A0A087YST5_POEFO Loading...

Insulin like growth factor binding protein acid labile subunit

AlphaFold DB , UniProt , Accession A0A087YST5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 577 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	31.7	Very low	27.9	Very low	237 Å²	237	149.5 Å²	149.5	100%	1.167	77%	0.773	S	S	*	*				0	104.2	0	-88.6	178.6	160.8	0	0	108.9
2	H	26.3	Very low	27.9	Very low	176 Å²	176	150.8 Å²	150.8	82%	0.815	78%	0.781	S	S	*	*				156.1	101.8	128.6	-88.1	-12.5	0	0	0	110.9
3	T	28.5	Very low	27.8	Very low	101 Å²	101	145 Å²	145	62%	0.62	78%	0.78	S	S	*	*				88.5	101.2	88.3	-10.8	0	0	0	0	111.5
4	I	31.7	Very low	27.8	Very low	127 Å²	127	142.1 Å²	142.1	65%	0.651	79%	0.786	S	S	*	*				90.5	135	91.8	-75.7	179.4	0	0	0	112.3	L6	I4-L6 HydrophobicContact CG2-CD1 4.47Å
5	I	27.6	Very low	28	Very low	171 Å²	171	141.1 Å²	141.1	88%	0.877	79%	0.793	S	S	*	*				-146.2	120.3	121.9	-89.1	153	0	0	0	108.7
6	L	28.2	Very low	28	Very low	113 Å²	113	138.1 Å²	138.1	59%	0.592	79%	0.791	S	S	*	*			trans	-76	157.8	167.2	-115.8	93.8	0	0	0	110.2	I4 E8	I4-L6 HydrophobicContact CG2-CD1 4.47Å; L6-E8 HydrophobicContact CD2-CG 4.06Å
7	L	24.4	Very low	28.1	Very low	174 Å²	174	137.9 Å²	137.9	91%	0.911	79%	0.793	S	S	*	*			trans	-143.8	120.7	139.1	-138.8	86.8	0	0	0	110
8	E	26.9	Very low	28.5	Very low	141 Å²	141	139.6 Å²	139.6	66%	0.659	80%	0.798	S	S	*	*			trans	-101.1	157.1	169.8	-87.9	-168	173.8	0	0	111	L6	L6-E8 HydrophobicContact CD2-CG 4.06Å
9	L	27.5	Very low	28.6	Very low	155 Å²	155	138.4 Å²	138.4	81%	0.812	80%	0.796	S	S	*	*			trans	178.9	107.6	132.4	-94.3	141.7	0	0	0	107.6
10	L	26.8	Very low	28.8	Very low	138 Å²	138	139.4 Å²	139.4	72%	0.723	80%	0.798	S	S	*	*				57.5	135.7	97.1	-70.4	155.9	0	0	0	113.8
11	V	27.8	Very low	29.7	Very low	111 Å²	111	137.8 Å²	137.8	67%	0.673	79%	0.793	S	S	*	*			cis	-177.2	167.8	1.4	123.4	0	0	0	0	109.8
12	L	27.8	Very low	30.1	Very low	166 Å²	166	134.3 Å²	134.3	87%	0.869	78%	0.779	S	S	*	*			trans	86.7	106	158.9	-83.5	157.9	0	0	0	121.6
13	G	26	Very low	30.6	Very low	75 Å²	75	132.6 Å²	132.6	77%	0.773	78%	0.781	S	S	*	*				92.5	108	110.5	0	0	0	0	0	119.8
14	A	27.5	Very low	31.2	Very low	105 Å²	105	132.5 Å²	132.5	87%	0.868	79%	0.791	S	S	*	*				163	137.9	122.1	0	0	0	0	0	111.8
15	S	31.2	Very low	31.3	Very low	126 Å²	126	129.8 Å²	129.8	88%	0.881	79%	0.794	S	S	*	*			trans	-57.9	139.4	178.8	-55.5	0	0	0	0	114.2
16	A	28.7	Very low	31.7	Very low	93 Å²	93	129 Å²	129	77%	0.769	79%	0.792	S	S	*	*			trans	-151.4	101.5	154.7	0	0	0	0	0	111.3
17	V	29.6	Very low	32.1	Very low	136 Å²	136	132.9 Å²	132.9	82%	0.824	80%	0.804	S	S	*	*			trans	40.8	110.9	135.9	-171.7	0	0	0	0	118.2
18	L	33.8	Very low	32.8	Very low	167 Å²	167	130.4 Å²	130.4	87%	0.874	80%	0.796	S	S	*	*			trans	-68.6	142.9	154.2	-76.8	156.9	0	0	0	110.6
19	P	32	Very low	33.4	Very low	117 Å²	117	129.5 Å²	129.5	76%	0.76	80%	0.8	S	S	*	*			trans	-104.6	139.9	145.3	11.1	8.3	0	0	0	110.8
20	D	32.7	Very low	34.6	Very low	159 Å²	159	130.1 Å²	130.1	85%	0.85	80%	0.799	S	S	*	*			trans	-62.2	163.7	176.7	-102	-33.8	0	0	0	114
21	P	46.4	Very low	36.1	Very low	105 Å²	105	130.5 Å²	130.5	68%	0.682	80%	0.801	S	S	*	*			trans	-88.2	127.3	-165.7	34.8	-31	0	0	0	111.2
22	D	40.5	Very low	38.1	Very low	164 Å²	164	130.8 Å²	130.8	88%	0.877	81%	0.806	S	S	*	*			trans	-166	89.4	151.5	-97.8	-27.3	0	0	0	108.9
23	T	37.7	Very low	40.5	Very low	140 Å²	140	125.8 Å²	125.8	86%	0.859	78%	0.779	S	S	*	*			trans	-136	116.3	151.7	30.1	0	0	0	0	107.9	G25	T23-G25 PolarHBondContact O-N 3.45Å; T23-G25 VanDerWaalsContact O-N 3.13Å
24	A	40.3	Very low	43.2	Very low	99 Å²	99	127 Å²	127	82%	0.818	77%	0.774	S	S	*	*			trans	-45.9	115.2	173.7	0	0	0	0	0	110.2	D26	A24-D26 PolarHBondContact O-N 3Å
25	G	34.8	Very low	46.2	Very low	71 Å²	71	124.2 Å²	124.2	73%	0.732	75%	0.747	S	S	*	*			trans	-65.7	113	167.3	0	0	0	0	0	108.6	T23 K27	T23-G25 PolarHBondContact O-N 3.45Å; T23-G25 VanDerWaalsContact O-N 3.13Å; G25-K27 PolarHBondContact O-N 2.95Å
26	D	34.7	Very low	49.1	Very low	155 Å²	155	118.3 Å²	118.3	83%	0.829	71%	0.706	S	S	*	*			trans	-52.9	102.4	164	-85	-37.2	0	0	0	108.6	A24 V28	A24-D26 PolarHBondContact O-N 3Å; D26-V28 PolarHBondContact O-N 3.07Å
27	K	36.3	Very low	51.8	Low	193 Å²	193	122.6 Å²	122.6	84%	0.839	71%	0.707	S	S	*	*			trans	-64.5	96.4	158.1	-82.1	-177.5	175.6	179.3	0	105.9	G25 T29	G25-K27 PolarHBondContact O-N 2.95Å; K27-T29 VanDerWaalsContact C-N 3.29Å; K27-T29 PolarHBondContact O-N 2.92Å
28	V	39.4	Very low	54.5	Low	122 Å²	122	118.3 Å²	118.3	74%	0.739	69%	0.691	S	S	*	*			trans	-53.7	104.5	158.1	178.9	0	0	0	0	105.5	D26 Q30	D26-V28 PolarHBondContact O-N 3.07Å; V28-Q30 PolarHBondContact O-N 2.63Å
29	T	40.6	Very low	57.4	Low	123 Å²	123	111.3 Å²	111.3	76%	0.755	66%	0.655	S	S	*	*			trans	-63	91.7	167.3	44.2	0	0	0	0	106.1	K27 D31	K27-T29 VanDerWaalsContact C-N 3.29Å; K27-T29 PolarHBondContact O-N 2.92Å; T29-D31 PolarHBondContact O-N 2.04Å; T29-D31 VanDerWaalsContact O-N 3.17Å
30	Q	52.4	Low	60.4	Low	168 Å²	168	110.2 Å²	110.2	79%	0.785	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-57	119.3	165.9	-80.7	176.3	-18.6	0	0	106.5	V28	V28-Q30 PolarHBondContact O-N 2.63Å
31	D	57.4	Low	63.4	Low	145 Å²	145	103.2 Å²	103.2	78%	0.775	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-50	136	170.6	-76.5	-43.1	0	0	0	108.5	T29 I33	T29-D31 PolarHBondContact O-N 2.04Å; T29-D31 VanDerWaalsContact O-N 3.17Å; D31-I33 PolarHBondContact O-N 3.3Å; D31-I33 VanDerWaalsContact O-N 3.11Å
32	P	69.9	Low	65.7	Low	117 Å²	117	102 Å²	102	76%	0.76	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-58.2	123	-176	21.6	-30.9	0	0	0	109.3	P34	P32-P34 VanDerWaalsContact O-CD 3.3Å; P32-P34 WeakPolarHBondContact O-CD 3.47Å; P32-P34 VanDerWaalsContact O-N 3.07Å
33	I	77.9	Confident	68.2	Low	61 Å²	61	98.3 Å²	98.3	31%	0.313	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-53.2	117.9	177.5	-60.2	170.4	0	0	0	107.3	D31 C35 C41 L50	D31-I33 PolarHBondContact O-N 3.3Å; D31-I33 VanDerWaalsContact O-N 3.11Å; I33-C35 PolarHBondContact O-N 2.93Å; I33-C35 VanDerWaalsContact O-N 3.16Å; I33-C41 HydrophobicContact CG2-CB 3.87Å; I33-L50 HydrophobicContact CG2-CD1 3.83Å
34	P	83.9	Confident	70.5	Confident	101 Å²	101	94 Å²	94	66%	0.656	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-57.6	124.6	177.1	-21	31.3	0	0	0	108.4	P32 P67	P32-P34 VanDerWaalsContact O-CD 3.3Å; P32-P34 WeakPolarHBondContact O-CD 3.47Å; P32-P34 VanDerWaalsContact O-N 3.07Å; P34-P67 WeakPolarHBondContact O-CG 3.39Å
35	C	90.1	Very high	72.4	Confident	47 Å²	47	96 Å²	96	32%	0.318	54%	0.539	S	S	.	.			trans	-137.7	143.5	-175.6	-162	0	0	0	0	111.4	I33 N40 C41	I33-C35 PolarHBondContact O-N 2.93Å; I33-C35 VanDerWaalsContact O-N 3.16Å; C35-N40 VanDerWaalsContact SG-C 3.57Å; C35-C41 WeakPolarHBondContact CA-SG 3Å; C35-C41 HydrophobicContact CB-CB 3.64Å; C35-C41 WeakPolarHBondContact CB-SG 3.43Å; C35-C41 WeakPolarHBondContact SG-CB 3.3Å; C35-C41 PolarHBondContact SG-N 3Å; C35-C41 CovalentContact SG-SG 2.04Å; C35-C41 PolarHBondContact SG-SG 2.69Å
36	A	91	Very high	74.7	Confident	2 Å²	2	103 Å²	103	2%	0.017	55%	0.545	C	S	.	.			trans	-62.4	142.7	176.2	0	0	0	0	0	111.2	G38 C39 P63 D65 I66	A36-G38 PolarHBondContact O-N 2.99Å; A36-C39 HydrophobicContact CB-CB 4.28Å; A36-C39 WeakPolarHBondContact O-CB 3.15Å; A36-C39 PolarHBondContact O-N 2.95Å; A36-P63 HydrophobicContact CB-CB 3.9Å; A36-D65 WeakPolarHBondContact CA-OD2 3.29Å; A36-D65 WeakPolarHBondContact CB-OD1 3.41Å; A36-I66 HydrophobicContact CB-CG1 4.06Å
37	K	87.3	Confident	77	Confident	183 Å²	183	97.9 Å²	97.9	80%	0.796	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	125.8	-179.3	-72.3	-178.4	-176.9	177.6	0	111.8	C39 D65	K37-C39 VanDerWaalsContact C-N 3.28Å; K37-D65 PolarHBondContact N-OD2 2.95Å
38	G	86.1	Confident	79.3	Confident	46 Å²	46	94 Å²	94	47%	0.474	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-1.4	178.5	0	0	0	0	0	114.6	A36 R57	A36-G38 PolarHBondContact O-N 2.99Å; G38-R57 WeakPolarHBondContact O-CD 3.46Å; G38-R57 PolarHBondContact O-NE 3.06Å; G38-R57 PolarHBondContact O-NH1 3.35Å
39	C	95.1	Very high	81.9	Confident	19 Å²	19	90.9 Å²	90.9	13%	0.128	49%	0.491	C	S	.	.			trans	-101.2	165.6	172.9	-55.8	0	0	0	0	111.3	A36 K37 V52 Y53 C54	A36-C39 HydrophobicContact CB-CB 4.28Å; A36-C39 WeakPolarHBondContact O-CB 3.15Å; A36-C39 PolarHBondContact O-N 2.95Å; K37-C39 VanDerWaalsContact C-N 3.28Å; C39-V52 HydrophobicContact CB-CG1 4.14Å; C39-Y53 CarbonylContact C-O 2.97Å; C39-Y53 VanDerWaalsContact CA-O 3.27Å; C39-Y53 WeakPolarHBondContact CA-O 3.48Å; C39-Y53 WeakPolarHBondContact CB-O 3.37Å; C39-C54 HydrophobicContact CB-CB 4.13Å; C39-C54 WeakPolarHBondContact CB-SG 3.35Å; C39-C54 WeakPolarHBondContact SG-CB 3.34Å; C39-C54 CovalentContact SG-SG 2.03Å; C39-C54 PolarHBondContact SG-SG 3.26Å
40	N	95	Very high	84.5	Confident	95 Å²	95	85.3 Å²	85.3	51%	0.508	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.9	171.2	-168	1.4	0	0	0	109.2	C35 Y53	C35-N40 VanDerWaalsContact SG-C 3.57Å; N40-Y53 PolarHBondContact N-O 2.97Å; N40-Y53 PolarHBondContact O-N 3.16Å
41	C	95.3	Very high	86.6	Confident	12 Å²	12	78.1 Å²	78.1	8%	0.081	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.6	-176.1	-61.8	0	0	0	0	109.8	I33 C35 L50 I51	I33-C41 HydrophobicContact CG2-CB 3.87Å; C35-C41 WeakPolarHBondContact CA-SG 3Å; C35-C41 HydrophobicContact CB-CB 3.64Å; C35-C41 WeakPolarHBondContact CB-SG 3.43Å; C35-C41 WeakPolarHBondContact SG-CB 3.3Å; C35-C41 PolarHBondContact SG-N 3Å; C35-C41 CovalentContact SG-SG 2.04Å; C35-C41 PolarHBondContact SG-SG 2.69Å; C41-L50 HydrophobicContact CB-CD1 4.3Å; C41-I51 WeakPolarHBondContact CA-O 3.3Å
42	M	93.8	Very high	88.5	Confident	79 Å²	79	71.2 Å²	71.2	39%	0.389	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.3	178.3	64.1	-174	-60.5	0	0	110.7	I51 Y53	M42-I51 HydrophobicContact CG-CB 4.27Å; M42-I51 PolarHBondContact N-O 2.99Å; M42-I51 PolarHBondContact O-N 3.26Å; M42-Y53 HydrophobicContact CG-CD2 4.48Å; M42-Y53 HydrophobicContact CG-CE2 3.96Å; M42-Y53 HydrophobicContact SD-CD2 4.4Å; M42-Y53 HydrophobicContact SD-CE2 3.69Å
43	H	92.4	Very high	89.8	Confident	87 Å²	87	69.5 Å²	69.5	40%	0.403	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	142.9	168	-72	-81.5	0	0	0	109.6	T48 E49	H43-T48 PolarHBondContact ND1-O 3.39Å; H43-E49 CarbonylContact C-O 3.52Å; H43-E49 WeakPolarHBondContact CA-O 3.1Å
44	D	86.9	Confident	90.7	Very high	50 Å²	50	66.6 Å²	66.6	27%	0.267	35%	0.35	S	S	.	.			trans	-64.7	132.6	168.6	-180	78.7	0	0	0	110.4	Y46 S47 T48 E49 I51	D44-Y46 PolarHBondContact O-N 2.89Å; D44-Y46 VanDerWaalsContact O-N 3.12Å; D44-Y46 PolarHBondContact OD2-N 3.21Å; D44-S47 WeakPolarHBondContact CB-OG 3.48Å; D44-S47 WeakPolarHBondContact OD2-CB 3.28Å; D44-S47 PolarHBondContact OD2-N 3.29Å; D44-S47 PolarHBondContact OD2-OG 3.17Å; D44-T48 WeakPolarHBondContact O-CA 2.88Å; D44-T48 PolarHBondContact O-N 3.41Å; D44-E49 PolarHBondContact N-O 3.03Å; D44-I51 HydrophobicContact CB-CD1 4.1Å
45	D	80.6	Confident	91.4	Very high	140 Å²	140	63.4 Å²	63.4	75%	0.749	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-19.9	-172.6	-68.6	-32.7	0	0	0	113.3
46	Y	83.4	Confident	91.7	Very high	219 Å²	219	64.5 Å²	64.5	86%	0.859	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.9	-35.8	-174	-59.1	-80.9	0	0	0	113.1	D44	D44-Y46 PolarHBondContact O-N 2.89Å; D44-Y46 VanDerWaalsContact O-N 3.12Å; D44-Y46 PolarHBondContact OD2-N 3.21Å
47	S	83	Confident	91.9	Very high	46 Å²	46	70.8 Å²	70.8	32%	0.322	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-11.4	-172.8	61.5	0	0	0	0	113.4	D44 E49	D44-S47 WeakPolarHBondContact CB-OG 3.48Å; D44-S47 WeakPolarHBondContact OD2-CB 3.28Å; D44-S47 PolarHBondContact OD2-N 3.29Å; D44-S47 PolarHBondContact OD2-OG 3.17Å; S47-E49 PolarHBondContact O-N 3.05Å; S47-E49 VanDerWaalsContact O-N 3.16Å; S47-E49 WeakPolarHBondContact OG-CG 3.43Å
48	T	84.7	Confident	92.3	Very high	111 Å²	111	67.8 Å²	67.8	68%	0.681	36%	0.358	S	S	*	.			trans	59.3	12.1	-171.3	68	0	0	0	0	114.5	H43 D44	H43-T48 PolarHBondContact ND1-O 3.39Å; D44-T48 WeakPolarHBondContact O-CA 2.88Å; D44-T48 PolarHBondContact O-N 3.41Å
49	E	92.8	Very high	92.8	Very high	58 Å²	58	67.2 Å²	67.2	27%	0.271	35%	0.345	S	S	.	.			trans	-70.8	137.9	178.5	-68.2	176.1	163.4	0	0	110.7	H43 D44 S47 I51 H71 Y72	H43-E49 CarbonylContact C-O 3.52Å; H43-E49 WeakPolarHBondContact CA-O 3.1Å; D44-E49 PolarHBondContact N-O 3.03Å; S47-E49 PolarHBondContact O-N 3.05Å; S47-E49 VanDerWaalsContact O-N 3.16Å; S47-E49 WeakPolarHBondContact OG-CG 3.43Å; E49-I51 PolarHBondContact O-N 3.11Å; E49-H71 HydrophobicContact CB-CB 4.01Å; E49-H71 HydrophobicContact CG-CB 4.47Å; E49-Y72 HydrophobicContact CB-CD2 4.5Å; E49-Y72 HydrophobicContact CB-CE2 3.91Å; E49-Y72 WeakPolarHBondContact OE2-CE2 3.03Å; E49-Y72 VanDerWaalsContact OE2-CZ 3.3Å; E49-Y72 PolarHBondContact OE2-OH 2.67Å
50	L	95.4	Very high	92.8	Very high	6 Å²	6	71 Å²	71	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.7	-178.2	-179.2	65.4	0	0	0	111	I33 C41 V52 P67 S69 H71 Y72	I33-L50 HydrophobicContact CG2-CD1 3.83Å; C41-L50 HydrophobicContact CB-CD1 4.3Å; L50-V52 HydrophobicContact CG-CG2 4.33Å; L50-P67 HydrophobicContact CD2-CB 3.69Å; L50-P67 HydrophobicContact CD2-CG 4.07Å; L50-S69 WeakPolarHBondContact CD2-OG 3.25Å; L50-H71 PolarHBondContact O-N 3.43Å; L50-Y72 PolarHBondContact O-N 2.83Å
51	I	96.9	Very high	92.8	Very high	16 Å²	16	73.9 Å²	73.9	8%	0.082	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.3	175.9	-51.7	173.8	0	0	0	109.4	C41 M42 D44 E49 Y53 Y72	C41-I51 WeakPolarHBondContact CA-O 3.3Å; M42-I51 HydrophobicContact CG-CB 4.27Å; M42-I51 PolarHBondContact N-O 2.99Å; M42-I51 PolarHBondContact O-N 3.26Å; D44-I51 HydrophobicContact CB-CD1 4.1Å; E49-I51 PolarHBondContact O-N 3.11Å; I51-Y53 HydrophobicContact CB-CE2 4.1Å; I51-Y53 HydrophobicContact CG2-CD2 3.89Å; I51-Y53 HydrophobicContact CG2-CE1 4.12Å; I51-Y53 HydrophobicContact CG2-CE2 3.28Å; I51-Y53 VanDerWaalsContact CG2-CZ 3.42Å; I51-Y72 HydrophobicContact CG1-CD2 3.81Å; I51-Y72 HydrophobicContact CG1-CG 4.29Å
52	V	97.3	Very high	92.8	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	118.5	178.7	-178.8	0	0	0	0	110.2	C39 L50 T70 Y72 L73 W74	C39-V52 HydrophobicContact CB-CG1 4.14Å; L50-V52 HydrophobicContact CG-CG2 4.33Å; V52-T70 HydrophobicContact CB-CG2 3.98Å; V52-T70 HydrophobicContact CG2-CG2 3.55Å; V52-T70 VanDerWaalsContact CG2-OG1 3.3Å; V52-T70 WeakPolarHBondContact CG2-OG1 3.44Å; V52-Y72 PolarHBondContact N-O 3.4Å; V52-L73 HydrophobicContact CB-CD1 3.9Å; V52-L73 HydrophobicContact CG1-CD1 3.84Å; V52-W74 PolarHBondContact O-N 2.03Å
53	Y	97.7	Very high	92.8	Very high	82 Å²	82	71.6 Å²	71.6	32%	0.322	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	109.6	179.4	-65.2	-80.9	0	0	0	112	C39 N40 M42 I51 W74	C39-Y53 CarbonylContact C-O 2.97Å; C39-Y53 VanDerWaalsContact CA-O 3.27Å; C39-Y53 WeakPolarHBondContact CA-O 3.48Å; C39-Y53 WeakPolarHBondContact CB-O 3.37Å; N40-Y53 PolarHBondContact N-O 2.97Å; N40-Y53 PolarHBondContact O-N 3.16Å; M42-Y53 HydrophobicContact CG-CD2 4.48Å; M42-Y53 HydrophobicContact CG-CE2 3.96Å; M42-Y53 HydrophobicContact SD-CD2 4.4Å; M42-Y53 HydrophobicContact SD-CE2 3.69Å; I51-Y53 HydrophobicContact CB-CE2 4.1Å; I51-Y53 HydrophobicContact CG2-CD2 3.89Å; I51-Y53 HydrophobicContact CG2-CE1 4.12Å; I51-Y53 HydrophobicContact CG2-CE2 3.28Å; I51-Y53 VanDerWaalsContact CG2-CZ 3.42Å; Y53-W74 HydrophobicContact CD1-CB 3.96Å; Y53-W74 AromaticContact CD1-CD1 3.57Å; Y53-W74 HydrophobicContact CD1-CD2 4.3Å; Y53-W74 AromaticContact CD1-CG 3.68Å; Y53-W74 HydrophobicContact CD1-CG 3.68Å; Y53-W74 AromaticContact CE1-CD1 3.48Å; Y53-W74 VanDerWaalsContact CE1-CD1 3.48Å; Y53-W74 HydrophobicContact CE1-CD2 4.09Å; Y53-W74 AromaticContact CE1-CE2 3.96Å; Y53-W74 AromaticContact CE1-CG 3.84Å; Y53-W74 HydrophobicContact CE1-CG 3.84Å; Y53-W74 AromaticContact CE1-NE1 3.55Å
54	C	97.1	Very high	92.7	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	39%	0.392	C	S	.	.			trans	-121	19.8	176.9	-56	0	0	0	0	112.2	C39 R57 L59 W74 L75 N78	C39-C54 HydrophobicContact CB-CB 4.13Å; C39-C54 WeakPolarHBondContact CB-SG 3.35Å; C39-C54 WeakPolarHBondContact SG-CB 3.34Å; C39-C54 CovalentContact SG-SG 2.03Å; C39-C54 PolarHBondContact SG-SG 3.26Å; C54-R57 WeakPolarHBondContact O-CG 3.37Å; C54-L59 HydrophobicContact CB-CD1 4.01Å; C54-W74 CarbonylContact C-O 3.51Å; C54-W74 VanDerWaalsContact CA-O 3.28Å; C54-W74 WeakPolarHBondContact CA-O 3Å; C54-W74 VanDerWaalsContact CB-O 3.29Å; C54-W74 WeakPolarHBondContact CB-O 3.28Å; C54-W74 PolarHBondContact N-O 3.41Å; C54-L75 HydrophobicContact CB-CD2 3.62Å; C54-L75 HydrophobicContact CB-CG 4.49Å; C54-N78 PolarHBondContact O-ND2 3.37Å
55	S	97.1	Very high	92.9	Very high	34 Å²	34	73.9 Å²	73.9	24%	0.238	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	141	-173.9	-46.5	0	0	0	0	113.3	R57 W74 D76	S55-R57 VanDerWaalsContact C-N 3.29Å; S55-R57 WeakPolarHBondContact O-CG 3.44Å; S55-R57 PolarHBondContact O-N 2.96Å; S55-W74 PolarHBondContact N-O 3.07Å; S55-W74 WeakPolarHBondContact OG-CB 3.42Å; S55-D76 CarbonylContact C-O 3.46Å; S55-D76 VanDerWaalsContact CA-O 3.24Å; S55-D76 WeakPolarHBondContact CA-O 3.34Å; S55-D76 VanDerWaalsContact CB-OD1 3.3Å; S55-D76 WeakPolarHBondContact CB-OD1 2.95Å; S55-D76 PolarHBondContact OG-OD1 3.22Å
56	A	96.6	Very high	93.6	Very high	70 Å²	70	68 Å²	68	58%	0.579	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.6	174.4	0	0	0	0	0	114.9	D76	A56-D76 PolarHBondContact N-O 2.67Å
57	R	95.6	Very high	94.2	Very high	134 Å²	134	58.1 Å²	58.1	51%	0.506	33%	0.33	S	S	.	.	S	Bend	trans	-99.9	11.6	-178.4	-64.6	-61.6	179.9	142.4	3	113.6	G38 C54 S55 L59 N78	G38-R57 WeakPolarHBondContact O-CD 3.46Å; G38-R57 PolarHBondContact O-NE 3.06Å; G38-R57 PolarHBondContact O-NH1 3.35Å; C54-R57 WeakPolarHBondContact O-CG 3.37Å; S55-R57 VanDerWaalsContact C-N 3.29Å; S55-R57 WeakPolarHBondContact O-CG 3.44Å; S55-R57 PolarHBondContact O-N 2.96Å; R57-L59 HydrophobicContact CB-CD1 4.18Å; R57-L59 HydrophobicContact CB-CD2 4.29Å; R57-L59 HydrophobicContact CB-CG 3.82Å; R57-L59 PolarHBondContact O-N 2.58Å; R57-N78 PolarHBondContact N-OD1 3.11Å
58	N	95.7	Very high	94.7	Very high	119 Å²	119	59.8 Å²	59.8	64%	0.636	34%	0.339	S	S	*	.			trans	55.3	29.6	-174.3	-63.9	-29.3	0	0	0	113.5	N78 L79	N58-N78 PolarHBondContact N-OD1 2.89Å; N58-L79 HydrophobicContact CB-CD1 3.94Å
59	L	95.8	Very high	95.2	Very high	35 Å²	35	57.4 Å²	57.4	18%	0.183	33%	0.327	C	S	.	.			trans	-69.7	134.9	-179.9	-59.6	172.6	0	0	0	110.3	C54 R57 P63 L75 N78 L79 F80	C54-L59 HydrophobicContact CB-CD1 4.01Å; R57-L59 HydrophobicContact CB-CD1 4.18Å; R57-L59 HydrophobicContact CB-CD2 4.29Å; R57-L59 HydrophobicContact CB-CG 3.82Å; R57-L59 PolarHBondContact O-N 2.58Å; L59-P63 HydrophobicContact CD1-CG 3.99Å; L59-L75 HydrophobicContact CD1-CD2 4.39Å; L59-N78 HydrophobicContact CB-CB 4.23Å; L59-N78 PolarHBondContact N-OD1 3.2Å; L59-L79 CarbonylContact O-C 3.22Å; L59-L79 WeakPolarHBondContact O-CA 3.17Å; L59-L79 WeakPolarHBondContact O-CB 3.42Å; L59-L79 PolarHBondContact O-N 3.49Å; L59-F80 HydrophobicContact CB-CE1 3.77Å; L59-F80 HydrophobicContact CB-CZ 3.83Å
60	T	95.6	Very high	95.4	Very high	97 Å²	97	54.7 Å²	54.7	60%	0.595	31%	0.314	S	S	*	.	S	Bend	trans	-102.3	-14.8	175.7	56.3	0	0	0	0	112.7	L79	T60-L79 HydrophobicContact CG2-CB 4.25Å
61	Q	94.6	Very high	95.5	Very high	156 Å²	156	56.7 Å²	56.7	73%	0.729	32%	0.323	S	S	*	.	S	Bend	trans	-140.4	150.6	176.4	-62.1	-176.9	1.5	0	0	110.1	F80	Q61-F80 WeakPolarHBondContact O-CE1 3.39Å
62	V	95.2	Very high	95.5	Very high	24 Å²	24	59 Å²	59	15%	0.145	33%	0.331	C	S	.	.			trans	-64	129	174.9	180	0	0	0	0	108.6	A64 I66 L75 L83 F88	V62-A64 PolarHBondContact O-N 3.28Å; V62-I66 HydrophobicContact CG1-CD1 3.8Å; V62-L75 HydrophobicContact CG1-CD1 4.37Å; V62-L83 HydrophobicContact CG2-CD2 3.78Å; V62-F88 HydrophobicContact CB-CE1 4.42Å; V62-F88 HydrophobicContact CG1-CD1 4.13Å; V62-F88 HydrophobicContact CG1-CE1 3.61Å; V62-F88 HydrophobicContact CG1-CZ 4.38Å; V62-F88 HydrophobicContact CG2-CE1 3.94Å; V62-F88 HydrophobicContact CG2-CZ 3.86Å
63	P	94.6	Very high	95.6	Very high	19 Å²	19	59 Å²	59	12%	0.123	33%	0.331	C	S	.	.			trans	-57.6	131.5	176.8	-23.5	32.4	0	0	0	111.7	A36 L59 D65 I66	A36-P63 HydrophobicContact CB-CB 3.9Å; L59-P63 HydrophobicContact CD1-CG 3.99Å; P63-D65 VanDerWaalsContact C-N 3.28Å; P63-D65 WeakPolarHBondContact CB-OD1 3.35Å; P63-D65 PolarHBondContact O-N 3.14Å; P63-I66 HydrophobicContact CB-CD1 4.41Å; P63-I66 HydrophobicContact CB-CG1 4.07Å; P63-I66 WeakPolarHBondContact O-CD1 3.43Å; P63-I66 WeakPolarHBondContact O-CG1 3.5Å
64	A	90.5	Very high	95.6	Very high	110 Å²	110	58.7 Å²	58.7	91%	0.909	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.9	-177.8	0	0	0	0	0	113.3	V62	V62-A64 PolarHBondContact O-N 3.28Å
65	D	91.9	Very high	95.6	Very high	76 Å²	76	58.7 Å²	58.7	41%	0.406	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	22.4	-174.9	58.2	-25.6	0	0	0	113.2	A36 K37 P63	A36-D65 WeakPolarHBondContact CA-OD2 3.29Å; A36-D65 WeakPolarHBondContact CB-OD1 3.41Å; K37-D65 PolarHBondContact N-OD2 2.95Å; P63-D65 VanDerWaalsContact C-N 3.28Å; P63-D65 WeakPolarHBondContact CB-OD1 3.35Å; P63-D65 PolarHBondContact O-N 3.14Å
66	I	95.3	Very high	95.7	Very high	15 Å²	15	58.7 Å²	58.7	8%	0.077	33%	0.327	C	S	.	.			trans	-67.5	129.5	173.8	-61.6	169.8	0	0	0	109.5	A36 V62 P63 L73 L91	A36-I66 HydrophobicContact CB-CG1 4.06Å; V62-I66 HydrophobicContact CG1-CD1 3.8Å; P63-I66 HydrophobicContact CB-CD1 4.41Å; P63-I66 HydrophobicContact CB-CG1 4.07Å; P63-I66 WeakPolarHBondContact O-CD1 3.43Å; P63-I66 WeakPolarHBondContact O-CG1 3.5Å; I66-L73 HydrophobicContact CD1-CD1 4.13Å; I66-L73 HydrophobicContact CD1-CD2 3.91Å; I66-L91 HydrophobicContact CB-CD2 4.27Å; I66-L91 HydrophobicContact CG2-CD1 4.13Å; I66-L91 HydrophobicContact CG2-CD2 3.75Å
67	P	95.1	Very high	95.8	Very high	13 Å²	13	56.7 Å²	56.7	8%	0.084	31%	0.313	C	S	.	.			trans	-59.1	131.7	179.5	-25.3	34.6	0	0	0	112.8	P34 L50 S69 T70	P34-P67 WeakPolarHBondContact O-CG 3.39Å; L50-P67 HydrophobicContact CD2-CB 3.69Å; L50-P67 HydrophobicContact CD2-CG 4.07Å; P67-S69 PolarHBondContact O-N 2.92Å; P67-S69 VanDerWaalsContact O-N 3.12Å; P67-T70 VanDerWaalsContact O-CB 3.32Å; P67-T70 WeakPolarHBondContact O-CB 3.45Å; P67-T70 PolarHBondContact O-N 3.15Å; P67-T70 VanDerWaalsContact O-N 3.08Å; P67-T70 PolarHBondContact O-OG1 2.83Å
68	P	94.3	Very high	95.9	Very high	81 Å²	81	50.4 Å²	50.4	53%	0.526	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-21.4	177.4	-28.4	36.9	0	0	0	115.2	T70	P68-T70 PolarHBondContact O-N 3.38Å
69	S	94.4	Very high	95.9	Very high	61 Å²	61	48 Å²	48	43%	0.427	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	2.2	177	52.9	0	0	0	0	114.3	L50 P67 H71	L50-S69 WeakPolarHBondContact CD2-OG 3.25Å; P67-S69 PolarHBondContact O-N 2.92Å; P67-S69 VanDerWaalsContact O-N 3.12Å; S69-H71 PolarHBondContact O-CE1 3.02Å; S69-H71 PolarHBondContact O-N 3.18Å; S69-H71 PolarHBondContact O-ND1 3.09Å
70	T	96.5	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	128.9	-179.9	-57.6	0	0	0	0	111.5	V52 P67 P68 Y72 L73 N93 L94	V52-T70 HydrophobicContact CB-CG2 3.98Å; V52-T70 HydrophobicContact CG2-CG2 3.55Å; V52-T70 VanDerWaalsContact CG2-OG1 3.3Å; V52-T70 WeakPolarHBondContact CG2-OG1 3.44Å; P67-T70 VanDerWaalsContact O-CB 3.32Å; P67-T70 WeakPolarHBondContact O-CB 3.45Å; P67-T70 PolarHBondContact O-N 3.15Å; P67-T70 VanDerWaalsContact O-N 3.08Å; P67-T70 PolarHBondContact O-OG1 2.83Å; P68-T70 PolarHBondContact O-N 3.38Å; T70-Y72 WeakPolarHBondContact CG2-O 3.37Å; T70-L73 HydrophobicContact CG2-CB 4.16Å; T70-N93 CarbonylContact O-C 3.57Å; T70-L94 HydrophobicContact CG2-CD1 3.82Å; T70-L94 WeakPolarHBondContact O-CA 3.33Å; T70-L94 PolarHBondContact O-N 2.61Å
71	H	97.2	Very high	96.1	Very high	48 Å²	48	45.4 Å²	45.4	22%	0.222	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-36	175.5	-72.1	67.3	0	0	0	111.9	E49 L50 S69 L94 D95 F96	E49-H71 HydrophobicContact CB-CB 4.01Å; E49-H71 HydrophobicContact CG-CB 4.47Å; L50-H71 PolarHBondContact O-N 3.43Å; S69-H71 PolarHBondContact O-CE1 3.02Å; S69-H71 PolarHBondContact O-N 3.18Å; S69-H71 PolarHBondContact O-ND1 3.09Å; H71-L94 WeakPolarHBondContact O-CD1 3.02Å; H71-D95 PolarHBondContact O-N 3.46Å; H71-F96 PolarHBondContact O-N 3.16Å
72	Y	97.9	Very high	96.2	Very high	64 Å²	64	40.9 Å²	40.9	25%	0.251	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.5	178.7	-53.6	-99.6	0	0	0	110.1	E49 L50 I51 V52 T70 F96	E49-Y72 HydrophobicContact CB-CD2 4.5Å; E49-Y72 HydrophobicContact CB-CE2 3.91Å; E49-Y72 WeakPolarHBondContact OE2-CE2 3.03Å; E49-Y72 VanDerWaalsContact OE2-CZ 3.3Å; E49-Y72 PolarHBondContact OE2-OH 2.67Å; L50-Y72 PolarHBondContact O-N 2.83Å; I51-Y72 HydrophobicContact CG1-CD2 3.81Å; I51-Y72 HydrophobicContact CG1-CG 4.29Å; V52-Y72 PolarHBondContact N-O 3.4Å; T70-Y72 WeakPolarHBondContact CG2-O 3.37Å; Y72-F96 HydrophobicContact CD1-CB 3.41Å; Y72-F96 VanDerWaalsContact CD1-CB 3.41Å; Y72-F96 HydrophobicContact CD1-CD1 4.25Å; Y72-F96 AromaticContact CD1-CG 3.94Å; Y72-F96 HydrophobicContact CD1-CG 3.94Å; Y72-F96 HydrophobicContact CE1-CB 4.04Å; Y72-F96 HydrophobicContact CG-CB 4.18Å
73	L	98.3	Very high	96.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	117.1	-178.7	179.5	57.5	0	0	0	111	V52 I66 T70 L75 F88 L91 L94 F96 L97 N98	V52-L73 HydrophobicContact CB-CD1 3.9Å; V52-L73 HydrophobicContact CG1-CD1 3.84Å; I66-L73 HydrophobicContact CD1-CD1 4.13Å; I66-L73 HydrophobicContact CD1-CD2 3.91Å; T70-L73 HydrophobicContact CG2-CB 4.16Å; L73-L75 HydrophobicContact CD1-CD1 4.31Å; L73-L75 HydrophobicContact CD1-CG 4.05Å; L73-L75 HydrophobicContact CD2-CD1 3.71Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD1 3.83Å; L73-L75 HydrophobicContact CG-CG 3.93Å; L73-F88 HydrophobicContact CD2-CD1 4.32Å; L73-F88 HydrophobicContact CD2-CE1 4.13Å; L73-L91 HydrophobicContact CD2-CD1 3.79Å; L73-L94 HydrophobicContact CB-CD1 3.56Å; L73-L94 HydrophobicContact CB-CD2 4.38Å; L73-L94 HydrophobicContact CD2-CD2 4.46Å; L73-F96 PolarHBondContact N-O 3.25Å; L73-L97 HydrophobicContact CB-CD1 4.17Å; L73-L97 HydrophobicContact CD2-CD1 3.95Å; L73-L97 HydrophobicContact CG-CD1 4.05Å; L73-N98 PolarHBondContact O-N 3.04Å
74	W	98.4	Very high	96.3	Very high	76 Å²	76	42.9 Å²	42.9	29%	0.288	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	112.1	177.7	-60.4	78.6	0	0	0	110.4	V52 Y53 C54 S55 F96 N98	V52-W74 PolarHBondContact O-N 2.03Å; Y53-W74 HydrophobicContact CD1-CB 3.96Å; Y53-W74 AromaticContact CD1-CD1 3.57Å; Y53-W74 HydrophobicContact CD1-CD2 4.3Å; Y53-W74 AromaticContact CD1-CG 3.68Å; Y53-W74 HydrophobicContact CD1-CG 3.68Å; Y53-W74 AromaticContact CE1-CD1 3.48Å; Y53-W74 VanDerWaalsContact CE1-CD1 3.48Å; Y53-W74 HydrophobicContact CE1-CD2 4.09Å; Y53-W74 AromaticContact CE1-CE2 3.96Å; Y53-W74 AromaticContact CE1-CG 3.84Å; Y53-W74 HydrophobicContact CE1-CG 3.84Å; Y53-W74 AromaticContact CE1-NE1 3.55Å; C54-W74 CarbonylContact C-O 3.51Å; C54-W74 VanDerWaalsContact CA-O 3.28Å; C54-W74 WeakPolarHBondContact CA-O 3Å; C54-W74 VanDerWaalsContact CB-O 3.29Å; C54-W74 WeakPolarHBondContact CB-O 3.28Å; C54-W74 PolarHBondContact N-O 3.41Å; S55-W74 PolarHBondContact N-O 3.07Å; S55-W74 WeakPolarHBondContact OG-CB 3.42Å; W74-F96 HydrophobicContact CD2-CE1 4.01Å; W74-F96 AromaticContact CE2-CE1 3.67Å; W74-F96 HydrophobicContact CE3-CE1 4.36Å; W74-F96 HydrophobicContact CH2-CE1 4.07Å; W74-F96 AromaticContact CH2-CZ 3.97Å; W74-F96 HydrophobicContact CH2-CZ 3.97Å; W74-F96 AromaticContact CZ2-CE1 3.71Å; W74-F96 HydrophobicContact CZ2-CE1 3.71Å; W74-F96 AromaticContact CZ2-CZ 3.97Å; W74-F96 HydrophobicContact CZ2-CZ 3.97Å; W74-F96 HydrophobicContact CZ3-CE1 4.39Å; W74-F96 HydrophobicContact CZ3-CZ 4.38Å; W74-N98 HydrophobicContact CD2-CB 4.46Å; W74-N98 HydrophobicContact CE3-CB 4.11Å; W74-N98 WeakPolarHBondContact CZ3-ND2 3.48Å
75	L	98	Very high	96.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	24%	0.239	C	C	.	.			trans	-125	14.2	-178.1	-77.4	170	0	0	0	112	C54 L59 V62 L73 N78 F80 F88 L97 N98 L99	C54-L75 HydrophobicContact CB-CD2 3.62Å; C54-L75 HydrophobicContact CB-CG 4.49Å; L59-L75 HydrophobicContact CD1-CD2 4.39Å; V62-L75 HydrophobicContact CG1-CD1 4.37Å; L73-L75 HydrophobicContact CD1-CD1 4.31Å; L73-L75 HydrophobicContact CD1-CG 4.05Å; L73-L75 HydrophobicContact CD2-CD1 3.71Å; L73-L75 HydrophobicContact CD2-CG 4.34Å; L73-L75 HydrophobicContact CG-CD1 3.83Å; L73-L75 HydrophobicContact CG-CG 3.93Å; L75-N78 PolarHBondContact O-ND2 2.84Å; L75-F80 HydrophobicContact CB-CE2 4.05Å; L75-F80 HydrophobicContact CD2-CE2 4.3Å; L75-F80 HydrophobicContact CD2-CZ 4.05Å; L75-F88 HydrophobicContact CD1-CE1 3.81Å; L75-F88 HydrophobicContact CD1-CZ 4.16Å; L75-L97 HydrophobicContact CD1-CD1 4.15Å; L75-N98 CarbonylContact C-O 3.25Å; L75-N98 VanDerWaalsContact CA-O 3.29Å; L75-N98 WeakPolarHBondContact CA-O 3.43Å; L75-N98 WeakPolarHBondContact CB-O 3.05Å; L75-N98 PolarHBondContact N-O 3.07Å; L75-L99 HydrophobicContact CB-CD2 3.76Å; L75-L99 HydrophobicContact CD1-CD2 3.99Å
76	D	98.3	Very high	96.7	Very high	34 Å²	34	37.8 Å²	37.8	18%	0.182	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	156.7	-177.7	62.5	-73.3	0	0	0	113.6	S55 A56 N78 N98 Q100	S55-D76 CarbonylContact C-O 3.46Å; S55-D76 VanDerWaalsContact CA-O 3.24Å; S55-D76 WeakPolarHBondContact CA-O 3.34Å; S55-D76 VanDerWaalsContact CB-OD1 3.3Å; S55-D76 WeakPolarHBondContact CB-OD1 2.95Å; S55-D76 PolarHBondContact OG-OD1 3.22Å; A56-D76 PolarHBondContact N-O 2.67Å; D76-N78 PolarHBondContact O-N 3.46Å; D76-N78 PolarHBondContact O-ND2 2.98Å; D76-N98 PolarHBondContact N-O 2.77Å; D76-Q100 VanDerWaalsContact CA-O 3.24Å; D76-Q100 WeakPolarHBondContact CA-O 3.39Å; D76-Q100 HydrophobicContact CB-CG 3.64Å; D76-Q100 WeakPolarHBondContact CB-O 3.44Å
77	G	97.7	Very high	96.7	Very high	27 Å²	27	39 Å²	39	28%	0.278	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	14.4	177.4	0	0	0	0	0	115	Q100 S101	G77-Q100 PolarHBondContact N-O 3.12Å; G77-S101 WeakPolarHBondContact CA-O 3.3Å
78	N	97.8	Very high	96.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	23%	0.234	C	C	.	.			trans	-94.8	175	178.1	-76.4	-59	0	0	0	112.8	C54 R57 N58 L59 L75 D76 F80	C54-N78 PolarHBondContact O-ND2 3.37Å; R57-N78 PolarHBondContact N-OD1 3.11Å; N58-N78 PolarHBondContact N-OD1 2.89Å; L59-N78 HydrophobicContact CB-CB 4.23Å; L59-N78 PolarHBondContact N-OD1 3.2Å; L75-N78 PolarHBondContact O-ND2 2.84Å; D76-N78 PolarHBondContact O-N 3.46Å; D76-N78 PolarHBondContact O-ND2 2.98Å; N78-F80 HydrophobicContact CB-CD2 3.88Å; N78-F80 HydrophobicContact CB-CE1 4.33Å; N78-F80 HydrophobicContact CB-CE2 3.43Å; N78-F80 VanDerWaalsContact CB-CE2 3.43Å; N78-F80 HydrophobicContact CB-CZ 3.68Å; N78-F80 PolarHBondContact O-N 3.45Å
79	L	97.5	Very high	96.8	Very high	68 Å²	68	41.3 Å²	41.3	36%	0.356	23%	0.234	S	C	.	.			trans	-99.8	30.3	-171.1	-60.2	177.4	0	0	0	112.8	N58 L59 T60 V81 Q103	N58-L79 HydrophobicContact CB-CD1 3.94Å; L59-L79 CarbonylContact O-C 3.22Å; L59-L79 WeakPolarHBondContact O-CA 3.17Å; L59-L79 WeakPolarHBondContact O-CB 3.42Å; L59-L79 PolarHBondContact O-N 3.49Å; T60-L79 HydrophobicContact CG2-CB 4.25Å; L79-V81 PolarHBondContact O-N 3.03Å; L79-Q103 VanDerWaalsContact C-NE2 3.3Å; L79-Q103 PolarHBondContact O-NE2 2.59Å
80	F	97.3	Very high	96.7	Very high	6 Å²	6	43 Å²	43	3%	0.026	24%	0.239	C	C	.	.			trans	-67.6	120.5	177.2	-51.4	-52.2	0	0	0	111.2	L59 Q61 L75 N78 L83 L99 Q103 L104	L59-F80 HydrophobicContact CB-CE1 3.77Å; L59-F80 HydrophobicContact CB-CZ 3.83Å; Q61-F80 WeakPolarHBondContact O-CE1 3.39Å; L75-F80 HydrophobicContact CB-CE2 4.05Å; L75-F80 HydrophobicContact CD2-CE2 4.3Å; L75-F80 HydrophobicContact CD2-CZ 4.05Å; N78-F80 HydrophobicContact CB-CD2 3.88Å; N78-F80 HydrophobicContact CB-CE1 4.33Å; N78-F80 HydrophobicContact CB-CE2 3.43Å; N78-F80 VanDerWaalsContact CB-CE2 3.43Å; N78-F80 HydrophobicContact CB-CZ 3.68Å; N78-F80 PolarHBondContact O-N 3.45Å; F80-L83 HydrophobicContact CB-CD2 4.31Å; F80-L83 HydrophobicContact CG-CD2 4.27Å; F80-L99 HydrophobicContact CD2-CD2 4.35Å; F80-L99 HydrophobicContact CE2-CD2 4.36Å; F80-Q103 CarbonylContact O-C 3.53Å; F80-Q103 VanDerWaalsContact O-CG 3.28Å; F80-Q103 WeakPolarHBondContact O-CG 3.26Å; F80-L104 HydrophobicContact CB-CD2 3.53Å; F80-L104 HydrophobicContact CB-CG 4.12Å; F80-L104 WeakPolarHBondContact O-CA 3.4Å; F80-L104 PolarHBondContact O-N 2.97Å; F80-L104 VanDerWaalsContact O-N 3.12Å
81	V	97.1	Very high	96.7	Very high	72 Å²	72	43.4 Å²	43.4	44%	0.436	24%	0.241	S	C	.	.	S	Bend	trans	-87.2	-38.8	173.9	174.3	0	0	0	0	110.7	L79 Q103 L105	L79-V81 PolarHBondContact O-N 3.03Å; V81-Q103 HydrophobicContact CG2-CG 4.37Å; V81-L105 HydrophobicContact CG1-CD1 3.8Å; V81-L105 PolarHBondContact O-N 3.36Å
82	S	97.2	Very high	96.6	Very high	60 Å²	60	43.8 Å²	43.8	42%	0.42	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	151.5	178.4	57.7	0	0	0	0	110.4	T106	S82-T106 WeakPolarHBondContact CA-O 3.05Å; S82-T106 WeakPolarHBondContact CB-OG1 3.45Å
83	L	97	Very high	96.5	Very high	4 Å²	4	44 Å²	44	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	122.4	170.3	-63.4	-178.7	0	0	0	110.5	V62 F80 F88 L99 L104 T106 L107 D108 T111	V62-L83 HydrophobicContact CG2-CD2 3.78Å; F80-L83 HydrophobicContact CB-CD2 4.31Å; F80-L83 HydrophobicContact CG-CD2 4.27Å; L83-F88 HydrophobicContact CD1-CE2 4.05Å; L83-F88 HydrophobicContact CD1-CZ 4.27Å; L83-L99 HydrophobicContact CD1-CD1 3.66Å; L83-L99 HydrophobicContact CD1-CD2 4.19Å; L83-L104 HydrophobicContact CD1-CD1 4.39Å; L83-L104 HydrophobicContact CD1-CD2 4.4Å; L83-L104 HydrophobicContact CD2-CD2 4.28Å; L83-L104 HydrophobicContact CG-CD2 3.8Å; L83-T106 PolarHBondContact N-O 3.02Å; L83-L107 HydrophobicContact CB-CD2 3.86Å; L83-L107 HydrophobicContact CD1-CD2 3.74Å; L83-L107 HydrophobicContact CG-CD2 3.87Å; L83-D108 PolarHBondContact O-N 3.48Å; L83-T111 HydrophobicContact CB-CG2 3.61Å; L83-T111 HydrophobicContact CD1-CG2 3.92Å; L83-T111 HydrophobicContact CG-CG2 4.42Å; L83-T111 PolarHBondContact O-OG1 3.49Å; L83-T111 VanDerWaalsContact O-OG1 3.09Å
84	P	95.6	Very high	96.5	Very high	82 Å²	82	44 Å²	44	53%	0.532	25%	0.254	S	S	.	.			trans	-73.2	170.8	-178.7	29.2	-31.4	0	0	0	112	A86 C87 T111	P84-A86 PolarHBondContact O-N 3.41Å; P84-C87 HydrophobicContact CG-CB 4.08Å; P84-T111 PolarHBondContact O-OG1 3.31Å
85	A	96.1	Very high	96.4	Very high	56 Å²	56	42.6 Å²	42.6	46%	0.463	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	134.7	176.4	0	0	0	0	0	111.4	C87 D108 Q110	A85-C87 PolarHBondContact O-N 3.34Å; A85-C87 VanDerWaalsContact O-N 3.14Å; A85-D108 HydrophobicContact CB-CB 4.42Å; A85-D108 WeakPolarHBondContact CB-OD1 3.17Å; A85-Q110 HydrophobicContact CB-CB 4.07Å
86	A	94.1	Very high	96.4	Very high	23 Å²	23	43.7 Å²	43.7	19%	0.19	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	28.5	171	0	0	0	0	0	115.6	P84 F88 R89 Q110 R113	P84-A86 PolarHBondContact O-N 3.41Å; A86-F88 PolarHBondContact O-N 3.31Å; A86-F88 VanDerWaalsContact O-N 3.15Å; A86-R89 HydrophobicContact CB-CB 4.21Å; A86-R89 WeakPolarHBondContact O-CB 3.01Å; A86-R89 PolarHBondContact O-N 3.29Å; A86-Q110 WeakPolarHBondContact CA-O 3.24Å; A86-Q110 PolarHBondContact N-O 3.26Å; A86-R113 HydrophobicContact CB-CB 4.33Å
87	C	95.6	Very high	96.4	Very high	39 Å²	39	42.1 Å²	42.1	26%	0.264	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-12.7	179.2	61.6	0	0	0	0	114.4	P84 A85	P84-C87 HydrophobicContact CG-CB 4.08Å; A85-C87 PolarHBondContact O-N 3.34Å; A85-C87 VanDerWaalsContact O-N 3.14Å
88	F	96	Very high	96.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	19.2	176	-53.2	-71.2	0	0	0	113.5	V62 L73 L75 L83 A86 D90 L91 L97 L99 T111 F112 L115	V62-F88 HydrophobicContact CB-CE1 4.42Å; V62-F88 HydrophobicContact CG1-CD1 4.13Å; V62-F88 HydrophobicContact CG1-CE1 3.61Å; V62-F88 HydrophobicContact CG1-CZ 4.38Å; V62-F88 HydrophobicContact CG2-CE1 3.94Å; V62-F88 HydrophobicContact CG2-CZ 3.86Å; L73-F88 HydrophobicContact CD2-CD1 4.32Å; L73-F88 HydrophobicContact CD2-CE1 4.13Å; L75-F88 HydrophobicContact CD1-CE1 3.81Å; L75-F88 HydrophobicContact CD1-CZ 4.16Å; L83-F88 HydrophobicContact CD1-CE2 4.05Å; L83-F88 HydrophobicContact CD1-CZ 4.27Å; A86-F88 PolarHBondContact O-N 3.31Å; A86-F88 VanDerWaalsContact O-N 3.15Å; F88-D90 PolarHBondContact O-N 2.89Å; F88-L91 HydrophobicContact CB-CD1 4.27Å; F88-L91 HydrophobicContact CD1-CD1 3.93Å; F88-L91 PolarHBondContact O-N 3.26Å; F88-L91 VanDerWaalsContact O-N 3.09Å; F88-L97 HydrophobicContact CD2-CD2 4.35Å; F88-L97 HydrophobicContact CE1-CD1 4.34Å; F88-L97 HydrophobicContact CE2-CD2 4Å; F88-L97 HydrophobicContact CZ-CD1 4.35Å; F88-L97 HydrophobicContact CZ-CD2 4.12Å; F88-L99 HydrophobicContact CZ-CD2 4.48Å; F88-T111 HydrophobicContact CD2-CG2 4.32Å; F88-T111 HydrophobicContact CE2-CG2 4.06Å; F88-F112 HydrophobicContact CD2-CD1 4.28Å; F88-F112 HydrophobicContact CE2-CD1 4.44Å; F88-F112 HydrophobicContact CE2-CE1 4.33Å; F88-L115 HydrophobicContact CB-CD1 4.05Å; F88-L115 HydrophobicContact CB-CD2 3.71Å; F88-L115 HydrophobicContact CB-CG 4Å; F88-L115 HydrophobicContact CD2-CD1 4.26Å; F88-L115 HydrophobicContact CG-CD1 4.36Å
89	R	94.5	Very high	96.5	Very high	142 Å²	142	40.9 Å²	40.9	54%	0.536	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-36	-168.9	-175.2	-174.7	63	-142.8	-10.2	114.7	A86 L91 R113	A86-R89 HydrophobicContact CB-CB 4.21Å; A86-R89 WeakPolarHBondContact O-CB 3.01Å; A86-R89 PolarHBondContact O-N 3.29Å; R89-L91 VanDerWaalsContact C-N 3.34Å; R89-R113 VanDerWaalsContact CA-O 3.28Å; R89-R113 WeakPolarHBondContact CA-O 3.09Å
90	D	93.6	Very high	96.5	Very high	97 Å²	97	39.2 Å²	39.2	52%	0.519	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	0.8	-170.2	-53	-29.2	0	0	0	112.1	F88 S92	F88-D90 PolarHBondContact O-N 2.89Å; D90-S92 PolarHBondContact O-N 3.43Å
91	L	95.8	Very high	96.6	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	24%	0.242	C	C	.	.			trans	-96	56.7	-179	-53.3	-176.1	0	0	0	112.1	I66 L73 F88 R89 N93 L94 L115	I66-L91 HydrophobicContact CB-CD2 4.27Å; I66-L91 HydrophobicContact CG2-CD1 4.13Å; I66-L91 HydrophobicContact CG2-CD2 3.75Å; L73-L91 HydrophobicContact CD2-CD1 3.79Å; F88-L91 HydrophobicContact CB-CD1 4.27Å; F88-L91 HydrophobicContact CD1-CD1 3.93Å; F88-L91 PolarHBondContact O-N 3.26Å; F88-L91 VanDerWaalsContact O-N 3.09Å; R89-L91 VanDerWaalsContact C-N 3.34Å; L91-N93 PolarHBondContact O-N 2.97Å; L91-L94 HydrophobicContact CB-CB 4.09Å; L91-L94 HydrophobicContact CD1-CD2 4.27Å; L91-L94 WeakPolarHBondContact O-CB 3.19Å; L91-L94 PolarHBondContact O-N 3.34Å; L91-L115 HydrophobicContact CB-CD2 3.92Å; L91-L115 VanDerWaalsContact O-CD2 3.32Å; L91-L115 WeakPolarHBondContact O-CD2 3.33Å
92	S	94.8	Very high	96.5	Very high	55 Å²	55	39 Å²	39	39%	0.385	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.5	-174.1	57.8	0	0	0	0	114.8	D90 G114 S117	D90-S92 PolarHBondContact O-N 3.43Å; S92-G114 WeakPolarHBondContact CA-O 3.37Å; S92-S117 WeakPolarHBondContact O-CB 3.32Å; S92-S117 PolarHBondContact O-OG 2.97Å; S92-S117 VanDerWaalsContact O-OG 3.1Å
93	N	95.5	Very high	96.5	Very high	70 Å²	70	38.7 Å²	38.7	37%	0.374	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.5	-179.8	-64.6	-1.1	0	0	0	113.2	T70 L91 D95	T70-N93 CarbonylContact O-C 3.57Å; L91-N93 PolarHBondContact O-N 2.97Å; N93-D95 PolarHBondContact O-N 2.97Å
94	L	97.8	Very high	96.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.			trans	-66.9	118.1	-175.6	-167.1	73.7	0	0	0	110.3	T70 H71 L73 L91 L97 L115 S117 L118	T70-L94 HydrophobicContact CG2-CD1 3.82Å; T70-L94 WeakPolarHBondContact O-CA 3.33Å; T70-L94 PolarHBondContact O-N 2.61Å; H71-L94 WeakPolarHBondContact O-CD1 3.02Å; L73-L94 HydrophobicContact CB-CD1 3.56Å; L73-L94 HydrophobicContact CB-CD2 4.38Å; L73-L94 HydrophobicContact CD2-CD2 4.46Å; L91-L94 HydrophobicContact CB-CB 4.09Å; L91-L94 HydrophobicContact CD1-CD2 4.27Å; L91-L94 WeakPolarHBondContact O-CB 3.19Å; L91-L94 PolarHBondContact O-N 3.34Å; L94-L97 HydrophobicContact CD2-CB 4Å; L94-L97 HydrophobicContact CD2-CD1 4.32Å; L94-L97 HydrophobicContact CD2-CD2 4.43Å; L94-L97 HydrophobicContact CD2-CG 4.48Å; L94-L115 HydrophobicContact CB-CD2 4.05Å; L94-L115 HydrophobicContact CD2-CD1 4.38Å; L94-L115 HydrophobicContact CD2-CD2 3.81Å; L94-S117 CarbonylContact O-C 3.57Å; L94-L118 HydrophobicContact CD2-CD1 4.33Å; L94-L118 HydrophobicContact CG-CD1 4.42Å; L94-L118 WeakPolarHBondContact O-CA 3.14Å; L94-L118 PolarHBondContact O-N 2.95Å
95	D	97.4	Very high	96.6	Very high	46 Å²	46	37.9 Å²	37.9	25%	0.246	21%	0.214	C	C	.	.			trans	-94.2	-39.7	177.4	179.5	77	0	0	0	111.1	H71 N93 A119 H120	H71-D95 PolarHBondContact O-N 3.46Å; N93-D95 PolarHBondContact O-N 2.97Å; D95-A119 PolarHBondContact O-N 3.33Å; D95-A119 VanDerWaalsContact OD1-CB 3.22Å; D95-A119 WeakPolarHBondContact OD1-CB 3.36Å; D95-H120 PolarHBondContact O-N 3.44Å; D95-H120 IonicContact OD2-CD2 3.76Å
96	F	98.5	Very high	96.6	Very high	24 Å²	24	39.2 Å²	39.2	11%	0.105	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.9	-175.3	178.2	-87	0	0	0	112.1	H71 Y72 L73 W74 N98 H120 H122	H71-F96 PolarHBondContact O-N 3.16Å; Y72-F96 HydrophobicContact CD1-CB 3.41Å; Y72-F96 VanDerWaalsContact CD1-CB 3.41Å; Y72-F96 HydrophobicContact CD1-CD1 4.25Å; Y72-F96 AromaticContact CD1-CG 3.94Å; Y72-F96 HydrophobicContact CD1-CG 3.94Å; Y72-F96 HydrophobicContact CE1-CB 4.04Å; Y72-F96 HydrophobicContact CG-CB 4.18Å; L73-F96 PolarHBondContact N-O 3.25Å; W74-F96 HydrophobicContact CD2-CE1 4.01Å; W74-F96 AromaticContact CE2-CE1 3.67Å; W74-F96 HydrophobicContact CE3-CE1 4.36Å; W74-F96 HydrophobicContact CH2-CE1 4.07Å; W74-F96 AromaticContact CH2-CZ 3.97Å; W74-F96 HydrophobicContact CH2-CZ 3.97Å; W74-F96 AromaticContact CZ2-CE1 3.71Å; W74-F96 HydrophobicContact CZ2-CE1 3.71Å; W74-F96 AromaticContact CZ2-CZ 3.97Å; W74-F96 HydrophobicContact CZ2-CZ 3.97Å; W74-F96 HydrophobicContact CZ3-CE1 4.39Å; W74-F96 HydrophobicContact CZ3-CZ 4.38Å; F96-N98 HydrophobicContact CD1-CB 4.5Å; F96-N98 HydrophobicContact CE1-CB 3.54Å; F96-N98 HydrophobicContact CZ-CB 3.85Å; F96-H120 WeakPolarHBondContact CA-O 3.46Å; F96-H120 HydrophobicContact CB-CB 4.35Å; F96-H120 HydrophobicContact CD2-CB 3.55Å; F96-H120 HydrophobicContact CE2-CB 4.31Å; F96-H120 HydrophobicContact CG-CB 4.34Å; F96-H122 AromaticContact CE2-CD2 3.51Å; F96-H122 AromaticContact CE2-NE2 3.66Å; F96-H122 AromaticContact CZ-CD2 3.9Å
97	L	98.6	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.2	175.3	178.4	56.8	0	0	0	111.1	L73 L75 F88 L94 L99 F112 L115 L118 H120 L121 H122	L73-L97 HydrophobicContact CB-CD1 4.17Å; L73-L97 HydrophobicContact CD2-CD1 3.95Å; L73-L97 HydrophobicContact CG-CD1 4.05Å; L75-L97 HydrophobicContact CD1-CD1 4.15Å; F88-L97 HydrophobicContact CD2-CD2 4.35Å; F88-L97 HydrophobicContact CE1-CD1 4.34Å; F88-L97 HydrophobicContact CE2-CD2 4Å; F88-L97 HydrophobicContact CZ-CD1 4.35Å; F88-L97 HydrophobicContact CZ-CD2 4.12Å; L94-L97 HydrophobicContact CD2-CB 4Å; L94-L97 HydrophobicContact CD2-CD1 4.32Å; L94-L97 HydrophobicContact CD2-CD2 4.43Å; L94-L97 HydrophobicContact CD2-CG 4.48Å; L97-L99 HydrophobicContact CD1-CD1 4.44Å; L97-L99 HydrophobicContact CD1-CG 4.17Å; L97-L99 HydrophobicContact CD2-CD1 3.93Å; L97-L99 HydrophobicContact CG-CD1 4.05Å; L97-L99 HydrophobicContact CG-CG 4.13Å; L97-F112 HydrophobicContact CD2-CD1 4.28Å; L97-F112 HydrophobicContact CD2-CE1 3.94Å; L97-L115 HydrophobicContact CD2-CD1 4.1Å; L97-L118 HydrophobicContact CB-CD1 3.71Å; L97-H120 PolarHBondContact N-O 3.36Å; L97-L121 HydrophobicContact CB-CD1 4.03Å; L97-L121 HydrophobicContact CD2-CD1 3.95Å; L97-L121 HydrophobicContact CG-CD1 4Å; L97-H122 PolarHBondContact O-N 3.35Å
