A0A087Y8B6_POEFO Loading...

Carbonic anhydrase 6

Reversible hydration of carbon dioxide. Its role in saliva is unknown.

AlphaFold DB , UniProt , Accession A0A087Y8B6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 539 aa.

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(Predicted Aligned Error values between residue pairs)

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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	30.6	Very low	31.2	Very low	225 Å²	225	141.9 Å²	141.9	100%	1.108	84%	0.84	S	S	*	*				0	99.7	0	-81.1	162.8	55.8	0	0	106
2	E	34.4	Very low	31.2	Very low	171 Å²	171	143.8 Å²	143.8	80%	0.799	84%	0.842	S	S	*	*				63	131.9	85.4	-75.4	-161	171.5	0	0	110.6
3	I	31.7	Very low	31.2	Very low	129 Å²	129	142.7 Å²	142.7	66%	0.662	84%	0.838	S	S	*	*			cis	-170.7	164.1	22.9	-107.3	160.3	0	0	0	109.3
4	L	34.3	Very low	31.1	Very low	149 Å²	149	140 Å²	140	78%	0.78	83%	0.828	S	S	*	*			trans	-17.3	155.4	164.5	-66	88	0	0	0	122.4
5	S	30.5	Very low	31.2	Very low	111 Å²	111	141.9 Å²	141.9	78%	0.776	83%	0.832	S	S	*	*				169.3	116.7	110.5	43.6	0	0	0	0	110.8
6	A	30.9	Very low	31.4	Very low	97 Å²	97	140.7 Å²	140.7	80%	0.802	83%	0.827	S	S	*	*				82	115.2	85.3	0	0	0	0	0	114.4
7	F	30.8	Very low	31.4	Very low	216 Å²	216	142.3 Å²	142.3	95%	0.947	83%	0.831	S	S	*	*			trans	-116.5	136.7	170.7	-92	-82.4	0	0	0	110.5
8	V	31.4	Very low	31.5	Very low	141 Å²	141	139.3 Å²	139.3	86%	0.855	83%	0.825	S	S	*	*			trans	-105.3	145.2	-177.8	172.8	0	0	0	0	111.2
9	S	28.8	Very low	31.4	Very low	115 Å²	115	135.2 Å²	135.2	80%	0.804	82%	0.815	S	S	*	*			trans	-57.8	155.4	-175.7	-47.5	0	0	0	0	118
10	A	30.4	Very low	31.5	Very low	108 Å²	108	132.8 Å²	132.8	89%	0.893	81%	0.81	S	S	*	*			trans	-133.8	121.2	147.3	0	0	0	0	0	108.9
11	A	29.3	Very low	31.8	Very low	99 Å²	99	135.3 Å²	135.3	82%	0.818	81%	0.813	S	S	*	*			trans	-91.6	133.4	-176.9	0	0	0	0	0	111.1
12	L	31.5	Very low	32.4	Very low	165 Å²	165	130.1 Å²	130.1	86%	0.864	79%	0.794	S	S	*	*			trans	-102.1	120.4	167.5	-155.1	83.9	0	0	0	107.8	C14	L12-C14 PolarHBondContact O-N 3.4Å
13	V	31.4	Very low	33.8	Very low	129 Å²	129	128.3 Å²	128.3	78%	0.782	79%	0.79	S	S	*	*			trans	-78.2	107.7	178.7	172.9	0	0	0	0	108.9
14	C	30.2	Very low	36	Very low	105 Å²	105	126.5 Å²	126.5	71%	0.709	78%	0.78	S	S	*	*			trans	-89.4	111.4	159.3	-78.8	0	0	0	0	108.2	L12 V16	L12-C14 PolarHBondContact O-N 3.4Å; C14-V16 PolarHBondContact O-N 3.05Å
15	L	31.7	Very low	38.4	Very low	168 Å²	168	123.3 Å²	123.3	88%	0.88	76%	0.761	S	S	*	*			trans	-64.8	100.2	166.1	-83.1	151.5	0	0	0	108.5	N17	L15-N17 PolarHBondContact O-N 3.15Å
16	V	35	Very low	41.3	Very low	123 Å²	123	119.7 Å²	119.7	75%	0.745	73%	0.731	S	S	*	*			trans	-78.7	114.3	165.7	-176.5	0	0	0	0	106.7	C14 A18	C14-V16 PolarHBondContact O-N 3.05Å; V16-A18 VanDerWaalsContact C-N 3.31Å; V16-A18 PolarHBondContact O-N 3.15Å
17	N	31	Very low	44	Very low	168 Å²	168	117 Å²	117	90%	0.898	70%	0.704	S	S	*	*			trans	-68.3	95	167.4	-139.7	14.2	0	0	0	106.8	L15 G19	L15-N17 PolarHBondContact O-N 3.15Å; N17-G19 PolarHBondContact O-N 2.91Å
18	A	33.3	Very low	46.7	Very low	88 Å²	88	107.5 Å²	107.5	73%	0.727	66%	0.662	S	S	*	*			trans	-72.4	77.5	173.7	0	0	0	0	0	109	V16 A20	V16-A18 VanDerWaalsContact C-N 3.31Å; V16-A18 PolarHBondContact O-N 3.15Å; A18-A20 VanDerWaalsContact C-N 3.27Å; A18-A20 PolarHBondContact O-N 2.75Å; A18-A20 VanDerWaalsContact O-N 3.11Å
19	G	30.2	Very low	49	Very low	62 Å²	62	106.2 Å²	106.2	64%	0.639	65%	0.645	S	S	*	*			trans	-72.3	90.1	156.7	0	0	0	0	0	107.6	N17 H21	N17-G19 PolarHBondContact O-N 2.91Å; G19-H21 PolarHBondContact O-N 2.65Å
20	A	33.3	Very low	51.2	Low	87 Å²	87	107 Å²	107	72%	0.719	64%	0.636	S	S	*	*			trans	-67.6	84.3	166.8	0	0	0	0	0	108.2	A18 T22	A18-A20 VanDerWaalsContact C-N 3.27Å; A18-A20 PolarHBondContact O-N 2.75Å; A18-A20 VanDerWaalsContact O-N 3.11Å; A20-T22 PolarHBondContact O-N 3.35Å
21	H	36.4	Very low	53.5	Low	185 Å²	185	104.5 Å²	104.5	86%	0.856	62%	0.621	S	S	*	*			trans	-71.6	89.2	155.6	-92.2	-74.8	0	0	0	106.2	G19 D23	G19-H21 PolarHBondContact O-N 2.65Å; H21-D23 PolarHBondContact O-N 3.21Å
22	T	44.2	Very low	55.9	Low	116 Å²	116	103.4 Å²	103.4	71%	0.712	61%	0.612	S	S	*	*			trans	-62.4	102.6	163	39.9	0	0	0	0	106.8	A20 I24	A20-T22 PolarHBondContact O-N 3.35Å; T22-I24 PolarHBondContact O-N 2.95Å
23	D	64.5	Low	58.6	Low	134 Å²	134	95.8 Å²	95.8	72%	0.717	57%	0.572	S	S	*	*			trans	-66.9	101.1	178.7	-134	-16	0	0	0	107.5	H21 H25 K41	H21-D23 PolarHBondContact O-N 3.21Å; D23-H25 PolarHBondContact O-N 3Å; D23-H25 VanDerWaalsContact O-N 3.15Å; D23-K41 WeakPolarHBondContact OD1-CE 3.2Å; D23-K41 IonicContact OD1-NZ 3.22Å; D23-K41 PolarHBondContact OD1-NZ 3.42Å
24	I	76.1	Confident	61.3	Low	90 Å²	90	90.8 Å²	90.8	46%	0.462	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-58.6	121.8	-173.9	-60.1	171.6	0	0	0	108.8	T22 A32 L33 K41	T22-I24 PolarHBondContact O-N 2.95Å; I24-A32 HydrophobicContact CD1-CB 4.42Å; I24-A32 HydrophobicContact CG2-CB 4.39Å; I24-L33 HydrophobicContact CG2-CB 3.79Å; I24-L33 HydrophobicContact CG2-CD2 4.46Å; I24-L33 WeakPolarHBondContact O-CD2 3.2Å; I24-K41 PolarHBondContact O-NZ 3.24Å
25	H	85.1	Confident	64.3	Low	82 Å²	82	87.1 Å²	87.1	38%	0.38	51%	0.513	S	S	.	.	P	Polyproline II helix	trans	-73.8	142.4	176.5	-178.8	-95.2	0	0	0	109.9	D23 H88	D23-H25 PolarHBondContact O-N 3Å; D23-H25 VanDerWaalsContact O-N 3.15Å; H25-H88 AromaticContact CE1-CE1 3.17Å; H25-H88 PolarHBondContact CE1-CE1 2.88Å; H25-H88 AromaticContact CE1-NE2 3.05Å; H25-H88 PolarHBondContact CE1-NE2 3.16Å; H25-H88 AromaticContact NE2-CE1 3.67Å; H25-H88 AromaticContact NE2-NE2 3.04Å; H25-H88 PolarHBondContact NE2-NE2 3.01Å
26	W	91.4	Very high	67.1	Low	35 Å²	35	83.7 Å²	83.7	13%	0.133	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-83.7	153.6	179.6	66.4	-95.2	0	0	0	111	Y28 L33 W38 Y42 H88 T224 P225	W26-Y28 HydrophobicContact CH2-CE2 4.07Å; W26-Y28 HydrophobicContact CZ3-CD2 4.09Å; W26-Y28 HydrophobicContact CZ3-CE1 4.35Å; W26-Y28 AromaticContact CZ3-CE2 3.72Å; W26-Y28 HydrophobicContact CZ3-CE2 3.72Å; W26-Y28 AromaticContact CZ3-CZ 3.87Å; W26-L33 WeakPolarHBondContact CA-O 3.39Å; W26-L33 HydrophobicContact CB-CD2 3.98Å; W26-L33 HydrophobicContact CB-CG 4.15Å; W26-W38 AromaticContact CE3-CE2 3.85Å; W26-W38 AromaticContact CE3-CZ2 3.57Å; W26-W38 HydrophobicContact CE3-CZ2 3.57Å; W26-W38 AromaticContact CE3-NE1 3.85Å; W26-W38 HydrophobicContact CZ3-CH2 4.4Å; W26-W38 AromaticContact CZ3-CZ2 3.75Å; W26-W38 HydrophobicContact CZ3-CZ2 3.75Å; W26-Y42 HydrophobicContact CB-CE2 4.27Å; W26-H88 AromaticContact CD2-CE1 3.84Å; W26-H88 AromaticContact CE2-CE1 3.67Å; W26-H88 AromaticContact CE2-NE2 3.71Å; W26-H88 AromaticContact CE3-CE1 3.8Å; W26-H88 HydrophobicContact CH2-CB 3.95Å; W26-H88 AromaticContact CH2-CD2 3.91Å; W26-H88 AromaticContact CH2-CE1 3.47Å; W26-H88 VanDerWaalsContact CH2-CE1 3.47Å; W26-H88 WeakPolarHBondContact CH2-CE1 3.38Å; W26-H88 AromaticContact CH2-CG 3.42Å; W26-H88 VanDerWaalsContact CH2-CG 3.42Å; W26-H88 AromaticContact CH2-ND1 3.15Å; W26-H88 WeakPolarHBondContact CH2-ND1 3.39Å; W26-H88 AromaticContact CH2-NE2 3.93Å; W26-H88 HydrophobicContact CZ2-CB 4.39Å; W26-H88 AromaticContact CZ2-CD2 3.62Å; W26-H88 AromaticContact CZ2-CE1 3.5Å; W26-H88 AromaticContact CZ2-CG 3.64Å; W26-H88 AromaticContact CZ2-ND1 3.61Å; W26-H88 AromaticContact CZ2-NE2 3.52Å; W26-H88 AromaticContact CZ3-CE1 3.62Å; W26-H88 AromaticContact CZ3-ND1 3.4Å; W26-H88 WeakPolarHBondContact CZ3-ND1 3.09Å; W26-H88 PolarHBondContact O-CE1 3Å; W26-T224 HydrophobicContact CH2-CG2 3.74Å; W26-T224 HydrophobicContact CZ2-CG2 4.37Å; W26-T224 HydrophobicContact CZ3-CG2 4.34Å; W26-P225 HydrophobicContact CB-CG 4.11Å; W26-P225 HydrophobicContact CD2-CG 3.85Å; W26-P225 HydrophobicContact CE3-CG 4.24Å; W26-P225 HydrophobicContact CG-CB 4.24Å; W26-P225 HydrophobicContact CG-CG 3.77Å
27	T	88.9	Confident	69.9	Low	40 Å²	40	82 Å²	82	25%	0.245	48%	0.484	C	S	.	.			trans	-141.3	171	179.3	61.4	0	0	0	0	110.2	E30 L33 D34 Q35 W38	T27-E30 WeakPolarHBondContact CB-O 3.22Å; T27-E30 WeakPolarHBondContact CG2-O 3.43Å; T27-E30 PolarHBondContact OG1-O 3.15Å; T27-L33 PolarHBondContact N-O 3.13Å; T27-D34 CarbonylContact O-C 3.5Å; T27-D34 WeakPolarHBondContact O-CA 3.45Å; T27-Q35 PolarHBondContact O-N 3.23Å; T27-W38 WeakPolarHBondContact O-CZ2 3.44Å; T27-W38 PolarHBondContact O-NE1 2.91Å
28	Y	86.3	Confident	73	Confident	18 Å²	18	74 Å²	74	7%	0.071	44%	0.441	C	S	.	.	S	Bend	trans	-84.3	-42.6	176.6	-73.7	-79.8	0	0	0	114	W26 Q35 W38 T224 D265 Y266	W26-Y28 HydrophobicContact CH2-CE2 4.07Å; W26-Y28 HydrophobicContact CZ3-CD2 4.09Å; W26-Y28 HydrophobicContact CZ3-CE1 4.35Å; W26-Y28 AromaticContact CZ3-CE2 3.72Å; W26-Y28 HydrophobicContact CZ3-CE2 3.72Å; W26-Y28 AromaticContact CZ3-CZ 3.87Å; Y28-Q35 WeakPolarHBondContact O-CB 3.22Å; Y28-Q35 VanDerWaalsContact O-CG 3.23Å; Y28-Q35 WeakPolarHBondContact O-CG 3.48Å; Y28-Q35 PolarHBondContact O-N 3.31Å; Y28-Q35 PolarHBondContact O-NE2 3.47Å; Y28-W38 AromaticContact CD1-CH2 3.97Å; Y28-W38 HydrophobicContact CD1-CH2 3.97Å; Y28-W38 HydrophobicContact CD1-CZ2 4.01Å; Y28-W38 AromaticContact CE1-CH2 3.84Å; Y28-W38 HydrophobicContact CE1-CH2 3.84Å; Y28-W38 HydrophobicContact CE1-CZ2 4.18Å; Y28-T224 HydrophobicContact CE1-CG2 4.46Å; Y28-T224 WeakPolarHBondContact OH-CG2 3.45Å; Y28-D265 HydrophobicContact CD2-CB 4.22Å; Y28-D265 WeakPolarHBondContact CE1-O 3.23Å; Y28-D265 HydrophobicContact CE2-CB 3.84Å; Y28-D265 WeakPolarHBondContact CE2-O 3.48Å; Y28-D265 VanDerWaalsContact CZ-C 3.41Å; Y28-D265 PolarHBondContact OH-O 2.62Å; Y28-Y266 VanDerWaalsContact CD1-C 3.49Å; Y28-Y266 VanDerWaalsContact CD1-O 3.27Å; Y28-Y266 WeakPolarHBondContact CD1-O 3.42Å
29	K	79.1	Confident	76	Confident	114 Å²	114	72 Å²	72	50%	0.496	42%	0.424	S	S	.	.	S	Bend	trans	-124	-28.6	-170.7	-71.2	-173.2	176.2	-177.7	0	116	N264	K29-N264 HydrophobicContact CD-CB 4.29Å; K29-N264 VanDerWaalsContact CE-CB 3.47Å; K29-N264 PolarHBondContact NZ-ND2 3.06Å
30	E	75.6	Confident	79	Confident	130 Å²	130	74 Å²	74	61%	0.607	42%	0.424	S	S	*	.	S	Bend	trans	-130.5	144	-167.5	-64.7	-177	178.5	0	0	112.8	T27 K260	T27-E30 WeakPolarHBondContact CB-O 3.22Å; T27-E30 WeakPolarHBondContact CG2-O 3.43Å; T27-E30 PolarHBondContact OG1-O 3.15Å; E30-K260 IonicContact OE2-NZ 3.88Å; E30-K260 PolarHBondContact OE2-NZ 2.96Å
31	G	79.9	Confident	82	Confident	56 Å²	56	73.5 Å²	73.5	58%	0.577	41%	0.406	S	S	*	.	S	Bend	trans	101.6	177	174.7	0	0	0	0	0	113.8	L33	G31-L33 PolarHBondContact O-N 3.47Å; G31-L33 VanDerWaalsContact O-N 3.1Å
32	A	78.8	Confident	84.8	Confident	77 Å²	77	67.5 Å²	67.5	64%	0.636	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-10.8	-170.1	0	0	0	0	0	114.8	I24	I24-A32 HydrophobicContact CD1-CB 4.42Å; I24-A32 HydrophobicContact CG2-CB 4.39Å
33	L	88.1	Confident	87.3	Confident	5 Å²	5	66.9 Å²	66.9	3%	0.026	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	50.3	-179.3	-164.4	65.1	0	0	0	111.3	I24 W26 T27 G31 H37 W38 T40 K41 Y42	I24-L33 HydrophobicContact CG2-CB 3.79Å; I24-L33 HydrophobicContact CG2-CD2 4.46Å; I24-L33 WeakPolarHBondContact O-CD2 3.2Å; W26-L33 WeakPolarHBondContact CA-O 3.39Å; W26-L33 HydrophobicContact CB-CD2 3.98Å; W26-L33 HydrophobicContact CB-CG 4.15Å; T27-L33 PolarHBondContact N-O 3.13Å; G31-L33 PolarHBondContact O-N 3.47Å; G31-L33 VanDerWaalsContact O-N 3.1Å; L33-H37 WeakPolarHBondContact CD1-O 3.44Å; L33-W38 VanDerWaalsContact O-CD1 3.26Å; L33-W38 PolarHBondContact O-NE1 2.67Å; L33-T40 WeakPolarHBondContact CD1-OG1 3.45Å; L33-K41 HydrophobicContact CD1-CB 3.78Å; L33-K41 HydrophobicContact CD2-CB 4.04Å; L33-K41 HydrophobicContact CD2-CD 3.51Å; L33-K41 HydrophobicContact CD2-CG 4.4Å; L33-Y42 HydrophobicContact CD2-CE2 3.85Å
34	D	88.8	Confident	88.9	Confident	24 Å²	24	62.1 Å²	62.1	13%	0.128	35%	0.353	C	S	.	.			trans	-70.6	176.1	170.2	69.6	36.9	0	0	0	112.5	T27 T36 H37 W38	T27-D34 CarbonylContact O-C 3.5Å; T27-D34 WeakPolarHBondContact O-CA 3.45Å; D34-T36 PolarHBondContact O-N 2.83Å; D34-T36 VanDerWaalsContact O-N 3.16Å; D34-T36 WeakPolarHBondContact OD1-CA 3.4Å; D34-T36 WeakPolarHBondContact OD1-CB 3.28Å; D34-T36 PolarHBondContact OD1-N 2.75Å; D34-T36 PolarHBondContact OD1-OG1 3.18Å; D34-H37 VanDerWaalsContact CG-ND1 3.29Å; D34-H37 CarbonylContact O-C 3.57Å; D34-H37 WeakPolarHBondContact O-CA 3.46Å; D34-H37 PolarHBondContact O-N 2.98Å; D34-H37 IonicContact OD1-CE1 3.82Å; D34-H37 IonicContact OD1-CG 2.68Å; D34-H37 PolarHBondContact OD1-N 2.69Å; D34-H37 VanDerWaalsContact OD1-N 3.08Å; D34-H37 IonicContact OD1-ND1 3.59Å; D34-H37 PolarHBondContact OD1-ND1 2.9Å; D34-H37 IonicContact OD2-CE1 3.62Å; D34-H37 IonicContact OD2-ND1 3.55Å; D34-H37 PolarHBondContact OD2-ND1 2.98Å; D34-H37 VanDerWaalsContact OD2-ND1 3.16Å; D34-W38 VanDerWaalsContact C-CD1 3.4Å; D34-W38 PolarHBondContact O-N 3.28Å; D34-W38 PolarHBondContact O-NE1 3.18Å
35	Q	92	Very high	89.9	Confident	27 Å²	27	58.2 Å²	58.2	13%	0.126	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-27.1	-176.1	75	-179	-74.5	0	0	115.3	T27 Y28 H37 W38	T27-Q35 PolarHBondContact O-N 3.23Å; Y28-Q35 WeakPolarHBondContact O-CB 3.22Å; Y28-Q35 VanDerWaalsContact O-CG 3.23Å; Y28-Q35 WeakPolarHBondContact O-CG 3.48Å; Y28-Q35 PolarHBondContact O-N 3.31Å; Y28-Q35 PolarHBondContact O-NE2 3.47Å; Q35-H37 VanDerWaalsContact C-N 3.27Å; Q35-W38 HydrophobicContact CB-CD2 4.14Å; Q35-W38 HydrophobicContact CB-CE3 4.31Å; Q35-W38 HydrophobicContact CB-CH2 4.05Å; Q35-W38 HydrophobicContact CB-CZ2 3.84Å; Q35-W38 HydrophobicContact CB-CZ3 4.27Å
36	T	91.1	Very high	90.4	Very high	97 Å²	97	56.9 Å²	56.9	60%	0.595	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-22.1	175.9	68.7	0	0	0	0	111.5	D34	D34-T36 PolarHBondContact O-N 2.83Å; D34-T36 VanDerWaalsContact O-N 3.16Å; D34-T36 WeakPolarHBondContact OD1-CA 3.4Å; D34-T36 WeakPolarHBondContact OD1-CB 3.28Å; D34-T36 PolarHBondContact OD1-N 2.75Å; D34-T36 PolarHBondContact OD1-OG1 3.18Å
37	H	94.1	Very high	90.6	Very high	87 Å²	87	56.6 Å²	56.6	40%	0.403	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-3.2	-178.4	-61.3	100.9	0	0	0	114.3	L33 D34 Q35 A39 T40	L33-H37 WeakPolarHBondContact CD1-O 3.44Å; D34-H37 VanDerWaalsContact CG-ND1 3.29Å; D34-H37 CarbonylContact O-C 3.57Å; D34-H37 WeakPolarHBondContact O-CA 3.46Å; D34-H37 PolarHBondContact O-N 2.98Å; D34-H37 IonicContact OD1-CE1 3.82Å; D34-H37 IonicContact OD1-CG 2.68Å; D34-H37 PolarHBondContact OD1-N 2.69Å; D34-H37 VanDerWaalsContact OD1-N 3.08Å; D34-H37 IonicContact OD1-ND1 3.59Å; D34-H37 PolarHBondContact OD1-ND1 2.9Å; D34-H37 IonicContact OD2-CE1 3.62Å; D34-H37 IonicContact OD2-ND1 3.55Å; D34-H37 PolarHBondContact OD2-ND1 2.98Å; D34-H37 VanDerWaalsContact OD2-ND1 3.16Å; Q35-H37 VanDerWaalsContact C-N 3.27Å; H37-A39 PolarHBondContact O-N 2.93Å; H37-A39 VanDerWaalsContact O-N 3.07Å; H37-T40 HydrophobicContact CB-CG2 4.46Å; H37-T40 VanDerWaalsContact O-CB 3.32Å; H37-T40 WeakPolarHBondContact O-CB 3.22Å; H37-T40 VanDerWaalsContact O-CG2 3.31Å; H37-T40 WeakPolarHBondContact O-CG2 3.37Å; H37-T40 PolarHBondContact O-N 2.92Å; H37-T40 PolarHBondContact O-OG1 2.81Å
38	W	95.9	Very high	91	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-50.8	-38.4	-179.9	-74.5	-9.3	0	0	0	113.4	W26 T27 Y28 L33 D34 Q35 T40 K41 Y42 C45 T223 P225 R267	W26-W38 AromaticContact CE3-CE2 3.85Å; W26-W38 AromaticContact CE3-CZ2 3.57Å; W26-W38 HydrophobicContact CE3-CZ2 3.57Å; W26-W38 AromaticContact CE3-NE1 3.85Å; W26-W38 HydrophobicContact CZ3-CH2 4.4Å; W26-W38 AromaticContact CZ3-CZ2 3.75Å; W26-W38 HydrophobicContact CZ3-CZ2 3.75Å; T27-W38 WeakPolarHBondContact O-CZ2 3.44Å; T27-W38 PolarHBondContact O-NE1 2.91Å; Y28-W38 AromaticContact CD1-CH2 3.97Å; Y28-W38 HydrophobicContact CD1-CH2 3.97Å; Y28-W38 HydrophobicContact CD1-CZ2 4.01Å; Y28-W38 AromaticContact CE1-CH2 3.84Å; Y28-W38 HydrophobicContact CE1-CH2 3.84Å; Y28-W38 HydrophobicContact CE1-CZ2 4.18Å; L33-W38 VanDerWaalsContact O-CD1 3.26Å; L33-W38 PolarHBondContact O-NE1 2.67Å; D34-W38 VanDerWaalsContact C-CD1 3.4Å; D34-W38 PolarHBondContact O-N 3.28Å; D34-W38 PolarHBondContact O-NE1 3.18Å; Q35-W38 HydrophobicContact CB-CD2 4.14Å; Q35-W38 HydrophobicContact CB-CE3 4.31Å; Q35-W38 HydrophobicContact CB-CH2 4.05Å; Q35-W38 HydrophobicContact CB-CZ2 3.84Å; Q35-W38 HydrophobicContact CB-CZ3 4.27Å; W38-T40 PolarHBondContact O-N 2.98Å; W38-T40 VanDerWaalsContact O-N 3.1Å; W38-K41 PolarHBondContact O-N 3.31Å; W38-K41 VanDerWaalsContact O-N 3.17Å; W38-Y42 WeakPolarHBondContact O-CB 3.39Å; W38-Y42 PolarHBondContact O-N 3.39Å; W38-C45 HydrophobicContact CB-CB 3.93Å; W38-T223 VanDerWaalsContact CZ3-O 3.27Å; W38-T223 WeakPolarHBondContact CZ3-O 3.31Å; W38-P225 HydrophobicContact CB-CG 4.31Å; W38-P225 HydrophobicContact CD2-CG 3.43Å; W38-P225 VanDerWaalsContact CD2-CG 3.43Å; W38-P225 HydrophobicContact CE3-CG 3.85Å; W38-P225 HydrophobicContact CG-CG 3.65Å; W38-P225 HydrophobicContact CZ2-CG 4.28Å; W38-P225 HydrophobicContact CZ3-CG 4.41Å; W38-R267 HydrophobicContact CH2-CB 4.45Å; W38-R267 HydrophobicContact CH2-CG 4.16Å; W38-R267 HydrophobicContact CZ3-CB 4.46Å; W38-R267 HydrophobicContact CZ3-CG 3.8Å
39	A	95.3	Very high	91.5	Very high	44 Å²	44	65.3 Å²	65.3	36%	0.364	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-60	-21.5	-180	0	0	0	0	0	114.1	H37 K41 Y42 C45	H37-A39 PolarHBondContact O-N 2.93Å; H37-A39 VanDerWaalsContact O-N 3.07Å; A39-K41 VanDerWaalsContact C-N 3.33Å; A39-K41 PolarHBondContact O-N 3.49Å; A39-Y42 WeakPolarHBondContact CA-O 3.16Å; A39-C45 HydrophobicContact CB-CB 4.47Å
40	T	94.6	Very high	92.5	Very high	106 Å²	106	60.1 Å²	60.1	65%	0.65	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-66.3	-34.5	178.1	64.4	0	0	0	0	112.7	L33 H37 W38	L33-T40 WeakPolarHBondContact CD1-OG1 3.45Å; H37-T40 HydrophobicContact CB-CG2 4.46Å; H37-T40 VanDerWaalsContact O-CB 3.32Å; H37-T40 WeakPolarHBondContact O-CB 3.22Å; H37-T40 VanDerWaalsContact O-CG2 3.31Å; H37-T40 WeakPolarHBondContact O-CG2 3.37Å; H37-T40 PolarHBondContact O-N 2.92Å; H37-T40 PolarHBondContact O-OG1 2.81Å; W38-T40 PolarHBondContact O-N 2.98Å; W38-T40 VanDerWaalsContact O-N 3.1Å
41	K	95.5	Very high	93.6	Very high	76 Å²	76	53.9 Å²	53.9	33%	0.33	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-30.4	178.2	-169.3	177.3	-173.6	177.4	0	112.7	D23 I24 L33 W38 A39 P43	D23-K41 WeakPolarHBondContact OD1-CE 3.2Å; D23-K41 IonicContact OD1-NZ 3.22Å; D23-K41 PolarHBondContact OD1-NZ 3.42Å; I24-K41 PolarHBondContact O-NZ 3.24Å; L33-K41 HydrophobicContact CD1-CB 3.78Å; L33-K41 HydrophobicContact CD2-CB 4.04Å; L33-K41 HydrophobicContact CD2-CD 3.51Å; L33-K41 HydrophobicContact CD2-CG 4.4Å; W38-K41 PolarHBondContact O-N 3.31Å; W38-K41 VanDerWaalsContact O-N 3.17Å; A39-K41 VanDerWaalsContact C-N 3.33Å; A39-K41 PolarHBondContact O-N 3.49Å; K41-P43 WeakPolarHBondContact O-CD 3.28Å
42	Y	96.1	Very high	94.5	Very high	59 Å²	59	51.2 Å²	51.2	23%	0.231	31%	0.306	C	S	.	.			trans	-119.6	81.7	-178.5	-55.2	-77.3	0	0	0	109.4	W26 L33 W38 A39 A44 C45 P225 P226	W26-Y42 HydrophobicContact CB-CE2 4.27Å; L33-Y42 HydrophobicContact CD2-CE2 3.85Å; W38-Y42 WeakPolarHBondContact O-CB 3.39Å; W38-Y42 PolarHBondContact O-N 3.39Å; A39-Y42 WeakPolarHBondContact CA-O 3.16Å; Y42-A44 PolarHBondContact O-N 2.97Å; Y42-C45 VanDerWaalsContact O-CB 3.29Å; Y42-C45 WeakPolarHBondContact O-CB 3.34Å; Y42-C45 PolarHBondContact O-N 2.87Å; Y42-P225 HydrophobicContact CD1-CB 4.14Å; Y42-P225 HydrophobicContact CD2-CB 3.54Å; Y42-P225 HydrophobicContact CD2-CG 3.99Å; Y42-P225 HydrophobicContact CE1-CB 4.22Å; Y42-P225 HydrophobicContact CE2-CB 3.61Å; Y42-P225 HydrophobicContact CE2-CG 4.12Å; Y42-P225 HydrophobicContact CG-CB 3.8Å; Y42-P226 HydrophobicContact CD1-CB 3.88Å
43	P	96.4	Very high	95.4	Very high	103 Å²	103	47.6 Å²	47.6	67%	0.669	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-55.5	-29.8	-170.9	-29.2	35.9	0	0	0	114.9	K41 C45 G46	K41-P43 WeakPolarHBondContact O-CD 3.28Å; P43-C45 PolarHBondContact O-N 3.11Å; P43-G46 PolarHBondContact O-N 3.33Å
44	A	96.9	Very high	95.8	Very high	33 Å²	33	49.3 Å²	49.3	27%	0.273	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62	-23	176.2	0	0	0	0	0	113.2	Y42 G46 G47 Q50 P226 F228	Y42-A44 PolarHBondContact O-N 2.97Å; A44-G46 PolarHBondContact O-N 3.32Å; A44-G47 PolarHBondContact O-N 2.78Å; A44-Q50 PolarHBondContact O-NE2 2.61Å; A44-P226 VanDerWaalsContact CB-O 3.31Å; A44-P226 WeakPolarHBondContact CB-O 3.36Å; A44-F228 HydrophobicContact CB-CD1 4.1Å; A44-F228 HydrophobicContact CB-CE1 4.49Å
45	C	97.4	Very high	96.1	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.054	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-65.6	-17.7	173.1	-60.1	0	0	0	0	113.7	W38 A39 Y42 P43 G47 Q50 C227 R267	W38-C45 HydrophobicContact CB-CB 3.93Å; A39-C45 HydrophobicContact CB-CB 4.47Å; Y42-C45 VanDerWaalsContact O-CB 3.29Å; Y42-C45 WeakPolarHBondContact O-CB 3.34Å; Y42-C45 PolarHBondContact O-N 2.87Å; P43-C45 PolarHBondContact O-N 3.11Å; C45-G47 VanDerWaalsContact C-N 3.34Å; C45-Q50 PolarHBondContact O-OE1 3.04Å; C45-C227 VanDerWaalsContact CA-CB 3.42Å; C45-C227 VanDerWaalsContact CA-SG 3.57Å; C45-C227 HydrophobicContact CB-CB 3.67Å; C45-C227 WeakPolarHBondContact CB-SG 3.29Å; C45-C227 WeakPolarHBondContact SG-CB 3.29Å; C45-C227 CovalentContact SG-SG 2.04Å; C45-C227 PolarHBondContact SG-SG 2.81Å; C45-R267 PolarHBondContact O-NH2 3.47Å; C45-R267 VanDerWaalsContact O-NH2 3.16Å
46	G	96.3	Very high	96	Very high	55 Å²	55	49.8 Å²	49.8	57%	0.567	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-92	13.4	171.9	0	0	0	0	0	114.3	P43 A44	P43-G46 PolarHBondContact O-N 3.33Å; A44-G46 PolarHBondContact O-N 3.32Å
47	G	96.3	Very high	95.7	Very high	29 Å²	29	47.8 Å²	47.8	30%	0.299	27%	0.268	S	S	.	.			trans	-67.1	174.9	178.8	0	0	0	0	0	114.1	A44 C45 Q50 E229	A44-G47 PolarHBondContact O-N 2.78Å; C45-G47 VanDerWaalsContact C-N 3.34Å; G47-Q50 VanDerWaalsContact O-CG 3.32Å; G47-Q50 WeakPolarHBondContact O-CG 3.26Å; G47-E229 WeakPolarHBondContact CA-OE1 2.97Å
48	K	96.8	Very high	95.4	Very high	158 Å²	158	52 Å²	52	69%	0.687	28%	0.28	S	S	*	.	S	Bend	trans	-101.1	-10.4	-176.6	-67.8	-172.5	176.5	-173.7	0	114.1	E229 N273	K48-E229 PolarHBondContact N-OE1 3.22Å; K48-N273 PolarHBondContact O-ND2 3.42Å
49	K	97.5	Very high	95.1	Very high	83 Å²	83	57 Å²	57	36%	0.361	31%	0.307	S	S	.	.	S	Bend	trans	-111.5	40.9	175.8	-57.2	-174.6	170.3	-170	0	110.9	E219 G220 S221 E229 R275	K49-E219 IonicContact NZ-OE2 2.65Å; K49-E219 PolarHBondContact NZ-OE2 3.46Å; K49-G220 CarbonylContact O-C 3.4Å; K49-G220 WeakPolarHBondContact O-CA 3.46Å; K49-S221 PolarHBondContact O-N 2.94Å; K49-E229 WeakPolarHBondContact CA-OE1 3.42Å; K49-E229 HydrophobicContact CB-CB 4.34Å; K49-E229 HydrophobicContact CB-CG 4.13Å; K49-E229 PolarHBondContact N-OE1 2.99Å; K49-R275 VanDerWaalsContact C-NH1 3.26Å; K49-R275 HydrophobicContact CG-CG 4.44Å; K49-R275 PolarHBondContact O-NH1 3.05Å
50	Q	98.5	Very high	95.1	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.019	30%	0.296	C	S	.	.			trans	-74.7	156.6	-179	-65.2	-68	-69.1	0	0	112.6	A44 C45 G47 S221 C227 E229 R267 Q270 R275	A44-Q50 PolarHBondContact O-NE2 2.61Å; C45-Q50 PolarHBondContact O-OE1 3.04Å; G47-Q50 VanDerWaalsContact O-CG 3.32Å; G47-Q50 WeakPolarHBondContact O-CG 3.26Å; Q50-S221 WeakPolarHBondContact CA-OG 3.29Å; Q50-S221 PolarHBondContact OE1-OG 3.37Å; Q50-C227 PolarHBondContact NE2-O 3.48Å; Q50-C227 VanDerWaalsContact NE2-O 3.12Å; Q50-C227 VanDerWaalsContact OE1-CB 3.26Å; Q50-E229 PolarHBondContact NE2-OE1 3.21Å; Q50-R267 VanDerWaalsContact OE1-NH2 3.08Å; Q50-Q270 HydrophobicContact CB-CB 3.88Å; Q50-Q270 HydrophobicContact CB-CG 3.75Å; Q50-R275 VanDerWaalsContact O-CZ 3.32Å; Q50-R275 PolarHBondContact O-NH1 3.04Å; Q50-R275 PolarHBondContact O-NH2 3.17Å
51	S	98.8	Very high	95.2	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.29	C	S	.	.	S	Bend	trans	-124.5	159.1	174.4	-67.7	0	0	0	0	110.3	Y218 G220 S221 W233 R267	S51-Y218 WeakPolarHBondContact CB-OH 3.44Å; S51-Y218 WeakPolarHBondContact OG-CE2 3.41Å; S51-Y218 PolarHBondContact OG-OH 3.35Å; S51-G220 WeakPolarHBondContact OG-CA 3.28Å; S51-S221 WeakPolarHBondContact CB-O 3.41Å; S51-S221 PolarHBondContact N-OG 3.34Å; S51-S221 PolarHBondContact OG-N 2.8Å; S51-S221 VanDerWaalsContact OG-N 3.07Å; S51-W233 PolarHBondContact OG-NE1 2.76Å; S51-R267 WeakPolarHBondContact O-CD 3.21Å; S51-R267 PolarHBondContact O-NH1 3.45Å
52	P	98.4	Very high	95.3	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.288	C	S	.	.			cis	-74.4	177.7	-1.8	33.3	-37.7	0	0	0	112.3	E128 T223 Q270	P52-E128 VanDerWaalsContact CB-C 3.42Å; P52-E128 HydrophobicContact CB-CB 3.79Å; P52-E128 WeakPolarHBondContact CB-O 3.3Å; P52-E128 HydrophobicContact CG-CB 3.78Å; P52-E128 WeakPolarHBondContact CG-O 3.11Å; P52-T223 HydrophobicContact CB-CG2 4.5Å; P52-Q270 VanDerWaalsContact O-CB 3.3Å; P52-Q270 WeakPolarHBondContact O-CB 3.27Å; P52-Q270 PolarHBondContact O-N 2.97Å
53	I	98.3	Very high	95.3	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	29%	0.287	C	S	.	.			trans	-132.5	163.2	175.3	61.2	167.7	0	0	0	111	I55 T130 Y218 L272 V277	I53-I55 HydrophobicContact CD1-CG1 4.27Å; I53-I55 HydrophobicContact CG1-CG1 4.21Å; I53-T130 PolarHBondContact O-N 3.31Å; I53-Y218 HydrophobicContact CD1-CD1 3.88Å; I53-Y218 HydrophobicContact CD1-CD2 3.8Å; I53-Y218 HydrophobicContact CD1-CE1 3.85Å; I53-Y218 HydrophobicContact CD1-CE2 3.79Å; I53-Y218 HydrophobicContact CD1-CG 3.87Å; I53-Y218 HydrophobicContact CG1-CD1 4.46Å; I53-Y218 HydrophobicContact CG1-CD2 4.49Å; I53-Y218 HydrophobicContact CG1-CE1 3.92Å; I53-Y218 HydrophobicContact CG1-CE2 3.99Å; I53-Y218 HydrophobicContact CG2-CE2 4.14Å; I53-L272 HydrophobicContact CD1-CD1 3.69Å; I53-V277 HydrophobicContact CD1-CG2 3.55Å
54	D	96.5	Very high	95.1	Very high	41 Å²	41	58.4 Å²	58.4	22%	0.219	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	118.6	163.1	179.8	50.1	0	0	0	110.7	Q56 T130 G133	D54-Q56 PolarHBondContact O-N 2.82Å; D54-Q56 WeakPolarHBondContact OD2-CG 3.39Å; D54-Q56 PolarHBondContact OD2-NE2 2.77Å; D54-T130 VanDerWaalsContact CA-OG1 3.24Å; D54-T130 WeakPolarHBondContact CA-OG1 3.22Å; D54-T130 WeakPolarHBondContact CB-OG1 3.46Å; D54-T130 PolarHBondContact OD1-OG1 2.88Å; D54-G133 PolarHBondContact OD1-N 2.82Å
55	I	94.9	Very high	95	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	101.6	176.4	-60.2	173.1	0	0	0	108.4	I53 R57 V60 T130 I131 D132 F216 V235 V277	I53-I55 HydrophobicContact CD1-CG1 4.27Å; I53-I55 HydrophobicContact CG1-CG1 4.21Å; I55-R57 PolarHBondContact O-N 2.7Å; I55-V60 HydrophobicContact CG2-CG1 3.9Å; I55-T130 PolarHBondContact N-O 2.75Å; I55-I131 WeakPolarHBondContact O-CA 3.14Å; I55-D132 PolarHBondContact O-N 3.34Å; I55-F216 HydrophobicContact CD1-CB 4.04Å; I55-F216 HydrophobicContact CD1-CD2 3.94Å; I55-F216 HydrophobicContact CD1-CG 4.17Å; I55-F216 HydrophobicContact CG2-CB 4.42Å; I55-F216 HydrophobicContact CG2-CD1 3.86Å; I55-F216 HydrophobicContact CG2-CD2 3.9Å; I55-F216 HydrophobicContact CG2-CE1 4.05Å; I55-F216 HydrophobicContact CG2-CE2 4.07Å; I55-F216 HydrophobicContact CG2-CG 3.78Å; I55-F216 HydrophobicContact CG2-CZ 4.15Å; I55-V235 HydrophobicContact CD1-CB 3.8Å; I55-V235 HydrophobicContact CD1-CG1 3.86Å; I55-V235 HydrophobicContact CD1-CG2 3.97Å; I55-V277 HydrophobicContact CG2-CG1 4.32Å
56	Q	90.2	Very high	95	Very high	61 Å²	61	64 Å²	64	29%	0.285	31%	0.313	S	S	.	.			trans	-86	106.1	173.8	-65.2	-178.1	43.6	0	0	109.9	D54 R58 N59 V60 D132	D54-Q56 PolarHBondContact O-N 2.82Å; D54-Q56 WeakPolarHBondContact OD2-CG 3.39Å; D54-Q56 PolarHBondContact OD2-NE2 2.77Å; Q56-R58 HydrophobicContact CB-CG 4.26Å; Q56-R58 PolarHBondContact O-N 3.14Å; Q56-N59 HydrophobicContact CB-CB 4.21Å; Q56-N59 PolarHBondContact O-N 2.86Å; Q56-N59 PolarHBondContact OE1-ND2 2.83Å; Q56-N59 VanDerWaalsContact OE1-ND2 3.17Å; Q56-V60 WeakPolarHBondContact O-CG1 3.5Å; Q56-V60 PolarHBondContact O-N 2.77Å; Q56-D132 WeakPolarHBondContact CA-OD1 3.36Å
57	R	85.4	Confident	95	Very high	55 Å²	55	67.2 Å²	67.2	21%	0.208	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30	-177.1	-71	-173.2	179.3	107.5	-6.7	112.8	I55 N59 V60 I131 D132 F216 D237 P283	I55-R57 PolarHBondContact O-N 2.7Å; R57-N59 VanDerWaalsContact C-N 3.32Å; R57-N59 PolarHBondContact O-N 2.89Å; R57-V60 WeakPolarHBondContact O-CG2 3.19Å; R57-I131 HydrophobicContact CG-CG2 4.01Å; R57-D132 VanDerWaalsContact CD-OD2 3.23Å; R57-D132 WeakPolarHBondContact CD-OD2 3.21Å; R57-D132 VanDerWaalsContact CG-OD2 3.25Å; R57-D132 WeakPolarHBondContact CG-OD2 3.45Å; R57-D132 IonicContact CZ-OD2 2.84Å; R57-D132 PolarHBondContact N-OD1 3.49Å; R57-D132 IonicContact NE-OD2 3.16Å; R57-D132 IonicContact NH1-OD2 3.75Å; R57-D132 PolarHBondContact NH1-OD2 3.48Å; R57-F216 HydrophobicContact CG-CZ 4.04Å; R57-D237 IonicContact CZ-OD1 3.67Å; R57-D237 IonicContact NE-OD1 2.58Å; R57-D237 PolarHBondContact NE-OD1 2.84Å; R57-D237 IonicContact NH2-OD1 3.83Å; R57-D237 PolarHBondContact NH2-OD1 2.84Å; R57-P283 HydrophobicContact CB-CB 3.94Å; R57-P283 HydrophobicContact CG-CB 4.24Å
58	R	86.5	Confident	95.1	Very high	176 Å²	176	69.9 Å²	69.9	66%	0.664	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-23	175.3	61.2	169.8	-177	-171.9	-1	115.3	Q56 L285	Q56-R58 HydrophobicContact CB-CG 4.26Å; Q56-R58 PolarHBondContact O-N 3.14Å; R58-L285 HydrophobicContact CB-CD2 3.83Å
59	N	90.9	Very high	95.1	Very high	106 Å²	106	63.4 Å²	63.4	57%	0.567	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-6.5	-174	-66.1	-16.7	0	0	0	112.7	Q56 R57	Q56-N59 HydrophobicContact CB-CB 4.21Å; Q56-N59 PolarHBondContact O-N 2.86Å; Q56-N59 PolarHBondContact OE1-ND2 2.83Å; Q56-N59 VanDerWaalsContact OE1-ND2 3.17Å; R57-N59 VanDerWaalsContact C-N 3.32Å; R57-N59 PolarHBondContact O-N 2.89Å
60	V	94.8	Very high	95.1	Very high	20 Å²	20	63.6 Å²	63.6	12%	0.121	30%	0.296	C	S	.	.			trans	-70.9	145	178.1	-49.2	0	0	0	0	110.7	I55 Q56 R57 F216 V277 P283	I55-V60 HydrophobicContact CG2-CG1 3.9Å; Q56-V60 WeakPolarHBondContact O-CG1 3.5Å; Q56-V60 PolarHBondContact O-N 2.77Å; R57-V60 WeakPolarHBondContact O-CG2 3.19Å; V60-F216 HydrophobicContact CB-CD1 4.43Å; V60-F216 HydrophobicContact CG1-CD1 3.93Å; V60-F216 HydrophobicContact CG1-CE1 4.02Å; V60-F216 HydrophobicContact CG2-CD1 4.42Å; V60-F216 HydrophobicContact CG2-CE1 4.15Å; V60-V277 CarbonylContact C-O 3.55Å; V60-V277 VanDerWaalsContact CA-O 3.31Å; V60-V277 WeakPolarHBondContact CA-O 3.27Å; V60-V277 HydrophobicContact CB-CB 4.5Å; V60-V277 HydrophobicContact CB-CG1 4.45Å; V60-V277 HydrophobicContact CG1-CB 4.08Å; V60-V277 HydrophobicContact CG1-CG1 3.9Å; V60-P283 HydrophobicContact CG2-CG 3.43Å; V60-P283 VanDerWaalsContact CG2-CG 3.43Å
61	R	97.1	Very high	95.1	Very high	140 Å²	140	65.3 Å²	65.3	53%	0.528	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108.1	175.2	-175.4	174.2	73.6	-170	4.6	109.7	N63 V276 V277 E278 S279	R61-N63 PolarHBondContact O-N 3.28Å; R61-V276 HydrophobicContact CB-CG1 3.83Å; R61-V277 PolarHBondContact N-O 2.68Å; R61-E278 IonicContact CZ-OE1 2.84Å; R61-E278 IonicContact NE-OE1 2.8Å; R61-E278 PolarHBondContact NE-OE1 2.88Å; R61-E278 IonicContact NH2-OE1 2.99Å; R61-E278 PolarHBondContact NH2-OE1 2.79Å; R61-E278 CarbonylContact O-C 3.55Å; R61-E278 WeakPolarHBondContact O-CA 3.23Å; R61-S279 PolarHBondContact O-N 3.17Å
62	F	96.4	Very high	95	Very high	68 Å²	68	68 Å²	68	30%	0.298	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	124.6	171.8	175.6	-129.8	0	0	0	111	Q64 S279 F281 M282	F62-Q64 HydrophobicContact CD1-CG 3.89Å; F62-Q64 HydrophobicContact CE1-CB 4.37Å; F62-Q64 HydrophobicContact CE1-CG 3.13Å; F62-Q64 HydrophobicContact CE2-CG 4.41Å; F62-Q64 HydrophobicContact CZ-CB 4.33Å; F62-Q64 HydrophobicContact CZ-CG 3.45Å; F62-Q64 VanDerWaalsContact CZ-CG 3.45Å; F62-S279 WeakPolarHBondContact CA-OG 3.49Å; F62-S279 WeakPolarHBondContact CD2-O 3.5Å; F62-F281 VanDerWaalsContact CD2-O 3.22Å; F62-F281 WeakPolarHBondContact CD2-O 3.42Å; F62-F281 VanDerWaalsContact CE2-C 3.43Å; F62-M282 HydrophobicContact CD1-CE 3.67Å; F62-M282 HydrophobicContact CD1-CG 3.45Å; F62-M282 VanDerWaalsContact CD1-CG 3.45Å; F62-M282 HydrophobicContact CD1-SD 4.41Å; F62-M282 HydrophobicContact CD2-CG 4.27Å; F62-M282 HydrophobicContact CE1-CE 3.45Å; F62-M282 VanDerWaalsContact CE1-CE 3.45Å; F62-M282 HydrophobicContact CE1-CG 3.48Å; F62-M282 VanDerWaalsContact CE1-CG 3.48Å; F62-M282 HydrophobicContact CE1-SD 4.29Å; F62-M282 HydrophobicContact CE2-CG 4.34Å; F62-M282 HydrophobicContact CG-CG 3.84Å; F62-M282 HydrophobicContact CZ-CG 3.96Å
63	N	96.4	Very high	95	Very high	39 Å²	39	69 Å²	69	21%	0.209	34%	0.335	C	S	.	.			trans	-116.4	99.1	179.1	-179.1	-4	0	0	0	109.6	R61 N65 M66 E278 S279	R61-N63 PolarHBondContact O-N 3.28Å; N63-N65 PolarHBondContact O-N 3.03Å; N63-N65 VanDerWaalsContact O-N 3.15Å; N63-N65 PolarHBondContact OD1-N 2.8Å; N63-M66 HydrophobicContact CB-CB 4.19Å; N63-M66 HydrophobicContact CB-CE 4.15Å; N63-M66 WeakPolarHBondContact O-CB 3.16Å; N63-M66 PolarHBondContact O-N 3.43Å; N63-M66 PolarHBondContact OD1-N 2.84Å; N63-E278 HydrophobicContact CB-CB 4.42Å; N63-E278 PolarHBondContact ND2-OE1 2.87Å; N63-E278 PolarHBondContact ND2-OE2 3.44Å; N63-S279 PolarHBondContact N-O 3.14Å
64	Q	93.4	Very high	94.9	Very high	150 Å²	150	69.1 Å²	69.1	70%	0.701	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.4	179.3	-72.1	179	-12.2	0	0	114	F62	F62-Q64 HydrophobicContact CD1-CG 3.89Å; F62-Q64 HydrophobicContact CE1-CB 4.37Å; F62-Q64 HydrophobicContact CE1-CG 3.13Å; F62-Q64 HydrophobicContact CE2-CG 4.41Å; F62-Q64 HydrophobicContact CZ-CB 4.33Å; F62-Q64 HydrophobicContact CZ-CG 3.45Å; F62-Q64 VanDerWaalsContact CZ-CG 3.45Å
65	N	95.1	Very high	94.9	Very high	140 Å²	140	72.6 Å²	72.6	75%	0.749	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	5.4	-179.3	-59.4	-46.5	0	0	0	112.3	N63 L67	N63-N65 PolarHBondContact O-N 3.03Å; N63-N65 VanDerWaalsContact O-N 3.15Å; N63-N65 PolarHBondContact OD1-N 2.8Å; N65-L67 PolarHBondContact O-N 2.82Å; N65-L67 VanDerWaalsContact O-N 3.15Å
66	M	96.6	Very high	94.9	Very high	19 Å²	19	76.5 Å²	76.5	9%	0.094	37%	0.374	C	S	.	.			trans	-65.2	115.9	177.8	-171.3	173.7	-74.6	0	0	109.6	N63 F215 R217 E278 S280	N63-M66 HydrophobicContact CB-CB 4.19Å; N63-M66 HydrophobicContact CB-CE 4.15Å; N63-M66 WeakPolarHBondContact O-CB 3.16Å; N63-M66 PolarHBondContact O-N 3.43Å; N63-M66 PolarHBondContact OD1-N 2.84Å; M66-F215 HydrophobicContact CG-CE2 3.87Å; M66-F215 HydrophobicContact CG-CZ 3.98Å; M66-F215 HydrophobicContact SD-CD2 3.87Å; M66-F215 HydrophobicContact SD-CE2 3.21Å; M66-F215 WeakPolarHBondContact SD-CE2 3.33Å; M66-F215 HydrophobicContact SD-CZ 3.83Å; M66-R217 HydrophobicContact CE-CB 3.61Å; M66-R217 HydrophobicContact CE-CG 4.28Å; M66-R217 HydrophobicContact SD-CB 4.2Å; M66-E278 HydrophobicContact CE-CB 3.33Å; M66-E278 HydrophobicContact CE-CG 4.42Å; M66-S280 PolarHBondContact SD-N 2.92Å
67	L	96.7	Very high	95.1	Very high	122 Å²	122	76.2 Å²	76.2	64%	0.639	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-69.5	136.9	-179.5	-66.2	179.5	0	0	0	110.7	N65	N65-L67 PolarHBondContact O-N 2.82Å; N65-L67 VanDerWaalsContact O-N 3.15Å
68	Q	97.1	Very high	95.5	Very high	84 Å²	84	82.4 Å²	82.4	39%	0.393	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-66.6	149.1	172.3	-64.8	-61.1	-23.4	0	0	111	G103 S213	Q68-G103 WeakPolarHBondContact O-CA 3.48Å; Q68-S213 PolarHBondContact NE2-O 2.99Å; Q68-S213 VanDerWaalsContact NE2-O 3.13Å; Q68-S213 VanDerWaalsContact OE1-CA 3.22Å; Q68-S213 PolarHBondContact OE1-O 2.76Å
69	L	97.2	Very high	95.8	Very high	23 Å²	23	75.9 Å²	75.9	12%	0.12	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-76.4	133.2	178.2	-71.7	168.1	0	0	0	110.6	I100 K102 L104 L166 T234 F236	L69-I100 HydrophobicContact CD2-CG2 3.6Å; L69-K102 WeakPolarHBondContact CA-O 3.43Å; L69-L104 HydrophobicContact CD2-CG 4.18Å; L69-L166 HydrophobicContact CD1-CD2 3.73Å; L69-T234 HydrophobicContact CD1-CG2 3.8Å; L69-F236 HydrophobicContact CD1-CE1 4.34Å; L69-F236 HydrophobicContact CD1-CE2 4.4Å; L69-F236 HydrophobicContact CD1-CZ 3.59Å
70	E	97.5	Very high	96	Very high	86 Å²	86	76 Å²	76	40%	0.402	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.1	165.1	-71	-179.1	-171.5	0	0	108.7	I100 T101 K102	E70-I100 WeakPolarHBondContact O-CA 3.19Å; E70-T101 PolarHBondContact O-N 3.11Å; E70-T101 PolarHBondContact O-OG1 3.3Å; E70-K102 HydrophobicContact CB-CB 3.97Å; E70-K102 HydrophobicContact CB-CG 4.37Å; E70-K102 VanDerWaalsContact CD-CD 3.46Å; E70-K102 HydrophobicContact CG-CB 4.05Å; E70-K102 HydrophobicContact CG-CD 4.39Å; E70-K102 HydrophobicContact CG-CG 4.38Å; E70-K102 PolarHBondContact N-O 2.96Å; E70-K102 WeakPolarHBondContact OE1-CD 3.44Å; E70-K102 IonicContact OE1-NZ 2.75Å; E70-K102 PolarHBondContact OE1-NZ 3.41Å; E70-K102 VanDerWaalsContact OE2-CD 3.23Å; E70-K102 WeakPolarHBondContact OE2-CD 3.45Å; E70-K102 WeakPolarHBondContact OE2-CE 3.41Å; E70-K102 WeakPolarHBondContact OE2-CG 3.34Å; E70-K102 IonicContact OE2-NZ 2.91Å; E70-K102 PolarHBondContact OE2-NZ 3.04Å
71	L	98.1	Very high	96.1	Very high	41 Å²	41	75.7 Å²	75.7	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123	179.7	-54.8	-176.8	0	0	0	109.3	Y74 K99 I100 L166 L208 L212	L71-Y74 HydrophobicContact CB-CD2 3.75Å; L71-Y74 HydrophobicContact CB-CE2 4.15Å; L71-Y74 HydrophobicContact CB-CG 3.98Å; L71-Y74 HydrophobicContact CD1-CD1 4.05Å; L71-Y74 HydrophobicContact CD1-CE1 4.09Å; L71-Y74 HydrophobicContact CD1-CG 4.27Å; L71-Y74 HydrophobicContact CD2-CE2 4.28Å; L71-K99 WeakPolarHBondContact CA-O 3.2Å; L71-I100 HydrophobicContact CD2-CB 4.47Å; L71-I100 HydrophobicContact CD2-CG1 3.76Å; L71-L166 HydrophobicContact CD1-CD1 4.48Å; L71-L166 HydrophobicContact CD2-CD1 4.01Å; L71-L208 HydrophobicContact CD1-CD1 4.07Å; L71-L212 HydrophobicContact CD1-CD1 3.87Å
72	S	97.9	Very high	96.1	Very high	57 Å²	57	74.8 Å²	74.8	40%	0.399	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.7	176.9	174.1	0	0	0	0	110.1	Y74 M98 K99	S72-Y74 VanDerWaalsContact C-N 3.28Å; S72-Y74 PolarHBondContact O-N 3.42Å; S72-M98 CarbonylContact O-C 3.59Å; S72-M98 VanDerWaalsContact O-CA 3.3Å; S72-M98 WeakPolarHBondContact O-CA 3.43Å; S72-K99 PolarHBondContact N-O 2.86Å; S72-K99 PolarHBondContact O-N 2.85Å
73	G	97.1	Very high	96.2	Very high	21 Å²	21	71.6 Å²	71.6	22%	0.216	37%	0.369	C	S	.	.	S	Bend	trans	77.6	7.3	175.5	0	0	0	0	0	115.4	Q77 M98	G73-Q77 WeakPolarHBondContact O-CG 3.2Å; G73-Q77 PolarHBondContact O-NE2 2.77Å; G73-M98 WeakPolarHBondContact O-CE 3.5Å; G73-M98 WeakPolarHBondContact O-CG 3.31Å
74	Y	97.6	Very high	96.3	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.008	36%	0.364	C	S	.	.			trans	-80.1	-17.8	179.5	-90.1	-109.8	0	0	0	114.4	L71 S72 M98 V142 H144 V204 R205 L208	L71-Y74 HydrophobicContact CB-CD2 3.75Å; L71-Y74 HydrophobicContact CB-CE2 4.15Å; L71-Y74 HydrophobicContact CB-CG 3.98Å; L71-Y74 HydrophobicContact CD1-CD1 4.05Å; L71-Y74 HydrophobicContact CD1-CE1 4.09Å; L71-Y74 HydrophobicContact CD1-CG 4.27Å; L71-Y74 HydrophobicContact CD2-CE2 4.28Å; S72-Y74 VanDerWaalsContact C-N 3.28Å; S72-Y74 PolarHBondContact O-N 3.42Å; Y74-M98 HydrophobicContact CD2-CB 4.11Å; Y74-M98 HydrophobicContact CD2-CG 4.11Å; Y74-M98 HydrophobicContact CE2-CB 3.95Å; Y74-M98 HydrophobicContact CE2-CG 4.37Å; Y74-V142 HydrophobicContact CE1-CG1 4.43Å; Y74-V142 WeakPolarHBondContact OH-CG1 3.32Å; Y74-H144 AromaticContact CZ-NE2 3.76Å; Y74-H144 PolarHBondContact OH-CE1 3.32Å; Y74-H144 PolarHBondContact OH-NE2 2.94Å; Y74-V204 HydrophobicContact CD1-CB 3.84Å; Y74-V204 HydrophobicContact CD1-CG1 3.61Å; Y74-V204 HydrophobicContact CE1-CB 4.29Å; Y74-V204 HydrophobicContact CE1-CG1 3.65Å; Y74-V204 PolarHBondContact O-N 3.27Å; Y74-R205 WeakPolarHBondContact O-CB 3.44Å; Y74-R205 PolarHBondContact O-N 2.85Å; Y74-L208 HydrophobicContact CD1-CD1 4.32Å; Y74-L208 HydrophobicContact CE1-CD1 4.38Å
75	E	95.9	Very high	96.6	Very high	115 Å²	115	63.4 Å²	63.4	54%	0.537	33%	0.331	S	S	.	.	S	Bend	trans	-60.5	164.8	168.9	-54.9	-56.8	155.6	0	0	111.1	Q77	E75-Q77 WeakPolarHBondContact O-CG 2.99Å; E75-Q77 PolarHBondContact O-N 2.93Å; E75-Q77 PolarHBondContact O-NE2 2.91Å; E75-Q77 VanDerWaalsContact O-NE2 3.08Å
76	T	95.2	Very high	96.7	Very high	82 Å²	82	59.7 Å²	59.7	50%	0.503	31%	0.311	S	S	.	.			trans	-44.6	112.7	-177.6	-54.9	0	0	0	0	113.5	I202 A203	T76-I202 WeakPolarHBondContact CA-O 2.91Å; T76-A203 WeakPolarHBondContact OG1-CB 3.44Å
77	Q	94.2	Very high	96.6	Very high	54 Å²	54	59.1 Å²	59.1	25%	0.252	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.7	172.2	-60.4	-57.7	-58	0	0	109.4	G73 E75 F81 P95 M98 S201 I202	G73-Q77 WeakPolarHBondContact O-CG 3.2Å; G73-Q77 PolarHBondContact O-NE2 2.77Å; E75-Q77 WeakPolarHBondContact O-CG 2.99Å; E75-Q77 PolarHBondContact O-N 2.93Å; E75-Q77 PolarHBondContact O-NE2 2.91Å; E75-Q77 VanDerWaalsContact O-NE2 3.08Å; Q77-F81 HydrophobicContact CB-CE1 4.49Å; Q77-F81 HydrophobicContact CB-CE2 4.42Å; Q77-F81 HydrophobicContact CB-CZ 3.69Å; Q77-P95 HydrophobicContact CG-CG 4.47Å; Q77-M98 HydrophobicContact CG-CE 3.78Å; Q77-S201 CarbonylContact O-C 3.57Å; Q77-S201 WeakPolarHBondContact O-CA 3.47Å; Q77-S201 WeakPolarHBondContact O-CB 3.48Å; Q77-I202 HydrophobicContact CB-CG2 4.42Å; Q77-I202 PolarHBondContact N-O 2.78Å; Q77-I202 PolarHBondContact O-N 3.07Å
78	K	94.5	Very high	96.6	Very high	185 Å²	185	54.4 Å²	54.4	80%	0.804	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	141.4	168.1	-66.1	-174.9	-179.9	-177.5	0	109
79	G	92.9	Very high	96.6	Very high	40 Å²	40	50.8 Å²	50.8	41%	0.412	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	168.3	-152.6	-178.4	0	0	0	0	0	111.5	S200	G79-S200 PolarHBondContact N-O 3.02Å; G79-S200 CarbonylContact O-C 3.52Å; G79-S200 VanDerWaalsContact O-CA 3.28Å; G79-S200 WeakPolarHBondContact O-CA 3.17Å
80	N	94.1	Very high	96.6	Very high	108 Å²	108	49.7 Å²	49.7	58%	0.578	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.3	102.2	173.8	-173.1	4.8	0	0	0	108.1	N198	N80-N198 PolarHBondContact ND2-ND2 2.96Å; N80-N198 WeakPolarHBondContact OD1-CB 3.34Å; N80-N198 PolarHBondContact OD1-ND2 2.83Å; N80-N198 PolarHBondContact OD1-OD1 3.49Å; N80-N198 VanDerWaalsContact OD1-OD1 3.12Å