98	N	98.6	Very high	96.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.9	176.4	-170.8	-0.2	0	0	0	112.5	L73 W74 L75 D76 F96 Q100 H122	L73-N98 PolarHBondContact O-N 3.04Å; W74-N98 HydrophobicContact CD2-CB 4.46Å; W74-N98 HydrophobicContact CE3-CB 4.11Å; W74-N98 WeakPolarHBondContact CZ3-ND2 3.48Å; L75-N98 CarbonylContact C-O 3.25Å; L75-N98 VanDerWaalsContact CA-O 3.29Å; L75-N98 WeakPolarHBondContact CA-O 3.43Å; L75-N98 WeakPolarHBondContact CB-O 3.05Å; L75-N98 PolarHBondContact N-O 3.07Å; D76-N98 PolarHBondContact N-O 2.77Å; F96-N98 HydrophobicContact CD1-CB 4.5Å; F96-N98 HydrophobicContact CE1-CB 3.54Å; F96-N98 HydrophobicContact CZ-CB 3.85Å; N98-Q100 PolarHBondContact ND2-NE2 3.45Å; N98-Q100 VanDerWaalsContact ND2-NE2 3.17Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.38Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.25Å; N98-Q100 PolarHBondContact OD1-N 2.81Å; N98-Q100 PolarHBondContact OD1-NE2 3.45Å; N98-H122 HydrophobicContact CB-CB 4.33Å
99	L	98.3	Very high	96.8	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.016	23%	0.231	C	C	.	.			trans	-123.3	20.9	179.3	-68.6	164.4	0	0	0	111.4	L75 F80 L83 F88 L97 L104 F112 H122 I123 N126	L75-L99 HydrophobicContact CB-CD2 3.76Å; L75-L99 HydrophobicContact CD1-CD2 3.99Å; F80-L99 HydrophobicContact CD2-CD2 4.35Å; F80-L99 HydrophobicContact CE2-CD2 4.36Å; L83-L99 HydrophobicContact CD1-CD1 3.66Å; L83-L99 HydrophobicContact CD1-CD2 4.19Å; F88-L99 HydrophobicContact CZ-CD2 4.48Å; L97-L99 HydrophobicContact CD1-CD1 4.44Å; L97-L99 HydrophobicContact CD1-CG 4.17Å; L97-L99 HydrophobicContact CD2-CD1 3.93Å; L97-L99 HydrophobicContact CG-CD1 4.05Å; L97-L99 HydrophobicContact CG-CG 4.13Å; L99-L104 HydrophobicContact CB-CD1 4.18Å; L99-F112 HydrophobicContact CD1-CE1 4.41Å; L99-H122 CarbonylContact C-O 3.47Å; L99-H122 WeakPolarHBondContact CA-O 3.26Å; L99-H122 WeakPolarHBondContact CB-O 3.18Å; L99-H122 PolarHBondContact N-O 3.27Å; L99-I123 HydrophobicContact CB-CG2 4.36Å; L99-N126 PolarHBondContact O-ND2 3.5Å
100	Q	98.1	Very high	96.9	Very high	33 Å²	33	38.7 Å²	38.7	15%	0.154	22%	0.215	C	C	.	.			trans	-73.1	167.7	-172.6	79.1	179.1	-91.2	0	0	114.2	D76 G77 N98 G102 E124	D76-Q100 VanDerWaalsContact CA-O 3.24Å; D76-Q100 WeakPolarHBondContact CA-O 3.39Å; D76-Q100 HydrophobicContact CB-CG 3.64Å; D76-Q100 WeakPolarHBondContact CB-O 3.44Å; G77-Q100 PolarHBondContact N-O 3.12Å; N98-Q100 PolarHBondContact ND2-NE2 3.45Å; N98-Q100 VanDerWaalsContact ND2-NE2 3.17Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.38Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.25Å; N98-Q100 PolarHBondContact OD1-N 2.81Å; N98-Q100 PolarHBondContact OD1-NE2 3.45Å; Q100-G102 VanDerWaalsContact C-N 3.25Å; Q100-G102 PolarHBondContact O-N 3Å; Q100-E124 VanDerWaalsContact CA-O 3.25Å; Q100-E124 WeakPolarHBondContact CA-O 3.29Å; Q100-E124 HydrophobicContact CB-CG 3.79Å; Q100-E124 WeakPolarHBondContact CB-O 3.37Å; Q100-E124 PolarHBondContact NE2-OE1 3.11Å; Q100-E124 VanDerWaalsContact NE2-OE1 3.13Å
101	S	97.6	Very high	97.1	Very high	52 Å²	52	34.1 Å²	34.1	36%	0.364	19%	0.19	S	C	.	.	S	Bend	trans	55.4	38.3	169.2	-57.3	0	0	0	0	113.4	G77 E124 R125	G77-S101 WeakPolarHBondContact CA-O 3.3Å; S101-E124 PolarHBondContact N-O 3.27Å; S101-R125 WeakPolarHBondContact CA-O 3.05Å
102	G	96.2	Very high	97.1	Very high	21 Å²	21	33.7 Å²	33.7	22%	0.216	19%	0.188	C	C	.	.	S	Bend	trans	-115	-150.9	-178.9	0	0	0	0	0	113.1	Q100 R125 N126	Q100-G102 VanDerWaalsContact C-N 3.25Å; Q100-G102 PolarHBondContact O-N 3Å; G102-R125 PolarHBondContact N-O 3.29Å; G102-N126 VanDerWaalsContact CA-OD1 3.28Å; G102-N126 WeakPolarHBondContact CA-OD1 3.45Å; G102-N126 PolarHBondContact N-OD1 2.8Å
103	Q	97	Very high	97.2	Very high	55 Å²	55	37.4 Å²	37.4	26%	0.257	19%	0.194	S	C	.	.			trans	-126.9	24.4	178.9	66.1	-179.1	-0.2	0	0	113.7	L79 F80 V81 L105 N126	L79-Q103 VanDerWaalsContact C-NE2 3.3Å; L79-Q103 PolarHBondContact O-NE2 2.59Å; F80-Q103 CarbonylContact O-C 3.53Å; F80-Q103 VanDerWaalsContact O-CG 3.28Å; F80-Q103 WeakPolarHBondContact O-CG 3.26Å; V81-Q103 HydrophobicContact CG2-CG 4.37Å; Q103-L105 PolarHBondContact O-N 3.22Å; Q103-N126 PolarHBondContact N-OD1 3.11Å
104	L	97.9	Very high	97	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.184	C	C	.	.			trans	-60.9	124.8	-177.1	-73.7	169	0	0	0	110.8	F80 L83 L99 L107 I123 N126 R127 L128	F80-L104 HydrophobicContact CB-CD2 3.53Å; F80-L104 HydrophobicContact CB-CG 4.12Å; F80-L104 WeakPolarHBondContact O-CA 3.4Å; F80-L104 PolarHBondContact O-N 2.97Å; F80-L104 VanDerWaalsContact O-N 3.12Å; L83-L104 HydrophobicContact CD1-CD1 4.39Å; L83-L104 HydrophobicContact CD1-CD2 4.4Å; L83-L104 HydrophobicContact CD2-CD2 4.28Å; L83-L104 HydrophobicContact CG-CD2 3.8Å; L99-L104 HydrophobicContact CB-CD1 4.18Å; L104-L107 HydrophobicContact CD1-CD2 4.43Å; L104-L107 HydrophobicContact CD2-CD2 4.39Å; L104-I123 HydrophobicContact CD1-CG2 3.95Å; L104-N126 HydrophobicContact CB-CB 4.05Å; L104-N126 WeakPolarHBondContact CB-OD1 3.32Å; L104-N126 PolarHBondContact N-OD1 3.37Å; L104-R127 CarbonylContact O-C 3.58Å; L104-R127 VanDerWaalsContact O-CA 3.31Å; L104-R127 WeakPolarHBondContact O-CA 3.07Å; L104-R127 PolarHBondContact O-N 3.1Å; L104-L128 HydrophobicContact CB-CD2 4.11Å; L104-L128 PolarHBondContact O-N 3.32Å; L104-L128 VanDerWaalsContact O-N 3.17Å
105	L	97.4	Very high	96.9	Very high	67 Å²	67	34.9 Å²	34.9	35%	0.351	18%	0.184	S	C	.	.			trans	-105	-37	178.7	-79.3	142.3	0	0	0	112	V81 Q103 R127	V81-L105 HydrophobicContact CG1-CD1 3.8Å; V81-L105 PolarHBondContact O-N 3.36Å; Q103-L105 PolarHBondContact O-N 3.22Å; L105-R127 HydrophobicContact CD2-CB 4.22Å; L105-R127 HydrophobicContact CG-CB 4.31Å
106	T	96.1	Very high	96.7	Very high	84 Å²	84	41.4 Å²	41.4	52%	0.515	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.5	-176.5	57.6	0	0	0	0	111.5	S82 L83	S82-T106 WeakPolarHBondContact CA-O 3.05Å; S82-T106 WeakPolarHBondContact CB-OG1 3.45Å; L83-T106 PolarHBondContact N-O 3.02Å
107	L	97	Very high	96.6	Very high	14 Å²	14	42.8 Å²	42.8	7%	0.073	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.2	172.9	-60.4	174.8	0	0	0	107.7	L83 L104 F112 I123 L128 L131 P132 I135	L83-L107 HydrophobicContact CB-CD2 3.86Å; L83-L107 HydrophobicContact CD1-CD2 3.74Å; L83-L107 HydrophobicContact CG-CD2 3.87Å; L104-L107 HydrophobicContact CD1-CD2 4.43Å; L104-L107 HydrophobicContact CD2-CD2 4.39Å; L107-F112 HydrophobicContact CD1-CZ 4.44Å; L107-I123 HydrophobicContact CD1-CD1 4.13Å; L107-L128 HydrophobicContact CD1-CD1 4.27Å; L107-L128 HydrophobicContact CD1-CD2 4.41Å; L107-L128 HydrophobicContact CG-CD2 4.09Å; L107-L131 HydrophobicContact CD1-CD2 4.25Å; L107-P132 VanDerWaalsContact O-CG 3.3Å; L107-P132 WeakPolarHBondContact O-CG 3.35Å; L107-I135 HydrophobicContact CB-CD1 3.64Å; L107-I135 HydrophobicContact CD1-CD1 3.72Å; L107-I135 HydrophobicContact CG-CD1 4.33Å
108	D	97	Very high	96.6	Very high	56 Å²	56	42.8 Å²	42.8	30%	0.299	22%	0.217	S	C	.	.			trans	-69.3	146.7	170.1	-173.4	-89.9	0	0	0	110.3	L83 A85 Q110 T111	L83-D108 PolarHBondContact O-N 3.48Å; A85-D108 HydrophobicContact CB-CB 4.42Å; A85-D108 WeakPolarHBondContact CB-OD1 3.17Å; D108-Q110 PolarHBondContact O-N 3.18Å; D108-Q110 VanDerWaalsContact O-N 3.08Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.37Å; D108-Q110 PolarHBondContact OD1-N 3.41Å; D108-T111 PolarHBondContact N-OG1 3.17Å; D108-T111 VanDerWaalsContact N-OG1 3.1Å; D108-T111 WeakPolarHBondContact O-CB 3.08Å; D108-T111 PolarHBondContact O-N 2.68Å; D108-T111 PolarHBondContact O-OG1 3.26Å
109	H	95.9	Very high	96.6	Very high	84 Å²	84	43.3 Å²	43.3	39%	0.389	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-16.3	179.5	72.6	-60.3	0	0	0	114.6	P132	H109-P132 HydrophobicContact CB-CB 3.73Å; H109-P132 HydrophobicContact CB-CG 4.19Å
110	Q	96.4	Very high	96.6	Very high	42 Å²	42	45.7 Å²	45.7	20%	0.196	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	12.8	175.3	-60.5	-65.6	-36.8	0	0	112.9	A85 A86 D108 F112 R113	A85-Q110 HydrophobicContact CB-CB 4.07Å; A86-Q110 WeakPolarHBondContact CA-O 3.24Å; A86-Q110 PolarHBondContact N-O 3.26Å; D108-Q110 PolarHBondContact O-N 3.18Å; D108-Q110 VanDerWaalsContact O-N 3.08Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.37Å; D108-Q110 PolarHBondContact OD1-N 3.41Å; Q110-F112 VanDerWaalsContact C-N 3.29Å; Q110-F112 PolarHBondContact O-N 2.98Å; Q110-R113 HydrophobicContact CB-CB 4.37Å; Q110-R113 VanDerWaalsContact O-CB 3.22Å; Q110-R113 WeakPolarHBondContact O-CB 3.4Å; Q110-R113 PolarHBondContact O-N 3.47Å; Q110-R113 VanDerWaalsContact O-N 3.09Å
111	T	97.1	Very high	96.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-44.7	-178.5	-69.2	0	0	0	0	112.4	L83 P84 F88 D108 R113	L83-T111 HydrophobicContact CB-CG2 3.61Å; L83-T111 HydrophobicContact CD1-CG2 3.92Å; L83-T111 HydrophobicContact CG-CG2 4.42Å; L83-T111 PolarHBondContact O-OG1 3.49Å; L83-T111 VanDerWaalsContact O-OG1 3.09Å; P84-T111 PolarHBondContact O-OG1 3.31Å; F88-T111 HydrophobicContact CD2-CG2 4.32Å; F88-T111 HydrophobicContact CE2-CG2 4.06Å; D108-T111 PolarHBondContact N-OG1 3.17Å; D108-T111 VanDerWaalsContact N-OG1 3.1Å; D108-T111 WeakPolarHBondContact O-CB 3.08Å; D108-T111 PolarHBondContact O-N 2.68Å; D108-T111 PolarHBondContact O-OG1 3.26Å; T111-R113 VanDerWaalsContact C-N 3.33Å; T111-R113 PolarHBondContact O-N 3.4Å
112	F	96.7	Very high	96.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	15.6	-178.4	-54.4	-48.2	0	0	0	114.2	F88 L97 L99 L107 Q110 G114 L115 L121 I123 I135 F136 T139	F88-F112 HydrophobicContact CD2-CD1 4.28Å; F88-F112 HydrophobicContact CE2-CD1 4.44Å; F88-F112 HydrophobicContact CE2-CE1 4.33Å; L97-F112 HydrophobicContact CD2-CD1 4.28Å; L97-F112 HydrophobicContact CD2-CE1 3.94Å; L99-F112 HydrophobicContact CD1-CE1 4.41Å; L107-F112 HydrophobicContact CD1-CZ 4.44Å; Q110-F112 VanDerWaalsContact C-N 3.29Å; Q110-F112 PolarHBondContact O-N 2.98Å; F112-G114 PolarHBondContact O-N 2.99Å; F112-L115 HydrophobicContact CB-CD1 4.02Å; F112-L115 HydrophobicContact CD1-CD1 3.74Å; F112-L115 HydrophobicContact CG-CD1 4.28Å; F112-L115 WeakPolarHBondContact O-CB 3.27Å; F112-L115 PolarHBondContact O-N 3.45Å; F112-L121 HydrophobicContact CD2-CD2 4.29Å; F112-L121 HydrophobicContact CE1-CD1 4.27Å; F112-L121 HydrophobicContact CE1-CD2 4.38Å; F112-L121 HydrophobicContact CE2-CD2 3.72Å; F112-L121 HydrophobicContact CZ-CD1 4.18Å; F112-L121 HydrophobicContact CZ-CD2 3.79Å; F112-I123 HydrophobicContact CE2-CD1 4.29Å; F112-I123 HydrophobicContact CZ-CD1 3.74Å; F112-I135 HydrophobicContact CD2-CD1 4.09Å; F112-I135 HydrophobicContact CD2-CG1 3.7Å; F112-I135 HydrophobicContact CE2-CD1 3.69Å; F112-I135 HydrophobicContact CE2-CG1 3.84Å; F112-F136 HydrophobicContact CD2-CD1 4.14Å; F112-F136 AromaticContact CD2-CE1 3.96Å; F112-F136 HydrophobicContact CD2-CE1 3.96Å; F112-F136 HydrophobicContact CE2-CD1 4.45Å; F112-F136 AromaticContact CE2-CE1 3.82Å; F112-F136 HydrophobicContact CE2-CE1 3.82Å; F112-T139 HydrophobicContact CB-CG2 3.81Å
113	R	95.6	Very high	96.8	Very high	133 Å²	133	42.6 Å²	42.6	50%	0.502	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	126.1	174.8	-177.7	179.4	178	-178.4	0.1	109.6	A86 R89 Q110 T111	A86-R113 HydrophobicContact CB-CB 4.33Å; R89-R113 VanDerWaalsContact CA-O 3.28Å; R89-R113 WeakPolarHBondContact CA-O 3.09Å; Q110-R113 HydrophobicContact CB-CB 4.37Å; Q110-R113 VanDerWaalsContact O-CB 3.22Å; Q110-R113 WeakPolarHBondContact O-CB 3.4Å; Q110-R113 PolarHBondContact O-N 3.47Å; Q110-R113 VanDerWaalsContact O-N 3.09Å; T111-R113 VanDerWaalsContact C-N 3.33Å; T111-R113 PolarHBondContact O-N 3.4Å
114	G	91.9	Very high	96.8	Very high	16 Å²	16	40.4 Å²	40.4	17%	0.165	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	104.9	-19.6	179	0	0	0	0	0	114.4	S92 F112 R116	S92-G114 WeakPolarHBondContact CA-O 3.37Å; F112-G114 PolarHBondContact O-N 2.99Å; G114-R116 VanDerWaalsContact C-N 3.26Å; G114-R116 PolarHBondContact O-N 3.37Å
115	L	96.3	Very high	96.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.221	C	C	.	.			trans	-79.9	61.3	-176.1	-62.2	-172.5	0	0	0	113.3	F88 L91 L94 L97 F112 S117 L118 T139	F88-L115 HydrophobicContact CB-CD1 4.05Å; F88-L115 HydrophobicContact CB-CD2 3.71Å; F88-L115 HydrophobicContact CB-CG 4Å; F88-L115 HydrophobicContact CD2-CD1 4.26Å; F88-L115 HydrophobicContact CG-CD1 4.36Å; L91-L115 HydrophobicContact CB-CD2 3.92Å; L91-L115 VanDerWaalsContact O-CD2 3.32Å; L91-L115 WeakPolarHBondContact O-CD2 3.33Å; L94-L115 HydrophobicContact CB-CD2 4.05Å; L94-L115 HydrophobicContact CD2-CD1 4.38Å; L94-L115 HydrophobicContact CD2-CD2 3.81Å; L97-L115 HydrophobicContact CD2-CD1 4.1Å; F112-L115 HydrophobicContact CB-CD1 4.02Å; F112-L115 HydrophobicContact CD1-CD1 3.74Å; F112-L115 HydrophobicContact CG-CD1 4.28Å; F112-L115 WeakPolarHBondContact O-CB 3.27Å; F112-L115 PolarHBondContact O-N 3.45Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.94Å; L115-L118 HydrophobicContact CB-CB 3.98Å; L115-L118 HydrophobicContact CB-CD2 4.39Å; L115-L118 HydrophobicContact CD1-CD2 3.97Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 3.48Å; L115-T139 HydrophobicContact CB-CG2 4.05Å
116	R	93	Very high	96.9	Very high	184 Å²	184	43.9 Å²	43.9	69%	0.694	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-30.2	-172.2	-63.8	-177.8	-177.7	-168	1.1	113.8	G114 N141	G114-R116 VanDerWaalsContact C-N 3.26Å; G114-R116 PolarHBondContact O-N 3.37Å; R116-N141 PolarHBondContact O-ND2 2.85Å
117	S	96.6	Very high	97	Very high	52 Å²	52	46.1 Å²	46.1	36%	0.364	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-1.9	-179.6	-60.4	0	0	0	0	113.9	S92 L94 L115 A119	S92-S117 WeakPolarHBondContact O-CB 3.32Å; S92-S117 PolarHBondContact O-OG 2.97Å; S92-S117 VanDerWaalsContact O-OG 3.1Å; L94-S117 CarbonylContact O-C 3.57Å; L115-S117 VanDerWaalsContact C-N 3.33Å; L115-S117 PolarHBondContact O-N 2.94Å; S117-A119 PolarHBondContact O-N 3.33Å; S117-A119 VanDerWaalsContact O-N 3.1Å
118	L	97.9	Very high	97.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	20%	0.201	C	C	.	.			trans	-63.2	116.9	-172.4	-173.4	76.4	0	0	0	111.3	L94 L97 L115 L121 T139 N141 L142	L94-L118 HydrophobicContact CD2-CD1 4.33Å; L94-L118 HydrophobicContact CG-CD1 4.42Å; L94-L118 WeakPolarHBondContact O-CA 3.14Å; L94-L118 PolarHBondContact O-N 2.95Å; L97-L118 HydrophobicContact CB-CD1 3.71Å; L115-L118 HydrophobicContact CB-CB 3.98Å; L115-L118 HydrophobicContact CB-CD2 4.39Å; L115-L118 HydrophobicContact CD1-CD2 3.97Å; L115-L118 WeakPolarHBondContact O-CB 3.48Å; L115-L118 PolarHBondContact O-N 3.48Å; L118-L121 HydrophobicContact CD2-CB 4.3Å; L118-L121 HydrophobicContact CD2-CD2 4.26Å; L118-T139 HydrophobicContact CD2-CG2 4.17Å; L118-N141 CarbonylContact O-C 3.54Å; L118-L142 HydrophobicContact CD2-CD1 4.15Å; L118-L142 HydrophobicContact CG-CD1 4.17Å; L118-L142 WeakPolarHBondContact O-CA 3.5Å; L118-L142 PolarHBondContact O-N 3.12Å
119	A	98.3	Very high	97	Very high	12 Å²	12	51.4 Å²	51.4	10%	0.099	22%	0.219	C	C	.	.			trans	-105.7	-34	178.3	0	0	0	0	0	111.9	D95 S117 A143 S144	D95-A119 PolarHBondContact O-N 3.33Å; D95-A119 VanDerWaalsContact OD1-CB 3.22Å; D95-A119 WeakPolarHBondContact OD1-CB 3.36Å; S117-A119 PolarHBondContact O-N 3.33Å; S117-A119 VanDerWaalsContact O-N 3.1Å; A119-A143 HydrophobicContact CB-CB 4.18Å; A119-A143 WeakPolarHBondContact O-CA 3.29Å; A119-A143 WeakPolarHBondContact O-CB 3.41Å; A119-A143 PolarHBondContact O-N 3.29Å; A119-S144 PolarHBondContact O-N 3.49Å
120	H	98.6	Very high	97	Very high	54 Å²	54	48.9 Å²	48.9	25%	0.25	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120	-171.3	-63	-73.3	0	0	0	111.7	D95 F96 L97 S144	D95-H120 PolarHBondContact O-N 3.44Å; D95-H120 IonicContact OD2-CD2 3.76Å; F96-H120 WeakPolarHBondContact CA-O 3.46Å; F96-H120 HydrophobicContact CB-CB 4.35Å; F96-H120 HydrophobicContact CD2-CB 3.55Å; F96-H120 HydrophobicContact CE2-CB 4.31Å; F96-H120 HydrophobicContact CG-CB 4.34Å; L97-H120 PolarHBondContact N-O 3.36Å; H120-S144 VanDerWaalsContact ND1-CB 3.35Å; H120-S144 WeakPolarHBondContact ND1-CB 3.48Å
121	L	98.6	Very high	97	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	119.5	-177.6	179.6	56.4	0	0	0	111.8	L97 F112 L118 I123 F136 L142 S144 L145 S146	L97-L121 HydrophobicContact CB-CD1 4.03Å; L97-L121 HydrophobicContact CD2-CD1 3.95Å; L97-L121 HydrophobicContact CG-CD1 4Å; F112-L121 HydrophobicContact CD2-CD2 4.29Å; F112-L121 HydrophobicContact CE1-CD1 4.27Å; F112-L121 HydrophobicContact CE1-CD2 4.38Å; F112-L121 HydrophobicContact CE2-CD2 3.72Å; F112-L121 HydrophobicContact CZ-CD1 4.18Å; F112-L121 HydrophobicContact CZ-CD2 3.79Å; L118-L121 HydrophobicContact CD2-CB 4.3Å; L118-L121 HydrophobicContact CD2-CD2 4.26Å; L121-I123 HydrophobicContact CD1-CD1 3.88Å; L121-I123 HydrophobicContact CD1-CG1 3.75Å; L121-I123 HydrophobicContact CD2-CD1 3.9Å; L121-I123 HydrophobicContact CD2-CG1 4.46Å; L121-I123 HydrophobicContact CG-CD1 3.85Å; L121-I123 HydrophobicContact CG-CG1 3.85Å; L121-F136 HydrophobicContact CD2-CE1 3.62Å; L121-F136 HydrophobicContact CD2-CZ 4.35Å; L121-L142 HydrophobicContact CB-CD1 3.79Å; L121-S144 PolarHBondContact N-O 3.23Å; L121-L145 HydrophobicContact CB-CD1 4.06Å; L121-L145 HydrophobicContact CD2-CD1 3.9Å; L121-L145 HydrophobicContact CG-CD1 3.93Å; L121-S146 PolarHBondContact O-N 2.83Å
122	H	98.8	Very high	96.9	Very high	40 Å²	40	49.7 Å²	49.7	19%	0.185	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.5	179.3	-72.8	-101.9	0	0	0	110.5	F96 L97 N98 L99 E124	F96-H122 AromaticContact CE2-CD2 3.51Å; F96-H122 AromaticContact CE2-NE2 3.66Å; F96-H122 AromaticContact CZ-CD2 3.9Å; L97-H122 PolarHBondContact O-N 3.35Å; N98-H122 HydrophobicContact CB-CB 4.33Å; L99-H122 CarbonylContact C-O 3.47Å; L99-H122 WeakPolarHBondContact CA-O 3.26Å; L99-H122 WeakPolarHBondContact CB-O 3.18Å; L99-H122 PolarHBondContact N-O 3.27Å; H122-E124 WeakPolarHBondContact CA-OE2 3.15Å; H122-E124 VanDerWaalsContact CB-OE2 3.25Å; H122-E124 WeakPolarHBondContact CB-OE2 3.11Å; H122-E124 IonicContact CG-OE1 2.72Å; H122-E124 IonicContact CG-OE2 3.68Å; H122-E124 IonicContact ND1-OE1 2.89Å; H122-E124 PolarHBondContact ND1-OE1 2.79Å; H122-E124 IonicContact ND1-OE2 3.32Å; H122-E124 PolarHBondContact ND1-OE2 3.31Å
123	I	98.2	Very high	96.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	23%	0.234	C	C	.	.			trans	-133.8	21.2	176.7	-35.6	175.3	0	0	0	110.5	L99 L104 L107 F112 L121 N126 L128 S146 L147 N150	L99-I123 HydrophobicContact CB-CG2 4.36Å; L104-I123 HydrophobicContact CD1-CG2 3.95Å; L107-I123 HydrophobicContact CD1-CD1 4.13Å; F112-I123 HydrophobicContact CE2-CD1 4.29Å; F112-I123 HydrophobicContact CZ-CD1 3.74Å; L121-I123 HydrophobicContact CD1-CD1 3.88Å; L121-I123 HydrophobicContact CD1-CG1 3.75Å; L121-I123 HydrophobicContact CD2-CD1 3.9Å; L121-I123 HydrophobicContact CD2-CG1 4.46Å; L121-I123 HydrophobicContact CG-CD1 3.85Å; L121-I123 HydrophobicContact CG-CG1 3.85Å; I123-N126 PolarHBondContact O-ND2 2.95Å; I123-L128 HydrophobicContact CG2-CD1 3.76Å; I123-S146 CarbonylContact C-O 3.51Å; I123-S146 PolarHBondContact N-O 3.32Å; I123-L147 HydrophobicContact CB-CD2 4.16Å; I123-L147 HydrophobicContact CD1-CD2 4.49Å; I123-N150 PolarHBondContact O-ND2 3.5Å
124	E	98.6	Very high	96.8	Very high	9 Å²	9	46.3 Å²	46.3	4%	0.042	22%	0.224	C	C	.	.			trans	-64.5	161.4	175.2	66.1	-88.3	-154.9	0	0	113	Q100 S101 H122 N126 S146 H148	Q100-E124 VanDerWaalsContact CA-O 3.25Å; Q100-E124 WeakPolarHBondContact CA-O 3.29Å; Q100-E124 HydrophobicContact CB-CG 3.79Å; Q100-E124 WeakPolarHBondContact CB-O 3.37Å; Q100-E124 PolarHBondContact NE2-OE1 3.11Å; Q100-E124 VanDerWaalsContact NE2-OE1 3.13Å; S101-E124 PolarHBondContact N-O 3.27Å; H122-E124 WeakPolarHBondContact CA-OE2 3.15Å; H122-E124 VanDerWaalsContact CB-OE2 3.25Å; H122-E124 WeakPolarHBondContact CB-OE2 3.11Å; H122-E124 IonicContact CG-OE1 2.72Å; H122-E124 IonicContact CG-OE2 3.68Å; H122-E124 IonicContact ND1-OE1 2.89Å; H122-E124 PolarHBondContact ND1-OE1 2.79Å; H122-E124 IonicContact ND1-OE2 3.32Å; H122-E124 PolarHBondContact ND1-OE2 3.31Å; E124-N126 VanDerWaalsContact C-N 3.28Å; E124-N126 PolarHBondContact O-N 3.35Å; E124-N126 PolarHBondContact O-ND2 3.44Å; E124-S146 PolarHBondContact N-O 3.44Å; E124-S146 WeakPolarHBondContact OE2-CB 3.24Å; E124-H148 CarbonylContact C-O 3.5Å; E124-H148 WeakPolarHBondContact CA-O 3.43Å; E124-H148 WeakPolarHBondContact CB-CE1 3.3Å; E124-H148 WeakPolarHBondContact CB-ND1 3.47Å; E124-H148 VanDerWaalsContact CB-O 3.24Å; E124-H148 WeakPolarHBondContact CB-O 3.5Å; E124-H148 WeakPolarHBondContact CG-CE1 3.48Å
125	R	98.5	Very high	97	Very high	135 Å²	135	45.7 Å²	45.7	51%	0.509	22%	0.217	S	C	.	.	S	Bend	trans	55.2	42	176.8	-59.5	178.4	178.4	143.7	-1.5	113	S101 G102 H148 N149	S101-R125 WeakPolarHBondContact CA-O 3.05Å; G102-R125 PolarHBondContact N-O 3.29Å; R125-H148 PolarHBondContact N-O 3.3Å; R125-N149 VanDerWaalsContact CA-O 3.28Å; R125-N149 WeakPolarHBondContact CA-O 3.18Å; R125-N149 HydrophobicContact CG-CB 3.86Å; R125-N149 PolarHBondContact N-O 2.91Å
126	N	98.5	Very high	97	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.037	22%	0.218	C	C	.	.	S	Bend	trans	-113.7	-162.6	171.2	-82.9	-75.6	0	0	0	109.7	L99 G102 Q103 L104 I123 E124 L128 N150	L99-N126 PolarHBondContact O-ND2 3.5Å; G102-N126 VanDerWaalsContact CA-OD1 3.28Å; G102-N126 WeakPolarHBondContact CA-OD1 3.45Å; G102-N126 PolarHBondContact N-OD1 2.8Å; Q103-N126 PolarHBondContact N-OD1 3.11Å; L104-N126 HydrophobicContact CB-CB 4.05Å; L104-N126 WeakPolarHBondContact CB-OD1 3.32Å; L104-N126 PolarHBondContact N-OD1 3.37Å; I123-N126 PolarHBondContact O-ND2 2.95Å; E124-N126 VanDerWaalsContact C-N 3.28Å; E124-N126 PolarHBondContact O-N 3.35Å; E124-N126 PolarHBondContact O-ND2 3.44Å; N126-L128 HydrophobicContact CB-CG 4.4Å; N126-N150 WeakPolarHBondContact CA-OD1 3.47Å; N126-N150 WeakPolarHBondContact CB-OD1 3.45Å; N126-N150 PolarHBondContact N-OD1 3.04Å; N126-N150 PolarHBondContact O-OD1 2.64Å
127	R	98.1	Very high	97	Very high	130 Å²	130	44 Å²	44	49%	0.491	22%	0.217	S	C	.	.			trans	-120.5	25.7	-177.9	-59.2	-178.7	-175.2	172	2.4	112.3	L104 L105 R129 N150	L104-R127 CarbonylContact O-C 3.58Å; L104-R127 VanDerWaalsContact O-CA 3.31Å; L104-R127 WeakPolarHBondContact O-CA 3.07Å; L104-R127 PolarHBondContact O-N 3.1Å; L105-R127 HydrophobicContact CD2-CB 4.22Å; L105-R127 HydrophobicContact CG-CB 4.31Å; R127-R129 PolarHBondContact O-N 2.84Å; R127-N150 PolarHBondContact N-OD1 3.27Å
128	L	98	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.			trans	-64.8	132.6	-176.3	-64	174.1	0	0	0	110.7	L104 L107 I123 N126 L147 N150 H151 I152	L104-L128 HydrophobicContact CB-CD2 4.11Å; L104-L128 PolarHBondContact O-N 3.32Å; L104-L128 VanDerWaalsContact O-N 3.17Å; L107-L128 HydrophobicContact CD1-CD1 4.27Å; L107-L128 HydrophobicContact CD1-CD2 4.41Å; L107-L128 HydrophobicContact CG-CD2 4.09Å; I123-L128 HydrophobicContact CG2-CD1 3.76Å; N126-L128 HydrophobicContact CB-CG 4.4Å; L128-L147 HydrophobicContact CD1-CD2 4.37Å; L128-N150 HydrophobicContact CB-CB 4.32Å; L128-N150 WeakPolarHBondContact CB-OD1 3.24Å; L128-N150 PolarHBondContact N-OD1 3.49Å; L128-H151 CarbonylContact O-C 3.57Å; L128-H151 WeakPolarHBondContact O-CA 3.34Å; L128-H151 WeakPolarHBondContact O-CB 3.39Å; L128-H151 PolarHBondContact O-N 2.83Å; L128-I152 HydrophobicContact CB-CG1 4.41Å; L128-I152 PolarHBondContact O-N 3.08Å; L128-I152 VanDerWaalsContact O-N 3.15Å
129	R	96.1	Very high	96.7	Very high	181 Å²	181	44.5 Å²	44.5	68%	0.683	22%	0.216	S	C	*	.			trans	-96.2	-15.9	176.5	-66.1	-175.5	179.2	-175.5	0	114.1	R127 H151 I152 S153	R127-R129 PolarHBondContact O-N 2.84Å; R129-H151 WeakPolarHBondContact CA-O 3.47Å; R129-H151 HydrophobicContact CG-CB 4.34Å; R129-I152 WeakPolarHBondContact O-CA 3.09Å; R129-S153 PolarHBondContact O-N 2.95Å
130	G	95.8	Very high	96.4	Very high	32 Å²	32	47.1 Å²	47.1	33%	0.33	23%	0.231	S	C	.	.			trans	179.5	168.5	-179.5	0	0	0	0	0	109.9
131	L	96.4	Very high	96.3	Very high	19 Å²	19	48.2 Å²	48.2	10%	0.099	24%	0.239	C	C	.	.			trans	-120	144.8	172.8	-64.9	99.2	0	0	0	109.5	L107 I135 F136 L147 I152 L159	L107-L131 HydrophobicContact CD1-CD2 4.25Å; L131-I135 HydrophobicContact CB-CG2 4.4Å; L131-I135 HydrophobicContact CD2-CD1 4.47Å; L131-I135 HydrophobicContact CD2-CG2 4.36Å; L131-F136 HydrophobicContact CD2-CE2 4.45Å; L131-F136 HydrophobicContact CD2-CZ 4.13Å; L131-L147 HydrophobicContact CD1-CD1 3.83Å; L131-L147 HydrophobicContact CD1-CD2 4.13Å; L131-L147 HydrophobicContact CD2-CD1 4.36Å; L131-L147 HydrophobicContact CD2-CD2 4.07Å; L131-I152 HydrophobicContact CD1-CD1 3.63Å; L131-I152 HydrophobicContact CD1-CG1 4.38Å; L131-L159 HydrophobicContact CB-CD1 3.86Å; L131-L159 HydrophobicContact CB-CD2 4.29Å; L131-L159 HydrophobicContact CD1-CD2 4.38Å
132	P	95.3	Very high	96.2	Very high	40 Å²	40	48.2 Å²	48.2	26%	0.26	24%	0.239	S	C	.	.			trans	-60.3	135.8	169.6	-19.2	30.9	0	0	0	111.2	L107 H109 S134 I135 L159	L107-P132 VanDerWaalsContact O-CG 3.3Å; L107-P132 WeakPolarHBondContact O-CG 3.35Å; H109-P132 HydrophobicContact CB-CB 3.73Å; H109-P132 HydrophobicContact CB-CG 4.19Å; P132-S134 PolarHBondContact O-N 3.2Å; P132-S134 VanDerWaalsContact O-N 3.1Å; P132-I135 HydrophobicContact CB-CB 4.47Å; P132-I135 WeakPolarHBondContact O-CB 3.36Å; P132-I135 VanDerWaalsContact O-CG2 3.28Å; P132-I135 WeakPolarHBondContact O-CG2 3.25Å; P132-I135 PolarHBondContact O-N 2.9Å; P132-I135 VanDerWaalsContact O-N 3.13Å; P132-L159 WeakPolarHBondContact O-CD1 3.43Å
133	G	94.4	Very high	96.2	Very high	20 Å²	20	47 Å²	47	21%	0.206	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.8	-175.4	0	0	0	0	0	115.5	L159	G133-L159 WeakPolarHBondContact O-CA 3.43Å
134	S	94.8	Very high	96.2	Very high	42 Å²	42	47.4 Å²	47.4	29%	0.294	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	7.8	179.6	67.7	0	0	0	0	114.3	P132 F136 Q137	P132-S134 PolarHBondContact O-N 3.2Å; P132-S134 VanDerWaalsContact O-N 3.1Å; S134-F136 PolarHBondContact O-N 3.04Å; S134-Q137 WeakPolarHBondContact O-CB 3.13Å; S134-Q137 PolarHBondContact O-N 2.93Å; S134-Q137 VanDerWaalsContact O-N 3.16Å
135	I	96.8	Very high	96.2	Very high	2 Å²	2	47 Å²	47	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.3	-170.4	-164.7	169.5	0	0	0	113.5	L107 F112 L131 P132 L159	L107-I135 HydrophobicContact CB-CD1 3.64Å; L107-I135 HydrophobicContact CD1-CD1 3.72Å; L107-I135 HydrophobicContact CG-CD1 4.33Å; F112-I135 HydrophobicContact CD2-CD1 4.09Å; F112-I135 HydrophobicContact CD2-CG1 3.7Å; F112-I135 HydrophobicContact CE2-CD1 3.69Å; F112-I135 HydrophobicContact CE2-CG1 3.84Å; L131-I135 HydrophobicContact CB-CG2 4.4Å; L131-I135 HydrophobicContact CD2-CD1 4.47Å; L131-I135 HydrophobicContact CD2-CG2 4.36Å; P132-I135 HydrophobicContact CB-CB 4.47Å; P132-I135 WeakPolarHBondContact O-CB 3.36Å; P132-I135 VanDerWaalsContact O-CG2 3.28Å; P132-I135 WeakPolarHBondContact O-CG2 3.25Å; P132-I135 PolarHBondContact O-N 2.9Å; P132-I135 VanDerWaalsContact O-N 3.13Å; I135-L159 HydrophobicContact CG2-CD1 3.8Å
136	F	96.6	Very high	96.3	Very high	5 Å²	5	40.8 Å²	40.8	2%	0.022	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.3	-179.3	-58.1	-54.4	0	0	0	114.3	F112 L121 L131 S134 N138 T139 L142 L145 L159 F160 L163	F112-F136 HydrophobicContact CD2-CD1 4.14Å; F112-F136 AromaticContact CD2-CE1 3.96Å; F112-F136 HydrophobicContact CD2-CE1 3.96Å; F112-F136 HydrophobicContact CE2-CD1 4.45Å; F112-F136 AromaticContact CE2-CE1 3.82Å; F112-F136 HydrophobicContact CE2-CE1 3.82Å; L121-F136 HydrophobicContact CD2-CE1 3.62Å; L121-F136 HydrophobicContact CD2-CZ 4.35Å; L131-F136 HydrophobicContact CD2-CE2 4.45Å; L131-F136 HydrophobicContact CD2-CZ 4.13Å; S134-F136 PolarHBondContact O-N 3.04Å; F136-N138 PolarHBondContact O-N 2.82Å; F136-T139 WeakPolarHBondContact CA-OG1 3.35Å; F136-T139 PolarHBondContact O-N 3.46Å; F136-T139 PolarHBondContact O-OG1 3.29Å; F136-T139 VanDerWaalsContact O-OG1 3.14Å; F136-L142 HydrophobicContact CD1-CD2 4.03Å; F136-L142 HydrophobicContact CE1-CD2 4.13Å; F136-L142 HydrophobicContact CG-CD2 4.47Å; F136-L145 HydrophobicContact CE1-CD2 4.49Å; F136-L145 HydrophobicContact CE2-CD2 3.71Å; F136-L145 HydrophobicContact CZ-CD1 4.07Å; F136-L145 HydrophobicContact CZ-CD2 3.62Å; F136-L159 HydrophobicContact CD2-CD1 4.09Å; F136-L159 HydrophobicContact CD2-CG 4.39Å; F136-L159 WeakPolarHBondContact CD2-O 3.24Å; F136-L159 HydrophobicContact CE2-CD1 4Å; F136-L159 HydrophobicContact CE2-CG 4.26Å; F136-F160 HydrophobicContact CD2-CD1 4.43Å; F136-F160 HydrophobicContact CE2-CD1 4.44Å; F136-F160 HydrophobicContact CE2-CE1 4.26Å; F136-L163 HydrophobicContact CB-CD1 4.22Å; F136-L163 HydrophobicContact CB-CD2 4.39Å; F136-L163 HydrophobicContact CD2-CD1 4.34Å; F136-L163 HydrophobicContact CG-CD1 4.4Å
137	Q	92.9	Very high	96.2	Very high	144 Å²	144	40.5 Å²	40.5	67%	0.673	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24	-177.5	-170.7	177.3	12.2	0	0	113.3	S134	S134-Q137 WeakPolarHBondContact O-CB 3.13Å; S134-Q137 PolarHBondContact O-N 2.93Å; S134-Q137 VanDerWaalsContact O-N 3.16Å
138	N	91.3	Very high	96.3	Very high	63 Å²	63	35.7 Å²	35.7	34%	0.337	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	9	-179.4	-67.2	-82.4	0	0	0	113.8	F136 P140	F136-N138 PolarHBondContact O-N 2.82Å; N138-P140 VanDerWaalsContact C-CD 3.44Å
139	T	95.4	Very high	96.3	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.			trans	-126.8	61.9	-178.2	58.8	0	0	0	0	110.9	F112 L115 L118 F136 N141 L142 L163	F112-T139 HydrophobicContact CB-CG2 3.81Å; L115-T139 HydrophobicContact CB-CG2 4.05Å; L118-T139 HydrophobicContact CD2-CG2 4.17Å; F136-T139 WeakPolarHBondContact CA-OG1 3.35Å; F136-T139 PolarHBondContact O-N 3.46Å; F136-T139 PolarHBondContact O-OG1 3.29Å; F136-T139 VanDerWaalsContact O-OG1 3.14Å; T139-N141 PolarHBondContact O-N 3.45Å; T139-L142 PolarHBondContact O-N 2.01Å; T139-L163 WeakPolarHBondContact O-CD2 3.41Å
140	P	93.1	Very high	96.4	Very high	66 Å²	66	30.7 Å²	30.7	43%	0.429	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-16.5	-172.5	30.4	-37.2	0	0	0	114.1	N138 L142	N138-P140 VanDerWaalsContact C-CD 3.44Å; P140-L142 VanDerWaalsContact C-N 3.32Å
141	N	95.7	Very high	96.5	Very high	78 Å²	78	34 Å²	34	42%	0.417	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5.1	-179.4	-66.1	-38.3	0	0	0	113.3	R116 L118 T139 A143	R116-N141 PolarHBondContact O-ND2 2.85Å; L118-N141 CarbonylContact O-C 3.54Å; T139-N141 PolarHBondContact O-N 3.45Å; N141-A143 PolarHBondContact O-N 3.43Å
142	L	97.9	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.185	C	C	.	.			trans	-60	116.9	-177.2	-164.3	70	0	0	0	110.4	L118 L121 F136 T139 P140 L145 L163 M166	L118-L142 HydrophobicContact CD2-CD1 4.15Å; L118-L142 HydrophobicContact CG-CD1 4.17Å; L118-L142 WeakPolarHBondContact O-CA 3.5Å; L118-L142 PolarHBondContact O-N 3.12Å; L121-L142 HydrophobicContact CB-CD1 3.79Å; F136-L142 HydrophobicContact CD1-CD2 4.03Å; F136-L142 HydrophobicContact CE1-CD2 4.13Å; F136-L142 HydrophobicContact CG-CD2 4.47Å; T139-L142 PolarHBondContact O-N 2.01Å; P140-L142 VanDerWaalsContact C-N 3.32Å; L142-L145 HydrophobicContact CD2-CB 4.16Å; L142-L145 HydrophobicContact CD2-CD2 4.3Å; L142-L163 HydrophobicContact CB-CD2 4.17Å; L142-L163 HydrophobicContact CD2-CD1 4.27Å; L142-M166 WeakPolarHBondContact O-CA 3.35Å; L142-M166 PolarHBondContact O-N 3.03Å
143	A	98.3	Very high	96.7	Very high	15 Å²	15	33.7 Å²	33.7	12%	0.124	19%	0.189	C	C	.	.			trans	-102.8	-33.1	-173.6	0	0	0	0	0	111.6	A119 N141 M166 W167 F168	A119-A143 HydrophobicContact CB-CB 4.18Å; A119-A143 WeakPolarHBondContact O-CA 3.29Å; A119-A143 WeakPolarHBondContact O-CB 3.41Å; A119-A143 PolarHBondContact O-N 3.29Å; N141-A143 PolarHBondContact O-N 3.43Å; A143-M166 CarbonylContact O-C 3.39Å; A143-M166 WeakPolarHBondContact O-CA 3.31Å; A143-M166 WeakPolarHBondContact O-CG 3.49Å; A143-W167 PolarHBondContact O-N 3.44Å; A143-F168 PolarHBondContact O-N 2.94Å
144	S	98.8	Very high	96.7	Very high	7 Å²	7	42.2 Å²	42.2	5%	0.049	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	130.6	-178.7	-179.6	0	0	0	0	111.5	A119 H120 L121 F168	A119-S144 PolarHBondContact O-N 3.49Å; H120-S144 VanDerWaalsContact ND1-CB 3.35Å; H120-S144 WeakPolarHBondContact ND1-CB 3.48Å; L121-S144 PolarHBondContact N-O 3.23Å; S144-F168 WeakPolarHBondContact CA-O 3.45Å; S144-F168 VanDerWaalsContact OG-CD1 3.23Å; S144-F168 WeakPolarHBondContact OG-CD1 3.2Å
145	L	98.8	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.2	178	177.9	59.7	0	0	0	111.7	L121 F136 L142 L147 F160 M166 F168 L169 N170	L121-L145 HydrophobicContact CB-CD1 4.06Å; L121-L145 HydrophobicContact CD2-CD1 3.9Å; L121-L145 HydrophobicContact CG-CD1 3.93Å; F136-L145 HydrophobicContact CE1-CD2 4.49Å; F136-L145 HydrophobicContact CE2-CD2 3.71Å; F136-L145 HydrophobicContact CZ-CD1 4.07Å; F136-L145 HydrophobicContact CZ-CD2 3.62Å; L142-L145 HydrophobicContact CD2-CB 4.16Å; L142-L145 HydrophobicContact CD2-CD2 4.3Å; L145-L147 HydrophobicContact CD1-CD1 4.38Å; L145-L147 HydrophobicContact CD1-CG 4.08Å; L145-L147 HydrophobicContact CD2-CD1 3.87Å; L145-L147 HydrophobicContact CD2-CG 4.42Å; L145-L147 HydrophobicContact CG-CD1 4.08Å; L145-L147 HydrophobicContact CG-CG 4.09Å; L145-F160 HydrophobicContact CD2-CD1 4.39Å; L145-F160 HydrophobicContact CD2-CE1 3.72Å; L145-M166 HydrophobicContact CB-SD 4.05Å; L145-F168 PolarHBondContact N-O 3.07Å; L145-F168 VanDerWaalsContact N-O 3.09Å; L145-L169 HydrophobicContact CB-CD1 4.1Å; L145-L169 HydrophobicContact CD2-CD1 3.99Å; L145-L169 HydrophobicContact CG-CD1 4.15Å; L145-N170 PolarHBondContact O-N 2.98Å
146	S	98.6	Very high	96.8	Very high	6 Å²	6	44.7 Å²	44.7	4%	0.042	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.3	173.6	-72	0	0	0	0	111.8	L121 I123 E124 F168	L121-S146 PolarHBondContact O-N 2.83Å; I123-S146 CarbonylContact C-O 3.51Å; I123-S146 PolarHBondContact N-O 3.32Å; E124-S146 PolarHBondContact N-O 3.44Å; E124-S146 WeakPolarHBondContact OE2-CB 3.24Å; S146-F168 WeakPolarHBondContact OG-CE1 3.05Å
147	L	98.4	Very high	96.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.249	C	C	.	.			trans	-126.4	13	178.2	-73.2	170	0	0	0	112.4	I123 L128 L131 L145 N150 I152 N170 L171 N174	I123-L147 HydrophobicContact CB-CD2 4.16Å; I123-L147 HydrophobicContact CD1-CD2 4.49Å; L128-L147 HydrophobicContact CD1-CD2 4.37Å; L131-L147 HydrophobicContact CD1-CD1 3.83Å; L131-L147 HydrophobicContact CD1-CD2 4.13Å; L131-L147 HydrophobicContact CD2-CD1 4.36Å; L131-L147 HydrophobicContact CD2-CD2 4.07Å; L145-L147 HydrophobicContact CD1-CD1 4.38Å; L145-L147 HydrophobicContact CD1-CG 4.08Å; L145-L147 HydrophobicContact CD2-CD1 3.87Å; L145-L147 HydrophobicContact CD2-CG 4.42Å; L145-L147 HydrophobicContact CG-CD1 4.08Å; L145-L147 HydrophobicContact CG-CG 4.09Å; L147-N150 PolarHBondContact O-ND2 3.08Å; L147-I152 HydrophobicContact CB-CD1 4.14Å; L147-I152 HydrophobicContact CD1-CD1 4.4Å; L147-I152 HydrophobicContact CD2-CD1 4.41Å; L147-N170 CarbonylContact C-O 3.6Å; L147-N170 WeakPolarHBondContact CA-O 3.31Å; L147-N170 PolarHBondContact N-O 3.34Å; L147-L171 HydrophobicContact CB-CD2 4.07Å; L147-L171 HydrophobicContact CD1-CD2 3.83Å; L147-N174 PolarHBondContact O-ND2 3.22Å
148	H	98.7	Very high	96.8	Very high	29 Å²	29	52.1 Å²	52.1	13%	0.134	25%	0.252	C	S	.	.			trans	-67.1	158.9	-173.9	67.8	-94.6	0	0	0	113.2	E124 R125 N150 N170 G172	E124-H148 CarbonylContact C-O 3.5Å; E124-H148 WeakPolarHBondContact CA-O 3.43Å; E124-H148 WeakPolarHBondContact CB-CE1 3.3Å; E124-H148 WeakPolarHBondContact CB-ND1 3.47Å; E124-H148 VanDerWaalsContact CB-O 3.24Å; E124-H148 WeakPolarHBondContact CB-O 3.5Å; E124-H148 WeakPolarHBondContact CG-CE1 3.48Å; R125-H148 PolarHBondContact N-O 3.3Å; H148-N150 VanDerWaalsContact C-N 3.33Å; H148-N150 PolarHBondContact O-N 3.29Å; H148-N150 PolarHBondContact O-ND2 3.24Å; H148-N170 WeakPolarHBondContact CB-OD1 3.32Å; H148-N170 PolarHBondContact N-O 3.46Å; H148-N170 PolarHBondContact ND1-ND2 3.1Å; H148-G172 CarbonylContact C-O 3.44Å; H148-G172 WeakPolarHBondContact CA-O 3.44Å; H148-G172 VanDerWaalsContact CB-O 3.28Å; H148-G172 WeakPolarHBondContact CB-O 3.16Å
149	N	98.6	Very high	97.1	Very high	71 Å²	71	49.3 Å²	49.3	38%	0.38	24%	0.237	S	C	.	.	S	Bend	trans	55.1	46.8	179.8	-72.7	71.8	0	0	0	112.6	R125 G172 W173	R125-N149 VanDerWaalsContact CA-O 3.28Å; R125-N149 WeakPolarHBondContact CA-O 3.18Å; R125-N149 HydrophobicContact CG-CB 3.86Å; R125-N149 PolarHBondContact N-O 2.91Å; N149-G172 PolarHBondContact N-O 2.71Å; N149-W173 VanDerWaalsContact CA-O 3.28Å; N149-W173 WeakPolarHBondContact CA-O 3.29Å; N149-W173 PolarHBondContact N-O 3.04Å; N149-W173 WeakPolarHBondContact OD1-CB 3.43Å
150	N	98.7	Very high	97.2	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.027	24%	0.237	C	C	.	.	S	Bend	trans	-115.2	-165.9	169.5	-86.1	-79.5	0	0	0	109.5	I123 N126 R127 L128 L147 H148 I152 N174	I123-N150 PolarHBondContact O-ND2 3.5Å; N126-N150 WeakPolarHBondContact CA-OD1 3.47Å; N126-N150 WeakPolarHBondContact CB-OD1 3.45Å; N126-N150 PolarHBondContact N-OD1 3.04Å; N126-N150 PolarHBondContact O-OD1 2.64Å; R127-N150 PolarHBondContact N-OD1 3.27Å; L128-N150 HydrophobicContact CB-CB 4.32Å; L128-N150 WeakPolarHBondContact CB-OD1 3.24Å; L128-N150 PolarHBondContact N-OD1 3.49Å; L147-N150 PolarHBondContact O-ND2 3.08Å; H148-N150 VanDerWaalsContact C-N 3.33Å; H148-N150 PolarHBondContact O-N 3.29Å; H148-N150 PolarHBondContact O-ND2 3.24Å; N150-I152 HydrophobicContact CB-CD1 4.23Å; N150-I152 HydrophobicContact CB-CG1 4.07Å; N150-N174 WeakPolarHBondContact CA-OD1 3.36Å; N150-N174 WeakPolarHBondContact CB-OD1 3.29Å; N150-N174 PolarHBondContact N-OD1 3.41Å; N150-N174 PolarHBondContact O-OD1 2.86Å
151	H	98.1	Very high	97.3	Very high	102 Å²	102	48.8 Å²	48.8	47%	0.472	24%	0.237	S	C	.	.			trans	-115.3	29.2	177	-59.6	-41.8	0	0	0	112.2	L128 R129 S153 N174	L128-H151 CarbonylContact O-C 3.57Å; L128-H151 WeakPolarHBondContact O-CA 3.34Å; L128-H151 WeakPolarHBondContact O-CB 3.39Å; L128-H151 PolarHBondContact O-N 2.83Å; R129-H151 WeakPolarHBondContact CA-O 3.47Å; R129-H151 HydrophobicContact CG-CB 4.34Å; H151-S153 PolarHBondContact O-N 3.06Å; H151-N174 PolarHBondContact N-OD1 2.86Å
152	I	98.3	Very high	97.3	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	24%	0.239	C	C	.	.			trans	-68.2	120.8	-175.4	-58.5	167.4	0	0	0	108.7	L128 R129 L131 L147 N150 R154 I155 N174 S175 L176	L128-I152 HydrophobicContact CB-CG1 4.41Å; L128-I152 PolarHBondContact O-N 3.08Å; L128-I152 VanDerWaalsContact O-N 3.15Å; R129-I152 WeakPolarHBondContact O-CA 3.09Å; L131-I152 HydrophobicContact CD1-CD1 3.63Å; L131-I152 HydrophobicContact CD1-CG1 4.38Å; L147-I152 HydrophobicContact CB-CD1 4.14Å; L147-I152 HydrophobicContact CD1-CD1 4.4Å; L147-I152 HydrophobicContact CD2-CD1 4.41Å; N150-I152 HydrophobicContact CB-CD1 4.23Å; N150-I152 HydrophobicContact CB-CG1 4.07Å; I152-R154 WeakPolarHBondContact CG2-O 3.41Å; I152-I155 HydrophobicContact CG2-CG1 4.3Å; I152-N174 HydrophobicContact CB-CB 4.29Å; I152-N174 VanDerWaalsContact CB-OD1 3.31Å; I152-N174 WeakPolarHBondContact CB-OD1 3.22Å; I152-N174 WeakPolarHBondContact CG1-OD1 3.33Å; I152-N174 PolarHBondContact N-OD1 3.13Å; I152-S175 CarbonylContact O-C 3.6Å; I152-S175 VanDerWaalsContact O-C 3.27Å; I152-S175 WeakPolarHBondContact O-CA 3.4Å; I152-S175 PolarHBondContact O-N 3.1Å; I152-L176 HydrophobicContact CG2-CD2 3.83Å; I152-L176 PolarHBondContact O-N 2.79Å
153	S	96.8	Very high	97.2	Very high	51 Å²	51	47.2 Å²	47.2	36%	0.357	24%	0.24	S	C	.	.			trans	-108	-20	-177.7	59.7	0	0	0	0	113.6	R129 H151	R129-S153 PolarHBondContact O-N 2.95Å; H151-S153 PolarHBondContact O-N 3.06Å
154	R	95.4	Very high	97	Very high	200 Å²	200	49 Å²	49	76%	0.755	25%	0.251	S	S	*	.			trans	-144.9	149	-179.3	-62.1	-177.3	-179.3	172.4	-0.4	109.7	I152	I152-R154 WeakPolarHBondContact CG2-O 3.41Å
155	I	96.4	Very high	96.9	Very high	15 Å²	15	54.5 Å²	54.5	8%	0.077	28%	0.276	C	S	.	.			trans	-120.2	135.2	173	-68	169	0	0	0	107.5	I152 L159 F160 L171 L176 L179 P180 V183	I152-I155 HydrophobicContact CG2-CG1 4.3Å; I155-L159 HydrophobicContact CG2-CB 3.99Å; I155-L159 HydrophobicContact CG2-CD2 3.72Å; I155-F160 HydrophobicContact CG2-CE2 4.2Å; I155-L171 HydrophobicContact CD1-CD1 3.7Å; I155-L171 HydrophobicContact CD1-CD2 4.1Å; I155-L176 HydrophobicContact CD1-CD1 3.82Å; I155-L176 HydrophobicContact CD1-CD2 3.77Å; I155-L176 HydrophobicContact CD1-CG 4.48Å; I155-L176 HydrophobicContact CG1-CD2 3.75Å; I155-L179 HydrophobicContact CD1-CD2 3.84Å; I155-P180 WeakPolarHBondContact O-CG 3.14Å; I155-V183 HydrophobicContact CB-CG2 4.44Å; I155-V183 HydrophobicContact CG2-CG2 3.45Å; I155-V183 VanDerWaalsContact CG2-CG2 3.45Å
156	D	95.8	Very high	96.8	Very high	80 Å²	80	54.5 Å²	54.5	43%	0.428	28%	0.276	S	S	.	.			trans	-68.6	139.4	171.2	-172	-80.3	0	0	0	110.2	R158 L159	D156-R158 PolarHBondContact O-N 2.91Å; D156-R158 VanDerWaalsContact O-N 3.15Å; D156-R158 PolarHBondContact OD1-N 3.31Å; D156-L159 HydrophobicContact CB-CB 4.34Å; D156-L159 VanDerWaalsContact O-CB 3.32Å; D156-L159 WeakPolarHBondContact O-CB 3.39Å; D156-L159 PolarHBondContact O-N 3.02Å; D156-L159 VanDerWaalsContact O-N 3.1Å
157	E	95.1	Very high	96.8	Very high	113 Å²	113	58.7 Å²	58.7	53%	0.528	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.5	-176.4	-172.3	178.5	172.4	0	0	112.9	P180 T182	E157-P180 HydrophobicContact CB-CB 4.04Å; E157-P180 HydrophobicContact CB-CG 4.38Å; E157-P180 HydrophobicContact CG-CB 4.04Å; E157-T182 WeakPolarHBondContact CG-OG1 3.34Å; E157-T182 PolarHBondContact OE1-OG1 2.93Å
158	R	95.1	Very high	96.8	Very high	193 Å²	193	60.4 Å²	60.4	73%	0.728	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	8.9	-177.8	-70.3	-171.9	163.8	153.8	-1.3	114.1	D156 F160 A161	D156-R158 PolarHBondContact O-N 2.91Å; D156-R158 VanDerWaalsContact O-N 3.15Å; D156-R158 PolarHBondContact OD1-N 3.31Å; R158-F160 PolarHBondContact O-N 3.5Å; R158-F160 VanDerWaalsContact O-N 3.11Å; R158-A161 HydrophobicContact CB-CB 4.32Å; R158-A161 VanDerWaalsContact O-CB 3.3Å; R158-A161 WeakPolarHBondContact O-CB 3.4Å; R158-A161 PolarHBondContact O-N 3.27Å
159	L	97.3	Very high	96.8	Very high	4 Å²	4	59 Å²	59	2%	0.021	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-39.9	-175.8	-178.3	61.3	0	0	0	112.6	L131 P132 G133 I135 F136 I155 D156	L131-L159 HydrophobicContact CB-CD1 3.86Å; L131-L159 HydrophobicContact CB-CD2 4.29Å; L131-L159 HydrophobicContact CD1-CD2 4.38Å; P132-L159 WeakPolarHBondContact O-CD1 3.43Å; G133-L159 WeakPolarHBondContact O-CA 3.43Å; I135-L159 HydrophobicContact CG2-CD1 3.8Å; F136-L159 HydrophobicContact CD2-CD1 4.09Å; F136-L159 HydrophobicContact CD2-CG 4.39Å; F136-L159 WeakPolarHBondContact CD2-O 3.24Å; F136-L159 HydrophobicContact CE2-CD1 4Å; F136-L159 HydrophobicContact CE2-CG 4.26Å; I155-L159 HydrophobicContact CG2-CB 3.99Å; I155-L159 HydrophobicContact CG2-CD2 3.72Å; D156-L159 HydrophobicContact CB-CB 4.34Å; D156-L159 VanDerWaalsContact O-CB 3.32Å; D156-L159 WeakPolarHBondContact O-CB 3.39Å; D156-L159 PolarHBondContact O-N 3.02Å; D156-L159 VanDerWaalsContact O-N 3.1Å
160	F	97.3	Very high	96.9	Very high	3 Å²	3	56.5 Å²	56.5	1%	0.013	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	18.4	-177.1	-50.6	-60.6	0	0	0	113.9	F136 L145 I155 R158 G162 L163 L169 L171 V183 F184 L187	F136-F160 HydrophobicContact CD2-CD1 4.43Å; F136-F160 HydrophobicContact CE2-CD1 4.44Å; F136-F160 HydrophobicContact CE2-CE1 4.26Å; L145-F160 HydrophobicContact CD2-CD1 4.39Å; L145-F160 HydrophobicContact CD2-CE1 3.72Å; I155-F160 HydrophobicContact CG2-CE2 4.2Å; R158-F160 PolarHBondContact O-N 3.5Å; R158-F160 VanDerWaalsContact O-N 3.11Å; F160-G162 PolarHBondContact O-N 3.13Å; F160-L163 HydrophobicContact CB-CD1 4.18Å; F160-L163 HydrophobicContact CD1-CD1 4.12Å; F160-L163 PolarHBondContact O-N 3.25Å; F160-L169 HydrophobicContact CD2-CD2 4.43Å; F160-L169 HydrophobicContact CE1-CD1 4.08Å; F160-L169 HydrophobicContact CE1-CD2 4.47Å; F160-L169 HydrophobicContact CE2-CD2 3.98Å; F160-L169 HydrophobicContact CZ-CD1 4.05Å; F160-L169 HydrophobicContact CZ-CD2 4Å; F160-L171 HydrophobicContact CE2-CD1 4.37Å; F160-L171 HydrophobicContact CZ-CD1 4.29Å; F160-L171 HydrophobicContact CZ-CD2 4.46Å; F160-V183 HydrophobicContact CD2-CG2 3.96Å; F160-V183 HydrophobicContact CE2-CG2 4.1Å; F160-F184 HydrophobicContact CD2-CD1 4.22Å; F160-F184 HydrophobicContact CD2-CE1 4.29Å; F160-F184 HydrophobicContact CE2-CD1 4.41Å; F160-F184 HydrophobicContact CE2-CE1 4.03Å; F160-L187 HydrophobicContact CB-CD1 4.35Å; F160-L187 HydrophobicContact CB-CD2 3.94Å; F160-L187 HydrophobicContact CB-CG 4.38Å