81	F	96.9	Very high	96.7	Very high	14 Å²	14	47.7 Å²	47.7	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.2	-179.6	-45.5	-83	0	0	0	108.7	Q77 I92 P95 N198 I199 I202	Q77-F81 HydrophobicContact CB-CE1 4.49Å; Q77-F81 HydrophobicContact CB-CE2 4.42Å; Q77-F81 HydrophobicContact CB-CZ 3.69Å; F81-I92 HydrophobicContact CB-CG2 4.24Å; F81-P95 HydrophobicContact CD1-CG 4.47Å; F81-P95 HydrophobicContact CE1-CB 4.02Å; F81-P95 HydrophobicContact CE1-CG 3.69Å; F81-N198 CarbonylContact O-C 3.54Å; F81-N198 WeakPolarHBondContact O-CA 3.17Å; F81-I199 HydrophobicContact CB-CD1 4.12Å; F81-I199 HydrophobicContact CB-CG1 3.64Å; F81-I199 HydrophobicContact CD2-CG1 4.19Å; F81-I199 WeakPolarHBondContact CD2-O 3.44Å; F81-I199 HydrophobicContact CG-CG1 4.38Å; F81-I199 PolarHBondContact N-O 3.04Å; F81-I199 WeakPolarHBondContact O-CG1 3.43Å; F81-I199 PolarHBondContact O-N 2.79Å; F81-I202 HydrophobicContact CD1-CG2 4.17Å; F81-I202 HydrophobicContact CD2-CB 4.15Å; F81-I202 HydrophobicContact CD2-CG2 3.84Å; F81-I202 HydrophobicContact CE1-CG2 4.07Å; F81-I202 HydrophobicContact CE2-CB 4.32Å; F81-I202 HydrophobicContact CE2-CG2 3.73Å; F81-I202 HydrophobicContact CG-CG2 4.07Å; F81-I202 HydrophobicContact CZ-CG2 3.85Å
82	R	98.3	Very high	96.7	Very high	120 Å²	120	46 Å²	46	45%	0.453	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	119.1	-175.3	-172.5	173.7	57.4	138.7	2.5	109.7	I92 D93 M197	R82-I92 WeakPolarHBondContact O-CA 3.34Å; R82-D93 HydrophobicContact CB-CB 4.48Å; R82-D93 IonicContact CZ-OD2 3.36Å; R82-D93 IonicContact NE-OD2 3.66Å; R82-D93 PolarHBondContact NE-OD2 3.4Å; R82-D93 IonicContact NH2-OD2 2.81Å; R82-D93 PolarHBondContact NH2-OD2 2.88Å; R82-D93 PolarHBondContact O-N 2.99Å; R82-M197 CarbonylContact C-O 3.59Å; R82-M197 WeakPolarHBondContact CA-O 3.4Å
83	M	98.4	Very high	96.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	121.5	173.4	-173	-178.4	176.9	0	0	108.3	V90 Q91 I92 F183 N186 L187 I190 S196 M197 I199	M83-V90 HydrophobicContact CE-CG2 3.51Å; M83-V90 HydrophobicContact CG-CG2 3.84Å; M83-Q91 CarbonylContact C-O 3.48Å; M83-Q91 VanDerWaalsContact CA-O 3.31Å; M83-Q91 WeakPolarHBondContact CA-O 3.46Å; M83-I92 HydrophobicContact CB-CG1 3.9Å; M83-I92 HydrophobicContact CG-CD1 4.13Å; M83-I92 HydrophobicContact CG-CG1 3.66Å; M83-I92 HydrophobicContact SD-CD1 4.35Å; M83-F183 HydrophobicContact CE-CD2 3.64Å; M83-F183 HydrophobicContact CE-CE2 3.6Å; M83-F183 HydrophobicContact CE-CG 4.42Å; M83-F183 HydrophobicContact CE-CZ 4.33Å; M83-F183 HydrophobicContact SD-CD2 4.48Å; M83-N186 HydrophobicContact CE-CB 4.18Å; M83-N186 HydrophobicContact SD-CB 3.85Å; M83-L187 HydrophobicContact CE-CD2 3.73Å; M83-L187 HydrophobicContact CE-CG 4.49Å; M83-I190 HydrophobicContact CE-CD1 3.98Å; M83-I190 HydrophobicContact CG-CD1 3.76Å; M83-I190 HydrophobicContact SD-CD1 4.28Å; M83-S196 CarbonylContact O-C 3.58Å; M83-S196 VanDerWaalsContact O-CA 3.25Å; M83-S196 WeakPolarHBondContact O-CA 3.47Å; M83-M197 HydrophobicContact CB-CG 4.08Å; M83-M197 PolarHBondContact N-O 3.18Å; M83-M197 PolarHBondContact O-N 2.82Å; M83-I199 HydrophobicContact SD-CG2 4.41Å
84	T	98.6	Very high	96.8	Very high	17 Å²	17	45 Å²	45	10%	0.104	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.9	-170.5	-53.7	0	0	0	0	110.1	N86 V90 Q91 Q195 S196	T84-N86 HydrophobicContact CG2-CB 4.44Å; T84-V90 CarbonylContact O-C 3.54Å; T84-V90 WeakPolarHBondContact O-CA 3.21Å; T84-Q91 PolarHBondContact N-O 3.4Å; T84-Q91 PolarHBondContact O-N 3.05Å; T84-Q195 WeakPolarHBondContact CA-O 3.17Å; T84-S196 WeakPolarHBondContact CG2-OG 3.19Å; T84-S196 PolarHBondContact OG1-OG 2.85Å
85	N	98.6	Very high	96.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	111.2	158.3	174.5	-2.1	0	0	0	106.8	G87 I190 K191 Y192 A193 G194 Q195 L254 M255	N85-G87 VanDerWaalsContact C-N 3.33Å; N85-G87 WeakPolarHBondContact OD1-CA 3.23Å; N85-G87 PolarHBondContact OD1-N 2.96Å; N85-I190 HydrophobicContact CB-CB 4.29Å; N85-I190 HydrophobicContact CB-CD1 4.29Å; N85-I190 HydrophobicContact CB-CG1 4.44Å; N85-I190 WeakPolarHBondContact CB-O 3.32Å; N85-I190 PolarHBondContact ND2-O 3.44Å; N85-K191 PolarHBondContact ND2-O 2.95Å; N85-Y192 VanDerWaalsContact ND2-C 3.33Å; N85-A193 PolarHBondContact ND2-N 2.79Å; N85-G194 WeakPolarHBondContact O-CA 3.49Å; N85-G194 PolarHBondContact O-N 2.95Å; N85-Q195 PolarHBondContact N-O 2.83Å; N85-L254 HydrophobicContact CB-CD2 4.38Å; N85-M255 PolarHBondContact ND2-O 3.08Å
86	N	96.9	Very high	96.7	Very high	63 Å²	63	45 Å²	45	34%	0.337	24%	0.239	S	C	.	.			trans	-93.6	8.5	-178	67.3	17	0	0	0	113.2	T84 H88 T89	T84-N86 HydrophobicContact CG2-CB 4.44Å; N86-H88 VanDerWaalsContact C-N 3.26Å; N86-H88 WeakPolarHBondContact OD1-CA 3.25Å; N86-H88 WeakPolarHBondContact OD1-CB 3.44Å; N86-H88 PolarHBondContact OD1-N 2.81Å; N86-T89 PolarHBondContact N-O 3.42Å; N86-T89 VanDerWaalsContact N-O 3.09Å; N86-T89 WeakPolarHBondContact ND2-CG2 2.93Å; N86-T89 PolarHBondContact OD1-N 2.8Å; N86-T89 PolarHBondContact OD1-O 2.87Å
87	G	95.6	Very high	96.8	Very high	6 Å²	6	43.5 Å²	43.5	6%	0.062	23%	0.232	C	C	.	.	S	Bend	trans	85.2	-9.7	-175.4	0	0	0	0	0	114.5	N85	N85-G87 VanDerWaalsContact C-N 3.33Å; N85-G87 WeakPolarHBondContact OD1-CA 3.23Å; N85-G87 PolarHBondContact OD1-N 2.96Å
88	H	95.1	Very high	97	Very high	24 Å²	24	41 Å²	41	11%	0.111	22%	0.22	C	C	.	.	S	Bend	trans	-123.1	-17.5	179.5	-64.1	-74.1	0	0	0	113.9	H25 W26 N86 D265	H25-H88 AromaticContact CE1-CE1 3.17Å; H25-H88 PolarHBondContact CE1-CE1 2.88Å; H25-H88 AromaticContact CE1-NE2 3.05Å; H25-H88 PolarHBondContact CE1-NE2 3.16Å; H25-H88 AromaticContact NE2-CE1 3.67Å; H25-H88 AromaticContact NE2-NE2 3.04Å; H25-H88 PolarHBondContact NE2-NE2 3.01Å; W26-H88 AromaticContact CD2-CE1 3.84Å; W26-H88 AromaticContact CE2-CE1 3.67Å; W26-H88 AromaticContact CE2-NE2 3.71Å; W26-H88 AromaticContact CE3-CE1 3.8Å; W26-H88 HydrophobicContact CH2-CB 3.95Å; W26-H88 AromaticContact CH2-CD2 3.91Å; W26-H88 AromaticContact CH2-CE1 3.47Å; W26-H88 VanDerWaalsContact CH2-CE1 3.47Å; W26-H88 WeakPolarHBondContact CH2-CE1 3.38Å; W26-H88 AromaticContact CH2-CG 3.42Å; W26-H88 VanDerWaalsContact CH2-CG 3.42Å; W26-H88 AromaticContact CH2-ND1 3.15Å; W26-H88 WeakPolarHBondContact CH2-ND1 3.39Å; W26-H88 AromaticContact CH2-NE2 3.93Å; W26-H88 HydrophobicContact CZ2-CB 4.39Å; W26-H88 AromaticContact CZ2-CD2 3.62Å; W26-H88 AromaticContact CZ2-CE1 3.5Å; W26-H88 AromaticContact CZ2-CG 3.64Å; W26-H88 AromaticContact CZ2-ND1 3.61Å; W26-H88 AromaticContact CZ2-NE2 3.52Å; W26-H88 AromaticContact CZ3-CE1 3.62Å; W26-H88 AromaticContact CZ3-ND1 3.4Å; W26-H88 WeakPolarHBondContact CZ3-ND1 3.09Å; W26-H88 PolarHBondContact O-CE1 3Å; N86-H88 VanDerWaalsContact C-N 3.26Å; N86-H88 WeakPolarHBondContact OD1-CA 3.25Å; N86-H88 WeakPolarHBondContact OD1-CB 3.44Å; N86-H88 PolarHBondContact OD1-N 2.81Å; H88-D265 WeakPolarHBondContact O-CB 3.23Å; H88-D265 VanDerWaalsContact O-OD2 3.13Å
89	T	97.7	Very high	97.2	Very high	7 Å²	7	35 Å²	35	4%	0.043	19%	0.194	C	C	.	.			trans	-170	170.5	178.5	174	0	0	0	0	108.4	N86 H114 L115	N86-T89 PolarHBondContact N-O 3.42Å; N86-T89 VanDerWaalsContact N-O 3.09Å; N86-T89 WeakPolarHBondContact ND2-CG2 2.93Å; N86-T89 PolarHBondContact OD1-N 2.8Å; N86-T89 PolarHBondContact OD1-O 2.87Å; T89-H114 HydrophobicContact CG2-CB 3.91Å; T89-L115 PolarHBondContact OG1-N 3.36Å; T89-L115 PolarHBondContact OG1-O 2.73Å
90	V	98.2	Very high	97.5	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.8	152.9	55.3	0	0	0	0	110.9	M83 T84 H114 L115 W117 F183 L187 I190 L254	M83-V90 HydrophobicContact CE-CG2 3.51Å; M83-V90 HydrophobicContact CG-CG2 3.84Å; T84-V90 CarbonylContact O-C 3.54Å; T84-V90 WeakPolarHBondContact O-CA 3.21Å; V90-H114 VanDerWaalsContact O-CA 3.29Å; V90-H114 WeakPolarHBondContact O-CA 3.49Å; V90-H114 WeakPolarHBondContact O-CB 3.49Å; V90-L115 HydrophobicContact CG1-CD1 4.37Å; V90-W117 HydrophobicContact CG1-CH2 4.13Å; V90-W117 HydrophobicContact CG1-CZ3 3.96Å; V90-F183 HydrophobicContact CG1-CE2 4.21Å; V90-F183 HydrophobicContact CG1-CZ 3.68Å; V90-F183 HydrophobicContact CG2-CE2 4.16Å; V90-F183 HydrophobicContact CG2-CZ 4.41Å; V90-L187 HydrophobicContact CB-CD2 4.3Å; V90-L187 HydrophobicContact CG1-CD2 4.06Å; V90-L187 HydrophobicContact CG2-CD2 4.21Å; V90-I190 HydrophobicContact CG2-CD1 3.77Å; V90-L254 HydrophobicContact CB-CD1 3.71Å; V90-L254 HydrophobicContact CG1-CD1 4.06Å
91	Q	98.5	Very high	97.6	Very high	44 Å²	44	30.5 Å²	30.5	21%	0.206	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	139.3	179.1	-177.3	-174.3	-68.1	0	0	110.4	M83 T84 D93 Q112 M113 H114	M83-Q91 CarbonylContact C-O 3.48Å; M83-Q91 VanDerWaalsContact CA-O 3.31Å; M83-Q91 WeakPolarHBondContact CA-O 3.46Å; T84-Q91 PolarHBondContact N-O 3.4Å; T84-Q91 PolarHBondContact O-N 3.05Å; Q91-D93 PolarHBondContact NE2-OD1 3.07Å; Q91-Q112 HydrophobicContact CG-CB 3.77Å; Q91-Q112 HydrophobicContact CG-CG 4.09Å; Q91-M113 CarbonylContact C-O 3.32Å; Q91-M113 WeakPolarHBondContact CA-O 3.3Å; Q91-H114 HydrophobicContact CB-CB 4.34Å
92	I	98.4	Very high	97.7	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.8	170.8	-63.9	168.5	0	0	0	109.7	F81 R82 M83 L94 Q112 M113 F183 I199 I202	F81-I92 HydrophobicContact CB-CG2 4.24Å; R82-I92 WeakPolarHBondContact O-CA 3.34Å; M83-I92 HydrophobicContact CB-CG1 3.9Å; M83-I92 HydrophobicContact CG-CD1 4.13Å; M83-I92 HydrophobicContact CG-CG1 3.66Å; M83-I92 HydrophobicContact SD-CD1 4.35Å; I92-L94 HydrophobicContact CG2-CD2 4.37Å; I92-L94 PolarHBondContact O-N 2.97Å; I92-Q112 CarbonylContact O-C 3.39Å; I92-Q112 WeakPolarHBondContact O-CA 3.44Å; I92-Q112 WeakPolarHBondContact O-CB 3.1Å; I92-M113 HydrophobicContact CB-CE 4.16Å; I92-M113 HydrophobicContact CB-CG 4.14Å; I92-M113 HydrophobicContact CD1-CE 3.51Å; I92-M113 HydrophobicContact CG1-CE 4.36Å; I92-M113 HydrophobicContact CG2-CE 4.47Å; I92-M113 PolarHBondContact N-O 2.68Å; I92-M113 PolarHBondContact O-N 3.08Å; I92-F183 HydrophobicContact CD1-CD2 3.71Å; I92-F183 HydrophobicContact CD1-CE2 3.82Å; I92-I199 HydrophobicContact CD1-CD1 4.14Å; I92-I199 HydrophobicContact CG2-CD1 4.03Å; I92-I202 HydrophobicContact CG2-CD1 3.77Å
93	D	98.4	Very high	97.6	Very high	43 Å²	43	29.8 Å²	29.8	23%	0.23	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	124.2	175.1	-65.1	-17	0	0	0	109.8	R82 Q91	R82-D93 HydrophobicContact CB-CB 4.48Å; R82-D93 IonicContact CZ-OD2 3.36Å; R82-D93 IonicContact NE-OD2 3.66Å; R82-D93 PolarHBondContact NE-OD2 3.4Å; R82-D93 IonicContact NH2-OD2 2.81Å; R82-D93 PolarHBondContact NH2-OD2 2.88Å; R82-D93 PolarHBondContact O-N 2.99Å; Q91-D93 PolarHBondContact NE2-OD1 3.07Å
94	L	98.1	Very high	97.6	Very high	14 Å²	14	30.7 Å²	30.7	7%	0.073	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-101.4	147	-176.2	-65.6	-178.5	0	0	0	111.8	I92 M98 A110 V111 M113 V142 I202 V204	I92-L94 HydrophobicContact CG2-CD2 4.37Å; I92-L94 PolarHBondContact O-N 2.97Å; L94-M98 HydrophobicContact CB-SD 4.27Å; L94-M98 HydrophobicContact CD1-SD 4.3Å; L94-M98 HydrophobicContact CD2-SD 3.99Å; L94-M98 HydrophobicContact CG-SD 4.42Å; L94-A110 HydrophobicContact CB-CB 4.03Å; L94-A110 HydrophobicContact CD1-CB 4.06Å; L94-V111 PolarHBondContact N-O 3.49Å; L94-M113 HydrophobicContact CD1-CB 4.09Å; L94-M113 HydrophobicContact CD1-CG 4.32Å; L94-M113 HydrophobicContact CD2-CG 4.34Å; L94-M113 HydrophobicContact CD2-SD 4.3Å; L94-M113 HydrophobicContact CG-CG 4.47Å; L94-V142 HydrophobicContact CD1-CG1 3.69Å; L94-I202 HydrophobicContact CD2-CD1 3.88Å; L94-V204 HydrophobicContact CD2-CG2 3.93Å
95	P	96.8	Very high	97.4	Very high	21 Å²	21	35 Å²	35	14%	0.136	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-76.2	152.5	-176.7	32.7	-36.4	0	0	0	112.1	Q77 F81 S97 M98	Q77-P95 HydrophobicContact CG-CG 4.47Å; F81-P95 HydrophobicContact CD1-CG 4.47Å; F81-P95 HydrophobicContact CE1-CB 4.02Å; F81-P95 HydrophobicContact CE1-CG 3.69Å; P95-S97 WeakPolarHBondContact CG-OG 3.44Å; P95-S97 PolarHBondContact O-N 3.46Å; P95-M98 HydrophobicContact CG-CE 4.1Å; P95-M98 HydrophobicContact CG-CG 4.08Å; P95-M98 HydrophobicContact CG-SD 4.14Å; P95-M98 PolarHBondContact O-N 3.44Å
96	P	96.2	Very high	97.2	Very high	95 Å²	95	35.7 Å²	35.7	62%	0.617	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.3	177.5	29.9	-36.7	0	0	0	114	M98 K99 T109	P96-M98 VanDerWaalsContact C-N 3.29Å; P96-K99 WeakPolarHBondContact O-CE 3.35Å; P96-T109 HydrophobicContact CB-CG2 3.96Å
97	S	96.4	Very high	97.3	Very high	52 Å²	52	35.4 Å²	35.4	36%	0.364	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.7	170.3	53.2	0	0	0	0	112.7	P95	P95-S97 WeakPolarHBondContact CG-OG 3.44Å; P95-S97 PolarHBondContact O-N 3.46Å
98	M	98.4	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.199	C	C	.	.			trans	-81.6	120.5	176	-76.6	178.5	-171.7	0	0	110.8	S72 G73 Y74 Q77 L94 P95 P96 A110 I202 V204	S72-M98 CarbonylContact O-C 3.59Å; S72-M98 VanDerWaalsContact O-CA 3.3Å; S72-M98 WeakPolarHBondContact O-CA 3.43Å; G73-M98 WeakPolarHBondContact O-CE 3.5Å; G73-M98 WeakPolarHBondContact O-CG 3.31Å; Y74-M98 HydrophobicContact CD2-CB 4.11Å; Y74-M98 HydrophobicContact CD2-CG 4.11Å; Y74-M98 HydrophobicContact CE2-CB 3.95Å; Y74-M98 HydrophobicContact CE2-CG 4.37Å; Q77-M98 HydrophobicContact CG-CE 3.78Å; L94-M98 HydrophobicContact CB-SD 4.27Å; L94-M98 HydrophobicContact CD1-SD 4.3Å; L94-M98 HydrophobicContact CD2-SD 3.99Å; L94-M98 HydrophobicContact CG-SD 4.42Å; P95-M98 HydrophobicContact CG-CE 4.1Å; P95-M98 HydrophobicContact CG-CG 4.08Å; P95-M98 HydrophobicContact CG-SD 4.14Å; P95-M98 PolarHBondContact O-N 3.44Å; P96-M98 VanDerWaalsContact C-N 3.29Å; M98-A110 HydrophobicContact CB-CB 3.64Å; M98-A110 WeakPolarHBondContact O-CB 3.49Å; M98-A110 PolarHBondContact O-N 2.64Å; M98-I202 HydrophobicContact CE-CG2 3.93Å; M98-V204 HydrophobicContact CE-CB 4.39Å; M98-V204 HydrophobicContact CE-CG2 3.78Å; M98-V204 HydrophobicContact SD-CG2 3.94Å
99	K	98.5	Very high	97.6	Very high	59 Å²	59	34.1 Å²	34.1	26%	0.257	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	147.7	-173	-57.7	-173.6	172.1	-169.3	0	112.9	L71 S72 P96 T101 Q107 F108 T109	L71-K99 WeakPolarHBondContact CA-O 3.2Å; S72-K99 PolarHBondContact N-O 2.86Å; S72-K99 PolarHBondContact O-N 2.85Å; P96-K99 WeakPolarHBondContact O-CE 3.35Å; K99-T101 HydrophobicContact CB-CG2 4.21Å; K99-Q107 HydrophobicContact CD-CG 4.18Å; K99-Q107 VanDerWaalsContact CD-OE1 3.27Å; K99-F108 CarbonylContact C-O 3.41Å; K99-F108 VanDerWaalsContact CA-O 3.23Å; K99-F108 WeakPolarHBondContact CA-O 3.47Å; K99-T109 WeakPolarHBondContact CE-OG1 3.3Å; K99-T109 HydrophobicContact CG-CG2 4.44Å
100	I	98.6	Very high	97.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	115.1	160.1	-55.3	169.1	0	0	0	106.8	L69 E70 L71 K102 L104 Q107 F108 L166	L69-I100 HydrophobicContact CD2-CG2 3.6Å; E70-I100 WeakPolarHBondContact O-CA 3.19Å; L71-I100 HydrophobicContact CD2-CB 4.47Å; L71-I100 HydrophobicContact CD2-CG1 3.76Å; I100-K102 VanDerWaalsContact CG2-O 3.28Å; I100-K102 WeakPolarHBondContact CG2-O 3.48Å; I100-L104 HydrophobicContact CB-CD1 4.39Å; I100-L104 HydrophobicContact CD1-CD1 3.65Å; I100-L104 HydrophobicContact CG2-CD1 3.95Å; I100-L104 HydrophobicContact CG2-CG 4.27Å; I100-Q107 WeakPolarHBondContact O-CA 3.34Å; I100-F108 HydrophobicContact CB-CB 4.24Å; I100-F108 HydrophobicContact CD1-CB 4.31Å; I100-F108 PolarHBondContact N-O 3.23Å; I100-F108 PolarHBondContact O-N 3.44Å; I100-F108 VanDerWaalsContact O-N 3.11Å; I100-L166 HydrophobicContact CD1-CD1 4.18Å; I100-L166 HydrophobicContact CD1-CD2 3.95Å; I100-L166 HydrophobicContact CD1-CG 4.11Å
101	T	98.1	Very high	97.7	Very high	54 Å²	54	35.8 Å²	35.8	33%	0.331	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-21.5	-175.4	52.2	0	0	0	0	113.4	E70 K99	E70-T101 PolarHBondContact O-N 3.11Å; E70-T101 PolarHBondContact O-OG1 3.3Å; K99-T101 HydrophobicContact CB-CG2 4.21Å
102	K	97.7	Very high	97.7	Very high	112 Å²	112	35 Å²	35	49%	0.487	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164	171.8	-60.5	-166.2	-161.4	137.7	0	111.3	L69 E70 I100	L69-K102 WeakPolarHBondContact CA-O 3.43Å; E70-K102 HydrophobicContact CB-CB 3.97Å; E70-K102 HydrophobicContact CB-CG 4.37Å; E70-K102 VanDerWaalsContact CD-CD 3.46Å; E70-K102 HydrophobicContact CG-CB 4.05Å; E70-K102 HydrophobicContact CG-CD 4.39Å; E70-K102 HydrophobicContact CG-CG 4.38Å; E70-K102 PolarHBondContact N-O 2.96Å; E70-K102 WeakPolarHBondContact OE1-CD 3.44Å; E70-K102 IonicContact OE1-NZ 2.75Å; E70-K102 PolarHBondContact OE1-NZ 3.41Å; E70-K102 VanDerWaalsContact OE2-CD 3.23Å; E70-K102 WeakPolarHBondContact OE2-CD 3.45Å; E70-K102 WeakPolarHBondContact OE2-CE 3.41Å; E70-K102 WeakPolarHBondContact OE2-CG 3.34Å; E70-K102 IonicContact OE2-NZ 2.91Å; E70-K102 PolarHBondContact OE2-NZ 3.04Å; I100-K102 VanDerWaalsContact CG2-O 3.28Å; I100-K102 WeakPolarHBondContact CG2-O 3.48Å
103	G	96.6	Very high	97.7	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	20%	0.2	C	C	.	.	S	Bend	trans	98.3	-7.5	179.8	0	0	0	0	0	114.9	Q68 R217	Q68-G103 WeakPolarHBondContact O-CA 3.48Å; G103-R217 PolarHBondContact O-NH1 3.3Å; G103-R217 VanDerWaalsContact O-NH1 3.15Å
104	L	97.3	Very high	97.7	Very high	20 Å²	20	33.6 Å²	33.6	11%	0.105	19%	0.193	C	C	.	.	S	Bend	trans	-130.1	163.7	176.6	-69	176.4	0	0	0	111.1	L69 I100 G106 F108 A164 R217 I232	L69-L104 HydrophobicContact CD2-CG 4.18Å; I100-L104 HydrophobicContact CB-CD1 4.39Å; I100-L104 HydrophobicContact CD1-CD1 3.65Å; I100-L104 HydrophobicContact CG2-CD1 3.95Å; I100-L104 HydrophobicContact CG2-CG 4.27Å; L104-G106 PolarHBondContact O-N 3.03Å; L104-F108 HydrophobicContact CB-CD2 3.85Å; L104-F108 HydrophobicContact CB-CE2 3.66Å; L104-F108 HydrophobicContact CD1-CB 4.5Å; L104-F108 HydrophobicContact CD1-CD2 3.58Å; L104-F108 HydrophobicContact CD1-CE2 3.91Å; L104-F108 HydrophobicContact CD1-CG 4.01Å; L104-F108 HydrophobicContact CG-CD2 4.38Å; L104-F108 HydrophobicContact CG-CE2 4.39Å; L104-A164 HydrophobicContact CD1-CB 3.58Å; L104-R217 VanDerWaalsContact CD2-CZ 3.43Å; L104-I232 HydrophobicContact CD2-CG2 3.85Å
105	P	95.3	Very high	97.7	Very high	109 Å²	109	33.1 Å²	33.1	71%	0.708	19%	0.191	S	C	*	.	S	Bend	trans	-64.6	2.3	-179	-23.9	35.5	0	0	0	116.7	I232	P105-I232 HydrophobicContact CG-CD1 4.4Å
106	G	95.4	Very high	97.7	Very high	14 Å²	14	32.1 Å²	32.1	14%	0.144	18%	0.184	C	C	.	.	S	Bend	trans	-170.1	-178.8	179.2	0	0	0	0	0	110.4	L104 F108 D148	L104-G106 PolarHBondContact O-N 3.03Å; G106-F108 WeakPolarHBondContact O-CD2 3.4Å; G106-F108 WeakPolarHBondContact O-CE2 3.23Å; G106-D148 WeakPolarHBondContact CA-OD2 3.34Å
107	Q	98.2	Very high	97.6	Very high	56 Å²	56	27.7 Å²	27.7	26%	0.262	16%	0.155	S	C	.	.			trans	-81.7	128.8	171.1	-169.4	173	112.2	0	0	110.4	K99 I100 S147 D148	K99-Q107 HydrophobicContact CD-CG 4.18Å; K99-Q107 VanDerWaalsContact CD-OE1 3.27Å; I100-Q107 WeakPolarHBondContact O-CA 3.34Å; Q107-S147 PolarHBondContact O-N 3.46Å; Q107-S147 PolarHBondContact O-OG 3.14Å; Q107-S147 VanDerWaalsContact O-OG 3.04Å; Q107-D148 VanDerWaalsContact CB-CG 3.5Å; Q107-D148 VanDerWaalsContact CB-OD1 3.22Å; Q107-D148 WeakPolarHBondContact CB-OD1 3.41Å; Q107-D148 WeakPolarHBondContact CB-OD2 3.45Å; Q107-D148 PolarHBondContact N-OD2 3.2Å; Q107-D148 PolarHBondContact O-N 3.03Å
108	F	98.8	Very high	97.1	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.2	178.9	-71.1	-104.3	0	0	0	109.9	K99 I100 L104 G106 H144 Y145 N146 A164 I232	K99-F108 CarbonylContact C-O 3.41Å; K99-F108 VanDerWaalsContact CA-O 3.23Å; K99-F108 WeakPolarHBondContact CA-O 3.47Å; I100-F108 HydrophobicContact CB-CB 4.24Å; I100-F108 HydrophobicContact CD1-CB 4.31Å; I100-F108 PolarHBondContact N-O 3.23Å; I100-F108 PolarHBondContact O-N 3.44Å; I100-F108 VanDerWaalsContact O-N 3.11Å; L104-F108 HydrophobicContact CB-CD2 3.85Å; L104-F108 HydrophobicContact CB-CE2 3.66Å; L104-F108 HydrophobicContact CD1-CB 4.5Å; L104-F108 HydrophobicContact CD1-CD2 3.58Å; L104-F108 HydrophobicContact CD1-CE2 3.91Å; L104-F108 HydrophobicContact CD1-CG 4.01Å; L104-F108 HydrophobicContact CG-CD2 4.38Å; L104-F108 HydrophobicContact CG-CE2 4.39Å; G106-F108 WeakPolarHBondContact O-CD2 3.4Å; G106-F108 WeakPolarHBondContact O-CE2 3.23Å; F108-H144 HydrophobicContact CB-CB 3.72Å; F108-H144 HydrophobicContact CD1-CB 4.46Å; F108-Y145 CarbonylContact C-O 3.5Å; F108-Y145 WeakPolarHBondContact CA-O 3.2Å; F108-N146 HydrophobicContact CD1-CB 3.93Å; F108-N146 HydrophobicContact CE1-CB 3.49Å; F108-N146 VanDerWaalsContact CE1-CB 3.49Å; F108-N146 HydrophobicContact CZ-CB 3.82Å; F108-A164 HydrophobicContact CB-CB 4.49Å; F108-A164 HydrophobicContact CD1-CB 3.43Å; F108-A164 VanDerWaalsContact CD1-CB 3.43Å; F108-A164 HydrophobicContact CE1-CB 3.67Å; F108-A164 HydrophobicContact CG-CB 3.93Å; F108-A164 HydrophobicContact CZ-CB 4.36Å; F108-I232 HydrophobicContact CZ-CD1 4.25Å
109	T	98.8	Very high	96	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.2	179.7	-64.4	0	0	0	0	109.9	P96 K99 H144 Y145 S147	P96-T109 HydrophobicContact CB-CG2 3.96Å; K99-T109 WeakPolarHBondContact CE-OG1 3.3Å; K99-T109 HydrophobicContact CG-CG2 4.44Å; T109-H144 CarbonylContact O-C 3.51Å; T109-H144 WeakPolarHBondContact O-CA 3.42Å; T109-H144 WeakPolarHBondContact O-CB 3.22Å; T109-Y145 HydrophobicContact CG2-CE1 3.92Å; T109-Y145 PolarHBondContact N-O 2.96Å; T109-Y145 WeakPolarHBondContact O-CD1 3.21Å; T109-Y145 PolarHBondContact O-N 2.93Å; T109-S147 PolarHBondContact N-OG 3.14Å; T109-S147 VanDerWaalsContact OG1-CB 3.23Å; T109-S147 WeakPolarHBondContact OG1-CB 3.39Å; T109-S147 PolarHBondContact OG1-OG 3.34Å
110	A	98.6	Very high	94.2	Very high	4 Å²	4	27.5 Å²	27.5	3%	0.033	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	149.5	-179.6	0	0	0	0	0	111.4	L94 M98 H144	L94-A110 HydrophobicContact CB-CB 4.03Å; L94-A110 HydrophobicContact CD1-CB 4.06Å; M98-A110 HydrophobicContact CB-CB 3.64Å; M98-A110 WeakPolarHBondContact O-CB 3.49Å; M98-A110 PolarHBondContact O-N 2.64Å; A110-H144 VanDerWaalsContact CA-CD2 3.45Å; A110-H144 WeakPolarHBondContact CA-CD2 3.36Å; A110-H144 PolarHBondContact N-CD2 2.95Å
111	V	98.4	Very high	91.8	Very high	39 Å²	39	34.1 Å²	34.1	24%	0.236	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-53.3	-178.8	-178.2	0	0	0	0	109.9	L94 V143 Y145 F153	L94-V111 PolarHBondContact N-O 3.49Å; V111-V143 PolarHBondContact N-O 3.07Å; V111-Y145 HydrophobicContact CG2-CD1 3.56Å; V111-Y145 HydrophobicContact CG2-CE1 4.3Å; V111-Y145 HydrophobicContact CG2-CG 4.49Å; V111-F153 HydrophobicContact CG1-CB 4.39Å; V111-F153 HydrophobicContact CG1-CD2 4.36Å; V111-F153 HydrophobicContact CG1-CG 4.26Å; V111-F153 HydrophobicContact CG2-CB 4Å; V111-F153 HydrophobicContact CG2-CD2 3.95Å; V111-F153 HydrophobicContact CG2-CG 4.24Å
112	Q	98.5	Very high	89.4	Confident	26 Å²	26	37.3 Å²	37.3	12%	0.121	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.7	-178.9	54.4	85.7	-39.6	0	0	110.2	Q91 I92 H114 V143	Q91-Q112 HydrophobicContact CG-CB 3.77Å; Q91-Q112 HydrophobicContact CG-CG 4.09Å; I92-Q112 CarbonylContact O-C 3.39Å; I92-Q112 WeakPolarHBondContact O-CA 3.44Å; I92-Q112 WeakPolarHBondContact O-CB 3.1Å; Q112-H114 VanDerWaalsContact CD-ND1 3.34Å; Q112-H114 PolarHBondContact NE2-CE1 2.82Å; Q112-H114 PolarHBondContact NE2-ND1 3.47Å; Q112-H114 PolarHBondContact OE1-ND1 3.36Å; Q112-V143 HydrophobicContact CG-CB 4.29Å; Q112-V143 HydrophobicContact CG-CG2 4.46Å; Q112-V143 PolarHBondContact O-N 3Å
113	M	98.5	Very high	86.7	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	151.9	157.4	66.2	-173.1	-166.7	0	0	111	Q91 I92 L94 L140 H141 V142 I202 V204 M207	Q91-M113 CarbonylContact C-O 3.32Å; Q91-M113 WeakPolarHBondContact CA-O 3.3Å; I92-M113 HydrophobicContact CB-CE 4.16Å; I92-M113 HydrophobicContact CB-CG 4.14Å; I92-M113 HydrophobicContact CD1-CE 3.51Å; I92-M113 HydrophobicContact CG1-CE 4.36Å; I92-M113 HydrophobicContact CG2-CE 4.47Å; I92-M113 PolarHBondContact N-O 2.68Å; I92-M113 PolarHBondContact O-N 3.08Å; L94-M113 HydrophobicContact CD1-CB 4.09Å; L94-M113 HydrophobicContact CD1-CG 4.32Å; L94-M113 HydrophobicContact CD2-CG 4.34Å; L94-M113 HydrophobicContact CD2-SD 4.3Å; L94-M113 HydrophobicContact CG-CG 4.47Å; M113-L140 HydrophobicContact CB-CD1 4.12Å; M113-L140 HydrophobicContact CG-CD1 4.46Å; M113-L140 HydrophobicContact SD-CD1 4.44Å; M113-H141 CarbonylContact C-O 3.19Å; M113-H141 WeakPolarHBondContact CA-O 3.29Å; M113-H141 VanDerWaalsContact CB-O 3.31Å; M113-H141 WeakPolarHBondContact CB-O 3.13Å; M113-V142 HydrophobicContact CB-CB 4.47Å; M113-V142 HydrophobicContact CB-CG1 4.41Å; M113-V142 HydrophobicContact CB-CG2 4.11Å; M113-I202 HydrophobicContact CE-CD1 3.5Å; M113-I202 VanDerWaalsContact CE-CD1 3.5Å; M113-I202 HydrophobicContact CE-CG1 4.45Å; M113-I202 HydrophobicContact SD-CD1 4.44Å; M113-V204 HydrophobicContact SD-CG1 4.25Å; M113-V204 HydrophobicContact SD-CG2 4.03Å; M113-M207 HydrophobicContact CE-CE 4.08Å; M113-M207 HydrophobicContact CE-SD 4Å
114	H	98.6	Very high	84.7	Confident	18 Å²	18	43 Å²	43	8%	0.083	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	165.9	178.1	62.9	-75.1	0	0	0	110.4	T89 V90 Q91 Q112 H116 H141	T89-H114 HydrophobicContact CG2-CB 3.91Å; V90-H114 VanDerWaalsContact O-CA 3.29Å; V90-H114 WeakPolarHBondContact O-CA 3.49Å; V90-H114 WeakPolarHBondContact O-CB 3.49Å; Q91-H114 HydrophobicContact CB-CB 4.34Å; Q112-H114 VanDerWaalsContact CD-ND1 3.34Å; Q112-H114 PolarHBondContact NE2-CE1 2.82Å; Q112-H114 PolarHBondContact NE2-ND1 3.47Å; Q112-H114 PolarHBondContact OE1-ND1 3.36Å; H114-H116 AromaticContact CD2-CE1 3.96Å; H114-H116 AromaticContact CD2-NE2 3.32Å; H114-H116 PolarHBondContact CD2-NE2 3.21Å; H114-H116 VanDerWaalsContact CD2-NE2 3.32Å; H114-H116 AromaticContact NE2-NE2 3.23Å; H114-H116 PolarHBondContact NE2-NE2 2.86Å; H114-H141 VanDerWaalsContact CE1-CB 3.4Å; H114-H141 WeakPolarHBondContact CE1-CB 3.34Å; H114-H141 AromaticContact CE1-ND1 3.98Å; H114-H141 PolarHBondContact N-O 2.9Å; H114-H141 AromaticContact NE2-ND1 3.48Å; H114-H141 PolarHBondContact NE2-ND1 3.04Å; H114-H141 PolarHBondContact O-N 2.84Å
115	L	97.5	Very high	83.3	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	156.1	-176	-70.3	75.8	0	0	0	109.9	T89 V90 W117 E139 L140 Y170 F183 L250	T89-L115 PolarHBondContact OG1-N 3.36Å; T89-L115 PolarHBondContact OG1-O 2.73Å; V90-L115 HydrophobicContact CG1-CD1 4.37Å; L115-W117 HydrophobicContact CB-CE3 3.92Å; L115-W117 HydrophobicContact CB-CZ3 4.02Å; L115-W117 WeakPolarHBondContact O-CZ3 3.47Å; L115-E139 CarbonylContact C-O 3.53Å; L115-E139 VanDerWaalsContact CA-O 3.26Å; L115-E139 WeakPolarHBondContact CA-O 3.47Å; L115-L140 HydrophobicContact CD1-CD1 3.87Å; L115-L140 HydrophobicContact CG-CD1 4.16Å; L115-Y170 HydrophobicContact CD2-CE2 3.91Å; L115-Y170 HydrophobicContact CG-CE2 4.31Å; L115-F183 HydrophobicContact CD1-CE1 4.41Å; L115-F183 HydrophobicContact CD1-CE2 4.18Å; L115-F183 HydrophobicContact CD1-CZ 3.64Å; L115-F183 HydrophobicContact CD2-CE1 4Å; L115-F183 HydrophobicContact CD2-CZ 4Å; L115-F183 HydrophobicContact CG-CZ 4.48Å; L115-L250 HydrophobicContact CD2-CD1 4.07Å; L115-L250 HydrophobicContact CD2-CD2 3.95Å
116	H	97.1	Very high	82.8	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.8	165.6	-61.6	-86.9	0	0	0	108	H114 G126 E128 A138 E139 H141 D265	H114-H116 AromaticContact CD2-CE1 3.96Å; H114-H116 AromaticContact CD2-NE2 3.32Å; H114-H116 PolarHBondContact CD2-NE2 3.21Å; H114-H116 VanDerWaalsContact CD2-NE2 3.32Å; H114-H116 AromaticContact NE2-NE2 3.23Å; H114-H116 PolarHBondContact NE2-NE2 2.86Å; H116-G126 CarbonylContact C-O 3.59Å; H116-E128 HydrophobicContact CB-CG 3.82Å; H116-E128 IonicContact CD2-OE2 2.66Å; H116-E128 IonicContact CE1-OE2 2.69Å; H116-E128 PolarHBondContact CE1-OE2 2.92Å; H116-E128 IonicContact CG-OE2 3.65Å; H116-E128 IonicContact ND1-OE2 3.46Å; H116-E128 IonicContact NE2-OE2 3.6Å; H116-E128 PolarHBondContact NE2-OE2 3.38Å; H116-A138 CarbonylContact O-C 3.54Å; H116-A138 WeakPolarHBondContact O-CA 3.44Å; H116-A138 WeakPolarHBondContact O-CB 3.42Å; H116-E139 PolarHBondContact N-O 3.19Å; H116-E139 PolarHBondContact O-N 3.38Å; H116-H141 AromaticContact CD2-CE1 3.35Å; H116-H141 PolarHBondContact CD2-CE1 3.37Å; H116-H141 AromaticContact CD2-ND1 3.23Å; H116-H141 PolarHBondContact CD2-ND1 2.93Å; H116-H141 AromaticContact NE2-CE1 3.45Å; H116-H141 PolarHBondContact NE2-CE1 2.69Å; H116-H141 AromaticContact NE2-ND1 3.06Å; H116-H141 PolarHBondContact NE2-ND1 2.82Å; H116-D265 WeakPolarHBondContact CA-OD1 3.33Å; H116-D265 PolarHBondContact ND1-O 2.74Å
117	W	93.7	Very high	82.7	Confident	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	166.5	-177.4	62.1	86.9	0	0	0	112.5	V90 L115 G126 A138 L250 E251 L254 L262 N264 D265	V90-W117 HydrophobicContact CG1-CH2 4.13Å; V90-W117 HydrophobicContact CG1-CZ3 3.96Å; L115-W117 HydrophobicContact CB-CE3 3.92Å; L115-W117 HydrophobicContact CB-CZ3 4.02Å; L115-W117 WeakPolarHBondContact O-CZ3 3.47Å; W117-G126 PolarHBondContact N-O 3.4Å; W117-A138 HydrophobicContact CB-CB 4.04Å; W117-L250 HydrophobicContact CB-CD2 3.85Å; W117-L250 HydrophobicContact CB-CG 4.03Å; W117-L250 HydrophobicContact CD2-CD1 4Å; W117-L250 HydrophobicContact CD2-CD2 4.37Å; W117-L250 HydrophobicContact CD2-CG 3.81Å; W117-L250 HydrophobicContact CE3-CD1 3.73Å; W117-L250 HydrophobicContact CE3-CD2 4.3Å; W117-L250 HydrophobicContact CE3-CG 3.95Å; W117-L250 HydrophobicContact CG-CD2 4.22Å; W117-L250 HydrophobicContact CG-CG 3.86Å; W117-L250 HydrophobicContact CZ3-CD1 4.04Å; W117-L250 PolarHBondContact NE1-O 3.32Å; W117-E251 HydrophobicContact CB-CG 4.48Å; W117-L254 HydrophobicContact CH2-CD1 3.68Å; W117-L254 HydrophobicContact CZ2-CB 4.41Å; W117-L254 HydrophobicContact CZ2-CD1 3.91Å; W117-L262 HydrophobicContact CH2-CD2 3.83Å; W117-L262 HydrophobicContact CZ2-CB 4.32Å; W117-L262 HydrophobicContact CZ2-CD2 3.56Å; W117-L262 HydrophobicContact CZ2-CG 3.84Å; W117-L262 PolarHBondContact NE1-O 2.69Å; W117-N264 WeakPolarHBondContact O-CA 3.45Å; W117-N264 PolarHBondContact O-N 3.46Å; W117-D265 WeakPolarHBondContact CH2-OD2 3.42Å; W117-D265 VanDerWaalsContact CZ3-OD2 3.31Å; W117-D265 WeakPolarHBondContact CZ3-OD2 3.45Å; W117-D265 PolarHBondContact N-OD1 2.76Å; W117-D265 PolarHBondContact O-N 2.86Å
118	G	86.9	Confident	82.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.174	C	C	.	.			trans	-84.1	-155.4	-176.7	0	0	0	0	0	113.3	S125 N264	G118-S125 VanDerWaalsContact CA-O 3.31Å; G118-S125 WeakPolarHBondContact CA-O 3.38Å; G118-S125 PolarHBondContact N-O 2.79Å; G118-N264 PolarHBondContact O-N 3.34Å
119	G	74.7	Confident	82.6	Confident	7 Å²	7	33.7 Å²	33.7	7%	0.072	17%	0.174	C	C	.	.			trans	-163.2	133.4	168.8	0	0	0	0	0	109.3	D121	G119-D121 VanDerWaalsContact C-N 3.28Å; G119-D121 PolarHBondContact O-N 2.79Å
120	L	60.6	Low	82.2	Confident	101 Å²	101	34.1 Å²	34.1	53%	0.529	18%	0.176	S	C	.	.	S	Bend	trans	23.3	6.9	161.4	-103.9	158.2	0	0	0	124.5	W263	L120-W263 HydrophobicContact CB-CH2 4.31Å; L120-W263 HydrophobicContact CB-CZ2 4.2Å; L120-W263 HydrophobicContact CD1-CH2 3.79Å; L120-W263 HydrophobicContact CD1-CZ2 3.43Å; L120-W263 VanDerWaalsContact CD1-CZ2 3.43Å; L120-W263 HydrophobicContact CG-CZ2 4.37Å
121	D	49.3	Very low	81.7	Confident	138 Å²	138	34.1 Å²	34.1	74%	0.738	18%	0.176	S	C	*	.	S	Bend	trans	-143.7	7.4	-173	-72.6	-49.2	0	0	0	117.2	G119	G119-D121 VanDerWaalsContact C-N 3.28Å; G119-D121 PolarHBondContact O-N 2.79Å
122	L	46.1	Very low	80.9	Confident	122 Å²	122	35.8 Å²	35.8	64%	0.639	18%	0.183	S	C	*	.			trans	-145.2	127.1	-179.3	-68.4	170.2	0	0	0	111.4	E124	L122-E124 PolarHBondContact O-N 3.3Å
123	E	42.6	Very low	80.1	Confident	143 Å²	143	37.2 Å²	37.2	67%	0.668	21%	0.205	S	C	*	.	S	Bend	trans	-54.1	127.9	157.6	-64.5	-167.8	151.9	0	0	107.3
124	E	54.6	Low	79.2	Confident	96 Å²	96	39.7 Å²	39.7	45%	0.449	22%	0.222	S	C	.	.	S	Bend	trans	68	71.3	-179.1	-81.1	-170	-155.7	0	0	115.1	L122 S134 R135 M137	L122-E124 PolarHBondContact O-N 3.3Å; E124-S134 VanDerWaalsContact OE2-CB 3.23Å; E124-S134 WeakPolarHBondContact OE2-CB 3.25Å; E124-S134 PolarHBondContact OE2-OG 2.9Å; E124-R135 CarbonylContact C-O 3.59Å; E124-R135 WeakPolarHBondContact CA-O 3.24Å; E124-R135 WeakPolarHBondContact CB-O 3.13Å; E124-R135 WeakPolarHBondContact CG-O 3.22Å; E124-R135 PolarHBondContact OE2-N 2.73Å; E124-M137 HydrophobicContact CB-CE 4.46Å; E124-M137 HydrophobicContact CG-CE 3.97Å
125	S	67.8	Low	78.5	Confident	4 Å²	4	40.6 Å²	40.6	3%	0.028	23%	0.225	C	C	.	.			trans	-141.8	126.2	-179.7	-174.1	0	0	0	0	113.3	G118 Y136 M137 Y266	G118-S125 VanDerWaalsContact CA-O 3.31Å; G118-S125 WeakPolarHBondContact CA-O 3.38Å; G118-S125 PolarHBondContact N-O 2.79Å; S125-Y136 CarbonylContact C-O 3.51Å; S125-M137 CarbonylContact C-O 3.39Å; S125-M137 CarbonylContact O-C 3.53Å; S125-M137 WeakPolarHBondContact O-CA 3.13Å; S125-Y266 PolarHBondContact OG-OH 3.38Å
126	G	84	Confident	78.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.232	C	C	.	.			trans	143.2	-32.4	164.1	0	0	0	0	0	116.4	H116 W117 Y136 M137	H116-G126 CarbonylContact C-O 3.59Å; W117-G126 PolarHBondContact N-O 3.4Å; G126-Y136 PolarHBondContact N-O 2.95Å; G126-M137 WeakPolarHBondContact CA-O 3.39Å
127	A	93.5	Very high	77.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.			trans	-63.8	145.6	173.4	0	0	0	0	0	110.7	R135 Y136 E139 V169	A127-R135 HydrophobicContact CB-CG 4.33Å; A127-R135 WeakPolarHBondContact O-CD 3.33Å; A127-R135 WeakPolarHBondContact O-CG 3.2Å; A127-R135 PolarHBondContact O-NH1 2.78Å; A127-Y136 WeakPolarHBondContact CB-O 3.47Å; A127-Y136 PolarHBondContact N-O 3.27Å; A127-E139 HydrophobicContact CB-CB 3.88Å; A127-V169 HydrophobicContact CB-CG1 4.25Å
128	E	96.7	Very high	77.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-77	-53.1	178.4	-68.3	-138	89	0	0	110.4	P52 H116 R135 E139 H141 T223 R267	P52-E128 VanDerWaalsContact CB-C 3.42Å; P52-E128 HydrophobicContact CB-CB 3.79Å; P52-E128 WeakPolarHBondContact CB-O 3.3Å; P52-E128 HydrophobicContact CG-CB 3.78Å; P52-E128 WeakPolarHBondContact CG-O 3.11Å; H116-E128 HydrophobicContact CB-CG 3.82Å; H116-E128 IonicContact CD2-OE2 2.66Å; H116-E128 IonicContact CE1-OE2 2.69Å; H116-E128 PolarHBondContact CE1-OE2 2.92Å; H116-E128 IonicContact CG-OE2 3.65Å; H116-E128 IonicContact ND1-OE2 3.46Å; H116-E128 IonicContact NE2-OE2 3.6Å; H116-E128 PolarHBondContact NE2-OE2 3.38Å; E128-R135 PolarHBondContact O-NH2 3.31Å; E128-E139 WeakPolarHBondContact CA-OE2 3.41Å; E128-E139 PolarHBondContact N-OE2 3.35Å; E128-H141 IonicContact OE2-CE1 2.84Å; E128-H141 PolarHBondContact OE2-CE1 2.82Å; E128-H141 IonicContact OE2-ND1 3.7Å; E128-T223 WeakPolarHBondContact OE1-CB 3.4Å; E128-T223 WeakPolarHBondContact OE2-CB 3.27Å; E128-T223 WeakPolarHBondContact OE2-CG2 3.06Å; E128-T223 PolarHBondContact OE2-OG1 3.16Å; E128-R267 VanDerWaalsContact OE1-CB 3.29Å; E128-R267 WeakPolarHBondContact OE1-CB 3.15Å; E128-R267 PolarHBondContact OE1-N 2.84Å
129	H	98	Very high	78.1	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-70.9	145	173.2	-67.4	88.2	0	0	0	111	E139 Y218 W233 V235	H129-E139 IonicContact CE1-OE1 2.62Å; H129-E139 IonicContact CG-OE1 2.8Å; H129-E139 PolarHBondContact N-OE2 2.95Å; H129-E139 IonicContact ND1-OE1 3.18Å; H129-E139 PolarHBondContact ND1-OE1 3.45Å; H129-E139 IonicContact ND1-OE2 3.48Å; H129-Y218 AromaticContact NE2-CE1 3.5Å; H129-Y218 AromaticContact NE2-CZ 3.5Å; H129-Y218 PolarHBondContact NE2-OH 2.99Å; H129-W233 AromaticContact CE1-CD2 3.88Å; H129-W233 AromaticContact CE1-CE3 3.47Å; H129-W233 VanDerWaalsContact CE1-CE3 3.47Å; H129-W233 AromaticContact CE1-CH2 3.94Å; H129-W233 AromaticContact CE1-CZ3 3.5Å; H129-W233 VanDerWaalsContact CE1-CZ3 3.5Å; H129-W233 WeakPolarHBondContact CE1-CZ3 3.41Å; H129-V235 HydrophobicContact CB-CG1 4.47Å
130	T	90.8	Very high	79.3	Confident	12 Å²	12	42.8 Å²	42.8	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	151.5	167	60.8	0	0	0	0	109.3	I53 D54 I55 S134 R135	I53-T130 PolarHBondContact O-N 3.31Å; D54-T130 VanDerWaalsContact CA-OG1 3.24Å; D54-T130 WeakPolarHBondContact CA-OG1 3.22Å; D54-T130 WeakPolarHBondContact CB-OG1 3.46Å; D54-T130 PolarHBondContact OD1-OG1 2.88Å; I55-T130 PolarHBondContact N-O 2.75Å; T130-S134 CarbonylContact C-O 3.55Å; T130-S134 WeakPolarHBondContact CA-O 3.14Å; T130-S134 WeakPolarHBondContact CB-O 3.21Å; T130-R135 HydrophobicContact CG2-CB 3.96Å; T130-R135 HydrophobicContact CG2-CG 4.4Å
131	I	87.1	Confident	81.1	Confident	3 Å²	3	38 Å²	38	2%	0.015	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.5	176.4	-55.6	167.7	0	0	0	107.8	I55 R57 G133 S134 Y136	I55-I131 WeakPolarHBondContact O-CA 3.14Å; R57-I131 HydrophobicContact CG-CG2 4.01Å; I131-G133 PolarHBondContact O-N 3.46Å; I131-S134 PolarHBondContact N-O 2.72Å; I131-S134 PolarHBondContact O-N 2.88Å; I131-Y136 HydrophobicContact CB-CE2 4.27Å; I131-Y136 HydrophobicContact CD1-CD2 4.47Å; I131-Y136 HydrophobicContact CD1-CE2 3.75Å; I131-Y136 HydrophobicContact CG1-CE2 4.24Å
132	D	82.9	Confident	83.4	Confident	75 Å²	75	31.5 Å²	31.5	40%	0.401	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	34.2	-173.9	-59.1	-48.4	0	0	0	113.6	I55 Q56 R57 S134	I55-D132 PolarHBondContact O-N 3.34Å; Q56-D132 WeakPolarHBondContact CA-OD1 3.36Å; R57-D132 VanDerWaalsContact CD-OD2 3.23Å; R57-D132 WeakPolarHBondContact CD-OD2 3.21Å; R57-D132 VanDerWaalsContact CG-OD2 3.25Å; R57-D132 WeakPolarHBondContact CG-OD2 3.45Å; R57-D132 IonicContact CZ-OD2 2.84Å; R57-D132 PolarHBondContact N-OD1 3.49Å; R57-D132 IonicContact NE-OD2 3.16Å; R57-D132 IonicContact NH1-OD2 3.75Å; R57-D132 PolarHBondContact NH1-OD2 3.48Å; D132-S134 VanDerWaalsContact C-N 3.3Å; D132-S134 PolarHBondContact O-N 2.76Å
133	G	80.6	Confident	86	Confident	56 Å²	56	26 Å²	26	58%	0.577	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	-9.4	-177.5	0	0	0	0	0	115.6	D54 I131	D54-G133 PolarHBondContact OD1-N 2.82Å; I131-G133 PolarHBondContact O-N 3.46Å
134	S	79.4	Confident	88.6	Confident	53 Å²	53	19.2 Å²	19.2	37%	0.371	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	142.1	176.6	-81.5	0	0	0	0	112.1	E124 T130 I131 D132	E124-S134 VanDerWaalsContact OE2-CB 3.23Å; E124-S134 WeakPolarHBondContact OE2-CB 3.25Å; E124-S134 PolarHBondContact OE2-OG 2.9Å; T130-S134 CarbonylContact C-O 3.55Å; T130-S134 WeakPolarHBondContact CA-O 3.14Å; T130-S134 WeakPolarHBondContact CB-O 3.21Å; I131-S134 PolarHBondContact N-O 2.72Å; I131-S134 PolarHBondContact O-N 2.88Å; D132-S134 VanDerWaalsContact C-N 3.3Å; D132-S134 PolarHBondContact O-N 2.76Å
135	R	84.8	Confident	90.7	Very high	37 Å²	37	16.5 Å²	16.5	14%	0.14	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.9	-179.9	-178.3	167.9	-66.4	-112	-9.6	109.5	E124 A127 E128 T130 Y266	E124-R135 CarbonylContact C-O 3.59Å; E124-R135 WeakPolarHBondContact CA-O 3.24Å; E124-R135 WeakPolarHBondContact CB-O 3.13Å; E124-R135 WeakPolarHBondContact CG-O 3.22Å; E124-R135 PolarHBondContact OE2-N 2.73Å; A127-R135 HydrophobicContact CB-CG 4.33Å; A127-R135 WeakPolarHBondContact O-CD 3.33Å; A127-R135 WeakPolarHBondContact O-CG 3.2Å; A127-R135 PolarHBondContact O-NH1 2.78Å; E128-R135 PolarHBondContact O-NH2 3.31Å; T130-R135 HydrophobicContact CG2-CB 3.96Å; T130-R135 HydrophobicContact CG2-CG 4.4Å; R135-Y266 VanDerWaalsContact NH1-CE2 3.27Å
136	Y	88.4	Confident	92.2	Very high	44 Å²	44	16.5 Å²	16.5	17%	0.173	10%	0.097	C	C	.	.			trans	-83.8	168.1	178.2	-74.3	-95.2	0	0	0	111.7	S125 G126 A127 I131 A138 V169 Y170 D171	S125-Y136 CarbonylContact C-O 3.51Å; G126-Y136 PolarHBondContact N-O 2.95Å; A127-Y136 WeakPolarHBondContact CB-O 3.47Å; A127-Y136 PolarHBondContact N-O 3.27Å; I131-Y136 HydrophobicContact CB-CE2 4.27Å; I131-Y136 HydrophobicContact CD1-CD2 4.47Å; I131-Y136 HydrophobicContact CD1-CE2 3.75Å; I131-Y136 HydrophobicContact CG1-CE2 4.24Å; Y136-A138 VanDerWaalsContact C-N 3.31Å; Y136-A138 PolarHBondContact O-N 3.3Å; Y136-V169 HydrophobicContact CD1-CB 4.05Å; Y136-V169 HydrophobicContact CD1-CG2 3.95Å; Y136-V169 HydrophobicContact CD2-CB 3.87Å; Y136-V169 HydrophobicContact CD2-CG1 3.87Å; Y136-V169 HydrophobicContact CD2-CG2 3.96Å; Y136-V169 HydrophobicContact CE1-CG2 4.13Å; Y136-V169 HydrophobicContact CE2-CG2 4.15Å; Y136-V169 HydrophobicContact CG-CB 3.59Å; Y136-V169 HydrophobicContact CG-CG1 4.04Å; Y136-V169 HydrophobicContact CG-CG2 3.85Å; Y136-Y170 WeakPolarHBondContact CB-O 3.35Å; Y136-D171 HydrophobicContact CD1-CB 4.3Å; Y136-D171 HydrophobicContact CE1-CB 4.46Å
137	M	87.1	Confident	92.9	Very high	13 Å²	13	17.9 Å²	17.9	6%	0.064	11%	0.107	C	C	.	.	S	Bend	trans	-67.4	-30.9	-172.8	-60.1	-61.1	155.5	0	0	113.5	E124 S125 G126 Y170 Y172 I247	E124-M137 HydrophobicContact CB-CE 4.46Å; E124-M137 HydrophobicContact CG-CE 3.97Å; S125-M137 CarbonylContact C-O 3.39Å; S125-M137 CarbonylContact O-C 3.53Å; S125-M137 WeakPolarHBondContact O-CA 3.13Å; G126-M137 WeakPolarHBondContact CA-O 3.39Å; M137-Y170 PolarHBondContact N-O 2.85Å; M137-Y172 HydrophobicContact CE-CD2 3.7Å; M137-Y172 HydrophobicContact CE-CE2 3.19Å; M137-Y172 HydrophobicContact CG-CD2 4.3Å; M137-Y172 HydrophobicContact CG-CE2 4Å; M137-Y172 HydrophobicContact SD-CD2 4.38Å; M137-Y172 HydrophobicContact SD-CE2 3.6Å; M137-Y172 VanDerWaalsContact SD-CE2 3.6Å; M137-I247 HydrophobicContact CB-CD1 4.21Å; M137-I247 HydrophobicContact CB-CG2 4.48Å; M137-I247 HydrophobicContact CG-CD1 4.29Å
138	A	94.1	Very high	93.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	171.1	177.6	0	0	0	0	0	108.9	H116 W117 Y136 Y170 L250	H116-A138 CarbonylContact O-C 3.54Å; H116-A138 WeakPolarHBondContact O-CA 3.44Å; H116-A138 WeakPolarHBondContact O-CB 3.42Å; W117-A138 HydrophobicContact CB-CB 4.04Å; Y136-A138 VanDerWaalsContact C-N 3.31Å; Y136-A138 PolarHBondContact O-N 3.3Å; A138-Y170 HydrophobicContact CB-CD2 3.45Å; A138-Y170 VanDerWaalsContact CB-CD2 3.45Å; A138-Y170 HydrophobicContact CB-CE2 4.26Å; A138-Y170 HydrophobicContact CB-CG 4.06Å; A138-Y170 PolarHBondContact O-N 3.36Å; A138-L250 HydrophobicContact CB-CD2 4Å
139	E	97.9	Very high	93.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	132	173.7	-172.7	167.7	173.4	0	0	111.8	L115 H116 A127 E128 H129 H141 A167 F168	L115-E139 CarbonylContact C-O 3.53Å; L115-E139 VanDerWaalsContact CA-O 3.26Å; L115-E139 WeakPolarHBondContact CA-O 3.47Å; H116-E139 PolarHBondContact N-O 3.19Å; H116-E139 PolarHBondContact O-N 3.38Å; A127-E139 HydrophobicContact CB-CB 3.88Å; E128-E139 WeakPolarHBondContact CA-OE2 3.41Å; E128-E139 PolarHBondContact N-OE2 3.35Å; H129-E139 IonicContact CE1-OE1 2.62Å; H129-E139 IonicContact CG-OE1 2.8Å; H129-E139 PolarHBondContact N-OE2 2.95Å; H129-E139 IonicContact ND1-OE1 3.18Å; H129-E139 PolarHBondContact ND1-OE1 3.45Å; H129-E139 IonicContact ND1-OE2 3.48Å; E139-H141 IonicContact OE1-CD2 2.76Å; E139-H141 IonicContact OE1-NE2 2.85Å; E139-H141 PolarHBondContact OE1-NE2 3.13Å; E139-A167 WeakPolarHBondContact OE1-CB 3.26Å; E139-F168 CarbonylContact C-O 3.55Å; E139-F168 WeakPolarHBondContact CA-O 3.44Å
140	L	98.5	Very high	93.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	130	173	171.2	67.8	0	0	0	109.9	M113 L115 V142 A167 F168 Y170 L208 I240	M113-L140 HydrophobicContact CB-CD1 4.12Å; M113-L140 HydrophobicContact CG-CD1 4.46Å; M113-L140 HydrophobicContact SD-CD1 4.44Å; L115-L140 HydrophobicContact CD1-CD1 3.87Å; L115-L140 HydrophobicContact CG-CD1 4.16Å; L140-V142 HydrophobicContact CD2-CG2 4.32Å; L140-V142 HydrophobicContact CG-CG2 4.25Å; L140-A167 CarbonylContact O-C 3.4Å; L140-A167 VanDerWaalsContact O-CA 3.29Å; L140-A167 WeakPolarHBondContact O-CA 3.48Å; L140-F168 HydrophobicContact CB-CB 4.28Å; L140-F168 HydrophobicContact CD2-CD2 4.06Å; L140-F168 HydrophobicContact CG-CD2 4.34Å; L140-F168 PolarHBondContact N-O 2.99Å; L140-F168 PolarHBondContact O-N 2.82Å; L140-Y170 HydrophobicContact CB-CE2 3.71Å; L140-Y170 WeakPolarHBondContact CB-OH 3.5Å; L140-L208 HydrophobicContact CD2-CD2 3.91Å; L140-I240 HydrophobicContact CD2-CD1 4.14Å
141	H	98.8	Very high	93.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126.2	169.7	-70.1	155.6	0	0	0	111.3	M113 H114 H116 E128 E139 V165 L166 W233	M113-H141 CarbonylContact C-O 3.19Å; M113-H141 WeakPolarHBondContact CA-O 3.29Å; M113-H141 VanDerWaalsContact CB-O 3.31Å; M113-H141 WeakPolarHBondContact CB-O 3.13Å; H114-H141 VanDerWaalsContact CE1-CB 3.4Å; H114-H141 WeakPolarHBondContact CE1-CB 3.34Å; H114-H141 AromaticContact CE1-ND1 3.98Å; H114-H141 PolarHBondContact N-O 2.9Å; H114-H141 AromaticContact NE2-ND1 3.48Å; H114-H141 PolarHBondContact NE2-ND1 3.04Å; H114-H141 PolarHBondContact O-N 2.84Å; H116-H141 AromaticContact CD2-CE1 3.35Å; H116-H141 PolarHBondContact CD2-CE1 3.37Å; H116-H141 AromaticContact CD2-ND1 3.23Å; H116-H141 PolarHBondContact CD2-ND1 2.93Å; H116-H141 AromaticContact NE2-CE1 3.45Å; H116-H141 PolarHBondContact NE2-CE1 2.69Å; H116-H141 AromaticContact NE2-ND1 3.06Å; H116-H141 PolarHBondContact NE2-ND1 2.82Å; E128-H141 IonicContact OE2-CE1 2.84Å; E128-H141 PolarHBondContact OE2-CE1 2.82Å; E128-H141 IonicContact OE2-ND1 3.7Å; E139-H141 IonicContact OE1-CD2 2.76Å; E139-H141 IonicContact OE1-NE2 2.85Å; E139-H141 PolarHBondContact OE1-NE2 3.13Å; H141-V165 HydrophobicContact CB-CG1 3.91Å; H141-L166 WeakPolarHBondContact CA-O 3.5Å; H141-W233 AromaticContact CD2-CH2 3.81Å; H141-W233 AromaticContact CD2-CZ3 3.58Å; H141-W233 AromaticContact CE1-CH2 3.6Å; H141-W233 AromaticContact NE2-CH2 3.41Å; H141-W233 WeakPolarHBondContact NE2-CH2 3.44Å; H141-W233 AromaticContact NE2-CZ3 3.39Å; H141-W233 WeakPolarHBondContact NE2-CZ3 3.11Å
142	V	98.8	Very high	94	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	109.6	168.6	-167.5	0	0	0	0	109.2	Y74 L94 M113 L140 H144 V165 L166 F168	Y74-V142 HydrophobicContact CE1-CG1 4.43Å; Y74-V142 WeakPolarHBondContact OH-CG1 3.32Å; L94-V142 HydrophobicContact CD1-CG1 3.69Å; M113-V142 HydrophobicContact CB-CB 4.47Å; M113-V142 HydrophobicContact CB-CG1 4.41Å; M113-V142 HydrophobicContact CB-CG2 4.11Å; L140-V142 HydrophobicContact CD2-CG2 4.32Å; L140-V142 HydrophobicContact CG-CG2 4.25Å; V142-H144 PolarHBondContact O-CE1 2.67Å; V142-H144 PolarHBondContact O-ND1 2.97Å; V142-V165 WeakPolarHBondContact O-CA 3.41Å; V142-L166 HydrophobicContact CB-CB 4.25Å; V142-L166 PolarHBondContact N-O 3.4Å; V142-L166 PolarHBondContact O-N 3.5Å; V142-F168 HydrophobicContact CG2-CE2 4.28Å
143	V	98.8	Very high	94.7	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.7	-169.5	-176.1	0	0	0	0	111	V111 Q112 F153 V165	V111-V143 PolarHBondContact N-O 3.07Å; Q112-V143 HydrophobicContact CG-CB 4.29Å; Q112-V143 HydrophobicContact CG-CG2 4.46Å; Q112-V143 PolarHBondContact O-N 3Å; V143-F153 HydrophobicContact CG1-CE2 4.14Å; V143-V165 HydrophobicContact CG1-CG2 4.4Å; V143-V165 HydrophobicContact CG2-CG2 4.2Å
144	H	98.9	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	155.8	177.7	-51.6	71.4	0	0	0	111.7	Y74 F108 T109 A110 V142 L163 A164	Y74-H144 AromaticContact CZ-NE2 3.76Å; Y74-H144 PolarHBondContact OH-CE1 3.32Å; Y74-H144 PolarHBondContact OH-NE2 2.94Å; F108-H144 HydrophobicContact CB-CB 3.72Å; F108-H144 HydrophobicContact CD1-CB 4.46Å; T109-H144 CarbonylContact O-C 3.51Å; T109-H144 WeakPolarHBondContact O-CA 3.42Å; T109-H144 WeakPolarHBondContact O-CB 3.22Å; A110-H144 VanDerWaalsContact CA-CD2 3.45Å; A110-H144 WeakPolarHBondContact CA-CD2 3.36Å; A110-H144 PolarHBondContact N-CD2 2.95Å; V142-H144 PolarHBondContact O-CE1 2.67Å; V142-H144 PolarHBondContact O-ND1 2.97Å; H144-L163 VanDerWaalsContact O-CA 3.3Å; H144-L163 WeakPolarHBondContact O-CA 3.17Å; H144-L163 WeakPolarHBondContact O-CD2 3.42Å; H144-A164 WeakPolarHBondContact CB-O 3.48Å; H144-A164 PolarHBondContact N-O 2.81Å; H144-A164 PolarHBondContact ND1-O 2.84Å; H144-A164 PolarHBondContact O-N 3.28Å
145	Y	98.8	Very high	96.4	Very high	40 Å²	40	43 Å²	43	16%	0.157	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.5	167.8	77	-77.8	0	0	0	111.3	F108 T109 V111 S147 F153 A156 G162	F108-Y145 CarbonylContact C-O 3.5Å; F108-Y145 WeakPolarHBondContact CA-O 3.2Å; T109-Y145 HydrophobicContact CG2-CE1 3.92Å; T109-Y145 PolarHBondContact N-O 2.96Å; T109-Y145 WeakPolarHBondContact O-CD1 3.21Å; T109-Y145 PolarHBondContact O-N 2.93Å; V111-Y145 HydrophobicContact CG2-CD1 3.56Å; V111-Y145 HydrophobicContact CG2-CE1 4.3Å; V111-Y145 HydrophobicContact CG2-CG 4.49Å; Y145-S147 PolarHBondContact O-N 2.88Å; Y145-F153 HydrophobicContact CD1-CB 4.29Å; Y145-F153 HydrophobicContact CG-CB 4.32Å; Y145-A156 HydrophobicContact CD2-CB 4.5Å; Y145-G162 CarbonylContact C-O 3.52Å; Y145-G162 WeakPolarHBondContact CA-O 3.4Å
146	N	98.6	Very high	97	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	90.4	178.2	-171.8	-21	0	0	0	110.3	F108 D148 K149 Y150 D161 G162	F108-N146 HydrophobicContact CD1-CB 3.93Å; F108-N146 HydrophobicContact CE1-CB 3.49Å; F108-N146 VanDerWaalsContact CE1-CB 3.49Å; F108-N146 HydrophobicContact CZ-CB 3.82Å; N146-D148 VanDerWaalsContact C-N 3.26Å; N146-D148 PolarHBondContact O-N 3.44Å; N146-D148 PolarHBondContact OD1-N 2.68Å; N146-K149 PolarHBondContact O-N 3.29Å; N146-K149 PolarHBondContact OD1-N 2.85Å; N146-Y150 HydrophobicContact CB-CD2 3.98Å; N146-Y150 HydrophobicContact CB-CE2 4.24Å; N146-Y150 WeakPolarHBondContact O-CD2 3.5Å; N146-Y150 PolarHBondContact O-N 3.48Å; N146-D161 WeakPolarHBondContact CB-O 3.37Å; N146-D161 PolarHBondContact ND2-O 2.82Å; N146-G162 PolarHBondContact N-O 2.86Å
147	S	98.4	Very high	97.4	Very high	30 Å²	30	42.8 Å²	42.8	21%	0.21	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-11	-176.4	49.2	0	0	0	0	113.8	Q107 T109 Y145	Q107-S147 PolarHBondContact O-N 3.46Å; Q107-S147 PolarHBondContact O-OG 3.14Å; Q107-S147 VanDerWaalsContact O-OG 3.04Å; T109-S147 PolarHBondContact N-OG 3.14Å; T109-S147 VanDerWaalsContact OG1-CB 3.23Å; T109-S147 WeakPolarHBondContact OG1-CB 3.39Å; T109-S147 PolarHBondContact OG1-OG 3.34Å; Y145-S147 PolarHBondContact O-N 2.88Å
148	D	97.3	Very high	97.8	Very high	103 Å²	103	45.9 Å²	45.9	55%	0.551	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-31.5	170.6	-79.3	-9.4	0	0	0	111.7	G106 Q107 N146	G106-D148 WeakPolarHBondContact CA-OD2 3.34Å; Q107-D148 VanDerWaalsContact CB-CG 3.5Å; Q107-D148 VanDerWaalsContact CB-OD1 3.22Å; Q107-D148 WeakPolarHBondContact CB-OD1 3.41Å; Q107-D148 WeakPolarHBondContact CB-OD2 3.45Å; Q107-D148 PolarHBondContact N-OD2 3.2Å; Q107-D148 PolarHBondContact O-N 3.03Å; N146-D148 VanDerWaalsContact C-N 3.26Å; N146-D148 PolarHBondContact O-N 3.44Å; N146-D148 PolarHBondContact OD1-N 2.68Å
149	K	98.1	Very high	98	Very high	121 Å²	121	49.5 Å²	49.5	53%	0.526	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-32	-175.6	-67.3	-169.2	-179	-177.3	0	114.3	N146 D161	N146-K149 PolarHBondContact O-N 3.29Å; N146-K149 PolarHBondContact OD1-N 2.85Å; K149-D161 VanDerWaalsContact CD-OD2 3.28Å; K149-D161 WeakPolarHBondContact CD-OD2 3.41Å; K149-D161 WeakPolarHBondContact CE-OD2 3.45Å; K149-D161 IonicContact NZ-OD2 3.33Å; K149-D161 PolarHBondContact NZ-OD2 3.29Å
150	Y	98.3	Very high	97.8	Very high	38 Å²	38	53.9 Å²	53.9	15%	0.149	28%	0.275	C	S	.	.			trans	-124.7	147.9	-172.4	-53	-70	0	0	0	111.4	N146 S152 E155 A156 K159 D161	N146-Y150 HydrophobicContact CB-CD2 3.98Å; N146-Y150 HydrophobicContact CB-CE2 4.24Å; N146-Y150 WeakPolarHBondContact O-CD2 3.5Å; N146-Y150 PolarHBondContact O-N 3.48Å; Y150-S152 VanDerWaalsContact C-N 3.31Å; Y150-S152 PolarHBondContact O-N 2.95Å; Y150-E155 HydrophobicContact CD1-CG 4Å; Y150-A156 HydrophobicContact CD2-CB 3.55Å; Y150-A156 HydrophobicContact CE2-CB 4.34Å; Y150-A156 HydrophobicContact CG-CB 3.74Å; Y150-K159 HydrophobicContact CD1-CG 4.46Å; Y150-K159 HydrophobicContact CE1-CB 4.24Å; Y150-K159 HydrophobicContact CE1-CG 3.72Å; Y150-K159 HydrophobicContact CE2-CB 4.16Å; Y150-K159 HydrophobicContact CE2-CG 4.42Å; Y150-K159 WeakPolarHBondContact OH-CB 3.45Å; Y150-D161 PolarHBondContact OH-OD1 2.96Å
151	K	97.4	Very high	97.6	Very high	188 Å²	188	55.7 Å²	55.7	82%	0.817	28%	0.284	S	S	*	.	S	Bend	trans	-79.1	-17.9	-177.5	-60	-179	-179.1	175.2	0	113	E155	K151-E155 WeakPolarHBondContact CB-OE2 3.38Å; K151-E155 PolarHBondContact N-OE2 3.05Å
152	S	97.9	Very high	97.5	Very high	47 Å²	47	55.6 Å²	55.6	33%	0.329	28%	0.284	S	S	.	.	S	Bend	trans	-159	160.5	-176.8	68.1	0	0	0	0	112.2	Y150 S154 E155 A156	Y150-S152 VanDerWaalsContact C-N 3.31Å; Y150-S152 PolarHBondContact O-N 2.95Å; S152-S154 PolarHBondContact O-N 2.88Å; S152-S154 PolarHBondContact OG-N 3.06Å; S152-E155 PolarHBondContact O-N 2.81Å; S152-E155 PolarHBondContact OG-N 2.85Å; S152-A156 PolarHBondContact O-N 3.26Å; S152-A156 VanDerWaalsContact O-N 3.14Å
153	F	97.1	Very high	97.5	Very high	68 Å²	68	55.6 Å²	55.6	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-52.4	-40.8	168.2	172.9	-97.3	0	0	0	112.5	V111 V143 Y145 E155 A156 K157 L163	V111-F153 HydrophobicContact CG1-CB 4.39Å; V111-F153 HydrophobicContact CG1-CD2 4.36Å; V111-F153 HydrophobicContact CG1-CG 4.26Å; V111-F153 HydrophobicContact CG2-CB 4Å; V111-F153 HydrophobicContact CG2-CD2 3.95Å; V111-F153 HydrophobicContact CG2-CG 4.24Å; V143-F153 HydrophobicContact CG1-CE2 4.14Å; Y145-F153 HydrophobicContact CD1-CB 4.29Å; Y145-F153 HydrophobicContact CG-CB 4.32Å; F153-E155 VanDerWaalsContact C-N 3.29Å; F153-E155 PolarHBondContact O-N 3.45Å; F153-A156 PolarHBondContact O-N 3.2Å; F153-A156 VanDerWaalsContact O-N 3.14Å; F153-K157 HydrophobicContact CE1-CB 4.22Å; F153-K157 HydrophobicContact CE1-CD 4.34Å; F153-K157 HydrophobicContact CE2-CB 4.36Å; F153-K157 HydrophobicContact CZ-CB 4.07Å; F153-K157 WeakPolarHBondContact O-CB 3.27Å; F153-K157 PolarHBondContact O-N 3.29Å; F153-L163 HydrophobicContact CD2-CD2 3.55Å; F153-L163 HydrophobicContact CE2-CD1 3.9Å; F153-L163 HydrophobicContact CE2-CD2 3.59Å; F153-L163 HydrophobicContact CE2-CG 4.43Å
154	S	97.4	Very high	97.5	Very high	78 Å²	78	55.3 Å²	55.3	55%	0.545	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-35.3	-178.1	-166.5	0	0	0	0	112.9	S152	S152-S154 PolarHBondContact O-N 2.88Å; S152-S154 PolarHBondContact OG-N 3.06Å
155	E	98.1	Very high	97.5	Very high	83 Å²	83	55.4 Å²	55.4	39%	0.388	28%	0.283	S	S	.	.	H	α-helix	trans	-76.2	-31.6	176.1	-174.3	-176.3	178.8	0	0	112.2	Y150 K151 S152 F153 K159	Y150-E155 HydrophobicContact CD1-CG 4Å; K151-E155 WeakPolarHBondContact CB-OE2 3.38Å; K151-E155 PolarHBondContact N-OE2 3.05Å; S152-E155 PolarHBondContact O-N 2.81Å; S152-E155 PolarHBondContact OG-N 2.85Å; F153-E155 VanDerWaalsContact C-N 3.29Å; F153-E155 PolarHBondContact O-N 3.45Å; E155-K159 WeakPolarHBondContact O-CG 3.49Å
156	A	98.1	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-86.8	-29.1	-174.6	0	0	0	0	0	114	Y145 Y150 S152 F153 D158 K159 G162 L163	Y145-A156 HydrophobicContact CD2-CB 4.5Å; Y150-A156 HydrophobicContact CD2-CB 3.55Å; Y150-A156 HydrophobicContact CE2-CB 4.34Å; Y150-A156 HydrophobicContact CG-CB 3.74Å; S152-A156 PolarHBondContact O-N 3.26Å; S152-A156 VanDerWaalsContact O-N 3.14Å; F153-A156 PolarHBondContact O-N 3.2Å; F153-A156 VanDerWaalsContact O-N 3.14Å; A156-D158 PolarHBondContact O-N 2.87Å; A156-K159 WeakPolarHBondContact O-CB 3.32Å; A156-K159 PolarHBondContact O-N 3Å; A156-G162 WeakPolarHBondContact CB-O 3.43Å; A156-G162 WeakPolarHBondContact O-CA 3.43Å; A156-L163 HydrophobicContact CB-CD2 4.29Å
157	K	96.7	Very high	97.5	Very high	76 Å²	76	53.4 Å²	53.4	33%	0.33	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.3	-164.3	68.3	-178.3	179.1	178.6	0	116.3	F153 L163 F228 S230	F153-K157 HydrophobicContact CE1-CB 4.22Å; F153-K157 HydrophobicContact CE1-CD 4.34Å; F153-K157 HydrophobicContact CE2-CB 4.36Å; F153-K157 HydrophobicContact CZ-CB 4.07Å; F153-K157 WeakPolarHBondContact O-CB 3.27Å; F153-K157 PolarHBondContact O-N 3.29Å; K157-L163 HydrophobicContact CB-CD1 4.37Å; K157-F228 HydrophobicContact CG-CD2 4.37Å; K157-F228 HydrophobicContact CG-CE2 4.38Å; K157-F228 WeakPolarHBondContact O-CB 3.22Å; K157-F228 WeakPolarHBondContact O-CD2 3.29Å; K157-S230 WeakPolarHBondContact O-CB 3.35Å; K157-S230 PolarHBondContact O-OG 2.85Å
158	D	96.6	Very high	97.5	Very high	79 Å²	79	52 Å²	52	42%	0.422	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	8.9	-179	70.8	-18.2	0	0	0	112.9	A156 F228	A156-D158 PolarHBondContact O-N 2.87Å; D158-F228 HydrophobicContact CB-CD1 4.15Å; D158-F228 HydrophobicContact CB-CD2 3.79Å; D158-F228 HydrophobicContact CB-CE1 4.21Å; D158-F228 HydrophobicContact CB-CE2 3.84Å; D158-F228 HydrophobicContact CB-CG 3.96Å; D158-F228 HydrophobicContact CB-CZ 4.06Å
159	K	97.9	Very high	97.5	Very high	77 Å²	77	47 Å²	47	34%	0.335	24%	0.238	S	C	.	.	S	Bend	trans	-99	138.4	179.9	-51.5	-59.4	179.6	-120.1	0	110.2	Y150 E155 A156 D161 G162 S230	Y150-K159 HydrophobicContact CD1-CG 4.46Å; Y150-K159 HydrophobicContact CE1-CB 4.24Å; Y150-K159 HydrophobicContact CE1-CG 3.72Å; Y150-K159 HydrophobicContact CE2-CB 4.16Å; Y150-K159 HydrophobicContact CE2-CG 4.42Å; Y150-K159 WeakPolarHBondContact OH-CB 3.45Å; E155-K159 WeakPolarHBondContact O-CG 3.49Å; A156-K159 WeakPolarHBondContact O-CB 3.32Å; A156-K159 PolarHBondContact O-N 3Å; K159-D161 PolarHBondContact O-N 3.02Å; K159-G162 PolarHBondContact O-N 3.37Å; K159-S230 WeakPolarHBondContact O-CA 3.4Å; K159-S230 WeakPolarHBondContact O-CB 3.41Å
160	S	93.4	Very high	97.2	Very high	92 Å²	92	41.3 Å²	41.3	64%	0.643	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.7	-172.9	49.9	0	0	0	0	115.2
161	D	93.8	Very high	96.4	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.203	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	21.6	178.1	63.4	-32.1	0	0	0	112	N146 K149 Y150 K159	N146-D161 WeakPolarHBondContact CB-O 3.37Å; N146-D161 PolarHBondContact ND2-O 2.82Å; K149-D161 VanDerWaalsContact CD-OD2 3.28Å; K149-D161 WeakPolarHBondContact CD-OD2 3.41Å; K149-D161 WeakPolarHBondContact CE-OD2 3.45Å; K149-D161 IonicContact NZ-OD2 3.33Å; K149-D161 PolarHBondContact NZ-OD2 3.29Å; Y150-D161 PolarHBondContact OH-OD1 2.96Å; K159-D161 PolarHBondContact O-N 3.02Å
162	G	97.9	Very high	95.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-79.3	-33.4	-171.8	0	0	0	0	0	113.9	Y145 N146 A156 K159	Y145-G162 CarbonylContact C-O 3.52Å; Y145-G162 WeakPolarHBondContact CA-O 3.4Å; N146-G162 PolarHBondContact N-O 2.86Å; A156-G162 WeakPolarHBondContact CB-O 3.43Å; A156-G162 WeakPolarHBondContact O-CA 3.43Å; K159-G162 PolarHBondContact O-N 3.37Å
163	L	98.8	Very high	93.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	153.7	-173.7	-55.2	-178	0	0	0	112.4	H144 F153 A156 K157 L222 S230 I231 I232	H144-L163 VanDerWaalsContact O-CA 3.3Å; H144-L163 WeakPolarHBondContact O-CA 3.17Å; H144-L163 WeakPolarHBondContact O-CD2 3.42Å; F153-L163 HydrophobicContact CD2-CD2 3.55Å; F153-L163 HydrophobicContact CE2-CD1 3.9Å; F153-L163 HydrophobicContact CE2-CD2 3.59Å; F153-L163 HydrophobicContact CE2-CG 4.43Å; A156-L163 HydrophobicContact CB-CD2 4.29Å; K157-L163 HydrophobicContact CB-CD1 4.37Å; L163-L222 HydrophobicContact CD1-CD2 4.15Å; L163-L222 HydrophobicContact CD1-CG 4.49Å; L163-S230 WeakPolarHBondContact CB-O 3.37Å; L163-S230 PolarHBondContact N-O 3.38Å; L163-I231 HydrophobicContact CB-CG1 4.14Å; L163-I231 HydrophobicContact CD1-CG1 4.28Å; L163-I232 PolarHBondContact O-N 3.2Å
164	A	98.8	Very high	91.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	136.9	166.1	0	0	0	0	0	109.3	L104 F108 H144 I232	L104-A164 HydrophobicContact CD1-CB 3.58Å; F108-A164 HydrophobicContact CB-CB 4.49Å; F108-A164 HydrophobicContact CD1-CB 3.43Å; F108-A164 VanDerWaalsContact CD1-CB 3.43Å; F108-A164 HydrophobicContact CE1-CB 3.67Å; F108-A164 HydrophobicContact CG-CB 3.93Å; F108-A164 HydrophobicContact CZ-CB 4.36Å; H144-A164 WeakPolarHBondContact CB-O 3.48Å; H144-A164 PolarHBondContact N-O 2.81Å; H144-A164 PolarHBondContact ND1-O 2.84Å; H144-A164 PolarHBondContact O-N 3.28Å; A164-I232 WeakPolarHBondContact CA-O 3.19Å
165	V	98.9	Very high	90.2	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.5	176.9	-178.8	0	0	0	0	109.2	H141 V142 V143 I231 I232 W233 T234	H141-V165 HydrophobicContact CB-CG1 3.91Å; V142-V165 WeakPolarHBondContact O-CA 3.41Å; V143-V165 HydrophobicContact CG1-CG2 4.4Å; V143-V165 HydrophobicContact CG2-CG2 4.2Å; V165-I231 HydrophobicContact CB-CG2 3.93Å; V165-I231 HydrophobicContact CG2-CD1 3.82Å; V165-I231 HydrophobicContact CG2-CG2 3.68Å; V165-I232 PolarHBondContact N-O 3.5Å; V165-I232 VanDerWaalsContact N-O 3.16Å; V165-W233 HydrophobicContact CB-CD2 4.29Å; V165-W233 HydrophobicContact CB-CE3 3.89Å; V165-W233 HydrophobicContact CB-CH2 4.04Å; V165-W233 HydrophobicContact CB-CZ2 4.4Å; V165-W233 HydrophobicContact CB-CZ3 3.76Å; V165-W233 HydrophobicContact CG1-CE3 3.91Å; V165-W233 HydrophobicContact CG1-CH2 3.66Å; V165-W233 HydrophobicContact CG1-CZ2 4.47Å; V165-W233 HydrophobicContact CG1-CZ3 3.32Å; V165-W233 HydrophobicContact CG2-CH2 4.49Å; V165-T234 PolarHBondContact O-N 2.97Å
166	L	98.9	Very high	89.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.4	167.9	-55.2	-175.1	0	0	0	107.9	L69 L71 I100 H141 V142 F168 T234 F236	L69-L166 HydrophobicContact CD1-CD2 3.73Å; L71-L166 HydrophobicContact CD1-CD1 4.48Å; L71-L166 HydrophobicContact CD2-CD1 4.01Å; I100-L166 HydrophobicContact CD1-CD1 4.18Å; I100-L166 HydrophobicContact CD1-CD2 3.95Å; I100-L166 HydrophobicContact CD1-CG 4.11Å; H141-L166 WeakPolarHBondContact CA-O 3.5Å; V142-L166 HydrophobicContact CB-CB 4.25Å; V142-L166 PolarHBondContact N-O 3.4Å; V142-L166 PolarHBondContact O-N 3.5Å; L166-F168 HydrophobicContact CB-CE2 3.63Å; L166-F168 HydrophobicContact CB-CZ 4.08Å; L166-T234 WeakPolarHBondContact CA-O 3.47Å; L166-T234 HydrophobicContact CD2-CG2 4.18Å; L166-F236 HydrophobicContact CB-CE2 4.06Å; L166-F236 HydrophobicContact CD2-CE2 4.15Å; L166-F236 HydrophobicContact CD2-CZ 4.48Å
167	A	98.8	Very high	88.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.6	-173.3	0	0	0	0	0	110.8	E139 L140 W233 T234 V235 F236	E139-A167 WeakPolarHBondContact OE1-CB 3.26Å; L140-A167 CarbonylContact O-C 3.4Å; L140-A167 VanDerWaalsContact O-CA 3.29Å; L140-A167 WeakPolarHBondContact O-CA 3.48Å; A167-W233 HydrophobicContact CB-CE3 3.91Å; A167-W233 HydrophobicContact CB-CZ3 3.68Å; A167-T234 PolarHBondContact N-O 2.83Å; A167-V235 HydrophobicContact CB-CB 4.41Å; A167-V235 HydrophobicContact CB-CG1 4.4Å; A167-V235 HydrophobicContact CB-CG2 4.02Å; A167-F236 WeakPolarHBondContact O-CD2 3.29Å; A167-F236 PolarHBondContact O-N 3.43Å
168	F	98.4	Very high	88.4	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	119.1	-176.9	-54.3	-94.1	0	0	0	109.7	E139 L140 V142 L166 L208 P209 L212 F236 I240	E139-F168 CarbonylContact C-O 3.55Å; E139-F168 WeakPolarHBondContact CA-O 3.44Å; L140-F168 HydrophobicContact CB-CB 4.28Å; L140-F168 HydrophobicContact CD2-CD2 4.06Å; L140-F168 HydrophobicContact CG-CD2 4.34Å; L140-F168 PolarHBondContact N-O 2.99Å; L140-F168 PolarHBondContact O-N 2.82Å; V142-F168 HydrophobicContact CG2-CE2 4.28Å; L166-F168 HydrophobicContact CB-CE2 3.63Å; L166-F168 HydrophobicContact CB-CZ 4.08Å; F168-L208 HydrophobicContact CD1-CD2 4.29Å; F168-L208 HydrophobicContact CD2-CD2 3.82Å; F168-L208 HydrophobicContact CE1-CB 4.38Å; F168-L208 HydrophobicContact CE1-CD1 4.41Å; F168-L208 HydrophobicContact CE1-CD2 3.99Å; F168-L208 HydrophobicContact CE1-CG 4.47Å; F168-L208 HydrophobicContact CE2-CD1 4.37Å; F168-L208 HydrophobicContact CE2-CD2 3.5Å; F168-L208 VanDerWaalsContact CE2-CD2 3.5Å; F168-L208 HydrophobicContact CG-CD2 4.2Å; F168-L208 HydrophobicContact CZ-CD1 3.84Å; F168-L208 HydrophobicContact CZ-CD2 3.59Å; F168-L208 HydrophobicContact CZ-CG 4.17Å; F168-P209 VanDerWaalsContact CD1-CD 3.43Å; F168-P209 HydrophobicContact CD1-CG 3.91Å; F168-P209 HydrophobicContact CE1-CG 4.48Å; F168-L212 HydrophobicContact CE1-CD2 3.68Å; F168-L212 HydrophobicContact CZ-CD2 4.36Å; F168-F236 HydrophobicContact CD1-CB 3.83Å; F168-F236 AromaticContact CD1-CD2 3.56Å; F168-F236 HydrophobicContact CD1-CD2 3.56Å; F168-F236 HydrophobicContact CD1-CE2 4.26Å; F168-F236 AromaticContact CD1-CG 3.75Å; F168-F236 HydrophobicContact CD1-CG 3.75Å; F168-F236 HydrophobicContact CD2-CD2 4.47Å; F168-F236 HydrophobicContact CE1-CB 4.04Å; F168-F236 AromaticContact CE1-CD1 3.99Å; F168-F236 HydrophobicContact CE1-CD1 3.99Å; F168-F236 AromaticContact CE1-CD2 3.12Å; F168-F236 HydrophobicContact CE1-CD2 3.12Å; F168-F236 HydrophobicContact CE1-CE1 4.2Å; F168-F236 AromaticContact CE1-CE2 3.39Å; F168-F236 HydrophobicContact CE1-CE2 3.39Å; F168-F236 AromaticContact CE1-CG 3.43Å; F168-F236 HydrophobicContact CE1-CG 3.43Å; F168-F236 VanDerWaalsContact CE1-CG 3.43Å; F168-F236 AromaticContact CE1-CZ 3.91Å; F168-F236 HydrophobicContact CE1-CZ 3.91Å; F168-F236 HydrophobicContact CE2-CD2 4.12Å; F168-F236 HydrophobicContact CE2-CE2 4.04Å; F168-F236 HydrophobicContact CG-CD2 4.23Å; F168-F236 AromaticContact CZ-CD2 3.44Å; F168-F236 HydrophobicContact CZ-CD2 3.44Å; F168-F236 VanDerWaalsContact CZ-CD2 3.44Å; F168-F236 AromaticContact CZ-CE2 3.25Å; F168-F236 HydrophobicContact CZ-CE2 3.25Å; F168-F236 HydrophobicContact CZ-CG 4.2Å; F168-F236 AromaticContact CZ-CZ 3.87Å; F168-F236 HydrophobicContact CZ-CZ 3.87Å; F168-I240 HydrophobicContact CB-CD1 3.52Å; F168-I240 HydrophobicContact CB-CG1 4.18Å; F168-I240 HydrophobicContact CG-CD1 4.13Å
169	V	95.6	Very high	88.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	146.4	176.2	-66.6	0	0	0	0	111.2	A127 Y136 P239 I240	A127-V169 HydrophobicContact CB-CG1 4.25Å; Y136-V169 HydrophobicContact CD1-CB 4.05Å; Y136-V169 HydrophobicContact CD1-CG2 3.95Å; Y136-V169 HydrophobicContact CD2-CB 3.87Å; Y136-V169 HydrophobicContact CD2-CG1 3.87Å; Y136-V169 HydrophobicContact CD2-CG2 3.96Å; Y136-V169 HydrophobicContact CE1-CG2 4.13Å; Y136-V169 HydrophobicContact CE2-CG2 4.15Å; Y136-V169 HydrophobicContact CG-CB 3.59Å; Y136-V169 HydrophobicContact CG-CG1 4.04Å; Y136-V169 HydrophobicContact CG-CG2 3.85Å; V169-P239 HydrophobicContact CG2-CB 4.11Å; V169-P239 CarbonylContact O-C 3.59Å; V169-P239 VanDerWaalsContact O-CA 3.27Å; V169-P239 WeakPolarHBondContact O-CA 3.36Å; V169-I240 PolarHBondContact O-N 3.31Å
170	Y	92.4	Very high	88	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	139.6	174.5	-67.9	-82.6	0	0	0	111.9	L115 Y136 M137 A138 L140 Y180 I240 L242	L115-Y170 HydrophobicContact CD2-CE2 3.91Å; L115-Y170 HydrophobicContact CG-CE2 4.31Å; Y136-Y170 WeakPolarHBondContact CB-O 3.35Å; M137-Y170 PolarHBondContact N-O 2.85Å; A138-Y170 HydrophobicContact CB-CD2 3.45Å; A138-Y170 VanDerWaalsContact CB-CD2 3.45Å; A138-Y170 HydrophobicContact CB-CE2 4.26Å; A138-Y170 HydrophobicContact CB-CG 4.06Å; A138-Y170 PolarHBondContact O-N 3.36Å; L140-Y170 HydrophobicContact CB-CE2 3.71Å; L140-Y170 WeakPolarHBondContact CB-OH 3.5Å; Y170-Y180 AromaticContact CE1-CE1 3.94Å; Y170-Y180 HydrophobicContact CE1-CE1 3.94Å; Y170-Y180 HydrophobicContact CE1-CE2 4.36Å; Y170-Y180 AromaticContact CE1-CZ 3.7Å; Y170-Y180 AromaticContact CZ-CE1 3.98Å; Y170-Y180 AromaticContact CZ-CZ 3.96Å; Y170-Y180 WeakPolarHBondContact OH-CE1 3.29Å; Y170-Y180 VanDerWaalsContact OH-CZ 3.26Å; Y170-Y180 PolarHBondContact OH-OH 3.39Å; Y170-I240 CarbonylContact C-O 3.46Å; Y170-I240 VanDerWaalsContact CA-O 3.24Å; Y170-I240 WeakPolarHBondContact CA-O 3.21Å; Y170-I240 HydrophobicContact CD1-CB 3.58Å; Y170-I240 HydrophobicContact CD1-CD1 4.46Å; Y170-I240 HydrophobicContact CD1-CG2 3.69Å; Y170-I240 HydrophobicContact CE1-CB 3.7Å; Y170-I240 HydrophobicContact CE1-CD1 3.88Å; Y170-I240 HydrophobicContact CE1-CG1 4.4Å; Y170-I240 HydrophobicContact CE1-CG2 3.53Å; Y170-I240 HydrophobicContact CG-CB 4.49Å; Y170-L242 HydrophobicContact CD1-CD1 3.55Å; Y170-L242 HydrophobicContact CD1-CG 3.68Å; Y170-L242 HydrophobicContact CE1-CD1 3.7Å; Y170-L242 HydrophobicContact CE1-CD2 4.44Å; Y170-L242 HydrophobicContact CE1-CG 3.99Å; Y170-L242 HydrophobicContact CG-CD1 4.26Å
171	D	81.1	Confident	87.9	Confident	63 Å²	63	46.6 Å²	46.6	34%	0.337	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	165.7	174.7	-165	9.1	0	0	0	110.8	Y136 G173 P239 I240 S241 L242	Y136-D171 HydrophobicContact CD1-CB 4.3Å; Y136-D171 HydrophobicContact CE1-CB 4.46Å; D171-G173 PolarHBondContact O-N 3.23Å; D171-P239 HydrophobicContact CB-CB 3.78Å; D171-P239 HydrophobicContact CB-CG 4.09Å; D171-I240 PolarHBondContact N-O 2.79Å; D171-S241 WeakPolarHBondContact O-CA 3.31Å; D171-L242 PolarHBondContact O-N 3.02Å; D171-L242 VanDerWaalsContact O-N 3.1Å
172	Y	73.3	Confident	87.8	Confident	95 Å²	95	50.4 Å²	50.4	37%	0.373	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	121.8	176.7	-76.8	-60.2	0	0	0	111.5	M137 H244 I247	M137-Y172 HydrophobicContact CE-CD2 3.7Å; M137-Y172 HydrophobicContact CE-CE2 3.19Å; M137-Y172 HydrophobicContact CG-CD2 4.3Å; M137-Y172 HydrophobicContact CG-CE2 4Å; M137-Y172 HydrophobicContact SD-CD2 4.38Å; M137-Y172 HydrophobicContact SD-CE2 3.6Å; M137-Y172 VanDerWaalsContact SD-CE2 3.6Å; Y172-H244 HydrophobicContact CD1-CB 4.48Å; Y172-H244 HydrophobicContact CE1-CB 4.38Å; Y172-H244 AromaticContact CE1-ND1 3.36Å; Y172-H244 WeakPolarHBondContact CE1-ND1 3.3Å; Y172-H244 AromaticContact CZ-ND1 3.85Å; Y172-I247 HydrophobicContact CD1-CD1 3.51Å; Y172-I247 HydrophobicContact CE1-CB 4.45Å; Y172-I247 HydrophobicContact CE1-CD1 3.51Å; Y172-I247 HydrophobicContact CE1-CG2 4.45Å; Y172-I247 HydrophobicContact CG-CD1 4.37Å
173	G	64.4	Low	87.6	Confident	17 Å²	17	51 Å²	51	18%	0.175	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	147.3	165.3	0	0	0	0	0	111.4	D171 F175 L242	D171-G173 PolarHBondContact O-N 3.23Å; G173-F175 VanDerWaalsContact C-N 3.27Å; G173-F175 PolarHBondContact O-N 3.04Å; G173-L242 PolarHBondContact N-O 2.81Å
174	H	53.6	Low	87.5	Confident	177 Å²	177	51.4 Å²	51.4	82%	0.819	25%	0.252	S	S	*	.	S	Bend	trans	-71.3	-22.8	172.3	-66.9	-61.3	0	0	0	113.3
175	F	68.3	Low	87.2	Confident	171 Å²	171	54 Å²	54	75%	0.75	27%	0.271	S	S	*	.	S	Bend	trans	-121	153.9	-174.6	-57.4	-72.1	0	0	0	111.1	G173 N177	G173-F175 VanDerWaalsContact C-N 3.27Å; G173-F175 PolarHBondContact O-N 3.04Å; F175-N177 PolarHBondContact O-N 2.87Å
176	E	78.1	Confident	87.1	Confident	106 Å²	106	54.7 Å²	54.7	50%	0.495	27%	0.274	S	S	.	.			trans	-61.3	131.8	169.7	-70.4	-157.8	155	0	0	110.5	T178	E176-T178 PolarHBondContact O-N 3.22Å
177	N	86.8	Confident	87	Confident	31 Å²	31	54.7 Å²	54.7	17%	0.166	27%	0.274	C	S	.	.			trans	-81.5	103.7	170.3	-172.2	-34.1	0	0	0	108.7	F175 Y179 Y180 S241 L242 Q246	F175-N177 PolarHBondContact O-N 2.87Å; N177-Y179 PolarHBondContact O-N 3.04Å; N177-Y179 WeakPolarHBondContact OD1-CB 3.4Å; N177-Y179 WeakPolarHBondContact OD1-CD2 3.22Å; N177-Y179 PolarHBondContact OD1-N 3.23Å; N177-Y179 VanDerWaalsContact OD1-N 3.17Å; N177-Y180 HydrophobicContact CB-CD2 4.33Å; N177-Y180 PolarHBondContact O-N 3.23Å; N177-S241 WeakPolarHBondContact CB-O 3.38Å; N177-S241 PolarHBondContact ND2-O 2.99Å; N177-L242 HydrophobicContact CB-CD2 3.7Å; N177-Q246 PolarHBondContact O-NE2 3.02Å
178	T	91.3	Very high	86.9	Confident	102 Å²	102	60.8 Å²	60.8	63%	0.626	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-63.8	-23.7	-174.4	52.2	0	0	0	0	113.4	E176 Y180 S181	E176-T178 PolarHBondContact O-N 3.22Å; T178-Y180 PolarHBondContact O-N 2.76Å; T178-S181 WeakPolarHBondContact CA-OG 3.29Å; T178-S181 PolarHBondContact O-N 2.96Å; T178-S181 PolarHBondContact O-OG 3.01Å
179	Y	92.3	Very high	86.9	Confident	136 Å²	136	67 Å²	67	53%	0.533	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-69.7	-18.8	175.9	-56.2	-66.6	0	0	0	112.6	N177 D206	N177-Y179 PolarHBondContact O-N 3.04Å; N177-Y179 WeakPolarHBondContact OD1-CB 3.4Å; N177-Y179 WeakPolarHBondContact OD1-CD2 3.22Å; N177-Y179 PolarHBondContact OD1-N 3.23Å; N177-Y179 VanDerWaalsContact OD1-N 3.17Å; Y179-D206 WeakPolarHBondContact CB-O 3.34Å; Y179-D206 HydrophobicContact CD1-CB 3.5Å; Y179-D206 VanDerWaalsContact CD1-CB 3.5Å; Y179-D206 WeakPolarHBondContact CD2-O 3.24Å; Y179-D206 HydrophobicContact CE1-CB 3.81Å; Y179-D206 HydrophobicContact CG-CB 3.92Å
180	Y	93.9	Very high	87	Confident	0 Å²	0	67 Å²	67	0%	0	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-98.5	-9.1	177	-83.3	-96.1	0	0	0	114.1	Y170 N177 T178 D182 F183 I184 M207 I240 L242	Y170-Y180 AromaticContact CE1-CE1 3.94Å; Y170-Y180 HydrophobicContact CE1-CE1 3.94Å; Y170-Y180 HydrophobicContact CE1-CE2 4.36Å; Y170-Y180 AromaticContact CE1-CZ 3.7Å; Y170-Y180 AromaticContact CZ-CE1 3.98Å; Y170-Y180 AromaticContact CZ-CZ 3.96Å; Y170-Y180 WeakPolarHBondContact OH-CE1 3.29Å; Y170-Y180 VanDerWaalsContact OH-CZ 3.26Å; Y170-Y180 PolarHBondContact OH-OH 3.39Å; N177-Y180 HydrophobicContact CB-CD2 4.33Å; N177-Y180 PolarHBondContact O-N 3.23Å; T178-Y180 PolarHBondContact O-N 2.76Å; Y180-D182 PolarHBondContact O-N 3.12Å; Y180-F183 HydrophobicContact CD1-CD1 4Å; Y180-F183 WeakPolarHBondContact O-CB 3.15Å; Y180-F183 PolarHBondContact O-N 3.36Å; Y180-F183 VanDerWaalsContact O-N 3.15Å; Y180-I184 WeakPolarHBondContact O-CB 3.32Å; Y180-I184 WeakPolarHBondContact O-CG1 3.3Å; Y180-I184 PolarHBondContact O-N 3.22Å; Y180-M207 HydrophobicContact CD1-CE 3.77Å; Y180-M207 HydrophobicContact CE1-CE 3.29Å; Y180-M207 HydrophobicContact CE2-CB 3.79Å; Y180-M207 HydrophobicContact CE2-CE 4.27Å; Y180-M207 HydrophobicContact CE2-CG 4.19Å; Y180-M207 WeakPolarHBondContact CE2-O 3.26Å; Y180-M207 HydrophobicContact CG-CE 4.4Å; Y180-M207 PolarHBondContact OH-O 2.96Å; Y180-I240 HydrophobicContact CE2-CG2 3.81Å; Y180-L242 HydrophobicContact CD1-CD2 4.05Å; Y180-L242 HydrophobicContact CD2-CD2 3.65Å; Y180-L242 HydrophobicContact CE2-CD2 4.2Å; Y180-L242 HydrophobicContact CG-CD2 3.56Å
181	S	90.8	Very high	87.2	Confident	39 Å²	39	70.4 Å²	70.4	27%	0.273	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-44.3	-173	-61.4	0	0	0	0	113.2	T178 S185	T178-S181 WeakPolarHBondContact CA-OG 3.29Å; T178-S181 PolarHBondContact O-N 2.96Å; T178-S181 PolarHBondContact O-OG 3.01Å; S181-S185 WeakPolarHBondContact O-CB 3.32Å; S181-S185 PolarHBondContact O-N 2.92Å; S181-S185 PolarHBondContact O-OG 3.44Å; S181-S185 VanDerWaalsContact O-OG 3.07Å
182	D	91.4	Very high	88	Confident	119 Å²	119	72.3 Å²	72.3	64%	0.636	35%	0.348	S	S	*	.	H	α-helix	trans	-66.1	-42.1	177.6	-77.1	-8.3	0	0	0	111.5	Y180 S185 N186	Y180-D182 PolarHBondContact O-N 3.12Å; D182-S185 PolarHBondContact O-OG 2.88Å; D182-N186 WeakPolarHBondContact O-CB 3.44Å; D182-N186 PolarHBondContact O-N 3.25Å; D182-N186 VanDerWaalsContact O-N 3.15Å; D182-N186 PolarHBondContact O-ND2 3.22Å
183	F	94.4	Very high	89.2	Confident	13 Å²	13	69.3 Å²	69.3	6%	0.057	34%	0.343	C	S	.	.	H	α-helix	trans	-60.2	-53	175.9	170.3	-95	0	0	0	111.3	M83 V90 I92 L115 Y180 S185 N186 L187 M207 L250	M83-F183 HydrophobicContact CE-CD2 3.64Å; M83-F183 HydrophobicContact CE-CE2 3.6Å; M83-F183 HydrophobicContact CE-CG 4.42Å; M83-F183 HydrophobicContact CE-CZ 4.33Å; M83-F183 HydrophobicContact SD-CD2 4.48Å; V90-F183 HydrophobicContact CG1-CE2 4.21Å; V90-F183 HydrophobicContact CG1-CZ 3.68Å; V90-F183 HydrophobicContact CG2-CE2 4.16Å; V90-F183 HydrophobicContact CG2-CZ 4.41Å; I92-F183 HydrophobicContact CD1-CD2 3.71Å; I92-F183 HydrophobicContact CD1-CE2 3.82Å; L115-F183 HydrophobicContact CD1-CE1 4.41Å; L115-F183 HydrophobicContact CD1-CE2 4.18Å; L115-F183 HydrophobicContact CD1-CZ 3.64Å; L115-F183 HydrophobicContact CD2-CE1 4Å; L115-F183 HydrophobicContact CD2-CZ 4Å; L115-F183 HydrophobicContact CG-CZ 4.48Å; Y180-F183 HydrophobicContact CD1-CD1 4Å; Y180-F183 WeakPolarHBondContact O-CB 3.15Å; Y180-F183 PolarHBondContact O-N 3.36Å; Y180-F183 VanDerWaalsContact O-N 3.15Å; F183-S185 PolarHBondContact O-N 2.79Å; F183-N186 PolarHBondContact O-N 3.35Å; F183-N186 VanDerWaalsContact O-N 3.14Å; F183-L187 HydrophobicContact CE1-CD2 4.23Å; F183-L187 HydrophobicContact CZ-CD2 4.12Å; F183-L187 PolarHBondContact O-N 2.55Å; F183-M207 HydrophobicContact CB-CE 4.47Å; F183-M207 HydrophobicContact CG-CE 4.48Å; F183-L250 HydrophobicContact CE1-CD1 4.46Å
184	I	95.2	Very high	90.7	Very high	7 Å²	7	71.3 Å²	71.3	4%	0.036	36%	0.363	C	S	.	.	H	α-helix	trans	-62.5	-41.9	-177.4	-66.1	-64.7	0	0	0	111.2	Y180 N186 L187 Q246 K249	Y180-I184 WeakPolarHBondContact O-CB 3.32Å; Y180-I184 WeakPolarHBondContact O-CG1 3.3Å; Y180-I184 PolarHBondContact O-N 3.22Å; I184-N186 VanDerWaalsContact C-N 3.26Å; I184-N186 PolarHBondContact O-N 2.79Å; I184-L187 HydrophobicContact CD1-CD1 4.07Å; I184-L187 WeakPolarHBondContact O-CB 3.01Å; I184-L187 WeakPolarHBondContact O-CG 3.44Å; I184-L187 PolarHBondContact O-N 3.17Å; I184-Q246 HydrophobicContact CD1-CB 4.41Å; I184-Q246 HydrophobicContact CG1-CB 4.24Å; I184-Q246 HydrophobicContact CG1-CG 4.23Å; I184-K249 HydrophobicContact CG2-CB 3.75Å; I184-K249 HydrophobicContact CG2-CD 3.5Å; I184-K249 VanDerWaalsContact CG2-CD 3.5Å; I184-K249 HydrophobicContact CG2-CG 4.28Å
185	S	93.8	Very high	92.9	Very high	56 Å²	56	66.6 Å²	66.6	39%	0.392	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-25.2	177.9	66.9	0	0	0	0	113.7	S181 D182 F183	S181-S185 WeakPolarHBondContact O-CB 3.32Å; S181-S185 PolarHBondContact O-N 2.92Å; S181-S185 PolarHBondContact O-OG 3.44Å; S181-S185 VanDerWaalsContact O-OG 3.07Å; D182-S185 PolarHBondContact O-OG 2.88Å; F183-S185 PolarHBondContact O-N 2.79Å
186	N	96.4	Very high	94.3	Very high	17 Å²	17	61.2 Å²	61.2	9%	0.091	33%	0.325	C	S	.	.	H	α-helix	trans	-79.9	-15.4	178.7	-77	-31.5	0	0	0	113.5	M83 D182 F183 I184 E188 K189 M197	M83-N186 HydrophobicContact CE-CB 4.18Å; M83-N186 HydrophobicContact SD-CB 3.85Å; D182-N186 WeakPolarHBondContact O-CB 3.44Å; D182-N186 PolarHBondContact O-N 3.25Å; D182-N186 VanDerWaalsContact O-N 3.15Å; D182-N186 PolarHBondContact O-ND2 3.22Å; F183-N186 PolarHBondContact O-N 3.35Å; F183-N186 VanDerWaalsContact O-N 3.14Å; I184-N186 VanDerWaalsContact C-N 3.26Å; I184-N186 PolarHBondContact O-N 2.79Å; N186-E188 VanDerWaalsContact C-N 3.26Å; N186-E188 PolarHBondContact O-N 3.45Å; N186-K189 WeakPolarHBondContact O-CB 3.37Å; N186-K189 PolarHBondContact O-N 3.35Å; N186-K189 PolarHBondContact OD1-NZ 3.48Å; N186-M197 HydrophobicContact CB-CE 4.11Å; N186-M197 HydrophobicContact CB-SD 3.61Å; N186-M197 WeakPolarHBondContact OD1-CE 3.34Å
187	L	97.4	Very high	95.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-55.7	-40.9	177.7	-62.3	175.6	0	0	0	112	M83 V90 F183 I184 K189 I190 K191 L250 T253 L254	M83-L187 HydrophobicContact CE-CD2 3.73Å; M83-L187 HydrophobicContact CE-CG 4.49Å; V90-L187 HydrophobicContact CB-CD2 4.3Å; V90-L187 HydrophobicContact CG1-CD2 4.06Å; V90-L187 HydrophobicContact CG2-CD2 4.21Å; F183-L187 HydrophobicContact CE1-CD2 4.23Å; F183-L187 HydrophobicContact CZ-CD2 4.12Å; F183-L187 PolarHBondContact O-N 2.55Å; I184-L187 HydrophobicContact CD1-CD1 4.07Å; I184-L187 WeakPolarHBondContact O-CB 3.01Å; I184-L187 WeakPolarHBondContact O-CG 3.44Å; I184-L187 PolarHBondContact O-N 3.17Å; L187-K189 PolarHBondContact O-N 3.06Å; L187-I190 CarbonylContact O-C 3.5Å; L187-I190 WeakPolarHBondContact O-CG1 3.31Å; L187-I190 PolarHBondContact O-N 3.23Å; L187-I190 VanDerWaalsContact O-N 3.11Å; L187-K191 PolarHBondContact O-N 3.16Å; L187-L250 HydrophobicContact CD1-CD1 4.33Å; L187-T253 HydrophobicContact CB-CG2 3.71Å; L187-L254 HydrophobicContact CB-CD2 4.29Å; L187-L254 HydrophobicContact CD2-CD1 4.13Å; L187-L254 HydrophobicContact CD2-CD2 4.45Å; L187-L254 HydrophobicContact CD2-CG 4.45Å; L187-L254 WeakPolarHBondContact O-CD2 3.42Å
188	E	96.1	Very high	95.7	Very high	128 Å²	128	60.6 Å²	60.6	60%	0.598	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-62.4	-26.2	180	-66.9	179.2	-175.6	0	0	113.1	N186 I190 T253	N186-E188 VanDerWaalsContact C-N 3.26Å; N186-E188 PolarHBondContact O-N 3.45Å; E188-I190 VanDerWaalsContact C-N 3.28Å; E188-I190 PolarHBondContact O-N 3.24Å; E188-T253 HydrophobicContact CB-CG2 4.38Å; E188-T253 HydrophobicContact CG-CG2 3.83Å
189	K	97.8	Very high	95.9	Very high	129 Å²	129	56.7 Å²	56.7	56%	0.561	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-79.3	-13.1	-179.3	-60.2	174	-174	162.5	0	113	N186 L187 M197	N186-K189 WeakPolarHBondContact O-CB 3.37Å; N186-K189 PolarHBondContact O-N 3.35Å; N186-K189 PolarHBondContact OD1-NZ 3.48Å; L187-K189 PolarHBondContact O-N 3.06Å; K189-M197 HydrophobicContact CB-SD 3.74Å; K189-M197 HydrophobicContact CD-CE 4.07Å; K189-M197 HydrophobicContact CD-SD 3.74Å; K189-M197 HydrophobicContact CG-SD 4.36Å
190	I	98.1	Very high	96	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-127.5	32.9	178.1	58	166.8	0	0	0	111.2	M83 N85 V90 L187 E188 Y192 Q195 M197 L254	M83-I190 HydrophobicContact CE-CD1 3.98Å; M83-I190 HydrophobicContact CG-CD1 3.76Å; M83-I190 HydrophobicContact SD-CD1 4.28Å; N85-I190 HydrophobicContact CB-CB 4.29Å; N85-I190 HydrophobicContact CB-CD1 4.29Å; N85-I190 HydrophobicContact CB-CG1 4.44Å; N85-I190 WeakPolarHBondContact CB-O 3.32Å; N85-I190 PolarHBondContact ND2-O 3.44Å; V90-I190 HydrophobicContact CG2-CD1 3.77Å; L187-I190 CarbonylContact O-C 3.5Å; L187-I190 WeakPolarHBondContact O-CG1 3.31Å; L187-I190 PolarHBondContact O-N 3.23Å; L187-I190 VanDerWaalsContact O-N 3.11Å; E188-I190 VanDerWaalsContact C-N 3.28Å; E188-I190 PolarHBondContact O-N 3.24Å; I190-Y192 VanDerWaalsContact C-N 3.28Å; I190-Y192 PolarHBondContact O-N 3.23Å; I190-Q195 VanDerWaalsContact C-OE1 3.29Å; I190-Q195 HydrophobicContact CB-CB 4.12Å; I190-Q195 HydrophobicContact CG2-CB 4.31Å; I190-M197 HydrophobicContact CG2-CB 3.95Å; I190-M197 HydrophobicContact CG2-CG 3.71Å; I190-M197 HydrophobicContact CG2-SD 4.47Å; I190-L254 HydrophobicContact CG1-CD2 4.15Å; I190-L254 WeakPolarHBondContact O-CD2 3.31Å
191	K	97.6	Very high	96	Very high	73 Å²	73	57.3 Å²	57.3	32%	0.317	32%	0.324	S	S	.	.			trans	-49.7	-44.5	-175	175.1	159.1	-172.8	174.6	0	113.6	N85 L187 Q195 T253 M255	N85-K191 PolarHBondContact ND2-O 2.95Å; L187-K191 PolarHBondContact O-N 3.16Å; K191-Q195 VanDerWaalsContact N-OE1 3.11Å; K191-T253 WeakPolarHBondContact CG-O 3.44Å; K191-M255 HydrophobicContact CD-SD 4.42Å; K191-M255 VanDerWaalsContact CE-SD 3.59Å; K191-M255 HydrophobicContact CG-CG 4.29Å; K191-M255 HydrophobicContact CG-SD 4.09Å; K191-M255 PolarHBondContact O-N 3.07Å
192	Y	97.9	Very high	96.1	Very high	102 Å²	102	55.9 Å²	55.9	40%	0.4	31%	0.313	S	S	.	.	S	Bend	trans	-94.8	146.6	-174.5	-58	-84.4	0	0	0	112.4	N85 I190 G194 Q195 M255	N85-Y192 VanDerWaalsContact ND2-C 3.33Å; I190-Y192 VanDerWaalsContact C-N 3.28Å; I190-Y192 PolarHBondContact O-N 3.23Å; Y192-G194 PolarHBondContact O-N 3.26Å; Y192-Q195 VanDerWaalsContact O-CB 3.24Å; Y192-Q195 WeakPolarHBondContact O-CB 3.23Å; Y192-Q195 WeakPolarHBondContact O-CG 3.19Å; Y192-Q195 PolarHBondContact O-N 2.86Å; Y192-M255 HydrophobicContact CD1-CB 4.44Å; Y192-M255 HydrophobicContact CD1-SD 3.57Å; Y192-M255 VanDerWaalsContact CD1-SD 3.57Å; Y192-M255 HydrophobicContact CE1-CE 4.45Å; Y192-M255 HydrophobicContact CE1-SD 3.24Å; Y192-M255 WeakPolarHBondContact CE1-SD 3.46Å
193	A	97.3	Very high	96.2	Very high	33 Å²	33	51.2 Å²	51.2	27%	0.273	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	135.5	176.7	0	0	0	0	0	112.1	N85 Q195 M255	N85-A193 PolarHBondContact ND2-N 2.79Å; A193-Q195 VanDerWaalsContact C-N 3.3Å; A193-Q195 PolarHBondContact O-N 2.87Å; A193-M255 PolarHBondContact N-O 2.89Å
194	G	97.1	Very high	96.3	Very high	59 Å²	59	50.6 Å²	50.6	61%	0.608	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	-11.1	-175.9	0	0	0	0	0	114.6	N85 Y192	N85-G194 WeakPolarHBondContact O-CA 3.49Å; N85-G194 PolarHBondContact O-N 2.95Å; Y192-G194 PolarHBondContact O-N 3.26Å
195	Q	98.4	Very high	96.4	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.36	30%	0.3	S	S	.	.			trans	-70.2	142.6	173.6	-67.6	-174.3	-38.3	0	0	111.1	T84 N85 I190 K191 Y192 A193	T84-Q195 WeakPolarHBondContact CA-O 3.17Å; N85-Q195 PolarHBondContact N-O 2.83Å; I190-Q195 VanDerWaalsContact C-OE1 3.29Å; I190-Q195 HydrophobicContact CB-CB 4.12Å; I190-Q195 HydrophobicContact CG2-CB 4.31Å; K191-Q195 VanDerWaalsContact N-OE1 3.11Å; Y192-Q195 VanDerWaalsContact O-CB 3.24Å; Y192-Q195 WeakPolarHBondContact O-CB 3.23Å; Y192-Q195 WeakPolarHBondContact O-CG 3.19Å; Y192-Q195 PolarHBondContact O-N 2.86Å; A193-Q195 VanDerWaalsContact C-N 3.3Å; A193-Q195 PolarHBondContact O-N 2.87Å
196	S	98.5	Very high	96.4	Very high	58 Å²	58	54.1 Å²	54.1	41%	0.406	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.9	177	-48.6	0	0	0	0	110.6	M83 T84	M83-S196 CarbonylContact O-C 3.58Å; M83-S196 VanDerWaalsContact O-CA 3.25Å; M83-S196 WeakPolarHBondContact O-CA 3.47Å; T84-S196 WeakPolarHBondContact CG2-OG 3.19Å; T84-S196 PolarHBondContact OG1-OG 2.85Å