161	A	95.7	Very high	96.9	Very high	51 Å²	51	56.3 Å²	56.3	42%	0.421	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	133.1	-178.6	0	0	0	0	0	111.3	R158 L163 D186	R158-A161 HydrophobicContact CB-CB 4.32Å; R158-A161 VanDerWaalsContact O-CB 3.3Å; R158-A161 WeakPolarHBondContact O-CB 3.4Å; R158-A161 PolarHBondContact O-N 3.27Å; A161-L163 VanDerWaalsContact C-N 3.32Å; A161-L163 PolarHBondContact O-N 3.17Å; A161-D186 WeakPolarHBondContact CA-OD2 3.39Å
162	G	94.6	Very high	96.9	Very high	45 Å²	45	51.4 Å²	51.4	46%	0.464	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	1	179	0	0	0	0	0	116.7	F160 S164 D186	F160-G162 PolarHBondContact O-N 3.13Å; G162-S164 PolarHBondContact O-N 2.95Å; G162-D186 PolarHBondContact N-OD2 3.41Å
163	L	96.6	Very high	96.9	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	28%	0.282	C	S	.	.			trans	-83.9	55.5	-178.1	-58.6	-175.8	0	0	0	113.2	F136 T139 L142 F160 A161 H165 M166 L187	F136-L163 HydrophobicContact CB-CD1 4.22Å; F136-L163 HydrophobicContact CB-CD2 4.39Å; F136-L163 HydrophobicContact CD2-CD1 4.34Å; F136-L163 HydrophobicContact CG-CD1 4.4Å; T139-L163 WeakPolarHBondContact O-CD2 3.41Å; L142-L163 HydrophobicContact CB-CD2 4.17Å; L142-L163 HydrophobicContact CD2-CD1 4.27Å; F160-L163 HydrophobicContact CB-CD1 4.18Å; F160-L163 HydrophobicContact CD1-CD1 4.12Å; F160-L163 PolarHBondContact O-N 3.25Å; A161-L163 VanDerWaalsContact C-N 3.32Å; A161-L163 PolarHBondContact O-N 3.17Å; L163-H165 VanDerWaalsContact C-N 3.25Å; L163-H165 PolarHBondContact O-N 3.46Å; L163-M166 HydrophobicContact CB-CB 4.42Å; L163-M166 WeakPolarHBondContact O-CB 3.49Å; L163-M166 PolarHBondContact O-N 3.26Å; L163-L187 HydrophobicContact CB-CD2 3.82Å; L163-L187 WeakPolarHBondContact O-CD2 3.4Å
164	S	94.9	Very high	97	Very high	52 Å²	52	56.8 Å²	56.8	36%	0.364	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21	-174.1	61	0	0	0	0	114.9	G162 D186 G189	G162-S164 PolarHBondContact O-N 2.95Å; S164-D186 WeakPolarHBondContact CA-O 3.04Å; S164-G189 PolarHBondContact O-N 2.93Å
165	H	94.9	Very high	97.1	Very high	122 Å²	122	48.7 Å²	48.7	57%	0.565	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-6.3	179.6	-62.1	97	0	0	0	113.6	L163 W167	L163-H165 VanDerWaalsContact C-N 3.25Å; L163-H165 PolarHBondContact O-N 3.46Å; H165-W167 PolarHBondContact O-N 3.47Å
166	M	98	Very high	97.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.			trans	-66.6	121.6	-178.3	-166.9	166.3	64	0	0	110.4	L142 A143 L145 L163 F168 L169 L187 G189 L190	L142-M166 WeakPolarHBondContact O-CA 3.35Å; L142-M166 PolarHBondContact O-N 3.03Å; A143-M166 CarbonylContact O-C 3.39Å; A143-M166 WeakPolarHBondContact O-CA 3.31Å; A143-M166 WeakPolarHBondContact O-CG 3.49Å; L145-M166 HydrophobicContact CB-SD 4.05Å; L163-M166 HydrophobicContact CB-CB 4.42Å; L163-M166 WeakPolarHBondContact O-CB 3.49Å; L163-M166 PolarHBondContact O-N 3.26Å; M166-F168 WeakPolarHBondContact CG-O 3.26Å; M166-L169 HydrophobicContact CE-CB 3.81Å; M166-L169 HydrophobicContact CE-CD1 4.16Å; M166-L169 HydrophobicContact CE-CD2 3.86Å; M166-L169 HydrophobicContact CE-CG 4.16Å; M166-L169 HydrophobicContact SD-CB 4.22Å; M166-L169 HydrophobicContact SD-CD1 4.28Å; M166-L187 HydrophobicContact CB-CD2 4.42Å; M166-L187 HydrophobicContact CE-CD1 3.34Å; M166-L187 HydrophobicContact CE-CD2 3.46Å; M166-L187 VanDerWaalsContact CE-CD2 3.46Å; M166-L187 HydrophobicContact CE-CG 3.97Å; M166-G189 CarbonylContact O-C 3.41Å; M166-L190 HydrophobicContact CE-CD1 4.12Å; M166-L190 HydrophobicContact CG-CD1 4.18Å; M166-L190 WeakPolarHBondContact O-CA 3.45Å; M166-L190 PolarHBondContact O-N 2.83Å
167	W	98.6	Very high	97.3	Very high	94 Å²	94	47.6 Å²	47.6	36%	0.356	24%	0.239	S	C	.	.			trans	-103.6	-22.2	176.8	70.3	-92	0	0	0	112.4	A143 H165 R191 E192	A143-W167 PolarHBondContact O-N 3.44Å; H165-W167 PolarHBondContact O-N 3.47Å; W167-R191 HydrophobicContact CB-CG 4.34Å; W167-R191 WeakPolarHBondContact O-CA 3.32Å; W167-R191 PolarHBondContact O-N 3Å; W167-E192 PolarHBondContact O-N 3.39Å
168	F	98.9	Very high	97.2	Very high	36 Å²	36	47.3 Å²	47.3	16%	0.158	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.4	-179.2	179.4	-93.6	0	0	0	112.3	A143 S144 L145 S146 M166 N170 E192	A143-F168 PolarHBondContact O-N 2.94Å; S144-F168 WeakPolarHBondContact CA-O 3.45Å; S144-F168 VanDerWaalsContact OG-CD1 3.23Å; S144-F168 WeakPolarHBondContact OG-CD1 3.2Å; L145-F168 PolarHBondContact N-O 3.07Å; L145-F168 VanDerWaalsContact N-O 3.09Å; S146-F168 WeakPolarHBondContact OG-CE1 3.05Å; M166-F168 WeakPolarHBondContact CG-O 3.26Å; F168-N170 HydrophobicContact CE1-CB 3.55Å; F168-N170 HydrophobicContact CZ-CB 3.58Å; F168-E192 HydrophobicContact CD2-CB 3.81Å; F168-E192 WeakPolarHBondContact CD2-OE2 3.13Å; F168-E192 HydrophobicContact CE2-CB 4.45Å
169	L	98.9	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	121.5	171.6	178.6	60.6	0	0	0	110.7	L145 F160 M166 L171 F184 L187 L190 E192 L193 N194	L145-L169 HydrophobicContact CB-CD1 4.1Å; L145-L169 HydrophobicContact CD2-CD1 3.99Å; L145-L169 HydrophobicContact CG-CD1 4.15Å; F160-L169 HydrophobicContact CD2-CD2 4.43Å; F160-L169 HydrophobicContact CE1-CD1 4.08Å; F160-L169 HydrophobicContact CE1-CD2 4.47Å; F160-L169 HydrophobicContact CE2-CD2 3.98Å; F160-L169 HydrophobicContact CZ-CD1 4.05Å; F160-L169 HydrophobicContact CZ-CD2 4Å; M166-L169 HydrophobicContact CE-CB 3.81Å; M166-L169 HydrophobicContact CE-CD1 4.16Å; M166-L169 HydrophobicContact CE-CD2 3.86Å; M166-L169 HydrophobicContact CE-CG 4.16Å; M166-L169 HydrophobicContact SD-CB 4.22Å; M166-L169 HydrophobicContact SD-CD1 4.28Å; L169-L171 HydrophobicContact CD1-CD1 4.45Å; L169-L171 HydrophobicContact CD1-CG 4.16Å; L169-L171 HydrophobicContact CD2-CD1 3.91Å; L169-L171 HydrophobicContact CD2-CG 4.45Å; L169-L171 HydrophobicContact CG-CD1 4.15Å; L169-L171 HydrophobicContact CG-CG 4.16Å; L169-F184 HydrophobicContact CD2-CD1 4.14Å; L169-F184 HydrophobicContact CD2-CE1 3.69Å; L169-L187 HydrophobicContact CD2-CD1 4.07Å; L169-L190 HydrophobicContact CB-CD1 3.9Å; L169-E192 PolarHBondContact N-O 2.95Å; L169-L193 HydrophobicContact CB-CD1 4.07Å; L169-L193 HydrophobicContact CD2-CD1 3.89Å; L169-L193 HydrophobicContact CG-CD1 4.03Å; L169-L193 WeakPolarHBondContact O-CA 3.16Å; L169-N194 PolarHBondContact O-N 3Å
170	N	98.9	Very high	97.2	Very high	18 Å²	18	40.2 Å²	40.2	10%	0.096	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.5	176.6	-170.9	-7	0	0	0	112.1	L145 L147 H148 F168 G172 N194	L145-N170 PolarHBondContact O-N 2.98Å; L147-N170 CarbonylContact C-O 3.6Å; L147-N170 WeakPolarHBondContact CA-O 3.31Å; L147-N170 PolarHBondContact N-O 3.34Å; H148-N170 WeakPolarHBondContact CB-OD1 3.32Å; H148-N170 PolarHBondContact N-O 3.46Å; H148-N170 PolarHBondContact ND1-ND2 3.1Å; F168-N170 HydrophobicContact CE1-CB 3.55Å; F168-N170 HydrophobicContact CZ-CB 3.58Å; N170-G172 PolarHBondContact OD1-N 2.92Å; N170-N194 HydrophobicContact CB-CB 4.29Å
171	L	98.8	Very high	97	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.245	C	C	.	.			trans	-111.2	14.7	176.2	-70.6	166.6	0	0	0	111.6	L147 I155 F160 L169 N174 L176 F184 N194 L195 N198	L147-L171 HydrophobicContact CB-CD2 4.07Å; L147-L171 HydrophobicContact CD1-CD2 3.83Å; I155-L171 HydrophobicContact CD1-CD1 3.7Å; I155-L171 HydrophobicContact CD1-CD2 4.1Å; F160-L171 HydrophobicContact CE2-CD1 4.37Å; F160-L171 HydrophobicContact CZ-CD1 4.29Å; F160-L171 HydrophobicContact CZ-CD2 4.46Å; L169-L171 HydrophobicContact CD1-CD1 4.45Å; L169-L171 HydrophobicContact CD1-CG 4.16Å; L169-L171 HydrophobicContact CD2-CD1 3.91Å; L169-L171 HydrophobicContact CD2-CG 4.45Å; L169-L171 HydrophobicContact CG-CD1 4.15Å; L169-L171 HydrophobicContact CG-CG 4.16Å; L171-N174 PolarHBondContact O-ND2 2.89Å; L171-L176 HydrophobicContact CB-CD1 4.18Å; L171-F184 HydrophobicContact CD1-CE1 4.21Å; L171-F184 HydrophobicContact CD1-CZ 4.3Å; L171-N194 CarbonylContact C-O 3.55Å; L171-N194 PolarHBondContact N-O 2.83Å; L171-L195 HydrophobicContact CB-CD2 3.95Å; L171-L195 HydrophobicContact CD1-CD2 3.99Å; L171-N198 PolarHBondContact O-ND2 2.94Å
172	G	98.7	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.			trans	-62.5	158.3	-175.1	0	0	0	0	0	113.8	H148 N149 N170 N174 N194 A196	H148-G172 CarbonylContact C-O 3.44Å; H148-G172 WeakPolarHBondContact CA-O 3.44Å; H148-G172 VanDerWaalsContact CB-O 3.28Å; H148-G172 WeakPolarHBondContact CB-O 3.16Å; N149-G172 PolarHBondContact N-O 2.71Å; N170-G172 PolarHBondContact OD1-N 2.92Å; G172-N174 VanDerWaalsContact C-N 3.3Å; G172-N174 PolarHBondContact O-N 3.49Å; G172-N174 PolarHBondContact O-ND2 3.22Å; G172-N174 VanDerWaalsContact O-ND2 3.15Å; G172-N194 PolarHBondContact N-O 3.37Å; G172-A196 CarbonylContact C-O 3.52Å; G172-A196 WeakPolarHBondContact CA-O 3.45Å
173	W	98.7	Very high	97.1	Very high	155 Å²	155	43.4 Å²	43.4	59%	0.587	22%	0.221	S	C	*	.	S	Bend	trans	51.1	47.5	175.9	-57	100.1	0	0	0	113.1	N149 A196 G197	N149-W173 VanDerWaalsContact CA-O 3.28Å; N149-W173 WeakPolarHBondContact CA-O 3.29Å; N149-W173 PolarHBondContact N-O 3.04Å; N149-W173 WeakPolarHBondContact OD1-CB 3.43Å; W173-A196 PolarHBondContact N-O 3.47Å; W173-G197 WeakPolarHBondContact CA-O 3.45Å
174	N	98.8	Very high	97.1	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.048	22%	0.221	C	C	.	.	S	Bend	trans	-113.3	-158.8	173.2	-87.3	-73.9	0	0	0	109.5	L147 N150 H151 I152 L171 G172 L176 N198	L147-N174 PolarHBondContact O-ND2 3.22Å; N150-N174 WeakPolarHBondContact CA-OD1 3.36Å; N150-N174 WeakPolarHBondContact CB-OD1 3.29Å; N150-N174 PolarHBondContact N-OD1 3.41Å; N150-N174 PolarHBondContact O-OD1 2.86Å; H151-N174 PolarHBondContact N-OD1 2.86Å; I152-N174 HydrophobicContact CB-CB 4.29Å; I152-N174 VanDerWaalsContact CB-OD1 3.31Å; I152-N174 WeakPolarHBondContact CB-OD1 3.22Å; I152-N174 WeakPolarHBondContact CG1-OD1 3.33Å; I152-N174 PolarHBondContact N-OD1 3.13Å; L171-N174 PolarHBondContact O-ND2 2.89Å; G172-N174 VanDerWaalsContact C-N 3.3Å; G172-N174 PolarHBondContact O-N 3.49Å; G172-N174 PolarHBondContact O-ND2 3.22Å; G172-N174 VanDerWaalsContact O-ND2 3.15Å; N174-L176 HydrophobicContact CB-CG 4.31Å; N174-N198 WeakPolarHBondContact CA-OD1 3.45Å; N174-N198 WeakPolarHBondContact CB-OD1 3.35Å; N174-N198 PolarHBondContact N-OD1 3.42Å
175	S	98	Very high	97.2	Very high	31 Å²	31	45.6 Å²	45.6	22%	0.217	23%	0.225	C	C	.	.			trans	-124	31	178.5	-68	0	0	0	0	112.3	I152 T177 N198	I152-S175 CarbonylContact O-C 3.6Å; I152-S175 VanDerWaalsContact O-C 3.27Å; I152-S175 WeakPolarHBondContact O-CA 3.4Å; I152-S175 PolarHBondContact O-N 3.1Å; S175-T177 PolarHBondContact O-N 2.95Å; S175-N198 PolarHBondContact N-OD1 3.33Å
176	L	98.2	Very high	97.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.			trans	-66.5	124.5	-178.1	-60.5	170.8	0	0	0	110.4	I152 I155 L171 N174 L179 L195 N198 R199 L200	I152-L176 HydrophobicContact CG2-CD2 3.83Å; I152-L176 PolarHBondContact O-N 2.79Å; I155-L176 HydrophobicContact CD1-CD1 3.82Å; I155-L176 HydrophobicContact CD1-CD2 3.77Å; I155-L176 HydrophobicContact CD1-CG 4.48Å; I155-L176 HydrophobicContact CG1-CD2 3.75Å; L171-L176 HydrophobicContact CB-CD1 4.18Å; N174-L176 HydrophobicContact CB-CG 4.31Å; L176-L179 HydrophobicContact CD1-CD2 4.24Å; L176-L195 HydrophobicContact CD1-CD2 4.43Å; L176-N198 HydrophobicContact CB-CB 4.17Å; L176-N198 VanDerWaalsContact CB-OD1 3.3Å; L176-N198 WeakPolarHBondContact CB-OD1 3.21Å; L176-N198 WeakPolarHBondContact CG-OD1 3.17Å; L176-N198 PolarHBondContact N-OD1 3.41Å; L176-R199 CarbonylContact O-C 3.14Å; L176-R199 VanDerWaalsContact O-C 3.22Å; L176-R199 VanDerWaalsContact O-CA 3.25Å; L176-R199 WeakPolarHBondContact O-CA 3.36Å; L176-R199 WeakPolarHBondContact O-CB 3.36Å; L176-R199 PolarHBondContact O-N 3.46Å; L176-L200 HydrophobicContact CB-CD2 4.14Å; L176-L200 PolarHBondContact O-N 2.9Å
177	T	96.4	Very high	97.2	Very high	72 Å²	72	42.6 Å²	42.6	44%	0.442	21%	0.213	S	C	.	.			trans	-105.2	-33.4	179.2	48.6	0	0	0	0	112.5	S175 R199	S175-T177 PolarHBondContact O-N 2.95Å; T177-R199 HydrophobicContact CG2-CB 3.86Å
178	V	94.8	Very high	97.1	Very high	106 Å²	106	43.6 Å²	43.6	64%	0.642	22%	0.222	S	C	*	.			trans	-140.8	142.1	179.9	-178.8	0	0	0	0	108.2
179	L	96.1	Very high	97	Very high	17 Å²	17	43 Å²	43	9%	0.089	23%	0.226	C	C	.	.			trans	-109.4	134.9	170.4	-68	170.2	0	0	0	108.6	I155 L176 V183 F184 L195 L200 L207	I155-L179 HydrophobicContact CD1-CD2 3.84Å; L176-L179 HydrophobicContact CD1-CD2 4.24Å; L179-V183 HydrophobicContact CB-CG1 4.35Å; L179-F184 HydrophobicContact CD1-CE2 4.09Å; L179-F184 HydrophobicContact CD1-CZ 4.27Å; L179-F184 HydrophobicContact CD2-CZ 4.49Å; L179-L195 HydrophobicContact CD1-CD1 4Å; L179-L195 HydrophobicContact CD1-CD2 4.2Å; L179-L200 HydrophobicContact CD1-CD1 3.96Å; L179-L200 HydrophobicContact CD1-CD2 4.15Å; L179-L200 HydrophobicContact CG-CD2 3.92Å; L179-L207 HydrophobicContact CB-CD1 4.01Å; L179-L207 HydrophobicContact CB-CD2 4.37Å; L179-L207 HydrophobicContact CD1-CD1 4.39Å; L179-L207 HydrophobicContact CD1-CD2 3.84Å
180	P	95.4	Very high	97	Very high	32 Å²	32	43 Å²	43	21%	0.208	23%	0.226	C	C	.	.			trans	-57.6	145	169.9	-19.3	30.2	0	0	0	111	I155 E157 T182 V183	I155-P180 WeakPolarHBondContact O-CG 3.14Å; E157-P180 HydrophobicContact CB-CB 4.04Å; E157-P180 HydrophobicContact CB-CG 4.38Å; E157-P180 HydrophobicContact CG-CB 4.04Å; P180-T182 PolarHBondContact O-N 3.3Å; P180-T182 VanDerWaalsContact O-N 3.13Å; P180-V183 HydrophobicContact CB-CB 4.13Å; P180-V183 HydrophobicContact CG-CB 4.27Å; P180-V183 VanDerWaalsContact O-CG1 3.26Å; P180-V183 WeakPolarHBondContact O-CG1 3.18Å; P180-V183 PolarHBondContact O-N 2.8Å
181	E	92.9	Very high	97	Very high	104 Å²	104	47.9 Å²	47.9	49%	0.486	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.3	-168.7	-37.9	-156.9	148.4	0	0	113.3	Q204 A206 L207	E181-Q204 VanDerWaalsContact OE1-CD 3.23Å; E181-Q204 PolarHBondContact OE1-NE2 2.94Å; E181-Q204 PolarHBondContact OE1-OE1 3.36Å; E181-A206 HydrophobicContact CB-CB 4.42Å; E181-A206 CarbonylContact O-C 3.1Å; E181-L207 WeakPolarHBondContact O-CA 3.17Å; E181-L207 PolarHBondContact O-N 2.98Å
182	T	94.7	Very high	97	Very high	57 Å²	57	51.3 Å²	51.3	35%	0.35	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	7.5	-172.6	54	0	0	0	0	112.9	E157 P180 F184 H185	E157-T182 WeakPolarHBondContact CG-OG1 3.34Å; E157-T182 PolarHBondContact OE1-OG1 2.93Å; P180-T182 PolarHBondContact O-N 3.3Å; P180-T182 VanDerWaalsContact O-N 3.13Å; T182-F184 PolarHBondContact O-N 3.31Å; T182-H185 WeakPolarHBondContact O-CB 3.36Å; T182-H185 PolarHBondContact O-N 2.82Å
183	V	97.1	Very high	97	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.03	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-26.5	-172.2	69.1	0	0	0	0	113.8	I155 F160 L179 P180 L207	I155-V183 HydrophobicContact CB-CG2 4.44Å; I155-V183 HydrophobicContact CG2-CG2 3.45Å; I155-V183 VanDerWaalsContact CG2-CG2 3.45Å; F160-V183 HydrophobicContact CD2-CG2 3.96Å; F160-V183 HydrophobicContact CE2-CG2 4.1Å; L179-V183 HydrophobicContact CB-CG1 4.35Å; P180-V183 HydrophobicContact CB-CB 4.13Å; P180-V183 HydrophobicContact CG-CB 4.27Å; P180-V183 VanDerWaalsContact O-CG1 3.26Å; P180-V183 WeakPolarHBondContact O-CG1 3.18Å; P180-V183 PolarHBondContact O-N 2.8Å; V183-L207 HydrophobicContact CG1-CD1 3.72Å
184	F	97.4	Very high	97	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	12.1	178.4	-52.5	-47	0	0	0	113.7	F160 L169 L171 L179 T182 D186 L187 L193 L195 L207 F208 L211	F160-F184 HydrophobicContact CD2-CD1 4.22Å; F160-F184 HydrophobicContact CD2-CE1 4.29Å; F160-F184 HydrophobicContact CE2-CD1 4.41Å; F160-F184 HydrophobicContact CE2-CE1 4.03Å; L169-F184 HydrophobicContact CD2-CD1 4.14Å; L169-F184 HydrophobicContact CD2-CE1 3.69Å; L171-F184 HydrophobicContact CD1-CE1 4.21Å; L171-F184 HydrophobicContact CD1-CZ 4.3Å; L179-F184 HydrophobicContact CD1-CE2 4.09Å; L179-F184 HydrophobicContact CD1-CZ 4.27Å; L179-F184 HydrophobicContact CD2-CZ 4.49Å; T182-F184 PolarHBondContact O-N 3.31Å; F184-D186 VanDerWaalsContact C-N 3.32Å; F184-D186 PolarHBondContact O-N 3.4Å; F184-L187 HydrophobicContact CB-CD1 4.03Å; F184-L187 HydrophobicContact CB-CG 4.44Å; F184-L187 HydrophobicContact CD1-CD1 3.65Å; F184-L187 HydrophobicContact CG-CD1 4.25Å; F184-L187 WeakPolarHBondContact O-CB 3.18Å; F184-L187 PolarHBondContact O-N 3.27Å; F184-L187 VanDerWaalsContact O-N 3.14Å; F184-L193 HydrophobicContact CD2-CD2 4.14Å; F184-L193 HydrophobicContact CE1-CD1 4.45Å; F184-L193 HydrophobicContact CE2-CD2 3.87Å; F184-L193 HydrophobicContact CZ-CD1 4.25Å; F184-L193 HydrophobicContact CZ-CD2 4.21Å; F184-L195 HydrophobicContact CE2-CD1 4.35Å; F184-L195 HydrophobicContact CZ-CD1 4.48Å; F184-L195 HydrophobicContact CZ-CD2 4.35Å; F184-L207 HydrophobicContact CD2-CD1 3.66Å; F184-L207 HydrophobicContact CD2-CG 4.01Å; F184-L207 HydrophobicContact CE2-CD1 3.79Å; F184-L207 HydrophobicContact CE2-CG 4.15Å; F184-F208 HydrophobicContact CE2-CE1 4.48Å; F184-L211 HydrophobicContact CB-CD1 4.29Å; F184-L211 HydrophobicContact CB-CD2 4.12Å
185	H	96.2	Very high	97	Very high	97 Å²	97	45.5 Å²	45.5	45%	0.449	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-39.8	-170.6	-173.2	89.7	0	0	0	113.6	T182 L187 N210	T182-H185 WeakPolarHBondContact O-CB 3.36Å; T182-H185 PolarHBondContact O-N 2.82Å; H185-L187 VanDerWaalsContact C-N 3.34Å; H185-N210 PolarHBondContact CD2-ND2 3.23Å; H185-N210 PolarHBondContact CE1-ND2 2.95Å; H185-N210 PolarHBondContact ND1-ND2 3.17Å; H185-N210 VanDerWaalsContact ND1-ND2 3.13Å; H185-N210 PolarHBondContact NE2-ND2 3.48Å; H185-N210 WeakPolarHBondContact O-CB 3.3Å; H185-N210 PolarHBondContact O-ND2 3.46Å
186	D	96.4	Very high	97	Very high	59 Å²	59	44.2 Å²	44.2	32%	0.316	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-3.8	-176.6	-69.9	-9.8	0	0	0	113.4	A161 G162 S164 F184 Q188	A161-D186 WeakPolarHBondContact CA-OD2 3.39Å; G162-D186 PolarHBondContact N-OD2 3.41Å; S164-D186 WeakPolarHBondContact CA-O 3.04Å; F184-D186 VanDerWaalsContact C-N 3.32Å; F184-D186 PolarHBondContact O-N 3.4Å; D186-Q188 PolarHBondContact O-N 2.68Å
187	L	97.4	Very high	97.1	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.			trans	-85.4	50.3	-173.8	-54.7	-172.8	0	0	0	112.9	F160 L163 M166 L169 F184 H185 G189 L190 L211	F160-L187 HydrophobicContact CB-CD1 4.35Å; F160-L187 HydrophobicContact CB-CD2 3.94Å; F160-L187 HydrophobicContact CB-CG 4.38Å; L163-L187 HydrophobicContact CB-CD2 3.82Å; L163-L187 WeakPolarHBondContact O-CD2 3.4Å; M166-L187 HydrophobicContact CB-CD2 4.42Å; M166-L187 HydrophobicContact CE-CD1 3.34Å; M166-L187 HydrophobicContact CE-CD2 3.46Å; M166-L187 VanDerWaalsContact CE-CD2 3.46Å; M166-L187 HydrophobicContact CE-CG 3.97Å; L169-L187 HydrophobicContact CD2-CD1 4.07Å; F184-L187 HydrophobicContact CB-CD1 4.03Å; F184-L187 HydrophobicContact CB-CG 4.44Å; F184-L187 HydrophobicContact CD1-CD1 3.65Å; F184-L187 HydrophobicContact CG-CD1 4.25Å; F184-L187 WeakPolarHBondContact O-CB 3.18Å; F184-L187 PolarHBondContact O-N 3.27Å; F184-L187 VanDerWaalsContact O-N 3.14Å; H185-L187 VanDerWaalsContact C-N 3.34Å; L187-G189 PolarHBondContact O-N 2.88Å; L187-L190 HydrophobicContact CB-CB 4.08Å; L187-L190 HydrophobicContact CB-CD2 4.38Å; L187-L190 HydrophobicContact CD1-CD2 4.13Å; L187-L190 WeakPolarHBondContact O-CB 3.19Å; L187-L190 PolarHBondContact O-N 3.47Å; L187-L190 VanDerWaalsContact O-N 3.08Å; L187-L211 HydrophobicContact CB-CD2 3.92Å; L187-L211 VanDerWaalsContact O-CD2 3.3Å; L187-L211 WeakPolarHBondContact O-CD2 3.44Å
188	Q	95.9	Very high	97.2	Very high	116 Å²	116	41.7 Å²	41.7	54%	0.542	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.1	-172.6	-61.4	175.9	12.1	0	0	113.1	D186 L190 E213	D186-Q188 PolarHBondContact O-N 2.68Å; Q188-L190 VanDerWaalsContact C-N 3.31Å; Q188-E213 WeakPolarHBondContact O-CG 3.18Å
189	G	97.2	Very high	97.4	Very high	22 Å²	22	42.7 Å²	42.7	23%	0.227	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.8	176.2	0	0	0	0	0	115.2	S164 M166 L187 R191	S164-G189 PolarHBondContact O-N 2.93Å; M166-G189 CarbonylContact O-C 3.41Å; L187-G189 PolarHBondContact O-N 2.88Å; G189-R191 PolarHBondContact O-N 3.3Å
190	L	98.6	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.			trans	-67.1	126.3	-170.9	-162.2	70.3	0	0	0	111.3	M166 L169 L187 Q188 L193 L211 E213 L214	M166-L190 HydrophobicContact CE-CD1 4.12Å; M166-L190 HydrophobicContact CG-CD1 4.18Å; M166-L190 WeakPolarHBondContact O-CA 3.45Å; M166-L190 PolarHBondContact O-N 2.83Å; L169-L190 HydrophobicContact CB-CD1 3.9Å; L187-L190 HydrophobicContact CB-CB 4.08Å; L187-L190 HydrophobicContact CB-CD2 4.38Å; L187-L190 HydrophobicContact CD1-CD2 4.13Å; L187-L190 WeakPolarHBondContact O-CB 3.19Å; L187-L190 PolarHBondContact O-N 3.47Å; L187-L190 VanDerWaalsContact O-N 3.08Å; Q188-L190 VanDerWaalsContact C-N 3.31Å; L190-L193 HydrophobicContact CD2-CB 3.94Å; L190-L193 HydrophobicContact CD2-CD1 4.32Å; L190-L193 HydrophobicContact CD2-CD2 4.28Å; L190-L193 HydrophobicContact CD2-CG 4.41Å; L190-L211 HydrophobicContact CB-CD2 4.23Å; L190-L211 HydrophobicContact CD2-CD1 4.26Å; L190-L211 HydrophobicContact CD2-CD2 4.22Å; L190-E213 CarbonylContact O-C 3.39Å; L190-L214 HydrophobicContact CB-CD1 4.39Å; L190-L214 HydrophobicContact CD2-CD1 4.08Å; L190-L214 HydrophobicContact CG-CD1 4Å; L190-L214 VanDerWaalsContact O-CA 3.22Å; L190-L214 WeakPolarHBondContact O-CA 3.38Å; L190-L214 PolarHBondContact O-N 3.32Å; L190-L214 VanDerWaalsContact O-N 3.08Å
191	R	98.8	Very high	97.5	Very high	122 Å²	122	41.9 Å²	41.9	46%	0.46	21%	0.208	S	C	.	.			trans	-108.9	-32.7	-179.9	-64.1	177.8	-176.9	176.6	2	111.8	W167 G189 K215 E216	W167-R191 HydrophobicContact CB-CG 4.34Å; W167-R191 WeakPolarHBondContact O-CA 3.32Å; W167-R191 PolarHBondContact O-N 3Å; G189-R191 PolarHBondContact O-N 3.3Å; R191-K215 WeakPolarHBondContact O-CA 3.3Å; R191-K215 PolarHBondContact O-N 2.72Å; R191-E216 PolarHBondContact O-N 2.83Å
192	E	98.9	Very high	97.5	Very high	72 Å²	72	45 Å²	45	34%	0.336	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	124.5	-176.9	-60.7	-175.4	-166	0	0	110.4	W167 F168 L169 E216	W167-E192 PolarHBondContact O-N 3.39Å; F168-E192 HydrophobicContact CD2-CB 3.81Å; F168-E192 WeakPolarHBondContact CD2-OE2 3.13Å; F168-E192 HydrophobicContact CE2-CB 4.45Å; L169-E192 PolarHBondContact N-O 2.95Å; E192-E216 HydrophobicContact CG-CB 4.16Å
193	L	98.9	Very high	97.4	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	115.8	177.3	178.5	55.8	0	0	0	109.9	L169 F184 L190 L195 F208 L211 L214 E216 L217 D218	L169-L193 HydrophobicContact CB-CD1 4.07Å; L169-L193 HydrophobicContact CD2-CD1 3.89Å; L169-L193 HydrophobicContact CG-CD1 4.03Å; L169-L193 WeakPolarHBondContact O-CA 3.16Å; F184-L193 HydrophobicContact CD2-CD2 4.14Å; F184-L193 HydrophobicContact CE1-CD1 4.45Å; F184-L193 HydrophobicContact CE2-CD2 3.87Å; F184-L193 HydrophobicContact CZ-CD1 4.25Å; F184-L193 HydrophobicContact CZ-CD2 4.21Å; L190-L193 HydrophobicContact CD2-CB 3.94Å; L190-L193 HydrophobicContact CD2-CD1 4.32Å; L190-L193 HydrophobicContact CD2-CD2 4.28Å; L190-L193 HydrophobicContact CD2-CG 4.41Å; L193-L195 HydrophobicContact CD1-CG 4.17Å; L193-L195 HydrophobicContact CD2-CD1 4.05Å; L193-L195 HydrophobicContact CG-CD1 4.15Å; L193-L195 HydrophobicContact CG-CG 4.15Å; L193-F208 HydrophobicContact CD2-CE1 4.08Å; L193-L211 HydrophobicContact CD2-CD1 4.17Å; L193-L214 HydrophobicContact CB-CD1 3.89Å; L193-E216 PolarHBondContact N-O 3.11Å; L193-L217 HydrophobicContact CB-CD1 4.04Å; L193-L217 HydrophobicContact CD2-CD1 3.95Å; L193-L217 HydrophobicContact CG-CD1 3.95Å; L193-L217 WeakPolarHBondContact O-CA 3.29Å; L193-D218 PolarHBondContact O-N 2.87Å
194	N	98.9	Very high	97.1	Very high	39 Å²	39	46.6 Å²	46.6	21%	0.209	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.5	175.2	-169.6	-31.3	0	0	0	110.9	L169 N170 L171 G172 A196	L169-N194 PolarHBondContact O-N 3Å; N170-N194 HydrophobicContact CB-CB 4.29Å; L171-N194 CarbonylContact C-O 3.55Å; L171-N194 PolarHBondContact N-O 2.83Å; G172-N194 PolarHBondContact N-O 3.37Å; N194-A196 VanDerWaalsContact OD1-CB 3.24Å; N194-A196 WeakPolarHBondContact OD1-CB 3.29Å; N194-A196 PolarHBondContact OD1-N 2.75Å
195	L	98.8	Very high	96.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.24	C	C	.	.			trans	-121.6	15.5	175.9	-69.5	168	0	0	0	111.6	L171 L176 L179 F184 L193 N198 L200 D218 L219 N222	L171-L195 HydrophobicContact CB-CD2 3.95Å; L171-L195 HydrophobicContact CD1-CD2 3.99Å; L176-L195 HydrophobicContact CD1-CD2 4.43Å; L179-L195 HydrophobicContact CD1-CD1 4Å; L179-L195 HydrophobicContact CD1-CD2 4.2Å; F184-L195 HydrophobicContact CE2-CD1 4.35Å; F184-L195 HydrophobicContact CZ-CD1 4.48Å; F184-L195 HydrophobicContact CZ-CD2 4.35Å; L193-L195 HydrophobicContact CD1-CG 4.17Å; L193-L195 HydrophobicContact CD2-CD1 4.05Å; L193-L195 HydrophobicContact CG-CD1 4.15Å; L193-L195 HydrophobicContact CG-CG 4.15Å; L195-N198 PolarHBondContact O-ND2 3.35Å; L195-L200 HydrophobicContact CB-CD1 4.26Å; L195-L200 HydrophobicContact CD1-CD1 4.36Å; L195-D218 CarbonylContact C-O 3.16Å; L195-D218 WeakPolarHBondContact CA-O 3.39Å; L195-D218 PolarHBondContact N-O 2.79Å; L195-L219 HydrophobicContact CB-CD2 3.95Å; L195-L219 HydrophobicContact CD1-CD2 3.91Å; L195-N222 PolarHBondContact O-ND2 3.01Å
196	A	98.9	Very high	96.5	Very high	4 Å²	4	46.7 Å²	46.7	3%	0.033	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	155.4	-175.8	0	0	0	0	0	112.4	G172 W173 N194 N198 D218 T220	G172-A196 CarbonylContact C-O 3.52Å; G172-A196 WeakPolarHBondContact CA-O 3.45Å; W173-A196 PolarHBondContact N-O 3.47Å; N194-A196 VanDerWaalsContact OD1-CB 3.24Å; N194-A196 WeakPolarHBondContact OD1-CB 3.29Å; N194-A196 PolarHBondContact OD1-N 2.75Å; A196-N198 VanDerWaalsContact C-N 3.28Å; A196-N198 PolarHBondContact O-N 3.35Å; A196-N198 PolarHBondContact O-ND2 2.91Å; A196-D218 PolarHBondContact N-O 3.39Å; A196-T220 CarbonylContact C-O 3.42Å; A196-T220 WeakPolarHBondContact CA-O 3.38Å; A196-T220 WeakPolarHBondContact CB-O 3.35Å
197	G	98.8	Very high	96.4	Very high	15 Å²	15	44.3 Å²	44.3	16%	0.155	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	32.3	173.9	0	0	0	0	0	114.3	W173 T220 G221	W173-G197 WeakPolarHBondContact CA-O 3.45Å; G197-T220 PolarHBondContact N-O 2.66Å; G197-G221 WeakPolarHBondContact CA-O 3.43Å
198	N	98.8	Very high	96.3	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.021	22%	0.22	C	C	.	.	S	Bend	trans	-106.7	-166.6	173.5	-82.6	-72.4	0	0	0	110.5	L171 N174 S175 L176 L195 A196 L200 G221 N222	L171-N198 PolarHBondContact O-ND2 2.94Å; N174-N198 WeakPolarHBondContact CA-OD1 3.45Å; N174-N198 WeakPolarHBondContact CB-OD1 3.35Å; N174-N198 PolarHBondContact N-OD1 3.42Å; S175-N198 PolarHBondContact N-OD1 3.33Å; L176-N198 HydrophobicContact CB-CB 4.17Å; L176-N198 VanDerWaalsContact CB-OD1 3.3Å; L176-N198 WeakPolarHBondContact CB-OD1 3.21Å; L176-N198 WeakPolarHBondContact CG-OD1 3.17Å; L176-N198 PolarHBondContact N-OD1 3.41Å; L195-N198 PolarHBondContact O-ND2 3.35Å; A196-N198 VanDerWaalsContact C-N 3.28Å; A196-N198 PolarHBondContact O-N 3.35Å; A196-N198 PolarHBondContact O-ND2 2.91Å; N198-L200 HydrophobicContact CB-CG 4.21Å; N198-G221 VanDerWaalsContact O-O 3.12Å; N198-N222 WeakPolarHBondContact CA-OD1 3.39Å; N198-N222 WeakPolarHBondContact CB-OD1 3.31Å; N198-N222 PolarHBondContact O-OD1 3.1Å
199	R	98.4	Very high	96.1	Very high	127 Å²	127	44.1 Å²	44.1	48%	0.479	22%	0.219	S	C	.	.			trans	-119.1	28.6	-177.5	-57.3	-175.5	-172.9	-166.4	2	111.8	L176 T177 A201 N222 Y223	L176-R199 CarbonylContact O-C 3.14Å; L176-R199 VanDerWaalsContact O-C 3.22Å; L176-R199 VanDerWaalsContact O-CA 3.25Å; L176-R199 WeakPolarHBondContact O-CA 3.36Å; L176-R199 WeakPolarHBondContact O-CB 3.36Å; L176-R199 PolarHBondContact O-N 3.46Å; T177-R199 HydrophobicContact CG2-CB 3.86Å; R199-A201 PolarHBondContact O-N 2.82Å; R199-N222 PolarHBondContact N-OD1 3.21Å; R199-Y223 HydrophobicContact CB-CD2 3.77Å; R199-Y223 HydrophobicContact CB-CE2 3.53Å; R199-Y223 HydrophobicContact CG-CD2 4.34Å; R199-Y223 HydrophobicContact CG-CE2 3.61Å
200	L	98.1	Very high	96	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	22%	0.221	C	C	.	.			trans	-70	121.7	-176.1	-57.8	174.9	0	0	0	110	L176 L179 L195 N198 L219 N222 Y223 I224	L176-L200 HydrophobicContact CB-CD2 4.14Å; L176-L200 PolarHBondContact O-N 2.9Å; L179-L200 HydrophobicContact CD1-CD1 3.96Å; L179-L200 HydrophobicContact CD1-CD2 4.15Å; L179-L200 HydrophobicContact CG-CD2 3.92Å; L195-L200 HydrophobicContact CB-CD1 4.26Å; L195-L200 HydrophobicContact CD1-CD1 4.36Å; N198-L200 HydrophobicContact CB-CG 4.21Å; L200-L219 HydrophobicContact CD1-CD2 4.31Å; L200-N222 HydrophobicContact CB-CB 4.3Å; L200-N222 VanDerWaalsContact CB-OD1 3.29Å; L200-N222 WeakPolarHBondContact CB-OD1 3.42Å; L200-N222 WeakPolarHBondContact CG-OD1 3.23Å; L200-N222 PolarHBondContact N-OD1 3.31Å; L200-Y223 CarbonylContact O-C 3.59Å; L200-Y223 VanDerWaalsContact O-C 3.23Å; L200-Y223 WeakPolarHBondContact O-CA 3.47Å; L200-Y223 PolarHBondContact O-N 2.97Å; L200-I224 PolarHBondContact O-N 2.92Å
201	A	96.6	Very high	95.9	Very high	28 Å²	28	45.5 Å²	45.5	23%	0.231	22%	0.221	C	C	.	.			trans	-100.6	-23.4	178.6	0	0	0	0	0	113.4	R199	R199-A201 PolarHBondContact O-N 2.82Å
202	Y	92	Very high	95.7	Very high	169 Å²	169	41.2 Å²	41.2	66%	0.663	22%	0.215	S	C	*	.			trans	-139.8	139.8	-174.2	-56.4	-75.8	0	0	0	110.8
203	L	93.3	Very high	95.7	Very high	18 Å²	18	41.1 Å²	41.1	9%	0.094	21%	0.214	C	C	.	.			trans	-116.3	128.7	170.8	-59	175.3	0	0	0	108.2	L207 F208 L219 I224 V231 F232	L203-L207 HydrophobicContact CD2-CD2 4.23Å; L203-F208 HydrophobicContact CD1-CE2 4.29Å; L203-F208 HydrophobicContact CD2-CE2 4.4Å; L203-F208 HydrophobicContact CD2-CZ 4.29Å; L203-L219 HydrophobicContact CD1-CD1 3.67Å; L203-L219 HydrophobicContact CD1-CD2 4.41Å; L203-L219 HydrophobicContact CD2-CD2 4.19Å; L203-I224 HydrophobicContact CD1-CD1 3.8Å; L203-I224 HydrophobicContact CG-CD1 4.2Å; L203-V231 HydrophobicContact CB-CG1 3.83Å; L203-V231 HydrophobicContact CD1-CG1 4.3Å; L203-F232 HydrophobicContact CD1-CZ 4.31Å
204	Q	90.4	Very high	95.7	Very high	78 Å²	78	40.9 Å²	40.9	36%	0.364	21%	0.213	S	C	.	.			trans	-95.5	146.1	176.4	-65.6	-178.6	-23.7	0	0	110.3	E181 A206 L207	E181-Q204 VanDerWaalsContact OE1-CD 3.23Å; E181-Q204 PolarHBondContact OE1-NE2 2.94Å; E181-Q204 PolarHBondContact OE1-OE1 3.36Å; Q204-A206 VanDerWaalsContact C-N 3.28Å; Q204-A206 PolarHBondContact O-N 2.89Å; Q204-L207 VanDerWaalsContact O-CB 3.29Å; Q204-L207 WeakPolarHBondContact O-CB 3.39Å; Q204-L207 PolarHBondContact O-N 2.73Å
205	P	87.9	Confident	95.7	Very high	64 Å²	64	42.9 Å²	42.9	42%	0.416	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-58	-34.3	178.2	-27.1	35.9	0	0	0	115.1	L207 V231	P205-L207 PolarHBondContact O-N 3.04Å; P205-V231 HydrophobicContact CG-CG2 4.41Å
206	A	92.6	Very high	95.7	Very high	37 Å²	37	45.1 Å²	45.1	31%	0.306	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-65	-27.8	-179.1	0	0	0	0	0	113.2	E181 Q204 F208 Q209	E181-A206 HydrophobicContact CB-CB 4.42Å; E181-A206 CarbonylContact O-C 3.1Å; Q204-A206 VanDerWaalsContact C-N 3.28Å; Q204-A206 PolarHBondContact O-N 2.89Å; A206-F208 PolarHBondContact O-N 3.48Å; A206-F208 VanDerWaalsContact O-N 3.12Å; A206-Q209 WeakPolarHBondContact O-CB 3.21Å; A206-Q209 PolarHBondContact O-N 2.97Å
207	L	95.1	Very high	95.7	Very high	8 Å²	8	45 Å²	45	4%	0.042	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-57	-34.1	-173.1	-175.3	63.2	0	0	0	113.6	L179 E181 V183 F184 L203 Q204 P205	L179-L207 HydrophobicContact CB-CD1 4.01Å; L179-L207 HydrophobicContact CB-CD2 4.37Å; L179-L207 HydrophobicContact CD1-CD1 4.39Å; L179-L207 HydrophobicContact CD1-CD2 3.84Å; E181-L207 WeakPolarHBondContact O-CA 3.17Å; E181-L207 PolarHBondContact O-N 2.98Å; V183-L207 HydrophobicContact CG1-CD1 3.72Å; F184-L207 HydrophobicContact CD2-CD1 3.66Å; F184-L207 HydrophobicContact CD2-CG 4.01Å; F184-L207 HydrophobicContact CE2-CD1 3.79Å; F184-L207 HydrophobicContact CE2-CG 4.15Å; L203-L207 HydrophobicContact CD2-CD2 4.23Å; Q204-L207 VanDerWaalsContact O-CB 3.29Å; Q204-L207 WeakPolarHBondContact O-CB 3.39Å; Q204-L207 PolarHBondContact O-N 2.73Å; P205-L207 PolarHBondContact O-N 3.04Å
208	F	95.1	Very high	95.7	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-113.4	9.8	-174.8	-54.6	-53.7	0	0	0	113.2	F184 L193 L203 A206 N210 L211 L217 V231 F232 L235	F184-F208 HydrophobicContact CE2-CE1 4.48Å; L193-F208 HydrophobicContact CD2-CE1 4.08Å; L203-F208 HydrophobicContact CD1-CE2 4.29Å; L203-F208 HydrophobicContact CD2-CE2 4.4Å; L203-F208 HydrophobicContact CD2-CZ 4.29Å; A206-F208 PolarHBondContact O-N 3.48Å; A206-F208 VanDerWaalsContact O-N 3.12Å; F208-N210 VanDerWaalsContact C-N 3.27Å; F208-N210 PolarHBondContact O-N 2.84Å; F208-L211 HydrophobicContact CB-CD1 4.5Å; F208-L211 HydrophobicContact CD1-CD1 3.81Å; F208-L211 PolarHBondContact O-N 3.39Å; F208-L217 HydrophobicContact CE1-CD1 4.42Å; F208-L217 HydrophobicContact CE1-CD2 4.33Å; F208-L217 HydrophobicContact CE2-CD2 4.36Å; F208-L217 HydrophobicContact CZ-CD2 4.1Å; F208-V231 HydrophobicContact CD2-CG1 3.99Å; F208-V231 HydrophobicContact CE2-CG1 3.98Å; F208-F232 HydrophobicContact CD2-CD1 4.36Å; F208-F232 HydrophobicContact CD2-CE1 4.42Å; F208-F232 HydrophobicContact CE2-CE1 4.13Å; F208-L235 HydrophobicContact CB-CD1 4.32Å; F208-L235 HydrophobicContact CB-CD2 4.07Å; F208-L235 HydrophobicContact CB-CG 4.35Å
209	Q	92.7	Very high	95.7	Very high	111 Å²	111	45.5 Å²	45.5	52%	0.519	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-31.3	-167.9	-175.6	170.3	-8.6	0	0	113.9	A206 K234	A206-Q209 WeakPolarHBondContact O-CB 3.21Å; A206-Q209 PolarHBondContact O-N 2.97Å; Q209-K234 HydrophobicContact CG-CG 4.32Å; Q209-K234 WeakPolarHBondContact O-CB 3.06Å
210	N	94.8	Very high	95.7	Very high	50 Å²	50	40.7 Å²	40.7	27%	0.267	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	2.4	-177.3	-75.8	2.1	0	0	0	114.4	H185 F208 G212	H185-N210 PolarHBondContact CD2-ND2 3.23Å; H185-N210 PolarHBondContact CE1-ND2 2.95Å; H185-N210 PolarHBondContact ND1-ND2 3.17Å; H185-N210 VanDerWaalsContact ND1-ND2 3.13Å; H185-N210 PolarHBondContact NE2-ND2 3.48Å; H185-N210 WeakPolarHBondContact O-CB 3.3Å; H185-N210 PolarHBondContact O-ND2 3.46Å; F208-N210 VanDerWaalsContact C-N 3.27Å; F208-N210 PolarHBondContact O-N 2.84Å; N210-G212 PolarHBondContact O-N 3.41Å
211	L	96.4	Very high	95.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.223	C	C	.	.			trans	-86.8	55.2	-175.9	-55.2	-173.6	0	0	0	111.8	F184 L187 L190 L193 F208 E213 L214 L235	F184-L211 HydrophobicContact CB-CD1 4.29Å; F184-L211 HydrophobicContact CB-CD2 4.12Å; L187-L211 HydrophobicContact CB-CD2 3.92Å; L187-L211 VanDerWaalsContact O-CD2 3.3Å; L187-L211 WeakPolarHBondContact O-CD2 3.44Å; L190-L211 HydrophobicContact CB-CD2 4.23Å; L190-L211 HydrophobicContact CD2-CD1 4.26Å; L190-L211 HydrophobicContact CD2-CD2 4.22Å; L193-L211 HydrophobicContact CD2-CD1 4.17Å; F208-L211 HydrophobicContact CB-CD1 4.5Å; F208-L211 HydrophobicContact CD1-CD1 3.81Å; F208-L211 PolarHBondContact O-N 3.39Å; L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 PolarHBondContact O-N 3.06Å; L211-L214 HydrophobicContact CB-CB 4.1Å; L211-L214 HydrophobicContact CB-CD2 4.41Å; L211-L214 HydrophobicContact CD1-CD2 4.17Å; L211-L214 WeakPolarHBondContact O-CB 3.33Å; L211-L214 PolarHBondContact O-N 2.89Å; L211-L235 HydrophobicContact CB-CD2 3.85Å; L211-L235 VanDerWaalsContact O-CD2 3.31Å; L211-L235 WeakPolarHBondContact O-CD2 3.03Å
212	G	95.2	Very high	95.8	Very high	31 Å²	31	40.3 Å²	40.3	32%	0.32	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.1	-174.1	0	0	0	0	0	114.5	N210 K237	N210-G212 PolarHBondContact O-N 3.41Å; G212-K237 WeakPolarHBondContact O-CD 3.46Å
213	E	97.8	Very high	96.1	Very high	70 Å²	70	37.3 Å²	37.3	33%	0.327	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-1.7	179.2	-63.3	-55.2	128.2	0	0	114.1	Q188 L190 L211 K215 K237	Q188-E213 WeakPolarHBondContact O-CG 3.18Å; L190-E213 CarbonylContact O-C 3.39Å; L211-E213 VanDerWaalsContact C-N 3.26Å; L211-E213 PolarHBondContact O-N 3.06Å; E213-K215 PolarHBondContact O-N 2.74Å; E213-K237 IonicContact OE1-NZ 3.58Å; E213-K237 PolarHBondContact OE1-NZ 2.91Å; E213-K237 WeakPolarHBondContact OE2-CD 3.41Å; E213-K237 IonicContact OE2-NZ 2.84Å; E213-K237 PolarHBondContact OE2-NZ 3.34Å
214	L	98.5	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.197	C	C	.	.			trans	-64.9	127	-174	-160.4	71.8	0	0	0	110.5	L190 L193 L211 L217 L235 K237 L238	L190-L214 HydrophobicContact CB-CD1 4.39Å; L190-L214 HydrophobicContact CD2-CD1 4.08Å; L190-L214 HydrophobicContact CG-CD1 4Å; L190-L214 VanDerWaalsContact O-CA 3.22Å; L190-L214 WeakPolarHBondContact O-CA 3.38Å; L190-L214 PolarHBondContact O-N 3.32Å; L190-L214 VanDerWaalsContact O-N 3.08Å; L193-L214 HydrophobicContact CB-CD1 3.89Å; L211-L214 HydrophobicContact CB-CB 4.1Å; L211-L214 HydrophobicContact CB-CD2 4.41Å; L211-L214 HydrophobicContact CD1-CD2 4.17Å; L211-L214 WeakPolarHBondContact O-CB 3.33Å; L211-L214 PolarHBondContact O-N 2.89Å; L214-L217 HydrophobicContact CD2-CB 4.06Å; L214-L235 HydrophobicContact CB-CD2 4.16Å; L214-L235 HydrophobicContact CD2-CD1 4.27Å; L214-L235 HydrophobicContact CD2-CD2 4.03Å; L214-K237 CarbonylContact O-C 3.43Å; L214-L238 HydrophobicContact CB-CD1 4.2Å; L214-L238 HydrophobicContact CD2-CD1 3.89Å; L214-L238 HydrophobicContact CG-CD1 3.83Å; L214-L238 WeakPolarHBondContact O-CA 3.35Å; L214-L238 PolarHBondContact O-N 2.79Å
215	K	98.8	Very high	96.7	Very high	81 Å²	81	38.1 Å²	38.1	35%	0.352	20%	0.202	S	C	.	.			trans	-108.3	-33.1	178.7	-63.9	-176	-177.9	178.8	0	112	R191 E213 Q239 K240	R191-K215 WeakPolarHBondContact O-CA 3.3Å; R191-K215 PolarHBondContact O-N 2.72Å; E213-K215 PolarHBondContact O-N 2.74Å; K215-Q239 WeakPolarHBondContact O-CA 3.38Å; K215-Q239 PolarHBondContact O-N 3.25Å; K215-K240 PolarHBondContact O-N 2.95Å
216	E	98.9	Very high	97.1	Very high	47 Å²	47	38 Å²	38	22%	0.22	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127.9	-176.9	-170.3	151.8	163.4	0	0	111.2	R191 E192 L193 K240 Y242	R191-E216 PolarHBondContact O-N 2.83Å; E192-E216 HydrophobicContact CG-CB 4.16Å; L193-E216 PolarHBondContact N-O 3.11Å; E216-K240 HydrophobicContact CG-CB 4.18Å; E216-K240 WeakPolarHBondContact OE2-CD 3.5Å; E216-K240 WeakPolarHBondContact OE2-CE 3.41Å; E216-K240 IonicContact OE2-NZ 3.59Å; E216-K240 PolarHBondContact OE2-NZ 3.01Å; E216-Y242 HydrophobicContact CG-CE2 3.91Å; E216-Y242 VanDerWaalsContact OE1-CE2 3.27Å; E216-Y242 WeakPolarHBondContact OE1-CE2 3.27Å; E216-Y242 PolarHBondContact OE1-OH 2.96Å
217	L	98.9	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	116.4	175.3	177.6	57.7	0	0	0	109.4	L193 F208 L214 L219 F232 L235 L238 K240 L241 Y242	L193-L217 HydrophobicContact CB-CD1 4.04Å; L193-L217 HydrophobicContact CD2-CD1 3.95Å; L193-L217 HydrophobicContact CG-CD1 3.95Å; L193-L217 WeakPolarHBondContact O-CA 3.29Å; F208-L217 HydrophobicContact CE1-CD1 4.42Å; F208-L217 HydrophobicContact CE1-CD2 4.33Å; F208-L217 HydrophobicContact CE2-CD2 4.36Å; F208-L217 HydrophobicContact CZ-CD2 4.1Å; L214-L217 HydrophobicContact CD2-CB 4.06Å; L217-L219 HydrophobicContact CD1-CD1 4.43Å; L217-L219 HydrophobicContact CD1-CG 4.2Å; L217-L219 HydrophobicContact CD2-CD1 3.88Å; L217-L219 HydrophobicContact CG-CD1 4Å; L217-L219 HydrophobicContact CG-CG 4.13Å; L217-F232 HydrophobicContact CD2-CD1 4.36Å; L217-F232 HydrophobicContact CD2-CE1 3.95Å; L217-L235 HydrophobicContact CD2-CD1 4.2Å; L217-L238 HydrophobicContact CB-CD1 3.97Å; L217-L238 HydrophobicContact CB-CD2 4.37Å; L217-K240 PolarHBondContact N-O 3.35Å; L217-L241 HydrophobicContact CB-CD1 4.11Å; L217-L241 HydrophobicContact CD2-CD1 4Å; L217-L241 HydrophobicContact CG-CD1 4.05Å; L217-Y242 PolarHBondContact O-N 3.35Å
218	D	98.9	Very high	97.2	Very high	30 Å²	30	41.3 Å²	41.3	16%	0.16	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.7	175.8	-168.6	-3.4	0	0	0	111.1	L193 L195 A196 T220 Y242	L193-D218 PolarHBondContact O-N 2.87Å; L195-D218 CarbonylContact C-O 3.16Å; L195-D218 WeakPolarHBondContact CA-O 3.39Å; L195-D218 PolarHBondContact N-O 2.79Å; A196-D218 PolarHBondContact N-O 3.39Å; D218-T220 WeakPolarHBondContact OD1-CB 3.36Å; D218-T220 PolarHBondContact OD1-N 3.32Å; D218-T220 PolarHBondContact OD1-OG1 3.2Å; D218-Y242 HydrophobicContact CB-CD2 4.06Å; D218-Y242 WeakPolarHBondContact OD1-CB 3.17Å
219	L	98.9	Very high	97	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.			trans	-118.8	16.2	176.6	-70.6	160.1	0	0	0	111.3	L195 L200 L203 L217 N222 I224 F232 L241 Y242 L243 N246	L195-L219 HydrophobicContact CB-CD2 3.95Å; L195-L219 HydrophobicContact CD1-CD2 3.91Å; L200-L219 HydrophobicContact CD1-CD2 4.31Å; L203-L219 HydrophobicContact CD1-CD1 3.67Å; L203-L219 HydrophobicContact CD1-CD2 4.41Å; L203-L219 HydrophobicContact CD2-CD2 4.19Å; L217-L219 HydrophobicContact CD1-CD1 4.43Å; L217-L219 HydrophobicContact CD1-CG 4.2Å; L217-L219 HydrophobicContact CD2-CD1 3.88Å; L217-L219 HydrophobicContact CG-CD1 4Å; L217-L219 HydrophobicContact CG-CG 4.13Å; L219-N222 PolarHBondContact O-ND2 3.17Å; L219-I224 HydrophobicContact CB-CD1 4.18Å; L219-I224 HydrophobicContact CD1-CD1 4.44Å; L219-I224 HydrophobicContact CD2-CD1 4.44Å; L219-F232 HydrophobicContact CD1-CE1 4.37Å; L219-F232 HydrophobicContact CD1-CZ 4.45Å; L219-L241 HydrophobicContact CD1-CD1 4.43Å; L219-Y242 WeakPolarHBondContact CA-O 3.5Å; L219-Y242 WeakPolarHBondContact CB-O 3.42Å; L219-Y242 PolarHBondContact N-O 3.24Å; L219-L243 HydrophobicContact CB-CD2 3.97Å; L219-L243 HydrophobicContact CD1-CD2 3.87Å; L219-N246 PolarHBondContact O-ND2 3.39Å
220	T	98.9	Very high	96.8	Very high	27 Å²	27	42.2 Å²	42.2	17%	0.166	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	143.1	-177.7	-60.2	0	0	0	0	111.7	A196 G197 D218 N222 Y242 A244 Q245	A196-T220 CarbonylContact C-O 3.42Å; A196-T220 WeakPolarHBondContact CA-O 3.38Å; A196-T220 WeakPolarHBondContact CB-O 3.35Å; G197-T220 PolarHBondContact N-O 2.66Å; D218-T220 WeakPolarHBondContact OD1-CB 3.36Å; D218-T220 PolarHBondContact OD1-N 3.32Å; D218-T220 PolarHBondContact OD1-OG1 3.2Å; T220-N222 PolarHBondContact O-N 3.3Å; T220-N222 PolarHBondContact O-ND2 3.04Å; T220-Y242 WeakPolarHBondContact OG1-CB 2.98Å; T220-A244 CarbonylContact C-O 3.48Å; T220-A244 WeakPolarHBondContact CA-O 3.39Å; T220-A244 HydrophobicContact CG2-CB 3.95Å; T220-A244 WeakPolarHBondContact CG2-O 3.09Å; T220-Q245 HydrophobicContact CG2-CB 4.36Å; T220-Q245 HydrophobicContact CG2-CG 4.49Å
221	G	98.8	Very high	96.8	Very high	21 Å²	21	40.1 Å²	40.1	22%	0.216	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	36.6	172.1	0	0	0	0	0	113.9	G197 N198 A244 Q245	G197-G221 WeakPolarHBondContact CA-O 3.43Å; N198-G221 VanDerWaalsContact O-O 3.12Å; G221-A244 PolarHBondContact N-O 2.85Å; G221-Q245 WeakPolarHBondContact CA-O 3.29Å; G221-Q245 PolarHBondContact N-O 3.31Å