197	M	97.9	Very high	96.4	Very high	34 Å²	34	53.9 Å²	53.9	17%	0.167	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	169.6	170.2	69.7	167.4	-77.7	0	0	110.6	R82 M83 N186 K189 I190 I199	R82-M197 CarbonylContact C-O 3.59Å; R82-M197 WeakPolarHBondContact CA-O 3.4Å; M83-M197 HydrophobicContact CB-CG 4.08Å; M83-M197 PolarHBondContact N-O 3.18Å; M83-M197 PolarHBondContact O-N 2.82Å; N186-M197 HydrophobicContact CB-CE 4.11Å; N186-M197 HydrophobicContact CB-SD 3.61Å; N186-M197 WeakPolarHBondContact OD1-CE 3.34Å; K189-M197 HydrophobicContact CB-SD 3.74Å; K189-M197 HydrophobicContact CD-CE 4.07Å; K189-M197 HydrophobicContact CD-SD 3.74Å; K189-M197 HydrophobicContact CG-SD 4.36Å; I190-M197 HydrophobicContact CG2-CB 3.95Å; I190-M197 HydrophobicContact CG2-CG 3.71Å; I190-M197 HydrophobicContact CG2-SD 4.47Å; M197-I199 HydrophobicContact CE-CG2 3.97Å
198	N	97	Very high	96.3	Very high	90 Å²	90	54.6 Å²	54.6	48%	0.481	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	126.6	-178.6	-80.1	-13.9	0	0	0	109.3	N80 F81	N80-N198 PolarHBondContact ND2-ND2 2.96Å; N80-N198 WeakPolarHBondContact OD1-CB 3.34Å; N80-N198 PolarHBondContact OD1-ND2 2.83Å; N80-N198 PolarHBondContact OD1-OD1 3.49Å; N80-N198 VanDerWaalsContact OD1-OD1 3.12Å; F81-N198 CarbonylContact O-C 3.54Å; F81-N198 WeakPolarHBondContact O-CA 3.17Å
199	I	95.1	Very high	96.1	Very high	21 Å²	21	49 Å²	49	11%	0.108	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	136.3	170.2	62.8	178.3	0	0	0	109.2	F81 M83 I92 M197 I202	F81-I199 HydrophobicContact CB-CD1 4.12Å; F81-I199 HydrophobicContact CB-CG1 3.64Å; F81-I199 HydrophobicContact CD2-CG1 4.19Å; F81-I199 WeakPolarHBondContact CD2-O 3.44Å; F81-I199 HydrophobicContact CG-CG1 4.38Å; F81-I199 PolarHBondContact N-O 3.04Å; F81-I199 WeakPolarHBondContact O-CG1 3.43Å; F81-I199 PolarHBondContact O-N 2.79Å; M83-I199 HydrophobicContact SD-CG2 4.41Å; I92-I199 HydrophobicContact CD1-CD1 4.14Å; I92-I199 HydrophobicContact CG2-CD1 4.03Å; M197-I199 HydrophobicContact CE-CG2 3.97Å; I199-I202 HydrophobicContact CD1-CB 4.29Å; I199-I202 HydrophobicContact CD1-CD1 4.03Å; I199-I202 HydrophobicContact CD1-CG1 4.33Å
200	S	93.9	Very high	95.5	Very high	92 Å²	92	51.9 Å²	51.9	64%	0.643	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.4	-19.7	-171.3	52.9	0	0	0	0	113.8	G79	G79-S200 PolarHBondContact N-O 3.02Å; G79-S200 CarbonylContact O-C 3.52Å; G79-S200 VanDerWaalsContact O-CA 3.28Å; G79-S200 WeakPolarHBondContact O-CA 3.17Å
201	S	94.1	Very high	95.1	Very high	57 Å²	57	54.2 Å²	54.2	40%	0.399	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151	175.8	53.3	0	0	0	0	111	Q77	Q77-S201 CarbonylContact O-C 3.57Å; Q77-S201 WeakPolarHBondContact O-CA 3.47Å; Q77-S201 WeakPolarHBondContact O-CB 3.48Å
202	I	93.1	Very high	94.9	Very high	9 Å²	9	51.8 Å²	51.8	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.5	173.8	-163.3	171	0	0	0	109.9	T76 Q77 F81 I92 L94 M98 M113 I199 V204	T76-I202 WeakPolarHBondContact CA-O 2.91Å; Q77-I202 HydrophobicContact CB-CG2 4.42Å; Q77-I202 PolarHBondContact N-O 2.78Å; Q77-I202 PolarHBondContact O-N 3.07Å; F81-I202 HydrophobicContact CD1-CG2 4.17Å; F81-I202 HydrophobicContact CD2-CB 4.15Å; F81-I202 HydrophobicContact CD2-CG2 3.84Å; F81-I202 HydrophobicContact CE1-CG2 4.07Å; F81-I202 HydrophobicContact CE2-CB 4.32Å; F81-I202 HydrophobicContact CE2-CG2 3.73Å; F81-I202 HydrophobicContact CG-CG2 4.07Å; F81-I202 HydrophobicContact CZ-CG2 3.85Å; I92-I202 HydrophobicContact CG2-CD1 3.77Å; L94-I202 HydrophobicContact CD2-CD1 3.88Å; M98-I202 HydrophobicContact CE-CG2 3.93Å; M113-I202 HydrophobicContact CE-CD1 3.5Å; M113-I202 VanDerWaalsContact CE-CD1 3.5Å; M113-I202 HydrophobicContact CE-CG1 4.45Å; M113-I202 HydrophobicContact SD-CD1 4.44Å; I199-I202 HydrophobicContact CD1-CB 4.29Å; I199-I202 HydrophobicContact CD1-CD1 4.03Å; I199-I202 HydrophobicContact CD1-CG1 4.33Å; I202-V204 HydrophobicContact CD1-CG2 3.82Å; I202-V204 HydrophobicContact CG1-CG2 3.89Å
203	A	93.2	Very high	94.8	Very high	20 Å²	20	49 Å²	49	17%	0.165	29%	0.288	C	S	.	.			trans	-122.6	76.5	176.7	0	0	0	0	0	108.4	T76 R205 D206	T76-A203 WeakPolarHBondContact OG1-CB 3.44Å; A203-R205 PolarHBondContact O-N 3.33Å; A203-D206 HydrophobicContact CB-CB 4.2Å; A203-D206 WeakPolarHBondContact CB-OD2 3.36Å; A203-D206 PolarHBondContact O-N 3.04Å
204	V	96.6	Very high	94.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-36.2	-174.7	-179.4	0	0	0	0	110.3	Y74 L94 M98 M113 I202 D206 M207 L208	Y74-V204 HydrophobicContact CD1-CB 3.84Å; Y74-V204 HydrophobicContact CD1-CG1 3.61Å; Y74-V204 HydrophobicContact CE1-CB 4.29Å; Y74-V204 HydrophobicContact CE1-CG1 3.65Å; Y74-V204 PolarHBondContact O-N 3.27Å; L94-V204 HydrophobicContact CD2-CG2 3.93Å; M98-V204 HydrophobicContact CE-CB 4.39Å; M98-V204 HydrophobicContact CE-CG2 3.78Å; M98-V204 HydrophobicContact SD-CG2 3.94Å; M113-V204 HydrophobicContact SD-CG1 4.25Å; M113-V204 HydrophobicContact SD-CG2 4.03Å; I202-V204 HydrophobicContact CD1-CG2 3.82Å; I202-V204 HydrophobicContact CG1-CG2 3.89Å; V204-D206 VanDerWaalsContact C-N 3.25Å; V204-D206 PolarHBondContact O-N 2.83Å; V204-M207 WeakPolarHBondContact O-CB 3.5Å; V204-M207 PolarHBondContact O-N 2.94Å; V204-L208 WeakPolarHBondContact O-CG 3.31Å; V204-L208 PolarHBondContact O-N 3.49Å
205	R	96.8	Very high	94.7	Very high	76 Å²	76	47.8 Å²	47.8	29%	0.287	26%	0.26	S	S	.	.	H	α-helix	trans	-54.8	-41.3	178.3	-175.8	59.6	-179.2	126.3	-4.3	112.9	Y74 A203 M207 L208 P209	Y74-R205 WeakPolarHBondContact O-CB 3.44Å; Y74-R205 PolarHBondContact O-N 2.85Å; A203-R205 PolarHBondContact O-N 3.33Å; R205-M207 VanDerWaalsContact C-N 3.25Å; R205-M207 PolarHBondContact O-N 3.1Å; R205-L208 PolarHBondContact O-N 2.73Å; R205-P209 PolarHBondContact NH1-O 2.95Å
206	D	95.3	Very high	94.7	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.332	24%	0.243	S	C	.	.	H	α-helix	trans	-72.5	-21	-178.2	-65.3	-14.6	0	0	0	112.7	Y179 A203 V204 L208	Y179-D206 WeakPolarHBondContact CB-O 3.34Å; Y179-D206 HydrophobicContact CD1-CB 3.5Å; Y179-D206 VanDerWaalsContact CD1-CB 3.5Å; Y179-D206 WeakPolarHBondContact CD2-O 3.24Å; Y179-D206 HydrophobicContact CE1-CB 3.81Å; Y179-D206 HydrophobicContact CG-CB 3.92Å; A203-D206 HydrophobicContact CB-CB 4.2Å; A203-D206 WeakPolarHBondContact CB-OD2 3.36Å; A203-D206 PolarHBondContact O-N 3.04Å; V204-D206 VanDerWaalsContact C-N 3.25Å; V204-D206 PolarHBondContact O-N 2.83Å; D206-L208 VanDerWaalsContact C-N 3.33Å
207	M	95.3	Very high	94.7	Very high	12 Å²	12	42.7 Å²	42.7	6%	0.059	23%	0.229	C	C	.	.	H	α-helix	trans	-81.9	-13.1	175.1	-62	177.5	71.9	0	0	112.4	M113 Y180 F183 V204 R205 I240	M113-M207 HydrophobicContact CE-CE 4.08Å; M113-M207 HydrophobicContact CE-SD 4Å; Y180-M207 HydrophobicContact CD1-CE 3.77Å; Y180-M207 HydrophobicContact CE1-CE 3.29Å; Y180-M207 HydrophobicContact CE2-CB 3.79Å; Y180-M207 HydrophobicContact CE2-CE 4.27Å; Y180-M207 HydrophobicContact CE2-CG 4.19Å; Y180-M207 WeakPolarHBondContact CE2-O 3.26Å; Y180-M207 HydrophobicContact CG-CE 4.4Å; Y180-M207 PolarHBondContact OH-O 2.96Å; F183-M207 HydrophobicContact CB-CE 4.47Å; F183-M207 HydrophobicContact CG-CE 4.48Å; V204-M207 WeakPolarHBondContact O-CB 3.5Å; V204-M207 PolarHBondContact O-N 2.94Å; R205-M207 VanDerWaalsContact C-N 3.25Å; R205-M207 PolarHBondContact O-N 3.1Å; M207-I240 WeakPolarHBondContact O-CD1 3.4Å
208	L	95.9	Very high	94.8	Very high	14 Å²	14	41.5 Å²	41.5	7%	0.073	22%	0.223	C	C	.	.	S	Bend	trans	-92.7	159.9	-178.1	-56.8	-176.3	0	0	0	111.9	L71 Y74 L140 F168 V204 R205 D206 L212	L71-L208 HydrophobicContact CD1-CD1 4.07Å; Y74-L208 HydrophobicContact CD1-CD1 4.32Å; Y74-L208 HydrophobicContact CE1-CD1 4.38Å; L140-L208 HydrophobicContact CD2-CD2 3.91Å; F168-L208 HydrophobicContact CD1-CD2 4.29Å; F168-L208 HydrophobicContact CD2-CD2 3.82Å; F168-L208 HydrophobicContact CE1-CB 4.38Å; F168-L208 HydrophobicContact CE1-CD1 4.41Å; F168-L208 HydrophobicContact CE1-CD2 3.99Å; F168-L208 HydrophobicContact CE1-CG 4.47Å; F168-L208 HydrophobicContact CE2-CD1 4.37Å; F168-L208 HydrophobicContact CE2-CD2 3.5Å; F168-L208 VanDerWaalsContact CE2-CD2 3.5Å; F168-L208 HydrophobicContact CG-CD2 4.2Å; F168-L208 HydrophobicContact CZ-CD1 3.84Å; F168-L208 HydrophobicContact CZ-CD2 3.59Å; F168-L208 HydrophobicContact CZ-CG 4.17Å; V204-L208 WeakPolarHBondContact O-CG 3.31Å; V204-L208 PolarHBondContact O-N 3.49Å; R205-L208 PolarHBondContact O-N 2.73Å; D206-L208 VanDerWaalsContact C-N 3.33Å; L208-L212 HydrophobicContact CB-CD2 4.37Å; L208-L212 HydrophobicContact CD1-CD1 4.37Å
209	P	92.4	Very high	94.8	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.065	22%	0.224	C	C	.	.			trans	-60.1	151.6	172	-19.2	31.5	0	0	0	112.2	F168 R205 N211 L212 T238 I240	F168-P209 VanDerWaalsContact CD1-CD 3.43Å; F168-P209 HydrophobicContact CD1-CG 3.91Å; F168-P209 HydrophobicContact CE1-CG 4.48Å; R205-P209 PolarHBondContact NH1-O 2.95Å; P209-N211 VanDerWaalsContact C-N 3.32Å; P209-N211 PolarHBondContact O-N 2.97Å; P209-L212 WeakPolarHBondContact O-CD2 3.4Å; P209-T238 HydrophobicContact CB-CG2 3.84Å; P209-T238 VanDerWaalsContact CG-O 3.22Å; P209-T238 WeakPolarHBondContact CG-O 3.38Å; P209-I240 HydrophobicContact CG-CG1 3.64Å
210	E	84.8	Confident	95	Very high	190 Å²	190	41.5 Å²	41.5	89%	0.888	22%	0.22	S	C	*	.	S	Bend	trans	-60.6	-44.8	174.7	-65.3	-173.9	170	0	0	111.2	L212	E210-L212 PolarHBondContact O-N 3Å
211	N	88.2	Confident	95.2	Very high	50 Å²	50	37.1 Å²	37.1	27%	0.267	19%	0.189	S	C	.	.			trans	-87.7	95.7	-179.7	-175.3	11.2	0	0	0	111.8	P209 S213 T238	P209-N211 VanDerWaalsContact C-N 3.32Å; P209-N211 PolarHBondContact O-N 2.97Å; N211-S213 VanDerWaalsContact C-N 3.34Å; N211-S213 WeakPolarHBondContact OD1-CA 3.4Å; N211-S213 WeakPolarHBondContact OD1-CB 3.18Å; N211-S213 PolarHBondContact OD1-N 3.17Å; N211-S213 PolarHBondContact OD1-OG 3.3Å; N211-T238 HydrophobicContact CB-CG2 4.4Å
212	L	95.3	Very high	95.4	Very high	22 Å²	22	35.8 Å²	35.8	12%	0.115	18%	0.178	C	C	.	.			trans	-91.7	7.2	169.7	-61.8	-167	0	0	0	113.6	L71 F168 L208 P209 E210 F236	L71-L212 HydrophobicContact CD1-CD1 3.87Å; F168-L212 HydrophobicContact CE1-CD2 3.68Å; F168-L212 HydrophobicContact CZ-CD2 4.36Å; L208-L212 HydrophobicContact CB-CD2 4.37Å; L208-L212 HydrophobicContact CD1-CD1 4.37Å; P209-L212 WeakPolarHBondContact O-CD2 3.4Å; E210-L212 PolarHBondContact O-N 3Å; L212-F236 HydrophobicContact CB-CD1 4.42Å; L212-F236 HydrophobicContact CB-CE1 3.78Å; L212-F236 HydrophobicContact CD2-CD1 3.88Å; L212-F236 HydrophobicContact CD2-CE1 3.67Å; L212-F236 HydrophobicContact CD2-CZ 4.2Å; L212-F236 HydrophobicContact CG-CE1 4.24Å; L212-F236 WeakPolarHBondContact O-CE1 3.09Å
213	S	95.1	Very high	95.6	Very high	44 Å²	44	35.7 Å²	35.7	31%	0.308	18%	0.177	S	C	.	.	S	Bend	trans	-84.8	-19	-174.7	74	0	0	0	0	114.3	Q68 N211 S280	Q68-S213 PolarHBondContact NE2-O 2.99Å; Q68-S213 VanDerWaalsContact NE2-O 3.13Å; Q68-S213 VanDerWaalsContact OE1-CA 3.22Å; Q68-S213 PolarHBondContact OE1-O 2.76Å; N211-S213 VanDerWaalsContact C-N 3.34Å; N211-S213 WeakPolarHBondContact OD1-CA 3.4Å; N211-S213 WeakPolarHBondContact OD1-CB 3.18Å; N211-S213 PolarHBondContact OD1-N 3.17Å; N211-S213 PolarHBondContact OD1-OG 3.3Å; S213-S280 PolarHBondContact O-OG 2.97Å
214	H	95.3	Very high	95.8	Very high	65 Å²	65	36.3 Å²	36.3	30%	0.301	18%	0.179	S	C	.	.			trans	-108.5	108.1	-177.3	-68.7	-171.4	0	0	0	110.8	D237 S280 F281	H214-D237 HydrophobicContact CB-CB 4.22Å; H214-D237 PolarHBondContact O-N 2.8Å; H214-S280 WeakPolarHBondContact CA-OG 3.5Å; H214-F281 HydrophobicContact CB-CB 4.42Å; H214-F281 HydrophobicContact CB-CD1 3.61Å; H214-F281 HydrophobicContact CB-CD2 4.32Å; H214-F281 HydrophobicContact CB-CE1 3.87Å; H214-F281 HydrophobicContact CB-CG 3.88Å; H214-F281 HydrophobicContact CB-CZ 4.31Å; H214-F281 AromaticContact CD2-CG 3.93Å; H214-F281 AromaticContact CG-CD1 3.95Å; H214-F281 AromaticContact CG-CD2 3.97Å; H214-F281 AromaticContact CG-CG 3.66Å; H214-F281 AromaticContact ND1-CD2 3.81Å; H214-F281 AromaticContact ND1-CG 3.98Å
215	F	97.8	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162.5	179.5	58.6	-95.3	0	0	0	112	M66 T234 V235 F236 S279 S280	M66-F215 HydrophobicContact CG-CE2 3.87Å; M66-F215 HydrophobicContact CG-CZ 3.98Å; M66-F215 HydrophobicContact SD-CD2 3.87Å; M66-F215 HydrophobicContact SD-CE2 3.21Å; M66-F215 WeakPolarHBondContact SD-CE2 3.33Å; M66-F215 HydrophobicContact SD-CZ 3.83Å; F215-T234 HydrophobicContact CB-CG2 3.77Å; F215-T234 HydrophobicContact CD1-CG2 4.43Å; F215-T234 HydrophobicContact CD2-CG2 3.48Å; F215-T234 VanDerWaalsContact CD2-CG2 3.48Å; F215-T234 HydrophobicContact CE2-CG2 4.11Å; F215-T234 HydrophobicContact CG-CG2 3.65Å; F215-V235 CarbonylContact C-O 3.58Å; F215-V235 VanDerWaalsContact CA-O 3.26Å; F215-V235 WeakPolarHBondContact CA-O 3.37Å; F215-V235 WeakPolarHBondContact CB-O 3.32Å; F215-F236 HydrophobicContact CB-CD1 3.95Å; F215-F236 HydrophobicContact CB-CE1 4.22Å; F215-F236 HydrophobicContact CB-CG 4.25Å; F215-F236 HydrophobicContact CD1-CE1 4.17Å; F215-S279 WeakPolarHBondContact O-CA 3.38Å; F215-S280 PolarHBondContact N-OG 2.96Å; F215-S280 PolarHBondContact O-N 2.89Å; F215-S280 PolarHBondContact O-OG 2.85Å
216	F	98.4	Very high	95.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.6	171.6	-53.2	-75.2	0	0	0	110.3	I55 R57 V60 T234 V235 D237 V277 E278 F281 P283	I55-F216 HydrophobicContact CD1-CB 4.04Å; I55-F216 HydrophobicContact CD1-CD2 3.94Å; I55-F216 HydrophobicContact CD1-CG 4.17Å; I55-F216 HydrophobicContact CG2-CB 4.42Å; I55-F216 HydrophobicContact CG2-CD1 3.86Å; I55-F216 HydrophobicContact CG2-CD2 3.9Å; I55-F216 HydrophobicContact CG2-CE1 4.05Å; I55-F216 HydrophobicContact CG2-CE2 4.07Å; I55-F216 HydrophobicContact CG2-CG 3.78Å; I55-F216 HydrophobicContact CG2-CZ 4.15Å; R57-F216 HydrophobicContact CG-CZ 4.04Å; V60-F216 HydrophobicContact CB-CD1 4.43Å; V60-F216 HydrophobicContact CG1-CD1 3.93Å; V60-F216 HydrophobicContact CG1-CE1 4.02Å; V60-F216 HydrophobicContact CG2-CD1 4.42Å; V60-F216 HydrophobicContact CG2-CE1 4.15Å; F216-T234 CarbonylContact O-C 3.59Å; F216-T234 VanDerWaalsContact O-CA 3.31Å; F216-T234 WeakPolarHBondContact O-CA 3.06Å; F216-V235 PolarHBondContact N-O 3.34Å; F216-V235 PolarHBondContact O-N 2.79Å; F216-D237 HydrophobicContact CE2-CB 4.01Å; F216-D237 HydrophobicContact CZ-CB 4.46Å; F216-V277 HydrophobicContact CB-CG1 3.87Å; F216-V277 HydrophobicContact CD1-CG1 4.42Å; F216-V277 HydrophobicContact CG-CG1 4.49Å; F216-E278 CarbonylContact C-O 3.46Å; F216-E278 WeakPolarHBondContact CA-O 3.09Å; F216-F281 AromaticContact CE1-CE1 3.96Å; F216-F281 HydrophobicContact CE1-CE1 3.96Å; F216-F281 AromaticContact CE1-CZ 3.98Å; F216-F281 HydrophobicContact CE1-CZ 3.98Å; F216-F281 HydrophobicContact CE2-CE1 4.37Å; F216-F281 HydrophobicContact CE2-CZ 4.27Å; F216-F281 AromaticContact CZ-CE1 3.89Å; F216-F281 HydrophobicContact CZ-CE1 3.89Å; F216-F281 AromaticContact CZ-CZ 3.61Å; F216-F281 HydrophobicContact CZ-CZ 3.61Å; F216-P283 HydrophobicContact CE1-CG 4.28Å
217	R	98.5	Very high	95.9	Very high	29 Å²	29	32.5 Å²	32.5	11%	0.109	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.1	-177.3	178.3	64.8	54.4	75.7	-2.8	110.7	M66 G103 L104 W233 T234 E278	M66-R217 HydrophobicContact CE-CB 3.61Å; M66-R217 HydrophobicContact CE-CG 4.28Å; M66-R217 HydrophobicContact SD-CB 4.2Å; G103-R217 PolarHBondContact O-NH1 3.3Å; G103-R217 VanDerWaalsContact O-NH1 3.15Å; L104-R217 VanDerWaalsContact CD2-CZ 3.43Å; R217-W233 WeakPolarHBondContact CA-O 3.15Å; R217-W233 WeakPolarHBondContact CD-O 3.39Å; R217-W233 PolarHBondContact NE-O 3.33Å; R217-T234 PolarHBondContact NE-OG1 3Å; R217-T234 PolarHBondContact NH2-OG1 3.2Å; R217-E278 HydrophobicContact CB-CB 4.48Å; R217-E278 PolarHBondContact N-O 3.47Å; R217-E278 PolarHBondContact O-N 3.18Å
218	Y	98.6	Very high	96.1	Very high	8 Å²	8	34.7 Å²	34.7	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	162.5	173.6	77.9	-80.2	0	0	0	112.2	S51 I53 H129 W233 V235	S51-Y218 WeakPolarHBondContact CB-OH 3.44Å; S51-Y218 WeakPolarHBondContact OG-CE2 3.41Å; S51-Y218 PolarHBondContact OG-OH 3.35Å; I53-Y218 HydrophobicContact CD1-CD1 3.88Å; I53-Y218 HydrophobicContact CD1-CD2 3.8Å; I53-Y218 HydrophobicContact CD1-CE1 3.85Å; I53-Y218 HydrophobicContact CD1-CE2 3.79Å; I53-Y218 HydrophobicContact CD1-CG 3.87Å; I53-Y218 HydrophobicContact CG1-CD1 4.46Å; I53-Y218 HydrophobicContact CG1-CD2 4.49Å; I53-Y218 HydrophobicContact CG1-CE1 3.92Å; I53-Y218 HydrophobicContact CG1-CE2 3.99Å; I53-Y218 HydrophobicContact CG2-CE2 4.14Å; H129-Y218 AromaticContact NE2-CE1 3.5Å; H129-Y218 AromaticContact NE2-CZ 3.5Å; H129-Y218 PolarHBondContact NE2-OH 2.99Å; Y218-W233 HydrophobicContact CD1-CB 3.58Å; Y218-W233 HydrophobicContact CD1-CG 4.35Å; Y218-W233 HydrophobicContact CE1-CB 3.27Å; Y218-W233 HydrophobicContact CE1-CD2 4.44Å; Y218-W233 AromaticContact CE1-CG 3.63Å; Y218-W233 HydrophobicContact CE1-CG 3.63Å; Y218-W233 HydrophobicContact CE2-CB 4.41Å; Y218-W233 AromaticContact CE2-CD1 3.86Å; Y218-W233 HydrophobicContact CE2-CG 4.27Å; Y218-W233 HydrophobicContact CG-CB 4.27Å; Y218-W233 AromaticContact CZ-CD1 3.52Å; Y218-W233 AromaticContact CZ-CG 3.56Å; Y218-W233 PolarHBondContact N-O 3.47Å; Y218-W233 PolarHBondContact O-N 3.32Å; Y218-V235 HydrophobicContact CE1-CG2 4.21Å
219	E	98.4	Very high	96.2	Very high	109 Å²	109	37.3 Å²	37.3	51%	0.509	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.7	171.1	-67.5	-179.2	174.8	0	0	110.8	K49 I231 R275	K49-E219 IonicContact NZ-OE2 2.65Å; K49-E219 PolarHBondContact NZ-OE2 3.46Å; E219-I231 WeakPolarHBondContact CA-O 3.49Å; E219-R275 WeakPolarHBondContact O-CD 3.4Å; E219-R275 PolarHBondContact O-NH1 2.94Å
220	G	98.3	Very high	96.4	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-156.6	-175.1	0	0	0	0	0	113.9	K49 S51 E229 S230 I231	K49-G220 CarbonylContact O-C 3.4Å; K49-G220 WeakPolarHBondContact O-CA 3.46Å; S51-G220 WeakPolarHBondContact OG-CA 3.28Å; G220-E229 CarbonylContact O-C 3.5Å; G220-E229 WeakPolarHBondContact O-CA 3.18Å; G220-S230 PolarHBondContact O-N 3.44Å; G220-I231 PolarHBondContact N-O 3Å; G220-I231 PolarHBondContact O-N 3.04Å
221	S	98.6	Very high	97.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.			trans	-124.3	170.2	-176.9	74.7	0	0	0	0	112.8	K49 Q50 S51 F228 I231 W233	K49-S221 PolarHBondContact O-N 2.94Å; Q50-S221 WeakPolarHBondContact CA-OG 3.29Å; Q50-S221 PolarHBondContact OE1-OG 3.37Å; S51-S221 WeakPolarHBondContact CB-O 3.41Å; S51-S221 PolarHBondContact N-OG 3.34Å; S51-S221 PolarHBondContact OG-N 2.8Å; S51-S221 VanDerWaalsContact OG-N 3.07Å; S221-F228 CarbonylContact C-O 3.53Å; S221-F228 WeakPolarHBondContact CA-O 3.29Å; S221-F228 WeakPolarHBondContact CB-O 3.29Å; S221-I231 VanDerWaalsContact C-CD1 3.43Å; S221-I231 VanDerWaalsContact O-CD1 3.29Å; S221-I231 WeakPolarHBondContact O-CD1 3.37Å; S221-W233 PolarHBondContact O-NE1 2.94Å; S221-W233 VanDerWaalsContact O-NE1 3.13Å
222	L	98	Very high	97.6	Very high	30 Å²	30	26.6 Å²	26.6	16%	0.157	14%	0.137	C	C	.	.			trans	-56.1	140	154.3	-68	164.2	0	0	0	109	L163 T224 F228 I231	L163-L222 HydrophobicContact CD1-CD2 4.15Å; L163-L222 HydrophobicContact CD1-CG 4.49Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-F228 HydrophobicContact CD1-CB 4.28Å; L222-F228 HydrophobicContact CD1-CD2 4.31Å; L222-F228 PolarHBondContact N-O 2.64Å; L222-I231 HydrophobicContact CB-CD1 4.39Å; L222-I231 HydrophobicContact CD2-CD1 3.77Å; L222-I231 HydrophobicContact CG-CD1 3.98Å
223	T	97.9	Very high	97.8	Very high	6 Å²	6	25.6 Å²	25.6	4%	0.037	13%	0.132	C	C	.	.	S	Bend	trans	-89.3	-2.2	178.5	53.8	0	0	0	0	113	W38 P52 E128 W233 R267	W38-T223 VanDerWaalsContact CZ3-O 3.27Å; W38-T223 WeakPolarHBondContact CZ3-O 3.31Å; P52-T223 HydrophobicContact CB-CG2 4.5Å; E128-T223 WeakPolarHBondContact OE1-CB 3.4Å; E128-T223 WeakPolarHBondContact OE2-CB 3.27Å; E128-T223 WeakPolarHBondContact OE2-CG2 3.06Å; E128-T223 PolarHBondContact OE2-OG1 3.16Å; T223-W233 HydrophobicContact CG2-CH2 4.26Å; T223-W233 HydrophobicContact CG2-CZ2 3.85Å; T223-R267 WeakPolarHBondContact O-CD 3.27Å
224	T	96.8	Very high	97.9	Very high	34 Å²	34	23.5 Å²	23.5	21%	0.209	12%	0.117	C	C	.	.	S	Bend	trans	-124.9	158	172.9	54.2	0	0	0	0	110.5	W26 Y28 L222 C227	W26-T224 HydrophobicContact CH2-CG2 3.74Å; W26-T224 HydrophobicContact CZ2-CG2 4.37Å; W26-T224 HydrophobicContact CZ3-CG2 4.34Å; Y28-T224 HydrophobicContact CE1-CG2 4.46Å; Y28-T224 WeakPolarHBondContact OH-CG2 3.45Å; L222-T224 VanDerWaalsContact C-N 3.31Å; T224-C227 WeakPolarHBondContact O-CA 3.46Å; T224-C227 PolarHBondContact O-N 2.81Å
225	P	96.4	Very high	98.1	Very high	15 Å²	15	20.4 Å²	20.4	10%	0.097	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	136.3	174.6	-31.4	39.7	0	0	0	112.9	W26 W38 Y42	W26-P225 HydrophobicContact CB-CG 4.11Å; W26-P225 HydrophobicContact CD2-CG 3.85Å; W26-P225 HydrophobicContact CE3-CG 4.24Å; W26-P225 HydrophobicContact CG-CB 4.24Å; W26-P225 HydrophobicContact CG-CG 3.77Å; W38-P225 HydrophobicContact CB-CG 4.31Å; W38-P225 HydrophobicContact CD2-CG 3.43Å; W38-P225 VanDerWaalsContact CD2-CG 3.43Å; W38-P225 HydrophobicContact CE3-CG 3.85Å; W38-P225 HydrophobicContact CG-CG 3.65Å; W38-P225 HydrophobicContact CZ2-CG 4.28Å; W38-P225 HydrophobicContact CZ3-CG 4.41Å; Y42-P225 HydrophobicContact CD1-CB 4.14Å; Y42-P225 HydrophobicContact CD2-CB 3.54Å; Y42-P225 HydrophobicContact CD2-CG 3.99Å; Y42-P225 HydrophobicContact CE1-CB 4.22Å; Y42-P225 HydrophobicContact CE2-CB 3.61Å; Y42-P225 HydrophobicContact CE2-CG 4.12Å; Y42-P225 HydrophobicContact CG-CB 3.8Å
226	P	96.7	Very high	98.1	Very high	42 Å²	42	20.4 Å²	20.4	27%	0.273	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	cis	-90.5	14.6	13.7	36.2	-38	0	0	0	115.5	Y42 A44 F228	Y42-P226 HydrophobicContact CD1-CB 3.88Å; A44-P226 VanDerWaalsContact CB-O 3.31Å; A44-P226 WeakPolarHBondContact CB-O 3.36Å; P226-F228 VanDerWaalsContact C-N 3.32Å; P226-F228 HydrophobicContact CB-CE1 4.29Å; P226-F228 HydrophobicContact CB-CE2 4.17Å; P226-F228 HydrophobicContact CB-CZ 4.02Å; P226-F228 HydrophobicContact CG-CD1 4.46Å; P226-F228 HydrophobicContact CG-CD2 3.57Å; P226-F228 HydrophobicContact CG-CE1 4.19Å; P226-F228 HydrophobicContact CG-CE2 3.24Å; P226-F228 HydrophobicContact CG-CG 4.17Å; P226-F228 HydrophobicContact CG-CZ 3.58Å; P226-F228 PolarHBondContact O-N 2.04Å
227	C	97.9	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.			trans	57.3	33.9	174.3	-41.7	0	0	0	0	116	C45 Q50 T224 E229	C45-C227 VanDerWaalsContact CA-CB 3.42Å; C45-C227 VanDerWaalsContact CA-SG 3.57Å; C45-C227 HydrophobicContact CB-CB 3.67Å; C45-C227 WeakPolarHBondContact CB-SG 3.29Å; C45-C227 WeakPolarHBondContact SG-CB 3.29Å; C45-C227 CovalentContact SG-SG 2.04Å; C45-C227 PolarHBondContact SG-SG 2.81Å; Q50-C227 PolarHBondContact NE2-O 3.48Å; Q50-C227 VanDerWaalsContact NE2-O 3.12Å; Q50-C227 VanDerWaalsContact OE1-CB 3.26Å; T224-C227 WeakPolarHBondContact O-CA 3.46Å; T224-C227 PolarHBondContact O-N 2.81Å; C227-E229 PolarHBondContact O-N 2.83Å
228	F	98.4	Very high	97.4	Very high	58 Å²	58	22.3 Å²	22.3	25%	0.254	12%	0.116	S	C	.	.			trans	-58.6	133.7	178	-65.7	-47.7	0	0	0	111.5	A44 K157 D158 S221 L222 P226 S230	A44-F228 HydrophobicContact CB-CD1 4.1Å; A44-F228 HydrophobicContact CB-CE1 4.49Å; K157-F228 HydrophobicContact CG-CD2 4.37Å; K157-F228 HydrophobicContact CG-CE2 4.38Å; K157-F228 WeakPolarHBondContact O-CB 3.22Å; K157-F228 WeakPolarHBondContact O-CD2 3.29Å; D158-F228 HydrophobicContact CB-CD1 4.15Å; D158-F228 HydrophobicContact CB-CD2 3.79Å; D158-F228 HydrophobicContact CB-CE1 4.21Å; D158-F228 HydrophobicContact CB-CE2 3.84Å; D158-F228 HydrophobicContact CB-CG 3.96Å; D158-F228 HydrophobicContact CB-CZ 4.06Å; S221-F228 CarbonylContact C-O 3.53Å; S221-F228 WeakPolarHBondContact CA-O 3.29Å; S221-F228 WeakPolarHBondContact CB-O 3.29Å; L222-F228 HydrophobicContact CD1-CB 4.28Å; L222-F228 HydrophobicContact CD1-CD2 4.31Å; L222-F228 PolarHBondContact N-O 2.64Å; P226-F228 VanDerWaalsContact C-N 3.32Å; P226-F228 HydrophobicContact CB-CE1 4.29Å; P226-F228 HydrophobicContact CB-CE2 4.17Å; P226-F228 HydrophobicContact CB-CZ 4.02Å; P226-F228 HydrophobicContact CG-CD1 4.46Å; P226-F228 HydrophobicContact CG-CD2 3.57Å; P226-F228 HydrophobicContact CG-CE1 4.19Å; P226-F228 HydrophobicContact CG-CE2 3.24Å; P226-F228 HydrophobicContact CG-CG 4.17Å; P226-F228 HydrophobicContact CG-CZ 3.58Å; P226-F228 PolarHBondContact O-N 2.04Å; F228-S230 PolarHBondContact O-N 3.31Å; F228-S230 PolarHBondContact O-OG 2.78Å
229	E	98.1	Very high	97.1	Very high	70 Å²	70	23.7 Å²	23.7	33%	0.327	13%	0.126	S	C	.	.	S	Bend	trans	-79.3	62.5	176.9	-59.7	-175.4	161.2	0	0	110.8	G47 K48 K49 Q50 G220 C227	G47-E229 WeakPolarHBondContact CA-OE1 2.97Å; K48-E229 PolarHBondContact N-OE1 3.22Å; K49-E229 WeakPolarHBondContact CA-OE1 3.42Å; K49-E229 HydrophobicContact CB-CB 4.34Å; K49-E229 HydrophobicContact CB-CG 4.13Å; K49-E229 PolarHBondContact N-OE1 2.99Å; Q50-E229 PolarHBondContact NE2-OE1 3.21Å; G220-E229 CarbonylContact O-C 3.5Å; G220-E229 WeakPolarHBondContact O-CA 3.18Å; C227-E229 PolarHBondContact O-N 2.83Å
230	S	97.8	Very high	96.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.			trans	-119.8	6.4	-168.9	52.3	0	0	0	0	114	K157 K159 L163 G220 F228	K157-S230 WeakPolarHBondContact O-CB 3.35Å; K157-S230 PolarHBondContact O-OG 2.85Å; K159-S230 WeakPolarHBondContact O-CA 3.4Å; K159-S230 WeakPolarHBondContact O-CB 3.41Å; L163-S230 WeakPolarHBondContact CB-O 3.37Å; L163-S230 PolarHBondContact N-O 3.38Å; G220-S230 PolarHBondContact O-N 3.44Å; F228-S230 PolarHBondContact O-N 3.31Å; F228-S230 PolarHBondContact O-OG 2.78Å
231	I	98.4	Very high	96.3	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.015	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.4	-166.8	-51.7	-162.3	0	0	0	112.1	L163 V165 E219 G220 S221 L222 W233	L163-I231 HydrophobicContact CB-CG1 4.14Å; L163-I231 HydrophobicContact CD1-CG1 4.28Å; V165-I231 HydrophobicContact CB-CG2 3.93Å; V165-I231 HydrophobicContact CG2-CD1 3.82Å; V165-I231 HydrophobicContact CG2-CG2 3.68Å; E219-I231 WeakPolarHBondContact CA-O 3.49Å; G220-I231 PolarHBondContact N-O 3Å; G220-I231 PolarHBondContact O-N 3.04Å; S221-I231 VanDerWaalsContact C-CD1 3.43Å; S221-I231 VanDerWaalsContact O-CD1 3.29Å; S221-I231 WeakPolarHBondContact O-CD1 3.37Å; L222-I231 HydrophobicContact CB-CD1 4.39Å; L222-I231 HydrophobicContact CD2-CD1 3.77Å; L222-I231 HydrophobicContact CG-CD1 3.98Å; I231-W233 HydrophobicContact CD1-CZ2 4.18Å; I231-W233 HydrophobicContact CG2-CD2 4.01Å; I231-W233 HydrophobicContact CG2-CG 3.87Å; I231-W233 HydrophobicContact CG2-CZ2 4.44Å
232	I	98.6	Very high	95.7	Very high	21 Å²	21	21.5 Å²	21.5	11%	0.108	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	106.3	158.5	-55.1	174.6	0	0	0	108	L104 P105 F108 L163 A164 V165	L104-I232 HydrophobicContact CD2-CG2 3.85Å; P105-I232 HydrophobicContact CG-CD1 4.4Å; F108-I232 HydrophobicContact CZ-CD1 4.25Å; L163-I232 PolarHBondContact O-N 3.2Å; A164-I232 WeakPolarHBondContact CA-O 3.19Å; V165-I232 PolarHBondContact N-O 3.5Å; V165-I232 VanDerWaalsContact N-O 3.16Å
233	W	98.8	Very high	95	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.3	-178.3	-81.8	96.4	0	0	0	111.7	S51 H129 H141 V165 A167 R217 Y218 S221 T223 I231 V235	S51-W233 PolarHBondContact OG-NE1 2.76Å; H129-W233 AromaticContact CE1-CD2 3.88Å; H129-W233 AromaticContact CE1-CE3 3.47Å; H129-W233 VanDerWaalsContact CE1-CE3 3.47Å; H129-W233 AromaticContact CE1-CH2 3.94Å; H129-W233 AromaticContact CE1-CZ3 3.5Å; H129-W233 VanDerWaalsContact CE1-CZ3 3.5Å; H129-W233 WeakPolarHBondContact CE1-CZ3 3.41Å; H141-W233 AromaticContact CD2-CH2 3.81Å; H141-W233 AromaticContact CD2-CZ3 3.58Å; H141-W233 AromaticContact CE1-CH2 3.6Å; H141-W233 AromaticContact NE2-CH2 3.41Å; H141-W233 WeakPolarHBondContact NE2-CH2 3.44Å; H141-W233 AromaticContact NE2-CZ3 3.39Å; H141-W233 WeakPolarHBondContact NE2-CZ3 3.11Å; V165-W233 HydrophobicContact CB-CD2 4.29Å; V165-W233 HydrophobicContact CB-CE3 3.89Å; V165-W233 HydrophobicContact CB-CH2 4.04Å; V165-W233 HydrophobicContact CB-CZ2 4.4Å; V165-W233 HydrophobicContact CB-CZ3 3.76Å; V165-W233 HydrophobicContact CG1-CE3 3.91Å; V165-W233 HydrophobicContact CG1-CH2 3.66Å; V165-W233 HydrophobicContact CG1-CZ2 4.47Å; V165-W233 HydrophobicContact CG1-CZ3 3.32Å; V165-W233 HydrophobicContact CG2-CH2 4.49Å; A167-W233 HydrophobicContact CB-CE3 3.91Å; A167-W233 HydrophobicContact CB-CZ3 3.68Å; R217-W233 WeakPolarHBondContact CA-O 3.15Å; R217-W233 WeakPolarHBondContact CD-O 3.39Å; R217-W233 PolarHBondContact NE-O 3.33Å; Y218-W233 HydrophobicContact CD1-CB 3.58Å; Y218-W233 HydrophobicContact CD1-CG 4.35Å; Y218-W233 HydrophobicContact CE1-CB 3.27Å; Y218-W233 HydrophobicContact CE1-CD2 4.44Å; Y218-W233 AromaticContact CE1-CG 3.63Å; Y218-W233 HydrophobicContact CE1-CG 3.63Å; Y218-W233 HydrophobicContact CE2-CB 4.41Å; Y218-W233 AromaticContact CE2-CD1 3.86Å; Y218-W233 HydrophobicContact CE2-CG 4.27Å; Y218-W233 HydrophobicContact CG-CB 4.27Å; Y218-W233 AromaticContact CZ-CD1 3.52Å; Y218-W233 AromaticContact CZ-CG 3.56Å; Y218-W233 PolarHBondContact N-O 3.47Å; Y218-W233 PolarHBondContact O-N 3.32Å; S221-W233 PolarHBondContact O-NE1 2.94Å; S221-W233 VanDerWaalsContact O-NE1 3.13Å; T223-W233 HydrophobicContact CG2-CH2 4.26Å; T223-W233 HydrophobicContact CG2-CZ2 3.85Å; I231-W233 HydrophobicContact CD1-CZ2 4.18Å; I231-W233 HydrophobicContact CG2-CD2 4.01Å; I231-W233 HydrophobicContact CG2-CG 3.87Å; I231-W233 HydrophobicContact CG2-CZ2 4.44Å; W233-V235 HydrophobicContact CE3-CG2 4.45Å
234	T	98.8	Very high	94.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	108	166.2	-54.9	0	0	0	0	108.7	L69 V165 L166 A167 F215 F216 R217 F236	L69-T234 HydrophobicContact CD1-CG2 3.8Å; V165-T234 PolarHBondContact O-N 2.97Å; L166-T234 WeakPolarHBondContact CA-O 3.47Å; L166-T234 HydrophobicContact CD2-CG2 4.18Å; A167-T234 PolarHBondContact N-O 2.83Å; F215-T234 HydrophobicContact CB-CG2 3.77Å; F215-T234 HydrophobicContact CD1-CG2 4.43Å; F215-T234 HydrophobicContact CD2-CG2 3.48Å; F215-T234 VanDerWaalsContact CD2-CG2 3.48Å; F215-T234 HydrophobicContact CE2-CG2 4.11Å; F215-T234 HydrophobicContact CG-CG2 3.65Å; F216-T234 CarbonylContact O-C 3.59Å; F216-T234 VanDerWaalsContact O-CA 3.31Å; F216-T234 WeakPolarHBondContact O-CA 3.06Å; R217-T234 PolarHBondContact NE-OG1 3Å; R217-T234 PolarHBondContact NH2-OG1 3.2Å; T234-F236 HydrophobicContact CG2-CD2 4.36Å; T234-F236 HydrophobicContact CG2-CE2 3.8Å; T234-F236 HydrophobicContact CG2-CZ 3.97Å
235	V	98.8	Very high	93.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.3	-178.4	-174	0	0	0	0	108.8	I55 H129 A167 F215 F216 Y218 W233	I55-V235 HydrophobicContact CD1-CB 3.8Å; I55-V235 HydrophobicContact CD1-CG1 3.86Å; I55-V235 HydrophobicContact CD1-CG2 3.97Å; H129-V235 HydrophobicContact CB-CG1 4.47Å; A167-V235 HydrophobicContact CB-CB 4.41Å; A167-V235 HydrophobicContact CB-CG1 4.4Å; A167-V235 HydrophobicContact CB-CG2 4.02Å; F215-V235 CarbonylContact C-O 3.58Å; F215-V235 VanDerWaalsContact CA-O 3.26Å; F215-V235 WeakPolarHBondContact CA-O 3.37Å; F215-V235 WeakPolarHBondContact CB-O 3.32Å; F216-V235 PolarHBondContact N-O 3.34Å; F216-V235 PolarHBondContact O-N 2.79Å; Y218-V235 HydrophobicContact CE1-CG2 4.21Å; W233-V235 HydrophobicContact CE3-CG2 4.45Å
236	F	98.1	Very high	93	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	139.6	-175.6	-70	-95.2	0	0	0	111.7	L69 L166 A167 F168 L212 F215 T234	L69-F236 HydrophobicContact CD1-CE1 4.34Å; L69-F236 HydrophobicContact CD1-CE2 4.4Å; L69-F236 HydrophobicContact CD1-CZ 3.59Å; L166-F236 HydrophobicContact CB-CE2 4.06Å; L166-F236 HydrophobicContact CD2-CE2 4.15Å; L166-F236 HydrophobicContact CD2-CZ 4.48Å; A167-F236 WeakPolarHBondContact O-CD2 3.29Å; A167-F236 PolarHBondContact O-N 3.43Å; F168-F236 HydrophobicContact CD1-CB 3.83Å; F168-F236 AromaticContact CD1-CD2 3.56Å; F168-F236 HydrophobicContact CD1-CD2 3.56Å; F168-F236 HydrophobicContact CD1-CE2 4.26Å; F168-F236 AromaticContact CD1-CG 3.75Å; F168-F236 HydrophobicContact CD1-CG 3.75Å; F168-F236 HydrophobicContact CD2-CD2 4.47Å; F168-F236 HydrophobicContact CE1-CB 4.04Å; F168-F236 AromaticContact CE1-CD1 3.99Å; F168-F236 HydrophobicContact CE1-CD1 3.99Å; F168-F236 AromaticContact CE1-CD2 3.12Å; F168-F236 HydrophobicContact CE1-CD2 3.12Å; F168-F236 HydrophobicContact CE1-CE1 4.2Å; F168-F236 AromaticContact CE1-CE2 3.39Å; F168-F236 HydrophobicContact CE1-CE2 3.39Å; F168-F236 AromaticContact CE1-CG 3.43Å; F168-F236 HydrophobicContact CE1-CG 3.43Å; F168-F236 VanDerWaalsContact CE1-CG 3.43Å; F168-F236 AromaticContact CE1-CZ 3.91Å; F168-F236 HydrophobicContact CE1-CZ 3.91Å; F168-F236 HydrophobicContact CE2-CD2 4.12Å; F168-F236 HydrophobicContact CE2-CE2 4.04Å; F168-F236 HydrophobicContact CG-CD2 4.23Å; F168-F236 AromaticContact CZ-CD2 3.44Å; F168-F236 HydrophobicContact CZ-CD2 3.44Å; F168-F236 VanDerWaalsContact CZ-CD2 3.44Å; F168-F236 AromaticContact CZ-CE2 3.25Å; F168-F236 HydrophobicContact CZ-CE2 3.25Å; F168-F236 HydrophobicContact CZ-CG 4.2Å; F168-F236 AromaticContact CZ-CZ 3.87Å; F168-F236 HydrophobicContact CZ-CZ 3.87Å; L212-F236 HydrophobicContact CB-CD1 4.42Å; L212-F236 HydrophobicContact CB-CE1 3.78Å; L212-F236 HydrophobicContact CD2-CD1 3.88Å; L212-F236 HydrophobicContact CD2-CE1 3.67Å; L212-F236 HydrophobicContact CD2-CZ 4.2Å; L212-F236 HydrophobicContact CG-CE1 4.24Å; L212-F236 WeakPolarHBondContact O-CE1 3.09Å; F215-F236 HydrophobicContact CB-CD1 3.95Å; F215-F236 HydrophobicContact CB-CE1 4.22Å; F215-F236 HydrophobicContact CB-CG 4.25Å; F215-F236 HydrophobicContact CD1-CE1 4.17Å; T234-F236 HydrophobicContact CG2-CD2 4.36Å; T234-F236 HydrophobicContact CG2-CE2 3.8Å; T234-F236 HydrophobicContact CG2-CZ 3.97Å
237	D	91.4	Very high	92.6	Very high	30 Å²	30	25.9 Å²	25.9	16%	0.16	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-22.6	-179	-179.4	71.6	0	0	0	112.7	R57 H214 F216 F281	R57-D237 IonicContact CZ-OD1 3.67Å; R57-D237 IonicContact NE-OD1 2.58Å; R57-D237 PolarHBondContact NE-OD1 2.84Å; R57-D237 IonicContact NH2-OD1 3.83Å; R57-D237 PolarHBondContact NH2-OD1 2.84Å; H214-D237 HydrophobicContact CB-CB 4.22Å; H214-D237 PolarHBondContact O-N 2.8Å; F216-D237 HydrophobicContact CE2-CB 4.01Å; F216-D237 HydrophobicContact CZ-CB 4.46Å; D237-F281 HydrophobicContact CB-CE1 3.87Å; D237-F281 HydrophobicContact CB-CE2 4.4Å; D237-F281 HydrophobicContact CB-CZ 3.51Å; D237-F281 VanDerWaalsContact CG-CZ 3.42Å
238	T	90.8	Very high	92.1	Very high	39 Å²	39	30.1 Å²	30.1	24%	0.239	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	119.6	176	-54.3	0	0	0	0	109.4	P209 N211	P209-T238 HydrophobicContact CB-CG2 3.84Å; P209-T238 VanDerWaalsContact CG-O 3.22Å; P209-T238 WeakPolarHBondContact CG-O 3.38Å; N211-T238 HydrophobicContact CB-CG2 4.4Å
239	P	91.2	Very high	91.8	Very high	37 Å²	37	31.4 Å²	31.4	24%	0.24	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	159.4	-179.3	30.4	-35	0	0	0	112.3	V169 D171	V169-P239 HydrophobicContact CG2-CB 4.11Å; V169-P239 CarbonylContact O-C 3.59Å; V169-P239 VanDerWaalsContact O-CA 3.27Å; V169-P239 WeakPolarHBondContact O-CA 3.36Å; D171-P239 HydrophobicContact CB-CB 3.78Å; D171-P239 HydrophobicContact CB-CG 4.09Å
240	I	93.5	Very high	91.4	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.8	164.9	-59.2	164.8	0	0	0	108	L140 F168 V169 Y170 D171 Y180 M207 P209	L140-I240 HydrophobicContact CD2-CD1 4.14Å; F168-I240 HydrophobicContact CB-CD1 3.52Å; F168-I240 HydrophobicContact CB-CG1 4.18Å; F168-I240 HydrophobicContact CG-CD1 4.13Å; V169-I240 PolarHBondContact O-N 3.31Å; Y170-I240 CarbonylContact C-O 3.46Å; Y170-I240 VanDerWaalsContact CA-O 3.24Å; Y170-I240 WeakPolarHBondContact CA-O 3.21Å; Y170-I240 HydrophobicContact CD1-CB 3.58Å; Y170-I240 HydrophobicContact CD1-CD1 4.46Å; Y170-I240 HydrophobicContact CD1-CG2 3.69Å; Y170-I240 HydrophobicContact CE1-CB 3.7Å; Y170-I240 HydrophobicContact CE1-CD1 3.88Å; Y170-I240 HydrophobicContact CE1-CG1 4.4Å; Y170-I240 HydrophobicContact CE1-CG2 3.53Å; Y170-I240 HydrophobicContact CG-CB 4.49Å; D171-I240 PolarHBondContact N-O 2.79Å; Y180-I240 HydrophobicContact CE2-CG2 3.81Å; M207-I240 WeakPolarHBondContact O-CD1 3.4Å; P209-I240 HydrophobicContact CG-CG1 3.64Å
241	S	86.9	Confident	91.1	Very high	57 Å²	57	29.7 Å²	29.7	40%	0.399	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	129.4	177.4	-57.5	0	0	0	0	111.3	D171 N177	D171-S241 WeakPolarHBondContact O-CA 3.31Å; N177-S241 WeakPolarHBondContact CB-O 3.38Å; N177-S241 PolarHBondContact ND2-O 2.99Å
242	L	86.2	Confident	90.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.4	170.4	-66.1	-177.2	0	0	0	110.2	Y170 D171 G173 N177 Y180 Q246 I247	Y170-L242 HydrophobicContact CD1-CD1 3.55Å; Y170-L242 HydrophobicContact CD1-CG 3.68Å; Y170-L242 HydrophobicContact CE1-CD1 3.7Å; Y170-L242 HydrophobicContact CE1-CD2 4.44Å; Y170-L242 HydrophobicContact CE1-CG 3.99Å; Y170-L242 HydrophobicContact CG-CD1 4.26Å; D171-L242 PolarHBondContact O-N 3.02Å; D171-L242 VanDerWaalsContact O-N 3.1Å; G173-L242 PolarHBondContact N-O 2.81Å; N177-L242 HydrophobicContact CB-CD2 3.7Å; Y180-L242 HydrophobicContact CD1-CD2 4.05Å; Y180-L242 HydrophobicContact CD2-CD2 3.65Å; Y180-L242 HydrophobicContact CE2-CD2 4.2Å; Y180-L242 HydrophobicContact CG-CD2 3.56Å; L242-Q246 HydrophobicContact CB-CB 4.14Å; L242-I247 HydrophobicContact CB-CD1 4.21Å; L242-I247 HydrophobicContact CB-CG1 3.9Å; L242-I247 HydrophobicContact CD1-CG1 4.4Å
243	S	83.1	Confident	90.6	Very high	8 Å²	8	32 Å²	32	6%	0.056	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	158.3	173.5	76	0	0	0	0	111.4	N245 Q246 I247	S243-N245 PolarHBondContact O-N 3.18Å; S243-N245 PolarHBondContact OG-N 3.48Å; S243-Q246 PolarHBondContact O-N 2.85Å; S243-Q246 WeakPolarHBondContact OG-CG 3.42Å; S243-Q246 PolarHBondContact OG-N 3.21Å; S243-I247 PolarHBondContact O-N 3.22Å
244	H	81.3	Confident	90.5	Very high	110 Å²	110	32 Å²	32	51%	0.509	17%	0.171	S	C	.	.	H	α-helix	trans	-53.9	-39.5	174.2	-169.8	83.1	0	0	0	112.4	Y172 Q246 I247 K248	Y172-H244 HydrophobicContact CD1-CB 4.48Å; Y172-H244 HydrophobicContact CE1-CB 4.38Å; Y172-H244 AromaticContact CE1-ND1 3.36Å; Y172-H244 WeakPolarHBondContact CE1-ND1 3.3Å; Y172-H244 AromaticContact CZ-ND1 3.85Å; H244-Q246 PolarHBondContact O-N 3.49Å; H244-I247 PolarHBondContact O-N 3.4Å; H244-K248 WeakPolarHBondContact O-CB 3.32Å; H244-K248 PolarHBondContact O-N 2.86Å
245	N	80.6	Confident	90.3	Very high	95 Å²	95	33.6 Å²	33.6	51%	0.508	18%	0.179	S	C	.	.	H	α-helix	trans	-66.5	-36.6	176.9	-73.6	-17.2	0	0	0	113.1	S243 K249	S243-N245 PolarHBondContact O-N 3.18Å; S243-N245 PolarHBondContact OG-N 3.48Å; N245-K249 WeakPolarHBondContact O-CB 3.48Å; N245-K249 VanDerWaalsContact O-CG 3.32Å; N245-K249 WeakPolarHBondContact O-CG 3.44Å; N245-K249 PolarHBondContact O-N 2.8Å
246	Q	87.4	Confident	90	Very high	3 Å²	3	35.1 Å²	35.1	1%	0.014	19%	0.187	C	C	.	.	H	α-helix	trans	-68.1	-41.8	176.9	-72.1	175.9	-55	0	0	111.1	N177 I184 L242 S243 H244 K249 L250	N177-Q246 PolarHBondContact O-NE2 3.02Å; I184-Q246 HydrophobicContact CD1-CB 4.41Å; I184-Q246 HydrophobicContact CG1-CB 4.24Å; I184-Q246 HydrophobicContact CG1-CG 4.23Å; L242-Q246 HydrophobicContact CB-CB 4.14Å; S243-Q246 PolarHBondContact O-N 2.85Å; S243-Q246 WeakPolarHBondContact OG-CG 3.42Å; S243-Q246 PolarHBondContact OG-N 3.21Å; H244-Q246 PolarHBondContact O-N 3.49Å; Q246-K249 PolarHBondContact O-N 3.15Å; Q246-L250 PolarHBondContact O-N 3.32Å
247	I	88.9	Confident	89.7	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-48.3	174.6	-68.1	167.7	0	0	0	110.5	M137 Y172 L242 S243 H244 K249 L250 E251	M137-I247 HydrophobicContact CB-CD1 4.21Å; M137-I247 HydrophobicContact CB-CG2 4.48Å; M137-I247 HydrophobicContact CG-CD1 4.29Å; Y172-I247 HydrophobicContact CD1-CD1 3.51Å; Y172-I247 HydrophobicContact CE1-CB 4.45Å; Y172-I247 HydrophobicContact CE1-CD1 3.51Å; Y172-I247 HydrophobicContact CE1-CG2 4.45Å; Y172-I247 HydrophobicContact CG-CD1 4.37Å; L242-I247 HydrophobicContact CB-CD1 4.21Å; L242-I247 HydrophobicContact CB-CG1 3.9Å; L242-I247 HydrophobicContact CD1-CG1 4.4Å; S243-I247 PolarHBondContact O-N 3.22Å; H244-I247 PolarHBondContact O-N 3.4Å; I247-K249 VanDerWaalsContact C-N 3.29Å; I247-K249 PolarHBondContact O-N 3.15Å; I247-L250 WeakPolarHBondContact O-CA 3.35Å; I247-L250 VanDerWaalsContact O-CB 3.31Å; I247-L250 WeakPolarHBondContact O-CB 3.34Å; I247-L250 PolarHBondContact O-N 3.07Å; I247-E251 HydrophobicContact CG2-CG 4.37Å; I247-E251 WeakPolarHBondContact O-CG 3.41Å; I247-E251 PolarHBondContact O-N 2.95Å
248	K	87.3	Confident	89.6	Confident	90 Å²	90	43.7 Å²	43.7	39%	0.391	23%	0.232	S	C	.	.	H	α-helix	trans	-55.7	-43.5	176.6	-174.7	174.5	-176.2	172.1	0	112	H244 E251 S252 L473	H244-K248 WeakPolarHBondContact O-CB 3.32Å; H244-K248 PolarHBondContact O-N 2.86Å; K248-E251 PolarHBondContact O-N 2.85Å; K248-S252 VanDerWaalsContact O-CB 3.32Å; K248-S252 WeakPolarHBondContact O-CB 2.94Å; K248-S252 PolarHBondContact O-N 3.12Å; K248-S252 PolarHBondContact O-OG 3.24Å; K248-L473 PolarHBondContact NZ-O 2.86Å
249	K	91.6	Very high	89.6	Confident	85 Å²	85	46.6 Å²	46.6	37%	0.37	25%	0.246	S	C	.	.	H	α-helix	trans	-64.2	-39.5	175.9	-77	179.5	178.2	-175.4	0	112.4	I184 N245 Q246 I247 E251 T253	I184-K249 HydrophobicContact CG2-CB 3.75Å; I184-K249 HydrophobicContact CG2-CD 3.5Å; I184-K249 VanDerWaalsContact CG2-CD 3.5Å; I184-K249 HydrophobicContact CG2-CG 4.28Å; N245-K249 WeakPolarHBondContact O-CB 3.48Å; N245-K249 VanDerWaalsContact O-CG 3.32Å; N245-K249 WeakPolarHBondContact O-CG 3.44Å; N245-K249 PolarHBondContact O-N 2.8Å; Q246-K249 PolarHBondContact O-N 3.15Å; I247-K249 VanDerWaalsContact C-N 3.29Å; I247-K249 PolarHBondContact O-N 3.15Å; K249-E251 VanDerWaalsContact C-N 3.32Å; K249-T253 WeakPolarHBondContact O-CB 3.48Å; K249-T253 PolarHBondContact O-N 3.03Å; K249-T253 PolarHBondContact O-OG1 2.92Å