222	N	98.9	Very high	96.7	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.011	21%	0.211	C	C	.	.	S	Bend	trans	-109.9	-170.1	173.5	-83.6	-79.3	0	0	0	110.8	L195 N198 R199 L200 L219 T220 I224 N246	L195-N222 PolarHBondContact O-ND2 3.01Å; N198-N222 WeakPolarHBondContact CA-OD1 3.39Å; N198-N222 WeakPolarHBondContact CB-OD1 3.31Å; N198-N222 PolarHBondContact O-OD1 3.1Å; R199-N222 PolarHBondContact N-OD1 3.21Å; L200-N222 HydrophobicContact CB-CB 4.3Å; L200-N222 VanDerWaalsContact CB-OD1 3.29Å; L200-N222 WeakPolarHBondContact CB-OD1 3.42Å; L200-N222 WeakPolarHBondContact CG-OD1 3.23Å; L200-N222 PolarHBondContact N-OD1 3.31Å; L219-N222 PolarHBondContact O-ND2 3.17Å; T220-N222 PolarHBondContact O-N 3.3Å; T220-N222 PolarHBondContact O-ND2 3.04Å; N222-I224 HydrophobicContact CB-CD1 4.38Å; N222-I224 HydrophobicContact CB-CG1 4.26Å; N222-N246 VanDerWaalsContact CA-OD1 3.29Å; N222-N246 WeakPolarHBondContact CA-OD1 3.2Å; N222-N246 WeakPolarHBondContact CB-OD1 3.39Å; N222-N246 PolarHBondContact N-OD1 3Å; N222-N246 PolarHBondContact O-OD1 3.02Å
223	Y	98.5	Very high	96.5	Very high	105 Å²	105	40.9 Å²	40.9	41%	0.412	21%	0.209	S	C	.	.			trans	-111.4	27.2	-179.3	-57.8	-35.6	0	0	0	113.2	R199 L200 K225 N246	R199-Y223 HydrophobicContact CB-CD2 3.77Å; R199-Y223 HydrophobicContact CB-CE2 3.53Å; R199-Y223 HydrophobicContact CG-CD2 4.34Å; R199-Y223 HydrophobicContact CG-CE2 3.61Å; L200-Y223 CarbonylContact O-C 3.59Å; L200-Y223 VanDerWaalsContact O-C 3.23Å; L200-Y223 WeakPolarHBondContact O-CA 3.47Å; L200-Y223 PolarHBondContact O-N 2.97Å; Y223-K225 PolarHBondContact O-N 3.34Å; Y223-N246 PolarHBondContact N-OD1 3.4Å
224	I	98.3	Very high	96.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	21%	0.214	C	C	.	.			trans	-66.5	126.9	-177.7	-58.1	166.3	0	0	0	109	L200 L203 L219 N222 L243 N246 Q247 I248	L200-I224 PolarHBondContact O-N 2.92Å; L203-I224 HydrophobicContact CD1-CD1 3.8Å; L203-I224 HydrophobicContact CG-CD1 4.2Å; L219-I224 HydrophobicContact CB-CD1 4.18Å; L219-I224 HydrophobicContact CD1-CD1 4.44Å; L219-I224 HydrophobicContact CD2-CD1 4.44Å; N222-I224 HydrophobicContact CB-CD1 4.38Å; N222-I224 HydrophobicContact CB-CG1 4.26Å; I224-L243 HydrophobicContact CD1-CD2 4.21Å; I224-N246 HydrophobicContact CB-CB 4.4Å; I224-N246 WeakPolarHBondContact CB-OD1 3.36Å; I224-N246 WeakPolarHBondContact CG1-OD1 3.5Å; I224-N246 PolarHBondContact N-OD1 2.93Å; I224-N246 VanDerWaalsContact N-OD1 3.08Å; I224-Q247 CarbonylContact O-C 3.53Å; I224-Q247 WeakPolarHBondContact O-CA 3.47Å; I224-Q247 PolarHBondContact O-N 3.3Å; I224-I248 HydrophobicContact CB-CG1 4.31Å; I224-I248 HydrophobicContact CG2-CG1 4.1Å; I224-I248 WeakPolarHBondContact O-CG1 3.42Å; I224-I248 PolarHBondContact O-N 2.77Å
225	K	97.6	Very high	96.2	Very high	110 Å²	110	42.3 Å²	42.3	48%	0.478	21%	0.214	S	C	.	.			trans	-102.5	-29.3	-178.4	-65.9	-177.2	-178.6	179.4	0	114.5	Y223 Q247 I248 G249	Y223-K225 PolarHBondContact O-N 3.34Å; K225-Q247 WeakPolarHBondContact CA-O 3.47Å; K225-Q247 HydrophobicContact CG-CB 4.14Å; K225-I248 WeakPolarHBondContact O-CA 3.41Å; K225-G249 PolarHBondContact O-N 3.23Å
226	V	96.5	Very high	95.9	Very high	63 Å²	63	43.1 Å²	43.1	38%	0.382	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	132.6	-174.8	-177.9	0	0	0	0	109.1	K228 S250 V252	V226-K228 HydrophobicContact CG1-CG 4.42Å; V226-S250 WeakPolarHBondContact CA-O 3.4Å; V226-V252 HydrophobicContact CG1-CG2 4.3Å
227	I	96	Very high	95.9	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	108.2	166.6	-53.1	-178.1	0	0	0	108	F232 L243 I248 S250 V251 V252 A255 F256 M267	I227-F232 HydrophobicContact CG2-CD2 4.37Å; I227-F232 HydrophobicContact CG2-CE2 3.73Å; I227-L243 HydrophobicContact CD1-CD1 3.63Å; I227-I248 HydrophobicContact CD1-CD1 4.17Å; I227-I248 HydrophobicContact CG1-CD1 4.16Å; I227-I248 HydrophobicContact CG1-CG2 4.15Å; I227-S250 PolarHBondContact N-O 3.36Å; I227-V251 HydrophobicContact CB-CG1 4.22Å; I227-V251 HydrophobicContact CB-CG2 4.46Å; I227-V251 HydrophobicContact CD1-CG1 4.49Å; I227-V251 HydrophobicContact CD1-CG2 3.95Å; I227-V251 HydrophobicContact CG1-CG2 4.34Å; I227-V252 WeakPolarHBondContact O-CG2 3.27Å; I227-V252 PolarHBondContact O-N 2.87Å; I227-V252 VanDerWaalsContact O-N 3.07Å; I227-A255 HydrophobicContact CG2-CB 3.85Å; I227-F256 HydrophobicContact CD1-CE1 4.02Å; I227-F256 HydrophobicContact CD1-CZ 3.64Å; I227-F256 HydrophobicContact CG2-CE1 4.4Å; I227-M267 HydrophobicContact CD1-CE 3.62Å; I227-M267 HydrophobicContact CD1-SD 4.4Å
228	K	92.8	Very high	95.9	Very high	109 Å²	109	45.2 Å²	45.2	47%	0.474	23%	0.227	S	C	.	.			trans	-78.9	158.1	179.3	-66.6	-177.4	178.6	179	0	111.2	V226 V231	V226-K228 HydrophobicContact CG1-CG 4.42Å; K228-V231 HydrophobicContact CB-CG2 3.99Å
229	A	90.3	Very high	95.8	Very high	39 Å²	39	46.8 Å²	46.8	32%	0.322	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	151.8	170.3	0	0	0	0	0	111.4	V231 V252	A229-V231 PolarHBondContact O-N 3.41Å; A229-V252 HydrophobicContact CB-CG1 4.2Å
230	N	89.5	Confident	95.8	Very high	92 Å²	92	50.3 Å²	50.3	49%	0.492	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	1	172.9	-53	-31	0	0	0	117.1	F232 V233	N230-F232 VanDerWaalsContact C-N 3.29Å; N230-F232 PolarHBondContact O-N 3.04Å; N230-V233 HydrophobicContact CB-CG1 4.27Å; N230-V233 WeakPolarHBondContact O-CG1 3.33Å
231	V	94.3	Very high	95.8	Very high	7 Å²	7	49 Å²	49	4%	0.042	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-39.4	178.6	176.1	0	0	0	0	111.9	L203 P205 F208 K228 A229	L203-V231 HydrophobicContact CB-CG1 3.83Å; L203-V231 HydrophobicContact CD1-CG1 4.3Å; P205-V231 HydrophobicContact CG-CG2 4.41Å; F208-V231 HydrophobicContact CD2-CG1 3.99Å; F208-V231 HydrophobicContact CE2-CG1 3.98Å; K228-V231 HydrophobicContact CB-CG2 3.99Å; A229-V231 PolarHBondContact O-N 3.41Å
232	F	94.8	Very high	95.9	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	8.6	-175.5	-52.7	-59.1	0	0	0	113.7	L203 F208 L217 L219 I227 N230 K234 L235 L241 F256 M259	L203-F232 HydrophobicContact CD1-CZ 4.31Å; F208-F232 HydrophobicContact CD2-CD1 4.36Å; F208-F232 HydrophobicContact CD2-CE1 4.42Å; F208-F232 HydrophobicContact CE2-CE1 4.13Å; L217-F232 HydrophobicContact CD2-CD1 4.36Å; L217-F232 HydrophobicContact CD2-CE1 3.95Å; L219-F232 HydrophobicContact CD1-CE1 4.37Å; L219-F232 HydrophobicContact CD1-CZ 4.45Å; I227-F232 HydrophobicContact CG2-CD2 4.37Å; I227-F232 HydrophobicContact CG2-CE2 3.73Å; N230-F232 VanDerWaalsContact C-N 3.29Å; N230-F232 PolarHBondContact O-N 3.04Å; F232-K234 PolarHBondContact O-N 3.14Å; F232-K234 VanDerWaalsContact O-N 3.09Å; F232-L235 HydrophobicContact CB-CD1 4.22Å; F232-L235 HydrophobicContact CD1-CD1 3.8Å; F232-L235 HydrophobicContact CG-CD1 4.49Å; F232-L235 WeakPolarHBondContact O-CB 3.33Å; F232-L235 PolarHBondContact O-N 3.44Å; F232-L241 HydrophobicContact CD2-CD2 4.26Å; F232-L241 HydrophobicContact CE1-CD1 4.39Å; F232-L241 HydrophobicContact CE2-CD2 4Å; F232-L241 HydrophobicContact CZ-CD1 4.42Å; F232-L241 HydrophobicContact CZ-CD2 4.14Å; F232-F256 HydrophobicContact CD2-CD1 4.09Å; F232-F256 HydrophobicContact CD2-CE1 4.2Å; F232-F256 HydrophobicContact CE2-CD1 4.47Å; F232-F256 HydrophobicContact CE2-CE1 4.12Å; F232-M259 HydrophobicContact CB-CE 4.18Å; F232-M259 HydrophobicContact CB-CG 4.28Å; F232-M259 HydrophobicContact CB-SD 3.55Å; F232-M259 VanDerWaalsContact CB-SD 3.55Å; F232-M259 HydrophobicContact CD2-SD 4.29Å; F232-M259 HydrophobicContact CG-SD 4.19Å
233	V	91.6	Very high	95.9	Very high	46 Å²	46	49.8 Å²	49.8	28%	0.279	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.7	-166.3	71.3	0	0	0	0	114	N230 H236	N230-V233 HydrophobicContact CB-CG1 4.27Å; N230-V233 WeakPolarHBondContact O-CG1 3.33Å; V233-H236 PolarHBondContact O-CE1 3.08Å; V233-H236 PolarHBondContact O-ND1 2.91Å; V233-H236 PolarHBondContact O-NE2 2.94Å
234	K	93.2	Very high	95.9	Very high	100 Å²	100	44.9 Å²	44.9	44%	0.435	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-8.1	179.7	-64.4	-57.9	-171.5	176.8	0	114.1	Q209 F232 H236	Q209-K234 HydrophobicContact CG-CG 4.32Å; Q209-K234 WeakPolarHBondContact O-CB 3.06Å; F232-K234 PolarHBondContact O-N 3.14Å; F232-K234 VanDerWaalsContact O-N 3.09Å; K234-H236 PolarHBondContact O-CD2 3.41Å; K234-H236 PolarHBondContact O-N 3.26Å
235	L	95.1	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.241	C	C	.	.			trans	-83.9	56.7	-176.3	-56.8	-176.2	0	0	0	111.4	F208 L211 L214 L217 F232 K237 L238	F208-L235 HydrophobicContact CB-CD1 4.32Å; F208-L235 HydrophobicContact CB-CD2 4.07Å; F208-L235 HydrophobicContact CB-CG 4.35Å; L211-L235 HydrophobicContact CB-CD2 3.85Å; L211-L235 VanDerWaalsContact O-CD2 3.31Å; L211-L235 WeakPolarHBondContact O-CD2 3.03Å; L214-L235 HydrophobicContact CB-CD2 4.16Å; L214-L235 HydrophobicContact CD2-CD1 4.27Å; L214-L235 HydrophobicContact CD2-CD2 4.03Å; L217-L235 HydrophobicContact CD2-CD1 4.2Å; F232-L235 HydrophobicContact CB-CD1 4.22Å; F232-L235 HydrophobicContact CD1-CD1 3.8Å; F232-L235 HydrophobicContact CG-CD1 4.49Å; F232-L235 WeakPolarHBondContact O-CB 3.33Å; F232-L235 PolarHBondContact O-N 3.44Å; L235-K237 VanDerWaalsContact C-N 3.26Å; L235-K237 PolarHBondContact O-N 3.37Å; L235-L238 HydrophobicContact CB-CB 3.98Å; L235-L238 HydrophobicContact CB-CD2 4.49Å; L235-L238 HydrophobicContact CD1-CD2 4.13Å; L235-L238 WeakPolarHBondContact O-CB 3.35Å; L235-L238 PolarHBondContact O-N 2.95Å; L235-L238 VanDerWaalsContact O-N 3.16Å
236	H	94.3	Very high	96	Very high	97 Å²	97	45 Å²	45	45%	0.449	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.4	-172.2	-58	-57	0	0	0	113.9	V233 K234 G258 S261	V233-H236 PolarHBondContact O-CE1 3.08Å; V233-H236 PolarHBondContact O-ND1 2.91Å; V233-H236 PolarHBondContact O-NE2 2.94Å; K234-H236 PolarHBondContact O-CD2 3.41Å; K234-H236 PolarHBondContact O-N 3.26Å; H236-G258 PolarHBondContact ND1-O 3.04Å; H236-S261 WeakPolarHBondContact O-CB 3.3Å; H236-S261 PolarHBondContact O-OG 2.88Å
237	K	97.6	Very high	96	Very high	91 Å²	91	44.7 Å²	44.7	40%	0.396	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0	177.8	-70.8	-178.1	172.1	173.3	0	113.6	G212 E213 L214 L235 Q239	G212-K237 WeakPolarHBondContact O-CD 3.46Å; E213-K237 IonicContact OE1-NZ 3.58Å; E213-K237 PolarHBondContact OE1-NZ 2.91Å; E213-K237 WeakPolarHBondContact OE2-CD 3.41Å; E213-K237 IonicContact OE2-NZ 2.84Å; E213-K237 PolarHBondContact OE2-NZ 3.34Å; L214-K237 CarbonylContact O-C 3.43Å; L235-K237 VanDerWaalsContact C-N 3.26Å; L235-K237 PolarHBondContact O-N 3.37Å; K237-Q239 WeakPolarHBondContact O-CG 3.48Å; K237-Q239 PolarHBondContact O-N 3.37Å
238	L	98.3	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.			trans	-65	128.4	-177.4	-159.2	76.2	0	0	0	110.3	L214 L217 L235 L241 M259 S261 L262	L214-L238 HydrophobicContact CB-CD1 4.2Å; L214-L238 HydrophobicContact CD2-CD1 3.89Å; L214-L238 HydrophobicContact CG-CD1 3.83Å; L214-L238 WeakPolarHBondContact O-CA 3.35Å; L214-L238 PolarHBondContact O-N 2.79Å; L217-L238 HydrophobicContact CB-CD1 3.97Å; L217-L238 HydrophobicContact CB-CD2 4.37Å; L235-L238 HydrophobicContact CB-CB 3.98Å; L235-L238 HydrophobicContact CB-CD2 4.49Å; L235-L238 HydrophobicContact CD1-CD2 4.13Å; L235-L238 WeakPolarHBondContact O-CB 3.35Å; L235-L238 PolarHBondContact O-N 2.95Å; L235-L238 VanDerWaalsContact O-N 3.16Å; L238-L241 HydrophobicContact CD2-CB 3.98Å; L238-L241 HydrophobicContact CD2-CD1 4.39Å; L238-M259 HydrophobicContact CB-CE 4.36Å; L238-M259 HydrophobicContact CD2-CE 3.45Å; L238-M259 VanDerWaalsContact CD2-CE 3.45Å; L238-M259 HydrophobicContact CG-CE 4.46Å; L238-S261 CarbonylContact O-C 3.14Å; L238-L262 HydrophobicContact CD2-CD1 4.23Å; L238-L262 HydrophobicContact CG-CD1 4.37Å; L238-L262 WeakPolarHBondContact O-CA 3.39Å; L238-L262 PolarHBondContact O-N 2.8Å; L238-L262 VanDerWaalsContact O-N 3.09Å
239	Q	98.8	Very high	96.4	Very high	63 Å²	63	40.6 Å²	40.6	29%	0.294	21%	0.205	S	C	.	.			trans	-109.2	-34.2	-178	-61.5	-177.1	-14.2	0	0	111.5	K215 K237 R263 W264	K215-Q239 WeakPolarHBondContact O-CA 3.38Å; K215-Q239 PolarHBondContact O-N 3.25Å; K237-Q239 WeakPolarHBondContact O-CG 3.48Å; K237-Q239 PolarHBondContact O-N 3.37Å; Q239-R263 PolarHBondContact O-N 3.22Å; Q239-W264 PolarHBondContact O-N 2.98Å
240	K	98.9	Very high	96.6	Very high	74 Å²	74	41.5 Å²	41.5	32%	0.322	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.6	179.2	-49.8	-169.4	-155.1	141.3	0	111.4	K215 E216 L217 Y242 W264	K215-K240 PolarHBondContact O-N 2.95Å; E216-K240 HydrophobicContact CG-CB 4.18Å; E216-K240 WeakPolarHBondContact OE2-CD 3.5Å; E216-K240 WeakPolarHBondContact OE2-CE 3.41Å; E216-K240 IonicContact OE2-NZ 3.59Å; E216-K240 PolarHBondContact OE2-NZ 3.01Å; L217-K240 PolarHBondContact N-O 3.35Å; K240-Y242 HydrophobicContact CB-CE2 3.86Å; K240-Y242 HydrophobicContact CD-CE2 4.35Å; K240-Y242 WeakPolarHBondContact CD-OH 3.42Å; K240-W264 HydrophobicContact CB-CB 4.21Å; K240-W264 HydrophobicContact CG-CB 4.01Å
241	L	98.9	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	118.3	174.5	178.3	57	0	0	0	109.4	L217 L219 F232 L238 L243 F256 M259 L262 W264 L265 D266	L217-L241 HydrophobicContact CB-CD1 4.11Å; L217-L241 HydrophobicContact CD2-CD1 4Å; L217-L241 HydrophobicContact CG-CD1 4.05Å; L219-L241 HydrophobicContact CD1-CD1 4.43Å; F232-L241 HydrophobicContact CD2-CD2 4.26Å; F232-L241 HydrophobicContact CE1-CD1 4.39Å; F232-L241 HydrophobicContact CE2-CD2 4Å; F232-L241 HydrophobicContact CZ-CD1 4.42Å; F232-L241 HydrophobicContact CZ-CD2 4.14Å; L238-L241 HydrophobicContact CD2-CB 3.98Å; L238-L241 HydrophobicContact CD2-CD1 4.39Å; L241-L243 HydrophobicContact CD1-CD1 4.35Å; L241-L243 HydrophobicContact CD1-CG 4.17Å; L241-L243 HydrophobicContact CD2-CD1 3.81Å; L241-L243 HydrophobicContact CD2-CG 4.5Å; L241-L243 HydrophobicContact CG-CD1 3.88Å; L241-L243 HydrophobicContact CG-CG 4.08Å; L241-F256 HydrophobicContact CD2-CD1 4.42Å; L241-F256 HydrophobicContact CD2-CE1 4.05Å; L241-M259 HydrophobicContact CD2-CE 3.94Å; L241-L262 HydrophobicContact CB-CD1 3.9Å; L241-W264 PolarHBondContact N-O 3.02Å; L241-L265 HydrophobicContact CB-CD1 4.15Å; L241-L265 HydrophobicContact CD2-CD1 4Å; L241-L265 HydrophobicContact CG-CD1 4.07Å; L241-D266 PolarHBondContact O-N 3.06Å
242	Y	98.9	Very high	96.9	Very high	39 Å²	39	40.2 Å²	40.2	15%	0.153	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.4	176.2	-49.5	-90.8	0	0	0	110.4	E216 L217 D218 L219 T220 K240 W264 D266	E216-Y242 HydrophobicContact CG-CE2 3.91Å; E216-Y242 VanDerWaalsContact OE1-CE2 3.27Å; E216-Y242 WeakPolarHBondContact OE1-CE2 3.27Å; E216-Y242 PolarHBondContact OE1-OH 2.96Å; L217-Y242 PolarHBondContact O-N 3.35Å; D218-Y242 HydrophobicContact CB-CD2 4.06Å; D218-Y242 WeakPolarHBondContact OD1-CB 3.17Å; L219-Y242 WeakPolarHBondContact CA-O 3.5Å; L219-Y242 WeakPolarHBondContact CB-O 3.42Å; L219-Y242 PolarHBondContact N-O 3.24Å; T220-Y242 WeakPolarHBondContact OG1-CB 2.98Å; K240-Y242 HydrophobicContact CB-CE2 3.86Å; K240-Y242 HydrophobicContact CD-CE2 4.35Å; K240-Y242 WeakPolarHBondContact CD-OH 3.42Å; Y242-W264 AromaticContact CD1-NE1 3.9Å; Y242-W264 AromaticContact CE1-CD1 3.74Å; Y242-W264 AromaticContact CE1-NE1 3.46Å; Y242-D266 HydrophobicContact CD1-CB 3.94Å
243	L	98.8	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.			trans	-130	17.1	-179.4	-71.6	162.4	0	0	0	110.6	L219 I224 I227 L241 N246 I248 L265 D266 M267 N270	L219-L243 HydrophobicContact CB-CD2 3.97Å; L219-L243 HydrophobicContact CD1-CD2 3.87Å; I224-L243 HydrophobicContact CD1-CD2 4.21Å; I227-L243 HydrophobicContact CD1-CD1 3.63Å; L241-L243 HydrophobicContact CD1-CD1 4.35Å; L241-L243 HydrophobicContact CD1-CG 4.17Å; L241-L243 HydrophobicContact CD2-CD1 3.81Å; L241-L243 HydrophobicContact CD2-CG 4.5Å; L241-L243 HydrophobicContact CG-CD1 3.88Å; L241-L243 HydrophobicContact CG-CG 4.08Å; L243-N246 PolarHBondContact O-ND2 2.87Å; L243-I248 HydrophobicContact CB-CD1 3.99Å; L243-I248 HydrophobicContact CD2-CD1 4.29Å; L243-L265 HydrophobicContact CD1-CD1 4.3Å; L243-D266 CarbonylContact C-O 3.46Å; L243-D266 WeakPolarHBondContact CA-O 3.32Å; L243-D266 WeakPolarHBondContact CB-O 2.98Å; L243-D266 PolarHBondContact N-O 2.69Å; L243-M267 HydrophobicContact CB-CG 4.25Å; L243-M267 HydrophobicContact CD1-CG 4.37Å; L243-N270 PolarHBondContact O-ND2 2.89Å
244	A	98.9	Very high	96.9	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.017	23%	0.233	C	C	.	.			trans	-62.2	156.6	-178	0	0	0	0	0	111.7	T220 G221 N246 D266 R268	T220-A244 CarbonylContact C-O 3.48Å; T220-A244 WeakPolarHBondContact CA-O 3.39Å; T220-A244 HydrophobicContact CG2-CB 3.95Å; T220-A244 WeakPolarHBondContact CG2-O 3.09Å; G221-A244 PolarHBondContact N-O 2.85Å; A244-N246 VanDerWaalsContact C-N 3.27Å; A244-N246 PolarHBondContact O-N 2.81Å; A244-N246 PolarHBondContact O-ND2 2.87Å; A244-N246 VanDerWaalsContact O-ND2 3.11Å; A244-D266 PolarHBondContact N-O 3.02Å; A244-R268 CarbonylContact C-O 3.52Å; A244-R268 WeakPolarHBondContact CA-O 3.49Å; A244-R268 HydrophobicContact CB-CG 3.64Å
245	Q	98.8	Very high	96.9	Very high	106 Å²	106	42.6 Å²	42.6	50%	0.495	21%	0.213	S	C	.	.	S	Bend	trans	55	41	173.7	-55	178.5	28.3	0	0	113.1	T220 G221 R268 N269	T220-Q245 HydrophobicContact CG2-CB 4.36Å; T220-Q245 HydrophobicContact CG2-CG 4.49Å; G221-Q245 WeakPolarHBondContact CA-O 3.29Å; G221-Q245 PolarHBondContact N-O 3.31Å; Q245-R268 PolarHBondContact N-O 3.46Å; Q245-N269 WeakPolarHBondContact CA-O 3.24Å; Q245-N269 HydrophobicContact CB-CB 4.46Å; Q245-N269 HydrophobicContact CG-CB 3.89Å; Q245-N269 PolarHBondContact N-O 3.05Å
246	N	98.8	Very high	96.9	Very high	10 Å²	10	42.6 Å²	42.6	5%	0.053	21%	0.214	C	C	.	.	S	Bend	trans	-107.9	-165.3	173.1	-87.5	-88.3	0	0	0	109.9	L219 N222 Y223 I224 L243 A244 I248 N269 N270	L219-N246 PolarHBondContact O-ND2 3.39Å; N222-N246 VanDerWaalsContact CA-OD1 3.29Å; N222-N246 WeakPolarHBondContact CA-OD1 3.2Å; N222-N246 WeakPolarHBondContact CB-OD1 3.39Å; N222-N246 PolarHBondContact N-OD1 3Å; N222-N246 PolarHBondContact O-OD1 3.02Å; Y223-N246 PolarHBondContact N-OD1 3.4Å; I224-N246 HydrophobicContact CB-CB 4.4Å; I224-N246 WeakPolarHBondContact CB-OD1 3.36Å; I224-N246 WeakPolarHBondContact CG1-OD1 3.5Å; I224-N246 PolarHBondContact N-OD1 2.93Å; I224-N246 VanDerWaalsContact N-OD1 3.08Å; L243-N246 PolarHBondContact O-ND2 2.87Å; A244-N246 VanDerWaalsContact C-N 3.27Å; A244-N246 PolarHBondContact O-N 2.81Å; A244-N246 PolarHBondContact O-ND2 2.87Å; A244-N246 VanDerWaalsContact O-ND2 3.11Å; N246-I248 HydrophobicContact CB-CD1 4.01Å; N246-I248 HydrophobicContact CB-CG1 3.91Å; N246-N269 PolarHBondContact N-O 3.46Å; N246-N270 VanDerWaalsContact CA-OD1 3.27Å; N246-N270 WeakPolarHBondContact CA-OD1 3.45Å; N246-N270 WeakPolarHBondContact CB-OD1 3.16Å; N246-N270 PolarHBondContact N-OD1 3.44Å; N246-N270 PolarHBondContact O-OD1 3.36Å
247	Q	98.4	Very high	96.8	Very high	57 Å²	57	40.1 Å²	40.1	27%	0.266	21%	0.205	S	C	.	.			trans	-115.3	28.5	176.8	-57.9	-176.3	30.1	0	0	111.6	I224 K225 G249 N270 K271	I224-Q247 CarbonylContact O-C 3.53Å; I224-Q247 WeakPolarHBondContact O-CA 3.47Å; I224-Q247 PolarHBondContact O-N 3.3Å; K225-Q247 WeakPolarHBondContact CA-O 3.47Å; K225-Q247 HydrophobicContact CG-CB 4.14Å; Q247-G249 PolarHBondContact O-N 3.15Å; Q247-N270 PolarHBondContact N-OD1 3.21Å; Q247-K271 HydrophobicContact CB-CD 4.39Å
248	I	98.5	Very high	96.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.			trans	-67.8	109.5	-169.7	-59.3	165.5	0	0	0	108.8	I224 K225 I227 L243 N246 V251 M267 N270 K271 L272	I224-I248 HydrophobicContact CB-CG1 4.31Å; I224-I248 HydrophobicContact CG2-CG1 4.1Å; I224-I248 WeakPolarHBondContact O-CG1 3.42Å; I224-I248 PolarHBondContact O-N 2.77Å; K225-I248 WeakPolarHBondContact O-CA 3.41Å; I227-I248 HydrophobicContact CD1-CD1 4.17Å; I227-I248 HydrophobicContact CG1-CD1 4.16Å; I227-I248 HydrophobicContact CG1-CG2 4.15Å; L243-I248 HydrophobicContact CB-CD1 3.99Å; L243-I248 HydrophobicContact CD2-CD1 4.29Å; N246-I248 HydrophobicContact CB-CD1 4.01Å; N246-I248 HydrophobicContact CB-CG1 3.91Å; I248-V251 HydrophobicContact CG2-CG2 4.3Å; I248-M267 HydrophobicContact CD1-CE 4.06Å; I248-M267 HydrophobicContact CG2-CE 4.08Å; I248-N270 HydrophobicContact CB-CB 4.26Å; I248-N270 VanDerWaalsContact CB-OD1 3.29Å; I248-N270 WeakPolarHBondContact CB-OD1 3.48Å; I248-N270 WeakPolarHBondContact CG1-OD1 3.47Å; I248-N270 PolarHBondContact N-OD1 3.29Å; I248-K271 CarbonylContact O-C 3.19Å; I248-K271 WeakPolarHBondContact O-CA 3.32Å; I248-K271 PolarHBondContact O-N 3.37Å; I248-L272 HydrophobicContact CG2-CD2 3.93Å; I248-L272 PolarHBondContact O-N 2.79Å; I248-L272 VanDerWaalsContact O-N 3.08Å
249	G	97.7	Very high	96	Very high	28 Å²	28	36.8 Å²	36.8	29%	0.289	20%	0.196	S	C	.	.			trans	-94	-23.4	177.4	0	0	0	0	0	113.3	K225 Q247	K225-G249 PolarHBondContact O-N 3.23Å; Q247-G249 PolarHBondContact O-N 3.15Å
250	S	95.5	Very high	95.7	Very high	57 Å²	57	40.6 Å²	40.6	40%	0.399	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	149.2	179.9	58.4	0	0	0	0	112.5	V226 I227	V226-S250 WeakPolarHBondContact CA-O 3.4Å; I227-S250 PolarHBondContact N-O 3.36Å
251	V	96.3	Very high	95.6	Very high	18 Å²	18	39.1 Å²	39.1	11%	0.109	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.9	170	-178	0	0	0	0	107	I227 I248 A255 F256 M267 L272 T279	I227-V251 HydrophobicContact CB-CG1 4.22Å; I227-V251 HydrophobicContact CB-CG2 4.46Å; I227-V251 HydrophobicContact CD1-CG1 4.49Å; I227-V251 HydrophobicContact CD1-CG2 3.95Å; I227-V251 HydrophobicContact CG1-CG2 4.34Å; I248-V251 HydrophobicContact CG2-CG2 4.3Å; V251-A255 HydrophobicContact CG1-CB 3.74Å; V251-F256 HydrophobicContact CG1-CE2 3.84Å; V251-F256 HydrophobicContact CG1-CZ 4.21Å; V251-M267 HydrophobicContact CG2-CE 3.76Å; V251-L272 HydrophobicContact CG2-CD2 3.97Å; V251-T279 HydrophobicContact CB-CG2 3.97Å; V251-T279 HydrophobicContact CG1-CG2 3.83Å
252	V	93.9	Very high	95.6	Very high	54 Å²	54	39.1 Å²	39.1	33%	0.327	21%	0.211	S	C	.	.			trans	-64.8	139.7	176.4	175.7	0	0	0	0	108.9	V226 I227 A229 R254 A255	V226-V252 HydrophobicContact CG1-CG2 4.3Å; I227-V252 WeakPolarHBondContact O-CG2 3.27Å; I227-V252 PolarHBondContact O-N 2.87Å; I227-V252 VanDerWaalsContact O-N 3.07Å; A229-V252 HydrophobicContact CB-CG1 4.2Å; V252-R254 PolarHBondContact O-N 2.84Å; V252-A255 WeakPolarHBondContact O-CB 3.35Å; V252-A255 PolarHBondContact O-N 2.99Å; V252-A255 VanDerWaalsContact O-N 3.07Å
253	P	92.4	Very high	95.6	Very high	57 Å²	57	43.7 Å²	43.7	37%	0.37	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.8	137.7	175	-29.1	36.2	0	0	0	111.7	A255 H276 D278	P253-A255 PolarHBondContact O-N 2.96Å; P253-H276 HydrophobicContact CG-CB 4.43Å; P253-D278 HydrophobicContact CB-CB 4.26Å
254	R	92.8	Very high	95.6	Very high	139 Å²	139	46.8 Å²	46.8	53%	0.525	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	19.4	-179.6	-46.6	176	65.3	171.8	1.9	114.6	V252 F256 V257 D278 L281	V252-R254 PolarHBondContact O-N 2.84Å; R254-F256 PolarHBondContact O-N 2.59Å; R254-V257 HydrophobicContact CB-CB 4.27Å; R254-V257 VanDerWaalsContact O-CB 3.3Å; R254-V257 WeakPolarHBondContact O-CB 3.21Å; R254-V257 VanDerWaalsContact O-CG1 3.22Å; R254-V257 WeakPolarHBondContact O-CG1 3.42Å; R254-V257 PolarHBondContact O-N 3.49Å; R254-V257 VanDerWaalsContact O-N 3.08Å; R254-D278 HydrophobicContact CG-CB 4.11Å; R254-D278 PolarHBondContact N-O 3.18Å; R254-L281 HydrophobicContact CG-CD2 3.86Å
255	A	94.3	Very high	95.6	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-28	178.4	0	0	0	0	0	114.1	I227 V251 V252 P253	I227-A255 HydrophobicContact CG2-CB 3.85Å; V251-A255 HydrophobicContact CG1-CB 3.74Å; V252-A255 WeakPolarHBondContact O-CB 3.35Å; V252-A255 PolarHBondContact O-N 2.99Å; V252-A255 VanDerWaalsContact O-N 3.07Å; P253-A255 PolarHBondContact O-N 2.96Å
256	F	94.6	Very high	95.6	Very high	1 Å²	1	41.7 Å²	41.7	0%	0.004	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	13.6	178.7	-52	-64.5	0	0	0	113.8	I227 F232 L241 V251 R254 G258 M259 L265 M267 T279 F280 L283	I227-F256 HydrophobicContact CD1-CE1 4.02Å; I227-F256 HydrophobicContact CD1-CZ 3.64Å; I227-F256 HydrophobicContact CG2-CE1 4.4Å; F232-F256 HydrophobicContact CD2-CD1 4.09Å; F232-F256 HydrophobicContact CD2-CE1 4.2Å; F232-F256 HydrophobicContact CE2-CD1 4.47Å; F232-F256 HydrophobicContact CE2-CE1 4.12Å; L241-F256 HydrophobicContact CD2-CD1 4.42Å; L241-F256 HydrophobicContact CD2-CE1 4.05Å; V251-F256 HydrophobicContact CG1-CE2 3.84Å; V251-F256 HydrophobicContact CG1-CZ 4.21Å; R254-F256 PolarHBondContact O-N 2.59Å; F256-G258 PolarHBondContact O-N 2.94Å; F256-M259 HydrophobicContact CB-SD 3.83Å; F256-M259 HydrophobicContact CD1-SD 3.76Å; F256-M259 HydrophobicContact CG-SD 4.29Å; F256-M259 WeakPolarHBondContact O-CB 3.38Å; F256-M259 WeakPolarHBondContact O-CG 3.35Å; F256-M259 PolarHBondContact O-N 3.02Å; F256-L265 HydrophobicContact CD2-CD2 4.41Å; F256-L265 HydrophobicContact CE1-CD1 4.43Å; F256-L265 HydrophobicContact CE2-CD2 4Å; F256-L265 HydrophobicContact CZ-CD1 4.41Å; F256-L265 HydrophobicContact CZ-CD2 4.05Å; F256-M267 HydrophobicContact CE2-SD 4.5Å; F256-M267 HydrophobicContact CZ-SD 4.05Å; F256-T279 WeakPolarHBondContact CD2-O 3.34Å; F256-F280 HydrophobicContact CD2-CD1 4.33Å; F256-F280 HydrophobicContact CE2-CD1 4.33Å; F256-F280 HydrophobicContact CE2-CE1 4.3Å; F256-L283 HydrophobicContact CB-CD1 4.17Å; F256-L283 HydrophobicContact CB-CD2 3.92Å; F256-L283 HydrophobicContact CB-CG 4.22Å; F256-L283 HydrophobicContact CD2-CD1 4.32Å; F256-L283 HydrophobicContact CG-CD1 4.43Å
257	V	90.8	Very high	95.6	Very high	44 Å²	44	41.2 Å²	41.2	27%	0.267	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	135.4	-178.6	71.3	0	0	0	0	111.1	R254 M259	R254-V257 HydrophobicContact CB-CB 4.27Å; R254-V257 VanDerWaalsContact O-CB 3.3Å; R254-V257 WeakPolarHBondContact O-CB 3.21Å; R254-V257 VanDerWaalsContact O-CG1 3.22Å; R254-V257 WeakPolarHBondContact O-CG1 3.42Å; R254-V257 PolarHBondContact O-N 3.49Å; R254-V257 VanDerWaalsContact O-N 3.08Å; V257-M259 VanDerWaalsContact C-N 3.34Å
258	G	86.8	Confident	95.6	Very high	21 Å²	21	43 Å²	43	22%	0.216	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-6.6	178.8	0	0	0	0	0	115.1	H236 F256 K260	H236-G258 PolarHBondContact ND1-O 3.04Å; F256-G258 PolarHBondContact O-N 2.94Å; G258-K260 PolarHBondContact O-N 2.93Å
259	M	93.5	Very high	95.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.232	C	C	.	.			trans	-81.6	54.7	176.2	-59.1	179.1	71.7	0	0	112.1	F232 L238 L241 F256 V257 S261 L262 L283	F232-M259 HydrophobicContact CB-CE 4.18Å; F232-M259 HydrophobicContact CB-CG 4.28Å; F232-M259 HydrophobicContact CB-SD 3.55Å; F232-M259 VanDerWaalsContact CB-SD 3.55Å; F232-M259 HydrophobicContact CD2-SD 4.29Å; F232-M259 HydrophobicContact CG-SD 4.19Å; L238-M259 HydrophobicContact CB-CE 4.36Å; L238-M259 HydrophobicContact CD2-CE 3.45Å; L238-M259 VanDerWaalsContact CD2-CE 3.45Å; L238-M259 HydrophobicContact CG-CE 4.46Å; L241-M259 HydrophobicContact CD2-CE 3.94Å; F256-M259 HydrophobicContact CB-SD 3.83Å; F256-M259 HydrophobicContact CD1-SD 3.76Å; F256-M259 HydrophobicContact CG-SD 4.29Å; F256-M259 WeakPolarHBondContact O-CB 3.38Å; F256-M259 WeakPolarHBondContact O-CG 3.35Å; F256-M259 PolarHBondContact O-N 3.02Å; V257-M259 VanDerWaalsContact C-N 3.34Å; M259-S261 PolarHBondContact O-N 3.3Å; M259-L262 HydrophobicContact CB-CB 4.21Å; M259-L262 HydrophobicContact CE-CD1 3.9Å; M259-L262 HydrophobicContact CE-CD2 3.87Å; M259-L262 HydrophobicContact CE-CG 4.34Å; M259-L262 WeakPolarHBondContact O-CB 3.35Å; M259-L262 PolarHBondContact O-N 3.23Å; M259-L283 HydrophobicContact CB-CD2 3.91Å
260	K	92.1	Very high	95.7	Very high	143 Å²	143	45 Å²	45	62%	0.622	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.7	-172.5	-64.5	-177	178.6	-177.5	0	114.2	G258 S285	G258-K260 PolarHBondContact O-N 2.93Å; K260-S285 VanDerWaalsContact O-CB 3.26Å; K260-S285 WeakPolarHBondContact O-CB 3.37Å; K260-S285 PolarHBondContact O-OG 3.21Å; K260-S285 VanDerWaalsContact O-OG 3.1Å
261	S	97.2	Very high	95.8	Very high	44 Å²	44	47.9 Å²	47.9	31%	0.308	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.8	179.5	-53.2	0	0	0	0	113.4	H236 L238 M259 R263	H236-S261 WeakPolarHBondContact O-CB 3.3Å; H236-S261 PolarHBondContact O-OG 2.88Å; L238-S261 CarbonylContact O-C 3.14Å; M259-S261 PolarHBondContact O-N 3.3Å; S261-R263 WeakPolarHBondContact O-CG 3.45Å; S261-R263 PolarHBondContact O-N 3.32Å
262	L	98.4	Very high	95.9	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.			trans	-69.7	121.8	-172.7	-168.8	71.7	0	0	0	109.9	L238 L241 M259 L265 L283 S285 L286	L238-L262 HydrophobicContact CD2-CD1 4.23Å; L238-L262 HydrophobicContact CG-CD1 4.37Å; L238-L262 WeakPolarHBondContact O-CA 3.39Å; L238-L262 PolarHBondContact O-N 2.8Å; L238-L262 VanDerWaalsContact O-N 3.09Å; L241-L262 HydrophobicContact CB-CD1 3.9Å; M259-L262 HydrophobicContact CB-CB 4.21Å; M259-L262 HydrophobicContact CE-CD1 3.9Å; M259-L262 HydrophobicContact CE-CD2 3.87Å; M259-L262 HydrophobicContact CE-CG 4.34Å; M259-L262 WeakPolarHBondContact O-CB 3.35Å; M259-L262 PolarHBondContact O-N 3.23Å; L262-L265 HydrophobicContact CD2-CB 4.17Å; L262-L283 HydrophobicContact CB-CD2 4.24Å; L262-L283 HydrophobicContact CD2-CD1 4.29Å; L262-L283 HydrophobicContact CD2-CD2 3.92Å; L262-S285 CarbonylContact O-C 3.18Å; L262-S285 VanDerWaalsContact O-O 3.08Å; L262-L286 HydrophobicContact CB-CD1 4.48Å; L262-L286 HydrophobicContact CD2-CD1 4.04Å; L262-L286 HydrophobicContact CG-CD1 3.95Å; L262-L286 VanDerWaalsContact O-CA 3.24Å; L262-L286 WeakPolarHBondContact O-CA 3.17Å; L262-L286 PolarHBondContact O-N 2.69Å; L262-L286 VanDerWaalsContact O-N 3.17Å
263	R	98.8	Very high	96.1	Very high	134 Å²	134	48 Å²	48	51%	0.506	23%	0.228	S	C	.	.			trans	-106.7	-28.9	-179.5	-60.7	-175.7	-177.2	-176	-3.2	112.4	Q239 S261 S285 H287 V288	Q239-R263 PolarHBondContact O-N 3.22Å; S261-R263 WeakPolarHBondContact O-CG 3.45Å; S261-R263 PolarHBondContact O-N 3.32Å; R263-S285 WeakPolarHBondContact CA-O 3.29Å; R263-H287 PolarHBondContact O-N 3.14Å; R263-V288 PolarHBondContact O-N 3.26Å
264	W	98.9	Very high	96.2	Very high	65 Å²	65	48.8 Å²	48.8	25%	0.246	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	121.3	-174.9	-170.8	-73.7	0	0	0	111.1	Q239 K240 L241 Y242 V288 R290	Q239-W264 PolarHBondContact O-N 2.98Å; K240-W264 HydrophobicContact CB-CB 4.21Å; K240-W264 HydrophobicContact CG-CB 4.01Å; L241-W264 PolarHBondContact N-O 3.02Å; Y242-W264 AromaticContact CD1-NE1 3.9Å; Y242-W264 AromaticContact CE1-CD1 3.74Å; Y242-W264 AromaticContact CE1-NE1 3.46Å; W264-V288 HydrophobicContact CD2-CB 3.91Å; W264-V288 HydrophobicContact CD2-CG1 3.91Å; W264-V288 HydrophobicContact CD2-CG2 4.43Å; W264-V288 HydrophobicContact CE3-CB 3.56Å; W264-V288 HydrophobicContact CE3-CG1 3.79Å; W264-V288 HydrophobicContact CE3-CG2 3.59Å; W264-V288 HydrophobicContact CG-CB 4.45Å; W264-V288 HydrophobicContact CH2-CG1 4.05Å; W264-V288 HydrophobicContact CZ2-CG1 4.16Å; W264-V288 HydrophobicContact CZ3-CB 3.97Å; W264-V288 HydrophobicContact CZ3-CG1 3.86Å; W264-V288 HydrophobicContact CZ3-CG2 3.68Å; W264-R290 VanDerWaalsContact CZ2-CZ 3.41Å; W264-R290 VanDerWaalsContact CZ2-NH1 3.32Å
265	L	98.9	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	113.2	173.7	179.4	56.5	0	0	0	109.9	L241 L243 F256 L262 M267 F280 L283 L286 V288 L289 R290	L241-L265 HydrophobicContact CB-CD1 4.15Å; L241-L265 HydrophobicContact CD2-CD1 4Å; L241-L265 HydrophobicContact CG-CD1 4.07Å; L243-L265 HydrophobicContact CD1-CD1 4.3Å; F256-L265 HydrophobicContact CD2-CD2 4.41Å; F256-L265 HydrophobicContact CE1-CD1 4.43Å; F256-L265 HydrophobicContact CE2-CD2 4Å; F256-L265 HydrophobicContact CZ-CD1 4.41Å; F256-L265 HydrophobicContact CZ-CD2 4.05Å; L262-L265 HydrophobicContact CD2-CB 4.17Å; L265-M267 HydrophobicContact CD1-CG 4Å; L265-M267 HydrophobicContact CD1-SD 4.36Å; L265-M267 HydrophobicContact CD2-SD 4.32Å; L265-M267 HydrophobicContact CG-CG 4.13Å; L265-M267 HydrophobicContact CG-SD 4.39Å; L265-F280 HydrophobicContact CD2-CD1 4.16Å; L265-F280 HydrophobicContact CD2-CE1 3.95Å; L265-L283 HydrophobicContact CD2-CD1 4.2Å; L265-L286 HydrophobicContact CB-CD1 3.92Å; L265-L286 HydrophobicContact CB-CD2 4.46Å; L265-V288 PolarHBondContact N-O 3.18Å; L265-L289 HydrophobicContact CB-CD1 4.13Å; L265-L289 HydrophobicContact CD2-CD1 3.94Å; L265-L289 HydrophobicContact CG-CD1 4.05Å; L265-R290 PolarHBondContact O-N 2.97Å
266	D	98.9	Very high	96.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	113.9	178.8	-171.1	-2.1	0	0	0	111.3	L241 Y242 L243 A244 R268	L241-D266 PolarHBondContact O-N 3.06Å; Y242-D266 HydrophobicContact CD1-CB 3.94Å; L243-D266 CarbonylContact C-O 3.46Å; L243-D266 WeakPolarHBondContact CA-O 3.32Å; L243-D266 WeakPolarHBondContact CB-O 2.98Å; L243-D266 PolarHBondContact N-O 2.69Å; A244-D266 PolarHBondContact N-O 3.02Å; D266-R268 WeakPolarHBondContact OD1-CG 3.21Å; D266-R268 PolarHBondContact OD1-N 2.79Å; D266-R268 VanDerWaalsContact OD1-N 3.12Å; D266-R268 IonicContact OD1-NE 3Å; D266-R268 PolarHBondContact OD1-NE 3.01Å; D266-R268 IonicContact OD2-CZ 2.9Å; D266-R268 IonicContact OD2-NE 3.97Å; D266-R268 PolarHBondContact OD2-NE 2.96Å; D266-R268 IonicContact OD2-NH2 3.93Å; D266-R268 PolarHBondContact OD2-NH2 3.27Å
267	M	98.7	Very high	96.1	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.24	C	C	.	.			trans	-125.5	22.9	178.9	-63.5	-170.2	68.8	0	0	111.9	I227 L243 I248 V251 F256 L265 N270 L272 R290 L291 N294	I227-M267 HydrophobicContact CD1-CE 3.62Å; I227-M267 HydrophobicContact CD1-SD 4.4Å; L243-M267 HydrophobicContact CB-CG 4.25Å; L243-M267 HydrophobicContact CD1-CG 4.37Å; I248-M267 HydrophobicContact CD1-CE 4.06Å; I248-M267 HydrophobicContact CG2-CE 4.08Å; V251-M267 HydrophobicContact CG2-CE 3.76Å; F256-M267 HydrophobicContact CE2-SD 4.5Å; F256-M267 HydrophobicContact CZ-SD 4.05Å; L265-M267 HydrophobicContact CD1-CG 4Å; L265-M267 HydrophobicContact CD1-SD 4.36Å; L265-M267 HydrophobicContact CD2-SD 4.32Å; L265-M267 HydrophobicContact CG-CG 4.13Å; L265-M267 HydrophobicContact CG-SD 4.39Å; M267-N270 PolarHBondContact O-ND2 2.96Å; M267-L272 HydrophobicContact CE-CD1 3.98Å; M267-R290 CarbonylContact C-O 3.53Å; M267-R290 WeakPolarHBondContact CA-O 3.34Å; M267-R290 PolarHBondContact N-O 2.95Å; M267-L291 HydrophobicContact CB-CD2 3.95Å; M267-L291 HydrophobicContact SD-CD2 4.41Å; M267-N294 PolarHBondContact O-ND2 2.74Å
268	R	98.8	Very high	96.3	Very high	93 Å²	93	48.4 Å²	48.4	35%	0.351	24%	0.237	S	C	.	.			trans	-63.4	157.5	179.9	72.7	-172	132.4	158.6	0.2	112.9	A244 Q245 D266 N270 R290 S292	A244-R268 CarbonylContact C-O 3.52Å; A244-R268 WeakPolarHBondContact CA-O 3.49Å; A244-R268 HydrophobicContact CB-CG 3.64Å; Q245-R268 PolarHBondContact N-O 3.46Å; D266-R268 WeakPolarHBondContact OD1-CG 3.21Å; D266-R268 PolarHBondContact OD1-N 2.79Å; D266-R268 VanDerWaalsContact OD1-N 3.12Å; D266-R268 IonicContact OD1-NE 3Å; D266-R268 PolarHBondContact OD1-NE 3.01Å; D266-R268 IonicContact OD2-CZ 2.9Å; D266-R268 IonicContact OD2-NE 3.97Å; D266-R268 PolarHBondContact OD2-NE 2.96Å; D266-R268 IonicContact OD2-NH2 3.93Å; D266-R268 PolarHBondContact OD2-NH2 3.27Å; R268-N270 PolarHBondContact O-ND2 3.39Å; R268-R290 PolarHBondContact N-O 3.12Å; R268-S292 CarbonylContact C-O 3.11Å; R268-S292 WeakPolarHBondContact CA-O 3.29Å; R268-S292 WeakPolarHBondContact CB-O 3.37Å
269	N	98.8	Very high	96.7	Very high	59 Å²	59	47.5 Å²	47.5	32%	0.316	23%	0.228	S	C	.	.	S	Bend	trans	56.1	55.4	178.2	-56.3	-44.6	0	0	0	111.8	Q245 N246 S292 N293	Q245-N269 WeakPolarHBondContact CA-O 3.24Å; Q245-N269 HydrophobicContact CB-CB 4.46Å; Q245-N269 HydrophobicContact CG-CB 3.89Å; Q245-N269 PolarHBondContact N-O 3.05Å; N246-N269 PolarHBondContact N-O 3.46Å; N269-S292 PolarHBondContact N-O 3.14Å; N269-N293 CarbonylContact C-O 3.06Å; N269-N293 WeakPolarHBondContact CA-O 3.43Å; N269-N293 HydrophobicContact CB-CB 4.5Å; N269-N293 PolarHBondContact N-O 3.19Å; N269-N293 WeakPolarHBondContact OD1-CB 3.38Å; N269-N293 VanDerWaalsContact OD1-CG 3.29Å; N269-N293 PolarHBondContact OD1-ND2 3.23Å
270	N	98.9	Very high	96.8	Very high	13 Å²	13	47.8 Å²	47.8	7%	0.07	23%	0.229	C	C	.	.	S	Bend	trans	-126.7	-164.9	176.8	-89.1	-72.3	0	0	0	110	L243 N246 Q247 I248 M267 R268 N293 N294	L243-N270 PolarHBondContact O-ND2 2.89Å; N246-N270 VanDerWaalsContact CA-OD1 3.27Å; N246-N270 WeakPolarHBondContact CA-OD1 3.45Å; N246-N270 WeakPolarHBondContact CB-OD1 3.16Å; N246-N270 PolarHBondContact N-OD1 3.44Å; N246-N270 PolarHBondContact O-OD1 3.36Å; Q247-N270 PolarHBondContact N-OD1 3.21Å; I248-N270 HydrophobicContact CB-CB 4.26Å; I248-N270 VanDerWaalsContact CB-OD1 3.29Å; I248-N270 WeakPolarHBondContact CB-OD1 3.48Å; I248-N270 WeakPolarHBondContact CG1-OD1 3.47Å; I248-N270 PolarHBondContact N-OD1 3.29Å; M267-N270 PolarHBondContact O-ND2 2.96Å; R268-N270 PolarHBondContact O-ND2 3.39Å; N270-N293 PolarHBondContact N-O 3.36Å; N270-N293 VanDerWaalsContact N-O 3.15Å; N270-N294 VanDerWaalsContact CA-OD1 3.3Å; N270-N294 WeakPolarHBondContact CA-OD1 3.41Å; N270-N294 WeakPolarHBondContact CB-OD1 3.33Å; N270-N294 PolarHBondContact O-OD1 3.06Å
271	K	98.6	Very high	96.8	Very high	116 Å²	116	42.6 Å²	42.6	50%	0.504	21%	0.208	S	C	.	.			trans	-119.7	22.8	-176	-60	-175.2	179	179.5	0	112.6	Q247 I248 T273 N294	Q247-K271 HydrophobicContact CB-CD 4.39Å; I248-K271 CarbonylContact O-C 3.19Å; I248-K271 WeakPolarHBondContact O-CA 3.32Å; I248-K271 PolarHBondContact O-N 3.37Å; K271-T273 PolarHBondContact O-N 2.88Å; K271-N294 PolarHBondContact N-OD1 2.92Å
272	L	98.4	Very high	96.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.205	C	C	.	.			trans	-62.3	130.4	-177.9	-66.8	172.9	0	0	0	110	I248 V251 M267 L275 L291 N294 S295 I296	I248-L272 HydrophobicContact CG2-CD2 3.93Å; I248-L272 PolarHBondContact O-N 2.79Å; I248-L272 VanDerWaalsContact O-N 3.08Å; V251-L272 HydrophobicContact CG2-CD2 3.97Å; M267-L272 HydrophobicContact CE-CD1 3.98Å; L272-L275 HydrophobicContact CD1-CD2 4.43Å; L272-L291 HydrophobicContact CD1-CD2 3.8Å; L272-N294 HydrophobicContact CB-CB 4.14Å; L272-N294 WeakPolarHBondContact CB-OD1 3.35Å; L272-N294 WeakPolarHBondContact CG-OD1 3.47Å; L272-N294 PolarHBondContact N-OD1 2.81Å; L272-S295 CarbonylContact O-C 3.55Å; L272-S295 WeakPolarHBondContact O-CA 3.46Å; L272-S295 PolarHBondContact O-N 2.93Å; L272-I296 HydrophobicContact CB-CG1 4.11Å; L272-I296 PolarHBondContact O-N 3.07Å; L272-I296 VanDerWaalsContact O-N 3.07Å
273	T	97.2	Very high	96.4	Very high	73 Å²	73	41.7 Å²	41.7	45%	0.448	21%	0.205	S	C	.	.			trans	-108	-25.8	179.3	53	0	0	0	0	113.1	K271 S295 I296 T297	K271-T273 PolarHBondContact O-N 2.88Å; T273-S295 WeakPolarHBondContact CA-O 3.38Å; T273-I296 WeakPolarHBondContact O-CA 3.47Å; T273-T297 PolarHBondContact O-N 2.97Å; T273-T297 VanDerWaalsContact O-N 3.13Å
274	S	95.3	Very high	96.1	Very high	75 Å²	75	37.7 Å²	37.7	52%	0.524	20%	0.198	S	C	.	.			trans	-152	159.5	179.6	59.3	0	0	0	0	110.9
275	L	94.8	Very high	96.1	Very high	8 Å²	8	36.6 Å²	36.6	4%	0.042	20%	0.2	C	C	.	.			trans	-120.6	130.2	174.7	-59.9	171.5	0	0	0	108.5	L272 F280 L291 I296 L299 T303 F304	L272-L275 HydrophobicContact CD1-CD2 4.43Å; L275-F280 HydrophobicContact CD1-CE2 4.19Å; L275-F280 HydrophobicContact CD2-CE2 4.27Å; L275-F280 HydrophobicContact CD2-CZ 4.17Å; L275-L291 HydrophobicContact CD1-CD1 4.09Å; L275-I296 HydrophobicContact CD1-CD1 4.06Å; L275-I296 HydrophobicContact CD2-CD1 4.47Å; L275-I296 HydrophobicContact CG-CD1 4.26Å; L275-L299 HydrophobicContact CD1-CD2 4.08Å; L275-T303 HydrophobicContact CB-CG2 3.84Å; L275-T303 HydrophobicContact CD1-CG2 4.24Å; L275-F304 HydrophobicContact CD1-CZ 4.39Å
276	H	92.7	Very high	96	Very high	68 Å²	68	36.6 Å²	36.6	32%	0.315	20%	0.2	S	C	.	.			trans	-81.1	153.1	171.7	-165.9	-93.2	0	0	0	110.4	P253 D278 T279	P253-H276 HydrophobicContact CG-CB 4.43Å; H276-D278 IonicContact CE1-OD2 3.32Å; H276-D278 PolarHBondContact ND1-N 3.25Å; H276-D278 IonicContact ND1-OD2 3.68Å; H276-D278 PolarHBondContact O-N 3.48Å; H276-T279 WeakPolarHBondContact CA-OG1 3.16Å; H276-T279 WeakPolarHBondContact CB-OG1 3.31Å; H276-T279 PolarHBondContact N-OG1 3.14Å; H276-T279 VanDerWaalsContact O-CB 3.31Å; H276-T279 WeakPolarHBondContact O-CB 3.47Å; H276-T279 PolarHBondContact O-N 3.17Å; H276-T279 PolarHBondContact O-OG1 3.23Å
277	E	92.9	Very high	96	Very high	61 Å²	61	39 Å²	39	29%	0.285	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.8	179.9	60.6	-180	176.7	0	0	113	R302	E277-R302 IonicContact OE1-NH2 2.91Å; E277-R302 IonicContact OE2-CZ 3.97Å; E277-R302 IonicContact OE2-NE 2.81Å; E277-R302 PolarHBondContact OE2-NE 2.94Å; E277-R302 IonicContact OE2-NH2 3.84Å; E277-R302 PolarHBondContact OE2-NH2 2.91Å
278	D	94.1	Very high	96	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.214	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	12	178.3	-61.1	-38	0	0	0	114.3	P253 R254 H276 F280 L281 R305	P253-D278 HydrophobicContact CB-CB 4.26Å; R254-D278 HydrophobicContact CG-CB 4.11Å; R254-D278 PolarHBondContact N-O 3.18Å; H276-D278 IonicContact CE1-OD2 3.32Å; H276-D278 PolarHBondContact ND1-N 3.25Å; H276-D278 IonicContact ND1-OD2 3.68Å; H276-D278 PolarHBondContact O-N 3.48Å; D278-F280 VanDerWaalsContact C-N 3.35Å; D278-F280 PolarHBondContact O-N 3.13Å; D278-L281 HydrophobicContact CB-CB 4.32Å; D278-R305 IonicContact OD1-NH2 2.81Å
279	T	94.4	Very high	96	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-46.6	-179.2	-55.9	0	0	0	0	110.9	V251 F256 H276	V251-T279 HydrophobicContact CB-CG2 3.97Å; V251-T279 HydrophobicContact CG1-CG2 3.83Å; F256-T279 WeakPolarHBondContact CD2-O 3.34Å; H276-T279 WeakPolarHBondContact CA-OG1 3.16Å; H276-T279 WeakPolarHBondContact CB-OG1 3.31Å; H276-T279 PolarHBondContact N-OG1 3.14Å; H276-T279 VanDerWaalsContact O-CB 3.31Å; H276-T279 WeakPolarHBondContact O-CB 3.47Å; H276-T279 PolarHBondContact O-N 3.17Å; H276-T279 PolarHBondContact O-OG1 3.23Å
280	F	95.4	Very high	96.1	Very high	5 Å²	5	34.4 Å²	34.4	2%	0.022	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	19.7	-176.3	-53.3	-64.8	0	0	0	113.2	F256 L265 L275 D278 G282 L283 L289 L291 T303 F304 L307	F256-F280 HydrophobicContact CD2-CD1 4.33Å; F256-F280 HydrophobicContact CE2-CD1 4.33Å; F256-F280 HydrophobicContact CE2-CE1 4.3Å; L265-F280 HydrophobicContact CD2-CD1 4.16Å; L265-F280 HydrophobicContact CD2-CE1 3.95Å; L275-F280 HydrophobicContact CD1-CE2 4.19Å; L275-F280 HydrophobicContact CD2-CE2 4.27Å; L275-F280 HydrophobicContact CD2-CZ 4.17Å; D278-F280 VanDerWaalsContact C-N 3.35Å; D278-F280 PolarHBondContact O-N 3.13Å; F280-G282 PolarHBondContact O-N 3.43Å; F280-L283 HydrophobicContact CB-CD1 4.1Å; F280-L283 HydrophobicContact CD1-CD1 4Å; F280-L283 WeakPolarHBondContact O-CB 3.5Å; F280-L283 PolarHBondContact O-N 3.26Å; F280-L289 HydrophobicContact CD1-CD2 4.46Å; F280-L289 HydrophobicContact CD2-CD2 4.32Å; F280-L289 HydrophobicContact CE1-CD1 3.95Å; F280-L289 HydrophobicContact CE1-CD2 4.16Å; F280-L289 HydrophobicContact CE2-CD2 4.02Å; F280-L289 HydrophobicContact CZ-CD1 4.19Å; F280-L289 HydrophobicContact CZ-CD2 3.94Å; F280-L291 HydrophobicContact CE2-CD1 4.41Å; F280-L291 HydrophobicContact CZ-CD1 3.99Å; F280-L291 HydrophobicContact CZ-CD2 4.38Å; F280-T303 HydrophobicContact CD2-CG2 4.44Å; F280-T303 HydrophobicContact CE2-CG2 4.45Å; F280-F304 HydrophobicContact CD2-CD1 4.13Å; F280-F304 HydrophobicContact CD2-CE1 4.21Å; F280-F304 HydrophobicContact CE2-CD1 4.33Å; F280-F304 AromaticContact CE2-CE1 3.93Å; F280-F304 HydrophobicContact CE2-CE1 3.93Å; F280-L307 HydrophobicContact CB-CD1 4.38Å; F280-L307 HydrophobicContact CB-CD2 4.1Å
281	L	93.6	Very high	96	Very high	34 Å²	34	33.8 Å²	33.8	18%	0.178	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	126.1	-177.1	-172.4	76.4	0	0	0	111.2	R254 D278 D306	R254-L281 HydrophobicContact CG-CD2 3.86Å; D278-L281 HydrophobicContact CB-CB 4.32Å; L281-D306 WeakPolarHBondContact CD1-OD2 3.47Å
282	G	90.8	Very high	96.1	Very high	25 Å²	25	28.9 Å²	28.9	26%	0.258	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	6.3	177	0	0	0	0	0	116.4	F280 S284 D306	F280-G282 PolarHBondContact O-N 3.43Å; G282-S284 PolarHBondContact O-N 3.29Å; G282-D306 PolarHBondContact N-OD2 2.99Å
283	L	95.3	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.185	C	C	.	.			trans	-79.9	57.3	173.9	-65.2	-173.7	0	0	0	112.1	F256 M259 L262 L265 F280 S285 L286 L307	F256-L283 HydrophobicContact CB-CD1 4.17Å; F256-L283 HydrophobicContact CB-CD2 3.92Å; F256-L283 HydrophobicContact CB-CG 4.22Å; F256-L283 HydrophobicContact CD2-CD1 4.32Å; F256-L283 HydrophobicContact CG-CD1 4.43Å; M259-L283 HydrophobicContact CB-CD2 3.91Å; L262-L283 HydrophobicContact CB-CD2 4.24Å; L262-L283 HydrophobicContact CD2-CD1 4.29Å; L262-L283 HydrophobicContact CD2-CD2 3.92Å; L265-L283 HydrophobicContact CD2-CD1 4.2Å; F280-L283 HydrophobicContact CB-CD1 4.1Å; F280-L283 HydrophobicContact CD1-CD1 4Å; F280-L283 WeakPolarHBondContact O-CB 3.5Å; F280-L283 PolarHBondContact O-N 3.26Å; L283-S285 PolarHBondContact O-N 3.39Å; L283-S285 VanDerWaalsContact O-N 3.15Å; L283-L286 HydrophobicContact CB-CB 4.27Å; L283-L286 HydrophobicContact CD1-CD2 4.17Å; L283-L286 WeakPolarHBondContact O-CB 3.24Å; L283-L286 PolarHBondContact O-N 3.01Å; L283-L307 HydrophobicContact CB-CD2 3.67Å; L283-L307 WeakPolarHBondContact O-CD2 3.33Å
284	S	93.9	Very high	96.2	Very high	51 Å²	51	29 Å²	29	36%	0.357	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-0.1	-170.5	59.2	0	0	0	0	115.7	G282 Y309	G282-S284 PolarHBondContact O-N 3.29Å; S284-Y309 WeakPolarHBondContact O-CD2 3.31Å
285	S	97.1	Very high	96.3	Very high	41 Å²	41	26.8 Å²	26.8	29%	0.287	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	16.5	177.6	-60.1	0	0	0	0	112.3	K260 L262 R263 L283 H287	K260-S285 VanDerWaalsContact O-CB 3.26Å; K260-S285 WeakPolarHBondContact O-CB 3.37Å; K260-S285 PolarHBondContact O-OG 3.21Å; K260-S285 VanDerWaalsContact O-OG 3.1Å; L262-S285 CarbonylContact O-C 3.18Å; L262-S285 VanDerWaalsContact O-O 3.08Å; R263-S285 WeakPolarHBondContact CA-O 3.29Å; L283-S285 PolarHBondContact O-N 3.39Å; L283-S285 VanDerWaalsContact O-N 3.15Å; S285-H287 PolarHBondContact O-CD2 3.07Å; S285-H287 PolarHBondContact O-N 3.07Å
286	L	98.4	Very high	96.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	15%	0.148	C	C	.	.			trans	-74.8	125.6	-179.4	-161.9	72.9	0	0	0	109.7	L262 L265 L283 L289 L307 Y309 L310	L262-L286 HydrophobicContact CB-CD1 4.48Å; L262-L286 HydrophobicContact CD2-CD1 4.04Å; L262-L286 HydrophobicContact CG-CD1 3.95Å; L262-L286 VanDerWaalsContact O-CA 3.24Å; L262-L286 WeakPolarHBondContact O-CA 3.17Å; L262-L286 PolarHBondContact O-N 2.69Å; L262-L286 VanDerWaalsContact O-N 3.17Å; L265-L286 HydrophobicContact CB-CD1 3.92Å; L265-L286 HydrophobicContact CB-CD2 4.46Å; L283-L286 HydrophobicContact CB-CB 4.27Å; L283-L286 HydrophobicContact CD1-CD2 4.17Å; L283-L286 WeakPolarHBondContact O-CB 3.24Å; L283-L286 PolarHBondContact O-N 3.01Å; L286-L289 HydrophobicContact CD2-CB 3.96Å; L286-L289 HydrophobicContact CD2-CD1 4.39Å; L286-L289 HydrophobicContact CD2-CD2 4.45Å; L286-L307 HydrophobicContact CB-CD2 4.21Å; L286-L307 HydrophobicContact CD2-CD1 4.37Å; L286-L307 HydrophobicContact CD2-CD2 4Å; L286-Y309 CarbonylContact O-C 3.32Å; L286-Y309 VanDerWaalsContact O-C 3.22Å; L286-L310 HydrophobicContact CB-CD1 4.36Å; L286-L310 HydrophobicContact CD2-CD1 4.02Å; L286-L310 HydrophobicContact CG-CD1 4.03Å; L286-L310 WeakPolarHBondContact O-CA 3.36Å; L286-L310 PolarHBondContact O-N 3.18Å; L286-L310 VanDerWaalsContact O-N 3.14Å
287	H	98.8	Very high	96.6	Very high	51 Å²	51	26.9 Å²	26.9	24%	0.236	16%	0.156	C	C	.	.			trans	-102.3	-34.9	176.1	-69.8	-99.5	0	0	0	111.4	R263 S285 E311 E312	R263-H287 PolarHBondContact O-N 3.14Å; S285-H287 PolarHBondContact O-CD2 3.07Å; S285-H287 PolarHBondContact O-N 3.07Å; H287-E311 IonicContact CE1-OE1 3.72Å; H287-E311 PolarHBondContact CE1-OE1 3.18Å; H287-E311 IonicContact CG-OE1 3.5Å; H287-E311 VanDerWaalsContact ND1-CD 3.27Å; H287-E311 IonicContact ND1-OE1 3.75Å; H287-E311 PolarHBondContact ND1-OE1 3.44Å; H287-E311 IonicContact ND1-OE2 2.95Å; H287-E311 PolarHBondContact O-N 3.32Å; H287-E312 PolarHBondContact O-N 2.95Å
288	V	98.9	Very high	96.7	Very high	14 Å²	14	25.3 Å²	25.3	9%	0.085	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.6	-175.9	179.8	0	0	0	0	111	R263 W264 L265 R290 E312	R263-V288 PolarHBondContact O-N 3.26Å; W264-V288 HydrophobicContact CD2-CB 3.91Å; W264-V288 HydrophobicContact CD2-CG1 3.91Å; W264-V288 HydrophobicContact CD2-CG2 4.43Å; W264-V288 HydrophobicContact CE3-CB 3.56Å; W264-V288 HydrophobicContact CE3-CG1 3.79Å; W264-V288 HydrophobicContact CE3-CG2 3.59Å; W264-V288 HydrophobicContact CG-CB 4.45Å; W264-V288 HydrophobicContact CH2-CG1 4.05Å; W264-V288 HydrophobicContact CZ2-CG1 4.16Å; W264-V288 HydrophobicContact CZ3-CB 3.97Å; W264-V288 HydrophobicContact CZ3-CG1 3.86Å; W264-V288 HydrophobicContact CZ3-CG2 3.68Å; L265-V288 PolarHBondContact N-O 3.18Å; V288-R290 HydrophobicContact CG1-CG 3.96Å; V288-E312 HydrophobicContact CG1-CB 4.32Å; V288-E312 HydrophobicContact CG2-CB 4.17Å
289	L	98.9	Very high	96.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.1	173.9	178.9	55.2	0	0	0	110.3	L265 F280 L286 L291 F304 L307 L310 E312 L313 R314	L265-L289 HydrophobicContact CB-CD1 4.13Å; L265-L289 HydrophobicContact CD2-CD1 3.94Å; L265-L289 HydrophobicContact CG-CD1 4.05Å; F280-L289 HydrophobicContact CD1-CD2 4.46Å; F280-L289 HydrophobicContact CD2-CD2 4.32Å; F280-L289 HydrophobicContact CE1-CD1 3.95Å; F280-L289 HydrophobicContact CE1-CD2 4.16Å; F280-L289 HydrophobicContact CE2-CD2 4.02Å; F280-L289 HydrophobicContact CZ-CD1 4.19Å; F280-L289 HydrophobicContact CZ-CD2 3.94Å; L286-L289 HydrophobicContact CD2-CB 3.96Å; L286-L289 HydrophobicContact CD2-CD1 4.39Å; L286-L289 HydrophobicContact CD2-CD2 4.45Å; L289-L291 HydrophobicContact CD1-CD1 4.19Å; L289-L291 HydrophobicContact CD1-CD2 4.49Å; L289-L291 HydrophobicContact CD1-CG 4.08Å; L289-L291 HydrophobicContact CD2-CD1 4Å; L289-L291 HydrophobicContact CG-CD1 3.95Å; L289-L291 HydrophobicContact CG-CG 4.17Å; L289-F304 HydrophobicContact CD2-CD1 4.3Å; L289-F304 HydrophobicContact CD2-CE1 4.07Å; L289-L307 HydrophobicContact CD2-CD1 3.86Å; L289-L310 HydrophobicContact CB-CD1 3.8Å; L289-L310 HydrophobicContact CB-CD2 4.36Å; L289-E312 PolarHBondContact N-O 3.26Å; L289-L313 HydrophobicContact CB-CD1 4.13Å; L289-L313 HydrophobicContact CD2-CD1 3.93Å; L289-L313 HydrophobicContact CG-CD1 3.99Å; L289-R314 PolarHBondContact O-N 3.39Å
290	R	98.9	Very high	96.8	Very high	42 Å²	42	31.4 Å²	31.4	16%	0.158	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.8	179.7	-63.7	-177.9	173.8	179.3	-2.3	111.3	W264 L265 M267 R268 V288 E312 R314	W264-R290 VanDerWaalsContact CZ2-CZ 3.41Å; W264-R290 VanDerWaalsContact CZ2-NH1 3.32Å; L265-R290 PolarHBondContact O-N 2.97Å; M267-R290 CarbonylContact C-O 3.53Å; M267-R290 WeakPolarHBondContact CA-O 3.34Å; M267-R290 PolarHBondContact N-O 2.95Å; R268-R290 PolarHBondContact N-O 3.12Å; V288-R290 HydrophobicContact CG1-CG 3.96Å; R290-E312 IonicContact CZ-OE1 3.58Å; R290-E312 IonicContact NE-OE1 3.58Å; R290-E312 PolarHBondContact NE-OE1 3.41Å; R290-E312 IonicContact NH2-OE1 3.15Å; R290-E312 PolarHBondContact NH2-OE1 3.08Å; R290-E312 IonicContact NH2-OE2 2.79Å; R290-R314 HydrophobicContact CG-CB 4.34Å; R290-R314 HydrophobicContact CG-CG 4.24Å
291	L	98.8	Very high	96.8	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.			trans	-126.2	11.9	-178.9	-68.1	164.8	0	0	0	112	M267 L272 L275 F280 L289 N294 I296 R314 L315 N318	M267-L291 HydrophobicContact CB-CD2 3.95Å; M267-L291 HydrophobicContact SD-CD2 4.41Å; L272-L291 HydrophobicContact CD1-CD2 3.8Å; L275-L291 HydrophobicContact CD1-CD1 4.09Å; F280-L291 HydrophobicContact CE2-CD1 4.41Å; F280-L291 HydrophobicContact CZ-CD1 3.99Å; F280-L291 HydrophobicContact CZ-CD2 4.38Å; L289-L291 HydrophobicContact CD1-CD1 4.19Å; L289-L291 HydrophobicContact CD1-CD2 4.49Å; L289-L291 HydrophobicContact CD1-CG 4.08Å; L289-L291 HydrophobicContact CD2-CD1 4Å; L289-L291 HydrophobicContact CG-CD1 3.95Å; L289-L291 HydrophobicContact CG-CG 4.17Å; L291-N294 PolarHBondContact O-ND2 2.98Å; L291-I296 HydrophobicContact CB-CD1 4.22Å; L291-R314 CarbonylContact C-O 3.58Å; L291-R314 WeakPolarHBondContact CA-O 3.12Å; L291-R314 PolarHBondContact N-O 2.89Å; L291-L315 HydrophobicContact CB-CD2 3.86Å; L291-L315 HydrophobicContact CD1-CD2 3.89Å; L291-N318 PolarHBondContact O-ND2 2.7Å
292	S	98.8	Very high	96.9	Very high	14 Å²	14	38.9 Å²	38.9	10%	0.098	21%	0.212	C	C	.	.			trans	-60.3	155.2	-178.5	-46.2	0	0	0	0	112.9	R268 N269 N294 R314 S316	R268-S292 CarbonylContact C-O 3.11Å; R268-S292 WeakPolarHBondContact CA-O 3.29Å; R268-S292 WeakPolarHBondContact CB-O 3.37Å; N269-S292 PolarHBondContact N-O 3.14Å; S292-N294 PolarHBondContact O-ND2 3.35Å; S292-R314 PolarHBondContact N-O 3.35Å; S292-R314 WeakPolarHBondContact OG-CB 3.4Å; S292-S316 CarbonylContact C-O 3.39Å; S292-S316 WeakPolarHBondContact CA-O 3.32Å; S292-S316 WeakPolarHBondContact CB-O 3.4Å
293	N	98.8	Very high	97.1	Very high	68 Å²	68	37.8 Å²	37.8	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	54.5	56.5	-178.7	-65.5	-47.1	0	0	0	112.1	N269 N270 S316 Y317	N269-N293 CarbonylContact C-O 3.06Å; N269-N293 WeakPolarHBondContact CA-O 3.43Å; N269-N293 HydrophobicContact CB-CB 4.5Å; N269-N293 PolarHBondContact N-O 3.19Å; N269-N293 WeakPolarHBondContact OD1-CB 3.38Å; N269-N293 VanDerWaalsContact OD1-CG 3.29Å; N269-N293 PolarHBondContact OD1-ND2 3.23Å; N270-N293 PolarHBondContact N-O 3.36Å; N270-N293 VanDerWaalsContact N-O 3.15Å; N293-S316 PolarHBondContact N-O 2.99Å; N293-Y317 VanDerWaalsContact CA-O 3.27Å; N293-Y317 WeakPolarHBondContact CA-O 3.46Å; N293-Y317 PolarHBondContact N-O 3.12Å; N293-Y317 WeakPolarHBondContact OD1-CB 3.32Å
294	N	98.8	Very high	97.2	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.048	20%	0.2	C	C	.	.	S	Bend	trans	-123.1	-160.6	169.7	-86.9	-82	0	0	0	108.4	M267 N270 K271 L272 L291 S292 I296 Y317 N318	M267-N294 PolarHBondContact O-ND2 2.74Å; N270-N294 VanDerWaalsContact CA-OD1 3.3Å; N270-N294 WeakPolarHBondContact CA-OD1 3.41Å; N270-N294 WeakPolarHBondContact CB-OD1 3.33Å; N270-N294 PolarHBondContact O-OD1 3.06Å; K271-N294 PolarHBondContact N-OD1 2.92Å; L272-N294 HydrophobicContact CB-CB 4.14Å; L272-N294 WeakPolarHBondContact CB-OD1 3.35Å; L272-N294 WeakPolarHBondContact CG-OD1 3.47Å; L272-N294 PolarHBondContact N-OD1 2.81Å; L291-N294 PolarHBondContact O-ND2 2.98Å; S292-N294 PolarHBondContact O-ND2 3.35Å; N294-I296 HydrophobicContact CB-CD1 4.32Å; N294-I296 HydrophobicContact CB-CG1 4.23Å; N294-Y317 PolarHBondContact N-O 3.09Å; N294-N318 WeakPolarHBondContact CA-OD1 3.39Å; N294-N318 WeakPolarHBondContact CB-OD1 3.36Å
295	S	98.3	Very high	97.2	Very high	27 Å²	27	40 Å²	40	19%	0.189	20%	0.2	C	C	.	.			trans	-126.9	30.8	176.8	-66.9	0	0	0	0	111.6	L272 T273 T297 N318	L272-S295 CarbonylContact O-C 3.55Å; L272-S295 WeakPolarHBondContact O-CA 3.46Å; L272-S295 PolarHBondContact O-N 2.93Å; T273-S295 WeakPolarHBondContact CA-O 3.38Å; S295-T297 PolarHBondContact O-N 3.4Å; S295-N318 PolarHBondContact N-OD1 2.86Å
296	I	98.3	Very high	97	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.			trans	-63.9	121.4	-177.1	-62.2	164	0	0	0	108.7	L272 T273 L275 L291 N294 L299 L315 N318 R319 I320	L272-I296 HydrophobicContact CB-CG1 4.11Å; L272-I296 PolarHBondContact O-N 3.07Å; L272-I296 VanDerWaalsContact O-N 3.07Å; T273-I296 WeakPolarHBondContact O-CA 3.47Å; L275-I296 HydrophobicContact CD1-CD1 4.06Å; L275-I296 HydrophobicContact CD2-CD1 4.47Å; L275-I296 HydrophobicContact CG-CD1 4.26Å; L291-I296 HydrophobicContact CB-CD1 4.22Å; N294-I296 HydrophobicContact CB-CD1 4.32Å; N294-I296 HydrophobicContact CB-CG1 4.23Å; I296-L299 HydrophobicContact CG2-CD2 4.28Å; I296-L315 HydrophobicContact CD1-CD2 4.12Å; I296-N318 HydrophobicContact CB-CB 4.28Å; I296-N318 VanDerWaalsContact CB-OD1 3.31Å; I296-N318 WeakPolarHBondContact CB-OD1 3.48Å; I296-N318 WeakPolarHBondContact CG1-OD1 3.5Å; I296-N318 PolarHBondContact N-OD1 3.43Å; I296-R319 CarbonylContact O-C 3.16Å; I296-R319 WeakPolarHBondContact O-CA 3.34Å; I296-R319 PolarHBondContact O-N 3.2Å; I296-I320 HydrophobicContact CG2-CG1 4.31Å; I296-I320 PolarHBondContact O-N 3.33Å; I296-I320 VanDerWaalsContact O-N 3.1Å
297	T	96.5	Very high	96.9	Very high	79 Å²	79	39.8 Å²	39.8	49%	0.485	20%	0.197	S	C	.	.			trans	-92.6	-16.4	-174.5	59.8	0	0	0	0	114.2	T273 S295 R319 I320 R321	T273-T297 PolarHBondContact O-N 2.97Å; T273-T297 VanDerWaalsContact O-N 3.13Å; S295-T297 PolarHBondContact O-N 3.4Å; T297-R319 WeakPolarHBondContact CA-O 3.42Å; T297-R319 HydrophobicContact CG2-CB 4.33Å; T297-I320 WeakPolarHBondContact O-CA 3.21Å; T297-R321 PolarHBondContact O-N 2.89Å
298	G	94.9	Very high	96.7	Very high	28 Å²	28	42.6 Å²	42.6	29%	0.289	21%	0.21	S	C	.	.			trans	-175.1	164.4	-178.7	0	0	0	0	0	112.8
299	L	95.9	Very high	96.7	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.089	23%	0.228	C	C	.	.			trans	-118.6	135.8	-179	-59.9	173.5	0	0	0	109.2	L275 I296 F304 L315 I320 I327 F328	L275-L299 HydrophobicContact CD1-CD2 4.08Å; I296-L299 HydrophobicContact CG2-CD2 4.28Å; L299-F304 HydrophobicContact CD1-CE2 4.31Å; L299-F304 HydrophobicContact CD2-CE2 4.21Å; L299-F304 HydrophobicContact CD2-CZ 4.03Å; L299-L315 HydrophobicContact CD1-CD1 3.93Å; L299-I320 HydrophobicContact CD1-CD1 4.08Å; L299-I320 HydrophobicContact CD2-CD1 4.49Å; L299-I320 HydrophobicContact CG-CD1 4.15Å; L299-I327 HydrophobicContact CB-CB 4.3Å; L299-I327 HydrophobicContact CB-CD1 4.21Å; L299-I327 HydrophobicContact CB-CG2 4.49Å; L299-I327 HydrophobicContact CD1-CD1 4.13Å; L299-F328 HydrophobicContact CD1-CE1 3.91Å; L299-F328 HydrophobicContact CD1-CZ 3.97Å
300	R	94.7	Very high	96.6	Very high	154 Å²	154	47.7 Å²	47.7	58%	0.581	23%	0.228	S	C	*	.			trans	-97.8	149	176.4	-64.9	-178.4	-177.7	178.4	1.6	110.2	T303	R300-T303 WeakPolarHBondContact O-CB 3.33Å; R300-T303 PolarHBondContact O-N 2.81Å; R300-T303 PolarHBondContact O-OG1 2.78Å
301	P	95	Very high	96.6	Very high	67 Å²	67	49.5 Å²	49.5	44%	0.435	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	147.9	167.8	-25.7	34.9	0	0	0	111.3	T303 I327	P301-T303 PolarHBondContact O-N 3Å; P301-T303 VanDerWaalsContact O-N 3.17Å; P301-I327 HydrophobicContact CG-CG2 4.47Å
302	R	94.7	Very high	96.6	Very high	128 Å²	128	50.9 Å²	50.9	48%	0.483	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	0.5	179.8	-47	-177.2	-62.9	-159	2.7	116.6	E277 F304 R305	E277-R302 IonicContact OE1-NH2 2.91Å; E277-R302 IonicContact OE2-CZ 3.97Å; E277-R302 IonicContact OE2-NE 2.81Å; E277-R302 PolarHBondContact OE2-NE 2.94Å; E277-R302 IonicContact OE2-NH2 3.84Å; E277-R302 PolarHBondContact OE2-NH2 2.91Å; R302-F304 PolarHBondContact O-N 3.12Å; R302-F304 VanDerWaalsContact O-N 3.13Å; R302-R305 HydrophobicContact CB-CB 4.28Å; R302-R305 VanDerWaalsContact O-CB 3.32Å; R302-R305 WeakPolarHBondContact O-CB 3.49Å; R302-R305 PolarHBondContact O-N 2.99Å
303	T	95.6	Very high	96.6	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.1	175.4	-57.2	0	0	0	0	112.8	L275 F280 R300 P301	L275-T303 HydrophobicContact CB-CG2 3.84Å; L275-T303 HydrophobicContact CD1-CG2 4.24Å; F280-T303 HydrophobicContact CD2-CG2 4.44Å; F280-T303 HydrophobicContact CE2-CG2 4.45Å; R300-T303 WeakPolarHBondContact O-CB 3.33Å; R300-T303 PolarHBondContact O-N 2.81Å; R300-T303 PolarHBondContact O-OG1 2.78Å; P301-T303 PolarHBondContact O-N 3Å; P301-T303 VanDerWaalsContact O-N 3.17Å
304	F	96.3	Very high	96.6	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	15.4	-177.5	-51.2	-64.7	0	0	0	113.8	L275 F280 L289 L299 R302 D306 L307 L313 L315 F328 L331	L275-F304 HydrophobicContact CD1-CZ 4.39Å; F280-F304 HydrophobicContact CD2-CD1 4.13Å; F280-F304 HydrophobicContact CD2-CE1 4.21Å; F280-F304 HydrophobicContact CE2-CD1 4.33Å; F280-F304 AromaticContact CE2-CE1 3.93Å; F280-F304 HydrophobicContact CE2-CE1 3.93Å; L289-F304 HydrophobicContact CD2-CD1 4.3Å; L289-F304 HydrophobicContact CD2-CE1 4.07Å; L299-F304 HydrophobicContact CD1-CE2 4.31Å; L299-F304 HydrophobicContact CD2-CE2 4.21Å; L299-F304 HydrophobicContact CD2-CZ 4.03Å; R302-F304 PolarHBondContact O-N 3.12Å; R302-F304 VanDerWaalsContact O-N 3.13Å; F304-D306 PolarHBondContact O-N 3.03Å; F304-L307 HydrophobicContact CB-CD1 4.06Å; F304-L307 HydrophobicContact CB-CG 4.4Å; F304-L307 HydrophobicContact CD1-CD1 3.74Å; F304-L307 HydrophobicContact CG-CD1 4.36Å; F304-L307 WeakPolarHBondContact O-CB 3.34Å; F304-L307 PolarHBondContact O-N 2.9Å; F304-L313 HydrophobicContact CD2-CD2 4.46Å; F304-L313 HydrophobicContact CE1-CD1 4.35Å; F304-L313 HydrophobicContact CE1-CD2 4.43Å; F304-L313 HydrophobicContact CE2-CD2 4.15Å; F304-L313 HydrophobicContact CZ-CD2 4.13Å; F304-L315 HydrophobicContact CZ-CD1 4.43Å; F304-F328 HydrophobicContact CD2-CD1 4.38Å; F304-F328 HydrophobicContact CE2-CD1 4.37Å; F304-F328 HydrophobicContact CE2-CE1 4.38Å; F304-L331 HydrophobicContact CB-CD1 4.08Å; F304-L331 HydrophobicContact CB-CD2 3.86Å; F304-L331 HydrophobicContact CB-CG 4.04Å; F304-L331 HydrophobicContact CD2-CD1 4.27Å; F304-L331 HydrophobicContact CG-CD1 4.31Å
305	R	94	Very high	96.6	Very high	96 Å²	96	49.7 Å²	49.7	36%	0.362	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-40	-171.6	168.9	-177.7	65.1	-149.3	-8.6	114.9	D278 R302	D278-R305 IonicContact OD1-NH2 2.81Å; R302-R305 HydrophobicContact CB-CB 4.28Å; R302-R305 VanDerWaalsContact O-CB 3.32Å; R302-R305 WeakPolarHBondContact O-CB 3.49Å; R302-R305 PolarHBondContact O-N 2.99Å
306	D	93.9	Very high	96.7	Very high	38 Å²	38	48.6 Å²	48.6	20%	0.203	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-4.4	-172	-64.4	3	0	0	0	112.7	L281 G282 F304 Q308	L281-D306 WeakPolarHBondContact CD1-OD2 3.47Å; G282-D306 PolarHBondContact N-OD2 2.99Å; F304-D306 PolarHBondContact O-N 3.03Å; D306-Q308 PolarHBondContact O-N 3.02Å
307	L	96.7	Very high	96.7	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	24%	0.243	C	C	.	.			trans	-86.1	51.6	-173.3	-53.4	-172.5	0	0	0	111.9	F280 L283 L286 L289 F304 Y309 L310 L331	F280-L307 HydrophobicContact CB-CD1 4.38Å; F280-L307 HydrophobicContact CB-CD2 4.1Å; L283-L307 HydrophobicContact CB-CD2 3.67Å; L283-L307 WeakPolarHBondContact O-CD2 3.33Å; L286-L307 HydrophobicContact CB-CD2 4.21Å; L286-L307 HydrophobicContact CD2-CD1 4.37Å; L286-L307 HydrophobicContact CD2-CD2 4Å; L289-L307 HydrophobicContact CD2-CD1 3.86Å; F304-L307 HydrophobicContact CB-CD1 4.06Å; F304-L307 HydrophobicContact CB-CG 4.4Å; F304-L307 HydrophobicContact CD1-CD1 3.74Å; F304-L307 HydrophobicContact CG-CD1 4.36Å; F304-L307 WeakPolarHBondContact O-CB 3.34Å; F304-L307 PolarHBondContact O-N 2.9Å; L307-Y309 VanDerWaalsContact C-N 3.27Å; L307-Y309 PolarHBondContact O-N 2.84Å; L307-L310 HydrophobicContact CB-CB 4.03Å; L307-L310 HydrophobicContact CB-CD2 4.33Å; L307-L310 HydrophobicContact CD1-CD2 4Å; L307-L310 VanDerWaalsContact O-CB 3.28Å; L307-L310 WeakPolarHBondContact O-CB 3.27Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-L310 VanDerWaalsContact O-N 3.13Å; L307-L331 HydrophobicContact CB-CD2 3.78Å; L307-L331 WeakPolarHBondContact O-CD2 3.22Å
308	Q	94.6	Very high	96.8	Very high	110 Å²	110	49.8 Å²	49.8	51%	0.514	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.2	-168.4	-63.3	176	17.6	0	0	113.6	D306 H333	D306-Q308 PolarHBondContact O-N 3.02Å; Q308-H333 WeakPolarHBondContact O-CB 3.1Å; Q308-H333 PolarHBondContact O-CD2 3.03Å
309	Y	97.3	Very high	96.9	Very high	120 Å²	120	54.7 Å²	54.7	47%	0.471	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	12.6	179.8	-64.6	-84.1	0	0	0	113.3	S284 L286 L307 E311	S284-Y309 WeakPolarHBondContact O-CD2 3.31Å; L286-Y309 CarbonylContact O-C 3.32Å; L286-Y309 VanDerWaalsContact O-C 3.22Å; L307-Y309 VanDerWaalsContact C-N 3.27Å; L307-Y309 PolarHBondContact O-N 2.84Å; Y309-E311 PolarHBondContact O-N 2.98Å
310	L	98.6	Very high	97	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	23%	0.227	C	C	.	.			trans	-66.9	126.2	179.4	-164	73.3	0	0	0	109.4	L286 L289 L307 L313 L331 H333 L334	L286-L310 HydrophobicContact CB-CD1 4.36Å; L286-L310 HydrophobicContact CD2-CD1 4.02Å; L286-L310 HydrophobicContact CG-CD1 4.03Å; L286-L310 WeakPolarHBondContact O-CA 3.36Å; L286-L310 PolarHBondContact O-N 3.18Å; L286-L310 VanDerWaalsContact O-N 3.14Å; L289-L310 HydrophobicContact CB-CD1 3.8Å; L289-L310 HydrophobicContact CB-CD2 4.36Å; L307-L310 HydrophobicContact CB-CB 4.03Å; L307-L310 HydrophobicContact CB-CD2 4.33Å; L307-L310 HydrophobicContact CD1-CD2 4Å; L307-L310 VanDerWaalsContact O-CB 3.28Å; L307-L310 WeakPolarHBondContact O-CB 3.27Å; L307-L310 PolarHBondContact O-N 2.85Å; L307-L310 VanDerWaalsContact O-N 3.13Å; L310-L313 HydrophobicContact CD2-CB 3.93Å; L310-L313 HydrophobicContact CD2-CD1 4.4Å; L310-L331 HydrophobicContact CB-CD2 4.01Å; L310-L331 HydrophobicContact CD2-CD2 3.78Å; L310-H333 CarbonylContact O-C 3.56Å; L310-L334 HydrophobicContact CB-CD1 4.35Å; L310-L334 HydrophobicContact CD2-CD1 3.99Å; L310-L334 HydrophobicContact CG-CD1 3.99Å; L310-L334 WeakPolarHBondContact O-CA 3.45Å; L310-L334 PolarHBondContact O-N 3.18Å
311	E	98.7	Very high	97	Very high	81 Å²	81	54 Å²	54	38%	0.379	23%	0.227	S	C	.	.			trans	-103.7	-37.5	179.8	-70.8	164.9	-166	0	0	110.7	H287 Y309 E335 V336	H287-E311 IonicContact CE1-OE1 3.72Å; H287-E311 PolarHBondContact CE1-OE1 3.18Å; H287-E311 IonicContact CG-OE1 3.5Å; H287-E311 VanDerWaalsContact ND1-CD 3.27Å; H287-E311 IonicContact ND1-OE1 3.75Å; H287-E311 PolarHBondContact ND1-OE1 3.44Å; H287-E311 IonicContact ND1-OE2 2.95Å; H287-E311 PolarHBondContact O-N 3.32Å; Y309-E311 PolarHBondContact O-N 2.98Å; E311-E335 PolarHBondContact O-N 2.98Å; E311-V336 PolarHBondContact O-N 3.39Å
312	E	98.8	Very high	97.1	Very high	28 Å²	28	52.7 Å²	52.7	13%	0.131	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.8	-178.8	-173.4	-174.6	104.7	0	0	111.3	H287 V288 L289 R290 R314 V336	H287-E312 PolarHBondContact O-N 2.95Å; V288-E312 HydrophobicContact CG1-CB 4.32Å; V288-E312 HydrophobicContact CG2-CB 4.17Å; L289-E312 PolarHBondContact N-O 3.26Å; R290-E312 IonicContact CZ-OE1 3.58Å; R290-E312 IonicContact NE-OE1 3.58Å; R290-E312 PolarHBondContact NE-OE1 3.41Å; R290-E312 IonicContact NH2-OE1 3.15Å; R290-E312 PolarHBondContact NH2-OE1 3.08Å; R290-E312 IonicContact NH2-OE2 2.79Å; E312-R314 HydrophobicContact CG-CG 3.92Å; E312-R314 WeakPolarHBondContact OE1-CD 3.22Å; E312-R314 IonicContact OE1-CZ 2.92Å; E312-R314 IonicContact OE1-NE 3.93Å; E312-R314 PolarHBondContact OE1-NE 3.22Å; E312-R314 IonicContact OE1-NH2 2.62Å; E312-R314 IonicContact OE2-CZ 2.69Å; E312-R314 IonicContact OE2-NE 3.47Å; E312-R314 PolarHBondContact OE2-NE 3.48Å; E312-R314 IonicContact OE2-NH2 2.63Å; E312-R314 PolarHBondContact OE2-NH2 2.86Å; E312-V336 HydrophobicContact CG-CB 4.4Å
313	L	98.9	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	109.7	170.4	178.6	55.4	0	0	0	109.8	L289 F304 L310 L315 F328 L331 L334 V336 L337 E338	L289-L313 HydrophobicContact CB-CD1 4.13Å; L289-L313 HydrophobicContact CD2-CD1 3.93Å; L289-L313 HydrophobicContact CG-CD1 3.99Å; F304-L313 HydrophobicContact CD2-CD2 4.46Å; F304-L313 HydrophobicContact CE1-CD1 4.35Å; F304-L313 HydrophobicContact CE1-CD2 4.43Å; F304-L313 HydrophobicContact CE2-CD2 4.15Å; F304-L313 HydrophobicContact CZ-CD2 4.13Å; L310-L313 HydrophobicContact CD2-CB 3.93Å; L310-L313 HydrophobicContact CD2-CD1 4.4Å; L313-L315 HydrophobicContact CD1-CD1 4.13Å; L313-L315 HydrophobicContact CD1-CG 4.12Å; L313-L315 HydrophobicContact CD2-CD1 3.9Å; L313-L315 HydrophobicContact CG-CD1 3.89Å; L313-L315 HydrophobicContact CG-CG 4.22Å; L313-F328 HydrophobicContact CD2-CD1 4.28Å; L313-F328 HydrophobicContact CD2-CE1 4.18Å; L313-L331 HydrophobicContact CD2-CD1 3.89Å; L313-L334 HydrophobicContact CB-CD1 3.77Å; L313-L334 HydrophobicContact CB-CD2 4.36Å; L313-V336 PolarHBondContact N-O 3.28Å; L313-L337 HydrophobicContact CB-CD1 4.2Å; L313-L337 HydrophobicContact CD2-CD1 3.95Å; L313-L337 HydrophobicContact CG-CD1 4.07Å; L313-E338 PolarHBondContact O-N 2.89Å
314	R	98.9	Very high	97.2	Very high	66 Å²	66	47.6 Å²	47.6	25%	0.249	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	117.5	176	-54.1	-168.1	-178.9	-115.9	-8.2	111.8	L289 R290 L291 S292 E312 E338	L289-R314 PolarHBondContact O-N 3.39Å; R290-R314 HydrophobicContact CG-CB 4.34Å; R290-R314 HydrophobicContact CG-CG 4.24Å; L291-R314 CarbonylContact C-O 3.58Å; L291-R314 WeakPolarHBondContact CA-O 3.12Å; L291-R314 PolarHBondContact N-O 2.89Å; S292-R314 PolarHBondContact N-O 3.35Å; S292-R314 WeakPolarHBondContact OG-CB 3.4Å; E312-R314 HydrophobicContact CG-CG 3.92Å; E312-R314 WeakPolarHBondContact OE1-CD 3.22Å; E312-R314 IonicContact OE1-CZ 2.92Å; E312-R314 IonicContact OE1-NE 3.93Å; E312-R314 PolarHBondContact OE1-NE 3.22Å; E312-R314 IonicContact OE1-NH2 2.62Å; E312-R314 IonicContact OE2-CZ 2.69Å; E312-R314 IonicContact OE2-NE 3.47Å; E312-R314 PolarHBondContact OE2-NE 3.48Å; E312-R314 IonicContact OE2-NH2 2.63Å; E312-R314 PolarHBondContact OE2-NH2 2.86Å; R314-E338 HydrophobicContact CB-CB 4.5Å; R314-E338 WeakPolarHBondContact CD-OE2 3.43Å; R314-E338 HydrophobicContact CG-CB 4.45Å; R314-E338 VanDerWaalsContact CG-OE2 3.31Å; R314-E338 WeakPolarHBondContact CG-OE2 3.17Å; R314-E338 IonicContact CZ-OE1 2.73Å; R314-E338 IonicContact CZ-OE2 3.85Å; R314-E338 VanDerWaalsContact CZ-OE2 3.29Å; R314-E338 IonicContact NE-OE2 3.97Å; R314-E338 PolarHBondContact NE-OE2 3.07Å; R314-E338 IonicContact NH1-OE1 3.6Å; R314-E338 PolarHBondContact NH1-OE1 3.43Å; R314-E338 IonicContact NH1-OE2 2.93Å; R314-E338 PolarHBondContact NH1-OE2 3.02Å; R314-E338 IonicContact NH2-OE1 3.48Å
315	L	98.8	Very high	97.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	23%	0.231	C	C	.	.			trans	-125.6	13.3	179.1	-75	161.9	0	0	0	111.9	L291 I296 L299 F304 L313 N318 I320 E338 L339 N342	L291-L315 HydrophobicContact CB-CD2 3.86Å; L291-L315 HydrophobicContact CD1-CD2 3.89Å; I296-L315 HydrophobicContact CD1-CD2 4.12Å; L299-L315 HydrophobicContact CD1-CD1 3.93Å; F304-L315 HydrophobicContact CZ-CD1 4.43Å; L313-L315 HydrophobicContact CD1-CD1 4.13Å; L313-L315 HydrophobicContact CD1-CG 4.12Å; L313-L315 HydrophobicContact CD2-CD1 3.9Å; L313-L315 HydrophobicContact CG-CD1 3.89Å; L313-L315 HydrophobicContact CG-CG 4.22Å; L315-N318 WeakPolarHBondContact O-CB 3.21Å; L315-N318 PolarHBondContact O-ND2 3.48Å; L315-I320 HydrophobicContact CB-CD1 4.35Å; L315-E338 CarbonylContact C-O 3.48Å; L315-E338 WeakPolarHBondContact CA-O 3.14Å; L315-E338 WeakPolarHBondContact CB-O 3.28Å; L315-E338 PolarHBondContact N-O 3.03Å; L315-L339 HydrophobicContact CB-CD2 3.77Å; L315-L339 HydrophobicContact CD1-CD2 3.91Å; L315-N342 PolarHBondContact O-ND2 3.32Å
316	S	98.7	Very high	97.2	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.028	24%	0.236	C	C	.	.			trans	-54.9	152.5	179.5	-38.5	0	0	0	0	113	S292 N293 N318 E338 D340	S292-S316 CarbonylContact C-O 3.39Å; S292-S316 WeakPolarHBondContact CA-O 3.32Å; S292-S316 WeakPolarHBondContact CB-O 3.4Å; N293-S316 PolarHBondContact N-O 2.99Å; S316-N318 VanDerWaalsContact C-N 3.32Å; S316-N318 PolarHBondContact O-N 2.6Å; S316-N318 PolarHBondContact O-ND2 2.94Å; S316-E338 PolarHBondContact N-O 3.22Å; S316-E338 WeakPolarHBondContact OG-CB 3.41Å; S316-D340 CarbonylContact C-O 3.05Å; S316-D340 WeakPolarHBondContact CA-O 3.06Å; S316-D340 WeakPolarHBondContact CB-OD1 3.31Å; S316-D340 WeakPolarHBondContact CB-OD2 3.43Å; S316-D340 PolarHBondContact OG-OD1 3.07Å
317	Y	98.4	Very high	97.3	Very high	97 Å²	97	51.5 Å²	51.5	38%	0.38	23%	0.226	S	C	.	.	S	Bend	trans	53.3	49.1	176.9	-60.5	-89.1	0	0	0	112.5	N293 N294 D340 Y341	N293-Y317 VanDerWaalsContact CA-O 3.27Å; N293-Y317 WeakPolarHBondContact CA-O 3.46Å; N293-Y317 PolarHBondContact N-O 3.12Å; N293-Y317 WeakPolarHBondContact OD1-CB 3.32Å; N294-Y317 PolarHBondContact N-O 3.09Å; Y317-D340 PolarHBondContact N-O 2.91Å; Y317-Y341 WeakPolarHBondContact CA-O 3.44Å; Y317-Y341 HydrophobicContact CD1-CD2 4.38Å; Y317-Y341 HydrophobicContact CD1-CG 4.13Å; Y317-Y341 HydrophobicContact CD2-CD2 4.41Å; Y317-Y341 HydrophobicContact CE1-CD1 4.3Å; Y317-Y341 AromaticContact CE1-CD2 3.66Å; Y317-Y341 HydrophobicContact CE1-CD2 3.66Å; Y317-Y341 HydrophobicContact CE1-CE2 4.34Å; Y317-Y341 AromaticContact CE1-CG 3.62Å; Y317-Y341 HydrophobicContact CE1-CG 3.62Å; Y317-Y341 AromaticContact CE2-CD2 3.67Å; Y317-Y341 HydrophobicContact CE2-CD2 3.67Å; Y317-Y341 HydrophobicContact CE2-CE2 4.31Å; Y317-Y341 HydrophobicContact CE2-CG 4.36Å; Y317-Y341 AromaticContact CZ-CD2 3.25Å; Y317-Y341 AromaticContact CZ-CE2 3.72Å; Y317-Y341 AromaticContact CZ-CG 3.75Å; Y317-Y341 VanDerWaalsContact OH-CD2 3.29Å; Y317-Y341 WeakPolarHBondContact OH-CD2 3.26Å; Y317-Y341 WeakPolarHBondContact OH-CE2 3.4Å
318	N	98.7	Very high	97.3	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.037	23%	0.226	C	C	.	.	S	Bend	trans	-113.9	-163.4	169.5	-87.4	-78.8	0	0	0	109.5	L291 N294 S295 I296 L315 S316 I320 N342	L291-N318 PolarHBondContact O-ND2 2.7Å; N294-N318 WeakPolarHBondContact CA-OD1 3.39Å; N294-N318 WeakPolarHBondContact CB-OD1 3.36Å; S295-N318 PolarHBondContact N-OD1 2.86Å; I296-N318 HydrophobicContact CB-CB 4.28Å; I296-N318 VanDerWaalsContact CB-OD1 3.31Å; I296-N318 WeakPolarHBondContact CB-OD1 3.48Å; I296-N318 WeakPolarHBondContact CG1-OD1 3.5Å; I296-N318 PolarHBondContact N-OD1 3.43Å; L315-N318 WeakPolarHBondContact O-CB 3.21Å; L315-N318 PolarHBondContact O-ND2 3.48Å; S316-N318 VanDerWaalsContact C-N 3.32Å; S316-N318 PolarHBondContact O-N 2.6Å; S316-N318 PolarHBondContact O-ND2 2.94Å; N318-I320 HydrophobicContact CB-CD1 4.5Å; N318-I320 HydrophobicContact CB-CG1 4.33Å; N318-N342 VanDerWaalsContact CA-OD1 3.31Å; N318-N342 WeakPolarHBondContact CA-OD1 3.48Å; N318-N342 WeakPolarHBondContact CB-OD1 3.45Å; N318-N342 PolarHBondContact O-OD1 3.03Å
319	R	97.7	Very high	97.4	Very high	132 Å²	132	50.5 Å²	50.5	50%	0.498	22%	0.221	S	C	.	.			trans	-122.3	29	-178.6	-59.5	-179.4	-175.1	-174.9	0.1	111.4	I296 T297 R321 N342	I296-R319 CarbonylContact O-C 3.16Å; I296-R319 WeakPolarHBondContact O-CA 3.34Å; I296-R319 PolarHBondContact O-N 3.2Å; T297-R319 WeakPolarHBondContact CA-O 3.42Å; T297-R319 HydrophobicContact CG2-CB 4.33Å; R319-R321 PolarHBondContact O-N 3.42Å; R319-N342 PolarHBondContact N-OD1 3.34Å
320	I	97.7	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.214	C	C	.	.			trans	-66	123.9	-177.8	-60.7	168.6	0	0	0	108.2	I296 T297 L299 L315 N318 L323 L339 N342 Q343 V344	I296-I320 HydrophobicContact CG2-CG1 4.31Å; I296-I320 PolarHBondContact O-N 3.33Å; I296-I320 VanDerWaalsContact O-N 3.1Å; T297-I320 WeakPolarHBondContact O-CA 3.21Å; L299-I320 HydrophobicContact CD1-CD1 4.08Å; L299-I320 HydrophobicContact CD2-CD1 4.49Å; L299-I320 HydrophobicContact CG-CD1 4.15Å; L315-I320 HydrophobicContact CB-CD1 4.35Å; N318-I320 HydrophobicContact CB-CD1 4.5Å; N318-I320 HydrophobicContact CB-CG1 4.33Å; I320-L323 HydrophobicContact CG2-CD2 4.28Å; I320-L339 HydrophobicContact CD1-CD2 3.93Å; I320-N342 HydrophobicContact CB-CB 4.24Å; I320-N342 VanDerWaalsContact CB-OD1 3.31Å; I320-N342 WeakPolarHBondContact CB-OD1 3.35Å; I320-N342 WeakPolarHBondContact CG1-OD1 3.4Å; I320-N342 PolarHBondContact N-OD1 2.96Å; I320-Q343 CarbonylContact O-C 3.52Å; I320-Q343 WeakPolarHBondContact O-CA 3.38Å; I320-Q343 PolarHBondContact O-N 2.96Å; I320-V344 HydrophobicContact CG2-CG2 4.32Å; I320-V344 WeakPolarHBondContact O-CG2 3.31Å; I320-V344 PolarHBondContact O-N 2.96Å; I320-V344 VanDerWaalsContact O-N 3.07Å
321	R	95.6	Very high	97	Very high	155 Å²	155	46.2 Å²	46.2	59%	0.585	21%	0.214	S	C	*	.			trans	-100	-27.8	-176.2	-66.8	-176.1	179.7	177.7	-0.9	115	T297 R319 Q343 V344 Q345	T297-R321 PolarHBondContact O-N 2.89Å; R319-R321 PolarHBondContact O-N 3.42Å; R321-Q343 WeakPolarHBondContact CA-O 3.28Å; R321-Q343 HydrophobicContact CG-CB 4.15Å; R321-V344 WeakPolarHBondContact O-CA 3.17Å; R321-Q345 PolarHBondContact O-N 2.95Å
322	A	96.1	Very high	96.8	Very high	41 Å²	41	43.3 Å²	43.3	34%	0.339	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.6	-177.4	0	0	0	0	0	111.2	E346	A322-E346 CarbonylContact C-O 3.5Å; A322-E346 VanDerWaalsContact CA-O 3.25Å; A322-E346 WeakPolarHBondContact CA-O 3.46Å; A322-E346 HydrophobicContact CB-CB 4.46Å
323	L	97	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	106.3	169.8	-54.1	179.2	0	0	0	108.5	I320 I327 L339 V344 E346 A347 H348 S351 F352 L363	I320-L323 HydrophobicContact CG2-CD2 4.28Å; L323-I327 HydrophobicContact CB-CD1 4.15Å; L323-I327 HydrophobicContact CD2-CD1 4.04Å; L323-L339 HydrophobicContact CD2-CD1 4.39Å; L323-V344 HydrophobicContact CD1-CG1 4.25Å; L323-V344 HydrophobicContact CD2-CG2 4.49Å; L323-V344 HydrophobicContact CG-CG1 3.86Å; L323-E346 PolarHBondContact N-O 2.95Å; L323-A347 HydrophobicContact CB-CB 3.96Å; L323-A347 HydrophobicContact CD1-CB 4.3Å; L323-A347 HydrophobicContact CG-CB 4.45Å; L323-A347 CarbonylContact O-C 3.06Å; L323-A347 WeakPolarHBondContact O-CA 3.46Å; L323-H348 PolarHBondContact O-CD2 2.82Å; L323-H348 PolarHBondContact O-N 2.87Å; L323-S351 PolarHBondContact O-OG 3.46Å; L323-F352 HydrophobicContact CD1-CE1 4.3Å; L323-F352 HydrophobicContact CD1-CE2 4.35Å; L323-F352 HydrophobicContact CD1-CZ 3.65Å; L323-L363 HydrophobicContact CD1-CD2 4.15Å
324	G	95.9	Very high	96.7	Very high	22 Å²	22	46.6 Å²	46.6	23%	0.227	22%	0.221	C	C	.	.			trans	-79.7	168.7	177.6	0	0	0	0	0	112.7	I327 S351	G324-I327 WeakPolarHBondContact O-CG1 3.41Å; G324-I327 WeakPolarHBondContact O-CG2 3.41Å; G324-S351 WeakPolarHBondContact O-CA 3.17Å; G324-S351 PolarHBondContact O-OG 2.94Å
325	E	95.2	Very high	96.7	Very high	97 Å²	97	48.5 Å²	48.5	45%	0.453	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	137.7	177.2	-62.6	-175.3	-169.8	0	0	112.5	I327 H348	E325-I327 PolarHBondContact O-N 3.28Å; E325-H348 HydrophobicContact CG-CB 3.62Å
326	R	95.3	Very high	96.7	Very high	120 Å²	120	50.2 Å²	50.2	45%	0.453	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	24.4	171.6	-57.8	-176.9	179.3	84.2	-0.5	115.1	F328 E329 G350 T353	R326-F328 PolarHBondContact O-N 3.08Å; R326-E329 HydrophobicContact CB-CB 4.1Å; R326-E329 VanDerWaalsContact O-CB 3.3Å; R326-E329 WeakPolarHBondContact O-CB 3.44Å; R326-E329 PolarHBondContact O-N 2.8Å; R326-G350 PolarHBondContact N-O 2.87Å; R326-T353 HydrophobicContact CG-CG2 4.34Å
327	I	96.8	Very high	96.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.9	179.3	59.1	174.5	0	0	0	113.3	L299 P301 L323 G324 E325	L299-I327 HydrophobicContact CB-CB 4.3Å; L299-I327 HydrophobicContact CB-CD1 4.21Å; L299-I327 HydrophobicContact CB-CG2 4.49Å; L299-I327 HydrophobicContact CD1-CD1 4.13Å; P301-I327 HydrophobicContact CG-CG2 4.47Å; L323-I327 HydrophobicContact CB-CD1 4.15Å; L323-I327 HydrophobicContact CD2-CD1 4.04Å; G324-I327 WeakPolarHBondContact O-CG1 3.41Å; G324-I327 WeakPolarHBondContact O-CG2 3.41Å; E325-I327 PolarHBondContact O-N 3.28Å
328	F	96.8	Very high	96.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	13.2	176.5	-57.5	-62.2	0	0	0	113.3	L299 F304 L313 R326 G330 L331 L337 L339 S351 F352 L355	L299-F328 HydrophobicContact CD1-CE1 3.91Å; L299-F328 HydrophobicContact CD1-CZ 3.97Å; F304-F328 HydrophobicContact CD2-CD1 4.38Å; F304-F328 HydrophobicContact CE2-CD1 4.37Å; F304-F328 HydrophobicContact CE2-CE1 4.38Å; L313-F328 HydrophobicContact CD2-CD1 4.28Å; L313-F328 HydrophobicContact CD2-CE1 4.18Å; R326-F328 PolarHBondContact O-N 3.08Å; F328-G330 PolarHBondContact O-N 3.39Å; F328-L331 HydrophobicContact CB-CD1 4.16Å; F328-L331 HydrophobicContact CD1-CD1 4.03Å; F328-L331 WeakPolarHBondContact O-CB 3.2Å; F328-L331 PolarHBondContact O-N 3.37Å; F328-L337 HydrophobicContact CD2-CD2 4.3Å; F328-L337 HydrophobicContact CE1-CD1 3.99Å; F328-L337 HydrophobicContact CE1-CD2 4.26Å; F328-L337 HydrophobicContact CE2-CD2 4Å; F328-L337 HydrophobicContact CZ-CD1 4.26Å; F328-L337 HydrophobicContact CZ-CD2 3.99Å; F328-L339 HydrophobicContact CE2-CD1 4.43Å; F328-L339 HydrophobicContact CZ-CD1 3.95Å; F328-S351 WeakPolarHBondContact CD2-O 3.34Å; F328-F352 AromaticContact CD2-CD1 3.99Å; F328-F352 HydrophobicContact CD2-CD1 3.99Å; F328-F352 HydrophobicContact CD2-CE1 4.4Å; F328-F352 HydrophobicContact CE2-CD1 4.06Å; F328-F352 AromaticContact CE2-CE1 4Å; F328-F352 HydrophobicContact CE2-CE1 4Å; F328-L355 HydrophobicContact CB-CD1 4.23Å; F328-L355 HydrophobicContact CB-CD2 3.85Å; F328-L355 HydrophobicContact CB-CG 3.97Å; F328-L355 HydrophobicContact CD2-CD1 4.3Å; F328-L355 HydrophobicContact CG-CD1 4.37Å
329	E	94.9	Very high	96.7	Very high	89 Å²	89	46.7 Å²	46.7	42%	0.416	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	134.8	178.9	-174.2	171.1	-150.3	0	0	111.2	R326	R326-E329 HydrophobicContact CB-CB 4.1Å; R326-E329 VanDerWaalsContact O-CB 3.3Å; R326-E329 WeakPolarHBondContact O-CB 3.44Å; R326-E329 PolarHBondContact O-N 2.8Å
330	G	91.8	Very high	96.8	Very high	31 Å²	31	41.1 Å²	41.1	32%	0.32	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.4	-14.8	-174.7	0	0	0	0	0	114.6	F328 G332	F328-G330 PolarHBondContact O-N 3.39Å; G330-G332 PolarHBondContact O-N 2.97Å
331	L	96.9	Very high	96.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.223	C	C	.	.			trans	-85.1	53.3	-179.3	-62.2	-175.3	0	0	0	112.8	F304 L307 L310 L313 F328 H333 L334 L355	F304-L331 HydrophobicContact CB-CD1 4.08Å; F304-L331 HydrophobicContact CB-CD2 3.86Å; F304-L331 HydrophobicContact CB-CG 4.04Å; F304-L331 HydrophobicContact CD2-CD1 4.27Å; F304-L331 HydrophobicContact CG-CD1 4.31Å; L307-L331 HydrophobicContact CB-CD2 3.78Å; L307-L331 WeakPolarHBondContact O-CD2 3.22Å; L310-L331 HydrophobicContact CB-CD2 4.01Å; L310-L331 HydrophobicContact CD2-CD2 3.78Å; L313-L331 HydrophobicContact CD2-CD1 3.89Å; F328-L331 HydrophobicContact CB-CD1 4.16Å; F328-L331 HydrophobicContact CD1-CD1 4.03Å; F328-L331 WeakPolarHBondContact O-CB 3.2Å; F328-L331 PolarHBondContact O-N 3.37Å; L331-H333 VanDerWaalsContact C-N 3.32Å; L331-H333 PolarHBondContact O-N 3.05Å; L331-L334 HydrophobicContact CB-CB 4.07Å; L331-L334 HydrophobicContact CB-CD2 4.44Å; L331-L334 HydrophobicContact CD1-CD2 4.11Å; L331-L334 WeakPolarHBondContact O-CB 3.46Å; L331-L334 PolarHBondContact O-N 2.98Å; L331-L355 HydrophobicContact CB-CD2 3.68Å; L331-L355 HydrophobicContact CD1-CD2 4.48Å
332	G	95.1	Very high	96.8	Very high	19 Å²	19	37.8 Å²	37.8	20%	0.196	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-29	-172.5	0	0	0	0	0	115.1	G330 G354 S356 H357	G330-G332 PolarHBondContact O-N 2.97Å; G332-G354 WeakPolarHBondContact CA-O 3.29Å; G332-S356 PolarHBondContact O-OG 2.97Å; G332-H357 WeakPolarHBondContact O-CB 3.3Å; G332-H357 PolarHBondContact O-ND1 2.9Å
333	H	97.1	Very high	96.8	Very high	97 Å²	97	39.7 Å²	39.7	45%	0.449	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	2.7	180	-75.9	-81.4	0	0	0	114.2	Q308 L310 L331 E335	Q308-H333 WeakPolarHBondContact O-CB 3.1Å; Q308-H333 PolarHBondContact O-CD2 3.03Å; L310-H333 CarbonylContact O-C 3.56Å; L331-H333 VanDerWaalsContact C-N 3.32Å; L331-H333 PolarHBondContact O-N 3.05Å; H333-E335 PolarHBondContact O-N 2.76Å
334	L	98.3	Very high	96.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.2	C	C	.	.			trans	-63.4	129.1	-177.9	-166.4	75.8	0	0	0	110.2	L310 L313 L331 L337 L355 H357 V358	L310-L334 HydrophobicContact CB-CD1 4.35Å; L310-L334 HydrophobicContact CD2-CD1 3.99Å; L310-L334 HydrophobicContact CG-CD1 3.99Å; L310-L334 WeakPolarHBondContact O-CA 3.45Å; L310-L334 PolarHBondContact O-N 3.18Å; L313-L334 HydrophobicContact CB-CD1 3.77Å; L313-L334 HydrophobicContact CB-CD2 4.36Å; L331-L334 HydrophobicContact CB-CB 4.07Å; L331-L334 HydrophobicContact CB-CD2 4.44Å; L331-L334 HydrophobicContact CD1-CD2 4.11Å; L331-L334 WeakPolarHBondContact O-CB 3.46Å; L331-L334 PolarHBondContact O-N 2.98Å; L334-L337 HydrophobicContact CD2-CB 3.92Å; L334-L337 HydrophobicContact CD2-CD1 4.36Å; L334-L355 HydrophobicContact CB-CD2 4.11Å; L334-L355 HydrophobicContact CD2-CD2 3.65Å; L334-H357 CarbonylContact O-C 3.42Å; L334-V358 WeakPolarHBondContact O-CA 3.35Å; L334-V358 PolarHBondContact O-N 3.2Å
335	E	98.3	Very high	96.7	Very high	106 Å²	106	44.1 Å²	44.1	50%	0.495	22%	0.215	S	C	.	.			trans	-105	-38.6	178.2	-61.3	-169.7	170.5	0	0	110.9	E311 H333 A359 V360	E311-E335 PolarHBondContact O-N 2.98Å; H333-E335 PolarHBondContact O-N 2.76Å; E335-A359 PolarHBondContact O-N 3.08Å; E335-V360 PolarHBondContact O-N 3.19Å
336	V	98.8	Very high	96.6	Very high	36 Å²	36	45.7 Å²	45.7	22%	0.218	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.8	-174.9	-178.6	0	0	0	0	110.7	E311 E312 L313 E338	E311-V336 PolarHBondContact O-N 3.39Å; E312-V336 HydrophobicContact CG-CB 4.4Å; L313-V336 PolarHBondContact N-O 3.28Å; V336-E338 HydrophobicContact CG1-CG 3.99Å
337	L	98.8	Very high	96.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	109.8	171.8	178	58.2	0	0	0	110	L313 F328 L334 L339 F352 L355 V358 V360 I361 N362	L313-L337 HydrophobicContact CB-CD1 4.2Å; L313-L337 HydrophobicContact CD2-CD1 3.95Å; L313-L337 HydrophobicContact CG-CD1 4.07Å; F328-L337 HydrophobicContact CD2-CD2 4.3Å; F328-L337 HydrophobicContact CE1-CD1 3.99Å; F328-L337 HydrophobicContact CE1-CD2 4.26Å; F328-L337 HydrophobicContact CE2-CD2 4Å; F328-L337 HydrophobicContact CZ-CD1 4.26Å; F328-L337 HydrophobicContact CZ-CD2 3.99Å; L334-L337 HydrophobicContact CD2-CB 3.92Å; L334-L337 HydrophobicContact CD2-CD1 4.36Å; L337-L339 HydrophobicContact CD1-CD1 4.14Å; L337-L339 HydrophobicContact CD1-CG 4.13Å; L337-L339 HydrophobicContact CD2-CD1 3.91Å; L337-L339 HydrophobicContact CG-CD1 3.9Å; L337-L339 HydrophobicContact CG-CG 4.21Å; L337-F352 HydrophobicContact CD2-CD1 4.24Å; L337-F352 HydrophobicContact CD2-CE1 4.05Å; L337-L355 HydrophobicContact CD2-CD1 3.84Å; L337-V358 HydrophobicContact CB-CG2 4.4Å; L337-V360 PolarHBondContact N-O 3.35Å; L337-I361 HydrophobicContact CB-CG1 4.31Å; L337-I361 HydrophobicContact CD2-CG1 4.46Å; L337-I361 WeakPolarHBondContact O-CA 3.5Å; L337-N362 PolarHBondContact O-N 3.43Å
338	E	98.8	Very high	96.5	Very high	34 Å²	34	45 Å²	45	16%	0.159	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	118.2	176.6	-66.6	-179.7	174.1	0	0	110.7	L313 R314 L315 S316 V336 N362	L313-E338 PolarHBondContact O-N 2.89Å; R314-E338 HydrophobicContact CB-CB 4.5Å; R314-E338 WeakPolarHBondContact CD-OE2 3.43Å; R314-E338 HydrophobicContact CG-CB 4.45Å; R314-E338 VanDerWaalsContact CG-OE2 3.31Å; R314-E338 WeakPolarHBondContact CG-OE2 3.17Å; R314-E338 IonicContact CZ-OE1 2.73Å; R314-E338 IonicContact CZ-OE2 3.85Å; R314-E338 VanDerWaalsContact CZ-OE2 3.29Å; R314-E338 IonicContact NE-OE2 3.97Å; R314-E338 PolarHBondContact NE-OE2 3.07Å; R314-E338 IonicContact NH1-OE1 3.6Å; R314-E338 PolarHBondContact NH1-OE1 3.43Å; R314-E338 IonicContact NH1-OE2 2.93Å; R314-E338 PolarHBondContact NH1-OE2 3.02Å; R314-E338 IonicContact NH2-OE1 3.48Å; L315-E338 CarbonylContact C-O 3.48Å; L315-E338 WeakPolarHBondContact CA-O 3.14Å; L315-E338 WeakPolarHBondContact CB-O 3.28Å; L315-E338 PolarHBondContact N-O 3.03Å; S316-E338 PolarHBondContact N-O 3.22Å; S316-E338 WeakPolarHBondContact OG-CB 3.41Å; V336-E338 HydrophobicContact CG1-CG 3.99Å; E338-N362 HydrophobicContact CG-CB 4.47Å
339	L	98.4	Very high	96.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.			trans	-127.9	13	179	-73.1	161.4	0	0	0	111.3	L315 I320 L323 F328 L337 N342 N362 L363	L315-L339 HydrophobicContact CB-CD2 3.77Å; L315-L339 HydrophobicContact CD1-CD2 3.91Å; I320-L339 HydrophobicContact CD1-CD2 3.93Å; L323-L339 HydrophobicContact CD2-CD1 4.39Å; F328-L339 HydrophobicContact CE2-CD1 4.43Å; F328-L339 HydrophobicContact CZ-CD1 3.95Å; L337-L339 HydrophobicContact CD1-CD1 4.14Å; L337-L339 HydrophobicContact CD1-CG 4.13Å; L337-L339 HydrophobicContact CD2-CD1 3.91Å; L337-L339 HydrophobicContact CG-CD1 3.9Å; L337-L339 HydrophobicContact CG-CG 4.21Å; L339-N342 WeakPolarHBondContact O-CB 3.35Å; L339-N342 PolarHBondContact O-ND2 3.31Å; L339-N362 CarbonylContact C-O 3.35Å; L339-N362 WeakPolarHBondContact CA-O 3.02Å; L339-N362 WeakPolarHBondContact CB-O 3.44Å; L339-N362 PolarHBondContact N-O 3Å; L339-L363 HydrophobicContact CB-CD2 3.78Å; L339-L363 HydrophobicContact CD1-CD2 3.81Å; L339-L363 HydrophobicContact CG-CD2 4.46Å