250	L	90.6	Very high	89.6	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-59.2	-47.3	174.1	-177.7	63.2	0	0	0	110.4	L115 W117 A138 F183 L187 Q246 I247	L115-L250 HydrophobicContact CD2-CD1 4.07Å; L115-L250 HydrophobicContact CD2-CD2 3.95Å; W117-L250 HydrophobicContact CB-CD2 3.85Å; W117-L250 HydrophobicContact CB-CG 4.03Å; W117-L250 HydrophobicContact CD2-CD1 4Å; W117-L250 HydrophobicContact CD2-CD2 4.37Å; W117-L250 HydrophobicContact CD2-CG 3.81Å; W117-L250 HydrophobicContact CE3-CD1 3.73Å; W117-L250 HydrophobicContact CE3-CD2 4.3Å; W117-L250 HydrophobicContact CE3-CG 3.95Å; W117-L250 HydrophobicContact CG-CD2 4.22Å; W117-L250 HydrophobicContact CG-CG 3.86Å; W117-L250 HydrophobicContact CZ3-CD1 4.04Å; W117-L250 PolarHBondContact NE1-O 3.32Å; A138-L250 HydrophobicContact CB-CD2 4Å; F183-L250 HydrophobicContact CE1-CD1 4.46Å; L187-L250 HydrophobicContact CD1-CD1 4.33Å; Q246-L250 PolarHBondContact O-N 3.32Å; I247-L250 WeakPolarHBondContact O-CA 3.35Å; I247-L250 VanDerWaalsContact O-CB 3.31Å; I247-L250 WeakPolarHBondContact O-CB 3.34Å; I247-L250 PolarHBondContact O-N 3.07Å
251	E	90.8	Very high	89.6	Confident	31 Å²	31	51.9 Å²	51.9	15%	0.145	27%	0.269	C	S	.	.	H	α-helix	trans	-72.2	-30	-177.1	-66.2	173.6	162.5	0	0	114.2	W117 I247 K248 K249 T261 W263	W117-E251 HydrophobicContact CB-CG 4.48Å; I247-E251 HydrophobicContact CG2-CG 4.37Å; I247-E251 WeakPolarHBondContact O-CG 3.41Å; I247-E251 PolarHBondContact O-N 2.95Å; K248-E251 PolarHBondContact O-N 2.85Å; K249-E251 VanDerWaalsContact C-N 3.32Å; E251-T261 WeakPolarHBondContact O-CG2 3.41Å; E251-W263 PolarHBondContact O-NE1 3.33Å
252	S	91.2	Very high	89.8	Confident	58 Å²	58	49.6 Å²	49.6	41%	0.406	25%	0.253	S	S	.	.	H	α-helix	trans	-109.2	-7.8	-169	77.6	0	0	0	0	115.6	K248	K248-S252 VanDerWaalsContact O-CB 3.32Å; K248-S252 WeakPolarHBondContact O-CB 2.94Å; K248-S252 PolarHBondContact O-N 3.12Å; K248-S252 PolarHBondContact O-OG 3.24Å
253	T	94.8	Very high	90	Very high	15 Å²	15	54.3 Å²	54.3	9%	0.092	27%	0.27	C	S	.	.	H	α-helix	trans	-89.1	-45.7	-168.6	-59.1	0	0	0	0	113.3	L187 E188 K191 K249	L187-T253 HydrophobicContact CB-CG2 3.71Å; E188-T253 HydrophobicContact CB-CG2 4.38Å; E188-T253 HydrophobicContact CG-CG2 3.83Å; K191-T253 WeakPolarHBondContact CG-O 3.44Å; K249-T253 WeakPolarHBondContact O-CB 3.48Å; K249-T253 PolarHBondContact O-N 3.03Å; K249-T253 PolarHBondContact O-OG1 2.92Å
254	L	96.7	Very high	90.3	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	27%	0.273	C	S	.	.			trans	-85.7	150.6	-170.1	-60.5	179	0	0	0	111.8	N85 V90 W117 L187 I190 L262	N85-L254 HydrophobicContact CB-CD2 4.38Å; V90-L254 HydrophobicContact CB-CD1 3.71Å; V90-L254 HydrophobicContact CG1-CD1 4.06Å; W117-L254 HydrophobicContact CH2-CD1 3.68Å; W117-L254 HydrophobicContact CZ2-CB 4.41Å; W117-L254 HydrophobicContact CZ2-CD1 3.91Å; L187-L254 HydrophobicContact CB-CD2 4.29Å; L187-L254 HydrophobicContact CD2-CD1 4.13Å; L187-L254 HydrophobicContact CD2-CD2 4.45Å; L187-L254 HydrophobicContact CD2-CG 4.45Å; L187-L254 WeakPolarHBondContact O-CD2 3.42Å; I190-L254 HydrophobicContact CG1-CD2 4.15Å; I190-L254 WeakPolarHBondContact O-CD2 3.31Å; L254-L262 HydrophobicContact CB-CB 4.33Å; L254-L262 HydrophobicContact CB-CD2 4.49Å; L254-L262 PolarHBondContact O-N 2.88Å
255	M	94.9	Very high	90.8	Very high	34 Å²	34	49.7 Å²	49.7	17%	0.167	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-117.5	146.8	177.5	-66.8	173.7	161.6	0	0	111.4	N85 K191 Y192 A193 K260	N85-M255 PolarHBondContact ND2-O 3.08Å; K191-M255 HydrophobicContact CD-SD 4.42Å; K191-M255 VanDerWaalsContact CE-SD 3.59Å; K191-M255 HydrophobicContact CG-CG 4.29Å; K191-M255 HydrophobicContact CG-SD 4.09Å; K191-M255 PolarHBondContact O-N 3.07Å; Y192-M255 HydrophobicContact CD1-CB 4.44Å; Y192-M255 HydrophobicContact CD1-SD 3.57Å; Y192-M255 VanDerWaalsContact CD1-SD 3.57Å; Y192-M255 HydrophobicContact CE1-CE 4.45Å; Y192-M255 HydrophobicContact CE1-SD 3.24Å; Y192-M255 WeakPolarHBondContact CE1-SD 3.46Å; A193-M255 PolarHBondContact N-O 2.89Å; M255-K260 CarbonylContact C-O 3.54Å; M255-K260 WeakPolarHBondContact CA-O 3.32Å; M255-K260 WeakPolarHBondContact CB-O 3.43Å
256	D	92.6	Very high	91.4	Very high	32 Å²	32	46.2 Å²	46.2	17%	0.171	23%	0.229	C	C	.	.			trans	-78.6	-173.8	174.5	72.7	10.2	0	0	0	112.3	D258 N259 K260 L262	D256-D258 PolarHBondContact O-N 3.17Å; D256-D258 WeakPolarHBondContact OD1-CA 3.48Å; D256-D258 PolarHBondContact OD1-N 3.1Å; D256-N259 PolarHBondContact O-N 2.89Å; D256-N259 VanDerWaalsContact O-N 3.16Å; D256-N259 PolarHBondContact OD1-N 2.94Å; D256-N259 VanDerWaalsContact OD1-N 3.1Å; D256-K260 PolarHBondContact N-O 2.63Å; D256-K260 PolarHBondContact OD1-N 3.07Å; D256-L262 HydrophobicContact CB-CD1 4.22Å
257	I	91.3	Very high	91.8	Very high	99 Å²	99	46.3 Å²	46.3	51%	0.508	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-22	-179.2	-162	165.7	0	0	0	113.6	N259	I257-N259 VanDerWaalsContact C-N 3.32Å
258	D	89.7	Confident	91.9	Very high	111 Å²	111	50.2 Å²	50.2	59%	0.594	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	9.9	178.1	-65	-43.1	0	0	0	111.8	D256 K260	D256-D258 PolarHBondContact O-N 3.17Å; D256-D258 WeakPolarHBondContact OD1-CA 3.48Å; D256-D258 PolarHBondContact OD1-N 3.1Å; D258-K260 HydrophobicContact CB-CG 4.4Å; D258-K260 PolarHBondContact O-N 2.65Å
259	N	91.8	Very high	92.2	Very high	100 Å²	100	47.7 Å²	47.7	54%	0.535	25%	0.245	S	C	.	.	S	Bend	trans	58.7	24.1	-174.5	-60	-44.2	0	0	0	114.2	D256 I257	D256-N259 PolarHBondContact O-N 2.89Å; D256-N259 VanDerWaalsContact O-N 3.16Å; D256-N259 PolarHBondContact OD1-N 2.94Å; D256-N259 VanDerWaalsContact OD1-N 3.1Å; I257-N259 VanDerWaalsContact C-N 3.32Å
260	K	91.3	Very high	92.5	Very high	107 Å²	107	45.5 Å²	45.5	47%	0.465	24%	0.236	S	C	.	.	S	Bend	trans	-86.5	156.1	168	-60	177.8	-178.9	175.5	0	109.2	E30 M255 D256 D258 L262	E30-K260 IonicContact OE2-NZ 3.88Å; E30-K260 PolarHBondContact OE2-NZ 2.96Å; M255-K260 CarbonylContact C-O 3.54Å; M255-K260 WeakPolarHBondContact CA-O 3.32Å; M255-K260 WeakPolarHBondContact CB-O 3.43Å; D256-K260 PolarHBondContact N-O 2.63Å; D256-K260 PolarHBondContact OD1-N 3.07Å; D258-K260 HydrophobicContact CB-CG 4.4Å; D258-K260 PolarHBondContact O-N 2.65Å; K260-L262 PolarHBondContact O-N 3.16Å
261	T	92.6	Very high	92.8	Very high	47 Å²	47	49.3 Å²	49.3	29%	0.288	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-58.1	129.9	172.8	-48.8	0	0	0	0	109.6	E251 W263	E251-T261 WeakPolarHBondContact O-CG2 3.41Å; T261-W263 HydrophobicContact CG2-CD2 4.22Å; T261-W263 HydrophobicContact CG2-CG 4.32Å; T261-W263 HydrophobicContact CG2-CZ2 3.91Å; T261-W263 VanDerWaalsContact CG2-NE1 3.27Å; T261-W263 PolarHBondContact O-N 3.46Å
262	L	92.1	Very high	93	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.052	27%	0.269	C	S	.	.			trans	-74.5	97.7	179.5	179.7	60.3	0	0	0	109	W117 L254 D256 K260 D265	W117-L262 HydrophobicContact CH2-CD2 3.83Å; W117-L262 HydrophobicContact CZ2-CB 4.32Å; W117-L262 HydrophobicContact CZ2-CD2 3.56Å; W117-L262 HydrophobicContact CZ2-CG 3.84Å; W117-L262 PolarHBondContact NE1-O 2.69Å; L254-L262 HydrophobicContact CB-CB 4.33Å; L254-L262 HydrophobicContact CB-CD2 4.49Å; L254-L262 PolarHBondContact O-N 2.88Å; D256-L262 HydrophobicContact CB-CD1 4.22Å; K260-L262 PolarHBondContact O-N 3.16Å; L262-D265 HydrophobicContact CD1-CB 4.02Å; L262-D265 HydrophobicContact CG-CB 4.31Å
263	W	90.3	Very high	93.2	Very high	99 Å²	99	52 Å²	52	38%	0.375	27%	0.271	S	S	.	.			trans	-119.1	149.1	178.7	-74.5	-24.1	0	0	0	112.1	L120 E251 T261 D265	L120-W263 HydrophobicContact CB-CH2 4.31Å; L120-W263 HydrophobicContact CB-CZ2 4.2Å; L120-W263 HydrophobicContact CD1-CH2 3.79Å; L120-W263 HydrophobicContact CD1-CZ2 3.43Å; L120-W263 VanDerWaalsContact CD1-CZ2 3.43Å; L120-W263 HydrophobicContact CG-CZ2 4.37Å; E251-W263 PolarHBondContact O-NE1 3.33Å; T261-W263 HydrophobicContact CG2-CD2 4.22Å; T261-W263 HydrophobicContact CG2-CG 4.32Å; T261-W263 HydrophobicContact CG2-CZ2 3.91Å; T261-W263 VanDerWaalsContact CG2-NE1 3.27Å; T261-W263 PolarHBondContact O-N 3.46Å; W263-D265 VanDerWaalsContact C-N 3.31Å; W263-D265 PolarHBondContact O-N 3.19Å
264	N	88.5	Confident	93.2	Very high	21 Å²	21	59.2 Å²	59.2	11%	0.112	31%	0.309	C	S	.	.			trans	52.9	49.9	174.8	-55.9	-74	0	0	0	112	K29 W117 G118 Y266	K29-N264 HydrophobicContact CD-CB 4.29Å; K29-N264 VanDerWaalsContact CE-CB 3.47Å; K29-N264 PolarHBondContact NZ-ND2 3.06Å; W117-N264 WeakPolarHBondContact O-CA 3.45Å; W117-N264 PolarHBondContact O-N 3.46Å; G118-N264 PolarHBondContact O-N 3.34Å; N264-Y266 HydrophobicContact CB-CD1 4.24Å; N264-Y266 HydrophobicContact CB-CE1 3.71Å; N264-Y266 PolarHBondContact O-N 3.29Å; N264-Y266 WeakPolarHBondContact OD1-CE1 3.49Å; N264-Y266 PolarHBondContact OD1-OH 3.41Å
265	D	92.6	Very high	93.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.			trans	-81.7	36.5	-179.3	69.1	-19.7	0	0	0	112.1	Y28 H88 H116 W117 L262 W263	Y28-D265 HydrophobicContact CD2-CB 4.22Å; Y28-D265 WeakPolarHBondContact CE1-O 3.23Å; Y28-D265 HydrophobicContact CE2-CB 3.84Å; Y28-D265 WeakPolarHBondContact CE2-O 3.48Å; Y28-D265 VanDerWaalsContact CZ-C 3.41Å; Y28-D265 PolarHBondContact OH-O 2.62Å; H88-D265 WeakPolarHBondContact O-CB 3.23Å; H88-D265 VanDerWaalsContact O-OD2 3.13Å; H116-D265 WeakPolarHBondContact CA-OD1 3.33Å; H116-D265 PolarHBondContact ND1-O 2.74Å; W117-D265 WeakPolarHBondContact CH2-OD2 3.42Å; W117-D265 VanDerWaalsContact CZ3-OD2 3.31Å; W117-D265 WeakPolarHBondContact CZ3-OD2 3.45Å; W117-D265 PolarHBondContact N-OD1 2.76Å; W117-D265 PolarHBondContact O-N 2.86Å; L262-D265 HydrophobicContact CD1-CB 4.02Å; L262-D265 HydrophobicContact CG-CB 4.31Å; W263-D265 VanDerWaalsContact C-N 3.31Å; W263-D265 PolarHBondContact O-N 3.19Å
266	Y	93.1	Very high	93.3	Very high	23 Å²	23	62.5 Å²	62.5	9%	0.09	33%	0.328	C	S	.	.			trans	-120.3	150.8	-178.7	60.5	-101.6	0	0	0	111.8	Y28 S125 R135 N264	Y28-Y266 VanDerWaalsContact CD1-C 3.49Å; Y28-Y266 VanDerWaalsContact CD1-O 3.27Å; Y28-Y266 WeakPolarHBondContact CD1-O 3.42Å; S125-Y266 PolarHBondContact OG-OH 3.38Å; R135-Y266 VanDerWaalsContact NH1-CE2 3.27Å; N264-Y266 HydrophobicContact CB-CD1 4.24Å; N264-Y266 HydrophobicContact CB-CE1 3.71Å; N264-Y266 PolarHBondContact O-N 3.29Å; N264-Y266 WeakPolarHBondContact OD1-CE1 3.49Å; N264-Y266 PolarHBondContact OD1-OH 3.41Å
267	R	94.9	Very high	93.6	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.019	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-85.2	147.3	170.3	-161.5	-168.1	-168.8	179.2	1.1	110.7	W38 C45 Q50 S51 E128 T223	W38-R267 HydrophobicContact CH2-CB 4.45Å; W38-R267 HydrophobicContact CH2-CG 4.16Å; W38-R267 HydrophobicContact CZ3-CB 4.46Å; W38-R267 HydrophobicContact CZ3-CG 3.8Å; C45-R267 PolarHBondContact O-NH2 3.47Å; C45-R267 VanDerWaalsContact O-NH2 3.16Å; Q50-R267 VanDerWaalsContact OE1-NH2 3.08Å; S51-R267 WeakPolarHBondContact O-CD 3.21Å; S51-R267 PolarHBondContact O-NH1 3.45Å; E128-R267 VanDerWaalsContact OE1-CB 3.29Å; E128-R267 WeakPolarHBondContact OE1-CB 3.15Å; E128-R267 PolarHBondContact OE1-N 2.84Å; T223-R267 WeakPolarHBondContact O-CD 3.27Å
268	I	91.6	Very high	93.9	Very high	85 Å²	85	58.5 Å²	58.5	44%	0.436	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-64.8	148.2	171.1	66.3	-174.9	0	0	0	111.2	Q270	I268-Q270 PolarHBondContact O-N 3.27Å; I268-Q270 PolarHBondContact O-NE2 3.07Å
269	A	94.6	Very high	94.3	Very high	37 Å²	37	53.2 Å²	53.2	31%	0.306	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-58.1	131.8	175	0	0	0	0	0	111.1
270	Q	97.1	Very high	94.5	Very high	38 Å²	38	49.2 Å²	49.2	18%	0.178	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-95.7	153	-177.2	-55.7	-65.2	-59.6	0	0	110	Q50 P52 I268 L272	Q50-Q270 HydrophobicContact CB-CB 3.88Å; Q50-Q270 HydrophobicContact CB-CG 3.75Å; P52-Q270 VanDerWaalsContact O-CB 3.3Å; P52-Q270 WeakPolarHBondContact O-CB 3.27Å; P52-Q270 PolarHBondContact O-N 2.97Å; I268-Q270 PolarHBondContact O-N 3.27Å; I268-Q270 PolarHBondContact O-NE2 3.07Å; Q270-L272 PolarHBondContact O-N 3.02Å
271	P	96.8	Very high	94.6	Very high	83 Å²	83	45 Å²	45	54%	0.539	24%	0.24	S	C	.	.	P	Polyproline II helix	trans	-56.3	134.9	176.3	-26.2	35.1	0	0	0	112.4	N273 R275	P271-N273 PolarHBondContact O-N 3.37Å; P271-N273 PolarHBondContact O-ND2 2.8Å; P271-R275 PolarHBondContact O-NH2 3.35Å
272	L	95.6	Very high	94.4	Very high	59 Å²	59	48.8 Å²	48.8	31%	0.309	26%	0.256	S	S	.	.			trans	-61.5	-33.5	174.9	-175.8	63.3	0	0	0	111.5	I53 Q270 R275 V277	I53-L272 HydrophobicContact CD1-CD1 3.69Å; Q270-L272 PolarHBondContact O-N 3.02Å; L272-R275 HydrophobicContact CD1-CB 3.95Å; L272-R275 HydrophobicContact CG-CB 4.36Å; L272-R275 WeakPolarHBondContact CG-O 3.47Å; L272-R275 WeakPolarHBondContact O-CB 3.47Å; L272-R275 PolarHBondContact O-N 3.41Å; L272-R275 PolarHBondContact O-NE 2.72Å; L272-V277 HydrophobicContact CD1-CG2 3.82Å
273	N	95.1	Very high	93.7	Very high	85 Å²	85	49.5 Å²	49.5	46%	0.455	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	-139.8	-170.8	-60.9	-47.2	0	0	0	110.3	K48 P271 R275	K48-N273 PolarHBondContact O-ND2 3.42Å; P271-N273 PolarHBondContact O-N 3.37Å; P271-N273 PolarHBondContact O-ND2 2.8Å; N273-R275 PolarHBondContact O-N 3.23Å
274	D	93.9	Very high	92.2	Very high	167 Å²	167	55.9 Å²	55.9	89%	0.893	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	10.3	-175.8	-53.4	-54.9	0	0	0	113.8
275	R	97.4	Very high	90.6	Very high	27 Å²	27	60.6 Å²	60.6	10%	0.102	31%	0.31	C	S	.	.			trans	-76.8	150.9	-179	-67.1	177.2	-72.1	176.2	-3	111.2	K49 Q50 E219 P271 L272 N273	K49-R275 VanDerWaalsContact C-NH1 3.26Å; K49-R275 HydrophobicContact CG-CG 4.44Å; K49-R275 PolarHBondContact O-NH1 3.05Å; Q50-R275 VanDerWaalsContact O-CZ 3.32Å; Q50-R275 PolarHBondContact O-NH1 3.04Å; Q50-R275 PolarHBondContact O-NH2 3.17Å; E219-R275 WeakPolarHBondContact O-CD 3.4Å; E219-R275 PolarHBondContact O-NH1 2.94Å; P271-R275 PolarHBondContact O-NH2 3.35Å; L272-R275 HydrophobicContact CD1-CB 3.95Å; L272-R275 HydrophobicContact CG-CB 4.36Å; L272-R275 WeakPolarHBondContact CG-O 3.47Å; L272-R275 WeakPolarHBondContact O-CB 3.47Å; L272-R275 PolarHBondContact O-N 3.41Å; L272-R275 PolarHBondContact O-NE 2.72Å; N273-R275 PolarHBondContact O-N 3.23Å
276	V	96.8	Very high	88.1	Confident	77 Å²	77	63 Å²	63	47%	0.467	34%	0.335	S	S	.	.			trans	-108	131.6	172.1	178.4	0	0	0	0	108.6	R61	R61-V276 HydrophobicContact CB-CG1 3.83Å
277	V	98.4	Very high	85.4	Confident	8 Å²	8	72.7 Å²	72.7	5%	0.048	38%	0.377	C	S	.	.			trans	-91.3	126.6	167.6	-176.4	0	0	0	0	107.9	I53 I55 V60 R61 F216 L272	I53-V277 HydrophobicContact CD1-CG2 3.55Å; I55-V277 HydrophobicContact CG2-CG1 4.32Å; V60-V277 CarbonylContact C-O 3.55Å; V60-V277 VanDerWaalsContact CA-O 3.31Å; V60-V277 WeakPolarHBondContact CA-O 3.27Å; V60-V277 HydrophobicContact CB-CB 4.5Å; V60-V277 HydrophobicContact CB-CG1 4.45Å; V60-V277 HydrophobicContact CG1-CB 4.08Å; V60-V277 HydrophobicContact CG1-CG1 3.9Å; R61-V277 PolarHBondContact N-O 2.68Å; F216-V277 HydrophobicContact CB-CG1 3.87Å; F216-V277 HydrophobicContact CD1-CG1 4.42Å; F216-V277 HydrophobicContact CG-CG1 4.49Å; L272-V277 HydrophobicContact CD1-CG2 3.82Å
278	E	98.2	Very high	82.6	Confident	39 Å²	39	75.6 Å²	75.6	18%	0.182	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	156.2	173.4	-60.4	-162.1	129.9	0	0	111.3	R61 N63 M66 F216 R217	R61-E278 IonicContact CZ-OE1 2.84Å; R61-E278 IonicContact NE-OE1 2.8Å; R61-E278 PolarHBondContact NE-OE1 2.88Å; R61-E278 IonicContact NH2-OE1 2.99Å; R61-E278 PolarHBondContact NH2-OE1 2.79Å; R61-E278 CarbonylContact O-C 3.55Å; R61-E278 WeakPolarHBondContact O-CA 3.23Å; N63-E278 HydrophobicContact CB-CB 4.42Å; N63-E278 PolarHBondContact ND2-OE1 2.87Å; N63-E278 PolarHBondContact ND2-OE2 3.44Å; M66-E278 HydrophobicContact CE-CB 3.33Å; M66-E278 HydrophobicContact CE-CG 4.42Å; F216-E278 CarbonylContact C-O 3.46Å; F216-E278 WeakPolarHBondContact CA-O 3.09Å; R217-E278 HydrophobicContact CB-CB 4.48Å; R217-E278 PolarHBondContact N-O 3.47Å; R217-E278 PolarHBondContact O-N 3.18Å
279	S	97.7	Very high	79.9	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	144.9	173.5	67.6	0	0	0	0	112.4	R61 F62 N63 F215 F281	R61-S279 PolarHBondContact O-N 3.17Å; F62-S279 WeakPolarHBondContact CA-OG 3.49Å; F62-S279 WeakPolarHBondContact CD2-O 3.5Å; N63-S279 PolarHBondContact N-O 3.14Å; F215-S279 WeakPolarHBondContact O-CA 3.38Å; S279-F281 VanDerWaalsContact C-N 3.28Å; S279-F281 WeakPolarHBondContact CB-O 3.31Å; S279-F281 PolarHBondContact OG-O 3.09Å
280	S	96.9	Very high	77.1	Confident	16 Å²	16	84.3 Å²	84.3	11%	0.112	45%	0.448	C	S	.	.	S	Bend	trans	-80.8	-9.3	175.5	67.8	0	0	0	0	113.7	M66 S213 H214 F215	M66-S280 PolarHBondContact SD-N 2.92Å; S213-S280 PolarHBondContact O-OG 2.97Å; H214-S280 WeakPolarHBondContact CA-OG 3.5Å; F215-S280 PolarHBondContact N-OG 2.96Å; F215-S280 PolarHBondContact O-N 2.89Å; F215-S280 PolarHBondContact O-OG 2.85Å
281	F	93.5	Very high	74.6	Confident	18 Å²	18	88 Å²	88	8%	0.079	48%	0.477	C	S	.	.	S	Bend	trans	-136.7	157.4	-177.7	68.5	-71	0	0	0	109.1	F62 H214 F216 D237 S279 P283	F62-F281 VanDerWaalsContact CD2-O 3.22Å; F62-F281 WeakPolarHBondContact CD2-O 3.42Å; F62-F281 VanDerWaalsContact CE2-C 3.43Å; H214-F281 HydrophobicContact CB-CB 4.42Å; H214-F281 HydrophobicContact CB-CD1 3.61Å; H214-F281 HydrophobicContact CB-CD2 4.32Å; H214-F281 HydrophobicContact CB-CE1 3.87Å; H214-F281 HydrophobicContact CB-CG 3.88Å; H214-F281 HydrophobicContact CB-CZ 4.31Å; H214-F281 AromaticContact CD2-CG 3.93Å; H214-F281 AromaticContact CG-CD1 3.95Å; H214-F281 AromaticContact CG-CD2 3.97Å; H214-F281 AromaticContact CG-CG 3.66Å; H214-F281 AromaticContact ND1-CD2 3.81Å; H214-F281 AromaticContact ND1-CG 3.98Å; F216-F281 AromaticContact CE1-CE1 3.96Å; F216-F281 HydrophobicContact CE1-CE1 3.96Å; F216-F281 AromaticContact CE1-CZ 3.98Å; F216-F281 HydrophobicContact CE1-CZ 3.98Å; F216-F281 HydrophobicContact CE2-CE1 4.37Å; F216-F281 HydrophobicContact CE2-CZ 4.27Å; F216-F281 AromaticContact CZ-CE1 3.89Å; F216-F281 HydrophobicContact CZ-CE1 3.89Å; F216-F281 AromaticContact CZ-CZ 3.61Å; F216-F281 HydrophobicContact CZ-CZ 3.61Å; D237-F281 HydrophobicContact CB-CE1 3.87Å; D237-F281 HydrophobicContact CB-CE2 4.4Å; D237-F281 HydrophobicContact CB-CZ 3.51Å; D237-F281 VanDerWaalsContact CG-CZ 3.42Å; S279-F281 VanDerWaalsContact C-N 3.28Å; S279-F281 WeakPolarHBondContact CB-O 3.31Å; S279-F281 PolarHBondContact OG-O 3.09Å; F281-P283 HydrophobicContact CE2-CB 4.13Å; F281-P283 HydrophobicContact CE2-CG 4.47Å; F281-P283 HydrophobicContact CZ-CB 4.48Å; F281-P283 WeakPolarHBondContact O-CD 3.38Å
282	M	88.3	Confident	72	Confident	128 Å²	128	88.5 Å²	88.5	63%	0.631	47%	0.472	S	S	*	.			trans	-73.4	111	167.4	-71.2	-172.6	179.1	0	0	107.8	F62 R284	F62-M282 HydrophobicContact CD1-CE 3.67Å; F62-M282 HydrophobicContact CD1-CG 3.45Å; F62-M282 VanDerWaalsContact CD1-CG 3.45Å; F62-M282 HydrophobicContact CD1-SD 4.41Å; F62-M282 HydrophobicContact CD2-CG 4.27Å; F62-M282 HydrophobicContact CE1-CE 3.45Å; F62-M282 VanDerWaalsContact CE1-CE 3.45Å; F62-M282 HydrophobicContact CE1-CG 3.48Å; F62-M282 VanDerWaalsContact CE1-CG 3.48Å; F62-M282 HydrophobicContact CE1-SD 4.29Å; F62-M282 HydrophobicContact CE2-CG 4.34Å; F62-M282 HydrophobicContact CG-CG 3.84Å; F62-M282 HydrophobicContact CZ-CG 3.96Å; M282-R284 PolarHBondContact O-N 2.88Å
283	P	76.3	Confident	69.4	Low	25 Å²	25	92.5 Å²	92.5	16%	0.162	49%	0.489	C	S	.	.			trans	-62.6	130.8	178.8	-15.3	30.1	0	0	0	108.8	R57 V60 F216 F281 L285	R57-P283 HydrophobicContact CB-CB 3.94Å; R57-P283 HydrophobicContact CG-CB 4.24Å; V60-P283 HydrophobicContact CG2-CG 3.43Å; V60-P283 VanDerWaalsContact CG2-CG 3.43Å; F216-P283 HydrophobicContact CE1-CG 4.28Å; F281-P283 HydrophobicContact CE2-CB 4.13Å; F281-P283 HydrophobicContact CE2-CG 4.47Å; F281-P283 HydrophobicContact CZ-CB 4.48Å; F281-P283 WeakPolarHBondContact O-CD 3.38Å; P283-L285 PolarHBondContact O-N 3.41Å
284	R	58.8	Low	66.8	Low	232 Å²	232	94 Å²	94	88%	0.875	50%	0.497	S	S	*	.			trans	-69.9	102.1	171.7	-68	-176.8	-178.4	179	2.4	107.1	M282 G286	M282-R284 PolarHBondContact O-N 2.88Å; R284-G286 PolarHBondContact O-N 3.49Å; R284-G286 VanDerWaalsContact O-N 3.11Å
285	L	54.4	Low	64.4	Low	120 Å²	120	90.2 Å²	90.2	63%	0.628	47%	0.474	S	S	*	.			trans	-57.4	115.5	157.5	-62.7	171.5	0	0	0	105.4	R58 P283 K287	R58-L285 HydrophobicContact CB-CD2 3.83Å; P283-L285 PolarHBondContact O-N 3.41Å; L285-K287 PolarHBondContact O-N 3.04Å
286	G	41.3	Very low	62.2	Low	50 Å²	50	93.3 Å²	93.3	52%	0.515	49%	0.492	S	S	.	.			trans	-47	129.7	177.5	0	0	0	0	0	109.5	R284 G288	R284-G286 PolarHBondContact O-N 3.49Å; R284-G286 VanDerWaalsContact O-N 3.11Å; G286-G288 PolarHBondContact O-N 2.93Å
287	K	36.1	Very low	59.9	Low	228 Å²	228	94.5 Å²	94.5	99%	0.991	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	88.5	166.8	-85.5	-176	174.5	-179.2	0	106.8	L285	L285-K287 PolarHBondContact O-N 3.04Å
288	G	36.8	Very low	57.5	Low	66 Å²	66	96.9 Å²	96.9	68%	0.68	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	144.7	11.4	178.7	0	0	0	0	0	118.5	G286	G286-G288 PolarHBondContact O-N 2.93Å
289	T	34	Very low	55.4	Low	126 Å²	126	100.3 Å²	100.3	77%	0.773	52%	0.523	S	S	*	.			trans	-125.8	52.7	166.5	45.6	0	0	0	0	111.4
290	F	35.7	Very low	53.5	Low	178 Å²	178	104.7 Å²	104.7	78%	0.781	55%	0.546	S	S	*	.	S	Bend	trans	-76.8	130.2	140.2	-106.5	-101.7	0	0	0	105.8	Q292	F290-Q292 HydrophobicContact CB-CG 3.95Å; F290-Q292 PolarHBondContact O-N 3.29Å
291	C	44.9	Very low	51.5	Low	116 Å²	116	109.2 Å²	109.2	78%	0.784	57%	0.569	S	S	*	*			trans	-57.9	91.6	146.2	-76.1	0	0	0	0	104.6	Q293	C291-Q293 PolarHBondContact O-N 3.01Å
292	Q	42.3	Very low	49.6	Very low	93 Å²	93	115.1 Å²	115.1	44%	0.435	59%	0.594	S	S	.	*			trans	-68.7	95.9	178.6	-77.8	-167.4	9.6	0	0	105.4	F290 D294 E295 I296	F290-Q292 HydrophobicContact CB-CG 3.95Å; F290-Q292 PolarHBondContact O-N 3.29Å; Q292-D294 PolarHBondContact O-N 3.01Å; Q292-D294 VanDerWaalsContact O-N 3.14Å; Q292-E295 HydrophobicContact CB-CB 3.43Å; Q292-E295 VanDerWaalsContact CB-CB 3.43Å; Q292-E295 HydrophobicContact CG-CB 4.41Å; Q292-E295 PolarHBondContact O-N 3Å; Q292-I296 PolarHBondContact O-N 3Å
293	Q	41.7	Very low	48.4	Very low	143 Å²	143	113.2 Å²	113.2	67%	0.668	59%	0.585	S	S	*	*	H	α-helix	trans	-50.4	-33.1	167	-163.9	127.3	-4.6	0	0	109.5	C291 I296 E297	C291-Q293 PolarHBondContact O-N 3.01Å; Q293-I296 PolarHBondContact O-N 3.27Å; Q293-E297 WeakPolarHBondContact O-CA 3.36Å; Q293-E297 WeakPolarHBondContact O-CB 3.39Å; Q293-E297 VanDerWaalsContact O-CG 3.32Å; Q293-E297 WeakPolarHBondContact O-CG 3.45Å; Q293-E297 PolarHBondContact O-N 3.43Å
294	D	39.5	Very low	47.4	Very low	118 Å²	118	117.7 Å²	117.7	63%	0.631	60%	0.604	S	S	*	*	H	α-helix	trans	-70.2	-31.6	173.9	-55	-23.1	0	0	0	114.2	Q292 S298	Q292-D294 PolarHBondContact O-N 3.01Å; Q292-D294 VanDerWaalsContact O-N 3.14Å; D294-S298 WeakPolarHBondContact O-CA 3.43Å; D294-S298 WeakPolarHBondContact O-CB 3.47Å; D294-S298 PolarHBondContact O-N 3.22Å
295	E	42.8	Very low	47	Very low	87 Å²	87	108.5 Å²	108.5	41%	0.407	58%	0.582	S	S	.	*	H	α-helix	trans	-80.9	-33.3	175.7	-155.8	-169	156.7	0	0	110.7	Q292 K299	Q292-E295 HydrophobicContact CB-CB 3.43Å; Q292-E295 VanDerWaalsContact CB-CB 3.43Å; Q292-E295 HydrophobicContact CG-CB 4.41Å; Q292-E295 PolarHBondContact O-N 3Å; E295-K299 WeakPolarHBondContact O-CB 3.15Å; E295-K299 WeakPolarHBondContact O-CG 3.44Å; E295-K299 PolarHBondContact O-N 2.91Å; E295-K299 VanDerWaalsContact OE1-CE 3.25Å; E295-K299 WeakPolarHBondContact OE1-CE 3.11Å; E295-K299 IonicContact OE1-NZ 3.21Å; E295-K299 PolarHBondContact OE1-NZ 3.04Å
296	I	52.2	Low	47.1	Very low	92 Å²	92	107.7 Å²	107.7	47%	0.472	58%	0.578	S	S	.	*	H	α-helix	trans	-68.8	-43.9	169.8	-66.1	168.6	0	0	0	109.5	Q292 Q293 K299 L300	Q292-I296 PolarHBondContact O-N 3Å; Q293-I296 PolarHBondContact O-N 3.27Å; I296-K299 CarbonylContact O-C 3.59Å; I296-K299 PolarHBondContact O-N 2.77Å; I296-L300 HydrophobicContact CG2-CD1 3.72Å; I296-L300 HydrophobicContact CG2-CG 4.22Å; I296-L300 VanDerWaalsContact O-CB 3.22Å; I296-L300 WeakPolarHBondContact O-CB 3.45Å; I296-L300 WeakPolarHBondContact O-CG 3.31Å; I296-L300 PolarHBondContact O-N 3.24Å
297	E	48.8	Very low	47.7	Very low	101 Å²	101	110.4 Å²	110.4	47%	0.472	58%	0.579	S	S	.	*	H	α-helix	trans	-66	-39.2	173.8	-83.6	-176.6	179.6	0	0	111.3	Q293 L300 L301	Q293-E297 WeakPolarHBondContact O-CA 3.36Å; Q293-E297 WeakPolarHBondContact O-CB 3.39Å; Q293-E297 VanDerWaalsContact O-CG 3.32Å; Q293-E297 WeakPolarHBondContact O-CG 3.45Å; Q293-E297 PolarHBondContact O-N 3.43Å; E297-L300 PolarHBondContact O-N 3.25Å; E297-L301 WeakPolarHBondContact O-CB 3.46Å; E297-L301 WeakPolarHBondContact O-CD1 3.22Å; E297-L301 WeakPolarHBondContact O-CG 3.08Å; E297-L301 PolarHBondContact O-N 3.44Å
298	S	47.4	Very low	48.4	Very low	58 Å²	58	103.4 Å²	103.4	41%	0.406	56%	0.556	S	S	.	*	H	α-helix	trans	-66.1	-38.7	173.3	178.9	0	0	0	0	111.8	D294 K302	D294-S298 WeakPolarHBondContact O-CA 3.43Å; D294-S298 WeakPolarHBondContact O-CB 3.47Å; D294-S298 PolarHBondContact O-N 3.22Å; S298-K302 VanDerWaalsContact O-CB 3.3Å; S298-K302 WeakPolarHBondContact O-CB 3.38Å; S298-K302 WeakPolarHBondContact O-CG 3.41Å; S298-K302 PolarHBondContact O-N 3.36Å
299	K	53.4	Low	49	Very low	111 Å²	111	102.4 Å²	102.4	48%	0.483	54%	0.538	S	S	.	.	H	α-helix	trans	-69.9	-37.3	172.9	-76.1	172.6	-174	169.3	0	111.4	E295 I296 K302 I303	E295-K299 WeakPolarHBondContact O-CB 3.15Å; E295-K299 WeakPolarHBondContact O-CG 3.44Å; E295-K299 PolarHBondContact O-N 2.91Å; E295-K299 VanDerWaalsContact OE1-CE 3.25Å; E295-K299 WeakPolarHBondContact OE1-CE 3.11Å; E295-K299 IonicContact OE1-NZ 3.21Å; E295-K299 PolarHBondContact OE1-NZ 3.04Å; I296-K299 CarbonylContact O-C 3.59Å; I296-K299 PolarHBondContact O-N 2.77Å; K299-K302 CarbonylContact O-C 3.59Å; K299-K302 WeakPolarHBondContact O-CB 3.44Å; K299-K302 PolarHBondContact O-N 3.32Å; K299-I303 WeakPolarHBondContact O-CB 3.29Å; K299-I303 WeakPolarHBondContact O-CD1 3.4Å; K299-I303 WeakPolarHBondContact O-CG1 3.27Å; K299-I303 PolarHBondContact O-N 2.84Å
300	L	58.4	Low	49.8	Very low	93 Å²	93	101.7 Å²	101.7	49%	0.487	53%	0.529	S	S	.	.	H	α-helix	trans	-69.9	-40.1	175.6	-75.3	167.6	0	0	0	111.3	I296 E297 K302 I303 E304	I296-L300 HydrophobicContact CG2-CD1 3.72Å; I296-L300 HydrophobicContact CG2-CG 4.22Å; I296-L300 VanDerWaalsContact O-CB 3.22Å; I296-L300 WeakPolarHBondContact O-CB 3.45Å; I296-L300 WeakPolarHBondContact O-CG 3.31Å; I296-L300 PolarHBondContact O-N 3.24Å; E297-L300 PolarHBondContact O-N 3.25Å; L300-K302 VanDerWaalsContact C-N 3.34Å; L300-I303 CarbonylContact O-C 3.59Å; L300-I303 PolarHBondContact O-N 3.1Å; L300-E304 WeakPolarHBondContact O-CB 3.47Å; L300-E304 PolarHBondContact O-N 3.24Å
301	L	54.3	Low	50.1	Low	111 Å²	111	94.7 Å²	94.7	58%	0.581	51%	0.507	S	S	*	.	H	α-helix	trans	-67.4	-34.6	172.1	-75.9	165.7	0	0	0	111.5	E297 G305	E297-L301 WeakPolarHBondContact O-CB 3.46Å; E297-L301 WeakPolarHBondContact O-CD1 3.22Å; E297-L301 WeakPolarHBondContact O-CG 3.08Å; E297-L301 PolarHBondContact O-N 3.44Å; L301-G305 PolarHBondContact O-N 3.42Å
302	K	55.1	Low	50.2	Low	142 Å²	142	96.1 Å²	96.1	62%	0.617	50%	0.5	S	S	*	.	H	α-helix	trans	-66.3	-42.1	169	-88.3	178.5	174.1	178.4	0	111.5	S298 K299 L300 G305 L306	S298-K302 VanDerWaalsContact O-CB 3.3Å; S298-K302 WeakPolarHBondContact O-CB 3.38Å; S298-K302 WeakPolarHBondContact O-CG 3.41Å; S298-K302 PolarHBondContact O-N 3.36Å; K299-K302 CarbonylContact O-C 3.59Å; K299-K302 WeakPolarHBondContact O-CB 3.44Å; K299-K302 PolarHBondContact O-N 3.32Å; L300-K302 VanDerWaalsContact C-N 3.34Å; K302-G305 PolarHBondContact O-N 3.43Å; K302-L306 VanDerWaalsContact O-CB 3.32Å; K302-L306 WeakPolarHBondContact O-CB 3.43Å; K302-L306 WeakPolarHBondContact O-CD1 3.47Å; K302-L306 WeakPolarHBondContact O-CG 3.31Å; K302-L306 PolarHBondContact O-N 3.28Å
303	I	61.8	Low	50.3	Low	87 Å²	87	97.1 Å²	97.1	45%	0.446	51%	0.508	S	S	.	.	H	α-helix	trans	-65.7	-44.8	176.5	-71	161.4	0	0	0	110.1	K299 L300 G305 L306 I307	K299-I303 WeakPolarHBondContact O-CB 3.29Å; K299-I303 WeakPolarHBondContact O-CD1 3.4Å; K299-I303 WeakPolarHBondContact O-CG1 3.27Å; K299-I303 PolarHBondContact O-N 2.84Å; L300-I303 CarbonylContact O-C 3.59Å; L300-I303 PolarHBondContact O-N 3.1Å; I303-G305 VanDerWaalsContact C-N 3.34Å; I303-G305 PolarHBondContact O-N 3.05Å; I303-L306 PolarHBondContact O-N 2.83Å; I303-I307 HydrophobicContact CG2-CD1 3.73Å; I303-I307 HydrophobicContact CG2-CG1 4.41Å; I303-I307 WeakPolarHBondContact O-CB 3.24Å; I303-I307 WeakPolarHBondContact O-CG1 3.36Å; I303-I307 PolarHBondContact O-N 2.58Å
304	E	54.8	Low	50.3	Low	119 Å²	119	97.7 Å²	97.7	56%	0.556	51%	0.513	S	S	*	.	H	α-helix	trans	-62.5	-39.9	172.9	-80.8	-171.9	151.5	0	0	111.9	L300 I307 T308	L300-E304 WeakPolarHBondContact O-CB 3.47Å; L300-E304 PolarHBondContact O-N 3.24Å; E304-I307 PolarHBondContact O-N 3.14Å; E304-T308 VanDerWaalsContact O-CB 3.26Å; E304-T308 WeakPolarHBondContact O-CB 3.32Å; E304-T308 PolarHBondContact O-N 3.34Å; E304-T308 PolarHBondContact O-OG1 2.6Å
305	G	51.8	Low	50.3	Low	39 Å²	39	101.7 Å²	101.7	40%	0.402	52%	0.521	S	S	.	.	H	α-helix	trans	-64.3	-38.4	174	0	0	0	0	0	112.8	L301 K302 I303 S309	L301-G305 PolarHBondContact O-N 3.42Å; K302-G305 PolarHBondContact O-N 3.43Å; I303-G305 VanDerWaalsContact C-N 3.34Å; I303-G305 PolarHBondContact O-N 3.05Å; G305-S309 VanDerWaalsContact O-CB 3.3Å; G305-S309 WeakPolarHBondContact O-CB 3.45Å; G305-S309 PolarHBondContact O-N 2.78Å
306	L	55.8	Low	50.3	Low	104 Å²	104	101.1 Å²	101.1	55%	0.545	53%	0.526	S	S	.	.	H	α-helix	trans	-70.9	-39.4	174.5	-73.7	165	0	0	0	111.7	K302 I303 S309 L310	K302-L306 VanDerWaalsContact O-CB 3.32Å; K302-L306 WeakPolarHBondContact O-CB 3.43Å; K302-L306 WeakPolarHBondContact O-CD1 3.47Å; K302-L306 WeakPolarHBondContact O-CG 3.31Å; K302-L306 PolarHBondContact O-N 3.28Å; I303-L306 PolarHBondContact O-N 2.83Å; L306-S309 PolarHBondContact O-N 2.84Å; L306-S309 PolarHBondContact O-OG 2.86Å; L306-L310 VanDerWaalsContact O-CB 3.29Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 WeakPolarHBondContact O-CD1 3.36Å; L306-L310 VanDerWaalsContact O-CG 3.22Å; L306-L310 WeakPolarHBondContact O-CG 3.4Å; L306-L310 PolarHBondContact O-N 3.37Å
307	I	53.8	Low	49.6	Very low	107 Å²	107	100.2 Å²	100.2	55%	0.549	54%	0.539	S	S	.	.	H	α-helix	trans	-66.1	-40.2	174	-69.5	166.1	0	0	0	110.3	I303 E304 L310 G311	I303-I307 HydrophobicContact CG2-CD1 3.73Å; I303-I307 HydrophobicContact CG2-CG1 4.41Å; I303-I307 WeakPolarHBondContact O-CB 3.24Å; I303-I307 WeakPolarHBondContact O-CG1 3.36Å; I303-I307 PolarHBondContact O-N 2.58Å; E304-I307 PolarHBondContact O-N 3.14Å; I307-L310 PolarHBondContact O-N 3.31Å; I307-G311 PolarHBondContact O-N 2.83Å
308	T	51.2	Low	49.3	Very low	81 Å²	81	103.3 Å²	103.3	50%	0.497	56%	0.557	S	S	.	*	H	α-helix	trans	-70.3	-33.5	176.3	-52.9	0	0	0	0	111.7	E304 K312	E304-T308 VanDerWaalsContact O-CB 3.26Å; E304-T308 WeakPolarHBondContact O-CB 3.32Å; E304-T308 PolarHBondContact O-N 3.34Å; E304-T308 PolarHBondContact O-OG1 2.6Å; T308-K312 WeakPolarHBondContact O-CB 3.39Å; T308-K312 WeakPolarHBondContact O-CG 3.43Å; T308-K312 PolarHBondContact O-N 3.34Å
309	S	48.5	Very low	48.5	Very low	44 Å²	44	104 Å²	104	31%	0.308	57%	0.574	S	S	.	*	H	α-helix	trans	-74.5	-38	174.8	80.9	0	0	0	0	112	G305 L306 G311 K312 N313	G305-S309 VanDerWaalsContact O-CB 3.3Å; G305-S309 WeakPolarHBondContact O-CB 3.45Å; G305-S309 PolarHBondContact O-N 2.78Å; L306-S309 PolarHBondContact O-N 2.84Å; L306-S309 PolarHBondContact O-OG 2.86Å; S309-G311 VanDerWaalsContact C-N 3.33Å; S309-K312 PolarHBondContact O-N 3.24Å; S309-N313 VanDerWaalsContact O-CB 3.29Å; S309-N313 WeakPolarHBondContact O-CB 3.48Å; S309-N313 PolarHBondContact O-N 3.1Å; S309-N313 PolarHBondContact O-ND2 3.16Å
310	L	50.6	Low	47.4	Very low	112 Å²	112	102.6 Å²	102.6	59%	0.586	59%	0.591	S	S	*	*	H	α-helix	trans	-60.8	-43	168.6	-77.5	162.2	0	0	0	110.9	L306 I307 N313 M314	L306-L310 VanDerWaalsContact O-CB 3.29Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 WeakPolarHBondContact O-CD1 3.36Å; L306-L310 VanDerWaalsContact O-CG 3.22Å; L306-L310 WeakPolarHBondContact O-CG 3.4Å; L306-L310 PolarHBondContact O-N 3.37Å; I307-L310 PolarHBondContact O-N 3.31Å; L310-N313 PolarHBondContact O-N 2.52Å; L310-M314 PolarHBondContact O-N 3.06Å
311	G	42.3	Very low	46.2	Very low	31 Å²	31	110.1 Å²	110.1	32%	0.32	61%	0.613	S	S	.	*	H	α-helix	trans	-62.3	-42.1	173.1	0	0	0	0	0	112.9	I307 S309 M314 Y315	I307-G311 PolarHBondContact O-N 2.83Å; S309-G311 VanDerWaalsContact C-N 3.33Å; G311-M314 PolarHBondContact O-N 2.89Å; G311-Y315 VanDerWaalsContact O-CD2 3.29Å; G311-Y315 WeakPolarHBondContact O-CD2 3.43Å
312	K	47.2	Very low	45	Very low	146 Å²	146	110.1 Å²	110.1	64%	0.635	62%	0.622	S	S	*	*	H	α-helix	trans	-68.9	-38.5	174.9	-82.3	-179.8	176.8	176.9	0	112.6	T308 S309 M314 Y315 S316	T308-K312 WeakPolarHBondContact O-CB 3.39Å; T308-K312 WeakPolarHBondContact O-CG 3.43Å; T308-K312 PolarHBondContact O-N 3.34Å; S309-K312 PolarHBondContact O-N 3.24Å; K312-M314 PolarHBondContact O-N 2.72Å; K312-Y315 CarbonylContact O-C 3.49Å; K312-Y315 PolarHBondContact O-N 2.98Å; K312-S316 WeakPolarHBondContact O-CB 3.41Å; K312-S316 PolarHBondContact O-N 3.21Å; K312-S316 PolarHBondContact O-OG 2.94Å
313	N	45.1	Very low	43.7	Very low	113 Å²	113	108.1 Å²	108.1	60%	0.604	63%	0.626	S	S	*	*	H	α-helix	trans	-68.2	-23.7	177.4	-72.5	-20	0	0	0	112.7	S309 L310 Y315	S309-N313 VanDerWaalsContact O-CB 3.29Å; S309-N313 WeakPolarHBondContact O-CB 3.48Å; S309-N313 PolarHBondContact O-N 3.1Å; S309-N313 PolarHBondContact O-ND2 3.16Å; L310-N313 PolarHBondContact O-N 2.52Å; N313-Y315 VanDerWaalsContact C-N 3.33Å
314	M	41.9	Very low	42.1	Very low	155 Å²	155	108.8 Å²	108.8	76%	0.764	64%	0.638	S	S	*	*	H	α-helix	trans	-72	-22.9	167.7	-78.6	-179.3	54.9	0	0	113.6	L310 G311 K312	L310-M314 PolarHBondContact O-N 3.06Å; G311-M314 PolarHBondContact O-N 2.89Å; K312-M314 PolarHBondContact O-N 2.72Å
315	Y	39.6	Very low	40.9	Very low	203 Å²	203	114.1 Å²	114.1	80%	0.796	65%	0.653	S	S	*	*	H	α-helix	trans	-110.1	-9.9	-179	-73.6	-74.9	0	0	0	114.9	G311 K312 N313	G311-Y315 VanDerWaalsContact O-CD2 3.29Å; G311-Y315 WeakPolarHBondContact O-CD2 3.43Å; K312-Y315 CarbonylContact O-C 3.49Å; K312-Y315 PolarHBondContact O-N 2.98Å; N313-Y315 VanDerWaalsContact C-N 3.33Å
316	S	41.6	Very low	39.8	Very low	74 Å²	74	121 Å²	121	52%	0.517	68%	0.675	S	S	.	*			trans	-103.1	11	-179.4	65.5	0	0	0	0	114.8	K312 I318	K312-S316 WeakPolarHBondContact O-CB 3.41Å; K312-S316 PolarHBondContact O-N 3.21Å; K312-S316 PolarHBondContact O-OG 2.94Å; S316-I318 PolarHBondContact O-N 2.69Å
317	G	39	Very low	38.7	Very low	73 Å²	73	121.6 Å²	121.6	75%	0.753	69%	0.687	S	S	*	*			trans	-67	11.1	170	0	0	0	0	0	115.3
318	I	41.6	Very low	37.5	Very low	167 Å²	167	125 Å²	125	86%	0.856	70%	0.698	S	S	*	*	S	Bend	trans	-118.6	92.8	170.4	-55.6	178.8	0	0	0	108.6	S316	S316-I318 PolarHBondContact O-N 2.69Å
319	G	30.7	Very low	36.3	Very low	73 Å²	73	131.1 Å²	131.1	75%	0.753	71%	0.713	S	S	*	*			trans	117.5	120.2	148.7	0	0	0	0	0	117.2
320	G	30.2	Very low	35.3	Very low	81 Å²	81	134.1 Å²	134.1	84%	0.835	73%	0.726	S	S	*	*			trans	114.4	97.1	131.3	0	0	0	0	0	118
321	R	33.6	Very low	34.4	Very low	250 Å²	250	138.2 Å²	138.2	94%	0.943	74%	0.742	S	S	*	*			trans	-30.8	140.5	153.7	-81.2	168.2	161.2	170.5	-4.9	115.1
322	S	29.6	Very low	33.9	Very low	111 Å²	111	140 Å²	140	78%	0.776	76%	0.76	S	S	*	*				145.2	143.9	112.3	-170.2	0	0	0	0	114.2
323	S	27.2	Very low	33.3	Very low	100 Å²	100	140.5 Å²	140.5	70%	0.699	77%	0.765	S	S	*	*			trans	106.6	112.5	143.4	84.9	0	0	0	0	120
324	S	27.5	Very low	32.9	Very low	101 Å²	101	142.9 Å²	142.9	71%	0.706	78%	0.777	S	S	*	*				35.4	128.8	126.9	64.2	0	0	0	0	122.9
325	R	30.1	Very low	32.8	Very low	231 Å²	231	143 Å²	143	87%	0.872	77%	0.773	S	S	*	*			trans	45.2	115.8	134.2	-73.1	-178	173.8	175.9	-1.7	117.8
326	H	27.8	Very low	33.4	Very low	185 Å²	185	134.5 Å²	134.5	86%	0.856	74%	0.743	S	S	*	*				-169	131.7	109.8	-97.3	7.3	0	0	0	111.8
327	S	33.8	Very low	34.8	Very low	115 Å²	115	135.4 Å²	135.4	80%	0.804	74%	0.741	S	S	*	*			trans	-67.2	145.4	173.4	141.6	0	0	0	0	110.8
328	K	28	Very low	37.2	Very low	178 Å²	178	132 Å²	132	77%	0.774	71%	0.706	S	S	*	*			trans	-160.5	118.1	145.7	-109.9	-175.3	179.5	177.1	0	111.5
329	Y	27.1	Very low	39.5	Very low	210 Å²	210	124.2 Å²	124.2	82%	0.824	67%	0.666	S	S	*	*			trans	55.6	94.4	157.9	-64.9	-80.5	0	0	0	117.4
330	D	26.4	Very low	42.5	Very low	108 Å²	108	121.2 Å²	121.2	58%	0.578	63%	0.633	S	S	*	*			trans	-115.9	109.6	156.8	-161.5	-4.3	0	0	0	109.1	G332	D330-G332 PolarHBondContact OD1-N 2.87Å
331	H	32.6	Very low	45.5	Very low	197 Å²	197	117.4 Å²	117.4	91%	0.912	59%	0.593	S	S	*	*			trans	-132.5	91.9	158.7	-91.5	-48.6	0	0	0	105.7
332	G	31.7	Very low	48.3	Very low	68 Å²	68	110.3 Å²	110.3	70%	0.701	57%	0.571	S	S	*	*			trans	-175.7	4.8	172.9	0	0	0	0	0	116.6	D330 L334	D330-G332 PolarHBondContact OD1-N 2.87Å; G332-L334 PolarHBondContact O-N 3.3Å; G332-L334 VanDerWaalsContact O-N 3.16Å
333	E	34.3	Very low	51	Low	158 Å²	158	110.1 Å²	110.1	74%	0.738	56%	0.561	S	S	*	*			trans	-85	86.6	176.7	-66.9	-170.9	156.6	0	0	111.2
334	L	36.7	Very low	53.9	Low	163 Å²	163	109.2 Å²	109.2	85%	0.853	54%	0.543	S	S	*	.			trans	-88.3	91.5	157.5	-87.6	157.4	0	0	0	107.8	G332	G332-L334 PolarHBondContact O-N 3.3Å; G332-L334 VanDerWaalsContact O-N 3.16Å
335	F	40.3	Very low	56.4	Low	156 Å²	156	106.1 Å²	106.1	68%	0.684	52%	0.518	S	S	*	.			trans	-130.4	142.4	163.9	-85.4	-81.8	0	0	0	110.5
336	P	52.6	Low	58.8	Low	25 Å²	25	98 Å²	98	16%	0.162	50%	0.497	C	S	.	.			cis	-112.3	150	-4.7	18.6	3.3	0	0	0	113.6	V338 D533 Y536	P336-V338 PolarHBondContact O-N 2.9Å; P336-D533 VanDerWaalsContact O-O 3.11Å; P336-Y536 HydrophobicContact CG-CD2 3.71Å; P336-Y536 HydrophobicContact CG-CE2 4.34Å
337	L	70.9	Confident	61.1	Low	93 Å²	93	93.1 Å²	93.1	49%	0.487	48%	0.48	S	S	.	.			trans	-81.4	99.8	168.2	-70.8	160.6	0	0	0	108	W519 L532	L337-W519 VanDerWaalsContact O-CZ2 3.29Å; L337-W519 WeakPolarHBondContact O-CZ2 3.45Å; L337-W519 PolarHBondContact O-NE1 2.99Å; L337-L532 HydrophobicContact CB-CD2 3.99Å; L337-L532 HydrophobicContact CD2-CB 4.21Å; L337-L532 HydrophobicContact CD2-CD1 3.51Å; L337-L532 HydrophobicContact CD2-CD2 3.64Å; L337-L532 HydrophobicContact CD2-CG 3.97Å; L337-L532 HydrophobicContact CG-CD2 4.4Å
338	V	87.8	Confident	63.4	Low	1 Å²	1	88 Å²	88	1%	0.006	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.9	171.9	172.5	0	0	0	0	109.2	P336 W423 K484 T486 L532 D533 Q535	P336-V338 PolarHBondContact O-N 2.9Å; V338-W423 HydrophobicContact CG1-CH2 3.8Å; V338-W423 HydrophobicContact CG1-CZ2 4.19Å; V338-K484 HydrophobicContact CG1-CB 3.75Å; V338-K484 HydrophobicContact CG1-CD 4.14Å; V338-K484 HydrophobicContact CG1-CG 4.27Å; V338-T486 HydrophobicContact CG2-CG2 4.31Å; V338-L532 CarbonylContact O-C 3.44Å; V338-L532 WeakPolarHBondContact O-CA 3.46Å; V338-D533 HydrophobicContact CB-CB 4.11Å; V338-D533 HydrophobicContact CG1-CB 4.38Å; V338-D533 PolarHBondContact N-O 3.18Å; V338-D533 PolarHBondContact O-N 2.87Å; V338-Q535 WeakPolarHBondContact CG2-O 3.25Å
339	L	91.2	Very high	66.4	Low	5 Å²	5	81.8 Å²	81.8	3%	0.026	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	122.5	171.4	-61.7	-179.4	0	0	0	109.2	F341 A350 L465 K484 M485 W519 M526 V530 L532	L339-F341 HydrophobicContact CB-CD2 4.34Å; L339-F341 HydrophobicContact CB-CE2 3.59Å; L339-F341 HydrophobicContact CB-CZ 4.35Å; L339-F341 HydrophobicContact CD1-CE2 4.35Å; L339-F341 HydrophobicContact CD1-CZ 4.4Å; L339-A350 HydrophobicContact CD1-CB 3.8Å; L339-L465 HydrophobicContact CD1-CD1 4.22Å; L339-K484 CarbonylContact O-C 3.43Å; L339-K484 VanDerWaalsContact O-CA 3.25Å; L339-K484 WeakPolarHBondContact O-CA 3.48Å; L339-M485 HydrophobicContact CB-CG 3.89Å; L339-M485 HydrophobicContact CD1-CG 4.31Å; L339-M485 HydrophobicContact CD1-SD 4.32Å; L339-M485 PolarHBondContact N-O 2.95Å; L339-M485 PolarHBondContact O-N 3.19Å; L339-W519 HydrophobicContact CD1-CH2 3.69Å; L339-W519 HydrophobicContact CD1-CZ3 4.35Å; L339-W519 HydrophobicContact CG-CH2 3.74Å; L339-W519 HydrophobicContact CG-CZ2 4.27Å; L339-M526 HydrophobicContact CD2-CG 4.15Å; L339-M526 HydrophobicContact CD2-SD 3.57Å; L339-M526 VanDerWaalsContact CD2-SD 3.57Å; L339-V530 HydrophobicContact CB-CG1 4.12Å; L339-V530 HydrophobicContact CD2-CG1 3.96Å; L339-L532 HydrophobicContact CD2-CD2 3.93Å
340	N	93.5	Very high	69.3	Low	10 Å²	10	71.8 Å²	71.8	5%	0.053	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121	176.8	-179.8	44.8	0	0	0	110.5	K484 Q531 D533	N340-K484 HydrophobicContact CB-CG 4.28Å; N340-Q531 HydrophobicContact CB-CB 4.32Å; N340-Q531 PolarHBondContact N-O 3.45Å; N340-Q531 PolarHBondContact O-N 3.41Å; N340-D533 HydrophobicContact CB-CB 4.38Å
341	F	93.8	Very high	72.3	Confident	1 Å²	1	67.6 Å²	67.6	0%	0.004	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	101	177.9	-61.3	-108.5	0	0	0	107.8	L339 F481 G483 M485 V530	L339-F341 HydrophobicContact CB-CD2 4.34Å; L339-F341 HydrophobicContact CB-CE2 3.59Å; L339-F341 HydrophobicContact CB-CZ 4.35Å; L339-F341 HydrophobicContact CD1-CE2 4.35Å; L339-F341 HydrophobicContact CD1-CZ 4.4Å; F341-F481 HydrophobicContact CB-CD1 3.94Å; F341-F481 WeakPolarHBondContact CB-O 3.31Å; F341-F481 HydrophobicContact CD1-CD1 4.35Å; F341-F481 AromaticContact CD2-CD1 3.51Å; F341-F481 HydrophobicContact CD2-CD1 3.51Å; F341-F481 AromaticContact CD2-CE1 3.86Å; F341-F481 HydrophobicContact CD2-CE1 3.86Å; F341-F481 HydrophobicContact CE2-CD1 4.06Å; F341-F481 HydrophobicContact CE2-CE1 4.39Å; F341-F481 AromaticContact CG-CD1 3.7Å; F341-F481 HydrophobicContact CG-CD1 3.7Å; F341-F481 HydrophobicContact CG-CE1 4.43Å; F341-G483 PolarHBondContact N-O 3.42Å; F341-G483 PolarHBondContact O-N 3.22Å; F341-M485 HydrophobicContact CD2-CE 4.28Å; F341-M485 HydrophobicContact CE2-CE 3.6Å; F341-M485 HydrophobicContact CE2-CG 3.8Å; F341-M485 HydrophobicContact CE2-SD 3.82Å; F341-M485 HydrophobicContact CZ-CE 3.87Å; F341-M485 HydrophobicContact CZ-SD 4.1Å; F341-V530 HydrophobicContact CD1-CG2 3.74Å; F341-V530 HydrophobicContact CE1-CG2 3.62Å; F341-V530 HydrophobicContact CE2-CG1 4.32Å; F341-V530 HydrophobicContact CG-CG2 4.39Å; F341-V530 HydrophobicContact CZ-CG1 4.26Å; F341-V530 HydrophobicContact CZ-CG2 4.16Å
342	E	90.5	Very high	74.9	Confident	100 Å²	100	58.2 Å²	58.2	47%	0.467	31%	0.311	S	S	.	.			trans	-72	-44.8	-170.1	-65.6	-171.2	151.8	0	0	112.8	Q531	E342-Q531 PolarHBondContact OE1-NE2 2.95Å; E342-Q531 PolarHBondContact OE1-OE1 3.43Å; E342-Q531 PolarHBondContact OE2-NE2 2.79Å
343	D	87.1	Confident	77.2	Confident	108 Å²	108	58.1 Å²	58.1	58%	0.578	30%	0.298	S	S	*	.	S	Bend	trans	-130.9	150.6	-169.6	-68.1	-50.8	0	0	0	112.5	N345	D343-N345 PolarHBondContact O-N 3.25Å; D343-N345 PolarHBondContact O-ND2 2.95Å; D343-N345 VanDerWaalsContact O-ND2 3.11Å