340	D	98.4	Very high	96.3	Very high	15 Å²	15	45.4 Å²	45.4	8%	0.08	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	149.5	-177.5	55.3	-67.3	0	0	0	113	S316 Y317 N342 N362 S364	S316-D340 CarbonylContact C-O 3.05Å; S316-D340 WeakPolarHBondContact CA-O 3.06Å; S316-D340 WeakPolarHBondContact CB-OD1 3.31Å; S316-D340 WeakPolarHBondContact CB-OD2 3.43Å; S316-D340 PolarHBondContact OG-OD1 3.07Å; Y317-D340 PolarHBondContact N-O 2.91Å; D340-N342 PolarHBondContact O-N 2.98Å; D340-N362 PolarHBondContact N-O 2.92Å; D340-S364 CarbonylContact C-O 3.58Å; D340-S364 WeakPolarHBondContact CA-O 3.1Å
341	Y	97.1	Very high	96.5	Very high	76 Å²	76	44 Å²	44	30%	0.298	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	40.3	-178.5	-56.3	-80.4	0	0	0	113.3	Y317 S364 K389	Y317-Y341 WeakPolarHBondContact CA-O 3.44Å; Y317-Y341 HydrophobicContact CD1-CD2 4.38Å; Y317-Y341 HydrophobicContact CD1-CG 4.13Å; Y317-Y341 HydrophobicContact CD2-CD2 4.41Å; Y317-Y341 HydrophobicContact CE1-CD1 4.3Å; Y317-Y341 AromaticContact CE1-CD2 3.66Å; Y317-Y341 HydrophobicContact CE1-CD2 3.66Å; Y317-Y341 HydrophobicContact CE1-CE2 4.34Å; Y317-Y341 AromaticContact CE1-CG 3.62Å; Y317-Y341 HydrophobicContact CE1-CG 3.62Å; Y317-Y341 AromaticContact CE2-CD2 3.67Å; Y317-Y341 HydrophobicContact CE2-CD2 3.67Å; Y317-Y341 HydrophobicContact CE2-CE2 4.31Å; Y317-Y341 HydrophobicContact CE2-CG 4.36Å; Y317-Y341 AromaticContact CZ-CD2 3.25Å; Y317-Y341 AromaticContact CZ-CE2 3.72Å; Y317-Y341 AromaticContact CZ-CG 3.75Å; Y317-Y341 VanDerWaalsContact OH-CD2 3.29Å; Y317-Y341 WeakPolarHBondContact OH-CD2 3.26Å; Y317-Y341 WeakPolarHBondContact OH-CE2 3.4Å; Y341-S364 PolarHBondContact N-O 2.9Å; Y341-K389 PolarHBondContact OH-NZ 3.28Å
342	N	97.4	Very high	96.5	Very high	10 Å²	10	44 Å²	44	5%	0.053	22%	0.223	C	C	.	.	S	Bend	trans	-91.2	-167.1	161.8	-86.5	-82.3	0	0	0	110.7	L315 N318 R319 I320 L339 D340 V344	L315-N342 PolarHBondContact O-ND2 3.32Å; N318-N342 VanDerWaalsContact CA-OD1 3.31Å; N318-N342 WeakPolarHBondContact CA-OD1 3.48Å; N318-N342 WeakPolarHBondContact CB-OD1 3.45Å; N318-N342 PolarHBondContact O-OD1 3.03Å; R319-N342 PolarHBondContact N-OD1 3.34Å; I320-N342 HydrophobicContact CB-CB 4.24Å; I320-N342 VanDerWaalsContact CB-OD1 3.31Å; I320-N342 WeakPolarHBondContact CB-OD1 3.35Å; I320-N342 WeakPolarHBondContact CG1-OD1 3.4Å; I320-N342 PolarHBondContact N-OD1 2.96Å; L339-N342 WeakPolarHBondContact O-CB 3.35Å; L339-N342 PolarHBondContact O-ND2 3.31Å; D340-N342 PolarHBondContact O-N 2.98Å; N342-V344 HydrophobicContact CB-CG2 3.87Å
343	Q	94.9	Very high	96.5	Very high	80 Å²	80	45 Å²	45	37%	0.374	23%	0.225	S	C	.	.			trans	-116	31.2	179.5	-62.8	-179.7	-10.6	0	0	111.1	I320 R321 Q345	I320-Q343 CarbonylContact O-C 3.52Å; I320-Q343 WeakPolarHBondContact O-CA 3.38Å; I320-Q343 PolarHBondContact O-N 2.96Å; R321-Q343 WeakPolarHBondContact CA-O 3.28Å; R321-Q343 HydrophobicContact CG-CB 4.15Å; Q343-Q345 PolarHBondContact O-N 2.87Å
344	V	96.3	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.			trans	-68.4	120.4	-170	-171.1	0	0	0	0	109.7	I320 R321 L323 N342 C367 F368	I320-V344 HydrophobicContact CG2-CG2 4.32Å; I320-V344 WeakPolarHBondContact O-CG2 3.31Å; I320-V344 PolarHBondContact O-N 2.96Å; I320-V344 VanDerWaalsContact O-N 3.07Å; R321-V344 WeakPolarHBondContact O-CA 3.17Å; L323-V344 HydrophobicContact CD1-CG1 4.25Å; L323-V344 HydrophobicContact CD2-CG2 4.49Å; L323-V344 HydrophobicContact CG-CG1 3.86Å; N342-V344 HydrophobicContact CB-CG2 3.87Å; V344-C367 CarbonylContact O-C 3.49Å; V344-C367 PolarHBondContact O-N 3.36Å; V344-F368 HydrophobicContact CB-CZ 4.18Å; V344-F368 HydrophobicContact CG1-CE1 3.65Å; V344-F368 HydrophobicContact CG1-CE2 4.32Å; V344-F368 HydrophobicContact CG1-CZ 3.42Å; V344-F368 VanDerWaalsContact CG1-CZ 3.42Å
345	Q	94.8	Very high	96.2	Very high	116 Å²	116	41.8 Å²	41.8	54%	0.542	22%	0.218	S	C	.	.			trans	-114.2	-28.8	178.7	-69.2	170.9	33.8	0	0	111.8	R321 Q343 C367	R321-Q345 PolarHBondContact O-N 2.95Å; Q343-Q345 PolarHBondContact O-N 2.87Å; Q345-C367 HydrophobicContact CG-CB 4.46Å
346	E	93.9	Very high	96	Very high	130 Å²	130	39.6 Å²	39.6	61%	0.607	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	145.8	-174.6	-64.5	178.2	-179.3	0	0	110.8	A322 L323	A322-E346 CarbonylContact C-O 3.5Å; A322-E346 VanDerWaalsContact CA-O 3.25Å; A322-E346 WeakPolarHBondContact CA-O 3.46Å; A322-E346 HydrophobicContact CB-CB 4.46Å; L323-E346 PolarHBondContact N-O 2.95Å
347	A	95.3	Very high	95.8	Very high	12 Å²	12	41.6 Å²	41.6	10%	0.099	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.5	171.4	0	0	0	0	0	109.6	L323 F368 P372 M375	L323-A347 HydrophobicContact CB-CB 3.96Å; L323-A347 HydrophobicContact CD1-CB 4.3Å; L323-A347 HydrophobicContact CG-CB 4.45Å; L323-A347 CarbonylContact O-C 3.06Å; L323-A347 WeakPolarHBondContact O-CA 3.46Å; A347-F368 HydrophobicContact CB-CE1 3.97Å; A347-F368 HydrophobicContact CB-CZ 4.47Å; A347-P372 HydrophobicContact CB-CG 4.26Å; A347-P372 WeakPolarHBondContact O-CG 3.37Å; A347-M375 HydrophobicContact CB-CE 3.53Å
348	H	94.7	Very high	95.8	Very high	93 Å²	93	41.6 Å²	41.6	43%	0.431	22%	0.222	S	C	.	.			trans	-91.9	151.9	173.9	-74.4	-103.2	0	0	0	111.4	L323 E325 G350 S351	L323-H348 PolarHBondContact O-CD2 2.82Å; L323-H348 PolarHBondContact O-N 2.87Å; E325-H348 HydrophobicContact CG-CB 3.62Å; H348-G350 PolarHBondContact O-N 3.22Å; H348-S351 PolarHBondContact N-OG 3.47Å; H348-S351 WeakPolarHBondContact O-CB 3.4Å; H348-S351 PolarHBondContact O-N 3.38Å; H348-S351 PolarHBondContact O-OG 3.27Å
349	V	94	Very high	95.7	Very high	82 Å²	82	41.5 Å²	41.5	50%	0.497	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	126	165.3	-177.9	0	0	0	0	108.1	D373	V349-D373 WeakPolarHBondContact CG2-O 3.15Å
350	G	93.6	Very high	95.8	Very high	17 Å²	17	43.5 Å²	43.5	18%	0.175	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	11	-174.3	0	0	0	0	0	115.1	R326 H348 F352 T353	R326-G350 PolarHBondContact N-O 2.87Å; H348-G350 PolarHBondContact O-N 3.22Å; G350-F352 PolarHBondContact O-N 2.95Å; G350-T353 VanDerWaalsContact CA-OG1 3.29Å; G350-T353 WeakPolarHBondContact CA-OG1 3.12Å; G350-T353 WeakPolarHBondContact O-CB 3.4Å; G350-T353 PolarHBondContact O-N 2.83Å; G350-T353 PolarHBondContact O-OG1 3.47Å; G350-T353 VanDerWaalsContact O-OG1 3.1Å
351	S	96.1	Very high	95.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-39	171.2	-63.1	0	0	0	0	112.7	L323 G324 F328 H348	L323-S351 PolarHBondContact O-OG 3.46Å; G324-S351 WeakPolarHBondContact O-CA 3.17Å; G324-S351 PolarHBondContact O-OG 2.94Å; F328-S351 WeakPolarHBondContact CD2-O 3.34Å; H348-S351 PolarHBondContact N-OG 3.47Å; H348-S351 WeakPolarHBondContact O-CB 3.4Å; H348-S351 PolarHBondContact O-N 3.38Å; H348-S351 PolarHBondContact O-OG 3.27Å
352	F	96.6	Very high	95.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.9	-178.3	-57.5	-72.8	0	0	0	113.9	L323 F328 L337 G350 G354 L355 I361 L363 M375 F376 L379	L323-F352 HydrophobicContact CD1-CE1 4.3Å; L323-F352 HydrophobicContact CD1-CE2 4.35Å; L323-F352 HydrophobicContact CD1-CZ 3.65Å; F328-F352 AromaticContact CD2-CD1 3.99Å; F328-F352 HydrophobicContact CD2-CD1 3.99Å; F328-F352 HydrophobicContact CD2-CE1 4.4Å; F328-F352 HydrophobicContact CE2-CD1 4.06Å; F328-F352 AromaticContact CE2-CE1 4Å; F328-F352 HydrophobicContact CE2-CE1 4Å; L337-F352 HydrophobicContact CD2-CD1 4.24Å; L337-F352 HydrophobicContact CD2-CE1 4.05Å; G350-F352 PolarHBondContact O-N 2.95Å; F352-G354 PolarHBondContact O-N 3.33Å; F352-L355 HydrophobicContact CB-CD1 4.09Å; F352-L355 HydrophobicContact CD1-CD1 3.76Å; F352-L355 HydrophobicContact CG-CD1 4.41Å; F352-L355 WeakPolarHBondContact O-CB 3.29Å; F352-L355 PolarHBondContact O-N 2.98Å; F352-I361 HydrophobicContact CD1-CD1 4.02Å; F352-I361 HydrophobicContact CE1-CD1 4.15Å; F352-I361 HydrophobicContact CE1-CG2 4.45Å; F352-L363 HydrophobicContact CZ-CD1 4.05Å; F352-M375 HydrophobicContact CE2-CE 3.68Å; F352-F376 AromaticContact CD2-CD1 3.89Å; F352-F376 HydrophobicContact CD2-CD1 3.89Å; F352-F376 HydrophobicContact CD2-CE1 4.05Å; F352-F376 AromaticContact CE2-CD1 3.88Å; F352-F376 HydrophobicContact CE2-CD1 3.88Å; F352-F376 AromaticContact CE2-CE1 3.53Å; F352-F376 HydrophobicContact CE2-CE1 3.53Å; F352-F376 HydrophobicContact CZ-CE1 4.21Å; F352-L379 HydrophobicContact CB-CD1 4.05Å; F352-L379 HydrophobicContact CB-CD2 4Å; F352-L379 HydrophobicContact CB-CG 4.25Å; F352-L379 HydrophobicContact CD2-CD1 4.41Å; F352-L379 HydrophobicContact CG-CD1 4.19Å
353	T	94.6	Very high	95.9	Very high	40 Å²	40	40.1 Å²	40.1	25%	0.245	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	133.2	174.7	-63.5	0	0	0	0	110.5	R326 G350	R326-T353 HydrophobicContact CG-CG2 4.34Å; G350-T353 VanDerWaalsContact CA-OG1 3.29Å; G350-T353 WeakPolarHBondContact CA-OG1 3.12Å; G350-T353 WeakPolarHBondContact O-CB 3.4Å; G350-T353 PolarHBondContact O-N 2.83Å; G350-T353 PolarHBondContact O-OG1 3.47Å; G350-T353 VanDerWaalsContact O-OG1 3.1Å
354	G	93.3	Very high	96	Very high	29 Å²	29	36.6 Å²	36.6	30%	0.299	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.8	-18	-176.5	0	0	0	0	0	114.2	G332 F352 S356	G332-G354 WeakPolarHBondContact CA-O 3.29Å; F352-G354 PolarHBondContact O-N 3.33Å; G354-S356 VanDerWaalsContact C-N 3.33Å; G354-S356 PolarHBondContact O-N 2.77Å
355	L	96.2	Very high	96.1	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	22%	0.22	C	C	.	.			trans	-82.6	70.6	-179.9	-61.1	-173.3	0	0	0	112.6	F328 L331 L334 L337 F352 V358 L379	F328-L355 HydrophobicContact CB-CD1 4.23Å; F328-L355 HydrophobicContact CB-CD2 3.85Å; F328-L355 HydrophobicContact CB-CG 3.97Å; F328-L355 HydrophobicContact CD2-CD1 4.3Å; F328-L355 HydrophobicContact CG-CD1 4.37Å; L331-L355 HydrophobicContact CB-CD2 3.68Å; L331-L355 HydrophobicContact CD1-CD2 4.48Å; L334-L355 HydrophobicContact CB-CD2 4.11Å; L334-L355 HydrophobicContact CD2-CD2 3.65Å; L337-L355 HydrophobicContact CD2-CD1 3.84Å; F352-L355 HydrophobicContact CB-CD1 4.09Å; F352-L355 HydrophobicContact CD1-CD1 3.76Å; F352-L355 HydrophobicContact CG-CD1 4.41Å; F352-L355 WeakPolarHBondContact O-CB 3.29Å; F352-L355 PolarHBondContact O-N 2.98Å; L355-V358 HydrophobicContact CB-CB 4.14Å; L355-V358 HydrophobicContact CB-CG1 3.77Å; L355-V358 HydrophobicContact CD1-CG1 4.35Å; L355-L379 HydrophobicContact CB-CD2 3.83Å; L355-L379 WeakPolarHBondContact O-CD2 3.34Å
356	S	92.9	Very high	96	Very high	60 Å²	60	32.2 Å²	32.2	42%	0.42	20%	0.195	S	C	.	.	S	Bend	trans	-76.7	-18.7	-174.6	56.4	0	0	0	0	115.8	G332 G354 K381	G332-S356 PolarHBondContact O-OG 2.97Å; G354-S356 VanDerWaalsContact C-N 3.33Å; G354-S356 PolarHBondContact O-N 2.77Å; S356-K381 WeakPolarHBondContact O-CD 3.22Å
357	H	96.1	Very high	96	Very high	77 Å²	77	28.1 Å²	28.1	36%	0.356	18%	0.18	S	C	.	.	S	Bend	trans	-120.5	3.2	-176.1	-71.2	87	0	0	0	114.3	G332 L334 A359 K381	G332-H357 WeakPolarHBondContact O-CB 3.3Å; G332-H357 PolarHBondContact O-ND1 2.9Å; L334-H357 CarbonylContact O-C 3.42Å; H357-A359 PolarHBondContact O-N 2.65Å; H357-K381 PolarHBondContact CD2-NZ 2.75Å; H357-K381 PolarHBondContact NE2-NZ 2.81Å
358	V	97.8	Very high	95.9	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	18%	0.177	C	C	.	.			trans	-61.7	126.3	-174.6	69.3	0	0	0	0	110.6	L334 L337 L355 V360 I361 L379 K381 L382	L334-V358 WeakPolarHBondContact O-CA 3.35Å; L334-V358 PolarHBondContact O-N 3.2Å; L337-V358 HydrophobicContact CB-CG2 4.4Å; L355-V358 HydrophobicContact CB-CB 4.14Å; L355-V358 HydrophobicContact CB-CG1 3.77Å; L355-V358 HydrophobicContact CD1-CG1 4.35Å; V358-V360 WeakPolarHBondContact CG2-O 3.21Å; V358-I361 HydrophobicContact CG1-CD1 4.11Å; V358-I361 HydrophobicContact CG1-CG1 4.36Å; V358-I361 HydrophobicContact CG2-CD1 4.3Å; V358-I361 HydrophobicContact CG2-CG1 3.7Å; V358-L379 HydrophobicContact CG1-CD2 3.66Å; V358-K381 CarbonylContact O-C 3.51Å; V358-L382 HydrophobicContact CG1-CD1 4.12Å; V358-L382 HydrophobicContact CG2-CD1 4.44Å; V358-L382 VanDerWaalsContact O-CA 3.26Å; V358-L382 WeakPolarHBondContact O-CA 3.49Å; V358-L382 PolarHBondContact O-N 3.47Å
359	A	98.1	Very high	95.7	Very high	32 Å²	32	29 Å²	29	26%	0.264	18%	0.182	S	C	.	.			trans	-101.4	-34.1	-179.4	0	0	0	0	0	110.8	E335 H357 H383 S384	E335-A359 PolarHBondContact O-N 3.08Å; H357-A359 PolarHBondContact O-N 2.65Å; A359-H383 HydrophobicContact CB-CB 4.48Å; A359-H383 WeakPolarHBondContact O-CA 3.44Å; A359-H383 WeakPolarHBondContact O-CB 3.2Å; A359-H383 PolarHBondContact O-N 3.37Å; A359-S384 PolarHBondContact O-N 3.15Å
360	V	98.7	Very high	95.5	Very high	42 Å²	42	28 Å²	28	26%	0.255	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.3	-178.3	-176.6	0	0	0	0	110.3	E335 L337 V358	E335-V360 PolarHBondContact O-N 3.19Å; L337-V360 PolarHBondContact N-O 3.35Å; V358-V360 WeakPolarHBondContact CG2-O 3.21Å
361	I	98.7	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	121.2	166	-66.2	177.6	0	0	0	107.8	L337 F352 V358 L363 L379 L382 S384 L385 H386	L337-I361 HydrophobicContact CB-CG1 4.31Å; L337-I361 HydrophobicContact CD2-CG1 4.46Å; L337-I361 WeakPolarHBondContact O-CA 3.5Å; F352-I361 HydrophobicContact CD1-CD1 4.02Å; F352-I361 HydrophobicContact CE1-CD1 4.15Å; F352-I361 HydrophobicContact CE1-CG2 4.45Å; V358-I361 HydrophobicContact CG1-CD1 4.11Å; V358-I361 HydrophobicContact CG1-CG1 4.36Å; V358-I361 HydrophobicContact CG2-CD1 4.3Å; V358-I361 HydrophobicContact CG2-CG1 3.7Å; I361-L363 HydrophobicContact CG2-CD1 3.85Å; I361-L363 HydrophobicContact CG2-CG 3.9Å; I361-L379 HydrophobicContact CD1-CD1 3.46Å; I361-L379 VanDerWaalsContact CD1-CD1 3.46Å; I361-L382 HydrophobicContact CB-CD1 4.14Å; I361-L382 HydrophobicContact CD1-CD1 3.98Å; I361-L382 HydrophobicContact CD1-CD2 4.39Å; I361-L382 HydrophobicContact CG1-CD1 3.71Å; I361-S384 PolarHBondContact N-O 3.13Å; I361-S384 VanDerWaalsContact N-O 3.12Å; I361-L385 HydrophobicContact CB-CD1 4.04Å; I361-L385 HydrophobicContact CG2-CD1 4.03Å; I361-H386 PolarHBondContact O-N 3.31Å
362	N	98.8	Very high	95.5	Very high	29 Å²	29	29.1 Å²	29.1	16%	0.155	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.6	174	-170.6	-8	0	0	0	110.8	L337 E338 L339 D340 S364 H386	L337-N362 PolarHBondContact O-N 3.43Å; E338-N362 HydrophobicContact CG-CB 4.47Å; L339-N362 CarbonylContact C-O 3.35Å; L339-N362 WeakPolarHBondContact CA-O 3.02Å; L339-N362 WeakPolarHBondContact CB-O 3.44Å; L339-N362 PolarHBondContact N-O 3Å; D340-N362 PolarHBondContact N-O 2.92Å; N362-S364 WeakPolarHBondContact OD1-CB 3.25Å; N362-S364 PolarHBondContact OD1-N 3.01Å; N362-S364 PolarHBondContact OD1-OG 3.16Å; N362-H386 HydrophobicContact CB-CB 4.4Å; N362-H386 WeakPolarHBondContact OD1-CB 3.15Å
363	L	98.1	Very high	95.4	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	20%	0.2	C	C	.	.			trans	-119.1	18.4	175.5	-73	161.7	0	0	0	111.4	L323 L339 F352 I361 G365 S366 H386 L387	L323-L363 HydrophobicContact CD1-CD2 4.15Å; L339-L363 HydrophobicContact CB-CD2 3.78Å; L339-L363 HydrophobicContact CD1-CD2 3.81Å; L339-L363 HydrophobicContact CG-CD2 4.46Å; F352-L363 HydrophobicContact CZ-CD1 4.05Å; I361-L363 HydrophobicContact CG2-CD1 3.85Å; I361-L363 HydrophobicContact CG2-CG 3.9Å; L363-G365 PolarHBondContact O-N 3.11Å; L363-S366 WeakPolarHBondContact O-CB 3.49Å; L363-S366 PolarHBondContact O-N 3.17Å; L363-S366 PolarHBondContact O-OG 2.93Å; L363-H386 CarbonylContact C-O 3.27Å; L363-H386 WeakPolarHBondContact CA-O 3.36Å; L363-H386 WeakPolarHBondContact CB-O 3.42Å; L363-H386 PolarHBondContact N-O 2.9Å; L363-L387 HydrophobicContact CB-CD2 3.88Å; L363-L387 HydrophobicContact CD1-CD2 3.97Å
364	S	98.3	Very high	95.4	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.042	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	141.4	-179.8	-51	0	0	0	0	111.1	D340 Y341 N362 S366 H386 D388	D340-S364 CarbonylContact C-O 3.58Å; D340-S364 WeakPolarHBondContact CA-O 3.1Å; Y341-S364 PolarHBondContact N-O 2.9Å; N362-S364 WeakPolarHBondContact OD1-CB 3.25Å; N362-S364 PolarHBondContact OD1-N 3.01Å; N362-S364 PolarHBondContact OD1-OG 3.16Å; S364-S366 VanDerWaalsContact C-N 3.25Å; S364-S366 PolarHBondContact O-N 3.18Å; S364-H386 WeakPolarHBondContact OG-CB 3.09Å; S364-D388 CarbonylContact C-O 3.47Å; S364-D388 WeakPolarHBondContact CA-O 3.37Å; S364-D388 WeakPolarHBondContact CB-OD1 3.44Å; S364-D388 VanDerWaalsContact OG-CG 3.29Å; S364-D388 PolarHBondContact OG-OD1 3.19Å; S364-D388 PolarHBondContact OG-OD2 2.71Å
365	G	96.6	Very high	95.5	Very high	20 Å²	20	32.3 Å²	32.3	21%	0.206	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	1.7	-175.3	0	0	0	0	0	114.8	L363 D388 K389	L363-G365 PolarHBondContact O-N 3.11Å; G365-D388 PolarHBondContact N-O 2.76Å; G365-K389 VanDerWaalsContact CA-O 3.29Å; G365-K389 WeakPolarHBondContact CA-O 3.38Å
366	S	94.5	Very high	95.5	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.028	19%	0.189	C	C	.	.			trans	-73.8	140.2	171.8	-60	0	0	0	0	110.9	L363 S364 F368 G390 C391	L363-S366 WeakPolarHBondContact O-CB 3.49Å; L363-S366 PolarHBondContact O-N 3.17Å; L363-S366 PolarHBondContact O-OG 2.93Å; S364-S366 VanDerWaalsContact C-N 3.25Å; S364-S366 PolarHBondContact O-N 3.18Å; S366-F368 VanDerWaalsContact CB-CE2 3.4Å; S366-F368 PolarHBondContact O-N 3.37Å; S366-G390 WeakPolarHBondContact O-CA 3.5Å; S366-C391 PolarHBondContact O-N 2.81Å
367	C	93.6	Very high	95.5	Very high	43 Å²	43	35.2 Å²	35.2	29%	0.291	20%	0.195	S	C	.	.			trans	-104.4	54	-174.3	-165.9	0	0	0	0	111.9	V344 Q345 C391	V344-C367 CarbonylContact O-C 3.49Å; V344-C367 PolarHBondContact O-N 3.36Å; Q345-C367 HydrophobicContact CG-CB 4.46Å; C367-C391 WeakPolarHBondContact CA-SG 3.45Å; C367-C391 HydrophobicContact CB-CB 3.87Å; C367-C391 WeakPolarHBondContact CB-SG 3.38Å; C367-C391 WeakPolarHBondContact SG-CB 3.37Å; C367-C391 CovalentContact SG-SG 2.04Å; C367-C391 PolarHBondContact SG-SG 2.98Å
368	F	93.1	Very high	95.3	Very high	7 Å²	7	35 Å²	35	3%	0.031	20%	0.199	C	C	.	.			trans	-68.8	134.4	171.2	-62.4	-72.6	0	0	0	110.1	V344 A347 S366 L371 L387 C391 L392	V344-F368 HydrophobicContact CB-CZ 4.18Å; V344-F368 HydrophobicContact CG1-CE1 3.65Å; V344-F368 HydrophobicContact CG1-CE2 4.32Å; V344-F368 HydrophobicContact CG1-CZ 3.42Å; V344-F368 VanDerWaalsContact CG1-CZ 3.42Å; A347-F368 HydrophobicContact CB-CE1 3.97Å; A347-F368 HydrophobicContact CB-CZ 4.47Å; S366-F368 VanDerWaalsContact CB-CE2 3.4Å; S366-F368 PolarHBondContact O-N 3.37Å; F368-L371 HydrophobicContact CB-CD2 4.31Å; F368-L371 HydrophobicContact CD2-CD2 3.96Å; F368-L371 HydrophobicContact CE2-CD2 4.4Å; F368-L371 HydrophobicContact CG-CD2 4.01Å; F368-L387 HydrophobicContact CD2-CD2 4.45Å; F368-L387 HydrophobicContact CE2-CD2 4.31Å; F368-C391 CarbonylContact O-C 3.16Å; F368-C391 VanDerWaalsContact O-O 3.1Å; F368-L392 HydrophobicContact CB-CD1 4.29Å; F368-L392 WeakPolarHBondContact O-CA 3.28Å; F368-L392 PolarHBondContact O-N 2.87Å; F368-L392 VanDerWaalsContact O-N 3.12Å
369	Q	89	Confident	95.2	Very high	116 Å²	116	35 Å²	35	54%	0.542	20%	0.199	S	C	.	.	S	Bend	trans	-77.3	-43.1	167.9	-69	-63.7	-33.6	0	0	111.1	T393	Q369-T393 PolarHBondContact O-N 3.31Å; Q369-T393 PolarHBondContact O-OG1 3.37Å
370	S	91.8	Very high	94.9	Very high	63 Å²	63	36.9 Å²	36.9	44%	0.441	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-144.3	152.1	171.2	60.5	0	0	0	0	109.5
371	L	94.6	Very high	94.7	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.026	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-82.4	133.5	173.9	-62.7	169.8	0	0	0	110.2	F368 D373 M375 F376 L387 L392 A399 F400	F368-L371 HydrophobicContact CB-CD2 4.31Å; F368-L371 HydrophobicContact CD2-CD2 3.96Å; F368-L371 HydrophobicContact CE2-CD2 4.4Å; F368-L371 HydrophobicContact CG-CD2 4.01Å; L371-D373 PolarHBondContact O-N 2.82Å; L371-M375 HydrophobicContact CB-SD 4.09Å; L371-M375 HydrophobicContact CD2-SD 4.06Å; L371-F376 HydrophobicContact CD1-CE2 4.33Å; L371-L387 HydrophobicContact CD1-CD1 3.88Å; L371-L387 HydrophobicContact CD2-CD2 4.28Å; L371-L392 HydrophobicContact CD1-CD2 4.28Å; L371-L392 HydrophobicContact CG-CD1 3.98Å; L371-L392 HydrophobicContact CG-CD2 4.47Å; L371-A399 HydrophobicContact CB-CB 4.16Å; L371-A399 HydrophobicContact CD1-CB 4.33Å; L371-F400 HydrophobicContact CD1-CE1 3.69Å; L371-F400 HydrophobicContact CD1-CZ 3.83Å
372	P	94.3	Very high	94.7	Very high	34 Å²	34	40.4 Å²	40.4	22%	0.221	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-59.4	132.6	169.3	-14.8	17.5	0	0	0	112.2	A347 Q374 M375	A347-P372 HydrophobicContact CB-CG 4.26Å; A347-P372 WeakPolarHBondContact O-CG 3.37Å; P372-Q374 PolarHBondContact O-N 2.78Å; P372-M375 HydrophobicContact CB-CB 4.33Å; P372-M375 HydrophobicContact CB-SD 4.48Å; P372-M375 VanDerWaalsContact CD-SD 3.57Å; P372-M375 HydrophobicContact CG-SD 4.12Å; P372-M375 WeakPolarHBondContact O-CB 3.49Å; P372-M375 WeakPolarHBondContact O-CG 3.24Å; P372-M375 PolarHBondContact O-N 2.97Å
373	D	94.8	Very high	94.7	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.364	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	139.1	178	-74.5	-13.7	0	0	0	111.9	V349 L371 M375 T396 L398	V349-D373 WeakPolarHBondContact CG2-O 3.15Å; L371-D373 PolarHBondContact O-N 2.82Å; D373-M375 PolarHBondContact O-N 3.48Å; D373-M375 VanDerWaalsContact O-N 3.1Å; D373-T396 WeakPolarHBondContact OD1-CB 3.37Å; D373-T396 PolarHBondContact OD1-OG1 3.5Å; D373-L398 HydrophobicContact CB-CB 3.8Å
374	Q	94.5	Very high	94.7	Very high	67 Å²	67	42.6 Å²	42.6	31%	0.313	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	13.6	177.3	-52.1	179.9	38.6	0	0	115.1	P372 F376 K377 L398	P372-Q374 PolarHBondContact O-N 2.78Å; Q374-F376 PolarHBondContact O-N 2.62Å; Q374-F376 VanDerWaalsContact O-N 3.13Å; Q374-K377 HydrophobicContact CB-CB 4.24Å; Q374-K377 HydrophobicContact CB-CD 4.3Å; Q374-K377 WeakPolarHBondContact O-CB 3.2Å; Q374-K377 PolarHBondContact O-N 3.33Å; Q374-K377 VanDerWaalsContact O-N 3.08Å; Q374-L398 PolarHBondContact N-O 2.92Å
375	M	94.9	Very high	94.7	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.9	179.5	69.7	-175.9	-75.4	0	0	113.5	A347 F352 L371 P372 D373	A347-M375 HydrophobicContact CB-CE 3.53Å; F352-M375 HydrophobicContact CE2-CE 3.68Å; L371-M375 HydrophobicContact CB-SD 4.09Å; L371-M375 HydrophobicContact CD2-SD 4.06Å; P372-M375 HydrophobicContact CB-CB 4.33Å; P372-M375 HydrophobicContact CB-SD 4.48Å; P372-M375 VanDerWaalsContact CD-SD 3.57Å; P372-M375 HydrophobicContact CG-SD 4.12Å; P372-M375 WeakPolarHBondContact O-CB 3.49Å; P372-M375 WeakPolarHBondContact O-CG 3.24Å; P372-M375 PolarHBondContact O-N 2.97Å; D373-M375 PolarHBondContact O-N 3.48Å; D373-M375 VanDerWaalsContact O-N 3.1Å
376	F	95.8	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	9.6	179.4	-53.8	-65.3	0	0	0	114.1	F352 L371 Q374 T378 L379 L385 A399 F400 S401 L403	F352-F376 AromaticContact CD2-CD1 3.89Å; F352-F376 HydrophobicContact CD2-CD1 3.89Å; F352-F376 HydrophobicContact CD2-CE1 4.05Å; F352-F376 AromaticContact CE2-CD1 3.88Å; F352-F376 HydrophobicContact CE2-CD1 3.88Å; F352-F376 AromaticContact CE2-CE1 3.53Å; F352-F376 HydrophobicContact CE2-CE1 3.53Å; F352-F376 HydrophobicContact CZ-CE1 4.21Å; L371-F376 HydrophobicContact CD1-CE2 4.33Å; Q374-F376 PolarHBondContact O-N 2.62Å; Q374-F376 VanDerWaalsContact O-N 3.13Å; F376-T378 PolarHBondContact O-N 3.22Å; F376-L379 HydrophobicContact CB-CD1 4.14Å; F376-L379 HydrophobicContact CD1-CD1 3.76Å; F376-L379 HydrophobicContact CG-CD1 4.42Å; F376-L379 WeakPolarHBondContact O-CB 3.28Å; F376-L379 PolarHBondContact O-N 3.39Å; F376-L385 HydrophobicContact CE1-CD1 4.42Å; F376-L385 HydrophobicContact CE1-CD2 4.44Å; F376-L385 HydrophobicContact CE2-CD2 4.22Å; F376-L385 HydrophobicContact CZ-CD2 4.15Å; F376-A399 WeakPolarHBondContact CD2-O 3.36Å; F376-F400 HydrophobicContact CD2-CD1 4.45Å; F376-F400 HydrophobicContact CE2-CD1 4.39Å; F376-S401 CarbonylContact C-O 3.45Å; F376-L403 HydrophobicContact CB-CD1 3.91Å; F376-L403 HydrophobicContact CB-CD2 3.8Å; F376-L403 HydrophobicContact CB-CG 3.8Å; F376-L403 HydrophobicContact CD2-CD1 4.05Å; F376-L403 HydrophobicContact CG-CD1 4.08Å
377	K	93.4	Very high	95	Very high	123 Å²	123	43.5 Å²	43.5	54%	0.535	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.8	-169.6	-174.6	175.2	-171.3	169.1	0	115	Q374 S401	Q374-K377 HydrophobicContact CB-CB 4.24Å; Q374-K377 HydrophobicContact CB-CD 4.3Å; Q374-K377 WeakPolarHBondContact O-CB 3.2Å; Q374-K377 PolarHBondContact O-N 3.33Å; Q374-K377 VanDerWaalsContact O-N 3.08Å; K377-S401 WeakPolarHBondContact CA-O 3.41Å; K377-S401 PolarHBondContact N-O 2.98Å
378	T	91.6	Very high	95.2	Very high	71 Å²	71	41.9 Å²	41.9	44%	0.436	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.2	-177.7	57.4	0	0	0	0	114.1	F376 S380	F376-T378 PolarHBondContact O-N 3.22Å; T378-S380 PolarHBondContact O-N 3.27Å
379	L	95.8	Very high	95.4	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	23%	0.233	C	C	.	.			trans	-96.8	50.4	-167.5	-58.7	-173.5	0	0	0	113.5	F352 L355 V358 I361 F376 K381 L382 L403	F352-L379 HydrophobicContact CB-CD1 4.05Å; F352-L379 HydrophobicContact CB-CD2 4Å; F352-L379 HydrophobicContact CB-CG 4.25Å; F352-L379 HydrophobicContact CD2-CD1 4.41Å; F352-L379 HydrophobicContact CG-CD1 4.19Å; L355-L379 HydrophobicContact CB-CD2 3.83Å; L355-L379 WeakPolarHBondContact O-CD2 3.34Å; V358-L379 HydrophobicContact CG1-CD2 3.66Å; I361-L379 HydrophobicContact CD1-CD1 3.46Å; I361-L379 VanDerWaalsContact CD1-CD1 3.46Å; F376-L379 HydrophobicContact CB-CD1 4.14Å; F376-L379 HydrophobicContact CD1-CD1 3.76Å; F376-L379 HydrophobicContact CG-CD1 4.42Å; F376-L379 WeakPolarHBondContact O-CB 3.28Å; F376-L379 PolarHBondContact O-N 3.39Å; L379-K381 PolarHBondContact O-N 3Å; L379-L382 HydrophobicContact CB-CB 4.13Å; L379-L382 HydrophobicContact CD1-CD2 4.19Å; L379-L382 WeakPolarHBondContact O-CB 3.29Å; L379-L382 PolarHBondContact O-N 3.17Å; L379-L382 VanDerWaalsContact O-N 3.14Å; L379-L403 HydrophobicContact CB-CD2 3.79Å
380	S	91.9	Very high	95.7	Very high	71 Å²	71	40.7 Å²	40.7	50%	0.497	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-20	-174.3	59.8	0	0	0	0	114.7	T378 G405	T378-S380 PolarHBondContact O-N 3.27Å; S380-G405 WeakPolarHBondContact O-CA 3.44Å
381	K	95.1	Very high	95.9	Very high	116 Å²	116	39.5 Å²	39.5	50%	0.504	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.7	177.2	-63.8	-165.3	-176.6	-179.9	0	114.2	S356 H357 V358 L379 H383	S356-K381 WeakPolarHBondContact O-CD 3.22Å; H357-K381 PolarHBondContact CD2-NZ 2.75Å; H357-K381 PolarHBondContact NE2-NZ 2.81Å; V358-K381 CarbonylContact O-C 3.51Å; L379-K381 PolarHBondContact O-N 3Å; K381-H383 PolarHBondContact O-N 3.25Å
382	L	98.1	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.			trans	-61.1	127.1	-178.6	-169.8	68.3	0	0	0	109.9	V358 I361 L379 L385 L403 G405 L406	V358-L382 HydrophobicContact CG1-CD1 4.12Å; V358-L382 HydrophobicContact CG2-CD1 4.44Å; V358-L382 VanDerWaalsContact O-CA 3.26Å; V358-L382 WeakPolarHBondContact O-CA 3.49Å; V358-L382 PolarHBondContact O-N 3.47Å; I361-L382 HydrophobicContact CB-CD1 4.14Å; I361-L382 HydrophobicContact CD1-CD1 3.98Å; I361-L382 HydrophobicContact CD1-CD2 4.39Å; I361-L382 HydrophobicContact CG1-CD1 3.71Å; L379-L382 HydrophobicContact CB-CB 4.13Å; L379-L382 HydrophobicContact CD1-CD2 4.19Å; L379-L382 WeakPolarHBondContact O-CB 3.29Å; L379-L382 PolarHBondContact O-N 3.17Å; L379-L382 VanDerWaalsContact O-N 3.14Å; L382-L385 HydrophobicContact CD2-CB 3.99Å; L382-L385 HydrophobicContact CD2-CD1 4.33Å; L382-L385 HydrophobicContact CD2-CD2 4.43Å; L382-L385 HydrophobicContact CD2-CG 4.48Å; L382-L403 HydrophobicContact CB-CD2 4.06Å; L382-L403 HydrophobicContact CD2-CD2 3.66Å; L382-L403 HydrophobicContact CG-CD2 4.48Å; L382-G405 CarbonylContact O-C 3.42Å; L382-L406 HydrophobicContact CB-CD1 4.4Å; L382-L406 HydrophobicContact CD2-CD1 3.96Å; L382-L406 HydrophobicContact CG-CD1 3.9Å; L382-L406 WeakPolarHBondContact O-CA 3.48Å; L382-L406 PolarHBondContact O-N 3.31Å
383	H	98.2	Very high	96.1	Very high	75 Å²	75	39.6 Å²	39.6	35%	0.347	21%	0.206	S	C	.	.			trans	-98.9	-45	-179.7	174.9	95.3	0	0	0	111.5	A359 K381 R407 R408	A359-H383 HydrophobicContact CB-CB 4.48Å; A359-H383 WeakPolarHBondContact O-CA 3.44Å; A359-H383 WeakPolarHBondContact O-CB 3.2Å; A359-H383 PolarHBondContact O-N 3.37Å; K381-H383 PolarHBondContact O-N 3.25Å; H383-R407 WeakPolarHBondContact ND1-CG 3.38Å; H383-R407 WeakPolarHBondContact O-CA 3.41Å; H383-R407 PolarHBondContact O-N 3.14Å; H383-R408 PolarHBondContact NE2-NH2 3.17Å; H383-R408 PolarHBondContact O-N 3.35Å
384	S	98.6	Very high	96.1	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	131.4	-178.1	-159.3	0	0	0	0	111.1	A359 I361 H386 R408 F410	A359-S384 PolarHBondContact O-N 3.15Å; I361-S384 PolarHBondContact N-O 3.13Å; I361-S384 VanDerWaalsContact N-O 3.12Å; S384-H386 PolarHBondContact OG-NE2 3.31Å; S384-R408 WeakPolarHBondContact CA-O 3.5Å; S384-F410 WeakPolarHBondContact OG-CE2 3.44Å
385	L	98.8	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.1	173.8	179.7	57.6	0	0	0	109.6	I361 F376 L382 L387 F400 L403 L406 R408 L409 F410	I361-L385 HydrophobicContact CB-CD1 4.04Å; I361-L385 HydrophobicContact CG2-CD1 4.03Å; F376-L385 HydrophobicContact CE1-CD1 4.42Å; F376-L385 HydrophobicContact CE1-CD2 4.44Å; F376-L385 HydrophobicContact CE2-CD2 4.22Å; F376-L385 HydrophobicContact CZ-CD2 4.15Å; L382-L385 HydrophobicContact CD2-CB 3.99Å; L382-L385 HydrophobicContact CD2-CD1 4.33Å; L382-L385 HydrophobicContact CD2-CD2 4.43Å; L382-L385 HydrophobicContact CD2-CG 4.48Å; L385-L387 HydrophobicContact CD1-CD1 4.42Å; L385-L387 HydrophobicContact CD1-CG 4.25Å; L385-L387 HydrophobicContact CD2-CD1 3.79Å; L385-L387 HydrophobicContact CD2-CG 4.46Å; L385-L387 HydrophobicContact CG-CD1 3.94Å; L385-L387 HydrophobicContact CG-CG 4.1Å; L385-F400 HydrophobicContact CD2-CD1 4.35Å; L385-F400 HydrophobicContact CD2-CE1 4.28Å; L385-L403 HydrophobicContact CD2-CD1 3.86Å; L385-L406 HydrophobicContact CB-CD1 3.83Å; L385-L406 HydrophobicContact CB-CD2 4.37Å; L385-R408 PolarHBondContact N-O 3.33Å; L385-L409 HydrophobicContact CB-CD1 4.16Å; L385-L409 HydrophobicContact CD2-CD1 4.09Å; L385-L409 HydrophobicContact CG-CD1 4.15Å; L385-F410 PolarHBondContact O-N 3.24Å
386	H	98.7	Very high	96.1	Very high	41 Å²	41	39.2 Å²	39.2	19%	0.19	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.7	176.1	-56.8	-110.5	0	0	0	110.2	I361 N362 L363 S364 S384 F410	I361-H386 PolarHBondContact O-N 3.31Å; N362-H386 HydrophobicContact CB-CB 4.4Å; N362-H386 WeakPolarHBondContact OD1-CB 3.15Å; L363-H386 CarbonylContact C-O 3.27Å; L363-H386 WeakPolarHBondContact CA-O 3.36Å; L363-H386 WeakPolarHBondContact CB-O 3.42Å; L363-H386 PolarHBondContact N-O 2.9Å; S364-H386 WeakPolarHBondContact OG-CB 3.09Å; S384-H386 PolarHBondContact OG-NE2 3.31Å; H386-F410 AromaticContact CE1-CD2 3.31Å; H386-F410 WeakPolarHBondContact CE1-CD2 3.3Å; H386-F410 AromaticContact CE1-CE2 3.28Å; H386-F410 WeakPolarHBondContact CE1-CE2 3.18Å; H386-F410 AromaticContact CG-CD2 3.76Å; H386-F410 AromaticContact ND1-CD2 3.32Å; H386-F410 VanDerWaalsContact ND1-CD2 3.32Å; H386-F410 WeakPolarHBondContact ND1-CD2 3.34Å; H386-F410 AromaticContact ND1-CE2 3.81Å; H386-F410 AromaticContact ND1-CG 3.79Å; H386-F410 AromaticContact NE2-CD2 3.73Å; H386-F410 AromaticContact NE2-CE2 3.62Å
387	L	98	Very high	96.1	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.042	22%	0.215	C	C	.	.			trans	-133.3	18.6	178	-73.3	166	0	0	0	110.4	L363 F368 L371 L385 F400 L409 F410 L411 N414	L363-L387 HydrophobicContact CB-CD2 3.88Å; L363-L387 HydrophobicContact CD1-CD2 3.97Å; F368-L387 HydrophobicContact CD2-CD2 4.45Å; F368-L387 HydrophobicContact CE2-CD2 4.31Å; L371-L387 HydrophobicContact CD1-CD1 3.88Å; L371-L387 HydrophobicContact CD2-CD2 4.28Å; L385-L387 HydrophobicContact CD1-CD1 4.42Å; L385-L387 HydrophobicContact CD1-CG 4.25Å; L385-L387 HydrophobicContact CD2-CD1 3.79Å; L385-L387 HydrophobicContact CD2-CG 4.46Å; L385-L387 HydrophobicContact CG-CD1 3.94Å; L385-L387 HydrophobicContact CG-CG 4.1Å; L387-F400 HydrophobicContact CD1-CE1 3.83Å; L387-F400 HydrophobicContact CD1-CZ 4.4Å; L387-L409 HydrophobicContact CD1-CD1 4.47Å; L387-F410 CarbonylContact C-O 3.5Å; L387-F410 WeakPolarHBondContact CA-O 3.38Å; L387-F410 PolarHBondContact N-O 2.8Å; L387-L411 HydrophobicContact CB-CD2 3.74Å; L387-L411 HydrophobicContact CD1-CD2 4.12Å; L387-N414 PolarHBondContact O-ND2 3.32Å
388	D	98	Very high	96.1	Very high	9 Å²	9	38.8 Å²	38.8	5%	0.048	21%	0.208	C	C	.	.			trans	-75.5	169.5	-178.9	62.3	-72.7	0	0	0	113	S364 G365 G390 F410 Q412	S364-D388 CarbonylContact C-O 3.47Å; S364-D388 WeakPolarHBondContact CA-O 3.37Å; S364-D388 WeakPolarHBondContact CB-OD1 3.44Å; S364-D388 VanDerWaalsContact OG-CG 3.29Å; S364-D388 PolarHBondContact OG-OD1 3.19Å; S364-D388 PolarHBondContact OG-OD2 2.71Å; G365-D388 PolarHBondContact N-O 2.76Å; D388-G390 PolarHBondContact O-N 3.22Å; D388-F410 HydrophobicContact CB-CB 4.4Å; D388-F410 PolarHBondContact N-O 2.89Å; D388-Q412 CarbonylContact C-O 3.46Å; D388-Q412 WeakPolarHBondContact CA-O 3.12Å; D388-Q412 HydrophobicContact CB-CG 3.92Å; D388-Q412 WeakPolarHBondContact CB-O 3.24Å
389	K	96.8	Very high	96.4	Very high	83 Å²	83	35.4 Å²	35.4	36%	0.361	19%	0.187	S	C	.	.	S	Bend	trans	59	26.8	177.8	-64.8	172.1	-179.6	-177.8	0	113.8	Y341 G365 Q412 Q413	Y341-K389 PolarHBondContact OH-NZ 3.28Å; G365-K389 VanDerWaalsContact CA-O 3.29Å; G365-K389 WeakPolarHBondContact CA-O 3.38Å; K389-Q412 PolarHBondContact N-O 2.98Å; K389-Q413 CarbonylContact C-O 3.19Å; K389-Q413 WeakPolarHBondContact CA-O 3.26Å; K389-Q413 HydrophobicContact CG-CB 4.18Å; K389-Q413 PolarHBondContact N-O 2.75Å
390	G	96	Very high	96.4	Very high	15 Å²	15	35.5 Å²	35.5	16%	0.155	19%	0.187	C	C	.	.	S	Bend	trans	-108.6	-159	-172.3	0	0	0	0	0	114.5	S366 D388 Q413 N414	S366-G390 WeakPolarHBondContact O-CA 3.5Å; D388-G390 PolarHBondContact O-N 3.22Å; G390-Q413 PolarHBondContact N-O 2.97Å; G390-N414 WeakPolarHBondContact CA-OD1 3.47Å; G390-N414 PolarHBondContact N-OD1 2.98Å; G390-N414 PolarHBondContact O-OD1 3.28Å
391	C	95.8	Very high	96.5	Very high	37 Å²	37	34 Å²	34	25%	0.25	18%	0.177	C	C	.	.			trans	-115.1	13.2	-179.9	-56.2	0	0	0	0	113.4	S366 C367 F368 T393 N414	S366-C391 PolarHBondContact O-N 2.81Å; C367-C391 WeakPolarHBondContact CA-SG 3.45Å; C367-C391 HydrophobicContact CB-CB 3.87Å; C367-C391 WeakPolarHBondContact CB-SG 3.38Å; C367-C391 WeakPolarHBondContact SG-CB 3.37Å; C367-C391 CovalentContact SG-SG 2.04Å; C367-C391 PolarHBondContact SG-SG 2.98Å; F368-C391 CarbonylContact O-C 3.16Å; F368-C391 VanDerWaalsContact O-O 3.1Å; C391-T393 WeakPolarHBondContact O-CG2 3.21Å; C391-T393 PolarHBondContact O-N 2.98Å; C391-N414 PolarHBondContact N-OD1 3.16Å
392	L	96.5	Very high	96.4	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	17%	0.165	C	C	.	.			trans	-62.5	128.5	-171	-168.2	65.9	0	0	0	110.2	F368 L371 I395 L411 N414 N415 I416	F368-L392 HydrophobicContact CB-CD1 4.29Å; F368-L392 WeakPolarHBondContact O-CA 3.28Å; F368-L392 PolarHBondContact O-N 2.87Å; F368-L392 VanDerWaalsContact O-N 3.12Å; L371-L392 HydrophobicContact CD1-CD2 4.28Å; L371-L392 HydrophobicContact CG-CD1 3.98Å; L371-L392 HydrophobicContact CG-CD2 4.47Å; L392-I395 HydrophobicContact CD2-CG1 4.03Å; L392-L411 HydrophobicContact CD2-CD2 3.9Å; L392-N414 HydrophobicContact CB-CB 4.17Å; L392-N414 WeakPolarHBondContact CB-OD1 3.35Å; L392-N414 PolarHBondContact N-OD1 3Å; L392-N415 CarbonylContact O-C 3.57Å; L392-N415 VanDerWaalsContact O-CA 3.3Å; L392-N415 WeakPolarHBondContact O-CA 3.38Å; L392-N415 PolarHBondContact O-N 3.18Å; L392-I416 HydrophobicContact CB-CG1 4.1Å; L392-I416 HydrophobicContact CD2-CD1 4.1Å; L392-I416 HydrophobicContact CD2-CG1 4.2Å; L392-I416 HydrophobicContact CG-CG1 4.14Å; L392-I416 WeakPolarHBondContact O-CA 3.27Å; L392-I416 WeakPolarHBondContact O-CG1 3.46Å; L392-I416 PolarHBondContact O-N 3.1Å
393	T	96.2	Very high	96.3	Very high	36 Å²	36	29.7 Å²	29.7	22%	0.221	17%	0.165	C	C	.	.			trans	-111	-30.4	-178.5	62.6	0	0	0	0	113.3	Q369 C391 N415 I416 S417 V418	Q369-T393 PolarHBondContact O-N 3.31Å; Q369-T393 PolarHBondContact O-OG1 3.37Å; C391-T393 WeakPolarHBondContact O-CG2 3.21Å; C391-T393 PolarHBondContact O-N 2.98Å; T393-N415 WeakPolarHBondContact CA-O 3.48Å; T393-N415 HydrophobicContact CG2-CB 4.2Å; T393-I416 WeakPolarHBondContact O-CA 3.48Å; T393-S417 PolarHBondContact O-N 2.82Å; T393-V418 PolarHBondContact O-N 3.01Å
394	R	95.3	Very high	96.1	Very high	109 Å²	109	29 Å²	29	41%	0.411	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	139.9	-177.7	176.3	179.6	-99	-141	2.5	111.5	T396 V418 E420	R394-T396 HydrophobicContact CG-CG2 4.48Å; R394-V418 VanDerWaalsContact CA-O 3.28Å; R394-V418 WeakPolarHBondContact CA-O 3.19Å; R394-V418 HydrophobicContact CB-CB 4.46Å; R394-V418 HydrophobicContact CG-CB 4.28Å; R394-V418 HydrophobicContact CG-CG1 4.31Å; R394-E420 IonicContact CZ-OE1 3.49Å; R394-E420 IonicContact NE-OE1 3.93Å; R394-E420 IonicContact NH1-OE1 2.79Å; R394-E420 PolarHBondContact NH1-OE1 3.18Å
395	I	95.6	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.5	166	-57.7	176.8	0	0	0	108.4	L392 A399 F400 L411 I416 V418 V419 E420 S423 F424	L392-I395 HydrophobicContact CD2-CG1 4.03Å; I395-A399 HydrophobicContact CG2-CB 4.15Å; I395-F400 HydrophobicContact CD1-CE2 4.21Å; I395-F400 HydrophobicContact CG2-CD2 4.11Å; I395-F400 HydrophobicContact CG2-CE2 3.54Å; I395-F400 HydrophobicContact CG2-CZ 4.45Å; I395-L411 HydrophobicContact CD1-CD1 3.84Å; I395-I416 HydrophobicContact CD1-CD1 4.11Å; I395-I416 HydrophobicContact CD1-CG2 4.31Å; I395-I416 HydrophobicContact CG1-CG2 4.33Å; I395-V418 PolarHBondContact N-O 3.32Å; I395-V419 HydrophobicContact CB-CG1 4.17Å; I395-V419 HydrophobicContact CB-CG2 4.42Å; I395-V419 HydrophobicContact CD1-CG2 4.16Å; I395-V419 HydrophobicContact CG2-CG1 4.42Å; I395-E420 PolarHBondContact O-N 3.04Å; I395-S423 PolarHBondContact O-OG 2.97Å; I395-F424 HydrophobicContact CD1-CE1 4.24Å; I395-F424 HydrophobicContact CD1-CZ 3.92Å
396	T	94.9	Very high	95.9	Very high	20 Å²	20	30 Å²	30	12%	0.123	18%	0.179	C	C	.	.			trans	-90.8	160.5	177.4	58.2	0	0	0	0	111.6	D373 R394 L398 A399 E420 S423	D373-T396 WeakPolarHBondContact OD1-CB 3.37Å; D373-T396 PolarHBondContact OD1-OG1 3.5Å; R394-T396 HydrophobicContact CG-CG2 4.48Å; T396-L398 PolarHBondContact O-N 2.86Å; T396-A399 WeakPolarHBondContact O-CB 3.47Å; T396-A399 PolarHBondContact O-N 2.82Å; T396-A399 VanDerWaalsContact O-N 3.17Å; T396-A399 WeakPolarHBondContact OG1-CB 3.43Å; T396-A399 PolarHBondContact OG1-N 3.38Å; T396-E420 VanDerWaalsContact CA-OE2 3.3Å; T396-E420 WeakPolarHBondContact CA-OE2 3.43Å; T396-S423 PolarHBondContact O-OG 2.9Å
397	A	94.1	Very high	95.9	Very high	42 Å²	42	32.7 Å²	32.7	35%	0.347	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.5	179.9	0	0	0	0	0	114.1	E420	A397-E420 PolarHBondContact N-OE2 3.12Å
398	L	95.3	Very high	95.9	Very high	73 Å²	73	38 Å²	38	38%	0.382	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	6.5	-175.2	-58.7	177.6	0	0	0	114	D373 Q374 T396 F400 S401	D373-L398 HydrophobicContact CB-CB 3.8Å; Q374-L398 PolarHBondContact N-O 2.92Å; T396-L398 PolarHBondContact O-N 2.86Å; L398-F400 VanDerWaalsContact C-N 3.28Å; L398-F400 PolarHBondContact O-N 3.34Å; L398-S401 WeakPolarHBondContact O-CB 3.34Å; L398-S401 PolarHBondContact O-N 2.66Å
399	A	96.3	Very high	96	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-41.8	-179.4	0	0	0	0	0	112.6	L371 F376 I395 T396	L371-A399 HydrophobicContact CB-CB 4.16Å; L371-A399 HydrophobicContact CD1-CB 4.33Å; F376-A399 WeakPolarHBondContact CD2-O 3.36Å; I395-A399 HydrophobicContact CG2-CB 4.15Å; T396-A399 WeakPolarHBondContact O-CB 3.47Å; T396-A399 PolarHBondContact O-N 2.82Å; T396-A399 VanDerWaalsContact O-N 3.17Å; T396-A399 WeakPolarHBondContact OG1-CB 3.43Å; T396-A399 PolarHBondContact OG1-N 3.38Å
400	F	96.6	Very high	96.1	Very high	4 Å²	4	35.8 Å²	35.8	2%	0.018	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	18.8	-176.2	-57.9	-62.8	0	0	0	114	L371 F376 L385 L387 I395 L398 G402 L403 L409 L411 F424 L427	L371-F400 HydrophobicContact CD1-CE1 3.69Å; L371-F400 HydrophobicContact CD1-CZ 3.83Å; F376-F400 HydrophobicContact CD2-CD1 4.45Å; F376-F400 HydrophobicContact CE2-CD1 4.39Å; L385-F400 HydrophobicContact CD2-CD1 4.35Å; L385-F400 HydrophobicContact CD2-CE1 4.28Å; L387-F400 HydrophobicContact CD1-CE1 3.83Å; L387-F400 HydrophobicContact CD1-CZ 4.4Å; I395-F400 HydrophobicContact CD1-CE2 4.21Å; I395-F400 HydrophobicContact CG2-CD2 4.11Å; I395-F400 HydrophobicContact CG2-CE2 3.54Å; I395-F400 HydrophobicContact CG2-CZ 4.45Å; L398-F400 VanDerWaalsContact C-N 3.28Å; L398-F400 PolarHBondContact O-N 3.34Å; F400-G402 PolarHBondContact O-N 2.86Å; F400-L403 HydrophobicContact CB-CD1 4.16Å; F400-L403 HydrophobicContact CD1-CD1 4.04Å; F400-L403 WeakPolarHBondContact O-CB 3.26Å; F400-L403 PolarHBondContact O-N 3.3Å; F400-L409 HydrophobicContact CD2-CD2 4.48Å; F400-L409 HydrophobicContact CE1-CD1 4.14Å; F400-L409 HydrophobicContact CE1-CD2 4.26Å; F400-L409 HydrophobicContact CE2-CD2 4.18Å; F400-L409 HydrophobicContact CZ-CD1 4.41Å; F400-L409 HydrophobicContact CZ-CD2 4.08Å; F400-L411 HydrophobicContact CE2-CD1 4.45Å; F400-L411 HydrophobicContact CZ-CD1 4.09Å; F400-L411 HydrophobicContact CZ-CD2 4.26Å; F400-F424 AromaticContact CD2-CD1 4Å; F400-F424 HydrophobicContact CD2-CD1 4Å; F400-F424 AromaticContact CD2-CE1 3.99Å; F400-F424 HydrophobicContact CD2-CE1 3.99Å; F400-F424 HydrophobicContact CE2-CD1 4.18Å; F400-F424 AromaticContact CE2-CE1 3.69Å; F400-F424 HydrophobicContact CE2-CE1 3.69Å; F400-L427 HydrophobicContact CB-CD1 4.25Å; F400-L427 HydrophobicContact CB-CD2 3.97Å; F400-L427 HydrophobicContact CB-CG 4.25Å; F400-L427 HydrophobicContact CD2-CD1 4.42Å; F400-L427 HydrophobicContact CG-CD1 4.39Å
401	S	94.3	Very high	96.2	Very high	39 Å²	39	35 Å²	35	27%	0.273	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	134.1	-179.9	-169.4	0	0	0	0	111.9	F376 K377 L398	F376-S401 CarbonylContact C-O 3.45Å; K377-S401 WeakPolarHBondContact CA-O 3.41Å; K377-S401 PolarHBondContact N-O 2.98Å; L398-S401 WeakPolarHBondContact O-CB 3.34Å; L398-S401 PolarHBondContact O-N 2.66Å
402	G	92.3	Very high	96.3	Very high	25 Å²	25	34.7 Å²	34.7	26%	0.258	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-5.9	180	0	0	0	0	0	115.8	F400 S404	F400-G402 PolarHBondContact O-N 2.86Å; G402-S404 VanDerWaalsContact C-N 3.3Å; G402-S404 PolarHBondContact O-N 3Å
403	L	96.4	Very high	96.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.			trans	-88.6	43.6	-177.9	-66.2	-178.3	0	0	0	113.9	F376 L379 L382 L385 F400 G405 L406 L427	F376-L403 HydrophobicContact CB-CD1 3.91Å; F376-L403 HydrophobicContact CB-CD2 3.8Å; F376-L403 HydrophobicContact CB-CG 3.8Å; F376-L403 HydrophobicContact CD2-CD1 4.05Å; F376-L403 HydrophobicContact CG-CD1 4.08Å; L379-L403 HydrophobicContact CB-CD2 3.79Å; L382-L403 HydrophobicContact CB-CD2 4.06Å; L382-L403 HydrophobicContact CD2-CD2 3.66Å; L382-L403 HydrophobicContact CG-CD2 4.48Å; L385-L403 HydrophobicContact CD2-CD1 3.86Å; F400-L403 HydrophobicContact CB-CD1 4.16Å; F400-L403 HydrophobicContact CD1-CD1 4.04Å; F400-L403 WeakPolarHBondContact O-CB 3.26Å; F400-L403 PolarHBondContact O-N 3.3Å; L403-G405 PolarHBondContact O-N 3.47Å; L403-L406 HydrophobicContact CB-CB 4.14Å; L403-L406 HydrophobicContact CB-CD2 4.44Å; L403-L406 HydrophobicContact CD1-CD2 4.17Å; L403-L406 VanDerWaalsContact O-CB 3.29Å; L403-L406 WeakPolarHBondContact O-CB 3.37Å; L403-L406 PolarHBondContact O-N 3.07Å; L403-L406 VanDerWaalsContact O-N 3.14Å; L403-L427 HydrophobicContact CB-CD2 3.52Å; L403-L427 WeakPolarHBondContact O-CD2 3.06Å
404	S	93.8	Very high	96.4	Very high	62 Å²	62	38.3 Å²	38.3	43%	0.434	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.4	-177.5	58	0	0	0	0	114.1	G402 G429	G402-S404 VanDerWaalsContact C-N 3.3Å; G402-S404 PolarHBondContact O-N 3Å; S404-G429 PolarHBondContact O-N 3.4Å
405	G	95.3	Very high	96.5	Very high	21 Å²	21	35.8 Å²	35.8	22%	0.216	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.1	175.2	0	0	0	0	0	115.1	S380 L382 L403 R407	S380-G405 WeakPolarHBondContact O-CA 3.44Å; L382-G405 CarbonylContact O-C 3.42Å; L403-G405 PolarHBondContact O-N 3.47Å; G405-R407 PolarHBondContact O-N 2.97Å; G405-R407 PolarHBondContact O-NH1 2.89Å
406	L	98.2	Very high	96.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.			trans	-61.5	136	-173.4	-163.8	70.3	0	0	0	111.2	L382 L385 L403 L409 L427 G429 L430	L382-L406 HydrophobicContact CB-CD1 4.4Å; L382-L406 HydrophobicContact CD2-CD1 3.96Å; L382-L406 HydrophobicContact CG-CD1 3.9Å; L382-L406 WeakPolarHBondContact O-CA 3.48Å; L382-L406 PolarHBondContact O-N 3.31Å; L385-L406 HydrophobicContact CB-CD1 3.83Å; L385-L406 HydrophobicContact CB-CD2 4.37Å; L403-L406 HydrophobicContact CB-CB 4.14Å; L403-L406 HydrophobicContact CB-CD2 4.44Å; L403-L406 HydrophobicContact CD1-CD2 4.17Å; L403-L406 VanDerWaalsContact O-CB 3.29Å; L403-L406 WeakPolarHBondContact O-CB 3.37Å; L403-L406 PolarHBondContact O-N 3.07Å; L403-L406 VanDerWaalsContact O-N 3.14Å; L406-L409 HydrophobicContact CD2-CB 3.98Å; L406-L409 HydrophobicContact CD2-CD1 4.42Å; L406-L409 HydrophobicContact CD2-CD2 4.45Å; L406-L427 HydrophobicContact CB-CD2 4.31Å; L406-L427 HydrophobicContact CD2-CD2 3.97Å; L406-G429 CarbonylContact O-C 3.59Å; L406-G429 VanDerWaalsContact O-O 3.14Å; L406-L430 HydrophobicContact CB-CD1 4.47Å; L406-L430 HydrophobicContact CD2-CD1 4Å; L406-L430 HydrophobicContact CG-CD1 4.03Å; L406-L430 VanDerWaalsContact O-CA 3.31Å; L406-L430 WeakPolarHBondContact O-CA 3.31Å; L406-L430 PolarHBondContact O-N 2.95Å; L406-L430 VanDerWaalsContact O-N 3.12Å
407	R	98.4	Very high	96.5	Very high	99 Å²	99	37.7 Å²	37.7	37%	0.374	21%	0.208	S	C	.	.			trans	-112.4	-35.4	178.6	-66.9	-61.2	-174.3	-94.3	4.4	112.2	H383 G405 G429 V431 G432	H383-R407 WeakPolarHBondContact ND1-CG 3.38Å; H383-R407 WeakPolarHBondContact O-CA 3.41Å; H383-R407 PolarHBondContact O-N 3.14Å; G405-R407 PolarHBondContact O-N 2.97Å; G405-R407 PolarHBondContact O-NH1 2.89Å; R407-G429 WeakPolarHBondContact CD-O 3.21Å; R407-G429 PolarHBondContact NH1-O 3.23Å; R407-V431 PolarHBondContact O-N 3.25Å; R407-G432 PolarHBondContact O-N 2.72Å
408	R	98.6	Very high	96.5	Very high	119 Å²	119	38.4 Å²	38.4	45%	0.449	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.4	-179	-68.5	-175.7	-77.3	169	-3.2	111.1	H383 S384 L385 F410 G432	H383-R408 PolarHBondContact NE2-NH2 3.17Å; H383-R408 PolarHBondContact O-N 3.35Å; S384-R408 WeakPolarHBondContact CA-O 3.5Å; L385-R408 PolarHBondContact N-O 3.33Å; R408-F410 HydrophobicContact CB-CE2 3.74Å; R408-F410 HydrophobicContact CB-CZ 4.09Å; R408-G432 WeakPolarHBondContact CA-O 3.19Å
409	L	98.7	Very high	96.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	119	177.4	177.5	55.3	0	0	0	109.2	L385 L387 F400 L406 L411 F424 L427 L430 G432 L433 D434	L385-L409 HydrophobicContact CB-CD1 4.16Å; L385-L409 HydrophobicContact CD2-CD1 4.09Å; L385-L409 HydrophobicContact CG-CD1 4.15Å; L387-L409 HydrophobicContact CD1-CD1 4.47Å; F400-L409 HydrophobicContact CD2-CD2 4.48Å; F400-L409 HydrophobicContact CE1-CD1 4.14Å; F400-L409 HydrophobicContact CE1-CD2 4.26Å; F400-L409 HydrophobicContact CE2-CD2 4.18Å; F400-L409 HydrophobicContact CZ-CD1 4.41Å; F400-L409 HydrophobicContact CZ-CD2 4.08Å; L406-L409 HydrophobicContact CD2-CB 3.98Å; L406-L409 HydrophobicContact CD2-CD1 4.42Å; L406-L409 HydrophobicContact CD2-CD2 4.45Å; L409-L411 HydrophobicContact CD1-CD1 4.27Å; L409-L411 HydrophobicContact CD1-CG 4.09Å; L409-L411 HydrophobicContact CD2-CD1 3.87Å; L409-L411 HydrophobicContact CG-CD1 3.88Å; L409-L411 HydrophobicContact CG-CG 4.07Å; L409-F424 HydrophobicContact CD2-CE1 4.24Å; L409-L427 HydrophobicContact CD2-CD1 3.77Å; L409-L430 HydrophobicContact CB-CD1 3.8Å; L409-L430 HydrophobicContact CB-CD2 4.42Å; L409-G432 PolarHBondContact N-O 2.84Å; L409-L433 HydrophobicContact CB-CD1 4.02Å; L409-L433 HydrophobicContact CD2-CD1 3.89Å; L409-L433 HydrophobicContact CG-CD1 3.9Å; L409-D434 PolarHBondContact O-N 2.85Å
410	F	98.6	Very high	96.3	Very high	44 Å²	44	38.8 Å²	38.8	19%	0.193	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.6	-179.6	-58.7	-84.9	0	0	0	109.5	S384 L385 H386 L387 D388 R408 D434	S384-F410 WeakPolarHBondContact OG-CE2 3.44Å; L385-F410 PolarHBondContact O-N 3.24Å; H386-F410 AromaticContact CE1-CD2 3.31Å; H386-F410 WeakPolarHBondContact CE1-CD2 3.3Å; H386-F410 AromaticContact CE1-CE2 3.28Å; H386-F410 WeakPolarHBondContact CE1-CE2 3.18Å; H386-F410 AromaticContact CG-CD2 3.76Å; H386-F410 AromaticContact ND1-CD2 3.32Å; H386-F410 VanDerWaalsContact ND1-CD2 3.32Å; H386-F410 WeakPolarHBondContact ND1-CD2 3.34Å; H386-F410 AromaticContact ND1-CE2 3.81Å; H386-F410 AromaticContact ND1-CG 3.79Å; H386-F410 AromaticContact NE2-CD2 3.73Å; H386-F410 AromaticContact NE2-CE2 3.62Å; L387-F410 CarbonylContact C-O 3.5Å; L387-F410 WeakPolarHBondContact CA-O 3.38Å; L387-F410 PolarHBondContact N-O 2.8Å; D388-F410 HydrophobicContact CB-CB 4.4Å; D388-F410 PolarHBondContact N-O 2.89Å; R408-F410 HydrophobicContact CB-CE2 3.74Å; R408-F410 HydrophobicContact CB-CZ 4.09Å; F410-D434 HydrophobicContact CD1-CB 4.26Å
411	L	98.2	Very high	96	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.			trans	-130.3	9.4	-178.2	-72.1	165.8	0	0	0	111.7	L387 L392 I395 F400 L409 N414 I416 F424 L433 D434 L435 N438	L387-L411 HydrophobicContact CB-CD2 3.74Å; L387-L411 HydrophobicContact CD1-CD2 4.12Å; L392-L411 HydrophobicContact CD2-CD2 3.9Å; I395-L411 HydrophobicContact CD1-CD1 3.84Å; F400-L411 HydrophobicContact CE2-CD1 4.45Å; F400-L411 HydrophobicContact CZ-CD1 4.09Å; F400-L411 HydrophobicContact CZ-CD2 4.26Å; L409-L411 HydrophobicContact CD1-CD1 4.27Å; L409-L411 HydrophobicContact CD1-CG 4.09Å; L409-L411 HydrophobicContact CD2-CD1 3.87Å; L409-L411 HydrophobicContact CG-CD1 3.88Å; L409-L411 HydrophobicContact CG-CG 4.07Å; L411-N414 PolarHBondContact O-ND2 3.01Å; L411-I416 HydrophobicContact CB-CD1 4.02Å; L411-I416 HydrophobicContact CD2-CD1 4.34Å; L411-F424 HydrophobicContact CD1-CE1 4.45Å; L411-L433 HydrophobicContact CD1-CD1 4.27Å; L411-D434 CarbonylContact C-O 3.22Å; L411-D434 WeakPolarHBondContact CA-O 3.5Å; L411-D434 WeakPolarHBondContact CB-O 3.2Å; L411-D434 PolarHBondContact N-O 3.25Å; L411-L435 HydrophobicContact CB-CD2 3.87Å; L411-L435 HydrophobicContact CD1-CD2 3.72Å; L411-L435 HydrophobicContact CG-CD2 4.47Å; L411-N438 PolarHBondContact O-ND2 3.17Å
412	Q	97.9	Very high	95.9	Very high	30 Å²	30	45.2 Å²	45.2	14%	0.14	24%	0.238	C	C	.	.			trans	-64.8	158.4	-178.6	70.8	-77.9	5.9	0	0	112.8	D388 K389 N414 D434 S436	D388-Q412 CarbonylContact C-O 3.46Å; D388-Q412 WeakPolarHBondContact CA-O 3.12Å; D388-Q412 HydrophobicContact CB-CG 3.92Å; D388-Q412 WeakPolarHBondContact CB-O 3.24Å; K389-Q412 PolarHBondContact N-O 2.98Å; Q412-N414 VanDerWaalsContact C-N 3.28Å; Q412-N414 PolarHBondContact O-N 2.85Å; Q412-N414 PolarHBondContact O-ND2 3.09Å; Q412-D434 PolarHBondContact N-O 3.37Å; Q412-D434 PolarHBondContact OE1-OD2 2.95Å; Q412-S436 CarbonylContact C-O 3.05Å; Q412-S436 WeakPolarHBondContact CA-O 3.15Å; Q412-S436 WeakPolarHBondContact CB-O 3.31Å
413	Q	97.3	Very high	96	Very high	99 Å²	99	44.2 Å²	44.2	46%	0.463	23%	0.227	S	C	.	.	S	Bend	trans	56.3	42.7	177.8	-59	-179.5	-16.1	0	0	112.3	K389 G390 S436 S437	K389-Q413 CarbonylContact C-O 3.19Å; K389-Q413 WeakPolarHBondContact CA-O 3.26Å; K389-Q413 HydrophobicContact CG-CB 4.18Å; K389-Q413 PolarHBondContact N-O 2.75Å; G390-Q413 PolarHBondContact N-O 2.97Å; Q413-S436 PolarHBondContact N-O 3.47Å; Q413-S437 VanDerWaalsContact CA-O 3.29Å; Q413-S437 WeakPolarHBondContact CA-O 3.34Å; Q413-S437 PolarHBondContact N-O 3.05Å
414	N	97.7	Very high	95.9	Very high	17 Å²	17	44.2 Å²	44.2	9%	0.091	23%	0.227	C	C	.	.	S	Bend	trans	-110.3	-162.4	168.5	-83.9	-81.2	0	0	0	109.5	L387 G390 C391 L392 L411 Q412 I416 S437 N438	L387-N414 PolarHBondContact O-ND2 3.32Å; G390-N414 WeakPolarHBondContact CA-OD1 3.47Å; G390-N414 PolarHBondContact N-OD1 2.98Å; G390-N414 PolarHBondContact O-OD1 3.28Å; C391-N414 PolarHBondContact N-OD1 3.16Å; L392-N414 HydrophobicContact CB-CB 4.17Å; L392-N414 WeakPolarHBondContact CB-OD1 3.35Å; L392-N414 PolarHBondContact N-OD1 3Å; L411-N414 PolarHBondContact O-ND2 3.01Å; Q412-N414 VanDerWaalsContact C-N 3.28Å; Q412-N414 PolarHBondContact O-N 2.85Å; Q412-N414 PolarHBondContact O-ND2 3.09Å; N414-I416 HydrophobicContact CB-CD1 4.02Å; N414-I416 HydrophobicContact CB-CG1 3.91Å; N414-S437 PolarHBondContact N-O 3.44Å; N414-N438 WeakPolarHBondContact CA-OD1 3.47Å; N414-N438 WeakPolarHBondContact CB-OD1 3.43Å; N414-N438 PolarHBondContact N-OD1 3.29Å; N414-N438 PolarHBondContact O-OD1 3.46Å
415	N	96.9	Very high	95.9	Very high	56 Å²	56	45.1 Å²	45.1	30%	0.299	23%	0.225	S	C	.	.			trans	-120.6	30.6	178.1	-165	61.8	0	0	0	111.2	L392 T393 S417 N438 K439	L392-N415 CarbonylContact O-C 3.57Å; L392-N415 VanDerWaalsContact O-CA 3.3Å; L392-N415 WeakPolarHBondContact O-CA 3.38Å; L392-N415 PolarHBondContact O-N 3.18Å; T393-N415 WeakPolarHBondContact CA-O 3.48Å; T393-N415 HydrophobicContact CG2-CB 4.2Å; N415-S417 PolarHBondContact O-N 3.09Å; N415-N438 PolarHBondContact N-OD1 3.38Å; N415-K439 WeakPolarHBondContact OD1-CD 3.21Å; N415-K439 WeakPolarHBondContact OD1-CE 3.34Å; N415-K439 PolarHBondContact OD1-NZ 3.21Å
416	I	96.8	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.			trans	-69.7	117.2	-169.9	-59.3	160.9	0	0	0	108.6	L392 T393 I395 L411 N414 V419 L435 N438 K439 M440	L392-I416 HydrophobicContact CB-CG1 4.1Å; L392-I416 HydrophobicContact CD2-CD1 4.1Å; L392-I416 HydrophobicContact CD2-CG1 4.2Å; L392-I416 HydrophobicContact CG-CG1 4.14Å; L392-I416 WeakPolarHBondContact O-CA 3.27Å; L392-I416 WeakPolarHBondContact O-CG1 3.46Å; L392-I416 PolarHBondContact O-N 3.1Å; T393-I416 WeakPolarHBondContact O-CA 3.48Å; I395-I416 HydrophobicContact CD1-CD1 4.11Å; I395-I416 HydrophobicContact CD1-CG2 4.31Å; I395-I416 HydrophobicContact CG1-CG2 4.33Å; L411-I416 HydrophobicContact CB-CD1 4.02Å; L411-I416 HydrophobicContact CD2-CD1 4.34Å; N414-I416 HydrophobicContact CB-CD1 4.02Å; N414-I416 HydrophobicContact CB-CG1 3.91Å; I416-V419 HydrophobicContact CG2-CG2 3.85Å; I416-L435 HydrophobicContact CD1-CD2 4.37Å; I416-N438 HydrophobicContact CB-CB 4.23Å; I416-N438 WeakPolarHBondContact CB-OD1 3.14Å; I416-N438 WeakPolarHBondContact CD1-OD1 3.3Å; I416-N438 WeakPolarHBondContact CG1-OD1 3.47Å; I416-N438 PolarHBondContact N-OD1 3.44Å; I416-K439 CarbonylContact O-C 2.97Å; I416-K439 WeakPolarHBondContact O-CA 3.35Å; I416-K439 PolarHBondContact O-N 3.12Å; I416-M440 HydrophobicContact CG2-CG 4.29Å; I416-M440 HydrophobicContact CG2-SD 4.42Å; I416-M440 WeakPolarHBondContact O-CG 3.46Å; I416-M440 PolarHBondContact O-N 3.48Å
417	S	94.9	Very high	95.6	Very high	61 Å²	61	46 Å²	46	43%	0.427	23%	0.234	S	C	.	.			trans	-115.7	-22.8	174.5	60.3	0	0	0	0	112.9	T393 N415 K439	T393-S417 PolarHBondContact O-N 2.82Å; N415-S417 PolarHBondContact O-N 3.09Å; S417-K439 WeakPolarHBondContact CA-O 3.22Å; S417-K439 WeakPolarHBondContact CB-O 3.5Å
418	V	93.1	Very high	95.4	Very high	57 Å²	57	44.6 Å²	44.6	35%	0.345	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.5	-178.9	-177.4	0	0	0	0	110.6	T393 R394 I395	T393-V418 PolarHBondContact O-N 3.01Å; R394-V418 VanDerWaalsContact CA-O 3.28Å; R394-V418 WeakPolarHBondContact CA-O 3.19Å; R394-V418 HydrophobicContact CB-CB 4.46Å; R394-V418 HydrophobicContact CG-CB 4.28Å; R394-V418 HydrophobicContact CG-CG1 4.31Å; I395-V418 PolarHBondContact N-O 3.32Å
419	V	94.2	Very high	95.3	Very high	22 Å²	22	39.3 Å²	39.3	13%	0.133	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	117.7	167.4	-174.2	0	0	0	0	107.2	I395 I416 F424 M440 T447	I395-V419 HydrophobicContact CB-CG1 4.17Å; I395-V419 HydrophobicContact CB-CG2 4.42Å; I395-V419 HydrophobicContact CD1-CG2 4.16Å; I395-V419 HydrophobicContact CG2-CG1 4.42Å; I416-V419 HydrophobicContact CG2-CG2 3.85Å; V419-F424 HydrophobicContact CG1-CE2 3.88Å; V419-F424 HydrophobicContact CG1-CZ 4.18Å; V419-M440 HydrophobicContact CG2-SD 4.11Å; V419-T447 HydrophobicContact CB-CG2 4.01Å; V419-T447 HydrophobicContact CG1-CG2 3.63Å
420	E	93.3	Very high	95.3	Very high	59 Å²	59	39.3 Å²	39.3	28%	0.276	22%	0.219	S	C	.	.			trans	-67.9	153.2	177.9	-70	175.4	-173.2	0	0	111.1	R394 I395 T396 A397 Q422 S423	R394-E420 IonicContact CZ-OE1 3.49Å; R394-E420 IonicContact NE-OE1 3.93Å; R394-E420 IonicContact NH1-OE1 2.79Å; R394-E420 PolarHBondContact NH1-OE1 3.18Å; I395-E420 PolarHBondContact O-N 3.04Å; T396-E420 VanDerWaalsContact CA-OE2 3.3Å; T396-E420 WeakPolarHBondContact CA-OE2 3.43Å; A397-E420 PolarHBondContact N-OE2 3.12Å; E420-Q422 PolarHBondContact O-N 2.99Å; E420-S423 PolarHBondContact N-OG 2.81Å; E420-S423 VanDerWaalsContact O-CB 3.3Å; E420-S423 WeakPolarHBondContact O-CB 3.31Å; E420-S423 PolarHBondContact O-N 3.47Å; E420-S423 PolarHBondContact O-OG 3.33Å
421	D	91.5	Very high	95.3	Very high	88 Å²	88	39.2 Å²	39.2	47%	0.471	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	140.7	175	-72.2	-22.2	0	0	0	110.5	S423 T444 Q446	D421-S423 PolarHBondContact O-N 3.24Å; D421-S423 VanDerWaalsContact O-N 3.16Å; D421-T444 PolarHBondContact OD1-OG1 3.19Å; D421-T444 VanDerWaalsContact OD1-OG1 3.04Å; D421-Q446 HydrophobicContact CB-CB 3.89Å; D421-Q446 WeakPolarHBondContact OD1-CB 3.38Å
422	Q	91.3	Very high	95.3	Very high	89 Å²	89	39.8 Å²	39.8	42%	0.416	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	10.3	177.8	-48.2	-179.3	-15.4	0	0	115.5	E420 F424 M425 Q446	E420-Q422 PolarHBondContact O-N 2.99Å; Q422-F424 PolarHBondContact O-N 2.79Å; Q422-M425 HydrophobicContact CB-CB 4.11Å; Q422-M425 HydrophobicContact CB-CE 3.88Å; Q422-M425 HydrophobicContact CB-SD 4.49Å; Q422-M425 HydrophobicContact CG-CE 3.61Å; Q422-M425 VanDerWaalsContact O-CB 3.24Å; Q422-M425 WeakPolarHBondContact O-CB 3.14Å; Q422-M425 PolarHBondContact O-N 3.43Å; Q422-Q446 PolarHBondContact N-O 3.31Å
423	S	94	Very high	95.3	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-28.1	176.5	-67.4	0	0	0	0	114.9	I395 T396 E420 D421	I395-S423 PolarHBondContact O-OG 2.97Å; T396-S423 PolarHBondContact O-OG 2.9Å; E420-S423 PolarHBondContact N-OG 2.81Å; E420-S423 VanDerWaalsContact O-CB 3.3Å; E420-S423 WeakPolarHBondContact O-CB 3.31Å; E420-S423 PolarHBondContact O-N 3.47Å; E420-S423 PolarHBondContact O-OG 3.33Å; D421-S423 PolarHBondContact O-N 3.24Å; D421-S423 VanDerWaalsContact O-N 3.16Å
424	F	95.3	Very high	95.3	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	5.1	179.7	-56.3	-56.5	0	0	0	114.1	I395 F400 L409 L411 V419 Q422 G426 L427 L433 T447 F448 L451	I395-F424 HydrophobicContact CD1-CE1 4.24Å; I395-F424 HydrophobicContact CD1-CZ 3.92Å; F400-F424 AromaticContact CD2-CD1 4Å; F400-F424 HydrophobicContact CD2-CD1 4Å; F400-F424 AromaticContact CD2-CE1 3.99Å; F400-F424 HydrophobicContact CD2-CE1 3.99Å; F400-F424 HydrophobicContact CE2-CD1 4.18Å; F400-F424 AromaticContact CE2-CE1 3.69Å; F400-F424 HydrophobicContact CE2-CE1 3.69Å; L409-F424 HydrophobicContact CD2-CE1 4.24Å; L411-F424 HydrophobicContact CD1-CE1 4.45Å; V419-F424 HydrophobicContact CG1-CE2 3.88Å; V419-F424 HydrophobicContact CG1-CZ 4.18Å; Q422-F424 PolarHBondContact O-N 2.79Å; F424-G426 VanDerWaalsContact C-N 3.25Å; F424-G426 PolarHBondContact O-N 3.13Å; F424-G426 VanDerWaalsContact O-N 3.14Å; F424-L427 HydrophobicContact CB-CD1 4.29Å; F424-L427 HydrophobicContact CD1-CD1 3.73Å; F424-L427 HydrophobicContact CG-CD1 4.45Å; F424-L427 WeakPolarHBondContact O-CB 3.35Å; F424-L427 PolarHBondContact O-N 3.07Å; F424-L433 HydrophobicContact CE2-CD2 4.35Å; F424-L433 HydrophobicContact CZ-CD2 4.4Å; F424-T447 HydrophobicContact CD2-CG2 4.46Å; F424-T447 VanDerWaalsContact CD2-O 3.29Å; F424-T447 WeakPolarHBondContact CD2-O 3.47Å; F424-T447 HydrophobicContact CE2-CG2 4.21Å; F424-F448 HydrophobicContact CD2-CD1 4.27Å; F424-F448 HydrophobicContact CE2-CD1 4.46Å; F424-F448 HydrophobicContact CE2-CE1 4.42Å; F424-L451 HydrophobicContact CB-CD1 3.93Å; F424-L451 HydrophobicContact CB-CD2 3.88Å; F424-L451 HydrophobicContact CB-CG 3.89Å; F424-L451 HydrophobicContact CD2-CD1 4.27Å; F424-L451 HydrophobicContact CG-CD1 4.27Å
425	M	93	Very high	95.3	Very high	80 Å²	80	34 Å²	34	39%	0.394	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-35.9	-172	-179.5	-179.2	-80.7	0	0	113.6	Q422 L427 S449	Q422-M425 HydrophobicContact CB-CB 4.11Å; Q422-M425 HydrophobicContact CB-CE 3.88Å; Q422-M425 HydrophobicContact CB-SD 4.49Å; Q422-M425 HydrophobicContact CG-CE 3.61Å; Q422-M425 VanDerWaalsContact O-CB 3.24Å; Q422-M425 WeakPolarHBondContact O-CB 3.14Å; Q422-M425 PolarHBondContact O-N 3.43Å; M425-L427 VanDerWaalsContact C-N 3.29Å; M425-L427 PolarHBondContact O-N 2.71Å; M425-S449 VanDerWaalsContact CA-O 3.26Å; M425-S449 WeakPolarHBondContact CA-O 3.3Å; M425-S449 PolarHBondContact N-O 2.76Å
426	G	91.4	Very high	95.3	Very high	39 Å²	39	31.6 Å²	31.6	40%	0.402	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-11.8	179.1	0	0	0	0	0	115	F424 V428	F424-G426 VanDerWaalsContact C-N 3.25Å; F424-G426 PolarHBondContact O-N 3.13Å; F424-G426 VanDerWaalsContact O-N 3.14Å; G426-V428 PolarHBondContact O-N 3.27Å
427	L	96.6	Very high	95.4	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.202	C	C	.	.			trans	-86.4	45.8	-174.2	-59.1	-175.1	0	0	0	112.3	F400 L403 L406 L409 F424 M425 G429 L430 L451	F400-L427 HydrophobicContact CB-CD1 4.25Å; F400-L427 HydrophobicContact CB-CD2 3.97Å; F400-L427 HydrophobicContact CB-CG 4.25Å; F400-L427 HydrophobicContact CD2-CD1 4.42Å; F400-L427 HydrophobicContact CG-CD1 4.39Å; L403-L427 HydrophobicContact CB-CD2 3.52Å; L403-L427 WeakPolarHBondContact O-CD2 3.06Å; L406-L427 HydrophobicContact CB-CD2 4.31Å; L406-L427 HydrophobicContact CD2-CD2 3.97Å; L409-L427 HydrophobicContact CD2-CD1 3.77Å; F424-L427 HydrophobicContact CB-CD1 4.29Å; F424-L427 HydrophobicContact CD1-CD1 3.73Å; F424-L427 HydrophobicContact CG-CD1 4.45Å; F424-L427 WeakPolarHBondContact O-CB 3.35Å; F424-L427 PolarHBondContact O-N 3.07Å; M425-L427 VanDerWaalsContact C-N 3.29Å; M425-L427 PolarHBondContact O-N 2.71Å; L427-G429 PolarHBondContact O-N 2.95Å; L427-G429 VanDerWaalsContact O-N 3.09Å; L427-L430 HydrophobicContact CB-CB 4.07Å; L427-L430 HydrophobicContact CB-CD2 4.36Å; L427-L430 HydrophobicContact CD1-CD2 4.01Å; L427-L430 VanDerWaalsContact O-CB 3.24Å; L427-L430 WeakPolarHBondContact O-CB 3.28Å; L427-L430 PolarHBondContact O-N 3Å; L427-L451 HydrophobicContact CB-CD2 3.81Å
428	V	94.3	Very high	95.5	Very high	70 Å²	70	31 Å²	31	42%	0.424	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-27.8	-175.6	-72.8	0	0	0	0	113.7	G426 N453	G426-V428 PolarHBondContact O-N 3.27Å; V428-N453 PolarHBondContact O-ND2 3Å
429	G	96.1	Very high	95.7	Very high	8 Å²	8	32.7 Å²	32.7	8%	0.082	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-9	177.9	0	0	0	0	0	115.2	S404 L406 R407 L427 V431	S404-G429 PolarHBondContact O-N 3.4Å; L406-G429 CarbonylContact O-C 3.59Å; L406-G429 VanDerWaalsContact O-O 3.14Å; R407-G429 WeakPolarHBondContact CD-O 3.21Å; R407-G429 PolarHBondContact NH1-O 3.23Å; L427-G429 PolarHBondContact O-N 2.95Å; L427-G429 VanDerWaalsContact O-N 3.09Å; G429-V431 PolarHBondContact O-N 3.36Å
430	L	98.3	Very high	95.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.181	C	C	.	.			trans	-66.6	131	-166	-164	71.1	0	0	0	111.7	L406 L409 L427 L433 L451 N453 L454	L406-L430 HydrophobicContact CB-CD1 4.47Å; L406-L430 HydrophobicContact CD2-CD1 4Å; L406-L430 HydrophobicContact CG-CD1 4.03Å; L406-L430 VanDerWaalsContact O-CA 3.31Å; L406-L430 WeakPolarHBondContact O-CA 3.31Å; L406-L430 PolarHBondContact O-N 2.95Å; L406-L430 VanDerWaalsContact O-N 3.12Å; L409-L430 HydrophobicContact CB-CD1 3.8Å; L409-L430 HydrophobicContact CB-CD2 4.42Å; L427-L430 HydrophobicContact CB-CB 4.07Å; L427-L430 HydrophobicContact CB-CD2 4.36Å; L427-L430 HydrophobicContact CD1-CD2 4.01Å; L427-L430 VanDerWaalsContact O-CB 3.24Å; L427-L430 WeakPolarHBondContact O-CB 3.28Å; L427-L430 PolarHBondContact O-N 3Å; L430-L433 HydrophobicContact CD2-CB 3.99Å; L430-L433 HydrophobicContact CD2-CD1 4.42Å; L430-L433 HydrophobicContact CD2-CD2 4.42Å; L430-L451 HydrophobicContact CB-CD2 4.06Å; L430-L451 HydrophobicContact CD2-CD2 3.78Å; L430-N453 CarbonylContact O-C 3.01Å; L430-L454 HydrophobicContact CB-CD1 4.47Å; L430-L454 HydrophobicContact CD2-CD1 4Å; L430-L454 HydrophobicContact CG-CD1 4.01Å; L430-L454 WeakPolarHBondContact O-CA 3.38Å; L430-L454 PolarHBondContact O-N 3.01Å
431	V	98.3	Very high	95.6	Very high	42 Å²	42	33.8 Å²	33.8	26%	0.255	19%	0.19	S	C	.	.			trans	-110.2	-38.9	-179.2	176.6	0	0	0	0	110.7	R407 G429 E455 Y456	R407-V431 PolarHBondContact O-N 3.25Å; G429-V431 PolarHBondContact O-N 3.36Å; V431-E455 HydrophobicContact CG1-CB 4.03Å; V431-E455 HydrophobicContact CG1-CG 4.18Å; V431-E455 PolarHBondContact O-N 3.27Å; V431-Y456 HydrophobicContact CG1-CD2 4.21Å; V431-Y456 HydrophobicContact CG1-CE2 4.4Å; V431-Y456 PolarHBondContact O-N 3.15Å
432	G	98.4	Very high	95.2	Very high	13 Å²	13	34.2 Å²	34.2	13%	0.134	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.5	178.4	0	0	0	0	0	112.5	R407 R408 L409 Y456	R407-G432 PolarHBondContact O-N 2.72Å; R408-G432 WeakPolarHBondContact CA-O 3.19Å; L409-G432 PolarHBondContact N-O 2.84Å; G432-Y456 WeakPolarHBondContact CA-O 3.17Å
433	L	98.4	Very high	94.7	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.9	174.9	177.9	56.2	0	0	0	109.5	L409 L411 F424 L430 L435 F448 L451 L454 Y456 L457 L458	L409-L433 HydrophobicContact CB-CD1 4.02Å; L409-L433 HydrophobicContact CD2-CD1 3.89Å; L409-L433 HydrophobicContact CG-CD1 3.9Å; L411-L433 HydrophobicContact CD1-CD1 4.27Å; F424-L433 HydrophobicContact CE2-CD2 4.35Å; F424-L433 HydrophobicContact CZ-CD2 4.4Å; L430-L433 HydrophobicContact CD2-CB 3.99Å; L430-L433 HydrophobicContact CD2-CD1 4.42Å; L430-L433 HydrophobicContact CD2-CD2 4.42Å; L433-L435 HydrophobicContact CD1-CD1 4.43Å; L433-L435 HydrophobicContact CD1-CD2 4.5Å; L433-L435 HydrophobicContact CD1-CG 4.1Å; L433-L435 HydrophobicContact CD2-CD1 3.86Å; L433-L435 HydrophobicContact CD2-CG 4.4Å; L433-L435 HydrophobicContact CG-CD1 4.01Å; L433-L435 HydrophobicContact CG-CG 4.04Å; L433-F448 HydrophobicContact CD2-CD1 4.43Å; L433-F448 HydrophobicContact CD2-CE1 4.16Å; L433-L451 HydrophobicContact CD2-CD1 4.06Å; L433-L454 HydrophobicContact CB-CD1 3.78Å; L433-L454 HydrophobicContact CB-CD2 4.45Å; L433-Y456 PolarHBondContact N-O 3.06Å; L433-L457 HydrophobicContact CB-CD1 4.13Å; L433-L457 HydrophobicContact CD2-CD1 4.02Å; L433-L457 HydrophobicContact CG-CD1 4.06Å; L433-L457 WeakPolarHBondContact O-CA 3.16Å; L433-L458 PolarHBondContact O-N 3.37Å
434	D	98.3	Very high	94.3	Very high	21 Å²	21	33 Å²	33	11%	0.112	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	114.7	174.5	-168.8	-4.2	0	0	0	110.9	L409 F410 L411 Q412 S436 L458	L409-D434 PolarHBondContact O-N 2.85Å; F410-D434 HydrophobicContact CD1-CB 4.26Å; L411-D434 CarbonylContact C-O 3.22Å; L411-D434 WeakPolarHBondContact CA-O 3.5Å; L411-D434 WeakPolarHBondContact CB-O 3.2Å; L411-D434 PolarHBondContact N-O 3.25Å; Q412-D434 PolarHBondContact N-O 3.37Å; Q412-D434 PolarHBondContact OE1-OD2 2.95Å; D434-S436 WeakPolarHBondContact OD1-CB 3.28Å; D434-S436 PolarHBondContact OD1-N 2.96Å; D434-S436 PolarHBondContact OD1-OG 3.47Å; D434-L458 HydrophobicContact CB-CB 4.26Å; D434-L458 HydrophobicContact CB-CD1 4.21Å; D434-L458 WeakPolarHBondContact OD1-CB 3.22Å
435	L	97.5	Very high	93.9	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	20%	0.201	C	C	.	.			trans	-119.2	16.7	177.3	-68.7	162.9	0	0	0	111.4	L411 I416 L433 N438 M440 F448 L457 L458 M459 N462	L411-L435 HydrophobicContact CB-CD2 3.87Å; L411-L435 HydrophobicContact CD1-CD2 3.72Å; L411-L435 HydrophobicContact CG-CD2 4.47Å; I416-L435 HydrophobicContact CD1-CD2 4.37Å; L433-L435 HydrophobicContact CD1-CD1 4.43Å; L433-L435 HydrophobicContact CD1-CD2 4.5Å; L433-L435 HydrophobicContact CD1-CG 4.1Å; L433-L435 HydrophobicContact CD2-CD1 3.86Å; L433-L435 HydrophobicContact CD2-CG 4.4Å; L433-L435 HydrophobicContact CG-CD1 4.01Å; L433-L435 HydrophobicContact CG-CG 4.04Å; L435-N438 PolarHBondContact O-ND2 3.03Å; L435-M440 HydrophobicContact CB-CE 3.64Å; L435-M440 HydrophobicContact CD1-CE 4.19Å; L435-M440 HydrophobicContact CD1-SD 4.46Å; L435-M440 HydrophobicContact CD2-CE 4.49Å; L435-M440 HydrophobicContact CG-CE 4.34Å; L435-F448 HydrophobicContact CD1-CE1 4.12Å; L435-F448 HydrophobicContact CD1-CZ 4.48Å; L435-L457 HydrophobicContact CD1-CD1 4.49Å; L435-L458 PolarHBondContact N-O 3.15Å; L435-M459 HydrophobicContact CB-CE 4.41Å; L435-M459 HydrophobicContact CD1-CE 4.01Å; L435-N462 PolarHBondContact O-ND2 2.95Å
436	S	97.4	Very high	93.7	Very high	5 Å²	5	34.7 Å²	34.7	4%	0.035	20%	0.202	C	C	.	.			trans	-64	153.1	-175	-51.4	0	0	0	0	112.2	Q412 Q413 D434 N438 L458 S460	Q412-S436 CarbonylContact C-O 3.05Å; Q412-S436 WeakPolarHBondContact CA-O 3.15Å; Q412-S436 WeakPolarHBondContact CB-O 3.31Å; Q413-S436 PolarHBondContact N-O 3.47Å; D434-S436 WeakPolarHBondContact OD1-CB 3.28Å; D434-S436 PolarHBondContact OD1-N 2.96Å; D434-S436 PolarHBondContact OD1-OG 3.47Å; S436-N438 PolarHBondContact O-ND2 3.34Å; S436-L458 PolarHBondContact N-O 3.01Å; S436-L458 WeakPolarHBondContact OG-CB 3.32Å; S436-S460 CarbonylContact C-O 3.37Å; S436-S460 WeakPolarHBondContact CA-O 3.33Å; S436-S460 WeakPolarHBondContact CB-OG 3.24Å; S436-S460 PolarHBondContact OG-N 3.31Å; S436-S460 PolarHBondContact OG-OG 2.97Å
437	S	97.6	Very high	93.6	Very high	39 Å²	39	33 Å²	33	27%	0.273	18%	0.184	S	C	.	.	S	Bend	trans	55.7	56.5	178.3	-52.1	0	0	0	0	112.5	Q413 N414 S460 N461	Q413-S437 VanDerWaalsContact CA-O 3.29Å; Q413-S437 WeakPolarHBondContact CA-O 3.34Å; Q413-S437 PolarHBondContact N-O 3.05Å; N414-S437 PolarHBondContact N-O 3.44Å; S437-S460 PolarHBondContact N-O 3.15Å; S437-N461 WeakPolarHBondContact CA-O 3.34Å; S437-N461 PolarHBondContact N-O 3.05Å
438	N	97.9	Very high	93.3	Very high	9 Å²	9	33 Å²	33	5%	0.048	18%	0.183	C	C	.	.	S	Bend	trans	-126.5	-165.2	174.5	-85.4	-71.4	0	0	0	109.4	L411 N414 N415 I416 L435 S436 M440 N461 N462	L411-N438 PolarHBondContact O-ND2 3.17Å; N414-N438 WeakPolarHBondContact CA-OD1 3.47Å; N414-N438 WeakPolarHBondContact CB-OD1 3.43Å; N414-N438 PolarHBondContact N-OD1 3.29Å; N414-N438 PolarHBondContact O-OD1 3.46Å; N415-N438 PolarHBondContact N-OD1 3.38Å; I416-N438 HydrophobicContact CB-CB 4.23Å; I416-N438 WeakPolarHBondContact CB-OD1 3.14Å; I416-N438 WeakPolarHBondContact CD1-OD1 3.3Å; I416-N438 WeakPolarHBondContact CG1-OD1 3.47Å; I416-N438 PolarHBondContact N-OD1 3.44Å; L435-N438 PolarHBondContact O-ND2 3.03Å; S436-N438 PolarHBondContact O-ND2 3.34Å; N438-M440 HydrophobicContact CB-CE 4.37Å; N438-N461 PolarHBondContact N-O 3.47Å; N438-N462 WeakPolarHBondContact CA-OD1 3.35Å; N438-N462 WeakPolarHBondContact CB-OD1 3.37Å; N438-N462 PolarHBondContact O-OD1 2.84Å
439	K	96.8	Very high	93.1	Very high	93 Å²	93	31.3 Å²	31.3	40%	0.404	18%	0.175	S	C	.	.			trans	-124.1	35.7	-176.7	-63.3	-169.2	176.2	166.7	0	112.8	N415 I416 S417 N462	N415-K439 WeakPolarHBondContact OD1-CD 3.21Å; N415-K439 WeakPolarHBondContact OD1-CE 3.34Å; N415-K439 PolarHBondContact OD1-NZ 3.21Å; I416-K439 CarbonylContact O-C 2.97Å; I416-K439 WeakPolarHBondContact O-CA 3.35Å; I416-K439 PolarHBondContact O-N 3.12Å; S417-K439 WeakPolarHBondContact CA-O 3.22Å; S417-K439 WeakPolarHBondContact CB-O 3.5Å; K439-N462 PolarHBondContact N-OD1 2.92Å
440	M	94.4	Very high	92.8	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	18%	0.184	C	C	.	.			trans	-81.6	125.3	-176.4	-62	-179	-67.7	0	0	110.9	I416 V419 L435 N438 L443 M459 N462 E463 C464	I416-M440 HydrophobicContact CG2-CG 4.29Å; I416-M440 HydrophobicContact CG2-SD 4.42Å; I416-M440 WeakPolarHBondContact O-CG 3.46Å; I416-M440 PolarHBondContact O-N 3.48Å; V419-M440 HydrophobicContact CG2-SD 4.11Å; L435-M440 HydrophobicContact CB-CE 3.64Å; L435-M440 HydrophobicContact CD1-CE 4.19Å; L435-M440 HydrophobicContact CD1-SD 4.46Å; L435-M440 HydrophobicContact CD2-CE 4.49Å; L435-M440 HydrophobicContact CG-CE 4.34Å; N438-M440 HydrophobicContact CB-CE 4.37Å; M440-L443 HydrophobicContact SD-CD2 4.07Å; M440-M459 HydrophobicContact CE-CE 3.36Å; M440-M459 HydrophobicContact SD-CE 4.31Å; M440-N462 VanDerWaalsContact CE-OD1 3.26Å; M440-N462 WeakPolarHBondContact CE-OD1 3.32Å; M440-N462 PolarHBondContact N-OD1 3.41Å; M440-N462 VanDerWaalsContact N-OD1 3.17Å; M440-E463 CarbonylContact O-C 3.12Å; M440-E463 WeakPolarHBondContact O-CA 3.28Å; M440-E463 PolarHBondContact O-N 2.95Å; M440-C464 WeakPolarHBondContact O-CA 3.28Å; M440-C464 PolarHBondContact O-N 3.13Å
441	E	91.9	Very high	92.7	Very high	102 Å²	102	32.2 Å²	32.2	48%	0.477	18%	0.184	S	C	.	.			trans	-97.1	-39.3	-179.6	-67.4	179	-152.5	0	0	113.7	E463 C464 H465	E441-E463 WeakPolarHBondContact CA-O 3.32Å; E441-E463 HydrophobicContact CG-CB 4.08Å; E441-C464 WeakPolarHBondContact O-CA 3.4Å; E441-H465 PolarHBondContact O-N 2.9Å
442	V	82.8	Confident	92.4	Very high	97 Å²	97	33 Å²	33	59%	0.588	19%	0.191	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	133.1	-173.9	-177.4	0	0	0	0	109.9
443	L	81.3	Confident	92.3	Very high	9 Å²	9	34.7 Å²	34.7	5%	0.047	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.8	175.6	-64.4	160.8	0	0	0	109.6	M440 T447 F448 M459 F467	M440-L443 HydrophobicContact SD-CD2 4.07Å; L443-T447 HydrophobicContact CD2-CG2 4.09Å; L443-F448 HydrophobicContact CB-CE2 4.07Å; L443-F448 HydrophobicContact CD1-CE2 4.13Å; L443-F448 HydrophobicContact CD1-CZ 4.18Å; L443-F448 HydrophobicContact CD2-CE2 4.13Å; L443-F448 HydrophobicContact CD2-CZ 4.09Å; L443-F448 HydrophobicContact CG-CE2 4.34Å; L443-M459 HydrophobicContact CD1-CE 3.17Å; L443-M459 HydrophobicContact CD1-SD 3.9Å; L443-M459 HydrophobicContact CD2-CE 4.27Å; L443-M459 HydrophobicContact CG-CE 4.32Å; L443-F467 HydrophobicContact CD1-CD2 4.3Å
444	T	84	Confident	92.3	Very high	58 Å²	58	34.6 Å²	34.6	36%	0.356	20%	0.197	S	C	.	.			trans	-90.4	158.2	178.2	65.9	0	0	0	0	110.1	D421 Q446 T447	D421-T444 PolarHBondContact OD1-OG1 3.19Å; D421-T444 VanDerWaalsContact OD1-OG1 3.04Å; T444-Q446 PolarHBondContact O-N 2.93Å; T444-T447 PolarHBondContact N-OG1 3.44Å; T444-T447 VanDerWaalsContact O-CB 3.24Å; T444-T447 WeakPolarHBondContact O-CB 3.5Å; T444-T447 PolarHBondContact O-N 2.75Å; T444-T447 PolarHBondContact O-OG1 3.13Å; T444-T447 PolarHBondContact OG1-N 3.22Å; T444-T447 PolarHBondContact OG1-OG1 2.9Å
445	D	87.4	Confident	92.2	Very high	29 Å²	29	36 Å²	36	16%	0.155	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-28.1	172.7	-53.9	-34.7	0	0	0	111.8	T447 S449 L468 Q469 N470 V475	D445-T447 VanDerWaalsContact C-N 3.3Å; D445-T447 PolarHBondContact O-N 3.04Å; D445-S449 PolarHBondContact O-N 2.99Å; D445-L468 WeakPolarHBondContact OD1-CA 3.49Å; D445-Q469 PolarHBondContact OD1-N 3.48Å; D445-N470 VanDerWaalsContact OD2-CB 3.27Å; D445-N470 WeakPolarHBondContact OD2-CB 3.48Å; D445-N470 PolarHBondContact OD2-ND2 3.36Å; D445-V475 HydrophobicContact CB-CG2 3.95Å
446	Q	89.3	Confident	92.3	Very high	87 Å²	87	40.5 Å²	40.5	41%	0.407	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.9	177.2	-62.9	-56.4	-42.9	0	0	113.1	D421 Q422 T444 S449	D421-Q446 HydrophobicContact CB-CB 3.89Å; D421-Q446 WeakPolarHBondContact OD1-CB 3.38Å; Q422-Q446 PolarHBondContact N-O 3.31Å; T444-Q446 PolarHBondContact O-N 2.93Å; Q446-S449 WeakPolarHBondContact O-CB 3.49Å; Q446-S449 PolarHBondContact O-N 3.24Å
447	T	88.8	Confident	92.3	Very high	4 Å²	4	40.2 Å²	40.2	3%	0.025	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-48	177.5	-60.5	0	0	0	0	110.9	V419 F424 L443 T444 D445	V419-T447 HydrophobicContact CB-CG2 4.01Å; V419-T447 HydrophobicContact CG1-CG2 3.63Å; F424-T447 HydrophobicContact CD2-CG2 4.46Å; F424-T447 VanDerWaalsContact CD2-O 3.29Å; F424-T447 WeakPolarHBondContact CD2-O 3.47Å; F424-T447 HydrophobicContact CE2-CG2 4.21Å; L443-T447 HydrophobicContact CD2-CG2 4.09Å; T444-T447 PolarHBondContact N-OG1 3.44Å; T444-T447 VanDerWaalsContact O-CB 3.24Å; T444-T447 WeakPolarHBondContact O-CB 3.5Å; T444-T447 PolarHBondContact O-N 2.75Å; T444-T447 PolarHBondContact O-OG1 3.13Å; T444-T447 PolarHBondContact OG1-N 3.22Å; T444-T447 PolarHBondContact OG1-OG1 2.9Å; D445-T447 VanDerWaalsContact C-N 3.3Å; D445-T447 PolarHBondContact O-N 3.04Å
448	F	91.3	Very high	92.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	9.9	-177	-59.4	-73.1	0	0	0	114.1	F424 L433 L435 L443 G450 L451 L457 M459 F467 L468 V475 L476	F424-F448 HydrophobicContact CD2-CD1 4.27Å; F424-F448 HydrophobicContact CE2-CD1 4.46Å; F424-F448 HydrophobicContact CE2-CE1 4.42Å; L433-F448 HydrophobicContact CD2-CD1 4.43Å; L433-F448 HydrophobicContact CD2-CE1 4.16Å; L435-F448 HydrophobicContact CD1-CE1 4.12Å; L435-F448 HydrophobicContact CD1-CZ 4.48Å; L443-F448 HydrophobicContact CB-CE2 4.07Å; L443-F448 HydrophobicContact CD1-CE2 4.13Å; L443-F448 HydrophobicContact CD1-CZ 4.18Å; L443-F448 HydrophobicContact CD2-CE2 4.13Å; L443-F448 HydrophobicContact CD2-CZ 4.09Å; L443-F448 HydrophobicContact CG-CE2 4.34Å; F448-G450 PolarHBondContact O-N 3.08Å; F448-L451 HydrophobicContact CB-CD1 4.2Å; F448-L451 HydrophobicContact CD1-CD1 3.81Å; F448-L451 WeakPolarHBondContact O-CB 3.34Å; F448-L451 PolarHBondContact O-N 3.06Å; F448-L457 HydrophobicContact CE1-CD1 4.2Å; F448-L457 HydrophobicContact CE1-CD2 4.25Å; F448-L457 HydrophobicContact CZ-CD2 4.31Å; F448-M459 HydrophobicContact CE1-SD 4.49Å; F448-M459 HydrophobicContact CZ-CE 3.99Å; F448-M459 HydrophobicContact CZ-SD 3.73Å; F448-F467 HydrophobicContact CE2-CE2 4.37Å; F448-L468 HydrophobicContact CD2-CD2 3.73Å; F448-L468 HydrophobicContact CE2-CD2 4.22Å; F448-V475 HydrophobicContact CB-CG1 3.88Å; F448-L476 HydrophobicContact CB-CD2 4.15Å
449	S	90	Very high	92.2	Very high	36 Å²	36	40.1 Å²	40.1	25%	0.252	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	135.7	176.8	-173	0	0	0	0	110.8	M425 D445 Q446	M425-S449 VanDerWaalsContact CA-O 3.26Å; M425-S449 WeakPolarHBondContact CA-O 3.3Å; M425-S449 PolarHBondContact N-O 2.76Å; D445-S449 PolarHBondContact O-N 2.99Å; Q446-S449 WeakPolarHBondContact O-CB 3.49Å; Q446-S449 PolarHBondContact O-N 3.24Å
450	G	89.1	Confident	92.1	Very high	26 Å²	26	35.7 Å²	35.7	27%	0.268	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.4	-14.5	-179	0	0	0	0	0	115.7	F448 S452	F448-G450 PolarHBondContact O-N 3.08Å; G450-S452 PolarHBondContact O-N 3.3Å
451	L	94.9	Very high	92.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.217	C	C	.	.			trans	-79.3	51.1	-179.9	-63.9	-176	0	0	0	113.7	F424 L427 L430 L433 F448 N453 L454 L476	F424-L451 HydrophobicContact CB-CD1 3.93Å; F424-L451 HydrophobicContact CB-CD2 3.88Å; F424-L451 HydrophobicContact CB-CG 3.89Å; F424-L451 HydrophobicContact CD2-CD1 4.27Å; F424-L451 HydrophobicContact CG-CD1 4.27Å; L427-L451 HydrophobicContact CB-CD2 3.81Å; L430-L451 HydrophobicContact CB-CD2 4.06Å; L430-L451 HydrophobicContact CD2-CD2 3.78Å; L433-L451 HydrophobicContact CD2-CD1 4.06Å; F448-L451 HydrophobicContact CB-CD1 4.2Å; F448-L451 HydrophobicContact CD1-CD1 3.81Å; F448-L451 WeakPolarHBondContact O-CB 3.34Å; F448-L451 PolarHBondContact O-N 3.06Å; L451-N453 PolarHBondContact O-N 2.9Å; L451-L454 HydrophobicContact CB-CB 4.17Å; L451-L454 HydrophobicContact CD1-CD2 4.13Å; L451-L454 WeakPolarHBondContact O-CB 3.33Å; L451-L454 PolarHBondContact O-N 3.01Å; L451-L476 HydrophobicContact CB-CD2 3.8Å
452	S	92.8	Very high	92.5	Very high	57 Å²	57	35.3 Å²	35.3	40%	0.399	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.1	-173.3	59.1	0	0	0	0	114.9	G450	G450-S452 PolarHBondContact O-N 3.3Å
453	N	96.5	Very high	93.2	Very high	49 Å²	49	35 Å²	35	26%	0.262	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	3.8	-179.8	-70.7	-47.4	0	0	0	114.4	V428 L430 L451 E455 R478	V428-N453 PolarHBondContact O-ND2 3Å; L430-N453 CarbonylContact O-C 3.01Å; L451-N453 PolarHBondContact O-N 2.9Å; N453-E455 PolarHBondContact O-N 3.14Å; N453-R478 PolarHBondContact OD1-NH1 3.39Å
454	L	97.6	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.			trans	-68.4	124.6	-175.7	-165.3	74.7	0	0	0	110.8	L430 L433 L451 L457 L476 R478 L479	L430-L454 HydrophobicContact CB-CD1 4.47Å; L430-L454 HydrophobicContact CD2-CD1 4Å; L430-L454 HydrophobicContact CG-CD1 4.01Å; L430-L454 WeakPolarHBondContact O-CA 3.38Å; L430-L454 PolarHBondContact O-N 3.01Å; L433-L454 HydrophobicContact CB-CD1 3.78Å; L433-L454 HydrophobicContact CB-CD2 4.45Å; L451-L454 HydrophobicContact CB-CB 4.17Å; L451-L454 HydrophobicContact CD1-CD2 4.13Å; L451-L454 WeakPolarHBondContact O-CB 3.33Å; L451-L454 PolarHBondContact O-N 3.01Å; L454-L457 HydrophobicContact CD2-CB 3.99Å; L454-L457 HydrophobicContact CD2-CD1 4.33Å; L454-L457 HydrophobicContact CD2-CD2 4.34Å; L454-L457 HydrophobicContact CD2-CG 4.44Å; L454-L476 HydrophobicContact CB-CD2 4.25Å; L454-L476 HydrophobicContact CD2-CD1 4.4Å; L454-L476 HydrophobicContact CD2-CD2 3.9Å; L454-R478 CarbonylContact O-C 3.52Å; L454-L479 HydrophobicContact CD2-CD1 4.38Å; L454-L479 HydrophobicContact CG-CD1 4.48Å; L454-L479 WeakPolarHBondContact O-CA 3.46Å; L454-L479 PolarHBondContact O-N 2.97Å
455	E	97.9	Very high	94.3	Very high	51 Å²	51	36.8 Å²	36.8	24%	0.238	19%	0.193	C	C	.	.			trans	-107.2	-33.6	178	-67.5	-172.7	-145.3	0	0	111.9	V431 N453 R480 Y481	V431-E455 HydrophobicContact CG1-CB 4.03Å; V431-E455 HydrophobicContact CG1-CG 4.18Å; V431-E455 PolarHBondContact O-N 3.27Å; N453-E455 PolarHBondContact O-N 3.14Å; E455-R480 PolarHBondContact O-N 3.01Å; E455-R480 WeakPolarHBondContact OE2-CD 3.42Å; E455-R480 IonicContact OE2-CZ 3.38Å; E455-R480 IonicContact OE2-NE 3.64Å; E455-R480 IonicContact OE2-NH1 3.96Å; E455-R480 PolarHBondContact OE2-NH1 3.1Å; E455-Y481 PolarHBondContact O-N 2.77Å
456	Y	98	Very high	94.3	Very high	95 Å²	95	39.4 Å²	39.4	37%	0.373	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	119.4	-176.5	-56.5	-94.1	0	0	0	110.5	V431 G432 L433 Y481	V431-Y456 HydrophobicContact CG1-CD2 4.21Å; V431-Y456 HydrophobicContact CG1-CE2 4.4Å; V431-Y456 PolarHBondContact O-N 3.15Å; G432-Y456 WeakPolarHBondContact CA-O 3.17Å; L433-Y456 PolarHBondContact N-O 3.06Å; Y456-Y481 VanDerWaalsContact CD1-CB 3.47Å; Y456-Y481 HydrophobicContact CD1-CG 4.01Å
457	L	97.4	Very high	94.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	112.6	174.4	179.5	54.1	0	0	0	109.7	L433 L435 F448 L454 M459 F467 L476 L479 Y481 L482 D483	L433-L457 HydrophobicContact CB-CD1 4.13Å; L433-L457 HydrophobicContact CD2-CD1 4.02Å; L433-L457 HydrophobicContact CG-CD1 4.06Å; L433-L457 WeakPolarHBondContact O-CA 3.16Å; L435-L457 HydrophobicContact CD1-CD1 4.49Å; F448-L457 HydrophobicContact CE1-CD1 4.2Å; F448-L457 HydrophobicContact CE1-CD2 4.25Å; F448-L457 HydrophobicContact CZ-CD2 4.31Å; L454-L457 HydrophobicContact CD2-CB 3.99Å; L454-L457 HydrophobicContact CD2-CD1 4.33Å; L454-L457 HydrophobicContact CD2-CD2 4.34Å; L454-L457 HydrophobicContact CD2-CG 4.44Å; L457-M459 HydrophobicContact CD1-CG 3.69Å; L457-M459 HydrophobicContact CD1-SD 3.91Å; L457-M459 HydrophobicContact CD2-CG 4.4Å; L457-M459 HydrophobicContact CD2-SD 3.91Å; L457-M459 HydrophobicContact CG-CG 3.76Å; L457-M459 HydrophobicContact CG-SD 3.93Å; L457-F467 HydrophobicContact CD2-CE2 4.19Å; L457-F467 HydrophobicContact CD2-CZ 4.08Å; L457-L476 HydrophobicContact CD2-CD1 3.73Å; L457-L479 HydrophobicContact CB-CD1 3.71Å; L457-Y481 PolarHBondContact N-O 3.08Å; L457-L482 HydrophobicContact CB-CD1 4.02Å; L457-L482 HydrophobicContact CD2-CD1 3.98Å; L457-L482 HydrophobicContact CG-CD1 3.92Å; L457-L482 WeakPolarHBondContact O-CA 3.25Å; L457-D483 PolarHBondContact O-N 2.93Å
458	L	97.4	Very high	94.4	Very high	43 Å²	43	35.4 Å²	35.4	23%	0.225	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.4	178	-49.8	-179.7	0	0	0	109	L433 D434 L435 S436 Y481 D483	L433-L458 PolarHBondContact O-N 3.37Å; D434-L458 HydrophobicContact CB-CB 4.26Å; D434-L458 HydrophobicContact CB-CD1 4.21Å; D434-L458 WeakPolarHBondContact OD1-CB 3.22Å; L435-L458 PolarHBondContact N-O 3.15Å; S436-L458 PolarHBondContact N-O 3.01Å; S436-L458 WeakPolarHBondContact OG-CB 3.32Å; L458-Y481 HydrophobicContact CD2-CD1 3.6Å; L458-Y481 HydrophobicContact CD2-CE1 3.33Å; L458-D483 HydrophobicContact CD2-CB 3.94Å
459	M	95.9	Very high	93.9	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.015	21%	0.212	C	C	.	.			trans	-139.7	26.2	-176.3	-55.7	-161.4	68.2	0	0	111.5	L435 M440 L443 F448 L457 N462 F467 D483 L484 N487	L435-M459 HydrophobicContact CB-CE 4.41Å; L435-M459 HydrophobicContact CD1-CE 4.01Å; M440-M459 HydrophobicContact CE-CE 3.36Å; M440-M459 HydrophobicContact SD-CE 4.31Å; L443-M459 HydrophobicContact CD1-CE 3.17Å; L443-M459 HydrophobicContact CD1-SD 3.9Å; L443-M459 HydrophobicContact CD2-CE 4.27Å; L443-M459 HydrophobicContact CG-CE 4.32Å; F448-M459 HydrophobicContact CE1-SD 4.49Å; F448-M459 HydrophobicContact CZ-CE 3.99Å; F448-M459 HydrophobicContact CZ-SD 3.73Å; L457-M459 HydrophobicContact CD1-CG 3.69Å; L457-M459 HydrophobicContact CD1-SD 3.91Å; L457-M459 HydrophobicContact CD2-CG 4.4Å; L457-M459 HydrophobicContact CD2-SD 3.91Å; L457-M459 HydrophobicContact CG-CG 3.76Å; L457-M459 HydrophobicContact CG-SD 3.93Å; M459-N462 PolarHBondContact O-ND2 3.35Å; M459-F467 HydrophobicContact SD-CD2 4.44Å; M459-F467 HydrophobicContact SD-CE2 3.89Å; M459-D483 CarbonylContact C-O 3.22Å; M459-D483 VanDerWaalsContact C-O 3.32Å; M459-D483 WeakPolarHBondContact CA-O 3.47Å; M459-D483 WeakPolarHBondContact CB-O 3.25Å; M459-D483 PolarHBondContact N-O 2.98Å; M459-L484 HydrophobicContact CB-CD2 4.17Å; M459-N487 PolarHBondContact O-ND2 2.79Å
460	S	96.3	Very high	93.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.226	C	C	.	.			trans	-65.5	155.8	-178.7	66.9	0	0	0	0	111.1	S436 S437 N462 D483 R485	S436-S460 CarbonylContact C-O 3.37Å; S436-S460 WeakPolarHBondContact CA-O 3.33Å; S436-S460 WeakPolarHBondContact CB-OG 3.24Å; S436-S460 PolarHBondContact OG-N 3.31Å; S436-S460 PolarHBondContact OG-OG 2.97Å; S437-S460 PolarHBondContact N-O 3.15Å; S460-N462 PolarHBondContact O-N 2.96Å; S460-N462 PolarHBondContact O-ND2 3.26Å; S460-D483 PolarHBondContact N-O 3.41Å; S460-R485 CarbonylContact C-O 3.58Å; S460-R485 WeakPolarHBondContact CA-O 3.33Å
461	N	97.1	Very high	93.1	Very high	86 Å²	86	43 Å²	43	46%	0.46	21%	0.213	S	C	.	.	S	Bend	trans	54.9	57.6	174.6	-53.7	-35.8	0	0	0	112.5	S437 N438 R485 G486	S437-N461 WeakPolarHBondContact CA-O 3.34Å; S437-N461 PolarHBondContact N-O 3.05Å; N438-N461 PolarHBondContact N-O 3.47Å; N461-R485 PolarHBondContact N-O 2.84Å; N461-G486 VanDerWaalsContact CA-O 3.24Å; N461-G486 WeakPolarHBondContact CA-O 3.23Å
462	N	97.4	Very high	92.9	Very high	10 Å²	10	43.1 Å²	43.1	5%	0.053	21%	0.214	C	C	.	.	S	Bend	trans	-124.3	-173.4	172.6	-89.4	-85.8	0	0	0	109	L435 N438 K439 M440 M459 S460 G486 N487	L435-N462 PolarHBondContact O-ND2 2.95Å; N438-N462 WeakPolarHBondContact CA-OD1 3.35Å; N438-N462 WeakPolarHBondContact CB-OD1 3.37Å; N438-N462 PolarHBondContact O-OD1 2.84Å; K439-N462 PolarHBondContact N-OD1 2.92Å; M440-N462 VanDerWaalsContact CE-OD1 3.26Å; M440-N462 WeakPolarHBondContact CE-OD1 3.32Å; M440-N462 PolarHBondContact N-OD1 3.41Å; M440-N462 VanDerWaalsContact N-OD1 3.17Å; M459-N462 PolarHBondContact O-ND2 3.35Å; S460-N462 PolarHBondContact O-N 2.96Å; S460-N462 PolarHBondContact O-ND2 3.26Å; N462-G486 PolarHBondContact N-O 3.24Å; N462-G486 VanDerWaalsContact O-O 3.08Å; N462-N487 VanDerWaalsContact C-OD1 3.27Å; N462-N487 WeakPolarHBondContact CA-OD1 3.44Å; N462-N487 WeakPolarHBondContact CB-OD1 3.33Å; N462-N487 WeakPolarHBondContact O-CA 3.4Å; N462-N487 PolarHBondContact O-OD1 3.16Å