344	R	88.3	Confident	79.3	Confident	81 Å²	81	51.5 Å²	51.5	31%	0.306	27%	0.268	S	S	.	.			trans	-72.2	110.9	169	-170	174.8	-72.6	-79.9	4.5	108.9	V375 H376 D477 S478 A480 V482	R344-V375 PolarHBondContact NH1-O 2.95Å; R344-V375 PolarHBondContact NH2-O 2.98Å; R344-H376 PolarHBondContact NH2-CE1 2.88Å; R344-D477 VanDerWaalsContact CD-O 3.24Å; R344-D477 WeakPolarHBondContact CD-O 3.39Å; R344-D477 WeakPolarHBondContact CG-O 3.43Å; R344-D477 PolarHBondContact NH1-O 2.68Å; R344-S478 VanDerWaalsContact NH1-C 3.33Å; R344-S478 PolarHBondContact NH1-O 3Å; R344-A480 HydrophobicContact CG-CB 4.24Å; R344-A480 VanDerWaalsContact NH1-N 3.19Å; R344-A480 PolarHBondContact NH1-O 2.89Å; R344-V482 HydrophobicContact CB-CG2 3.67Å; R344-V482 HydrophobicContact CG-CG2 4.37Å
345	N	80.1	Confident	81.3	Confident	35 Å²	35	48 Å²	48	19%	0.187	26%	0.257	C	S	.	.			trans	-156.2	170.8	178.6	65.8	64.1	0	0	0	110.3	D343 V347 S348 K467 A480	D343-N345 PolarHBondContact O-N 3.25Å; D343-N345 PolarHBondContact O-ND2 2.95Å; D343-N345 VanDerWaalsContact O-ND2 3.11Å; N345-V347 VanDerWaalsContact OD1-CG2 3.26Å; N345-V347 WeakPolarHBondContact OD1-CG2 3.26Å; N345-V347 PolarHBondContact OD1-N 3.4Å; N345-S348 PolarHBondContact ND2-OG 3.02Å; N345-S348 WeakPolarHBondContact OD1-CB 3.36Å; N345-S348 PolarHBondContact OD1-N 3.33Å; N345-S348 PolarHBondContact OD1-OG 3.4Å; N345-S348 VanDerWaalsContact OD1-OG 3.05Å; N345-K467 WeakPolarHBondContact O-CE 3.45Å; N345-K467 PolarHBondContact O-NZ 3Å; N345-A480 WeakPolarHBondContact O-CB 3.42Å
346	S	79.8	Confident	83.2	Confident	62 Å²	62	51.6 Å²	51.6	43%	0.434	27%	0.266	S	S	.	.	S	Bend	trans	-87.2	-4.3	180	57.3	0	0	0	0	114.9	K467	S346-K467 WeakPolarHBondContact O-CE 3.29Å; S346-K467 PolarHBondContact O-NZ 3.11Å
347	V	76.4	Confident	85	Confident	81 Å²	81	52.7 Å²	52.7	49%	0.491	27%	0.269	S	S	.	.	S	Bend	trans	-107	-24.8	-173.7	-61.3	0	0	0	0	116.4	N345 Y349 Y527 G528	N345-V347 VanDerWaalsContact OD1-CG2 3.26Å; N345-V347 WeakPolarHBondContact OD1-CG2 3.26Å; N345-V347 PolarHBondContact OD1-N 3.4Å; V347-Y349 VanDerWaalsContact O-CD1 3.23Å; V347-Y349 WeakPolarHBondContact O-CD1 3.48Å; V347-Y349 WeakPolarHBondContact O-CE1 3.37Å; V347-Y349 PolarHBondContact O-N 3.15Å; V347-Y527 CarbonylContact O-C 3.19Å; V347-G528 VanDerWaalsContact O-CA 3.24Å; V347-G528 WeakPolarHBondContact O-CA 3.19Å; V347-G528 PolarHBondContact O-N 3.07Å
348	S	83.3	Confident	86.1	Confident	8 Å²	8	51.7 Å²	51.7	6%	0.056	27%	0.267	C	S	.	.			trans	-80.1	109.4	179.5	-51.4	0	0	0	0	112.4	N345 K467 Y527 G528	N345-S348 PolarHBondContact ND2-OG 3.02Å; N345-S348 WeakPolarHBondContact OD1-CB 3.36Å; N345-S348 PolarHBondContact OD1-N 3.33Å; N345-S348 PolarHBondContact OD1-OG 3.4Å; N345-S348 VanDerWaalsContact OD1-OG 3.05Å; S348-K467 VanDerWaalsContact O-CD 3.24Å; S348-K467 WeakPolarHBondContact O-CD 3.33Å; S348-K467 PolarHBondContact O-NZ 2.89Å; S348-Y527 WeakPolarHBondContact CA-O 3.48Å; S348-G528 PolarHBondContact OG-O 3.37Å
349	Y	89.4	Confident	86.4	Confident	48 Å²	48	51.7 Å²	51.7	19%	0.188	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	166.3	174.5	56.9	-89.7	0	0	0	110.5	V347 L351 V464 L465 K467 I475 Y527	V347-Y349 VanDerWaalsContact O-CD1 3.23Å; V347-Y349 WeakPolarHBondContact O-CD1 3.48Å; V347-Y349 WeakPolarHBondContact O-CE1 3.37Å; V347-Y349 PolarHBondContact O-N 3.15Å; Y349-L351 HydrophobicContact CD2-CD2 3.66Å; Y349-L351 HydrophobicContact CD2-CG 3.94Å; Y349-L351 HydrophobicContact CE2-CD1 3.97Å; Y349-L351 HydrophobicContact CE2-CD2 3.65Å; Y349-L351 HydrophobicContact CE2-CG 3.75Å; Y349-V464 HydrophobicContact CD2-CG1 4.2Å; Y349-V464 HydrophobicContact CG-CG1 4.31Å; Y349-L465 WeakPolarHBondContact CA-O 3.49Å; Y349-K467 HydrophobicContact CD1-CD 4.13Å; Y349-K467 HydrophobicContact CG-CD 4.42Å; Y349-I475 HydrophobicContact CD1-CD1 3.9Å; Y349-I475 HydrophobicContact CE1-CD1 3.79Å; Y349-I475 HydrophobicContact CG-CD1 4.36Å; Y349-Y527 AromaticContact CD2-CD2 3.81Å; Y349-Y527 HydrophobicContact CD2-CD2 3.81Å; Y349-Y527 HydrophobicContact CD2-CG 4.32Å; Y349-Y527 HydrophobicContact CE1-CG 4.45Å; Y349-Y527 AromaticContact CE2-CD2 3.35Å; Y349-Y527 HydrophobicContact CE2-CD2 3.35Å; Y349-Y527 AromaticContact CE2-CE2 4Å; Y349-Y527 HydrophobicContact CE2-CE2 4Å; Y349-Y527 AromaticContact CE2-CG 3.7Å; Y349-Y527 HydrophobicContact CE2-CG 3.7Å; Y349-Y527 AromaticContact CZ-CD2 3.94Å; Y349-Y527 AromaticContact CZ-CG 3.78Å; Y349-Y527 PolarHBondContact N-O 3.48Å; Y349-Y527 PolarHBondContact O-N 2.93Å
350	A	89.9	Confident	86.6	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.8	171.3	0	0	0	0	0	111.2	L339 L465 K525 M526	L339-A350 HydrophobicContact CD1-CB 3.8Å; A350-L465 HydrophobicContact CB-CB 4.26Å; A350-L465 PolarHBondContact N-O 3.43Å; A350-L465 PolarHBondContact O-N 3.32Å; A350-K525 CarbonylContact C-O 3.46Å; A350-K525 VanDerWaalsContact CA-O 3.22Å; A350-K525 WeakPolarHBondContact CA-O 3.5Å; A350-M526 HydrophobicContact CB-CG 4.3Å
351	L	88.8	Confident	86.7	Confident	19 Å²	19	55.9 Å²	55.9	10%	0.099	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.6	179.1	-56.5	177.1	0	0	0	110.1	Y349 E462 F463 V464 F524 K525 Y527	Y349-L351 HydrophobicContact CD2-CD2 3.66Å; Y349-L351 HydrophobicContact CD2-CG 3.94Å; Y349-L351 HydrophobicContact CE2-CD1 3.97Å; Y349-L351 HydrophobicContact CE2-CD2 3.65Å; Y349-L351 HydrophobicContact CE2-CG 3.75Å; L351-E462 WeakPolarHBondContact CB-OE2 3.14Å; L351-E462 WeakPolarHBondContact CD1-OE2 3.22Å; L351-F463 WeakPolarHBondContact CA-O 3.3Å; L351-V464 HydrophobicContact CD2-CB 4.34Å; L351-V464 HydrophobicContact CD2-CG1 4.35Å; L351-V464 HydrophobicContact CD2-CG2 3.65Å; L351-F524 VanDerWaalsContact O-CA 3.27Å; L351-F524 WeakPolarHBondContact O-CA 3.3Å; L351-K525 HydrophobicContact CB-CB 4.3Å; L351-K525 PolarHBondContact N-O 3.09Å; L351-K525 PolarHBondContact O-N 2.77Å; L351-Y527 HydrophobicContact CB-CE2 4.37Å; L351-Y527 HydrophobicContact CD1-CD2 4.14Å; L351-Y527 HydrophobicContact CD1-CE2 3.33Å; L351-Y527 HydrophobicContact CG-CD2 4.12Å; L351-Y527 HydrophobicContact CG-CE2 3.65Å
352	A	86.8	Confident	86.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	107.8	178.4	0	0	0	0	0	110	E462 F463 L517 F524	A352-E462 CarbonylContact O-C 3.54Å; A352-E462 VanDerWaalsContact O-CA 3.3Å; A352-E462 WeakPolarHBondContact O-CA 3.48Å; A352-F463 HydrophobicContact CB-CB 4.25Å; A352-F463 PolarHBondContact N-O 3.25Å; A352-F463 PolarHBondContact O-N 3.05Å; A352-L517 HydrophobicContact CB-CD1 3.39Å; A352-L517 HydrophobicContact CB-CG 4.46Å; A352-F524 HydrophobicContact CB-CD1 3.7Å; A352-F524 HydrophobicContact CB-CE1 3.5Å
353	P	79.8	Confident	87.3	Confident	66 Å²	66	51.1 Å²	51.1	43%	0.429	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	139.6	-176.5	-21.8	32.9	0	0	0	113.1	R523	P353-R523 WeakPolarHBondContact CD-O 3.19Å
354	L	77.9	Confident	87.8	Confident	19 Å²	19	46 Å²	46	10%	0.099	24%	0.241	C	C	.	.			trans	-111.3	139.9	179.6	-68.5	167.2	0	0	0	111.2	Y381 L459 G461 F463 V516	L354-Y381 HydrophobicContact CD1-CD2 4.21Å; L354-Y381 HydrophobicContact CD1-CE2 4.35Å; L354-L459 HydrophobicContact CD1-CB 4.39Å; L354-L459 HydrophobicContact CD1-CD2 4.34Å; L354-G461 WeakPolarHBondContact CB-O 3.36Å; L354-G461 PolarHBondContact N-O 3.21Å; L354-F463 HydrophobicContact CD1-CD1 4.17Å; L354-F463 HydrophobicContact CD1-CD2 3.65Å; L354-F463 HydrophobicContact CD1-CE1 4.25Å; L354-F463 HydrophobicContact CD1-CE2 3.77Å; L354-F463 HydrophobicContact CD1-CG 3.84Å; L354-F463 HydrophobicContact CD1-CZ 4.05Å; L354-F463 HydrophobicContact CD2-CD2 3.34Å; L354-F463 HydrophobicContact CD2-CE2 3.23Å; L354-F463 HydrophobicContact CD2-CG 4.34Å; L354-F463 HydrophobicContact CD2-CZ 4.16Å; L354-F463 HydrophobicContact CG-CD2 3.77Å; L354-F463 HydrophobicContact CG-CE2 4.01Å; L354-F463 HydrophobicContact CG-CG 4.33Å; L354-V516 HydrophobicContact CD2-CG1 3.83Å
355	S	78.7	Confident	88.2	Confident	90 Å²	90	42.1 Å²	42.1	63%	0.629	23%	0.227	S	C	*	.			trans	-80.7	143.5	162.9	-65.1	0	0	0	0	109.3	M357	S355-M357 PolarHBondContact O-N 3.03Å
356	R	81.6	Confident	88.9	Confident	230 Å²	230	40.5 Å²	40.5	87%	0.868	22%	0.218	S	C	*	.	S	Bend	trans	-59.8	122.9	179.8	-171.4	178	-174.7	173.5	3.7	110.8	L459	R356-L459 VanDerWaalsContact CA-O 3.29Å; R356-L459 WeakPolarHBondContact CA-O 3.36Å
357	M	89.7	Confident	89.5	Confident	49 Å²	49	38.1 Å²	38.1	24%	0.241	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	174	178.1	65.6	-179.9	72.5	0	0	111.5	S355 L359 L459 V516	S355-M357 PolarHBondContact O-N 3.03Å; M357-L359 HydrophobicContact CG-CD2 4.37Å; M357-L359 HydrophobicContact SD-CD2 3.97Å; M357-L459 HydrophobicContact CG-CB 3.86Å; M357-L459 HydrophobicContact CG-CD1 4.1Å; M357-L459 HydrophobicContact CG-CG 4.41Å; M357-L459 PolarHBondContact N-O 3.44Å; M357-L459 PolarHBondContact O-N 3.49Å; M357-L459 HydrophobicContact SD-CD1 4.24Å; M357-V516 HydrophobicContact CE-CG1 4.25Å; M357-V516 HydrophobicContact CE-CG2 4.45Å; M357-V516 HydrophobicContact SD-CB 4.26Å; M357-V516 HydrophobicContact SD-CG1 3.87Å; M357-V516 HydrophobicContact SD-CG2 3.7Å
358	T	93.1	Very high	90.4	Very high	71 Å²	71	34.4 Å²	34.4	44%	0.436	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.6	174.9	-51.6	0	0	0	0	109	M456 I457 N458	T358-M456 HydrophobicContact CG2-CB 4.04Å; T358-M456 HydrophobicContact CG2-CE 3.43Å; T358-M456 VanDerWaalsContact CG2-CE 3.43Å; T358-I457 CarbonylContact C-O 3.52Å; T358-I457 VanDerWaalsContact CA-O 3.26Å; T358-I457 WeakPolarHBondContact CA-O 3.05Å; T358-N458 VanDerWaalsContact CG2-OD1 3.31Å; T358-N458 WeakPolarHBondContact CG2-OD1 3.47Å; T358-N458 PolarHBondContact OG1-OD1 2.84Å
359	L	93.9	Very high	90.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.7	177.4	-50	-179.1	0	0	0	110.2	M357 F362 I457 L459 D492 V516	M357-L359 HydrophobicContact CG-CD2 4.37Å; M357-L359 HydrophobicContact SD-CD2 3.97Å; L359-F362 HydrophobicContact CD1-CB 4.22Å; L359-I457 HydrophobicContact CB-CB 4.19Å; L359-I457 PolarHBondContact N-O 3.25Å; L359-I457 PolarHBondContact O-N 2.94Å; L359-L459 HydrophobicContact CD1-CD1 3.42Å; L359-L459 VanDerWaalsContact CD1-CD1 3.42Å; L359-L459 HydrophobicContact CD1-CG 3.96Å; L359-L459 HydrophobicContact CD2-CD1 4.2Å; L359-L459 HydrophobicContact CG-CD1 3.79Å; L359-L459 HydrophobicContact CG-CG 4.09Å; L359-D492 HydrophobicContact CD2-CB 3.34Å; L359-V516 HydrophobicContact CD2-CG2 4.2Å
360	D	95.6	Very high	91	Very high	93 Å²	93	34 Å²	34	50%	0.497	18%	0.178	S	C	.	.	S	Bend	trans	-101.7	-10.1	163.5	62.1	-8.8	0	0	0	112.1	S432 M456	D360-S432 WeakPolarHBondContact O-CB 3.1Å; D360-S432 PolarHBondContact O-N 2.04Å; D360-M456 HydrophobicContact CB-CE 3.65Å; D360-M456 HydrophobicContact CB-SD 3.59Å; D360-M456 VanDerWaalsContact CB-SD 3.59Å
361	A	97.3	Very high	91	Very high	11 Å²	11	41 Å²	41	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	160.2	171.3	0	0	0	0	0	110	W430 D492 V494	A361-W430 CarbonylContact C-O 3.56Å; A361-W430 VanDerWaalsContact CA-O 3.22Å; A361-W430 WeakPolarHBondContact CA-O 3.09Å; A361-W430 WeakPolarHBondContact CB-O 3.46Å; A361-D492 CarbonylContact O-C 3.42Å; A361-D492 VanDerWaalsContact O-O 3.06Å; A361-V494 HydrophobicContact CB-CG2 4.16Å
362	F	97.9	Very high	91	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	163.4	168.8	67.4	-99.9	0	0	0	113.4	L359 V364 L390 L405 I407 T429 W430 I457 W491 Y493	L359-F362 HydrophobicContact CD1-CB 4.22Å; F362-V364 HydrophobicContact CD2-CG2 3.69Å; F362-V364 HydrophobicContact CE2-CG2 3.91Å; F362-L390 HydrophobicContact CD1-CD1 4Å; F362-L390 HydrophobicContact CE1-CD1 3.82Å; F362-L390 HydrophobicContact CE1-CG 4.46Å; F362-L390 HydrophobicContact CE2-CD1 4.46Å; F362-L390 HydrophobicContact CG-CD1 4.41Å; F362-L390 HydrophobicContact CZ-CD1 4.08Å; F362-L390 HydrophobicContact CZ-CG 4.43Å; F362-L405 HydrophobicContact CZ-CD1 3.95Å; F362-L405 HydrophobicContact CZ-CD2 4.38Å; F362-I407 HydrophobicContact CE1-CD1 3.58Å; F362-I407 HydrophobicContact CZ-CD1 3.87Å; F362-T429 WeakPolarHBondContact O-CA 3.5Å; F362-W430 HydrophobicContact CD1-CB 4.16Å; F362-W430 HydrophobicContact CD1-CD2 4.41Å; F362-W430 AromaticContact CD1-CE3 3.65Å; F362-W430 HydrophobicContact CD1-CE3 3.65Å; F362-W430 HydrophobicContact CD1-CZ3 4.41Å; F362-W430 HydrophobicContact CE1-CB 3.59Å; F362-W430 AromaticContact CE1-CD2 4Å; F362-W430 HydrophobicContact CE1-CD2 4Å; F362-W430 AromaticContact CE1-CE3 3.65Å; F362-W430 HydrophobicContact CE1-CE3 3.65Å; F362-W430 HydrophobicContact CE1-CG 4.03Å; F362-W430 HydrophobicContact CE2-CB 4.24Å; F362-W430 HydrophobicContact CZ-CB 3.63Å; F362-W430 HydrophobicContact CZ-CG 4.42Å; F362-W430 PolarHBondContact N-O 2.85Å; F362-W430 PolarHBondContact O-N 2.74Å; F362-I457 HydrophobicContact CD1-CD1 4.1Å; F362-I457 HydrophobicContact CE1-CD1 3.96Å; F362-W491 WeakPolarHBondContact CA-O 2.95Å; F362-W491 WeakPolarHBondContact CB-O 2.92Å; F362-Y493 CarbonylContact C-O 3.46Å
363	T	98.2	Very high	91.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	134.4	159.7	-53.8	0	0	0	0	108.9	V428 T429 V490 W491 Y493 V494 L495	T363-V428 CarbonylContact C-O 3.49Å; T363-V428 WeakPolarHBondContact CA-O 3.29Å; T363-T429 HydrophobicContact CG2-CG2 3.87Å; T363-V490 WeakPolarHBondContact O-CA 3.03Å; T363-W491 HydrophobicContact CG2-CE3 4.14Å; T363-W491 HydrophobicContact CG2-CZ3 4.5Å; T363-W491 PolarHBondContact N-O 2.81Å; T363-W491 PolarHBondContact O-N 3.31Å; T363-Y493 PolarHBondContact N-O 2.61Å; T363-Y493 PolarHBondContact OG1-O 3.1Å; T363-V494 WeakPolarHBondContact OG1-CA 3.42Å; T363-L495 HydrophobicContact CG2-CB 4.16Å; T363-L495 HydrophobicContact CG2-CD1 3.77Å; T363-L495 HydrophobicContact CG2-CG 3.8Å; T363-L495 PolarHBondContact OG1-N 2.86Å
364	V	97.8	Very high	91.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.8	170.6	177.7	0	0	0	0	107.6	F362 M366 I379 I392 C427 V428 N489 V490	F362-V364 HydrophobicContact CD2-CG2 3.69Å; F362-V364 HydrophobicContact CE2-CG2 3.91Å; V364-M366 HydrophobicContact CG1-SD 4.19Å; V364-I379 HydrophobicContact CG1-CG2 4.28Å; V364-I392 HydrophobicContact CB-CD1 3.7Å; V364-I392 HydrophobicContact CG1-CD1 3.76Å; V364-I392 HydrophobicContact CG2-CD1 3.97Å; V364-C427 CarbonylContact O-C 3.55Å; V364-C427 WeakPolarHBondContact O-CA 3.47Å; V364-V428 PolarHBondContact N-O 2.86Å; V364-V428 PolarHBondContact O-N 3.05Å; V364-N489 WeakPolarHBondContact CA-O 3.44Å; V364-V490 HydrophobicContact CG1-CG2 4.27Å; V364-V490 HydrophobicContact CG2-CG1 4.02Å; V364-V490 HydrophobicContact CG2-CG2 4.01Å
365	C	96.3	Very high	92.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	144.1	174.5	-69.8	0	0	0	0	110.9	Y426 C427 D487 V488 N489 W491 Q503	C365-Y426 CarbonylContact C-O 3.53Å; C365-Y426 VanDerWaalsContact CA-O 3.28Å; C365-Y426 WeakPolarHBondContact CA-O 2.9Å; C365-C427 HydrophobicContact CB-CB 4.15Å; C365-C427 WeakPolarHBondContact CB-SG 3.48Å; C365-C427 WeakPolarHBondContact SG-CB 3.3Å; C365-C427 CovalentContact SG-SG 2.04Å; C365-C427 PolarHBondContact SG-SG 2.89Å; C365-D487 VanDerWaalsContact O-O 3.05Å; C365-V488 CarbonylContact O-C 3.59Å; C365-V488 VanDerWaalsContact O-CA 3.32Å; C365-V488 WeakPolarHBondContact O-CA 3.36Å; C365-N489 PolarHBondContact N-O 3.04Å; C365-N489 PolarHBondContact O-N 3.11Å; C365-W491 HydrophobicContact CB-CH2 4.26Å; C365-W491 HydrophobicContact CB-CZ3 3.82Å; C365-Q503 HydrophobicContact CB-CB 4.49Å; C365-Q503 HydrophobicContact CB-CG 4.34Å
366	M	94.6	Very high	93	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	154.5	-179.3	57.3	-138	170.5	0	0	111.7	V364 V368 V378 I392 N425 Y426 V488	V364-M366 HydrophobicContact CG1-SD 4.19Å; M366-V368 HydrophobicContact CG-CG1 4.19Å; M366-V378 HydrophobicContact CE-CB 4.42Å; M366-V378 HydrophobicContact CE-CG1 4.34Å; M366-V378 HydrophobicContact CG-CG1 4.25Å; M366-V378 HydrophobicContact SD-CB 4.11Å; M366-V378 HydrophobicContact SD-CG1 3.5Å; M366-V378 WeakPolarHBondContact SD-CG1 2.92Å; M366-I392 HydrophobicContact CE-CG2 3.8Å; M366-N425 WeakPolarHBondContact O-CA 3.45Å; M366-N425 PolarHBondContact O-ND2 3.49Å; M366-Y426 PolarHBondContact N-O 3.37Å; M366-Y426 PolarHBondContact O-N 2.66Å; M366-V488 HydrophobicContact CB-CB 4.47Å; M366-V488 HydrophobicContact CB-CG2 4.03Å
367	H	93.1	Very high	93.6	Very high	13 Å²	13	30.9 Å²	30.9	6%	0.06	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.2	165.4	-69.6	69.2	0	0	0	109.2	W423 T424 N425 M485 T486 Q503 R537	H367-W423 HydrophobicContact CB-CE3 3.84Å; H367-W423 HydrophobicContact CB-CZ3 4.13Å; H367-W423 WeakPolarHBondContact O-CZ3 3.28Å; H367-T424 WeakPolarHBondContact CA-O 3.39Å; H367-N425 PolarHBondContact CE1-ND2 3.18Å; H367-M485 CarbonylContact O-C 3.09Å; H367-M485 VanDerWaalsContact O-CA 3.26Å; H367-M485 WeakPolarHBondContact O-CA 3.44Å; H367-T486 HydrophobicContact CB-CG2 3.86Å; H367-T486 PolarHBondContact N-O 2.97Å; H367-T486 PolarHBondContact O-N 3.38Å; H367-Q503 PolarHBondContact CE1-O 3.43Å; H367-R537 PolarHBondContact CE1-NH1 3.16Å; H367-R537 PolarHBondContact ND1-NH1 3.28Å
368	V	94	Very high	93.9	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	147.4	179.6	-57.6	0	0	0	0	110.8	M366 V378 I394 T424 Y426 F481 K484 M485	M366-V368 HydrophobicContact CG-CG1 4.19Å; V368-V378 HydrophobicContact CG1-CG1 4.09Å; V368-V378 HydrophobicContact CG1-CG2 4.41Å; V368-I394 HydrophobicContact CG1-CD1 4.42Å; V368-I394 HydrophobicContact CG2-CD1 3.75Å; V368-T424 PolarHBondContact N-O 3.39Å; V368-T424 PolarHBondContact O-N 3.11Å; V368-Y426 HydrophobicContact CG2-CD2 3.54Å; V368-Y426 HydrophobicContact CG2-CE2 3.35Å; V368-F481 HydrophobicContact CB-CE2 4.22Å; V368-F481 HydrophobicContact CB-CZ 4.13Å; V368-F481 HydrophobicContact CG1-CE2 4.08Å; V368-F481 HydrophobicContact CG1-CZ 4.18Å; V368-K484 CarbonylContact C-O 3.55Å; V368-K484 WeakPolarHBondContact CA-O 3.29Å; V368-M485 HydrophobicContact CG1-CB 4.2Å
369	L	93.1	Very high	94	Very high	16 Å²	16	25.2 Å²	25.2	8%	0.084	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	98.1	171.3	177	70.7	0	0	0	107.6	Q421 W423 G483 K484	L369-Q421 WeakPolarHBondContact CD1-O 3.33Å; L369-W423 HydrophobicContact CB-CD2 3.91Å; L369-W423 HydrophobicContact CB-CE3 3.92Å; L369-W423 HydrophobicContact CB-CG 4.48Å; L369-W423 HydrophobicContact CB-CH2 4.35Å; L369-W423 HydrophobicContact CB-CZ2 4.32Å; L369-W423 HydrophobicContact CB-CZ3 4.14Å; L369-G483 CarbonylContact O-C 3.56Å; L369-G483 WeakPolarHBondContact O-CA 3.32Å; L369-K484 HydrophobicContact CB-CB 4.24Å; L369-K484 HydrophobicContact CD2-CD 4.39Å; L369-K484 PolarHBondContact N-O 3.12Å; L369-K484 PolarHBondContact O-N 2.84Å
370	L	92.3	Very high	94.1	Very high	32 Å²	32	25.2 Å²	25.2	17%	0.168	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	140	-179.3	-62.5	-179.7	0	0	0	111.2	H376 I394 Q396 F481	L370-H376 HydrophobicContact CD2-CB 4.02Å; L370-I394 HydrophobicContact CD1-CB 4.46Å; L370-I394 HydrophobicContact CD1-CG2 3.82Å; L370-Q396 HydrophobicContact CD1-CB 4.21Å; L370-F481 HydrophobicContact CD2-CD2 4.17Å; L370-F481 HydrophobicContact CD2-CE2 3.54Å; L370-F481 HydrophobicContact CD2-CZ 4.04Å
371	R	90.8	Very high	93.9	Very high	147 Å²	147	21.4 Å²	21.4	56%	0.555	12%	0.121	S	C	*	.			trans	-119.1	-5.3	-179.3	-72.6	-172.5	172.8	-152	-5.3	114.5	V482 K484	R371-V482 HydrophobicContact CB-CG1 4.39Å; R371-V482 PolarHBondContact N-O 3.1Å; R371-K484 VanDerWaalsContact NH2-CE 3.29Å
372	A	89.5	Confident	93.5	Very high	29 Å²	29	22.6 Å²	22.6	24%	0.24	13%	0.129	C	C	.	.	S	Bend	trans	-134	156.1	174.1	0	0	0	0	0	110	H376 V482	A372-H376 PolarHBondContact O-NE2 2.75Å; A372-V482 HydrophobicContact CB-CB 3.96Å; A372-V482 HydrophobicContact CB-CG1 4.03Å; A372-V482 HydrophobicContact CB-CG2 4.42Å
373	P	89.3	Confident	92.9	Very high	101 Å²	101	23.8 Å²	23.8	66%	0.656	14%	0.137	S	C	*	.	S	Bend	trans	-78.1	164	167.2	33.2	-34.3	0	0	0	111.2	Q396	P373-Q396 WeakPolarHBondContact CA-O 3.47Å
374	G	90.1	Very high	92	Very high	25 Å²	25	29.7 Å²	29.7	26%	0.258	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	110.8	-160.6	177.6	0	0	0	0	0	112.6	H376 S395 Q396	G374-H376 PolarHBondContact O-CD2 3.21Å; G374-S395 WeakPolarHBondContact O-CA 3.35Å; G374-Q396 PolarHBondContact N-O 3.22Å; G374-Q396 PolarHBondContact O-N 3Å
375	V	91.2	Very high	91.1	Very high	57 Å²	57	35.9 Å²	35.9	35%	0.345	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	138.8	177.6	-173.2	0	0	0	0	109.4	R344 D479	R344-V375 PolarHBondContact NH1-O 2.95Å; R344-V375 PolarHBondContact NH2-O 2.98Å; V375-D479 HydrophobicContact CB-CB 4.29Å; V375-D479 HydrophobicContact CG1-CB 4.04Å; V375-D479 CarbonylContact O-C 3.56Å; V375-D479 WeakPolarHBondContact O-CA 3.49Å
376	H	94.1	Very high	90.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	112	179.2	-66.4	-73.6	0	0	0	110.5	R344 L370 A372 G374 V378 S393 I394 D479 A480 F481 V482	R344-H376 PolarHBondContact NH2-CE1 2.88Å; L370-H376 HydrophobicContact CD2-CB 4.02Å; A372-H376 PolarHBondContact O-NE2 2.75Å; G374-H376 PolarHBondContact O-CD2 3.21Å; H376-V378 PolarHBondContact O-N 2.85Å; H376-S393 CarbonylContact O-C 3.6Å; H376-S393 VanDerWaalsContact O-CA 3.26Å; H376-S393 WeakPolarHBondContact O-CA 3.26Å; H376-I394 PolarHBondContact N-O 3.43Å; H376-I394 PolarHBondContact O-N 3.04Å; H376-D479 CarbonylContact C-O 3.51Å; H376-D479 VanDerWaalsContact CA-O 3.27Å; H376-D479 WeakPolarHBondContact CA-O 2.94Å; H376-A480 PolarHBondContact ND1-O 3.15Å; H376-F481 HydrophobicContact CB-CD2 3.93Å; H376-V482 PolarHBondContact ND1-N 3.04Å; H376-V482 VanDerWaalsContact ND1-N 3.18Å
377	T	94.5	Very high	89.9	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.1	173.4	-62	0	0	0	0	109.8	M391 G466 K467 D468 D479 F481	T377-M391 HydrophobicContact CG2-CG 3.77Å; T377-M391 HydrophobicContact CG2-SD 3.65Å; T377-G466 CarbonylContact O-C 3.59Å; T377-G466 WeakPolarHBondContact O-CA 3.32Å; T377-K467 VanDerWaalsContact CG2-O 3.31Å; T377-K467 WeakPolarHBondContact CG2-O 3.31Å; T377-K467 PolarHBondContact O-N 2.75Å; T377-D468 HydrophobicContact CG2-CB 4.13Å; T377-D479 WeakPolarHBondContact CB-OD2 3.46Å; T377-D479 PolarHBondContact N-O 2.94Å; T377-D479 PolarHBondContact OG1-OD2 2.87Å; T377-F481 WeakPolarHBondContact O-CB 3.26Å
378	V	95.4	Very high	89.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-46.4	-175.3	-174.4	0	0	0	0	110.5	M366 V368 H376 I392 I394 L465 G466 F481 M485	M366-V378 HydrophobicContact CE-CB 4.42Å; M366-V378 HydrophobicContact CE-CG1 4.34Å; M366-V378 HydrophobicContact CG-CG1 4.25Å; M366-V378 HydrophobicContact SD-CB 4.11Å; M366-V378 HydrophobicContact SD-CG1 3.5Å; M366-V378 WeakPolarHBondContact SD-CG1 2.92Å; V368-V378 HydrophobicContact CG1-CG1 4.09Å; V368-V378 HydrophobicContact CG1-CG2 4.41Å; H376-V378 PolarHBondContact O-N 2.85Å; V378-I392 PolarHBondContact N-O 3.42Å; V378-I394 HydrophobicContact CG2-CD1 3.61Å; V378-I394 HydrophobicContact CG2-CG1 3.84Å; V378-L465 WeakPolarHBondContact O-CA 3.49Å; V378-G466 PolarHBondContact O-N 2.74Å; V378-F481 HydrophobicContact CG2-CD2 4.13Å; V378-F481 HydrophobicContact CG2-CE2 4.13Å; V378-M485 HydrophobicContact CG1-CE 4.12Å
379	I	95.7	Very high	89.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.1	177.7	-175.9	166.3	0	0	0	108.7	V364 M391 I392 F463 V464 L465 V488 V490	V364-I379 HydrophobicContact CG1-CG2 4.28Å; I379-M391 WeakPolarHBondContact O-CA 3.45Å; I379-I392 HydrophobicContact CG2-CB 3.97Å; I379-I392 HydrophobicContact CG2-CD1 4.06Å; I379-I392 HydrophobicContact CG2-CG1 4.13Å; I379-I392 PolarHBondContact O-N 3.3Å; I379-F463 HydrophobicContact CD1-CB 4.19Å; I379-F463 HydrophobicContact CD1-CD1 3.75Å; I379-F463 HydrophobicContact CD1-CD2 4.12Å; I379-F463 HydrophobicContact CD1-CE1 4.14Å; I379-F463 HydrophobicContact CD1-CE2 4.45Å; I379-F463 HydrophobicContact CD1-CG 3.78Å; I379-F463 HydrophobicContact CD1-CZ 4.49Å; I379-F463 HydrophobicContact CG1-CB 4.24Å; I379-F463 HydrophobicContact CG1-CD1 3.81Å; I379-F463 HydrophobicContact CG1-CE1 4.43Å; I379-F463 HydrophobicContact CG1-CG 4.12Å; I379-V464 CarbonylContact C-O 3.56Å; I379-V464 WeakPolarHBondContact CA-O 3.25Å; I379-L465 HydrophobicContact CB-CD2 3.69Å; I379-L465 HydrophobicContact CD1-CD2 3.86Å; I379-L465 HydrophobicContact CG1-CD2 3.67Å; I379-V488 HydrophobicContact CD1-CG1 4.39Å; I379-V490 HydrophobicContact CD1-CG2 4.03Å
380	S	94.4	Very high	89.7	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.4	172.9	77	0	0	0	0	111	L390 V464 K467 Q469	S380-L390 CarbonylContact C-O 3.51Å; S380-L390 WeakPolarHBondContact CA-O 3.35Å; S380-V464 PolarHBondContact N-O 2.94Å; S380-V464 PolarHBondContact O-N 2.99Å; S380-K467 WeakPolarHBondContact CB-O 3.23Å; S380-K467 PolarHBondContact OG-O 2.82Å; S380-Q469 VanDerWaalsContact C-OE1 3.31Å; S380-Q469 PolarHBondContact O-OE1 3.13Å; S380-Q469 WeakPolarHBondContact OG-CG 3.36Å; S380-Q469 PolarHBondContact OG-OE1 3.19Å; S380-Q469 VanDerWaalsContact OG-OE1 3.12Å
381	Y	93.1	Very high	89.9	Confident	14 Å²	14	40.7 Å²	40.7	6%	0.055	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	121.4	170.4	176.8	-114	0	0	0	108.5	L354 E389 L390 I457 N458 L459 A460 F463	L354-Y381 HydrophobicContact CD1-CD2 4.21Å; L354-Y381 HydrophobicContact CD1-CE2 4.35Å; Y381-E389 HydrophobicContact CD1-CB 3.73Å; Y381-E389 HydrophobicContact CD1-CG 3.72Å; Y381-E389 HydrophobicContact CE1-CB 4.04Å; Y381-E389 HydrophobicContact CE1-CG 3.72Å; Y381-E389 WeakPolarHBondContact O-CB 3.06Å; Y381-E389 PolarHBondContact O-N 2.6Å; Y381-E389 VanDerWaalsContact O-N 3.1Å; Y381-L390 PolarHBondContact N-O 2.93Å; Y381-L390 PolarHBondContact O-N 3.27Å; Y381-I457 HydrophobicContact CD1-CG2 4.5Å; Y381-I457 HydrophobicContact CE1-CG2 4.48Å; Y381-N458 WeakPolarHBondContact CE1-O 3.32Å; Y381-N458 PolarHBondContact OH-O 3.29Å; Y381-L459 HydrophobicContact CD1-CD2 3.44Å; Y381-L459 VanDerWaalsContact CD1-CD2 3.44Å; Y381-L459 HydrophobicContact CD2-CD2 4.39Å; Y381-L459 HydrophobicContact CE1-CD2 3.47Å; Y381-L459 VanDerWaalsContact CE1-CD2 3.47Å; Y381-L459 HydrophobicContact CE2-CD2 4.45Å; Y381-L459 HydrophobicContact CG-CD2 3.93Å; Y381-L459 WeakPolarHBondContact OH-CA 3.31Å; Y381-A460 WeakPolarHBondContact CE2-O 3.36Å; Y381-A460 PolarHBondContact OH-N 3.17Å; Y381-A460 PolarHBondContact OH-O 2.72Å; Y381-F463 HydrophobicContact CG-CD1 4.42Å; Y381-F463 HydrophobicContact CG-CE1 4.26Å
382	S	87.6	Confident	90.2	Very high	36 Å²	36	33.7 Å²	33.7	25%	0.252	21%	0.208	S	C	.	.			trans	-100.7	142.7	167.6	64.6	0	0	0	0	110.5	D387 Q469	S382-D387 WeakPolarHBondContact CA-O 3.15Å; S382-D387 WeakPolarHBondContact CB-O 3.39Å; S382-Q469 VanDerWaalsContact N-OE1 3.13Å; S382-Q469 PolarHBondContact OG-NE2 3.48Å
383	S	85.3	Confident	90.5	Very high	25 Å²	25	32.5 Å²	32.5	18%	0.175	20%	0.198	C	C	.	.			trans	-104.2	176	171.3	77.6	0	0	0	0	110.1	I385 H386 E389	S383-I385 PolarHBondContact O-N 2.94Å; S383-I385 VanDerWaalsContact O-N 3.15Å; S383-I385 PolarHBondContact OG-N 2.01Å; S383-H386 PolarHBondContact N-O 2.87Å; S383-H386 PolarHBondContact OG-N 3.07Å; S383-E389 VanDerWaalsContact CB-OE2 3.31Å; S383-E389 WeakPolarHBondContact CB-OE2 3.24Å; S383-E389 PolarHBondContact OG-OE2 2.78Å
384	S	79.4	Confident	90.8	Very high	123 Å²	123	27.8 Å²	27.8	86%	0.86	17%	0.167	S	C	*	.	S	Bend	trans	-68.1	-7.9	172.8	63.9	0	0	0	0	113.5
385	I	79.9	Confident	90.8	Very high	130 Å²	130	27.1 Å²	27.1	67%	0.667	16%	0.159	S	C	*	.	S	Bend	trans	-114.9	-39.3	-174.2	-53.7	178.9	0	0	0	110.5	S383	S383-I385 PolarHBondContact O-N 2.94Å; S383-I385 VanDerWaalsContact O-N 3.15Å; S383-I385 PolarHBondContact OG-N 2.01Å
386	H	82.1	Confident	90.6	Very high	44 Å²	44	26.8 Å²	26.8	20%	0.204	15%	0.153	C	C	.	.			trans	-122.8	124.7	-173.5	-63.8	-66.5	0	0	0	109.9	S383 N388 E389 D409	S383-H386 PolarHBondContact N-O 2.87Å; S383-H386 PolarHBondContact OG-N 3.07Å; H386-N388 PolarHBondContact O-N 3.47Å; H386-E389 HydrophobicContact CB-CB 4.15Å; H386-E389 WeakPolarHBondContact CB-OE2 3.49Å; H386-E389 IonicContact CD2-OE2 3.31Å; H386-E389 PolarHBondContact CD2-OE2 2.97Å; H386-E389 IonicContact CG-OE2 3.88Å; H386-D409 WeakPolarHBondContact CA-OD2 3.48Å; H386-D409 WeakPolarHBondContact CB-OD2 3.47Å; H386-D409 IonicContact CE1-OD2 3.24Å; H386-D409 IonicContact CG-OD2 3.9Å; H386-D409 IonicContact ND1-OD2 3.44Å; H386-D409 PolarHBondContact ND1-OD2 2.93Å
387	D	82.3	Confident	90	Very high	81 Å²	81	30.1 Å²	30.1	43%	0.433	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-36.5	175.6	-68.1	-27	0	0	0	109.7	S382 D409 G471	S382-D387 WeakPolarHBondContact CA-O 3.15Å; S382-D387 WeakPolarHBondContact CB-O 3.39Å; D387-D409 PolarHBondContact N-OD1 3.02Å; D387-D409 VanDerWaalsContact N-OD1 3.12Å; D387-G471 WeakPolarHBondContact OD1-CA 3.19Å
388	N	88.3	Confident	89.2	Confident	26 Å²	26	34.9 Å²	34.9	14%	0.139	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.5	66	177.2	-72.1	-74.2	0	0	0	110.8	H386 M391 W406 G408 D409 D468	H386-N388 PolarHBondContact O-N 3.47Å; N388-M391 WeakPolarHBondContact OD1-CE 3.49Å; N388-W406 HydrophobicContact CB-CB 3.91Å; N388-W406 HydrophobicContact CB-CG 4.17Å; N388-G408 PolarHBondContact O-N 3.05Å; N388-D409 PolarHBondContact N-OD1 3Å; N388-D409 PolarHBondContact O-N 2.89Å; N388-D468 PolarHBondContact OD1-OD1 3.47Å
389	E	93.4	Very high	88.2	Confident	7 Å²	7	42.3 Å²	42.3	3%	0.033	25%	0.251	C	S	.	.	S	Bend	trans	-65.8	-44	177.4	-177.2	72.8	-139.3	0	0	111.4	Y381 S383 H386 I407 G408 H455 I457	Y381-E389 HydrophobicContact CD1-CB 3.73Å; Y381-E389 HydrophobicContact CD1-CG 3.72Å; Y381-E389 HydrophobicContact CE1-CB 4.04Å; Y381-E389 HydrophobicContact CE1-CG 3.72Å; Y381-E389 WeakPolarHBondContact O-CB 3.06Å; Y381-E389 PolarHBondContact O-N 2.6Å; Y381-E389 VanDerWaalsContact O-N 3.1Å; S383-E389 VanDerWaalsContact CB-OE2 3.31Å; S383-E389 WeakPolarHBondContact CB-OE2 3.24Å; S383-E389 PolarHBondContact OG-OE2 2.78Å; H386-E389 HydrophobicContact CB-CB 4.15Å; H386-E389 WeakPolarHBondContact CB-OE2 3.49Å; H386-E389 IonicContact CD2-OE2 3.31Å; H386-E389 PolarHBondContact CD2-OE2 2.97Å; H386-E389 IonicContact CG-OE2 3.88Å; E389-I407 WeakPolarHBondContact O-CA 3.34Å; E389-G408 PolarHBondContact O-N 2.83Å; E389-H455 IonicContact OE1-CD2 2.91Å; E389-H455 IonicContact OE1-CE1 3.51Å; E389-H455 IonicContact OE1-NE2 2.76Å; E389-H455 PolarHBondContact OE1-NE2 3.22Å; E389-I457 HydrophobicContact CG-CG2 3.82Å
390	L	95.2	Very high	87.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	115.5	168.7	-177.3	163.2	0	0	0	108.9	F362 S380 Y381 W406 I407 I457 F463	F362-L390 HydrophobicContact CD1-CD1 4Å; F362-L390 HydrophobicContact CE1-CD1 3.82Å; F362-L390 HydrophobicContact CE1-CG 4.46Å; F362-L390 HydrophobicContact CE2-CD1 4.46Å; F362-L390 HydrophobicContact CG-CD1 4.41Å; F362-L390 HydrophobicContact CZ-CD1 4.08Å; F362-L390 HydrophobicContact CZ-CG 4.43Å; S380-L390 CarbonylContact C-O 3.51Å; S380-L390 WeakPolarHBondContact CA-O 3.35Å; Y381-L390 PolarHBondContact N-O 2.93Å; Y381-L390 PolarHBondContact O-N 3.27Å; L390-W406 WeakPolarHBondContact CA-O 3.25Å; L390-I407 HydrophobicContact CB-CD1 4.45Å; L390-I407 HydrophobicContact CG-CD1 4.27Å; L390-I457 HydrophobicContact CD1-CD1 4.18Å; L390-F463 HydrophobicContact CD2-CE1 4.34Å
391	M	95.4	Very high	87.2	Confident	7 Å²	7	47.3 Å²	47.3	3%	0.034	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.4	172.7	-179.3	176.6	67.1	0	0	111.3	T377 I379 N388 L405 W406 D468	T377-M391 HydrophobicContact CG2-CG 3.77Å; T377-M391 HydrophobicContact CG2-SD 3.65Å; I379-M391 WeakPolarHBondContact O-CA 3.45Å; N388-M391 WeakPolarHBondContact OD1-CE 3.49Å; M391-L405 WeakPolarHBondContact O-CA 3.24Å; M391-W406 HydrophobicContact CB-CB 4.07Å; M391-W406 HydrophobicContact CB-CD2 4.43Å; M391-W406 HydrophobicContact CB-CE3 4.15Å; M391-W406 HydrophobicContact CB-CG 4.41Å; M391-W406 HydrophobicContact CE-CD2 3.29Å; M391-W406 VanDerWaalsContact CE-CE2 3.46Å; M391-W406 HydrophobicContact CE-CE3 3.38Å; M391-W406 HydrophobicContact CE-CG 3.89Å; M391-W406 HydrophobicContact CE-CH2 3.93Å; M391-W406 HydrophobicContact CE-CZ2 3.79Å; M391-W406 HydrophobicContact CE-CZ3 3.71Å; M391-W406 HydrophobicContact CG-CE3 4.16Å; M391-W406 PolarHBondContact N-O 3.19Å; M391-W406 VanDerWaalsContact N-O 3.15Å; M391-W406 PolarHBondContact O-N 2.95Å; M391-D468 HydrophobicContact SD-CB 3.71Å; M391-D468 VanDerWaalsContact SD-OD2 3.35Å
392	I	97.8	Very high	87.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	124.4	168.8	-54.8	172.8	0	0	0	109.5	V364 M366 V378 I379 V403 G404 L405 V428	V364-I392 HydrophobicContact CB-CD1 3.7Å; V364-I392 HydrophobicContact CG1-CD1 3.76Å; V364-I392 HydrophobicContact CG2-CD1 3.97Å; M366-I392 HydrophobicContact CE-CG2 3.8Å; V378-I392 PolarHBondContact N-O 3.42Å; I379-I392 HydrophobicContact CG2-CB 3.97Å; I379-I392 HydrophobicContact CG2-CD1 4.06Å; I379-I392 HydrophobicContact CG2-CG1 4.13Å; I379-I392 PolarHBondContact O-N 3.3Å; I392-V403 HydrophobicContact CG2-CG1 3.88Å; I392-G404 WeakPolarHBondContact CA-O 3.5Å; I392-L405 HydrophobicContact CD1-CD1 4.49Å; I392-L405 HydrophobicContact CG1-CD1 3.81Å; I392-V428 HydrophobicContact CD1-CB 4.08Å; I392-V428 HydrophobicContact CD1-CG2 4.18Å; I392-V428 HydrophobicContact CG2-CG2 4.4Å
393	S	95.8	Very high	87.7	Confident	5 Å²	5	47.6 Å²	47.6	4%	0.035	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	153.1	173.6	76.2	0	0	0	0	111.7	H376 V403 G404 W406	H376-S393 CarbonylContact O-C 3.6Å; H376-S393 VanDerWaalsContact O-CA 3.26Å; H376-S393 WeakPolarHBondContact O-CA 3.26Å; S393-V403 WeakPolarHBondContact O-CA 3.49Å; S393-G404 PolarHBondContact N-O 3.48Å; S393-G404 VanDerWaalsContact N-O 3.11Å; S393-G404 PolarHBondContact O-N 3.48Å; S393-W406 WeakPolarHBondContact OG-CH2 3.18Å; S393-W406 WeakPolarHBondContact OG-CZ3 3.12Å
394	I	95.3	Very high	88.2	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	122.4	176.8	-56.6	174.8	0	0	0	107.2	V368 L370 H376 V378 V403 Y426	V368-I394 HydrophobicContact CG1-CD1 4.42Å; V368-I394 HydrophobicContact CG2-CD1 3.75Å; L370-I394 HydrophobicContact CD1-CB 4.46Å; L370-I394 HydrophobicContact CD1-CG2 3.82Å; H376-I394 PolarHBondContact N-O 3.43Å; H376-I394 PolarHBondContact O-N 3.04Å; V378-I394 HydrophobicContact CG2-CD1 3.61Å; V378-I394 HydrophobicContact CG2-CG1 3.84Å; I394-V403 HydrophobicContact CG1-CG2 4.48Å; I394-Y426 HydrophobicContact CD1-CD1 4.49Å; I394-Y426 HydrophobicContact CD1-CD2 3.77Å; I394-Y426 HydrophobicContact CD1-CE1 4.44Å; I394-Y426 HydrophobicContact CD1-CE2 3.7Å; I394-Y426 HydrophobicContact CD1-CG 4.17Å
395	S	91.6	Very high	89.1	Confident	12 Å²	12	40.6 Å²	40.6	8%	0.084	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	124.2	176	-178	0	0	0	0	109.6	G374 R401 E402	G374-S395 WeakPolarHBondContact O-CA 3.35Å; S395-R401 WeakPolarHBondContact O-CA 3.32Å; S395-E402 PolarHBondContact N-O 3.46Å; S395-E402 PolarHBondContact O-N 3.02Å; S395-E402 VanDerWaalsContact O-N 3.15Å
396	Q	87	Confident	89.8	Confident	49 Å²	49	36.5 Å²	36.5	23%	0.229	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	107.9	175.7	-174.6	170.4	6.6	0	0	110.2	L370 P373 G374 R401	L370-Q396 HydrophobicContact CD1-CB 4.21Å; P373-Q396 WeakPolarHBondContact CA-O 3.47Å; G374-Q396 PolarHBondContact N-O 3.22Å; G374-Q396 PolarHBondContact O-N 3Å; Q396-R401 HydrophobicContact CG-CG 4.24Å
397	D	80.9	Confident	90.5	Very high	70 Å²	70	34.4 Å²	34.4	37%	0.374	20%	0.195	S	C	.	.			trans	-127	-173.9	171.6	74.8	26.8	0	0	0	111.9	N399 A400	D397-N399 PolarHBondContact O-N 2.81Å; D397-N399 WeakPolarHBondContact OD1-CA 3.26Å; D397-N399 PolarHBondContact OD1-N 2.86Å; D397-A400 PolarHBondContact N-O 2.83Å; D397-A400 VanDerWaalsContact N-O 3.16Å; D397-A400 PolarHBondContact OD1-N 2.81Å
398	A	76.8	Confident	90.9	Very high	102 Å²	102	30.9 Å²	30.9	84%	0.843	18%	0.178	S	C	*	.	S	Bend	trans	-69.1	-19.6	-177.6	0	0	0	0	0	113.7
399	N	74.6	Confident	90.9	Very high	156 Å²	156	33.2 Å²	33.2	83%	0.834	19%	0.19	S	C	*	.	S	Bend	trans	-113.7	-30	-168.1	-61.4	-35.2	0	0	0	112.9	D397	D397-N399 PolarHBondContact O-N 2.81Å; D397-N399 WeakPolarHBondContact OD1-CA 3.26Å; D397-N399 PolarHBondContact OD1-N 2.86Å
400	A	80.6	Confident	90.9	Very high	47 Å²	47	36.6 Å²	36.6	39%	0.388	21%	0.209	S	C	.	.			trans	-147.1	153.2	-173.5	0	0	0	0	0	112.4	D397	D397-A400 PolarHBondContact N-O 2.83Å; D397-A400 VanDerWaalsContact N-O 3.16Å; D397-A400 PolarHBondContact OD1-N 2.81Å
401	R	89.8	Confident	90.9	Very high	59 Å²	59	41.7 Å²	41.7	22%	0.223	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	124.8	172.5	-62.1	-177.2	-172.6	156.6	-2.9	109.2	S395 Q396 P415 H416 F418 N419	S395-R401 WeakPolarHBondContact O-CA 3.32Å; Q396-R401 HydrophobicContact CG-CG 4.24Å; R401-P415 CarbonylContact O-C 3.59Å; R401-P415 VanDerWaalsContact O-CA 3.3Å; R401-P415 WeakPolarHBondContact O-CA 3.46Å; R401-H416 PolarHBondContact O-N 3.38Å; R401-F418 WeakPolarHBondContact CD-O 3.43Å; R401-F418 PolarHBondContact NH1-O 2.84Å; R401-N419 VanDerWaalsContact CZ-OD1 3.25Å; R401-N419 PolarHBondContact NH1-OD1 2.69Å; R401-N419 VanDerWaalsContact NH1-OD1 3.08Å; R401-N419 PolarHBondContact NH2-OD1 3.01Å
402	E	93.3	Very high	90.9	Very high	55 Å²	55	42.4 Å²	42.4	26%	0.257	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	151.2	-174.5	58.6	-175.7	-175.6	0	0	110.9	S395 N413 M414	S395-E402 PolarHBondContact N-O 3.46Å; S395-E402 PolarHBondContact O-N 3.02Å; S395-E402 VanDerWaalsContact O-N 3.15Å; E402-N413 VanDerWaalsContact CD-ND2 3.27Å; E402-N413 PolarHBondContact OE1-ND2 2.72Å; E402-N413 WeakPolarHBondContact OE2-CB 3.45Å; E402-N413 PolarHBondContact OE2-ND2 2.76Å; E402-M414 WeakPolarHBondContact CA-O 3.34Å
403	V	96.3	Very high	90.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.6	166.2	179.4	0	0	0	0	107.2	I392 S393 I394 M414 Y426 V428 L439	I392-V403 HydrophobicContact CG2-CG1 3.88Å; S393-V403 WeakPolarHBondContact O-CA 3.49Å; I394-V403 HydrophobicContact CG1-CG2 4.48Å; V403-M414 HydrophobicContact CB-CE 4.41Å; V403-M414 HydrophobicContact CG1-CE 4.22Å; V403-M414 PolarHBondContact N-O 2.86Å; V403-M414 VanDerWaalsContact N-O 3.08Å; V403-M414 PolarHBondContact O-N 3.32Å; V403-Y426 HydrophobicContact CG2-CD1 3.76Å; V403-Y426 HydrophobicContact CG2-CE1 3.67Å; V403-V428 HydrophobicContact CG1-CG2 4.2Å; V403-L439 HydrophobicContact CB-CD1 4.14Å; V403-L439 HydrophobicContact CB-CD2 3.91Å; V403-L439 HydrophobicContact CG1-CD1 4.2Å; V403-L439 HydrophobicContact CG2-CD1 3.96Å; V403-L439 HydrophobicContact CG2-CD2 3.82Å
404	G	96.1	Very high	90.7	Very high	2 Å²	2	45 Å²	45	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	138.8	173.4	0	0	0	0	0	110.4	I392 S393 W406 V412	I392-G404 WeakPolarHBondContact CA-O 3.5Å; S393-G404 PolarHBondContact N-O 3.48Å; S393-G404 VanDerWaalsContact N-O 3.11Å; S393-G404 PolarHBondContact O-N 3.48Å; G404-W406 WeakPolarHBondContact O-CZ3 3.39Å; G404-V412 WeakPolarHBondContact CA-O 3.45Å
405	L	97.8	Very high	90.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.9	169.9	175.1	68.4	0	0	0	109.2	F362 M391 I392 I407 F411 V412 M414 V428 W430 V437 L451	F362-L405 HydrophobicContact CZ-CD1 3.95Å; F362-L405 HydrophobicContact CZ-CD2 4.38Å; M391-L405 WeakPolarHBondContact O-CA 3.24Å; I392-L405 HydrophobicContact CD1-CD1 4.49Å; I392-L405 HydrophobicContact CG1-CD1 3.81Å; L405-I407 HydrophobicContact CD1-CD1 4.18Å; L405-I407 HydrophobicContact CD1-CG1 4.43Å; L405-I407 HydrophobicContact CD2-CG1 4.29Å; L405-I407 HydrophobicContact CG-CD1 4.46Å; L405-I407 HydrophobicContact CG-CG1 4.18Å; L405-F411 CarbonylContact O-C 3.38Å; L405-F411 WeakPolarHBondContact O-CA 3.5Å; L405-V412 HydrophobicContact CB-CG1 4.31Å; L405-V412 PolarHBondContact N-O 3.11Å; L405-V412 PolarHBondContact O-N 3.18Å; L405-M414 HydrophobicContact CB-CE 4.18Å; L405-V428 HydrophobicContact CD1-CG1 4.26Å; L405-V428 HydrophobicContact CD2-CG1 3.94Å; L405-W430 HydrophobicContact CD2-CB 4.46Å; L405-V437 HydrophobicContact CD2-CB 4.46Å; L405-V437 HydrophobicContact CD2-CG1 3.66Å; L405-V437 HydrophobicContact CD2-CG2 3.84Å; L405-L451 HydrophobicContact CD2-CD2 4.23Å; L405-L451 HydrophobicContact CG-CD2 4.18Å
406	W	96.1	Very high	90.6	Very high	44 Å²	44	50.3 Å²	50.3	17%	0.167	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	137.3	171.7	-66.5	-112.9	0	0	0	110	N388 L390 M391 S393 G404 D410 F411	N388-W406 HydrophobicContact CB-CB 3.91Å; N388-W406 HydrophobicContact CB-CG 4.17Å; L390-W406 WeakPolarHBondContact CA-O 3.25Å; M391-W406 HydrophobicContact CB-CB 4.07Å; M391-W406 HydrophobicContact CB-CD2 4.43Å; M391-W406 HydrophobicContact CB-CE3 4.15Å; M391-W406 HydrophobicContact CB-CG 4.41Å; M391-W406 HydrophobicContact CE-CD2 3.29Å; M391-W406 VanDerWaalsContact CE-CE2 3.46Å; M391-W406 HydrophobicContact CE-CE3 3.38Å; M391-W406 HydrophobicContact CE-CG 3.89Å; M391-W406 HydrophobicContact CE-CH2 3.93Å; M391-W406 HydrophobicContact CE-CZ2 3.79Å; M391-W406 HydrophobicContact CE-CZ3 3.71Å; M391-W406 HydrophobicContact CG-CE3 4.16Å; M391-W406 PolarHBondContact N-O 3.19Å; M391-W406 VanDerWaalsContact N-O 3.15Å; M391-W406 PolarHBondContact O-N 2.95Å; S393-W406 WeakPolarHBondContact OG-CH2 3.18Å; S393-W406 WeakPolarHBondContact OG-CZ3 3.12Å; G404-W406 WeakPolarHBondContact O-CZ3 3.39Å; W406-D410 CarbonylContact C-O 3.39Å; W406-D410 VanDerWaalsContact CA-O 3.26Å; W406-D410 WeakPolarHBondContact CA-O 3.46Å; W406-F411 HydrophobicContact CB-CB 4.47Å; W406-F411 HydrophobicContact CD2-CB 3.91Å; W406-F411 HydrophobicContact CG-CB 3.73Å; W406-F411 HydrophobicContact CZ2-CB 4.45Å; W406-F411 HydrophobicContact CZ2-CD2 4.38Å; W406-F411 AromaticContact NE1-CG 3.91Å
407	I	95.6	Very high	90.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	121.8	172.1	-57.7	-66	0	0	0	107.7	F362 E389 L390 L405 D409 D410 W430 L451 Q452 H455 I457	F362-I407 HydrophobicContact CE1-CD1 3.58Å; F362-I407 HydrophobicContact CZ-CD1 3.87Å; E389-I407 WeakPolarHBondContact O-CA 3.34Å; L390-I407 HydrophobicContact CB-CD1 4.45Å; L390-I407 HydrophobicContact CG-CD1 4.27Å; L405-I407 HydrophobicContact CD1-CD1 4.18Å; L405-I407 HydrophobicContact CD1-CG1 4.43Å; L405-I407 HydrophobicContact CD2-CG1 4.29Å; L405-I407 HydrophobicContact CG-CD1 4.46Å; L405-I407 HydrophobicContact CG-CG1 4.18Å; I407-D409 VanDerWaalsContact C-N 3.3Å; I407-D409 PolarHBondContact O-N 3.27Å; I407-D410 PolarHBondContact N-O 2.75Å; I407-D410 PolarHBondContact O-N 3.11Å; I407-W430 HydrophobicContact CG2-CZ2 4.15Å; I407-L451 HydrophobicContact CB-CD2 3.96Å; I407-L451 HydrophobicContact CB-CG 4.38Å; I407-L451 HydrophobicContact CG1-CD2 3.74Å; I407-Q452 HydrophobicContact CB-CB 4.21Å; I407-Q452 HydrophobicContact CB-CG 4.03Å; I407-Q452 HydrophobicContact CG2-CB 3.86Å; I407-Q452 HydrophobicContact CG2-CG 4Å; I407-Q452 VanDerWaalsContact O-CG 3.3Å; I407-Q452 WeakPolarHBondContact O-CG 3.16Å; I407-Q452 PolarHBondContact O-NE2 2.94Å; I407-H455 VanDerWaalsContact CG2-CD2 3.42Å; I407-H455 WeakPolarHBondContact CG2-CD2 2.86Å; I407-I457 HydrophobicContact CD1-CD1 3.77Å; I407-I457 HydrophobicContact CG2-CD1 4.23Å; I407-I457 HydrophobicContact CG2-CG1 4.37Å
408	G	91.2	Very high	90.6	Very high	7 Å²	7	51.9 Å²	51.9	7%	0.072	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	47.7	179.3	0	0	0	0	0	113.5	N388 E389 D410	N388-G408 PolarHBondContact O-N 3.05Å; E389-G408 PolarHBondContact O-N 2.83Å; G408-D410 PolarHBondContact O-N 2.93Å; G408-D410 VanDerWaalsContact O-N 3.09Å
409	D	89.1	Confident	90.5	Very high	74 Å²	74	52.5 Å²	52.5	40%	0.396	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-0.6	-177.2	-51.9	-45	0	0	0	117.1	H386 D387 N388 I407	H386-D409 WeakPolarHBondContact CA-OD2 3.48Å; H386-D409 WeakPolarHBondContact CB-OD2 3.47Å; H386-D409 IonicContact CE1-OD2 3.24Å; H386-D409 IonicContact CG-OD2 3.9Å; H386-D409 IonicContact ND1-OD2 3.44Å; H386-D409 PolarHBondContact ND1-OD2 2.93Å; D387-D409 PolarHBondContact N-OD1 3.02Å; D387-D409 VanDerWaalsContact N-OD1 3.12Å; N388-D409 PolarHBondContact N-OD1 3Å; N388-D409 PolarHBondContact O-N 2.89Å; I407-D409 VanDerWaalsContact C-N 3.3Å; I407-D409 PolarHBondContact O-N 3.27Å
410	D	93.6	Very high	90.3	Very high	78 Å²	78	47.6 Å²	47.6	42%	0.417	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	150.9	170.1	-164.9	15.9	0	0	0	110.1	W406 I407 G408 L451 Q452	W406-D410 CarbonylContact C-O 3.39Å; W406-D410 VanDerWaalsContact CA-O 3.26Å; W406-D410 WeakPolarHBondContact CA-O 3.46Å; I407-D410 PolarHBondContact N-O 2.75Å; I407-D410 PolarHBondContact O-N 3.11Å; G408-D410 PolarHBondContact O-N 2.93Å; G408-D410 VanDerWaalsContact O-N 3.09Å; D410-L451 HydrophobicContact CB-CD1 3.94Å; D410-Q452 HydrophobicContact CB-CG 4.03Å
411	F	94.8	Very high	89.9	Confident	107 Å²	107	54.7 Å²	54.7	47%	0.469	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	155.7	-171.1	82.2	-80.6	0	0	0	114.6	L405 W406	L405-F411 CarbonylContact O-C 3.38Å; L405-F411 WeakPolarHBondContact O-CA 3.5Å; W406-F411 HydrophobicContact CB-CB 4.47Å; W406-F411 HydrophobicContact CD2-CB 3.91Å; W406-F411 HydrophobicContact CG-CB 3.73Å; W406-F411 HydrophobicContact CZ2-CB 4.45Å; W406-F411 HydrophobicContact CZ2-CD2 4.38Å; W406-F411 AromaticContact NE1-CG 3.91Å
412	V	95.6	Very high	89.7	Confident	22 Å²	22	56 Å²	56	13%	0.133	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.3	172.3	72	0	0	0	0	111.6	G404 L405 R449 L451	G404-V412 WeakPolarHBondContact CA-O 3.45Å; L405-V412 HydrophobicContact CB-CG1 4.31Å; L405-V412 PolarHBondContact N-O 3.11Å; L405-V412 PolarHBondContact O-N 3.18Å; V412-R449 HydrophobicContact CG1-CB 4.45Å; V412-R449 HydrophobicContact CG2-CB 3.88Å; V412-R449 HydrophobicContact CG2-CG 3.96Å; V412-L451 HydrophobicContact CG1-CB 4.31Å; V412-L451 HydrophobicContact CG1-CD2 4.1Å
413	N	94.3	Very high	89.6	Confident	54 Å²	54	54.3 Å²	54.3	29%	0.289	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	137.8	173.6	-73.4	-1.8	0	0	0	111.3	E402	E402-N413 VanDerWaalsContact CD-ND2 3.27Å; E402-N413 PolarHBondContact OE1-ND2 2.72Å; E402-N413 WeakPolarHBondContact OE2-CB 3.45Å; E402-N413 PolarHBondContact OE2-ND2 2.76Å
414	M	95.2	Very high	89.4	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.034	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	93.8	-179.4	-66.4	173.5	-70.4	0	0	109.6	E402 V403 L405 V428 V437 L439 R449	E402-M414 WeakPolarHBondContact CA-O 3.34Å; V403-M414 HydrophobicContact CB-CE 4.41Å; V403-M414 HydrophobicContact CG1-CE 4.22Å; V403-M414 PolarHBondContact N-O 2.86Å; V403-M414 VanDerWaalsContact N-O 3.08Å; V403-M414 PolarHBondContact O-N 3.32Å; L405-M414 HydrophobicContact CB-CE 4.18Å; M414-V428 HydrophobicContact CE-CG1 4.37Å; M414-V437 HydrophobicContact CE-CG1 4.01Å; M414-V437 HydrophobicContact SD-CG1 3.59Å; M414-V437 VanDerWaalsContact SD-CG1 3.59Å; M414-L439 HydrophobicContact CB-CB 4.31Å; M414-L439 HydrophobicContact CB-CD2 3.72Å; M414-L439 HydrophobicContact CE-CB 4.17Å; M414-L439 HydrophobicContact SD-CB 3.62Å; M414-R449 HydrophobicContact CG-CG 3.94Å
415	P	92.3	Very high	89.2	Confident	90 Å²	90	54.7 Å²	54.7	58%	0.584	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	147.2	-178.1	28.9	-34.6	0	0	0	111.9	R401	R401-P415 CarbonylContact O-C 3.59Å; R401-P415 VanDerWaalsContact O-CA 3.3Å; R401-P415 WeakPolarHBondContact O-CA 3.46Å
416	H	91.1	Very high	89.1	Confident	34 Å²	34	55.2 Å²	55.2	16%	0.157	30%	0.302	C	S	.	.			trans	-145.8	153.2	-179.3	69.9	74.9	0	0	0	114.7	R401 F418 Y426 I441	R401-H416 PolarHBondContact O-N 3.38Å; H416-F418 HydrophobicContact CB-CD2 4.26Å; H416-F418 PolarHBondContact ND1-N 2.81Å; H416-Y426 AromaticContact NE2-CE1 3.98Å; H416-I441 HydrophobicContact CB-CD1 3.62Å; H416-I441 WeakPolarHBondContact CD2-CD1 3.39Å
417	G	84.8	Confident	89.2	Confident	78 Å²	78	53.1 Å²	53.1	80%	0.804	29%	0.294	S	S	*	.			trans	-90.7	-1.3	179.7	0	0	0	0	0	115.8	N419	G417-N419 PolarHBondContact O-N 3.04Å
418	F	83	Confident	89.3	Confident	73 Å²	73	53.1 Å²	53.1	32%	0.32	29%	0.294	S	S	.	.			trans	-65.6	130.5	-177.5	-69.8	-85.2	0	0	0	112.1	R401 H416 I441 K444	R401-F418 WeakPolarHBondContact CD-O 3.43Å; R401-F418 PolarHBondContact NH1-O 2.84Å; H416-F418 HydrophobicContact CB-CD2 4.26Å; H416-F418 PolarHBondContact ND1-N 2.81Å; F418-I441 HydrophobicContact CB-CG2 4.07Å; F418-I441 HydrophobicContact CD1-CG2 4.09Å; F418-I441 HydrophobicContact CD2-CB 3.74Å; F418-I441 HydrophobicContact CD2-CD1 3.67Å; F418-I441 HydrophobicContact CD2-CG1 4.3Å; F418-I441 HydrophobicContact CD2-CG2 3.67Å; F418-I441 HydrophobicContact CE1-CG2 4.47Å; F418-I441 HydrophobicContact CE2-CB 3.78Å; F418-I441 HydrophobicContact CE2-CD1 4.24Å; F418-I441 HydrophobicContact CE2-CG2 4.1Å; F418-I441 HydrophobicContact CG-CB 4.26Å; F418-I441 HydrophobicContact CG-CD1 4.47Å; F418-I441 HydrophobicContact CG-CG2 3.66Å; F418-I441 HydrophobicContact CZ-CB 4.33Å; F418-I441 HydrophobicContact CZ-CG2 4.48Å; F418-K444 HydrophobicContact CE1-CD 4.15Å; F418-K444 HydrophobicContact CZ-CB 4.09Å; F418-K444 HydrophobicContact CZ-CD 3.85Å
419	N	76.2	Confident	89.6	Confident	116 Å²	116	53 Å²	53	62%	0.62	29%	0.292	S	S	*	.			trans	-126.1	116.6	176.4	-165.3	13.6	0	0	0	110.3	R401 G417	R401-N419 VanDerWaalsContact CZ-OD1 3.25Å; R401-N419 PolarHBondContact NH1-OD1 2.69Å; R401-N419 VanDerWaalsContact NH1-OD1 3.08Å; R401-N419 PolarHBondContact NH2-OD1 3.01Å; G417-N419 PolarHBondContact O-N 3.04Å
420	T	69.9	Low	90	Very high	53 Å²	53	49.4 Å²	49.4	33%	0.325	27%	0.273	S	S	.	.			trans	-149.9	147.2	171	179.7	0	0	0	0	109.6	D422 T424	T420-D422 VanDerWaalsContact C-N 3.3Å; T420-D422 WeakPolarHBondContact CG2-O 3.04Å; T420-D422 WeakPolarHBondContact OG1-CB 3.03Å; T420-D422 PolarHBondContact OG1-N 2.87Å; T420-T424 WeakPolarHBondContact CG2-OG1 3.09Å
421	Q	72.5	Confident	90.2	Very high	195 Å²	195	47.1 Å²	47.1	91%	0.911	26%	0.263	S	S	*	.	S	Bend	trans	-96.3	7	168.5	-66.2	-172.4	-9.1	0	0	111.3	L369	L369-Q421 WeakPolarHBondContact CD1-O 3.33Å
422	D	85.4	Confident	90.3	Very high	87 Å²	87	42.4 Å²	42.4	47%	0.465	24%	0.243	S	C	.	.	S	Bend	trans	-116.2	177.8	-175.7	-153.7	-9.4	0	0	0	110.5	T420 T424	T420-D422 VanDerWaalsContact C-N 3.3Å; T420-D422 WeakPolarHBondContact CG2-O 3.04Å; T420-D422 WeakPolarHBondContact OG1-CB 3.03Å; T420-D422 PolarHBondContact OG1-N 2.87Å; D422-T424 PolarHBondContact O-N 2.95Å; D422-T424 PolarHBondContact O-OG1 3.11Å
423	W	90.4	Very high	90.2	Very high	20 Å²	20	49.8 Å²	49.8	8%	0.076	28%	0.276	C	S	.	.			trans	-49.9	132.6	178	-72.5	96.7	0	0	0	112.2	V338 H367 L369 K484 T486 R537	V338-W423 HydrophobicContact CG1-CH2 3.8Å; V338-W423 HydrophobicContact CG1-CZ2 4.19Å; H367-W423 HydrophobicContact CB-CE3 3.84Å; H367-W423 HydrophobicContact CB-CZ3 4.13Å; H367-W423 WeakPolarHBondContact O-CZ3 3.28Å; L369-W423 HydrophobicContact CB-CD2 3.91Å; L369-W423 HydrophobicContact CB-CE3 3.92Å; L369-W423 HydrophobicContact CB-CG 4.48Å; L369-W423 HydrophobicContact CB-CH2 4.35Å; L369-W423 HydrophobicContact CB-CZ2 4.32Å; L369-W423 HydrophobicContact CB-CZ3 4.14Å; W423-K484 HydrophobicContact CH2-CB 3.54Å; W423-K484 HydrophobicContact CZ2-CB 3.94Å; W423-K484 HydrophobicContact CZ2-CD 4.42Å; W423-K484 HydrophobicContact CZ3-CB 4.33Å; W423-T486 HydrophobicContact CE3-CG2 4.35Å; W423-T486 HydrophobicContact CH2-CG2 3.77Å; W423-T486 HydrophobicContact CZ3-CG2 3.68Å; W423-R537 HydrophobicContact CB-CB 4.47Å; W423-R537 HydrophobicContact CD2-CB 3.76Å; W423-R537 HydrophobicContact CE3-CB 4.21Å; W423-R537 HydrophobicContact CG-CB 3.9Å; W423-R537 HydrophobicContact CZ2-CB 4.47Å
424	T	91.6	Very high	90.2	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.4	175.9	-53.9	0	0	0	0	109.6	H367 V368 T420 D422 Y426 I441	H367-T424 WeakPolarHBondContact CA-O 3.39Å; V368-T424 PolarHBondContact N-O 3.39Å; V368-T424 PolarHBondContact O-N 3.11Å; T420-T424 WeakPolarHBondContact CG2-OG1 3.09Å; D422-T424 PolarHBondContact O-N 2.95Å; D422-T424 PolarHBondContact O-OG1 3.11Å; T424-Y426 HydrophobicContact CG2-CD2 3.89Å; T424-Y426 HydrophobicContact CG2-CE1 4.26Å; T424-Y426 HydrophobicContact CG2-CE2 3.32Å; T424-I441 HydrophobicContact CG2-CG2 3.73Å
425	N	93.3	Very high	90.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.011	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.5	169.8	176.7	-106.5	0	0	0	109.8	M366 H367 I441 N442 V504	M366-N425 WeakPolarHBondContact O-CA 3.45Å; M366-N425 PolarHBondContact O-ND2 3.49Å; H367-N425 PolarHBondContact CE1-ND2 3.18Å; N425-I441 WeakPolarHBondContact O-CA 3.36Å; N425-N442 PolarHBondContact N-OD1 2.96Å; N425-N442 PolarHBondContact O-N 2.89Å; N425-V504 HydrophobicContact CB-CG2 4.47Å; N425-V504 WeakPolarHBondContact OD1-CG2 3.27Å
426	Y	95.7	Very high	90.4	Very high	10 Å²	10	45.9 Å²	45.9	4%	0.039	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132	171.3	-66.9	-89.9	0	0	0	108.7	C365 M366 V368 I394 V403 H416 T424 L439 W440 I441	C365-Y426 CarbonylContact C-O 3.53Å; C365-Y426 VanDerWaalsContact CA-O 3.28Å; C365-Y426 WeakPolarHBondContact CA-O 2.9Å; M366-Y426 PolarHBondContact N-O 3.37Å; M366-Y426 PolarHBondContact O-N 2.66Å; V368-Y426 HydrophobicContact CG2-CD2 3.54Å; V368-Y426 HydrophobicContact CG2-CE2 3.35Å; I394-Y426 HydrophobicContact CD1-CD1 4.49Å; I394-Y426 HydrophobicContact CD1-CD2 3.77Å; I394-Y426 HydrophobicContact CD1-CE1 4.44Å; I394-Y426 HydrophobicContact CD1-CE2 3.7Å; I394-Y426 HydrophobicContact CD1-CG 4.17Å; V403-Y426 HydrophobicContact CG2-CD1 3.76Å; V403-Y426 HydrophobicContact CG2-CE1 3.67Å; H416-Y426 AromaticContact NE2-CE1 3.98Å; T424-Y426 HydrophobicContact CG2-CD2 3.89Å; T424-Y426 HydrophobicContact CG2-CE1 4.26Å; T424-Y426 HydrophobicContact CG2-CE2 3.32Å; Y426-L439 HydrophobicContact CD1-CD1 4.3Å; Y426-W440 WeakPolarHBondContact CA-O 3.31Å; Y426-I441 HydrophobicContact CD1-CD1 4.33Å; Y426-I441 HydrophobicContact CD1-CG1 3.86Å; Y426-I441 HydrophobicContact CE1-CD1 3.95Å; Y426-I441 HydrophobicContact CE1-CG1 3.93Å
427	C	96.8	Very high	90.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.3	164.6	-62.5	0	0	0	0	110.3	V364 C365 W440 I500	V364-C427 CarbonylContact O-C 3.55Å; V364-C427 WeakPolarHBondContact O-CA 3.47Å; C365-C427 HydrophobicContact CB-CB 4.15Å; C365-C427 WeakPolarHBondContact CB-SG 3.48Å; C365-C427 WeakPolarHBondContact SG-CB 3.3Å; C365-C427 CovalentContact SG-SG 2.04Å; C365-C427 PolarHBondContact SG-SG 2.89Å; C427-W440 HydrophobicContact CB-CB 4.11Å; C427-W440 PolarHBondContact N-O 2.93Å; C427-W440 PolarHBondContact O-N 3.25Å; C427-I500 HydrophobicContact CB-CG2 4.14Å
428	V	98.2	Very high	91.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.6	176.6	-178.2	0	0	0	0	108.6	T363 V364 I392 V403 L405 M414 V437 D438 L439	T363-V428 CarbonylContact C-O 3.49Å; T363-V428 WeakPolarHBondContact CA-O 3.29Å; V364-V428 PolarHBondContact N-O 2.86Å; V364-V428 PolarHBondContact O-N 3.05Å; I392-V428 HydrophobicContact CD1-CB 4.08Å; I392-V428 HydrophobicContact CD1-CG2 4.18Å; I392-V428 HydrophobicContact CG2-CG2 4.4Å; V403-V428 HydrophobicContact CG1-CG2 4.2Å; L405-V428 HydrophobicContact CD1-CG1 4.26Å; L405-V428 HydrophobicContact CD2-CG1 3.94Å; M414-V428 HydrophobicContact CE-CG1 4.37Å; V428-V437 HydrophobicContact CG1-CG1 4.31Å; V428-D438 WeakPolarHBondContact CA-O 3.41Å; V428-L439 HydrophobicContact CG2-CD1 3.95Å
429	T	98	Very high	92	Very high	4 Å²	4	39.1 Å²	39.1	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.6	175.6	64.1	0	0	0	0	110.7	F362 T363 V437 D438 V494 I500	F362-T429 WeakPolarHBondContact O-CA 3.5Å; T363-T429 HydrophobicContact CG2-CG2 3.87Å; T429-V437 VanDerWaalsContact O-CA 3.27Å; T429-V437 WeakPolarHBondContact O-CA 3.32Å; T429-D438 PolarHBondContact N-O 3.1Å; T429-D438 PolarHBondContact O-N 2.74Å; T429-D438 VanDerWaalsContact O-N 3.15Å; T429-D438 WeakPolarHBondContact OG1-CB 3.45Å; T429-V494 HydrophobicContact CG2-CG1 4.07Å; T429-I500 HydrophobicContact CG2-CD1 4.1Å
430	W	98.4	Very high	92.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	147.6	172.5	170.9	85.6	0	0	0	110.9	A361 F362 L405 I407 G436 V437 L451 Q452 H455 I457	A361-W430 CarbonylContact C-O 3.56Å; A361-W430 VanDerWaalsContact CA-O 3.22Å; A361-W430 WeakPolarHBondContact CA-O 3.09Å; A361-W430 WeakPolarHBondContact CB-O 3.46Å; F362-W430 HydrophobicContact CD1-CB 4.16Å; F362-W430 HydrophobicContact CD1-CD2 4.41Å; F362-W430 AromaticContact CD1-CE3 3.65Å; F362-W430 HydrophobicContact CD1-CE3 3.65Å; F362-W430 HydrophobicContact CD1-CZ3 4.41Å; F362-W430 HydrophobicContact CE1-CB 3.59Å; F362-W430 AromaticContact CE1-CD2 4Å; F362-W430 HydrophobicContact CE1-CD2 4Å; F362-W430 AromaticContact CE1-CE3 3.65Å; F362-W430 HydrophobicContact CE1-CE3 3.65Å; F362-W430 HydrophobicContact CE1-CG 4.03Å; F362-W430 HydrophobicContact CE2-CB 4.24Å; F362-W430 HydrophobicContact CZ-CB 3.63Å; F362-W430 HydrophobicContact CZ-CG 4.42Å; F362-W430 PolarHBondContact N-O 2.85Å; F362-W430 PolarHBondContact O-N 2.74Å; L405-W430 HydrophobicContact CD2-CB 4.46Å; I407-W430 HydrophobicContact CG2-CZ2 4.15Å; W430-G436 WeakPolarHBondContact CA-O 3.16Å; W430-V437 HydrophobicContact CB-CG2 4.42Å; W430-V437 HydrophobicContact CG-CG2 4.44Å; W430-L451 PolarHBondContact NE1-O 3.36Å; W430-Q452 HydrophobicContact CZ2-CB 4.47Å; W430-Q452 WeakPolarHBondContact CZ2-O 3.36Å; W430-H455 HydrophobicContact CH2-CB 4.34Å; W430-H455 WeakPolarHBondContact CH2-O 3.44Å; W430-H455 HydrophobicContact CZ2-CB 4.11Å; W430-I457 HydrophobicContact CE3-CD1 4.34Å; W430-I457 HydrophobicContact CH2-CD1 4.36Å; W430-I457 HydrophobicContact CH2-CG1 4.49Å; W430-I457 HydrophobicContact CZ3-CD1 3.94Å; W430-I457 HydrophobicContact CZ3-CG1 4.42Å
431	S	97	Very high	94.1	Very high	30 Å²	30	32.4 Å²	32.4	21%	0.21	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	118.4	176.9	158.1	0	0	0	0	110.8	H433 S434 G435 G436	S431-H433 PolarHBondContact O-N 3.26Å; S431-S434 PolarHBondContact O-N 3.5Å; S431-G435 VanDerWaalsContact O-CA 3.27Å; S431-G435 WeakPolarHBondContact O-CA 3.42Å; S431-G435 PolarHBondContact O-N 3.12Å; S431-G436 PolarHBondContact N-O 3.4Å
432	S	96.4	Very high	95	Very high	8 Å²	8	26 Å²	26	6%	0.056	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-38.6	177.9	-177.9	0	0	0	0	113	D360 S434 G435 S453 S454 H455	D360-S432 WeakPolarHBondContact O-CB 3.1Å; D360-S432 PolarHBondContact O-N 2.04Å; S432-S434 VanDerWaalsContact C-N 3.3Å; S432-S434 PolarHBondContact O-N 3.24Å; S432-G435 PolarHBondContact O-N 2.88Å; S432-S453 CarbonylContact O-C 3.45Å; S432-S453 WeakPolarHBondContact O-CA 3.48Å; S432-S454 PolarHBondContact O-N 2.88Å; S432-S454 VanDerWaalsContact OG-C 3.28Å; S432-S454 VanDerWaalsContact OG-CA 3.22Å; S432-S454 WeakPolarHBondContact OG-CA 3.34Å; S432-S454 PolarHBondContact OG-N 2.94Å; S432-H455 WeakPolarHBondContact CB-O 3.38Å; S432-H455 PolarHBondContact OG-N 2.74Å; S432-H455 PolarHBondContact OG-O 2.86Å
433	H	93.6	Very high	95.1	Very high	176 Å²	176	22.3 Å²	22.3	82%	0.815	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.2	-175.3	178.6	-118.2	0	0	0	114	S431	S431-H433 PolarHBondContact O-N 3.26Å
434	S	94.7	Very high	95	Very high	63 Å²	63	27.9 Å²	27.9	44%	0.441	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-15.3	178.8	57.6	0	0	0	0	113.4	S431 S432 G436	S431-S434 PolarHBondContact O-N 3.5Å; S432-S434 VanDerWaalsContact C-N 3.3Å; S432-S434 PolarHBondContact O-N 3.24Å; S434-G436 PolarHBondContact O-N 2.87Å; S434-G436 PolarHBondContact OG-N 3.1Å
435	G	94.9	Very high	95.1	Very high	1 Å²	1	31 Å²	31	1%	0.01	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	7	-162.5	0	0	0	0	0	113.4	S431 S432 V437 H450 L451	S431-G435 VanDerWaalsContact O-CA 3.27Å; S431-G435 WeakPolarHBondContact O-CA 3.42Å; S431-G435 PolarHBondContact O-N 3.12Å; S432-G435 PolarHBondContact O-N 2.88Å; G435-V437 PolarHBondContact O-N 3.22Å; G435-H450 CarbonylContact O-C 3.44Å; G435-H450 WeakPolarHBondContact O-CA 3.38Å; G435-L451 WeakPolarHBondContact CA-O 3.32Å; G435-L451 PolarHBondContact O-N 3.32Å
436	G	96.3	Very high	95.1	Very high	5 Å²	5	33.1 Å²	33.1	5%	0.052	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.9	-173.7	0	0	0	0	0	112.2	W430 S431 S434	W430-G436 WeakPolarHBondContact CA-O 3.16Å; S431-G436 PolarHBondContact N-O 3.4Å; S434-G436 PolarHBondContact O-N 2.87Å; S434-G436 PolarHBondContact OG-N 3.1Å
437	V	97.9	Very high	94.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.8	177.7	-179.5	0	0	0	0	109.6	L405 M414 V428 T429 W430 G435 Q448 R449 L451	L405-V437 HydrophobicContact CD2-CB 4.46Å; L405-V437 HydrophobicContact CD2-CG1 3.66Å; L405-V437 HydrophobicContact CD2-CG2 3.84Å; M414-V437 HydrophobicContact CE-CG1 4.01Å; M414-V437 HydrophobicContact SD-CG1 3.59Å; M414-V437 VanDerWaalsContact SD-CG1 3.59Å; V428-V437 HydrophobicContact CG1-CG1 4.31Å; T429-V437 VanDerWaalsContact O-CA 3.27Å; T429-V437 WeakPolarHBondContact O-CA 3.32Å; W430-V437 HydrophobicContact CB-CG2 4.42Å; W430-V437 HydrophobicContact CG-CG2 4.44Å; G435-V437 PolarHBondContact O-N 3.22Å; V437-Q448 WeakPolarHBondContact O-CA 3.24Å; V437-R449 HydrophobicContact CB-CB 4.28Å; V437-R449 PolarHBondContact N-O 3.3Å; V437-R449 PolarHBondContact O-N 2.89Å; V437-L451 HydrophobicContact CG2-CB 3.9Å
438	D	96.9	Very high	94.7	Very high	35 Å²	35	43.5 Å²	43.5	19%	0.187	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.5	174.1	-63.6	-61.6	0	0	0	110.8	V428 T429 V445 Q448	V428-D438 WeakPolarHBondContact CA-O 3.41Å; T429-D438 PolarHBondContact N-O 3.1Å; T429-D438 PolarHBondContact O-N 2.74Å; T429-D438 VanDerWaalsContact O-N 3.15Å; T429-D438 WeakPolarHBondContact OG1-CB 3.45Å; D438-V445 HydrophobicContact CB-CG2 4.22Å; D438-Q448 WeakPolarHBondContact OD1-CA 3.47Å; D438-Q448 VanDerWaalsContact OD1-CB 3.26Å; D438-Q448 WeakPolarHBondContact OD1-CB 3.47Å; D438-Q448 VanDerWaalsContact OD1-CG 3.3Å; D438-Q448 WeakPolarHBondContact OD1-CG 3.38Å
439	L	97.4	Very high	94.6	Very high	8 Å²	8	47 Å²	47	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	128.9	171.9	173.5	64.8	0	0	0	109.8	V403 M414 Y426 V428 I441 V445 G446	V403-L439 HydrophobicContact CB-CD1 4.14Å; V403-L439 HydrophobicContact CB-CD2 3.91Å; V403-L439 HydrophobicContact CG1-CD1 4.2Å; V403-L439 HydrophobicContact CG2-CD1 3.96Å; V403-L439 HydrophobicContact CG2-CD2 3.82Å; M414-L439 HydrophobicContact CB-CB 4.31Å; M414-L439 HydrophobicContact CB-CD2 3.72Å; M414-L439 HydrophobicContact CE-CB 4.17Å; M414-L439 HydrophobicContact SD-CB 3.62Å; Y426-L439 HydrophobicContact CD1-CD1 4.3Å; V428-L439 HydrophobicContact CG2-CD1 3.95Å; L439-I441 HydrophobicContact CD1-CG1 4.21Å; L439-I441 HydrophobicContact CD2-CD1 3.95Å; L439-I441 HydrophobicContact CD2-CG1 4.29Å; L439-I441 HydrophobicContact CG-CD1 4.29Å; L439-I441 HydrophobicContact CG-CG1 4.07Å; L439-V445 CarbonylContact O-C 3.52Å; L439-G446 PolarHBondContact O-N 3.35Å
440	W	96.4	Very high	94.5	Very high	24 Å²	24	52.8 Å²	52.8	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	128.9	172.5	-60.4	74.7	0	0	0	109.8	Y426 C427 K444 V445 T497 I500	Y426-W440 WeakPolarHBondContact CA-O 3.31Å; C427-W440 HydrophobicContact CB-CB 4.11Å; C427-W440 PolarHBondContact N-O 2.93Å; C427-W440 PolarHBondContact O-N 3.25Å; W440-K444 CarbonylContact C-O 3.49Å; W440-K444 VanDerWaalsContact CA-O 3.29Å; W440-K444 WeakPolarHBondContact CA-O 3.4Å; W440-V445 HydrophobicContact CD2-CB 3.71Å; W440-V445 HydrophobicContact CD2-CG2 4.05Å; W440-V445 HydrophobicContact CE3-CB 3.7Å; W440-V445 HydrophobicContact CG-CB 4.49Å; W440-V445 HydrophobicContact CH2-CB 3.62Å; W440-V445 HydrophobicContact CH2-CG1 4.11Å; W440-V445 HydrophobicContact CH2-CG2 4.2Å; W440-V445 HydrophobicContact CZ2-CB 3.63Å; W440-V445 HydrophobicContact CZ2-CG1 4.43Å; W440-V445 HydrophobicContact CZ2-CG2 3.69Å; W440-V445 HydrophobicContact CZ3-CB 3.66Å; W440-V445 HydrophobicContact CZ3-CG1 4.27Å; W440-T497 HydrophobicContact CH2-CG2 3.57Å; W440-T497 HydrophobicContact CZ3-CG2 3.83Å; W440-I500 HydrophobicContact CB-CG2 3.93Å; W440-I500 HydrophobicContact CD2-CD1 4.12Å; W440-I500 HydrophobicContact CD2-CG2 3.9Å; W440-I500 HydrophobicContact CE3-CG2 4.07Å; W440-I500 HydrophobicContact CG-CD1 4.15Å; W440-I500 HydrophobicContact CG-CG2 3.85Å; W440-I500 HydrophobicContact CZ2-CD1 4.36Å
441	I	94.6	Very high	94.3	Very high	4 Å²	4	53.1 Å²	53.1	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.1	175.2	-60.1	171.5	0	0	0	108.2	H416 F418 T424 N425 Y426 L439 G443 K444	H416-I441 HydrophobicContact CB-CD1 3.62Å; H416-I441 WeakPolarHBondContact CD2-CD1 3.39Å; F418-I441 HydrophobicContact CB-CG2 4.07Å; F418-I441 HydrophobicContact CD1-CG2 4.09Å; F418-I441 HydrophobicContact CD2-CB 3.74Å; F418-I441 HydrophobicContact CD2-CD1 3.67Å; F418-I441 HydrophobicContact CD2-CG1 4.3Å; F418-I441 HydrophobicContact CD2-CG2 3.67Å; F418-I441 HydrophobicContact CE1-CG2 4.47Å; F418-I441 HydrophobicContact CE2-CB 3.78Å; F418-I441 HydrophobicContact CE2-CD1 4.24Å; F418-I441 HydrophobicContact CE2-CG2 4.1Å; F418-I441 HydrophobicContact CG-CB 4.26Å; F418-I441 HydrophobicContact CG-CD1 4.47Å; F418-I441 HydrophobicContact CG-CG2 3.66Å; F418-I441 HydrophobicContact CZ-CB 4.33Å; F418-I441 HydrophobicContact CZ-CG2 4.48Å; T424-I441 HydrophobicContact CG2-CG2 3.73Å; N425-I441 WeakPolarHBondContact O-CA 3.36Å; Y426-I441 HydrophobicContact CD1-CD1 4.33Å; Y426-I441 HydrophobicContact CD1-CG1 3.86Å; Y426-I441 HydrophobicContact CE1-CD1 3.95Å; Y426-I441 HydrophobicContact CE1-CG1 3.93Å; L439-I441 HydrophobicContact CD1-CG1 4.21Å; L439-I441 HydrophobicContact CD2-CD1 3.95Å; L439-I441 HydrophobicContact CD2-CG1 4.29Å; L439-I441 HydrophobicContact CG-CD1 4.29Å; L439-I441 HydrophobicContact CG-CG1 4.07Å; I441-G443 PolarHBondContact O-N 2.91Å; I441-K444 PolarHBondContact N-O 3.2Å; I441-K444 PolarHBondContact O-N 3.12Å
442	N	90.9	Very high	94.2	Very high	62 Å²	62	54.4 Å²	54.4	33%	0.332	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	43.7	-176.3	-61.7	-24.2	0	0	0	112.1	N425 K444	N425-N442 PolarHBondContact N-OD1 2.96Å; N425-N442 PolarHBondContact O-N 2.89Å; N442-K444 VanDerWaalsContact C-N 3.31Å; N442-K444 PolarHBondContact O-N 2.85Å
443	G	87.6	Confident	94	Very high	9 Å²	9	57.6 Å²	57.6	9%	0.093	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	8.4	177.3	0	0	0	0	0	115.9	I441	I441-G443 PolarHBondContact O-N 2.91Å
444	K	89.4	Confident	93.9	Very high	136 Å²	136	54 Å²	54	59%	0.591	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.6	175.1	-65.6	178.3	179.4	177.7	0	110.7	F418 W440 I441 N442	F418-K444 HydrophobicContact CE1-CD 4.15Å; F418-K444 HydrophobicContact CZ-CB 4.09Å; F418-K444 HydrophobicContact CZ-CD 3.85Å; W440-K444 CarbonylContact C-O 3.49Å; W440-K444 VanDerWaalsContact CA-O 3.29Å; W440-K444 WeakPolarHBondContact CA-O 3.4Å; I441-K444 PolarHBondContact N-O 3.2Å; I441-K444 PolarHBondContact O-N 3.12Å; N442-K444 VanDerWaalsContact C-N 3.31Å; N442-K444 PolarHBondContact O-N 2.85Å
445	V	93.4	Very high	93.9	Very high	75 Å²	75	52.5 Å²	52.5	46%	0.455	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	141.2	178.3	68.3	0	0	0	0	111.9	D438 L439 W440	D438-V445 HydrophobicContact CB-CG2 4.22Å; L439-V445 CarbonylContact O-C 3.52Å; W440-V445 HydrophobicContact CD2-CB 3.71Å; W440-V445 HydrophobicContact CD2-CG2 4.05Å; W440-V445 HydrophobicContact CE3-CB 3.7Å; W440-V445 HydrophobicContact CG-CB 4.49Å; W440-V445 HydrophobicContact CH2-CB 3.62Å; W440-V445 HydrophobicContact CH2-CG1 4.11Å; W440-V445 HydrophobicContact CH2-CG2 4.2Å; W440-V445 HydrophobicContact CZ2-CB 3.63Å; W440-V445 HydrophobicContact CZ2-CG1 4.43Å; W440-V445 HydrophobicContact CZ2-CG2 3.69Å; W440-V445 HydrophobicContact CZ3-CB 3.66Å; W440-V445 HydrophobicContact CZ3-CG1 4.27Å
446	G	91.6	Very high	93.8	Very high	45 Å²	45	56.4 Å²	56.4	46%	0.464	30%	0.302	S	S	.	.			trans	-87.3	-163.1	171.6	0	0	0	0	0	113.5	L439	L439-G446 PolarHBondContact O-N 3.35Å
447	E	91.9	Very high	93.7	Very high	133 Å²	133	56.2 Å²	56.2	62%	0.621	30%	0.3	S	S	*	.			trans	-77.4	130.4	171.8	-170.8	-166.9	166.5	0	0	109.8	R449	E447-R449 IonicContact OE1-CZ 2.83Å; E447-R449 IonicContact OE1-NH1 3.6Å; E447-R449 PolarHBondContact OE1-NH1 3.16Å; E447-R449 IonicContact OE1-NH2 3.74Å; E447-R449 IonicContact OE2-CZ 3.38Å; E447-R449 IonicContact OE2-NH1 3.98Å; E447-R449 PolarHBondContact OE2-NH1 2.91Å; E447-R449 IonicContact OE2-NH2 3.37Å; E447-R449 PolarHBondContact OE2-NH2 3.38Å
448	Q	93.2	Very high	93.3	Very high	96 Å²	96	60.8 Å²	60.8	45%	0.449	32%	0.324	S	S	.	.			trans	-64.7	135.7	177.6	-172	168.7	36.9	0	0	111.3	V437 D438	V437-Q448 WeakPolarHBondContact O-CA 3.24Å; D438-Q448 WeakPolarHBondContact OD1-CA 3.47Å; D438-Q448 VanDerWaalsContact OD1-CB 3.26Å; D438-Q448 WeakPolarHBondContact OD1-CB 3.47Å; D438-Q448 VanDerWaalsContact OD1-CG 3.3Å; D438-Q448 WeakPolarHBondContact OD1-CG 3.38Å
449	R	95.9	Very high	92.8	Very high	72 Å²	72	59.1 Å²	59.1	27%	0.272	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	174.3	172.5	-66.6	-64.1	-175.7	-136	-13.4	110.4	V412 M414 V437 E447	V412-R449 HydrophobicContact CG1-CB 4.45Å; V412-R449 HydrophobicContact CG2-CB 3.88Å; V412-R449 HydrophobicContact CG2-CG 3.96Å; M414-R449 HydrophobicContact CG-CG 3.94Å; V437-R449 HydrophobicContact CB-CB 4.28Å; V437-R449 PolarHBondContact N-O 3.3Å; V437-R449 PolarHBondContact O-N 2.89Å; E447-R449 IonicContact OE1-CZ 2.83Å; E447-R449 IonicContact OE1-NH1 3.6Å; E447-R449 PolarHBondContact OE1-NH1 3.16Å; E447-R449 IonicContact OE1-NH2 3.74Å; E447-R449 IonicContact OE2-CZ 3.38Å; E447-R449 IonicContact OE2-NH1 3.98Å; E447-R449 PolarHBondContact OE2-NH1 2.91Å; E447-R449 IonicContact OE2-NH2 3.37Å; E447-R449 PolarHBondContact OE2-NH2 3.38Å
450	H	95.6	Very high	91.9	Very high	126 Å²	126	60.8 Å²	60.8	58%	0.583	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.3	135.8	177.2	-62.4	77.7	0	0	0	109.8	G435	G435-H450 CarbonylContact O-C 3.44Å; G435-H450 WeakPolarHBondContact O-CA 3.38Å
451	L	95.1	Very high	91.3	Very high	8 Å²	8	61.8 Å²	61.8	4%	0.042	35%	0.348	C	S	.	.			trans	-151.9	134.4	-179.7	-176	64.7	0	0	0	109.6	L405 I407 D410 V412 W430 G435 V437 S453	L405-L451 HydrophobicContact CD2-CD2 4.23Å; L405-L451 HydrophobicContact CG-CD2 4.18Å; I407-L451 HydrophobicContact CB-CD2 3.96Å; I407-L451 HydrophobicContact CB-CG 4.38Å; I407-L451 HydrophobicContact CG1-CD2 3.74Å; D410-L451 HydrophobicContact CB-CD1 3.94Å; V412-L451 HydrophobicContact CG1-CB 4.31Å; V412-L451 HydrophobicContact CG1-CD2 4.1Å; W430-L451 PolarHBondContact NE1-O 3.36Å; G435-L451 WeakPolarHBondContact CA-O 3.32Å; G435-L451 PolarHBondContact O-N 3.32Å; V437-L451 HydrophobicContact CG2-CB 3.9Å; L451-S453 PolarHBondContact O-N 2.99Å
452	Q	93.8	Very high	91	Very high	56 Å²	56	62.8 Å²	62.8	26%	0.262	35%	0.352	S	S	.	.			trans	47.6	60.4	168	-69.2	-71.9	6.6	0	0	116.1	I407 D410 W430 H455	I407-Q452 HydrophobicContact CB-CB 4.21Å; I407-Q452 HydrophobicContact CB-CG 4.03Å; I407-Q452 HydrophobicContact CG2-CB 3.86Å; I407-Q452 HydrophobicContact CG2-CG 4Å; I407-Q452 VanDerWaalsContact O-CG 3.3Å; I407-Q452 WeakPolarHBondContact O-CG 3.16Å; I407-Q452 PolarHBondContact O-NE2 2.94Å; D410-Q452 HydrophobicContact CB-CG 4.03Å; W430-Q452 HydrophobicContact CZ2-CB 4.47Å; W430-Q452 WeakPolarHBondContact CZ2-O 3.36Å; Q452-H455 HydrophobicContact CB-CB 3.87Å; Q452-H455 PolarHBondContact O-N 2.93Å
453	S	93.6	Very high	91.1	Very high	76 Å²	76	59.8 Å²	59.8	53%	0.531	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	139.3	171.6	64.8	0	0	0	0	111.3	S432 L451 H455	S432-S453 CarbonylContact O-C 3.45Å; S432-S453 WeakPolarHBondContact O-CA 3.48Å; L451-S453 PolarHBondContact O-N 2.99Å; S453-H455 PolarHBondContact O-N 3.47Å
454	S	91.6	Very high	91.3	Very high	100 Å²	100	59.6 Å²	59.6	70%	0.699	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	11.5	-178.8	-47.1	0	0	0	0	115.4	S432	S432-S454 PolarHBondContact O-N 2.88Å; S432-S454 VanDerWaalsContact OG-C 3.28Å; S432-S454 VanDerWaalsContact OG-CA 3.22Å; S432-S454 WeakPolarHBondContact OG-CA 3.34Å; S432-S454 PolarHBondContact OG-N 2.94Å
455	H	93.1	Very high	91.6	Very high	32 Å²	32	53.1 Å²	53.1	15%	0.148	31%	0.305	C	S	.	.			trans	-78.8	151.8	171.8	-170.3	68.8	0	0	0	111.2	E389 I407 W430 S432 Q452 S453	E389-H455 IonicContact OE1-CD2 2.91Å; E389-H455 IonicContact OE1-CE1 3.51Å; E389-H455 IonicContact OE1-NE2 2.76Å; E389-H455 PolarHBondContact OE1-NE2 3.22Å; I407-H455 VanDerWaalsContact CG2-CD2 3.42Å; I407-H455 WeakPolarHBondContact CG2-CD2 2.86Å; W430-H455 HydrophobicContact CH2-CB 4.34Å; W430-H455 WeakPolarHBondContact CH2-O 3.44Å; W430-H455 HydrophobicContact CZ2-CB 4.11Å; S432-H455 WeakPolarHBondContact CB-O 3.38Å; S432-H455 PolarHBondContact OG-N 2.74Å; S432-H455 PolarHBondContact OG-O 2.86Å; Q452-H455 HydrophobicContact CB-CB 3.87Å; Q452-H455 PolarHBondContact O-N 2.93Å; S453-H455 PolarHBondContact O-N 3.47Å
456	M	94	Very high	91.6	Very high	83 Å²	83	49.6 Å²	49.6	41%	0.409	28%	0.284	S	S	.	.			trans	-131.2	125	176.6	-65.3	-67.2	-60.7	0	0	108.8	T358 D360	T358-M456 HydrophobicContact CG2-CB 4.04Å; T358-M456 HydrophobicContact CG2-CE 3.43Å; T358-M456 VanDerWaalsContact CG2-CE 3.43Å; D360-M456 HydrophobicContact CB-CE 3.65Å; D360-M456 HydrophobicContact CB-SD 3.59Å; D360-M456 VanDerWaalsContact CB-SD 3.59Å
457	I	92.8	Very high	91.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.9	-177.4	-60.4	167.2	0	0	0	108.5	T358 L359 F362 Y381 E389 L390 I407 W430 L459	T358-I457 CarbonylContact C-O 3.52Å; T358-I457 VanDerWaalsContact CA-O 3.26Å; T358-I457 WeakPolarHBondContact CA-O 3.05Å; L359-I457 HydrophobicContact CB-CB 4.19Å; L359-I457 PolarHBondContact N-O 3.25Å; L359-I457 PolarHBondContact O-N 2.94Å; F362-I457 HydrophobicContact CD1-CD1 4.1Å; F362-I457 HydrophobicContact CE1-CD1 3.96Å; Y381-I457 HydrophobicContact CD1-CG2 4.5Å; Y381-I457 HydrophobicContact CE1-CG2 4.48Å; E389-I457 HydrophobicContact CG-CG2 3.82Å; L390-I457 HydrophobicContact CD1-CD1 4.18Å; I407-I457 HydrophobicContact CD1-CD1 3.77Å; I407-I457 HydrophobicContact CG2-CD1 4.23Å; I407-I457 HydrophobicContact CG2-CG1 4.37Å; W430-I457 HydrophobicContact CE3-CD1 4.34Å; W430-I457 HydrophobicContact CH2-CD1 4.36Å; W430-I457 HydrophobicContact CH2-CG1 4.49Å; W430-I457 HydrophobicContact CZ3-CD1 3.94Å; W430-I457 HydrophobicContact CZ3-CG1 4.42Å; I457-L459 HydrophobicContact CG2-CD2 3.67Å; I457-L459 HydrophobicContact CG2-CG 4.12Å
458	N	91	Very high	91.1	Very high	96 Å²	96	41.7 Å²	41.7	51%	0.513	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	102.2	176.1	-66.5	-64.2	0	0	0	109.8	T358 Y381	T358-N458 VanDerWaalsContact CG2-OD1 3.31Å; T358-N458 WeakPolarHBondContact CG2-OD1 3.47Å; T358-N458 PolarHBondContact OG1-OD1 2.84Å; Y381-N458 WeakPolarHBondContact CE1-O 3.32Å; Y381-N458 PolarHBondContact OH-O 3.29Å
459	L	85.1	Confident	90.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.5	178.1	-65.5	-174.1	0	0	0	111.3	L354 R356 M357 L359 Y381 I457 F463 V516	L354-L459 HydrophobicContact CD1-CB 4.39Å; L354-L459 HydrophobicContact CD1-CD2 4.34Å; R356-L459 VanDerWaalsContact CA-O 3.29Å; R356-L459 WeakPolarHBondContact CA-O 3.36Å; M357-L459 HydrophobicContact CG-CB 3.86Å; M357-L459 HydrophobicContact CG-CD1 4.1Å; M357-L459 HydrophobicContact CG-CG 4.41Å; M357-L459 PolarHBondContact N-O 3.44Å; M357-L459 PolarHBondContact O-N 3.49Å; M357-L459 HydrophobicContact SD-CD1 4.24Å; L359-L459 HydrophobicContact CD1-CD1 3.42Å; L359-L459 VanDerWaalsContact CD1-CD1 3.42Å; L359-L459 HydrophobicContact CD1-CG 3.96Å; L359-L459 HydrophobicContact CD2-CD1 4.2Å; L359-L459 HydrophobicContact CG-CD1 3.79Å; L359-L459 HydrophobicContact CG-CG 4.09Å; Y381-L459 HydrophobicContact CD1-CD2 3.44Å; Y381-L459 VanDerWaalsContact CD1-CD2 3.44Å; Y381-L459 HydrophobicContact CD2-CD2 4.39Å; Y381-L459 HydrophobicContact CE1-CD2 3.47Å; Y381-L459 VanDerWaalsContact CE1-CD2 3.47Å; Y381-L459 HydrophobicContact CE2-CD2 4.45Å; Y381-L459 HydrophobicContact CG-CD2 3.93Å; Y381-L459 WeakPolarHBondContact OH-CA 3.31Å; I457-L459 HydrophobicContact CG2-CD2 3.67Å; I457-L459 HydrophobicContact CG2-CG 4.12Å; L459-F463 HydrophobicContact CD1-CE2 4.46Å; L459-F463 HydrophobicContact CD1-CZ 3.98Å; L459-F463 HydrophobicContact CD2-CE1 4.27Å; L459-F463 HydrophobicContact CD2-CZ 4.1Å; L459-V516 HydrophobicContact CD1-CG1 3.65Å
460	A	79.3	Confident	88.6	Confident	42 Å²	42	38.2 Å²	38.2	35%	0.347	22%	0.224	S	C	.	.			trans	-154.9	168.9	169.7	0	0	0	0	0	109.1	Y381 E462	Y381-A460 WeakPolarHBondContact CE2-O 3.36Å; Y381-A460 PolarHBondContact OH-N 3.17Å; Y381-A460 PolarHBondContact OH-O 2.72Å; A460-E462 PolarHBondContact O-N 3.39Å
461	G	84.3	Confident	86.5	Confident	45 Å²	45	33.5 Å²	33.5	46%	0.464	21%	0.209	S	C	.	.	S	Bend	trans	73.1	-120.7	176.3	0	0	0	0	0	112.5	L354	L354-G461 WeakPolarHBondContact CB-O 3.36Å; L354-G461 PolarHBondContact N-O 3.21Å
462	E	87.4	Confident	83.6	Confident	25 Å²	25	39.6 Å²	39.6	12%	0.117	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.6	-171.6	-48.8	-172.2	128.1	0	0	111.3	L351 A352 A460 K525	L351-E462 WeakPolarHBondContact CB-OE2 3.14Å; L351-E462 WeakPolarHBondContact CD1-OE2 3.22Å; A352-E462 CarbonylContact O-C 3.54Å; A352-E462 VanDerWaalsContact O-CA 3.3Å; A352-E462 WeakPolarHBondContact O-CA 3.48Å; A460-E462 PolarHBondContact O-N 3.39Å; E462-K525 IonicContact OE1-NZ 3.85Å; E462-K525 PolarHBondContact OE1-NZ 3.18Å
463	F	92.6	Very high	81	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	143.9	159.9	-78.2	-60.9	0	0	0	109.4	L351 A352 L354 I379 Y381 L390 L459 V490 V516 L517	L351-F463 WeakPolarHBondContact CA-O 3.3Å; A352-F463 HydrophobicContact CB-CB 4.25Å; A352-F463 PolarHBondContact N-O 3.25Å; A352-F463 PolarHBondContact O-N 3.05Å; L354-F463 HydrophobicContact CD1-CD1 4.17Å; L354-F463 HydrophobicContact CD1-CD2 3.65Å; L354-F463 HydrophobicContact CD1-CE1 4.25Å; L354-F463 HydrophobicContact CD1-CE2 3.77Å; L354-F463 HydrophobicContact CD1-CG 3.84Å; L354-F463 HydrophobicContact CD1-CZ 4.05Å; L354-F463 HydrophobicContact CD2-CD2 3.34Å; L354-F463 HydrophobicContact CD2-CE2 3.23Å; L354-F463 HydrophobicContact CD2-CG 4.34Å; L354-F463 HydrophobicContact CD2-CZ 4.16Å; L354-F463 HydrophobicContact CG-CD2 3.77Å; L354-F463 HydrophobicContact CG-CE2 4.01Å; L354-F463 HydrophobicContact CG-CG 4.33Å; I379-F463 HydrophobicContact CD1-CB 4.19Å; I379-F463 HydrophobicContact CD1-CD1 3.75Å; I379-F463 HydrophobicContact CD1-CD2 4.12Å; I379-F463 HydrophobicContact CD1-CE1 4.14Å; I379-F463 HydrophobicContact CD1-CE2 4.45Å; I379-F463 HydrophobicContact CD1-CG 3.78Å; I379-F463 HydrophobicContact CD1-CZ 4.49Å; I379-F463 HydrophobicContact CG1-CB 4.24Å; I379-F463 HydrophobicContact CG1-CD1 3.81Å; I379-F463 HydrophobicContact CG1-CE1 4.43Å; I379-F463 HydrophobicContact CG1-CG 4.12Å; Y381-F463 HydrophobicContact CG-CD1 4.42Å; Y381-F463 HydrophobicContact CG-CE1 4.26Å; L390-F463 HydrophobicContact CD2-CE1 4.34Å; L459-F463 HydrophobicContact CD1-CE2 4.46Å; L459-F463 HydrophobicContact CD1-CZ 3.98Å; L459-F463 HydrophobicContact CD2-CE1 4.27Å; L459-F463 HydrophobicContact CD2-CZ 4.1Å; F463-V490 HydrophobicContact CE2-CB 4.48Å; F463-V490 HydrophobicContact CE2-CG1 4.4Å; F463-V490 HydrophobicContact CE2-CG2 4.19Å; F463-V490 HydrophobicContact CZ-CG1 4.38Å; F463-V516 HydrophobicContact CE2-CG1 3.99Å; F463-V516 HydrophobicContact CZ-CG1 4.49Å; F463-L517 HydrophobicContact CB-CD1 4.4Å; F463-L517 HydrophobicContact CD2-CB 4.47Å; F463-L517 HydrophobicContact CD2-CD1 3.71Å; F463-L517 HydrophobicContact CG-CD1 4.46Å
464	V	92.9	Very high	79	Confident	5 Å²	5	42 Å²	42	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	126.9	168.3	-176.1	0	0	0	0	108.8	Y349 L351 I379 S380 K467 Q469	Y349-V464 HydrophobicContact CD2-CG1 4.2Å; Y349-V464 HydrophobicContact CG-CG1 4.31Å; L351-V464 HydrophobicContact CD2-CB 4.34Å; L351-V464 HydrophobicContact CD2-CG1 4.35Å; L351-V464 HydrophobicContact CD2-CG2 3.65Å; I379-V464 CarbonylContact C-O 3.56Å; I379-V464 WeakPolarHBondContact CA-O 3.25Å; S380-V464 PolarHBondContact N-O 2.94Å; S380-V464 PolarHBondContact O-N 2.99Å; V464-K467 HydrophobicContact CG1-CB 4.09Å; V464-Q469 HydrophobicContact CB-CG 4.12Å; V464-Q469 HydrophobicContact CG2-CG 3.53Å
465	L	94.6	Very high	77.3	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	134.4	173.2	-60.4	-175.4	0	0	0	110.6	L339 Y349 A350 V378 I379 M485 V488 W519 F524	L339-L465 HydrophobicContact CD1-CD1 4.22Å; Y349-L465 WeakPolarHBondContact CA-O 3.49Å; A350-L465 HydrophobicContact CB-CB 4.26Å; A350-L465 PolarHBondContact N-O 3.43Å; A350-L465 PolarHBondContact O-N 3.32Å; V378-L465 WeakPolarHBondContact O-CA 3.49Å; I379-L465 HydrophobicContact CB-CD2 3.69Å; I379-L465 HydrophobicContact CD1-CD2 3.86Å; I379-L465 HydrophobicContact CG1-CD2 3.67Å; L465-M485 HydrophobicContact CB-SD 4.03Å; L465-M485 HydrophobicContact CD1-SD 4.34Å; L465-V488 HydrophobicContact CD1-CB 4.45Å; L465-V488 HydrophobicContact CD1-CG2 4.29Å; L465-V488 HydrophobicContact CD2-CG1 4Å; L465-W519 HydrophobicContact CD1-CZ3 4.01Å; L465-F524 HydrophobicContact CD1-CD1 4.12Å; L465-F524 HydrophobicContact CD1-CE1 3.63Å
466	G	93.3	Very high	76	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	86.2	10.1	174.8	0	0	0	0	0	115.3	T377 V378 F481	T377-G466 CarbonylContact O-C 3.59Å; T377-G466 WeakPolarHBondContact O-CA 3.32Å; V378-G466 PolarHBondContact O-N 2.74Å; G466-F481 VanDerWaalsContact O-CB 3.32Å; G466-F481 WeakPolarHBondContact O-CB 3.39Å; G466-F481 PolarHBondContact O-N 3.18Å
467	K	89.1	Confident	75.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-163.5	155.4	-178.5	-107.4	147.7	171.2	166.4	0	113.8	N345 S346 S348 Y349 T377 S380 V464 I475 A480	N345-K467 WeakPolarHBondContact O-CE 3.45Å; N345-K467 PolarHBondContact O-NZ 3Å; S346-K467 WeakPolarHBondContact O-CE 3.29Å; S346-K467 PolarHBondContact O-NZ 3.11Å; S348-K467 VanDerWaalsContact O-CD 3.24Å; S348-K467 WeakPolarHBondContact O-CD 3.33Å; S348-K467 PolarHBondContact O-NZ 2.89Å; Y349-K467 HydrophobicContact CD1-CD 4.13Å; Y349-K467 HydrophobicContact CG-CD 4.42Å; T377-K467 VanDerWaalsContact CG2-O 3.31Å; T377-K467 WeakPolarHBondContact CG2-O 3.31Å; T377-K467 PolarHBondContact O-N 2.75Å; S380-K467 WeakPolarHBondContact CB-O 3.23Å; S380-K467 PolarHBondContact OG-O 2.82Å; V464-K467 HydrophobicContact CG1-CB 4.09Å; K467-I475 HydrophobicContact CB-CG2 3.84Å; K467-I475 HydrophobicContact CD-CG2 3.17Å; K467-I475 HydrophobicContact CG-CG2 3.36Å; K467-A480 HydrophobicContact CG-CB 4.12Å
468	D	84.9	Confident	74.7	Confident	12 Å²	12	43.1 Å²	43.1	6%	0.064	27%	0.274	C	S	.	.			trans	-83.6	148.3	168.6	-169.7	-0.7	0	0	0	111.3	T377 N388 M391 D470 I475 D479	T377-D468 HydrophobicContact CG2-CB 4.13Å; N388-D468 PolarHBondContact OD1-OD1 3.47Å; M391-D468 HydrophobicContact SD-CB 3.71Å; M391-D468 VanDerWaalsContact SD-OD2 3.35Å; D468-D470 PolarHBondContact O-N 2.95Å; D468-I475 WeakPolarHBondContact O-CA 3.43Å; D468-D479 WeakPolarHBondContact CB-OD2 3.5Å
469	Q	73.8	Confident	74.4	Confident	38 Å²	38	39.1 Å²	39.1	18%	0.178	25%	0.253	C	S	.	.			trans	-96.2	64.7	171.3	-71.1	170.3	-84.3	0	0	109.4	S380 S382 V464 G471	S380-Q469 VanDerWaalsContact C-OE1 3.31Å; S380-Q469 PolarHBondContact O-OE1 3.13Å; S380-Q469 WeakPolarHBondContact OG-CG 3.36Å; S380-Q469 PolarHBondContact OG-OE1 3.19Å; S380-Q469 VanDerWaalsContact OG-OE1 3.12Å; S382-Q469 VanDerWaalsContact N-OE1 3.13Å; S382-Q469 PolarHBondContact OG-NE2 3.48Å; V464-Q469 HydrophobicContact CB-CG 4.12Å; V464-Q469 HydrophobicContact CG2-CG 3.53Å; Q469-G471 PolarHBondContact O-N 3.04Å
470	D	62.1	Low	74.6	Confident	57 Å²	57	39.2 Å²	39.2	31%	0.305	25%	0.254	S	S	.	.			trans	-54.7	130.5	175	-68.7	-59.9	0	0	0	111.8	D468 G474 S476	D468-D470 PolarHBondContact O-N 2.95Å; D470-G474 WeakPolarHBondContact O-CA 3.42Å; D470-G474 PolarHBondContact O-N 2.96Å; D470-G474 VanDerWaalsContact O-N 3.17Å; D470-S476 WeakPolarHBondContact OD2-CB 3.48Å; D470-S476 PolarHBondContact OD2-N 2.91Å; D470-S476 VanDerWaalsContact OD2-N 3.1Å
471	G	51.5	Low	75.4	Confident	27 Å²	27	37.3 Å²	37.3	28%	0.278	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	154.5	179.9	0	0	0	0	0	114.7	D387 Q469 L473	D387-G471 WeakPolarHBondContact OD1-CA 3.19Å; Q469-G471 PolarHBondContact O-N 3.04Å; G471-L473 PolarHBondContact O-N 3.05Å
472	V	34.1	Very low	75.9	Confident	137 Å²	137	35.6 Å²	35.6	83%	0.83	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	-26.9	174.7	-175.4	0	0	0	0	117.6
473	L	40.1	Very low	76.2	Confident	139 Å²	139	34.4 Å²	34.4	73%	0.728	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-16.3	-176.5	-68	175.2	0	0	0	114.6	K248 G471	K248-L473 PolarHBondContact NZ-O 2.86Å; G471-L473 PolarHBondContact O-N 3.05Å
474	G	51.8	Low	76.3	Confident	43 Å²	43	34.8 Å²	34.8	44%	0.443	21%	0.214	S	C	.	.			trans	81.7	143	175.9	0	0	0	0	0	113.5	D470 S476	D470-G474 WeakPolarHBondContact O-CA 3.42Å; D470-G474 PolarHBondContact O-N 2.96Å; D470-G474 VanDerWaalsContact O-N 3.17Å; G474-S476 PolarHBondContact O-N 2.81Å
475	I	55.5	Low	76.3	Confident	37 Å²	37	34.6 Å²	34.6	19%	0.19	21%	0.213	C	C	.	.			trans	26.1	88.6	156	-50	-172.5	0	0	0	115.1	Y349 K467 D468	Y349-I475 HydrophobicContact CD1-CD1 3.9Å; Y349-I475 HydrophobicContact CE1-CD1 3.79Å; Y349-I475 HydrophobicContact CG-CD1 4.36Å; K467-I475 HydrophobicContact CB-CG2 3.84Å; K467-I475 HydrophobicContact CD-CG2 3.17Å; K467-I475 HydrophobicContact CG-CG2 3.36Å; D468-I475 WeakPolarHBondContact O-CA 3.43Å
476	S	65.7	Low	76.1	Confident	34 Å²	34	34.6 Å²	34.6	24%	0.238	21%	0.213	C	C	.	.			trans	-65.6	157.5	166.8	-174.2	0	0	0	0	112.3	D470 G474 S478	D470-S476 WeakPolarHBondContact OD2-CB 3.48Å; D470-S476 PolarHBondContact OD2-N 2.91Å; D470-S476 VanDerWaalsContact OD2-N 3.1Å; G474-S476 PolarHBondContact O-N 2.81Å; S476-S478 WeakPolarHBondContact OG-CB 3.41Å; S476-S478 PolarHBondContact OG-N 3.11Å; S476-S478 VanDerWaalsContact OG-N 3.08Å; S476-S478 PolarHBondContact OG-OG 3.23Å
477	D	76.9	Confident	76	Confident	85 Å²	85	36.4 Å²	36.4	46%	0.455	22%	0.223	S	C	.	.	S	Bend	trans	-93.3	-12.8	167.9	66.9	-10.7	0	0	0	112.7	R344 D479 A480	R344-D477 VanDerWaalsContact CD-O 3.24Å; R344-D477 WeakPolarHBondContact CD-O 3.39Å; R344-D477 WeakPolarHBondContact CG-O 3.43Å; R344-D477 PolarHBondContact NH1-O 2.68Å; D477-D479 PolarHBondContact O-N 3.15Å; D477-D479 VanDerWaalsContact O-N 3.14Å; D477-A480 PolarHBondContact O-N 2.8Å
478	S	82.4	Confident	76.1	Confident	82 Å²	82	36.4 Å²	36.4	57%	0.573	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.8	-174.2	54.9	0	0	0	0	113.8	R344 S476	R344-S478 VanDerWaalsContact NH1-C 3.33Å; R344-S478 PolarHBondContact NH1-O 3Å; S476-S478 WeakPolarHBondContact OG-CB 3.41Å; S476-S478 PolarHBondContact OG-N 3.11Å; S476-S478 VanDerWaalsContact OG-N 3.08Å; S476-S478 PolarHBondContact OG-OG 3.23Å
479	D	85.2	Confident	76.5	Confident	13 Å²	13	36.1 Å²	36.1	7%	0.07	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	8.2	-173.5	69.2	-49.5	0	0	0	111.6	V375 H376 T377 D468 D477	V375-D479 HydrophobicContact CB-CB 4.29Å; V375-D479 HydrophobicContact CG1-CB 4.04Å; V375-D479 CarbonylContact O-C 3.56Å; V375-D479 WeakPolarHBondContact O-CA 3.49Å; H376-D479 CarbonylContact C-O 3.51Å; H376-D479 VanDerWaalsContact CA-O 3.27Å; H376-D479 WeakPolarHBondContact CA-O 2.94Å; T377-D479 WeakPolarHBondContact CB-OD2 3.46Å; T377-D479 PolarHBondContact N-O 2.94Å; T377-D479 PolarHBondContact OG1-OD2 2.87Å; D468-D479 WeakPolarHBondContact CB-OD2 3.5Å; D477-D479 PolarHBondContact O-N 3.15Å; D477-D479 VanDerWaalsContact O-N 3.14Å
480	A	90.2	Very high	77.6	Confident	2 Å²	2	34.3 Å²	34.3	2%	0.017	21%	0.213	C	C	.	.			trans	-55.7	140.8	176.9	0	0	0	0	0	112.7	R344 N345 H376 K467 D477	R344-A480 HydrophobicContact CG-CB 4.24Å; R344-A480 VanDerWaalsContact NH1-N 3.19Å; R344-A480 PolarHBondContact NH1-O 2.89Å; N345-A480 WeakPolarHBondContact O-CB 3.42Å; H376-A480 PolarHBondContact ND1-O 3.15Å; K467-A480 HydrophobicContact CG-CB 4.12Å; D477-A480 PolarHBondContact O-N 2.8Å
481	F	94.6	Very high	79.3	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.009	20%	0.198	C	C	.	.			trans	-70.3	133.5	178.7	-171.9	-92.2	0	0	0	111.3	F341 V368 L370 H376 T377 V378 G466 G483 K484 M485	F341-F481 HydrophobicContact CB-CD1 3.94Å; F341-F481 WeakPolarHBondContact CB-O 3.31Å; F341-F481 HydrophobicContact CD1-CD1 4.35Å; F341-F481 AromaticContact CD2-CD1 3.51Å; F341-F481 HydrophobicContact CD2-CD1 3.51Å; F341-F481 AromaticContact CD2-CE1 3.86Å; F341-F481 HydrophobicContact CD2-CE1 3.86Å; F341-F481 HydrophobicContact CE2-CD1 4.06Å; F341-F481 HydrophobicContact CE2-CE1 4.39Å; F341-F481 AromaticContact CG-CD1 3.7Å; F341-F481 HydrophobicContact CG-CD1 3.7Å; F341-F481 HydrophobicContact CG-CE1 4.43Å; V368-F481 HydrophobicContact CB-CE2 4.22Å; V368-F481 HydrophobicContact CB-CZ 4.13Å; V368-F481 HydrophobicContact CG1-CE2 4.08Å; V368-F481 HydrophobicContact CG1-CZ 4.18Å; L370-F481 HydrophobicContact CD2-CD2 4.17Å; L370-F481 HydrophobicContact CD2-CE2 3.54Å; L370-F481 HydrophobicContact CD2-CZ 4.04Å; H376-F481 HydrophobicContact CB-CD2 3.93Å; T377-F481 WeakPolarHBondContact O-CB 3.26Å; V378-F481 HydrophobicContact CG2-CD2 4.13Å; V378-F481 HydrophobicContact CG2-CE2 4.13Å; G466-F481 VanDerWaalsContact O-CB 3.32Å; G466-F481 WeakPolarHBondContact O-CB 3.39Å; G466-F481 PolarHBondContact O-N 3.18Å; F481-G483 VanDerWaalsContact CE1-C 3.44Å; F481-K484 WeakPolarHBondContact CZ-O 3.38Å; F481-M485 HydrophobicContact CB-CE 4.24Å; F481-M485 HydrophobicContact CD1-CE 3.44Å; F481-M485 VanDerWaalsContact CD1-CE 3.44Å; F481-M485 HydrophobicContact CD2-CE 3.75Å; F481-M485 HydrophobicContact CE1-CB 4.25Å; F481-M485 HydrophobicContact CE1-CE 3.55Å; F481-M485 HydrophobicContact CE1-CG 4.48Å; F481-M485 HydrophobicContact CE2-CE 3.89Å; F481-M485 HydrophobicContact CG-CE 3.54Å; F481-M485 HydrophobicContact CZ-CB 4.1Å; F481-M485 HydrophobicContact CZ-CE 3.8Å
482	V	94.4	Very high	81.4	Confident	9 Å²	9	33.1 Å²	33.1	6%	0.055	20%	0.2	C	C	.	.			trans	-132.3	112.7	175.7	-173.7	0	0	0	0	108.4	R344 R371 A372 H376	R344-V482 HydrophobicContact CB-CG2 3.67Å; R344-V482 HydrophobicContact CG-CG2 4.37Å; R371-V482 HydrophobicContact CB-CG1 4.39Å; R371-V482 PolarHBondContact N-O 3.1Å; A372-V482 HydrophobicContact CB-CB 3.96Å; A372-V482 HydrophobicContact CB-CG1 4.03Å; A372-V482 HydrophobicContact CB-CG2 4.42Å; H376-V482 PolarHBondContact ND1-N 3.04Å; H376-V482 VanDerWaalsContact ND1-N 3.18Å
483	G	94.1	Very high	84.3	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.7	-156.7	-172	0	0	0	0	0	112.7	F341 L369 F481	F341-G483 PolarHBondContact N-O 3.42Å; F341-G483 PolarHBondContact O-N 3.22Å; L369-G483 CarbonylContact O-C 3.56Å; L369-G483 WeakPolarHBondContact O-CA 3.32Å; F481-G483 VanDerWaalsContact CE1-C 3.44Å
484	K	94.3	Very high	87	Confident	9 Å²	9	27.4 Å²	27.4	4%	0.039	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.3	178.7	-58.7	-174.3	179.8	-177.5	0	110.9	V338 L339 N340 V368 L369 R371 W423 F481 D533	V338-K484 HydrophobicContact CG1-CB 3.75Å; V338-K484 HydrophobicContact CG1-CD 4.14Å; V338-K484 HydrophobicContact CG1-CG 4.27Å; L339-K484 CarbonylContact O-C 3.43Å; L339-K484 VanDerWaalsContact O-CA 3.25Å; L339-K484 WeakPolarHBondContact O-CA 3.48Å; N340-K484 HydrophobicContact CB-CG 4.28Å; V368-K484 CarbonylContact C-O 3.55Å; V368-K484 WeakPolarHBondContact CA-O 3.29Å; L369-K484 HydrophobicContact CB-CB 4.24Å; L369-K484 HydrophobicContact CD2-CD 4.39Å; L369-K484 PolarHBondContact N-O 3.12Å; L369-K484 PolarHBondContact O-N 2.84Å; R371-K484 VanDerWaalsContact NH2-CE 3.29Å; W423-K484 HydrophobicContact CH2-CB 3.54Å; W423-K484 HydrophobicContact CZ2-CB 3.94Å; W423-K484 HydrophobicContact CZ2-CD 4.42Å; W423-K484 HydrophobicContact CZ3-CB 4.33Å; F481-K484 WeakPolarHBondContact CZ-O 3.38Å; K484-D533 VanDerWaalsContact CE-OD2 3.31Å; K484-D533 WeakPolarHBondContact CE-OD2 3.3Å; K484-D533 IonicContact NZ-OD2 3.6Å; K484-D533 PolarHBondContact NZ-OD2 2.94Å
485	M	93.6	Very high	89	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.5	171.7	66.2	176.7	67.5	0	0	111.5	L339 F341 H367 V368 V378 L465 F481 V488	L339-M485 HydrophobicContact CB-CG 3.89Å; L339-M485 HydrophobicContact CD1-CG 4.31Å; L339-M485 HydrophobicContact CD1-SD 4.32Å; L339-M485 PolarHBondContact N-O 2.95Å; L339-M485 PolarHBondContact O-N 3.19Å; F341-M485 HydrophobicContact CD2-CE 4.28Å; F341-M485 HydrophobicContact CE2-CE 3.6Å; F341-M485 HydrophobicContact CE2-CG 3.8Å; F341-M485 HydrophobicContact CE2-SD 3.82Å; F341-M485 HydrophobicContact CZ-CE 3.87Å; F341-M485 HydrophobicContact CZ-SD 4.1Å; H367-M485 CarbonylContact O-C 3.09Å; H367-M485 VanDerWaalsContact O-CA 3.26Å; H367-M485 WeakPolarHBondContact O-CA 3.44Å; V368-M485 HydrophobicContact CG1-CB 4.2Å; V378-M485 HydrophobicContact CG1-CE 4.12Å; L465-M485 HydrophobicContact CB-SD 4.03Å; L465-M485 HydrophobicContact CD1-SD 4.34Å; F481-M485 HydrophobicContact CB-CE 4.24Å; F481-M485 HydrophobicContact CD1-CE 3.44Å; F481-M485 VanDerWaalsContact CD1-CE 3.44Å; F481-M485 HydrophobicContact CD2-CE 3.75Å; F481-M485 HydrophobicContact CE1-CB 4.25Å; F481-M485 HydrophobicContact CE1-CE 3.55Å; F481-M485 HydrophobicContact CE1-CG 4.48Å; F481-M485 HydrophobicContact CE2-CE 3.89Å; F481-M485 HydrophobicContact CG-CE 3.54Å; F481-M485 HydrophobicContact CZ-CB 4.1Å; F481-M485 HydrophobicContact CZ-CE 3.8Å; M485-V488 HydrophobicContact SD-CG2 4.25Å
486	T	91.5	Very high	90.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162.3	175.1	-175.7	0	0	0	0	110.2	V338 H367 W423 V488 W519 R537	V338-T486 HydrophobicContact CG2-CG2 4.31Å; H367-T486 HydrophobicContact CB-CG2 3.86Å; H367-T486 PolarHBondContact N-O 2.97Å; H367-T486 PolarHBondContact O-N 3.38Å; W423-T486 HydrophobicContact CE3-CG2 4.35Å; W423-T486 HydrophobicContact CH2-CG2 3.77Å; W423-T486 HydrophobicContact CZ3-CG2 3.68Å; T486-V488 PolarHBondContact O-N 2.9Å; T486-W519 PolarHBondContact OG1-NE1 3.36Å; T486-R537 HydrophobicContact CG2-CB 4.1Å
487	D	89.5	Confident	91.9	Very high	37 Å²	37	29 Å²	29	20%	0.198	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.9	35.6	173.4	-52.4	-69.9	0	0	0	113.4	C365 N489 W519 R537	C365-D487 VanDerWaalsContact O-O 3.05Å; D487-N489 PolarHBondContact O-N 2.92Å; D487-N489 PolarHBondContact O-ND2 3.36Å; D487-W519 VanDerWaalsContact N-CD2 3.3Å; D487-R537 IonicContact OD1-NH1 3.11Å; D487-R537 VanDerWaalsContact OD2-CD 3.29Å; D487-R537 WeakPolarHBondContact OD2-CD 3.48Å; D487-R537 IonicContact OD2-CZ 3.91Å; D487-R537 IonicContact OD2-NE 3.85Å; D487-R537 IonicContact OD2-NH1 3.17Å; D487-R537 PolarHBondContact OD2-NH1 2.76Å
488	V	92.6	Very high	92.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	114.9	169	-170.6	0	0	0	0	107.2	C365 M366 I379 L465 M485 T486 L517 W519	C365-V488 CarbonylContact O-C 3.59Å; C365-V488 VanDerWaalsContact O-CA 3.32Å; C365-V488 WeakPolarHBondContact O-CA 3.36Å; M366-V488 HydrophobicContact CB-CB 4.47Å; M366-V488 HydrophobicContact CB-CG2 4.03Å; I379-V488 HydrophobicContact CD1-CG1 4.39Å; L465-V488 HydrophobicContact CD1-CB 4.45Å; L465-V488 HydrophobicContact CD1-CG2 4.29Å; L465-V488 HydrophobicContact CD2-CG1 4Å; M485-V488 HydrophobicContact SD-CG2 4.25Å; T486-V488 PolarHBondContact O-N 2.9Å; V488-L517 HydrophobicContact CB-CD2 4.36Å; V488-L517 HydrophobicContact CG1-CD2 4.26Å; V488-L517 WeakPolarHBondContact O-CD2 3.49Å; V488-W519 HydrophobicContact CB-CE3 3.7Å; V488-W519 HydrophobicContact CB-CZ3 3.72Å; V488-W519 HydrophobicContact CG2-CE3 4.06Å; V488-W519 HydrophobicContact CG2-CH2 4.29Å; V488-W519 HydrophobicContact CG2-CZ3 3.63Å; V488-W519 WeakPolarHBondContact O-CB 3.38Å
489	N	93.6	Very high	92.7	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.032	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	141.5	179	-73.1	-83	0	0	0	109.8	V364 C365 D487 W491 G514 L517 W519	V364-N489 WeakPolarHBondContact CA-O 3.44Å; C365-N489 PolarHBondContact N-O 3.04Å; C365-N489 PolarHBondContact O-N 3.11Å; D487-N489 PolarHBondContact O-N 2.92Å; D487-N489 PolarHBondContact O-ND2 3.36Å; N489-W491 HydrophobicContact CB-CE3 4.26Å; N489-W491 HydrophobicContact CB-CH2 3.24Å; N489-W491 HydrophobicContact CB-CZ2 3.92Å; N489-W491 HydrophobicContact CB-CZ3 3.44Å; N489-W491 VanDerWaalsContact CB-CZ3 3.44Å; N489-W491 WeakPolarHBondContact O-CZ3 3.27Å; N489-G514 PolarHBondContact OD1-N 2.93Å; N489-L517 VanDerWaalsContact CA-O 3.29Å; N489-L517 WeakPolarHBondContact CA-O 3.26Å; N489-W519 PolarHBondContact OD1-N 2.87Å
490	V	96.2	Very high	92.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.5	179.8	-173.3	0	0	0	0	109.9	T363 V364 I379 F463 G514 N515 V516 L517	T363-V490 WeakPolarHBondContact O-CA 3.03Å; V364-V490 HydrophobicContact CG1-CG2 4.27Å; V364-V490 HydrophobicContact CG2-CG1 4.02Å; V364-V490 HydrophobicContact CG2-CG2 4.01Å; I379-V490 HydrophobicContact CD1-CG2 4.03Å; F463-V490 HydrophobicContact CE2-CB 4.48Å; F463-V490 HydrophobicContact CE2-CG1 4.4Å; F463-V490 HydrophobicContact CE2-CG2 4.19Å; F463-V490 HydrophobicContact CZ-CG1 4.38Å; V490-G514 CarbonylContact O-C 3.5Å; V490-G514 WeakPolarHBondContact O-CA 3.26Å; V490-N515 PolarHBondContact O-N 2.86Å; V490-V516 HydrophobicContact CB-CB 3.96Å; V490-V516 HydrophobicContact CB-CG1 4.32Å; V490-V516 HydrophobicContact CG1-CB 3.84Å; V490-V516 HydrophobicContact CG1-CG1 4Å; V490-V516 HydrophobicContact CG1-CG2 4.33Å; V490-V516 WeakPolarHBondContact O-CB 3.05Å; V490-V516 PolarHBondContact O-N 3.04Å; V490-L517 HydrophobicContact CB-CB 3.92Å; V490-L517 HydrophobicContact CG2-CB 3.9Å; V490-L517 PolarHBondContact N-O 2.91Å; V490-L517 PolarHBondContact O-N 2.93Å
491	W	96.7	Very high	92.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.8	174.7	-63.6	-96.1	0	0	0	110.6	F362 T363 C365 N489 Y493 L495 Q503 V512 V513 G514 N515	F362-W491 WeakPolarHBondContact CA-O 2.95Å; F362-W491 WeakPolarHBondContact CB-O 2.92Å; T363-W491 HydrophobicContact CG2-CE3 4.14Å; T363-W491 HydrophobicContact CG2-CZ3 4.5Å; T363-W491 PolarHBondContact N-O 2.81Å; T363-W491 PolarHBondContact O-N 3.31Å; C365-W491 HydrophobicContact CB-CH2 4.26Å; C365-W491 HydrophobicContact CB-CZ3 3.82Å; N489-W491 HydrophobicContact CB-CE3 4.26Å; N489-W491 HydrophobicContact CB-CH2 3.24Å; N489-W491 HydrophobicContact CB-CZ2 3.92Å; N489-W491 HydrophobicContact CB-CZ3 3.44Å; N489-W491 VanDerWaalsContact CB-CZ3 3.44Å; N489-W491 WeakPolarHBondContact O-CZ3 3.27Å; W491-Y493 HydrophobicContact CB-CD1 4.21Å; W491-Y493 HydrophobicContact CB-CE1 4.09Å; W491-Y493 AromaticContact CD1-CE1 3.71Å; W491-Y493 AromaticContact CD1-CZ 3.59Å; W491-Y493 HydrophobicContact CG-CE1 4.28Å; W491-Y493 PolarHBondContact O-N 2.81Å; W491-L495 HydrophobicContact CD2-CD1 4.01Å; W491-L495 HydrophobicContact CD2-CD2 4.14Å; W491-L495 HydrophobicContact CD2-CG 4.22Å; W491-L495 HydrophobicContact CE3-CD1 3.95Å; W491-L495 HydrophobicContact CE3-CG 4.42Å; W491-L495 HydrophobicContact CG-CD2 4.06Å; W491-L495 HydrophobicContact CG-CG 4.44Å; W491-L495 HydrophobicContact CH2-CD1 4.1Å; W491-L495 HydrophobicContact CZ2-CD1 4.17Å; W491-L495 HydrophobicContact CZ3-CD1 4Å; W491-Q503 HydrophobicContact CH2-CG 4.18Å; W491-V512 HydrophobicContact CZ2-CG1 4.24Å; W491-V513 PolarHBondContact NE1-O 2.92Å; W491-G514 VanDerWaalsContact CE2-CA 3.46Å; W491-N515 VanDerWaalsContact CA-OD1 3.26Å; W491-N515 WeakPolarHBondContact CA-OD1 3.44Å
492	D	95.9	Very high	92.3	Very high	60 Å²	60	35.8 Å²	35.8	32%	0.321	19%	0.189	S	C	.	.	S	Bend	trans	-85.9	15.8	174.2	64.3	-9.9	0	0	0	113.4	L359 A361 N515 V516	L359-D492 HydrophobicContact CD2-CB 3.34Å; A361-D492 CarbonylContact O-C 3.42Å; A361-D492 VanDerWaalsContact O-O 3.06Å; D492-N515 PolarHBondContact N-OD1 3.01Å; D492-N515 PolarHBondContact OD1-ND2 3.06Å; D492-N515 PolarHBondContact OD1-OD1 3.09Å; D492-N515 PolarHBondContact OD2-ND2 3.28Å; D492-V516 HydrophobicContact CB-CG2 3.81Å
493	Y	95.8	Very high	91.9	Very high	89 Å²	89	35.7 Å²	35.7	35%	0.349	19%	0.188	S	C	.	.	S	Bend	trans	-142.9	162.3	176.4	59.3	-86.4	0	0	0	111.5	F362 T363 W491 L495	F362-Y493 CarbonylContact C-O 3.46Å; T363-Y493 PolarHBondContact N-O 2.61Å; T363-Y493 PolarHBondContact OG1-O 3.1Å; W491-Y493 HydrophobicContact CB-CD1 4.21Å; W491-Y493 HydrophobicContact CB-CE1 4.09Å; W491-Y493 AromaticContact CD1-CE1 3.71Å; W491-Y493 AromaticContact CD1-CZ 3.59Å; W491-Y493 HydrophobicContact CG-CE1 4.28Å; W491-Y493 PolarHBondContact O-N 2.81Å; Y493-L495 HydrophobicContact CD2-CD2 4.14Å; Y493-L495 HydrophobicContact CE2-CD2 3.42Å; Y493-L495 VanDerWaalsContact CE2-CD2 3.42Å; Y493-L495 PolarHBondContact O-N 2.97Å
494	V	96.4	Very high	91.5	Very high	67 Å²	67	37.7 Å²	37.7	41%	0.406	20%	0.2	S	C	.	.			trans	-77.3	116	172.6	179.6	0	0	0	0	109.1	A361 T363 T429	A361-V494 HydrophobicContact CB-CG2 4.16Å; T363-V494 WeakPolarHBondContact OG1-CA 3.42Å; T429-V494 HydrophobicContact CG2-CG1 4.07Å
495	L	94.3	Very high	90.8	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	22%	0.219	C	C	.	.			trans	-64.5	147.6	174.2	-70	-173.5	0	0	0	111	T363 W491 Y493 E499 I500 Q503	T363-L495 HydrophobicContact CG2-CB 4.16Å; T363-L495 HydrophobicContact CG2-CD1 3.77Å; T363-L495 HydrophobicContact CG2-CG 3.8Å; T363-L495 PolarHBondContact OG1-N 2.86Å; W491-L495 HydrophobicContact CD2-CD1 4.01Å; W491-L495 HydrophobicContact CD2-CD2 4.14Å; W491-L495 HydrophobicContact CD2-CG 4.22Å; W491-L495 HydrophobicContact CE3-CD1 3.95Å; W491-L495 HydrophobicContact CE3-CG 4.42Å; W491-L495 HydrophobicContact CG-CD2 4.06Å; W491-L495 HydrophobicContact CG-CG 4.44Å; W491-L495 HydrophobicContact CH2-CD1 4.1Å; W491-L495 HydrophobicContact CZ2-CD1 4.17Å; W491-L495 HydrophobicContact CZ3-CD1 4Å; Y493-L495 HydrophobicContact CD2-CD2 4.14Å; Y493-L495 HydrophobicContact CE2-CD2 3.42Å; Y493-L495 VanDerWaalsContact CE2-CD2 3.42Å; Y493-L495 PolarHBondContact O-N 2.97Å; L495-E499 HydrophobicContact CB-CB 4.05Å; L495-E499 HydrophobicContact CD1-CB 4.27Å; L495-E499 HydrophobicContact CD2-CB 4.12Å; L495-E499 HydrophobicContact CG-CB 4.37Å; L495-I500 HydrophobicContact CB-CD1 4.23Å; L495-I500 HydrophobicContact CB-CG1 3.66Å; L495-I500 HydrophobicContact CD1-CG1 4.25Å; L495-Q503 HydrophobicContact CD1-CG 4.44Å
496	T	91.6	Very high	89.5	Confident	78 Å²	78	44 Å²	44	48%	0.479	24%	0.238	S	C	.	.			trans	-69	159.4	170.2	65.3	0	0	0	0	111.4	A498 E499 I500	T496-A498 PolarHBondContact O-N 3.2Å; T496-A498 VanDerWaalsContact O-N 3.13Å; T496-E499 VanDerWaalsContact CB-OE2 3.32Å; T496-E499 WeakPolarHBondContact CB-OE2 3.17Å; T496-E499 WeakPolarHBondContact CG2-OE2 3.34Å; T496-E499 PolarHBondContact N-OE2 3.29Å; T496-E499 PolarHBondContact O-N 3.08Å; T496-E499 VanDerWaalsContact O-N 3.11Å; T496-E499 WeakPolarHBondContact OG1-CG 3.43Å; T496-E499 PolarHBondContact OG1-N 3.5Å; T496-E499 PolarHBondContact OG1-OE2 2.8Å; T496-I500 WeakPolarHBondContact O-CG1 3.37Å; T496-I500 PolarHBondContact O-N 3.31Å
497	T	90	Very high	87.9	Confident	64 Å²	64	51.1 Å²	51.1	39%	0.393	27%	0.27	S	S	.	.	H	α-helix	trans	-56.1	-30.5	174.8	-55.8	0	0	0	0	113.3	W440 R501	W440-T497 HydrophobicContact CH2-CG2 3.57Å; W440-T497 HydrophobicContact CZ3-CG2 3.83Å; T497-R501 WeakPolarHBondContact O-CB 3.33Å; T497-R501 VanDerWaalsContact O-CG 3.25Å; T497-R501 WeakPolarHBondContact O-CG 3.24Å; T497-R501 PolarHBondContact O-N 3.04Å
498	A	87.4	Confident	85.9	Confident	61 Å²	61	55.1 Å²	55.1	50%	0.504	30%	0.301	S	S	.	.	H	α-helix	trans	-70.3	-49	176.2	0	0	0	0	0	110.8	T496 I500 R501 D502	T496-A498 PolarHBondContact O-N 3.2Å; T496-A498 VanDerWaalsContact O-N 3.13Å; A498-I500 VanDerWaalsContact C-N 3.33Å; A498-I500 PolarHBondContact O-N 3.29Å; A498-R501 WeakPolarHBondContact O-CB 3.27Å; A498-R501 PolarHBondContact O-N 3.14Å; A498-R501 VanDerWaalsContact O-N 3.11Å; A498-D502 PolarHBondContact O-N 2.98Å
499	E	89.9	Confident	83.8	Confident	47 Å²	47	61.2 Å²	61.2	22%	0.22	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-40.2	178.4	-70.1	163	132.3	0	0	112.1	L495 T496 R501 D502 Q503	L495-E499 HydrophobicContact CB-CB 4.05Å; L495-E499 HydrophobicContact CD1-CB 4.27Å; L495-E499 HydrophobicContact CD2-CB 4.12Å; L495-E499 HydrophobicContact CG-CB 4.37Å; T496-E499 VanDerWaalsContact CB-OE2 3.32Å; T496-E499 WeakPolarHBondContact CB-OE2 3.17Å; T496-E499 WeakPolarHBondContact CG2-OE2 3.34Å; T496-E499 PolarHBondContact N-OE2 3.29Å; T496-E499 PolarHBondContact O-N 3.08Å; T496-E499 VanDerWaalsContact O-N 3.11Å; T496-E499 WeakPolarHBondContact OG1-CG 3.43Å; T496-E499 PolarHBondContact OG1-N 3.5Å; T496-E499 PolarHBondContact OG1-OE2 2.8Å; E499-R501 VanDerWaalsContact C-N 3.34Å; E499-R501 PolarHBondContact O-N 2.72Å; E499-D502 WeakPolarHBondContact O-CB 3.22Å; E499-D502 PolarHBondContact O-N 2.96Å; E499-Q503 WeakPolarHBondContact O-CG 3.03Å; E499-Q503 PolarHBondContact O-N 3.11Å
500	I	89.3	Confident	81.8	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-39.9	175.4	-66.8	175.9	0	0	0	111.2	C427 T429 W440 L495 T496 A498 D502 Q503	C427-I500 HydrophobicContact CB-CG2 4.14Å; T429-I500 HydrophobicContact CG2-CD1 4.1Å; W440-I500 HydrophobicContact CB-CG2 3.93Å; W440-I500 HydrophobicContact CD2-CD1 4.12Å; W440-I500 HydrophobicContact CD2-CG2 3.9Å; W440-I500 HydrophobicContact CE3-CG2 4.07Å; W440-I500 HydrophobicContact CG-CD1 4.15Å; W440-I500 HydrophobicContact CG-CG2 3.85Å; W440-I500 HydrophobicContact CZ2-CD1 4.36Å; L495-I500 HydrophobicContact CB-CD1 4.23Å; L495-I500 HydrophobicContact CB-CG1 3.66Å; L495-I500 HydrophobicContact CD1-CG1 4.25Å; T496-I500 WeakPolarHBondContact O-CG1 3.37Å; T496-I500 PolarHBondContact O-N 3.31Å; A498-I500 VanDerWaalsContact C-N 3.33Å; A498-I500 PolarHBondContact O-N 3.29Å; I500-D502 VanDerWaalsContact C-N 3.31Å; I500-D502 PolarHBondContact O-N 3.23Å; I500-Q503 WeakPolarHBondContact O-CB 3.35Å; I500-Q503 PolarHBondContact O-N 3.21Å
501	R	86.5	Confident	79.8	Confident	148 Å²	148	68.4 Å²	68.4	56%	0.558	38%	0.38	S	S	*	.	H	α-helix	trans	-66.6	-35	176.1	-76.4	175.1	-178.4	171.8	4.6	112	T497 A498 E499 Q503 V504	T497-R501 WeakPolarHBondContact O-CB 3.33Å; T497-R501 VanDerWaalsContact O-CG 3.25Å; T497-R501 WeakPolarHBondContact O-CG 3.24Å; T497-R501 PolarHBondContact O-N 3.04Å; A498-R501 WeakPolarHBondContact O-CB 3.27Å; A498-R501 PolarHBondContact O-N 3.14Å; A498-R501 VanDerWaalsContact O-N 3.11Å; E499-R501 VanDerWaalsContact C-N 3.34Å; E499-R501 PolarHBondContact O-N 2.72Å; R501-Q503 PolarHBondContact O-N 2.77Å; R501-V504 WeakPolarHBondContact O-CB 3.47Å; R501-V504 PolarHBondContact O-N 3.19Å; R501-V504 VanDerWaalsContact O-N 3.12Å
502	D	85.6	Confident	78.5	Confident	69 Å²	69	70 Å²	70	37%	0.369	39%	0.389	S	S	.	.	H	α-helix	trans	-64	-32.3	175.5	-73	-3.1	0	0	0	111.7	A498 E499 I500 V504 L505	A498-D502 PolarHBondContact O-N 2.98Å; E499-D502 WeakPolarHBondContact O-CB 3.22Å; E499-D502 PolarHBondContact O-N 2.96Å; I500-D502 VanDerWaalsContact C-N 3.31Å; I500-D502 PolarHBondContact O-N 3.23Å; D502-V504 PolarHBondContact O-N 3.33Å; D502-L505 WeakPolarHBondContact O-CB 3.42Å; D502-L505 PolarHBondContact O-N 2.6Å; D502-L505 VanDerWaalsContact O-N 3.09Å
503	Q	85.6	Confident	77.8	Confident	7 Å²	7	70.6 Å²	70.6	3%	0.033	40%	0.395	C	S	.	.	H	α-helix	trans	-63.4	-25.8	174.5	-60.7	-51.8	-47.3	0	0	113.3	C365 H367 W491 L495 E499 I500 R501 L505 S510 V512 R537	C365-Q503 HydrophobicContact CB-CB 4.49Å; C365-Q503 HydrophobicContact CB-CG 4.34Å; H367-Q503 PolarHBondContact CE1-O 3.43Å; W491-Q503 HydrophobicContact CH2-CG 4.18Å; L495-Q503 HydrophobicContact CD1-CG 4.44Å; E499-Q503 WeakPolarHBondContact O-CG 3.03Å; E499-Q503 PolarHBondContact O-N 3.11Å; I500-Q503 WeakPolarHBondContact O-CB 3.35Å; I500-Q503 PolarHBondContact O-N 3.21Å; R501-Q503 PolarHBondContact O-N 2.77Å; Q503-L505 VanDerWaalsContact C-N 3.33Å; Q503-S510 PolarHBondContact NE2-OG 2.76Å; Q503-V512 PolarHBondContact NE2-O 2.81Å; Q503-R537 PolarHBondContact O-NH2 2.76Å
504	V	84.6	Confident	77.4	Confident	41 Å²	41	66.6 Å²	66.6	25%	0.248	38%	0.381	C	S	.	.	H	α-helix	trans	-75.8	-24.8	177.3	-173.6	0	0	0	0	111.5	N425 R501 D502	N425-V504 HydrophobicContact CB-CG2 4.47Å; N425-V504 WeakPolarHBondContact OD1-CG2 3.27Å; R501-V504 WeakPolarHBondContact O-CB 3.47Å; R501-V504 PolarHBondContact O-N 3.19Å; R501-V504 VanDerWaalsContact O-N 3.12Å; D502-V504 PolarHBondContact O-N 3.33Å
505	L	79.5	Confident	77.1	Confident	86 Å²	86	67.4 Å²	67.4	45%	0.45	38%	0.383	S	S	.	.			trans	-70.3	147.7	-174.4	-60.9	176.7	0	0	0	111.1	D502 Q503 E507 R537	D502-L505 WeakPolarHBondContact O-CB 3.42Å; D502-L505 PolarHBondContact O-N 2.6Å; D502-L505 VanDerWaalsContact O-N 3.09Å; Q503-L505 VanDerWaalsContact C-N 3.33Å; L505-E507 VanDerWaalsContact C-N 3.3Å; L505-R537 PolarHBondContact O-NH2 3.47Å
506	C	66.2	Low	77	Confident	57 Å²	57	67.8 Å²	67.8	39%	0.385	39%	0.385	S	S	.	.			trans	-88.1	5.2	179.4	-63.4	0	0	0	0	112.9	Y536 C538	C506-Y536 PolarHBondContact O-OH 3.15Å; C506-C538 HydrophobicContact CB-CB 3.64Å; C506-C538 WeakPolarHBondContact CB-SG 3.2Å; C506-C538 WeakPolarHBondContact SG-CB 3.4Å; C506-C538 CovalentContact SG-SG 2.01Å; C506-C538 PolarHBondContact SG-SG 2.91Å
507	E	58.5	Low	76.9	Confident	149 Å²	149	64.1 Å²	64.1	70%	0.696	36%	0.363	S	S	*	.			trans	-73.5	136.5	-176.1	-64.6	-172.2	174.8	0	0	110.3	L505 N509 S510	L505-E507 VanDerWaalsContact C-N 3.3Å; E507-N509 PolarHBondContact O-N 2.89Å; E507-S510 PolarHBondContact O-N 3.18Å
508	S	48.7	Very low	76.9	Confident	121 Å²	121	61.8 Å²	61.8	85%	0.846	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	4.5	-179.4	56.9	0	0	0	0	114.6
509	N	47	Very low	76.7	Confident	128 Å²	128	59.8 Å²	59.8	68%	0.684	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.1	52.8	-179.8	-77.6	-24.8	0	0	0	110.3	E507 T511	E507-N509 PolarHBondContact O-N 2.89Å; N509-T511 VanDerWaalsContact C-N 3.29Å; N509-T511 PolarHBondContact O-N 3.34Å
510	S	52.5	Low	76.1	Confident	39 Å²	39	59.5 Å²	59.5	27%	0.273	34%	0.338	S	S	.	.			trans	-58.3	105.6	155.1	-179.2	0	0	0	0	106.4	Q503 E507 V512	Q503-S510 PolarHBondContact NE2-OG 2.76Å; E507-S510 PolarHBondContact O-N 3.18Å; S510-V512 PolarHBondContact O-N 3.21Å; S510-V512 PolarHBondContact OG-O 3Å
511	T	53.8	Low	75.6	Confident	119 Å²	119	64 Å²	64	73%	0.73	37%	0.369	S	S	*	.	S	Bend	trans	-70.2	-12.8	-172	55.8	0	0	0	0	112.4	N509	N509-T511 VanDerWaalsContact C-N 3.29Å; N509-T511 PolarHBondContact O-N 3.34Å
512	V	69.1	Low	75.1	Confident	32 Å²	32	58.6 Å²	58.6	19%	0.194	35%	0.354	C	S	.	.			trans	-121.4	108.5	-174.9	-173.7	0	0	0	0	108.5	W491 Q503 S510	W491-V512 HydrophobicContact CZ2-CG1 4.24Å; Q503-V512 PolarHBondContact NE2-O 2.81Å; S510-V512 PolarHBondContact O-N 3.21Å; S510-V512 PolarHBondContact OG-O 3Å
513	V	82.1	Confident	74.7	Confident	74 Å²	74	65.6 Å²	65.6	45%	0.448	38%	0.376	S	S	.	.			trans	-105.3	160	169.4	-67.3	0	0	0	0	109.5	W491 S518	W491-V513 PolarHBondContact NE1-O 2.92Å; V513-S518 WeakPolarHBondContact CB-OG 3.41Å; V513-S518 WeakPolarHBondContact CG2-OG 3.08Å
514	G	87	Confident	74.3	Confident	4 Å²	4	67.8 Å²	67.8	4%	0.041	39%	0.385	C	S	.	.			trans	-62.9	137.5	-178.6	0	0	0	0	0	112.9	N489 V490 W491 L517 S518	N489-G514 PolarHBondContact OD1-N 2.93Å; V490-G514 CarbonylContact O-C 3.5Å; V490-G514 WeakPolarHBondContact O-CA 3.26Å; W491-G514 VanDerWaalsContact CE2-CA 3.46Å; G514-L517 VanDerWaalsContact CA-O 3.3Å; G514-L517 WeakPolarHBondContact CA-O 3.29Å; G514-S518 VanDerWaalsContact O-CB 3.27Å; G514-S518 WeakPolarHBondContact O-CB 3.38Å
515	N	90.4	Very high	74.1	Confident	85 Å²	85	70 Å²	70	46%	0.455	39%	0.392	S	S	.	.	S	Bend	trans	-88.3	-17.8	174.4	64.6	-43.3	0	0	0	113.1	V490 W491 D492	V490-N515 PolarHBondContact O-N 2.86Å; W491-N515 VanDerWaalsContact CA-OD1 3.26Å; W491-N515 WeakPolarHBondContact CA-OD1 3.44Å; D492-N515 PolarHBondContact N-OD1 3.01Å; D492-N515 PolarHBondContact OD1-ND2 3.06Å; D492-N515 PolarHBondContact OD1-OD1 3.09Å; D492-N515 PolarHBondContact OD2-ND2 3.28Å
516	V	91.3	Very high	74.2	Confident	13 Å²	13	69.6 Å²	69.6	8%	0.079	39%	0.388	C	S	.	.	S	Bend	trans	-88.3	-47.2	172.2	-177.2	0	0	0	0	110.1	L354 M357 L359 L459 F463 V490 D492	L354-V516 HydrophobicContact CD2-CG1 3.83Å; M357-V516 HydrophobicContact CE-CG1 4.25Å; M357-V516 HydrophobicContact CE-CG2 4.45Å; M357-V516 HydrophobicContact SD-CB 4.26Å; M357-V516 HydrophobicContact SD-CG1 3.87Å; M357-V516 HydrophobicContact SD-CG2 3.7Å; L359-V516 HydrophobicContact CD2-CG2 4.2Å; L459-V516 HydrophobicContact CD1-CG1 3.65Å; F463-V516 HydrophobicContact CE2-CG1 3.99Å; F463-V516 HydrophobicContact CZ-CG1 4.49Å; V490-V516 HydrophobicContact CB-CB 3.96Å; V490-V516 HydrophobicContact CB-CG1 4.32Å; V490-V516 HydrophobicContact CG1-CB 3.84Å; V490-V516 HydrophobicContact CG1-CG1 4Å; V490-V516 HydrophobicContact CG1-CG2 4.33Å; V490-V516 WeakPolarHBondContact O-CB 3.05Å; V490-V516 PolarHBondContact O-N 3.04Å; D492-V516 HydrophobicContact CB-CG2 3.81Å
517	L	90.1	Very high	74.7	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-139.7	122.6	174	-177.8	152.3	0	0	0	108.8	A352 F463 V488 N489 V490 G514 F524	A352-L517 HydrophobicContact CB-CD1 3.39Å; A352-L517 HydrophobicContact CB-CG 4.46Å; F463-L517 HydrophobicContact CB-CD1 4.4Å; F463-L517 HydrophobicContact CD2-CB 4.47Å; F463-L517 HydrophobicContact CD2-CD1 3.71Å; F463-L517 HydrophobicContact CG-CD1 4.46Å; V488-L517 HydrophobicContact CB-CD2 4.36Å; V488-L517 HydrophobicContact CG1-CD2 4.26Å; V488-L517 WeakPolarHBondContact O-CD2 3.49Å; N489-L517 VanDerWaalsContact CA-O 3.29Å; N489-L517 WeakPolarHBondContact CA-O 3.26Å; V490-L517 HydrophobicContact CB-CB 3.92Å; V490-L517 HydrophobicContact CG2-CB 3.9Å; V490-L517 PolarHBondContact N-O 2.91Å; V490-L517 PolarHBondContact O-N 2.93Å; G514-L517 VanDerWaalsContact CA-O 3.3Å; G514-L517 WeakPolarHBondContact CA-O 3.29Å; L517-F524 HydrophobicContact CD1-CE1 4.39Å; L517-F524 HydrophobicContact CD2-CZ 4.26Å
518	S	89.5	Confident	75.4	Confident	14 Å²	14	65.5 Å²	65.5	10%	0.098	37%	0.371	C	S	.	.			trans	-113.7	113.4	-176.3	179.6	0	0	0	0	110.3	V513 G514 G520 S521 S522	V513-S518 WeakPolarHBondContact CB-OG 3.41Å; V513-S518 WeakPolarHBondContact CG2-OG 3.08Å; G514-S518 VanDerWaalsContact O-CB 3.27Å; G514-S518 WeakPolarHBondContact O-CB 3.38Å; S518-G520 PolarHBondContact O-N 3.08Å; S518-S521 PolarHBondContact O-N 2.91Å; S518-S522 PolarHBondContact N-OG 3.08Å; S518-S522 VanDerWaalsContact N-OG 3.07Å; S518-S522 VanDerWaalsContact O-CB 3.27Å; S518-S522 WeakPolarHBondContact O-CB 3.41Å; S518-S522 PolarHBondContact O-N 2.76Å; S518-S522 PolarHBondContact O-OG 3.03Å
519	W	84.3	Confident	76.6	Confident	19 Å²	19	62.4 Å²	62.4	7%	0.072	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	137.1	176.2	-161.7	-106	0	0	0	111.3	L337 L339 L465 T486 D487 V488 N489 S521 F524	L337-W519 VanDerWaalsContact O-CZ2 3.29Å; L337-W519 WeakPolarHBondContact O-CZ2 3.45Å; L337-W519 PolarHBondContact O-NE1 2.99Å; L339-W519 HydrophobicContact CD1-CH2 3.69Å; L339-W519 HydrophobicContact CD1-CZ3 4.35Å; L339-W519 HydrophobicContact CG-CH2 3.74Å; L339-W519 HydrophobicContact CG-CZ2 4.27Å; L465-W519 HydrophobicContact CD1-CZ3 4.01Å; T486-W519 PolarHBondContact OG1-NE1 3.36Å; D487-W519 VanDerWaalsContact N-CD2 3.3Å; V488-W519 HydrophobicContact CB-CE3 3.7Å; V488-W519 HydrophobicContact CB-CZ3 3.72Å; V488-W519 HydrophobicContact CG2-CE3 4.06Å; V488-W519 HydrophobicContact CG2-CH2 4.29Å; V488-W519 HydrophobicContact CG2-CZ3 3.63Å; V488-W519 WeakPolarHBondContact O-CB 3.38Å; N489-W519 PolarHBondContact OD1-N 2.87Å; W519-S521 PolarHBondContact O-N 3.43Å; W519-F524 HydrophobicContact CE3-CE1 4.46Å; W519-F524 HydrophobicContact CE3-CE2 4.07Å; W519-F524 AromaticContact CE3-CZ 3.64Å; W519-F524 HydrophobicContact CE3-CZ 3.64Å; W519-F524 HydrophobicContact CZ3-CE1 4.15Å; W519-F524 HydrophobicContact CZ3-CE2 4.22Å; W519-F524 AromaticContact CZ3-CZ 3.73Å; W519-F524 HydrophobicContact CZ3-CZ 3.73Å
520	G	76.4	Confident	78.3	Confident	41 Å²	41	56.9 Å²	56.9	42%	0.423	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-15.7	-177.4	0	0	0	0	0	115.4	S518	S518-G520 PolarHBondContact O-N 3.08Å
521	S	79.4	Confident	79.8	Confident	95 Å²	95	59.3 Å²	59.3	66%	0.664	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	-39.7	175.1	-56.5	0	0	0	0	112.6	S518 W519	S518-S521 PolarHBondContact O-N 2.91Å; W519-S521 PolarHBondContact O-N 3.43Å
522	S	76	Confident	81.2	Confident	35 Å²	35	58 Å²	58	25%	0.245	32%	0.324	C	S	.	.	S	Bend	trans	-66.4	138.8	175	-69.2	0	0	0	0	110.6	S518 F524	S518-S522 PolarHBondContact N-OG 3.08Å; S518-S522 VanDerWaalsContact N-OG 3.07Å; S518-S522 VanDerWaalsContact O-CB 3.27Å; S518-S522 WeakPolarHBondContact O-CB 3.41Å; S518-S522 PolarHBondContact O-N 2.76Å; S518-S522 PolarHBondContact O-OG 3.03Å; S522-F524 VanDerWaalsContact O-CD2 3.29Å; S522-F524 WeakPolarHBondContact O-CD2 3.45Å; S522-F524 VanDerWaalsContact O-CE2 3.29Å; S522-F524 WeakPolarHBondContact O-CE2 3.34Å
523	R	76.4	Confident	81.6	Confident	217 Å²	217	58.4 Å²	58.4	82%	0.819	33%	0.325	S	S	*	.			trans	-80.7	135.2	175	-66	-173.9	178.3	-149.2	-0.3	109.3	P353	P353-R523 WeakPolarHBondContact CD-O 3.19Å
524	F	77	Confident	81.1	Confident	52 Å²	52	61.3 Å²	61.3	23%	0.228	34%	0.338	C	S	.	.			trans	-114.3	140.8	174.4	-61.5	-88.2	0	0	0	110.5	L351 A352 L465 L517 W519 S522	L351-F524 VanDerWaalsContact O-CA 3.27Å; L351-F524 WeakPolarHBondContact O-CA 3.3Å; A352-F524 HydrophobicContact CB-CD1 3.7Å; A352-F524 HydrophobicContact CB-CE1 3.5Å; L465-F524 HydrophobicContact CD1-CD1 4.12Å; L465-F524 HydrophobicContact CD1-CE1 3.63Å; L517-F524 HydrophobicContact CD1-CE1 4.39Å; L517-F524 HydrophobicContact CD2-CZ 4.26Å; W519-F524 HydrophobicContact CE3-CE1 4.46Å; W519-F524 HydrophobicContact CE3-CE2 4.07Å; W519-F524 AromaticContact CE3-CZ 3.64Å; W519-F524 HydrophobicContact CE3-CZ 3.64Å; W519-F524 HydrophobicContact CZ3-CE1 4.15Å; W519-F524 HydrophobicContact CZ3-CE2 4.22Å; W519-F524 AromaticContact CZ3-CZ 3.73Å; W519-F524 HydrophobicContact CZ3-CZ 3.73Å; S522-F524 VanDerWaalsContact O-CD2 3.29Å; S522-F524 WeakPolarHBondContact O-CD2 3.45Å; S522-F524 VanDerWaalsContact O-CE2 3.29Å; S522-F524 WeakPolarHBondContact O-CE2 3.34Å
525	K	80.9	Confident	80.3	Confident	88 Å²	88	63.6 Å²	63.6	38%	0.383	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.4	164.6	-58.2	172.7	-168.7	149.5	0	107.8	A350 L351 E462 Y527	A350-K525 CarbonylContact C-O 3.46Å; A350-K525 VanDerWaalsContact CA-O 3.22Å; A350-K525 WeakPolarHBondContact CA-O 3.5Å; L351-K525 HydrophobicContact CB-CB 4.3Å; L351-K525 PolarHBondContact N-O 3.09Å; L351-K525 PolarHBondContact O-N 2.77Å; E462-K525 IonicContact OE1-NZ 3.85Å; E462-K525 PolarHBondContact OE1-NZ 3.18Å; K525-Y527 HydrophobicContact CB-CE2 3.54Å; K525-Y527 WeakPolarHBondContact CD-OH 3.26Å
526	M	81.9	Confident	79.4	Confident	78 Å²	78	64.1 Å²	64.1	38%	0.384	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.2	-177.1	-66.6	176.1	-65	0	0	110.6	L339 A350 V530 L532	L339-M526 HydrophobicContact CD2-CG 4.15Å; L339-M526 HydrophobicContact CD2-SD 3.57Å; L339-M526 VanDerWaalsContact CD2-SD 3.57Å; A350-M526 HydrophobicContact CB-CG 4.3Å; M526-V530 HydrophobicContact CB-CB 4.22Å; M526-V530 HydrophobicContact CG-CB 4.48Å; M526-V530 HydrophobicContact CG-CG1 4.25Å; M526-V530 HydrophobicContact SD-CG1 4.17Å; M526-L532 HydrophobicContact CE-CD1 3.79Å; M526-L532 HydrophobicContact CE-CD2 4.18Å; M526-L532 HydrophobicContact CE-CG 3.79Å; M526-L532 HydrophobicContact SD-CD1 4.48Å; M526-L532 HydrophobicContact SD-CD2 3.78Å; M526-L532 HydrophobicContact SD-CG 3.87Å
527	Y	77.2	Confident	78.5	Confident	81 Å²	81	64.9 Å²	64.9	32%	0.318	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.3	-176.1	-63.1	-90.1	0	0	0	111.4	V347 S348 Y349 L351 K525 G529 V530	V347-Y527 CarbonylContact O-C 3.19Å; S348-Y527 WeakPolarHBondContact CA-O 3.48Å; Y349-Y527 AromaticContact CD2-CD2 3.81Å; Y349-Y527 HydrophobicContact CD2-CD2 3.81Å; Y349-Y527 HydrophobicContact CD2-CG 4.32Å; Y349-Y527 HydrophobicContact CE1-CG 4.45Å; Y349-Y527 AromaticContact CE2-CD2 3.35Å; Y349-Y527 HydrophobicContact CE2-CD2 3.35Å; Y349-Y527 AromaticContact CE2-CE2 4Å; Y349-Y527 HydrophobicContact CE2-CE2 4Å; Y349-Y527 AromaticContact CE2-CG 3.7Å; Y349-Y527 HydrophobicContact CE2-CG 3.7Å; Y349-Y527 AromaticContact CZ-CD2 3.94Å; Y349-Y527 AromaticContact CZ-CG 3.78Å; Y349-Y527 PolarHBondContact N-O 3.48Å; Y349-Y527 PolarHBondContact O-N 2.93Å; L351-Y527 HydrophobicContact CB-CE2 4.37Å; L351-Y527 HydrophobicContact CD1-CD2 4.14Å; L351-Y527 HydrophobicContact CD1-CE2 3.33Å; L351-Y527 HydrophobicContact CG-CD2 4.12Å; L351-Y527 HydrophobicContact CG-CE2 3.65Å; K525-Y527 HydrophobicContact CB-CE2 3.54Å; K525-Y527 WeakPolarHBondContact CD-OH 3.26Å; Y527-G529 VanDerWaalsContact C-N 3.25Å; Y527-G529 PolarHBondContact O-N 3.22Å; Y527-G529 VanDerWaalsContact O-N 3.1Å; Y527-V530 WeakPolarHBondContact O-CG2 3.3Å; Y527-V530 PolarHBondContact O-N 2.79Å
528	G	73.3	Confident	77.4	Confident	39 Å²	39	67.1 Å²	67.1	40%	0.402	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	31.2	171.4	0	0	0	0	0	116	V347 S348	V347-G528 VanDerWaalsContact O-CA 3.24Å; V347-G528 WeakPolarHBondContact O-CA 3.19Å; V347-G528 PolarHBondContact O-N 3.07Å; S348-G528 PolarHBondContact OG-O 3.37Å
529	G	73.2	Confident	75.7	Confident	55 Å²	55	72.4 Å²	72.4	57%	0.567	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	17.6	175	0	0	0	0	0	115.3	Y527 Q531	Y527-G529 VanDerWaalsContact C-N 3.25Å; Y527-G529 PolarHBondContact O-N 3.22Å; Y527-G529 VanDerWaalsContact O-N 3.1Å; G529-Q531 WeakPolarHBondContact O-CG 3.48Å; G529-Q531 PolarHBondContact O-N 2.82Å
530	V	83.3	Confident	75.2	Confident	13 Å²	13	75.1 Å²	75.1	8%	0.079	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-57.7	123.8	165.8	176.5	0	0	0	0	109	L339 F341 M526 Y527	L339-V530 HydrophobicContact CB-CG1 4.12Å; L339-V530 HydrophobicContact CD2-CG1 3.96Å; F341-V530 HydrophobicContact CD1-CG2 3.74Å; F341-V530 HydrophobicContact CE1-CG2 3.62Å; F341-V530 HydrophobicContact CE2-CG1 4.32Å; F341-V530 HydrophobicContact CG-CG2 4.39Å; F341-V530 HydrophobicContact CZ-CG1 4.26Å; F341-V530 HydrophobicContact CZ-CG2 4.16Å; M526-V530 HydrophobicContact CB-CB 4.22Å; M526-V530 HydrophobicContact CG-CB 4.48Å; M526-V530 HydrophobicContact CG-CG1 4.25Å; M526-V530 HydrophobicContact SD-CG1 4.17Å; Y527-V530 WeakPolarHBondContact O-CG2 3.3Å; Y527-V530 PolarHBondContact O-N 2.79Å
531	Q	83.2	Confident	75.2	Confident	90 Å²	90	76.8 Å²	76.8	42%	0.421	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	151.7	-176.5	-65	175.8	15.9	0	0	111.1	N340 E342 G529	N340-Q531 HydrophobicContact CB-CB 4.32Å; N340-Q531 PolarHBondContact N-O 3.45Å; N340-Q531 PolarHBondContact O-N 3.41Å; E342-Q531 PolarHBondContact OE1-NE2 2.95Å; E342-Q531 PolarHBondContact OE1-OE1 3.43Å; E342-Q531 PolarHBondContact OE2-NE2 2.79Å; G529-Q531 WeakPolarHBondContact O-CG 3.48Å; G529-Q531 PolarHBondContact O-N 2.82Å
532	L	83.4	Confident	75	Confident	90 Å²	90	75.8 Å²	75.8	47%	0.471	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.4	167.5	-67.8	170.5	0	0	0	109.2	L337 V338 L339 M526	L337-L532 HydrophobicContact CB-CD2 3.99Å; L337-L532 HydrophobicContact CD2-CB 4.21Å; L337-L532 HydrophobicContact CD2-CD1 3.51Å; L337-L532 HydrophobicContact CD2-CD2 3.64Å; L337-L532 HydrophobicContact CD2-CG 3.97Å; L337-L532 HydrophobicContact CG-CD2 4.4Å; V338-L532 CarbonylContact O-C 3.44Å; V338-L532 WeakPolarHBondContact O-CA 3.46Å; L339-L532 HydrophobicContact CD2-CD2 3.93Å; M526-L532 HydrophobicContact CE-CD1 3.79Å; M526-L532 HydrophobicContact CE-CD2 4.18Å; M526-L532 HydrophobicContact CE-CG 3.79Å; M526-L532 HydrophobicContact SD-CD1 4.48Å; M526-L532 HydrophobicContact SD-CD2 3.78Å; M526-L532 HydrophobicContact SD-CG 3.87Å
533	D	78.1	Confident	74.9	Confident	41 Å²	41	78.2 Å²	78.2	22%	0.219	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	153.8	176.4	-160.7	-32.8	0	0	0	109.8	P336 V338 N340 K484 Q535	P336-D533 VanDerWaalsContact O-O 3.11Å; V338-D533 HydrophobicContact CB-CB 4.11Å; V338-D533 HydrophobicContact CG1-CB 4.38Å; V338-D533 PolarHBondContact N-O 3.18Å; V338-D533 PolarHBondContact O-N 2.87Å; N340-D533 HydrophobicContact CB-CB 4.38Å; K484-D533 VanDerWaalsContact CE-OD2 3.31Å; K484-D533 WeakPolarHBondContact CE-OD2 3.3Å; K484-D533 IonicContact NZ-OD2 3.6Å; K484-D533 PolarHBondContact NZ-OD2 2.94Å; D533-Q535 PolarHBondContact OD1-N 3.15Å
534	N	71.4	Confident	74.8	Confident	136 Å²	136	69.6 Å²	69.6	73%	0.727	38%	0.383	S	S	*	.			trans	-99.3	2.4	175.7	67.9	4.7	0	0	0	112.8	Y536	N534-Y536 PolarHBondContact O-N 2.94Å
535	Q	69.6	Low	74.6	Confident	52 Å²	52	70.7 Å²	70.7	24%	0.243	39%	0.393	C	S	.	.			trans	-58.3	121.5	178.5	-173.1	178.4	0.4	0	0	110.5	V338 D533	V338-Q535 WeakPolarHBondContact CG2-O 3.25Å; D533-Q535 PolarHBondContact OD1-N 3.15Å
536	Y	71.1	Confident	74.2	Confident	96 Å²	96	69.5 Å²	69.5	38%	0.376	39%	0.394	S	S	.	.			trans	-82.5	134	177.9	-172.4	-123.4	0	0	0	110.8	P336 C506 N534 C538 S539	P336-Y536 HydrophobicContact CG-CD2 3.71Å; P336-Y536 HydrophobicContact CG-CE2 4.34Å; C506-Y536 PolarHBondContact O-OH 3.15Å; N534-Y536 PolarHBondContact O-N 2.94Å; Y536-C538 HydrophobicContact CD1-CB 3.86Å; Y536-C538 HydrophobicContact CE1-CB 3.47Å; Y536-C538 VanDerWaalsContact CE1-CB 3.47Å; Y536-C538 PolarHBondContact O-N 3.37Å; Y536-S539 WeakPolarHBondContact O-CB 3.42Å; Y536-S539 PolarHBondContact O-N 3.31Å; Y536-S539 PolarHBondContact O-OG 2.83Å
537	R	71.8	Confident	73.6	Confident	29 Å²	29	68.8 Å²	68.8	11%	0.109	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-10.6	-177.2	72.2	-174	-166.6	-175.8	7.6	115.1	H367 W423 T486 D487 Q503 L505	H367-R537 PolarHBondContact CE1-NH1 3.16Å; H367-R537 PolarHBondContact ND1-NH1 3.28Å; W423-R537 HydrophobicContact CB-CB 4.47Å; W423-R537 HydrophobicContact CD2-CB 3.76Å; W423-R537 HydrophobicContact CE3-CB 4.21Å; W423-R537 HydrophobicContact CG-CB 3.9Å; W423-R537 HydrophobicContact CZ2-CB 4.47Å; T486-R537 HydrophobicContact CG2-CB 4.1Å; D487-R537 IonicContact OD1-NH1 3.11Å; D487-R537 VanDerWaalsContact OD2-CD 3.29Å; D487-R537 WeakPolarHBondContact OD2-CD 3.48Å; D487-R537 IonicContact OD2-CZ 3.91Å; D487-R537 IonicContact OD2-NE 3.85Å; D487-R537 IonicContact OD2-NH1 3.17Å; D487-R537 PolarHBondContact OD2-NH1 2.76Å; Q503-R537 PolarHBondContact O-NH2 2.76Å; L505-R537 PolarHBondContact O-NH2 3.47Å
538	C	67.4	Low	73.3	Confident	48 Å²	48	67.8 Å²	67.8	32%	0.324	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	26.3	179.7	-47.9	0	0	0	0	112.9	C506 Y536	C506-C538 HydrophobicContact CB-CB 3.64Å; C506-C538 WeakPolarHBondContact CB-SG 3.2Å; C506-C538 WeakPolarHBondContact SG-CB 3.4Å; C506-C538 CovalentContact SG-SG 2.01Å; C506-C538 PolarHBondContact SG-SG 2.91Å; Y536-C538 HydrophobicContact CD1-CB 3.86Å; Y536-C538 HydrophobicContact CE1-CB 3.47Å; Y536-C538 VanDerWaalsContact CE1-CB 3.47Å; Y536-C538 PolarHBondContact O-N 3.37Å
539	S	54	Low	73.3	Confident	125 Å²	125	70.5 Å²	70.5	87%	0.874	40%	0.401	S	S	*	.			trans	-78.6	0	176	63.5	0	0	0	0	113.1	Y536	Y536-S539 WeakPolarHBondContact O-CB 3.42Å; Y536-S539 PolarHBondContact O-N 3.31Å; Y536-S539 PolarHBondContact O-OG 2.83Å

Retrieved 539 of 539 residues in 673.7 ms (Link to these results)

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