463	E	96.3	Very high	92.9	Very high	91 Å²	91	44.4 Å²	44.4	43%	0.425	21%	0.212	S	C	.	.			trans	-108.4	24	-178.9	-62.6	-179.2	-159.7	0	0	111.3	M440 E441 H465	M440-E463 CarbonylContact O-C 3.12Å; M440-E463 WeakPolarHBondContact O-CA 3.28Å; M440-E463 PolarHBondContact O-N 2.95Å; E441-E463 WeakPolarHBondContact CA-O 3.32Å; E441-E463 HydrophobicContact CG-CB 4.08Å; E463-H465 PolarHBondContact O-N 3.2Å
464	C	94.4	Very high	92.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.014	23%	0.231	C	C	.	.			trans	-71.3	119.6	-166.5	-170.9	0	0	0	0	111.9	M440 E441 Q466 N487 A488 L489	M440-C464 WeakPolarHBondContact O-CA 3.28Å; M440-C464 PolarHBondContact O-N 3.13Å; E441-C464 WeakPolarHBondContact O-CA 3.4Å; C464-Q466 PolarHBondContact SG-O 3.44Å; C464-N487 HydrophobicContact CB-CB 4.28Å; C464-N487 WeakPolarHBondContact CB-OD1 3.28Å; C464-N487 PolarHBondContact N-OD1 3.04Å; C464-N487 VanDerWaalsContact N-OD1 3.11Å; C464-A488 CarbonylContact O-C 3.21Å; C464-A488 WeakPolarHBondContact O-CA 3.47Å; C464-A488 PolarHBondContact O-N 3.19Å; C464-L489 PolarHBondContact O-N 3.3Å; C464-L489 VanDerWaalsContact O-N 3.16Å
465	H	93.3	Very high	92.3	Very high	102 Å²	102	50 Å²	50	47%	0.472	24%	0.238	S	C	.	.	S	Bend	trans	-87	-22.7	176.4	-65.6	-62.6	0	0	0	113	E441 E463 A488	E441-H465 PolarHBondContact O-N 2.9Å; E463-H465 PolarHBondContact O-N 3.2Å; H465-A488 VanDerWaalsContact CE1-CB 3.47Å; H465-A488 WeakPolarHBondContact CE1-CB 3.44Å; H465-A488 VanDerWaalsContact ND1-CB 3.29Å; H465-A488 WeakPolarHBondContact ND1-CB 3.43Å
466	Q	89.3	Confident	92.1	Very high	84 Å²	84	47.6 Å²	47.6	39%	0.393	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	133.4	-176.2	-171.2	170.4	30.8	0	0	112.4	C464 Q469	C464-Q466 PolarHBondContact SG-O 3.44Å; Q466-Q469 HydrophobicContact CG-CG 4.26Å
467	F	90.9	Very high	92	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.026	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.5	177.9	-175.8	-99.5	0	0	0	111.1	L443 F448 L457 M459 T472 L482 L484 L489 L492	L443-F467 HydrophobicContact CD1-CD2 4.3Å; F448-F467 HydrophobicContact CE2-CE2 4.37Å; L457-F467 HydrophobicContact CD2-CE2 4.19Å; L457-F467 HydrophobicContact CD2-CZ 4.08Å; M459-F467 HydrophobicContact SD-CD2 4.44Å; M459-F467 HydrophobicContact SD-CE2 3.89Å; F467-T472 HydrophobicContact CE1-CG2 4.14Å; F467-L482 HydrophobicContact CD1-CD2 4.48Å; F467-L482 HydrophobicContact CE1-CD2 3.72Å; F467-L482 HydrophobicContact CE2-CD1 4.47Å; F467-L482 HydrophobicContact CZ-CD1 4.04Å; F467-L482 HydrophobicContact CZ-CD2 3.95Å; F467-L484 HydrophobicContact CB-CD1 4.48Å; F467-L484 HydrophobicContact CD1-CD1 4.16Å; F467-L484 HydrophobicContact CD2-CD2 3.8Å; F467-L484 HydrophobicContact CE2-CD2 4.12Å; F467-L484 HydrophobicContact CG-CD1 4.15Å; F467-L484 HydrophobicContact CG-CD2 4.15Å; F467-L489 HydrophobicContact CB-CD2 4.17Å; F467-L492 HydrophobicContact CB-CD1 4.15Å; F467-L492 HydrophobicContact CD1-CD1 4.02Å
468	L	88.2	Confident	91.9	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.252	C	S	.	.			trans	41.1	94.5	172.8	-54.6	178.9	0	0	0	116	D445 F448 N470 G471 T472 V475 L476	D445-L468 WeakPolarHBondContact OD1-CA 3.49Å; F448-L468 HydrophobicContact CD2-CD2 3.73Å; F448-L468 HydrophobicContact CE2-CD2 4.22Å; L468-N470 PolarHBondContact O-N 2.87Å; L468-G471 PolarHBondContact O-N 3.25Å; L468-T472 HydrophobicContact CD1-CG2 4.32Å; L468-V475 HydrophobicContact CD1-CB 4.37Å; L468-L476 HydrophobicContact CD1-CD1 4.12Å
469	Q	80.7	Confident	91.9	Very high	120 Å²	120	50.5 Å²	50.5	56%	0.561	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-37.9	-175.2	-59	-156.1	0.4	0	0	113.7	D445 Q466 G471	D445-Q469 PolarHBondContact OD1-N 3.48Å; Q466-Q469 HydrophobicContact CG-CG 4.26Å; Q469-G471 PolarHBondContact O-N 3.12Å
470	N	81.3	Confident	91.9	Very high	103 Å²	103	54.2 Å²	54.2	55%	0.551	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	1.8	-176.7	-67.3	-34.8	0	0	0	113.3	D445 L468 Q474	D445-N470 VanDerWaalsContact OD2-CB 3.27Å; D445-N470 WeakPolarHBondContact OD2-CB 3.48Å; D445-N470 PolarHBondContact OD2-ND2 3.36Å; L468-N470 PolarHBondContact O-N 2.87Å; N470-Q474 PolarHBondContact O-OE1 3.2Å
471	G	82.1	Confident	92	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.263	C	S	.	.			trans	96.2	135.1	172.8	0	0	0	0	0	114	L468 Q469 K473 Q474	L468-G471 PolarHBondContact O-N 3.25Å; Q469-G471 PolarHBondContact O-N 3.12Å; G471-K473 VanDerWaalsContact C-N 3.33Å; G471-K473 PolarHBondContact O-N 3.02Å; G471-Q474 PolarHBondContact O-N 3.29Å
472	T	89.7	Confident	91.9	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-39	-173.6	-44.8	0	0	0	0	113.6	F467 L468 Q474 V475 L476 L479 N495 F496	F467-T472 HydrophobicContact CE1-CG2 4.14Å; L468-T472 HydrophobicContact CD1-CG2 4.32Å; T472-Q474 PolarHBondContact O-N 2.85Å; T472-V475 PolarHBondContact O-N 3.28Å; T472-L476 HydrophobicContact CG2-CB 4.22Å; T472-L476 HydrophobicContact CG2-CD1 4.37Å; T472-L476 CarbonylContact O-C 3.12Å; T472-L476 WeakPolarHBondContact O-CA 3.17Å; T472-L476 PolarHBondContact O-N 2.69Å; T472-L479 HydrophobicContact CG2-CD2 3.66Å; T472-N495 PolarHBondContact N-O 3.37Å; T472-F496 HydrophobicContact CG2-CD1 4.06Å; T472-F496 HydrophobicContact CG2-CE1 4.26Å
473	K	92.3	Very high	91.9	Very high	84 Å²	84	51.7 Å²	51.7	37%	0.365	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-29.4	-177.4	-175.2	175	-177.7	172.1	0	113.3	G471 P477 N495 E498	G471-K473 VanDerWaalsContact C-N 3.33Å; G471-K473 PolarHBondContact O-N 3.02Å; K473-P477 WeakPolarHBondContact O-CA 3.35Å; K473-P477 WeakPolarHBondContact O-CB 3.3Å; K473-N495 VanDerWaalsContact CB-O 3.27Å; K473-N495 WeakPolarHBondContact CB-O 3.41Å; K473-N495 PolarHBondContact N-O 3.4Å; K473-E498 IonicContact NZ-OE1 3.95Å
474	Q	90.5	Very high	91.9	Very high	141 Å²	141	47.4 Å²	47.4	66%	0.659	22%	0.219	S	C	*	.	H	α-helix	trans	-77.5	-41.7	179.9	-65	-179.9	1	0	0	111.5	N470 G471 T472	N470-Q474 PolarHBondContact O-OE1 3.2Å; G471-Q474 PolarHBondContact O-N 3.29Å; T472-Q474 PolarHBondContact O-N 2.85Å
475	V	91.6	Very high	92	Very high	26 Å²	26	49.1 Å²	49.1	16%	0.158	23%	0.225	C	C	.	.	H	α-helix	trans	-84.6	-41.6	-176.3	-173.6	0	0	0	0	111.6	D445 F448 L468 T472 P477	D445-V475 HydrophobicContact CB-CG2 3.95Å; F448-V475 HydrophobicContact CB-CG1 3.88Å; L468-V475 HydrophobicContact CD1-CB 4.37Å; T472-V475 PolarHBondContact O-N 3.28Å; V475-P477 WeakPolarHBondContact O-CD 3.22Å
476	L	94.6	Very high	92.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.215	C	C	.	.			trans	-126.2	69.4	-173.7	-60.1	175.5	0	0	0	110.5	F448 L451 L454 L457 L468 T472 R478 L479	F448-L476 HydrophobicContact CB-CD2 4.15Å; L451-L476 HydrophobicContact CB-CD2 3.8Å; L454-L476 HydrophobicContact CB-CD2 4.25Å; L454-L476 HydrophobicContact CD2-CD1 4.4Å; L454-L476 HydrophobicContact CD2-CD2 3.9Å; L457-L476 HydrophobicContact CD2-CD1 3.73Å; L468-L476 HydrophobicContact CD1-CD1 4.12Å; T472-L476 HydrophobicContact CG2-CB 4.22Å; T472-L476 HydrophobicContact CG2-CD1 4.37Å; T472-L476 CarbonylContact O-C 3.12Å; T472-L476 WeakPolarHBondContact O-CA 3.17Å; T472-L476 PolarHBondContact O-N 2.69Å; L476-R478 VanDerWaalsContact C-N 3.27Å; L476-R478 PolarHBondContact O-N 2.63Å; L476-L479 HydrophobicContact CB-CB 4.14Å; L476-L479 HydrophobicContact CB-CD2 4.48Å; L476-L479 HydrophobicContact CD1-CD2 4.2Å; L476-L479 WeakPolarHBondContact O-CB 3.48Å; L476-L479 PolarHBondContact O-N 3.31Å
477	P	94.4	Very high	92.6	Very high	54 Å²	54	41.9 Å²	41.9	35%	0.351	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.4	-169.6	26.1	-35.7	0	0	0	114.7	K473 V475 S497	K473-P477 WeakPolarHBondContact O-CA 3.35Å; K473-P477 WeakPolarHBondContact O-CB 3.3Å; V475-P477 WeakPolarHBondContact O-CD 3.22Å; P477-S497 VanDerWaalsContact O-CB 3.32Å; P477-S497 WeakPolarHBondContact O-CB 3.37Å; P477-S497 PolarHBondContact O-OG 2.95Å
478	R	96.4	Very high	92.9	Very high	142 Å²	142	42 Å²	42	54%	0.536	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	6.5	-178.1	-67.4	-167.7	176.3	172.4	0.2	114.2	N453 L454 L476 R480	N453-R478 PolarHBondContact OD1-NH1 3.39Å; L454-R478 CarbonylContact O-C 3.52Å; L476-R478 VanDerWaalsContact C-N 3.27Å; L476-R478 PolarHBondContact O-N 2.63Å; R478-R480 PolarHBondContact O-N 2.86Å
479	L	96.6	Very high	93.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	20%	0.2	C	C	.	.			trans	-62.3	129	-177.5	-162.1	69.3	0	0	0	111.1	L454 L457 T472 L476 L482	L454-L479 HydrophobicContact CD2-CD1 4.38Å; L454-L479 HydrophobicContact CG-CD1 4.48Å; L454-L479 WeakPolarHBondContact O-CA 3.46Å; L454-L479 PolarHBondContact O-N 2.97Å; L457-L479 HydrophobicContact CB-CD1 3.71Å; T472-L479 HydrophobicContact CG2-CD2 3.66Å; L476-L479 HydrophobicContact CB-CB 4.14Å; L476-L479 HydrophobicContact CB-CD2 4.48Å; L476-L479 HydrophobicContact CD1-CD2 4.2Å; L476-L479 WeakPolarHBondContact O-CB 3.48Å; L476-L479 PolarHBondContact O-N 3.31Å; L479-L482 HydrophobicContact CD2-CB 3.99Å; L479-L482 HydrophobicContact CD2-CD1 4.39Å; L479-L482 HydrophobicContact CD2-CD2 4.06Å; L479-L482 HydrophobicContact CD2-CG 4.38Å
480	R	96.9	Very high	93.9	Very high	82 Å²	82	38.2 Å²	38.2	31%	0.309	19%	0.186	S	C	.	.			trans	-115.9	-35.5	179.1	-65.3	170.8	78.2	177.5	3.8	111.5	E455 R478 E501 K502	E455-R480 PolarHBondContact O-N 3.01Å; E455-R480 WeakPolarHBondContact OE2-CD 3.42Å; E455-R480 IonicContact OE2-CZ 3.38Å; E455-R480 IonicContact OE2-NE 3.64Å; E455-R480 IonicContact OE2-NH1 3.96Å; E455-R480 PolarHBondContact OE2-NH1 3.1Å; R478-R480 PolarHBondContact O-N 2.86Å; R480-E501 HydrophobicContact CB-CG 4.32Å; R480-E501 IonicContact CZ-OE1 3.43Å; R480-E501 IonicContact NE-OE1 2.76Å; R480-E501 PolarHBondContact NE-OE1 3.43Å; R480-E501 IonicContact NE-OE2 3.62Å; R480-E501 IonicContact NH2-OE1 3.94Å; R480-E501 PolarHBondContact NH2-OE1 3.09Å; R480-E501 IonicContact NH2-OE2 3.96Å; R480-E501 PolarHBondContact O-N 3.26Å; R480-K502 PolarHBondContact O-N 3.26Å; R480-K502 VanDerWaalsContact O-N 3.08Å
481	Y	97.2	Very high	94.5	Very high	41 Å²	41	35.4 Å²	35.4	16%	0.161	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	126.3	-177.9	-168.7	-75	0	0	0	110.3	E455 Y456 L457 L458 D483 K502 L504	E455-Y481 PolarHBondContact O-N 2.77Å; Y456-Y481 VanDerWaalsContact CD1-CB 3.47Å; Y456-Y481 HydrophobicContact CD1-CG 4.01Å; L457-Y481 PolarHBondContact N-O 3.08Å; L458-Y481 HydrophobicContact CD2-CD1 3.6Å; L458-Y481 HydrophobicContact CD2-CE1 3.33Å; Y481-D483 HydrophobicContact CE1-CB 4.01Å; Y481-K502 WeakPolarHBondContact CA-O 3.42Å; Y481-K502 HydrophobicContact CD2-CB 3.48Å; Y481-K502 VanDerWaalsContact CD2-CB 3.48Å; Y481-K502 HydrophobicContact CD2-CD 3.8Å; Y481-K502 HydrophobicContact CD2-CG 4.17Å; Y481-K502 HydrophobicContact CE2-CB 3.66Å; Y481-K502 HydrophobicContact CE2-CD 3.52Å; Y481-K502 HydrophobicContact CE2-CG 4.21Å; Y481-K502 HydrophobicContact CG-CB 4.29Å; Y481-L504 WeakPolarHBondContact OH-CD1 3.48Å
482	L	96.8	Very high	95	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	123.1	176.5	178.8	56.6	0	0	0	110.5	L457 F467 L479 L484 F496 M500 K502 L503 L504	L457-L482 HydrophobicContact CB-CD1 4.02Å; L457-L482 HydrophobicContact CD2-CD1 3.98Å; L457-L482 HydrophobicContact CG-CD1 3.92Å; L457-L482 WeakPolarHBondContact O-CA 3.25Å; F467-L482 HydrophobicContact CD1-CD2 4.48Å; F467-L482 HydrophobicContact CE1-CD2 3.72Å; F467-L482 HydrophobicContact CE2-CD1 4.47Å; F467-L482 HydrophobicContact CZ-CD1 4.04Å; F467-L482 HydrophobicContact CZ-CD2 3.95Å; L479-L482 HydrophobicContact CD2-CB 3.99Å; L479-L482 HydrophobicContact CD2-CD1 4.39Å; L479-L482 HydrophobicContact CD2-CD2 4.06Å; L479-L482 HydrophobicContact CD2-CG 4.38Å; L482-L484 HydrophobicContact CD1-CD1 4.43Å; L482-L484 HydrophobicContact CD1-CD2 4.18Å; L482-L484 HydrophobicContact CD1-CG 3.98Å; L482-L484 HydrophobicContact CD2-CD1 3.8Å; L482-L484 HydrophobicContact CD2-CG 4.23Å; L482-L484 HydrophobicContact CG-CD1 4.03Å; L482-L484 HydrophobicContact CG-CG 3.9Å; L482-F496 HydrophobicContact CD2-CE1 4.04Å; L482-M500 HydrophobicContact CB-CE 3.44Å; L482-M500 VanDerWaalsContact CB-CE 3.44Å; L482-K502 PolarHBondContact N-O 3.36Å; L482-L503 HydrophobicContact CB-CD1 3.83Å; L482-L503 HydrophobicContact CD2-CD1 3.8Å; L482-L503 HydrophobicContact CG-CD1 3.81Å; L482-L503 WeakPolarHBondContact O-CA 3.36Å; L482-L504 PolarHBondContact O-N 3.08Å
483	D	96.6	Very high	95.1	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.011	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.3	172.9	-169.9	-5.9	0	0	0	110.8	L457 L458 M459 S460 Y481 R485 L504	L457-D483 PolarHBondContact O-N 2.93Å; L458-D483 HydrophobicContact CD2-CB 3.94Å; M459-D483 CarbonylContact C-O 3.22Å; M459-D483 VanDerWaalsContact C-O 3.32Å; M459-D483 WeakPolarHBondContact CA-O 3.47Å; M459-D483 WeakPolarHBondContact CB-O 3.25Å; M459-D483 PolarHBondContact N-O 2.98Å; S460-D483 PolarHBondContact N-O 3.41Å; Y481-D483 HydrophobicContact CE1-CB 4.01Å; D483-R485 VanDerWaalsContact OD1-CB 3.29Å; D483-R485 WeakPolarHBondContact OD1-CB 3.43Å; D483-R485 WeakPolarHBondContact OD1-CG 3.41Å; D483-R485 IonicContact OD1-CZ 3.02Å; D483-R485 PolarHBondContact OD1-N 3.3Å; D483-R485 IonicContact OD1-NE 3.74Å; D483-R485 PolarHBondContact OD1-NE 2.84Å; D483-R485 IonicContact OD2-CZ 2.76Å; D483-R485 VanDerWaalsContact OD2-CZ 3.26Å; D483-R485 IonicContact OD2-NE 3.14Å; D483-R485 PolarHBondContact OD2-NE 3.07Å; D483-R485 IonicContact OD2-NH2 3.18Å; D483-R485 PolarHBondContact OD2-NH2 3.42Å; D483-L504 HydrophobicContact CB-CB 4.44Å
484	L	96.9	Very high	95.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.188	C	C	.	.			trans	-116.6	19.1	176.5	-66.8	169	0	0	0	111.5	M459 F467 L482 N487 L489 L492 L504 L505 N508	M459-L484 HydrophobicContact CB-CD2 4.17Å; F467-L484 HydrophobicContact CB-CD1 4.48Å; F467-L484 HydrophobicContact CD1-CD1 4.16Å; F467-L484 HydrophobicContact CD2-CD2 3.8Å; F467-L484 HydrophobicContact CE2-CD2 4.12Å; F467-L484 HydrophobicContact CG-CD1 4.15Å; F467-L484 HydrophobicContact CG-CD2 4.15Å; L482-L484 HydrophobicContact CD1-CD1 4.43Å; L482-L484 HydrophobicContact CD1-CD2 4.18Å; L482-L484 HydrophobicContact CD1-CG 3.98Å; L482-L484 HydrophobicContact CD2-CD1 3.8Å; L482-L484 HydrophobicContact CD2-CG 4.23Å; L482-L484 HydrophobicContact CG-CD1 4.03Å; L482-L484 HydrophobicContact CG-CG 3.9Å; L484-N487 PolarHBondContact O-ND2 3.1Å; L484-N487 VanDerWaalsContact O-ND2 3.1Å; L484-L489 HydrophobicContact CB-CD1 3.99Å; L484-L489 HydrophobicContact CD1-CD1 3.97Å; L484-L489 HydrophobicContact CG-CD1 4.4Å; L484-L492 HydrophobicContact CD1-CD1 4.11Å; L484-L492 HydrophobicContact CD1-CD2 4.41Å; L484-L504 PolarHBondContact N-O 3.05Å; L484-L505 HydrophobicContact CB-CD2 4.22Å; L484-L505 HydrophobicContact CD1-CD2 4.22Å; L484-N508 PolarHBondContact O-ND2 3.11Å
485	R	96.8	Very high	95.2	Very high	37 Å²	37	32.6 Å²	32.6	14%	0.14	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	152.5	-179.2	-69.4	177.4	-64.6	151.1	-0.5	112.1	S460 N461 D483 N487 L504 S506 E539 I549	S460-R485 CarbonylContact C-O 3.58Å; S460-R485 WeakPolarHBondContact CA-O 3.33Å; N461-R485 PolarHBondContact N-O 2.84Å; D483-R485 VanDerWaalsContact OD1-CB 3.29Å; D483-R485 WeakPolarHBondContact OD1-CB 3.43Å; D483-R485 WeakPolarHBondContact OD1-CG 3.41Å; D483-R485 IonicContact OD1-CZ 3.02Å; D483-R485 PolarHBondContact OD1-N 3.3Å; D483-R485 IonicContact OD1-NE 3.74Å; D483-R485 PolarHBondContact OD1-NE 2.84Å; D483-R485 IonicContact OD2-CZ 2.76Å; D483-R485 VanDerWaalsContact OD2-CZ 3.26Å; D483-R485 IonicContact OD2-NE 3.14Å; D483-R485 PolarHBondContact OD2-NE 3.07Å; D483-R485 IonicContact OD2-NH2 3.18Å; D483-R485 PolarHBondContact OD2-NH2 3.42Å; R485-N487 VanDerWaalsContact C-N 3.32Å; R485-N487 PolarHBondContact O-N 3.26Å; R485-N487 PolarHBondContact O-ND2 3.19Å; R485-N487 VanDerWaalsContact O-ND2 3.11Å; R485-L504 HydrophobicContact CG-CB 3.67Å; R485-S506 CarbonylContact C-O 3.18Å; R485-S506 WeakPolarHBondContact CA-O 3.41Å; R485-S506 WeakPolarHBondContact CB-O 3.5Å; R485-S506 WeakPolarHBondContact CD-OG 3.47Å; R485-S506 WeakPolarHBondContact CG-OG 3.41Å; R485-E539 IonicContact NH2-OE1 2.71Å; R485-I549 VanDerWaalsContact NH1-CD1 3.3Å; R485-I549 VanDerWaalsContact NH1-CG2 3.31Å
486	G	96.7	Very high	95.3	Very high	24 Å²	24	32.1 Å²	32.1	25%	0.247	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	39.9	172	0	0	0	0	0	113.6	N461 N462 S506 G507	N461-G486 VanDerWaalsContact CA-O 3.24Å; N461-G486 WeakPolarHBondContact CA-O 3.23Å; N462-G486 PolarHBondContact N-O 3.24Å; N462-G486 VanDerWaalsContact O-O 3.08Å; G486-S506 PolarHBondContact N-O 3.05Å; G486-G507 WeakPolarHBondContact CA-O 3.43Å
487	N	97.5	Very high	95.1	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.053	17%	0.172	C	C	.	.	S	Bend	trans	-111.6	-171.6	174.8	-84.1	-84.4	0	0	0	110.5	M459 N462 C464 L484 R485 L489 N508	M459-N487 PolarHBondContact O-ND2 2.79Å; N462-N487 VanDerWaalsContact C-OD1 3.27Å; N462-N487 WeakPolarHBondContact CA-OD1 3.44Å; N462-N487 WeakPolarHBondContact CB-OD1 3.33Å; N462-N487 WeakPolarHBondContact O-CA 3.4Å; N462-N487 PolarHBondContact O-OD1 3.16Å; C464-N487 HydrophobicContact CB-CB 4.28Å; C464-N487 WeakPolarHBondContact CB-OD1 3.28Å; C464-N487 PolarHBondContact N-OD1 3.04Å; C464-N487 VanDerWaalsContact N-OD1 3.11Å; L484-N487 PolarHBondContact O-ND2 3.1Å; L484-N487 VanDerWaalsContact O-ND2 3.1Å; R485-N487 VanDerWaalsContact C-N 3.32Å; R485-N487 PolarHBondContact O-N 3.26Å; R485-N487 PolarHBondContact O-ND2 3.19Å; R485-N487 VanDerWaalsContact O-ND2 3.11Å; N487-L489 HydrophobicContact CB-CG 4.22Å; N487-N508 WeakPolarHBondContact CA-OD1 3.46Å; N487-N508 WeakPolarHBondContact CB-OD1 3.35Å; N487-N508 PolarHBondContact N-OD1 3.24Å; N487-N508 PolarHBondContact O-OD1 2.82Å
488	A	96.6	Very high	94.9	Very high	8 Å²	8	38.2 Å²	38.2	7%	0.066	19%	0.193	C	C	.	.			trans	-109.7	27.7	178.5	0	0	0	0	0	112.8	C464 H465	C464-A488 CarbonylContact O-C 3.21Å; C464-A488 WeakPolarHBondContact O-CA 3.47Å; C464-A488 PolarHBondContact O-N 3.19Å; H465-A488 VanDerWaalsContact CE1-CB 3.47Å; H465-A488 WeakPolarHBondContact CE1-CB 3.44Å; H465-A488 VanDerWaalsContact ND1-CB 3.29Å; H465-A488 WeakPolarHBondContact ND1-CB 3.43Å
489	L	95.7	Very high	94.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.			trans	-68.4	133.5	-176.7	-60.9	171.3	0	0	0	111	C464 F467 L484 N487 N508 Q509 W510	C464-L489 PolarHBondContact O-N 3.3Å; C464-L489 VanDerWaalsContact O-N 3.16Å; F467-L489 HydrophobicContact CB-CD2 4.17Å; L484-L489 HydrophobicContact CB-CD1 3.99Å; L484-L489 HydrophobicContact CD1-CD1 3.97Å; L484-L489 HydrophobicContact CG-CD1 4.4Å; N487-L489 HydrophobicContact CB-CG 4.22Å; L489-N508 HydrophobicContact CB-CB 4.27Å; L489-N508 VanDerWaalsContact CB-OD1 3.25Å; L489-N508 WeakPolarHBondContact CB-OD1 3.39Å; L489-N508 WeakPolarHBondContact CG-OD1 3.39Å; L489-N508 PolarHBondContact N-OD1 3.09Å; L489-Q509 CarbonylContact O-C 3.1Å; L489-Q509 WeakPolarHBondContact O-CA 3.38Å; L489-Q509 PolarHBondContact O-N 3.02Å; L489-W510 HydrophobicContact CB-CH2 3.9Å; L489-W510 HydrophobicContact CB-CZ2 4.43Å; L489-W510 HydrophobicContact CB-CZ3 4.1Å; L489-W510 HydrophobicContact CD1-CH2 4.02Å
490	T	95.2	Very high	94.8	Very high	42 Å²	42	37.2 Å²	37.2	26%	0.258	20%	0.198	S	C	.	.	S	Bend	trans	-101	-26.8	173.2	57.3	0	0	0	0	113.2	Q509 K511 T516	T490-Q509 WeakPolarHBondContact CA-O 3.36Å; T490-K511 HydrophobicContact CG2-CD 4.21Å; T490-K511 HydrophobicContact CG2-CG 4.14Å; T490-K511 PolarHBondContact O-N 3.02Å; T490-T516 WeakPolarHBondContact O-CG2 3.49Å
491	S	93.6	Very high	94.7	Very high	44 Å²	44	37.3 Å²	37.3	31%	0.308	20%	0.201	S	C	.	.			trans	-151.2	164.4	178.9	62.8	0	0	0	0	109.9
492	L	93.4	Very high	94.7	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	21%	0.211	C	C	.	.			trans	-145.8	129.9	-178.4	-175.8	64.3	0	0	0	110.3	F467 L484 T494 F496 L503 L505 W510 L519	F467-L492 HydrophobicContact CB-CD1 4.15Å; F467-L492 HydrophobicContact CD1-CD1 4.02Å; L484-L492 HydrophobicContact CD1-CD1 4.11Å; L484-L492 HydrophobicContact CD1-CD2 4.41Å; L492-T494 PolarHBondContact O-N 3.13Å; L492-F496 HydrophobicContact CD2-CZ 3.9Å; L492-F496 HydrophobicContact CG-CZ 4.22Å; L492-L503 HydrophobicContact CD2-CD2 4.32Å; L492-L505 HydrophobicContact CD2-CD1 4.38Å; L492-L505 HydrophobicContact CD2-CD2 3.7Å; L492-W510 HydrophobicContact CB-CH2 3.92Å; L492-W510 HydrophobicContact CB-CZ3 3.83Å; L492-W510 HydrophobicContact CD2-CH2 4.33Å; L492-L519 HydrophobicContact CB-CD2 4.36Å; L492-L519 HydrophobicContact CD2-CD1 4.27Å
493	V	91.9	Very high	94.7	Very high	65 Å²	65	39.2 Å²	39.2	39%	0.394	21%	0.211	S	C	.	.			trans	-75.5	112.4	175.5	-179.4	0	0	0	0	109.1	N495	V493-N495 HydrophobicContact CG1-CB 4.14Å; V493-N495 PolarHBondContact O-N 2.97Å
494	T	90.8	Very high	94.7	Very high	38 Å²	38	39.1 Å²	39.1	23%	0.233	21%	0.21	C	C	.	.			trans	-84.3	59.3	-179.2	54.7	0	0	0	0	112.9	L492 F496 P518 L519 Y522	L492-T494 PolarHBondContact O-N 3.13Å; T494-F496 HydrophobicContact CG2-CE2 4.16Å; T494-P518 WeakPolarHBondContact OG1-CB 3.42Å; T494-L519 HydrophobicContact CG2-CB 4.08Å; T494-L519 HydrophobicContact CG2-CD1 3.92Å; T494-Y522 HydrophobicContact CG2-CG 4.28Å
495	N	92.6	Very high	94.7	Very high	57 Å²	57	39.1 Å²	39.1	31%	0.305	21%	0.21	S	C	.	.			trans	-111.8	73.1	173	-176.5	21.5	0	0	0	109.4	T472 K473 V493	T472-N495 PolarHBondContact N-O 3.37Å; K473-N495 VanDerWaalsContact CB-O 3.27Å; K473-N495 WeakPolarHBondContact CB-O 3.41Å; K473-N495 PolarHBondContact N-O 3.4Å; V493-N495 HydrophobicContact CG1-CB 4.14Å; V493-N495 PolarHBondContact O-N 2.97Å
496	F	93.3	Very high	94.7	Very high	15 Å²	15	38.3 Å²	38.3	7%	0.066	21%	0.21	C	C	.	.			trans	-99.4	162	-178	-58.5	-68.4	0	0	0	112.2	T472 L482 L492 T494 M500 L503 Y522	T472-F496 HydrophobicContact CG2-CD1 4.06Å; T472-F496 HydrophobicContact CG2-CE1 4.26Å; L482-F496 HydrophobicContact CD2-CE1 4.04Å; L492-F496 HydrophobicContact CD2-CZ 3.9Å; L492-F496 HydrophobicContact CG-CZ 4.22Å; T494-F496 HydrophobicContact CG2-CE2 4.16Å; F496-M500 HydrophobicContact CB-CB 4.31Å; F496-M500 HydrophobicContact CB-CG 4.3Å; F496-L503 HydrophobicContact CD2-CD2 4.46Å; F496-L503 HydrophobicContact CE1-CD2 4.47Å; F496-L503 HydrophobicContact CE2-CD2 3.68Å; F496-L503 HydrophobicContact CZ-CD2 3.71Å; F496-Y522 HydrophobicContact CD2-CE1 4.09Å; F496-Y522 HydrophobicContact CD2-CE2 4.33Å; F496-Y522 AromaticContact CD2-CZ 3.92Å
497	S	91.5	Very high	94.7	Very high	16 Å²	16	40 Å²	40	11%	0.112	23%	0.227	C	C	.	.			trans	-62.9	155.4	171.4	-165.8	0	0	0	0	111.3	P477 N499 M500	P477-S497 VanDerWaalsContact O-CB 3.32Å; P477-S497 WeakPolarHBondContact O-CB 3.37Å; P477-S497 PolarHBondContact O-OG 2.95Å; S497-N499 PolarHBondContact O-N 3.47Å; S497-M500 WeakPolarHBondContact O-CB 3.15Å; S497-M500 PolarHBondContact O-N 2.95Å
498	E	90.9	Very high	94.7	Very high	168 Å²	168	40 Å²	40	79%	0.785	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-23.9	176.5	-69.8	174.1	-158.1	0	0	112.1	K473 M500	K473-E498 IonicContact NZ-OE1 3.95Å; E498-M500 PolarHBondContact O-N 3.1Å
499	N	93.6	Very high	94.7	Very high	112 Å²	112	44.6 Å²	44.6	60%	0.599	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	10.3	177.9	-61.1	-28.1	0	0	0	113.1	S497 E501	S497-N499 PolarHBondContact O-N 3.47Å; N499-E501 WeakPolarHBondContact O-CG 3.33Å; N499-E501 PolarHBondContact O-N 2.97Å
500	M	96.3	Very high	94.8	Very high	11 Å²	11	44.7 Å²	44.7	5%	0.054	25%	0.248	C	C	.	.			trans	-62.7	127.3	178.8	-163.2	68.6	-177.8	0	0	110.2	L482 F496 S497 E498 K502 L503 V529	L482-M500 HydrophobicContact CB-CE 3.44Å; L482-M500 VanDerWaalsContact CB-CE 3.44Å; F496-M500 HydrophobicContact CB-CB 4.31Å; F496-M500 HydrophobicContact CB-CG 4.3Å; S497-M500 WeakPolarHBondContact O-CB 3.15Å; S497-M500 PolarHBondContact O-N 2.95Å; E498-M500 PolarHBondContact O-N 3.1Å; M500-K502 WeakPolarHBondContact CE-O 3.14Å; M500-L503 HydrophobicContact CE-CB 4.09Å; M500-L503 HydrophobicContact CE-CD1 4.39Å; M500-V529 HydrophobicContact CB-CG1 4.11Å; M500-V529 HydrophobicContact CG-CG1 3.62Å; M500-V529 VanDerWaalsContact O-CG2 3.28Å; M500-V529 WeakPolarHBondContact O-CG2 3.14Å
501	E	95.7	Very high	94.8	Very high	83 Å²	83	47 Å²	47	39%	0.388	25%	0.254	S	S	.	.			trans	-109.6	-41	-174.7	-65.8	-177.3	179.4	0	0	112.6	R480 N499 V529	R480-E501 HydrophobicContact CB-CG 4.32Å; R480-E501 IonicContact CZ-OE1 3.43Å; R480-E501 IonicContact NE-OE1 2.76Å; R480-E501 PolarHBondContact NE-OE1 3.43Å; R480-E501 IonicContact NE-OE2 3.62Å; R480-E501 IonicContact NH2-OE1 3.94Å; R480-E501 PolarHBondContact NH2-OE1 3.09Å; R480-E501 IonicContact NH2-OE2 3.96Å; R480-E501 PolarHBondContact O-N 3.26Å; N499-E501 WeakPolarHBondContact O-CG 3.33Å; N499-E501 PolarHBondContact O-N 2.97Å; E501-V529 WeakPolarHBondContact O-CA 3.32Å
502	K	95.8	Very high	94.9	Very high	82 Å²	82	44.9 Å²	44.9	36%	0.357	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	129	-174.9	-71.8	-175.7	179.7	-179.6	0	111.5	R480 Y481 L482 M500 V529	R480-K502 PolarHBondContact O-N 3.26Å; R480-K502 VanDerWaalsContact O-N 3.08Å; Y481-K502 WeakPolarHBondContact CA-O 3.42Å; Y481-K502 HydrophobicContact CD2-CB 3.48Å; Y481-K502 VanDerWaalsContact CD2-CB 3.48Å; Y481-K502 HydrophobicContact CD2-CD 3.8Å; Y481-K502 HydrophobicContact CD2-CG 4.17Å; Y481-K502 HydrophobicContact CE2-CB 3.66Å; Y481-K502 HydrophobicContact CE2-CD 3.52Å; Y481-K502 HydrophobicContact CE2-CG 4.21Å; Y481-K502 HydrophobicContact CG-CB 4.29Å; L482-K502 PolarHBondContact N-O 3.36Å; M500-K502 WeakPolarHBondContact CE-O 3.14Å; K502-V529 CarbonylContact C-O 3.16Å; K502-V529 WeakPolarHBondContact CA-O 3.24Å
503	L	96.7	Very high	95	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	115.8	176	175	62.3	0	0	0	109.8	L482 L492 F496 M500 L505 V529 I530 N551	L482-L503 HydrophobicContact CB-CD1 3.83Å; L482-L503 HydrophobicContact CD2-CD1 3.8Å; L482-L503 HydrophobicContact CG-CD1 3.81Å; L482-L503 WeakPolarHBondContact O-CA 3.36Å; L492-L503 HydrophobicContact CD2-CD2 4.32Å; F496-L503 HydrophobicContact CD2-CD2 4.46Å; F496-L503 HydrophobicContact CE1-CD2 4.47Å; F496-L503 HydrophobicContact CE2-CD2 3.68Å; F496-L503 HydrophobicContact CZ-CD2 3.71Å; M500-L503 HydrophobicContact CE-CB 4.09Å; M500-L503 HydrophobicContact CE-CD1 4.39Å; L503-L505 HydrophobicContact CD1-CD2 3.82Å; L503-L505 HydrophobicContact CD1-CG 4.24Å; L503-L505 HydrophobicContact CD2-CD1 3.98Å; L503-L505 HydrophobicContact CD2-CD2 4.35Å; L503-L505 HydrophobicContact CD2-CG 4.35Å; L503-L505 HydrophobicContact CG-CD1 4Å; L503-L505 HydrophobicContact CG-CD2 3.96Å; L503-L505 HydrophobicContact CG-CG 3.85Å; L503-V529 HydrophobicContact CB-CG1 4.31Å; L503-V529 PolarHBondContact N-O 3.01Å; L503-I530 HydrophobicContact CB-CG1 4.04Å; L503-I530 HydrophobicContact CD2-CD1 3.87Å; L503-I530 HydrophobicContact CD2-CG1 4.05Å; L503-I530 HydrophobicContact CG-CG1 4.31Å; L503-N551 PolarHBondContact O-ND2 3.09Å
504	L	97.1	Very high	95.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129	-179.7	-52.6	-175.1	0	0	0	110.9	Y481 L482 D483 L484 R485 V534 N551	Y481-L504 WeakPolarHBondContact OH-CD1 3.48Å; L482-L504 PolarHBondContact O-N 3.08Å; D483-L504 HydrophobicContact CB-CB 4.44Å; L484-L504 PolarHBondContact N-O 3.05Å; R485-L504 HydrophobicContact CG-CB 3.67Å; L504-V534 HydrophobicContact CD2-CG2 3.96Å; L504-N551 WeakPolarHBondContact CA-OD1 3.27Å; L504-N551 HydrophobicContact CD2-CB 4.34Å
505	L	97.3	Very high	95.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.265	C	S	.	.			trans	-139	-2.5	-163.1	-65.3	177.8	0	0	0	114.4	L484 L492 L503 N508 W510 L519 I530 N551 I553	L484-L505 HydrophobicContact CB-CD2 4.22Å; L484-L505 HydrophobicContact CD1-CD2 4.22Å; L492-L505 HydrophobicContact CD2-CD1 4.38Å; L492-L505 HydrophobicContact CD2-CD2 3.7Å; L503-L505 HydrophobicContact CD1-CD2 3.82Å; L503-L505 HydrophobicContact CD1-CG 4.24Å; L503-L505 HydrophobicContact CD2-CD1 3.98Å; L503-L505 HydrophobicContact CD2-CD2 4.35Å; L503-L505 HydrophobicContact CD2-CG 4.35Å; L503-L505 HydrophobicContact CG-CD1 4Å; L503-L505 HydrophobicContact CG-CD2 3.96Å; L503-L505 HydrophobicContact CG-CG 3.85Å; L505-N508 PolarHBondContact O-ND2 3.17Å; L505-W510 HydrophobicContact CB-CZ2 3.87Å; L505-W510 HydrophobicContact CD1-CZ2 4.43Å; L505-W510 HydrophobicContact CD2-CH2 4.15Å; L505-W510 HydrophobicContact CD2-CZ2 3.92Å; L505-W510 HydrophobicContact CG-CZ2 4.29Å; L505-W510 PolarHBondContact O-NE1 2.85Å; L505-L519 HydrophobicContact CD1-CD1 3.84Å; L505-L519 HydrophobicContact CD1-CD2 4.34Å; L505-I530 HydrophobicContact CD1-CD1 4.16Å; L505-I530 HydrophobicContact CD1-CG2 4.35Å; L505-N551 PolarHBondContact N-OD1 3.2Å; L505-I553 HydrophobicContact CB-CG1 4.38Å; L505-I553 HydrophobicContact CD1-CD1 4.02Å; L505-I553 HydrophobicContact CD1-CG1 4.37Å
506	S	96.6	Very high	95.3	Very high	20 Å²	20	46.2 Å²	46.2	14%	0.14	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	154.6	-178.1	50.4	0	0	0	0	113.4	R485 G486 Y550 N551 N552	R485-S506 CarbonylContact C-O 3.18Å; R485-S506 WeakPolarHBondContact CA-O 3.41Å; R485-S506 WeakPolarHBondContact CB-O 3.5Å; R485-S506 WeakPolarHBondContact CD-OG 3.47Å; R485-S506 WeakPolarHBondContact CG-OG 3.41Å; G486-S506 PolarHBondContact N-O 3.05Å; S506-Y550 VanDerWaalsContact CB-O 3.23Å; S506-Y550 WeakPolarHBondContact CB-O 3.08Å; S506-Y550 PolarHBondContact OG-O 3.2Å; S506-N551 PolarHBondContact N-OD1 2.78Å; S506-N552 WeakPolarHBondContact CA-O 3.24Å
507	G	96.5	Very high	95.4	Very high	59 Å²	59	47.7 Å²	47.7	61%	0.608	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	26.1	178.3	0	0	0	0	0	114.7	G486	G486-G507 WeakPolarHBondContact CA-O 3.43Å
508	N	97.7	Very high	95.5	Very high	11 Å²	11	49.9 Å²	49.9	6%	0.059	27%	0.272	C	S	.	.	S	Bend	trans	-103.6	175.2	172.1	-81.7	-78.2	0	0	0	111.7	L484 N487 L489 L505 W510	L484-N508 PolarHBondContact O-ND2 3.11Å; N487-N508 WeakPolarHBondContact CA-OD1 3.46Å; N487-N508 WeakPolarHBondContact CB-OD1 3.35Å; N487-N508 PolarHBondContact N-OD1 3.24Å; N487-N508 PolarHBondContact O-OD1 2.82Å; L489-N508 HydrophobicContact CB-CB 4.27Å; L489-N508 VanDerWaalsContact CB-OD1 3.25Å; L489-N508 WeakPolarHBondContact CB-OD1 3.39Å; L489-N508 WeakPolarHBondContact CG-OD1 3.39Å; L489-N508 PolarHBondContact N-OD1 3.09Å; L505-N508 PolarHBondContact O-ND2 3.17Å; N508-W510 HydrophobicContact CB-CD2 4.21Å; N508-W510 HydrophobicContact CB-CG 4.45Å; N508-W510 HydrophobicContact CB-CZ2 3.72Å
509	Q	96.3	Very high	95.7	Very high	105 Å²	105	41.9 Å²	41.9	49%	0.491	24%	0.235	S	C	.	.			trans	-103.8	53.3	-176.1	-60.6	-176.1	42.6	0	0	112.7	L489 T490 K511 T556	L489-Q509 CarbonylContact O-C 3.1Å; L489-Q509 WeakPolarHBondContact O-CA 3.38Å; L489-Q509 PolarHBondContact O-N 3.02Å; T490-Q509 WeakPolarHBondContact CA-O 3.36Å; Q509-K511 PolarHBondContact O-N 2.88Å; Q509-T556 HydrophobicContact CB-CG2 4.27Å; Q509-T556 PolarHBondContact O-OG1 3Å; Q509-T556 VanDerWaalsContact O-OG1 3.14Å
510	W	97.2	Very high	95.9	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	122.3	-170.2	-60.5	110.5	0	0	0	113.8	L489 L492 L505 N508 C512 T516 L519 I553 T556	L489-W510 HydrophobicContact CB-CH2 3.9Å; L489-W510 HydrophobicContact CB-CZ2 4.43Å; L489-W510 HydrophobicContact CB-CZ3 4.1Å; L489-W510 HydrophobicContact CD1-CH2 4.02Å; L492-W510 HydrophobicContact CB-CH2 3.92Å; L492-W510 HydrophobicContact CB-CZ3 3.83Å; L492-W510 HydrophobicContact CD2-CH2 4.33Å; L505-W510 HydrophobicContact CB-CZ2 3.87Å; L505-W510 HydrophobicContact CD1-CZ2 4.43Å; L505-W510 HydrophobicContact CD2-CH2 4.15Å; L505-W510 HydrophobicContact CD2-CZ2 3.92Å; L505-W510 HydrophobicContact CG-CZ2 4.29Å; L505-W510 PolarHBondContact O-NE1 2.85Å; N508-W510 HydrophobicContact CB-CD2 4.21Å; N508-W510 HydrophobicContact CB-CG 4.45Å; N508-W510 HydrophobicContact CB-CZ2 3.72Å; W510-C512 PolarHBondContact O-N 3.33Å; W510-T516 HydrophobicContact CE3-CG2 4.28Å; W510-L519 HydrophobicContact CD2-CD2 4.25Å; W510-L519 HydrophobicContact CE3-CD2 3.83Å; W510-L519 HydrophobicContact CH2-CD2 3.94Å; W510-L519 HydrophobicContact CZ2-CD2 4.34Å; W510-L519 HydrophobicContact CZ3-CD2 3.65Å; W510-I553 HydrophobicContact CB-CG2 4.35Å; W510-I553 VanDerWaalsContact CD1-CG2 3.4Å; W510-I553 HydrophobicContact CD2-CG2 3.93Å; W510-I553 HydrophobicContact CG-CG2 3.63Å; W510-T556 PolarHBondContact O-N 2.81Å; W510-T556 PolarHBondContact O-OG1 3.49Å
511	K	95.9	Very high	95.9	Very high	90 Å²	90	39.7 Å²	39.7	39%	0.391	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	97.9	170.2	-67.1	-174	176.2	176.2	0	109.2	T490 Q509 D513 T516 S557	T490-K511 HydrophobicContact CG2-CD 4.21Å; T490-K511 HydrophobicContact CG2-CG 4.14Å; T490-K511 PolarHBondContact O-N 3.02Å; Q509-K511 PolarHBondContact O-N 2.88Å; K511-D513 PolarHBondContact O-N 3.03Å; K511-T516 WeakPolarHBondContact O-CB 3.46Å; K511-T516 WeakPolarHBondContact O-CG2 3.49Å; K511-T516 PolarHBondContact O-OG1 3.29Å; K511-S557 CarbonylContact C-O 3.23Å; K511-S557 WeakPolarHBondContact CG-OG 3.37Å
512	C	96	Very high	95.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.212	C	C	.	.			trans	-74.7	63.9	-179.8	-65.3	0	0	0	0	111.4	W510 T516 C555 S557 P558 A561 L566 H573	W510-C512 PolarHBondContact O-N 3.33Å; C512-T516 VanDerWaalsContact CA-OG1 3.29Å; C512-T516 WeakPolarHBondContact CA-OG1 3.43Å; C512-C555 HydrophobicContact CB-CB 3.76Å; C512-C555 WeakPolarHBondContact CB-SG 3.47Å; C512-C555 WeakPolarHBondContact SG-CA 3.5Å; C512-C555 WeakPolarHBondContact SG-CB 3.45Å; C512-C555 CovalentContact SG-SG 2.01Å; C512-C555 PolarHBondContact SG-SG 2.77Å; C512-S557 PolarHBondContact N-O 3.49Å; C512-P558 VanDerWaalsContact O-CD 3.26Å; C512-P558 WeakPolarHBondContact O-CD 3.44Å; C512-A561 HydrophobicContact CB-CB 4.23Å; C512-L566 HydrophobicContact CB-CD1 4.07Å; C512-L566 VanDerWaalsContact SG-CD1 3.58Å; C512-H573 PolarHBondContact O-NE2 3.16Å
513	D	94.6	Very high	96	Very high	58 Å²	58	33.6 Å²	33.6	31%	0.31	20%	0.196	S	C	.	.	S	Bend	trans	-123.8	-165	173.5	63.6	26.5	0	0	0	110.1	K511 T515 T516 L517 F574	K511-D513 PolarHBondContact O-N 3.03Å; D513-T515 PolarHBondContact O-N 2.87Å; D513-T515 VanDerWaalsContact OD1-CB 3.25Å; D513-T515 WeakPolarHBondContact OD1-CB 3.3Å; D513-T515 WeakPolarHBondContact OD1-CG2 3.29Å; D513-T515 PolarHBondContact OD1-N 3.25Å; D513-T515 PolarHBondContact OD1-OG1 3.42Å; D513-T516 PolarHBondContact N-OG1 3.2Å; D513-T516 PolarHBondContact O-N 3.47Å; D513-T516 VanDerWaalsContact O-N 3.09Å; D513-T516 PolarHBondContact O-OG1 3.23Å; D513-L517 PolarHBondContact O-N 3Å; D513-F574 WeakPolarHBondContact O-CE1 3.33Å
514	C	94.3	Very high	95.9	Very high	63 Å²	63	37.8 Å²	37.8	43%	0.426	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-23	-179.9	-58	0	0	0	0	114.2	T516 C577	C514-T516 VanDerWaalsContact C-N 3.32Å; C514-T516 PolarHBondContact O-N 3.06Å; C514-C577 WeakPolarHBondContact CA-SG 3.04Å; C514-C577 HydrophobicContact CB-CB 3.74Å; C514-C577 WeakPolarHBondContact CB-SG 3.3Å; C514-C577 VanDerWaalsContact SG-CA 3.58Å; C514-C577 WeakPolarHBondContact SG-CB 3.29Å; C514-C577 CovalentContact SG-SG 2.03Å; C514-C577 PolarHBondContact SG-SG 3.13Å
515	T	93.1	Very high	95.9	Very high	76 Å²	76	44.3 Å²	44.3	47%	0.466	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-22.5	179.7	69.6	0	0	0	0	113.5	D513	D513-T515 PolarHBondContact O-N 2.87Å; D513-T515 VanDerWaalsContact OD1-CB 3.25Å; D513-T515 WeakPolarHBondContact OD1-CB 3.3Å; D513-T515 WeakPolarHBondContact OD1-CG2 3.29Å; D513-T515 PolarHBondContact OD1-N 3.25Å; D513-T515 PolarHBondContact OD1-OG1 3.42Å
516	T	94.6	Very high	95.9	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-0	177.9	51.7	0	0	0	0	113.4	T490 W510 K511 C512 D513 C514 P518 L519 R520	T490-T516 WeakPolarHBondContact O-CG2 3.49Å; W510-T516 HydrophobicContact CE3-CG2 4.28Å; K511-T516 WeakPolarHBondContact O-CB 3.46Å; K511-T516 WeakPolarHBondContact O-CG2 3.49Å; K511-T516 PolarHBondContact O-OG1 3.29Å; C512-T516 VanDerWaalsContact CA-OG1 3.29Å; C512-T516 WeakPolarHBondContact CA-OG1 3.43Å; D513-T516 PolarHBondContact N-OG1 3.2Å; D513-T516 PolarHBondContact O-N 3.47Å; D513-T516 VanDerWaalsContact O-N 3.09Å; D513-T516 PolarHBondContact O-OG1 3.23Å; C514-T516 VanDerWaalsContact C-N 3.32Å; C514-T516 PolarHBondContact O-N 3.06Å; T516-P518 VanDerWaalsContact C-CD 3.46Å; T516-P518 VanDerWaalsContact C-N 3.32Å; T516-L519 WeakPolarHBondContact O-CA 3.28Å; T516-L519 WeakPolarHBondContact O-CB 3.47Å; T516-L519 PolarHBondContact O-N 3.06Å; T516-R520 PolarHBondContact O-N 3.14Å
517	L	95	Very high	95.8	Very high	46 Å²	46	51.2 Å²	51.2	24%	0.241	28%	0.283	C	S	.	.	H	α-helix	trans	-53.7	-41	172.4	178.3	60.2	0	0	0	113.1	D513 L519 R520 T521 F574 C577	D513-L517 PolarHBondContact O-N 3Å; L517-L519 VanDerWaalsContact C-N 3.35Å; L517-L519 PolarHBondContact O-N 2.77Å; L517-R520 PolarHBondContact O-N 2.92Å; L517-T521 WeakPolarHBondContact O-CB 3.22Å; L517-T521 PolarHBondContact O-N 3.46Å; L517-T521 PolarHBondContact O-OG1 2.59Å; L517-F574 HydrophobicContact CB-CD1 3.97Å; L517-F574 HydrophobicContact CB-CE1 4.4Å; L517-F574 HydrophobicContact CD1-CB 3.84Å; L517-F574 HydrophobicContact CD1-CD1 3.97Å; L517-F574 HydrophobicContact CD1-CD2 4.38Å; L517-F574 HydrophobicContact CD1-CG 3.81Å; L517-F574 HydrophobicContact CD2-CB 4.32Å; L517-F574 HydrophobicContact CG-CD1 4.44Å; L517-C577 HydrophobicContact CD2-CB 3.77Å
518	P	94.7	Very high	95.7	Very high	62 Å²	62	54.1 Å²	54.1	40%	0.403	28%	0.281	S	S	.	.	H	α-helix	trans	-60.7	-42	173.7	-24.7	35.8	0	0	0	112.8	T494 T516 T521 Y522	T494-P518 WeakPolarHBondContact OG1-CB 3.42Å; T516-P518 VanDerWaalsContact C-CD 3.46Å; T516-P518 VanDerWaalsContact C-N 3.32Å; P518-T521 PolarHBondContact O-N 2.92Å; P518-Y522 WeakPolarHBondContact O-CB 3.47Å; P518-Y522 PolarHBondContact O-N 3.34Å
519	L	95.9	Very high	95.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-45.3	175.9	-178.7	60.8	0	0	0	112.2	L492 T494 L505 W510 T516 L517 T521 Y522 S523 I530 I553 L566	L492-L519 HydrophobicContact CB-CD2 4.36Å; L492-L519 HydrophobicContact CD2-CD1 4.27Å; T494-L519 HydrophobicContact CG2-CB 4.08Å; T494-L519 HydrophobicContact CG2-CD1 3.92Å; L505-L519 HydrophobicContact CD1-CD1 3.84Å; L505-L519 HydrophobicContact CD1-CD2 4.34Å; W510-L519 HydrophobicContact CD2-CD2 4.25Å; W510-L519 HydrophobicContact CE3-CD2 3.83Å; W510-L519 HydrophobicContact CH2-CD2 3.94Å; W510-L519 HydrophobicContact CZ2-CD2 4.34Å; W510-L519 HydrophobicContact CZ3-CD2 3.65Å; T516-L519 WeakPolarHBondContact O-CA 3.28Å; T516-L519 WeakPolarHBondContact O-CB 3.47Å; T516-L519 PolarHBondContact O-N 3.06Å; L517-L519 VanDerWaalsContact C-N 3.35Å; L517-L519 PolarHBondContact O-N 2.77Å; L519-T521 VanDerWaalsContact C-N 3.35Å; L519-T521 PolarHBondContact O-N 3.14Å; L519-Y522 PolarHBondContact O-N 3.29Å; L519-S523 WeakPolarHBondContact O-CB 3.43Å; L519-S523 PolarHBondContact O-N 2.91Å; L519-S523 PolarHBondContact O-OG 2.92Å; L519-I530 HydrophobicContact CD1-CD1 4.16Å; L519-I553 HydrophobicContact CD2-CD1 4.48Å; L519-I553 HydrophobicContact CD2-CG2 4.24Å; L519-I553 HydrophobicContact CG-CD1 4.39Å; L519-L566 HydrophobicContact CB-CD2 4.26Å; L519-L566 HydrophobicContact CD2-CD2 4.17Å; L519-L566 HydrophobicContact CG-CD2 4.08Å
520	R	96.8	Very high	95.7	Very high	24 Å²	24	49 Å²	49	9%	0.091	26%	0.257	C	S	.	.	H	α-helix	trans	-56.7	-51.4	174.6	-176.1	175.2	172.9	-86.3	6.8	110.6	T516 L517 Y522 S523 L524 L566 V569 S571	T516-R520 PolarHBondContact O-N 3.14Å; L517-R520 PolarHBondContact O-N 2.92Å; R520-Y522 PolarHBondContact O-N 2.79Å; R520-S523 PolarHBondContact O-N 3.23Å; R520-S523 PolarHBondContact O-OG 2.83Å; R520-L524 HydrophobicContact CG-CD1 4.11Å; R520-L524 WeakPolarHBondContact O-CG 3.43Å; R520-L524 PolarHBondContact O-N 3.27Å; R520-L566 HydrophobicContact CB-CD1 4Å; R520-L566 HydrophobicContact CB-CD2 3.89Å; R520-L566 HydrophobicContact CB-CG 3.73Å; R520-L566 WeakPolarHBondContact CD-O 3.42Å; R520-L566 HydrophobicContact CG-CD1 4.37Å; R520-L566 HydrophobicContact CG-CG 4.08Å; R520-L566 PolarHBondContact NE-O 3.36Å; R520-V569 PolarHBondContact NE-O 2.91Å; R520-V569 PolarHBondContact NH2-O 3.32Å; R520-S571 PolarHBondContact NH2-OG 3.16Å; R520-S571 VanDerWaalsContact NH2-OG 3.11Å
521	T	95.9	Very high	95.6	Very high	53 Å²	53	50.1 Å²	50.1	33%	0.325	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-47.7	-177.9	-56.7	0	0	0	0	111.1	L517 P518 L519 S523 L524 Q525	L517-T521 WeakPolarHBondContact O-CB 3.22Å; L517-T521 PolarHBondContact O-N 3.46Å; L517-T521 PolarHBondContact O-OG1 2.59Å; P518-T521 PolarHBondContact O-N 2.92Å; L519-T521 VanDerWaalsContact C-N 3.35Å; L519-T521 PolarHBondContact O-N 3.14Å; T521-S523 PolarHBondContact O-N 3.32Å; T521-L524 PolarHBondContact O-N 2.79Å; T521-Q525 WeakPolarHBondContact O-CB 3.22Å; T521-Q525 WeakPolarHBondContact O-CG 3.5Å; T521-Q525 PolarHBondContact O-N 3.26Å
522	Y	96.3	Very high	95.5	Very high	37 Å²	37	50.8 Å²	50.8	15%	0.145	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-44.4	177.4	-172.9	-90.5	0	0	0	111.9	T494 F496 P518 L519 R520 L524 Q525 K526 V529 I530	T494-Y522 HydrophobicContact CG2-CG 4.28Å; F496-Y522 HydrophobicContact CD2-CE1 4.09Å; F496-Y522 HydrophobicContact CD2-CE2 4.33Å; F496-Y522 AromaticContact CD2-CZ 3.92Å; P518-Y522 WeakPolarHBondContact O-CB 3.47Å; P518-Y522 PolarHBondContact O-N 3.34Å; L519-Y522 PolarHBondContact O-N 3.29Å; R520-Y522 PolarHBondContact O-N 2.79Å; Y522-L524 VanDerWaalsContact C-N 3.33Å; Y522-L524 PolarHBondContact O-N 3.48Å; Y522-Q525 PolarHBondContact O-N 2.85Å; Y522-K526 HydrophobicContact CE1-CB 4.28Å; Y522-K526 HydrophobicContact CE2-CG 4.29Å; Y522-K526 WeakPolarHBondContact O-CB 3.48Å; Y522-K526 PolarHBondContact O-N 2.83Å; Y522-V529 HydrophobicContact CE1-CG1 4.19Å; Y522-I530 HydrophobicContact CD1-CD1 3.73Å; Y522-I530 HydrophobicContact CD1-CG1 4.45Å; Y522-I530 HydrophobicContact CE1-CD1 4.13Å; Y522-I530 HydrophobicContact CE1-CG1 4.41Å
523	S	96.7	Very high	95.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-33.8	-179.8	73.1	0	0	0	0	113.8	L519 R520 T521 R567	L519-S523 WeakPolarHBondContact O-CB 3.43Å; L519-S523 PolarHBondContact O-N 2.91Å; L519-S523 PolarHBondContact O-OG 2.92Å; R520-S523 PolarHBondContact O-N 3.23Å; R520-S523 PolarHBondContact O-OG 2.83Å; T521-S523 PolarHBondContact O-N 3.32Å; S523-R567 WeakPolarHBondContact OG-CG 2.98Å
524	L	96.4	Very high	95.1	Very high	87 Å²	87	54 Å²	54	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-76.5	-35.1	176	-68.3	173.4	0	0	0	112.1	R520 T521 Y522 R567	R520-L524 HydrophobicContact CG-CD1 4.11Å; R520-L524 WeakPolarHBondContact O-CG 3.43Å; R520-L524 PolarHBondContact O-N 3.27Å; T521-L524 PolarHBondContact O-N 2.79Å; Y522-L524 VanDerWaalsContact C-N 3.33Å; Y522-L524 PolarHBondContact O-N 3.48Å; L524-R567 HydrophobicContact CD2-CB 4.08Å; L524-R567 HydrophobicContact CD2-CG 4.26Å
525	Q	96.5	Very high	94.7	Very high	138 Å²	138	57.7 Å²	57.7	65%	0.645	29%	0.289	S	S	*	.	H	α-helix	trans	-77.1	-27.8	177.9	-71.7	177	-2.8	0	0	113.2	T521 Y522 P527	T521-Q525 WeakPolarHBondContact O-CB 3.22Å; T521-Q525 WeakPolarHBondContact O-CG 3.5Å; T521-Q525 PolarHBondContact O-N 3.26Å; Y522-Q525 PolarHBondContact O-N 2.85Å; Q525-P527 VanDerWaalsContact C-CD 3.43Å
526	K	96.3	Very high	93.8	Very high	89 Å²	89	56.4 Å²	56.4	39%	0.387	28%	0.282	S	S	.	.			trans	-128.3	60.1	-174.7	-61	-70.1	-173.7	170.5	0	111.9	Y522 Q528 V529 I530	Y522-K526 HydrophobicContact CE1-CB 4.28Å; Y522-K526 HydrophobicContact CE2-CG 4.29Å; Y522-K526 WeakPolarHBondContact O-CB 3.48Å; Y522-K526 PolarHBondContact O-N 2.83Å; K526-Q528 PolarHBondContact O-N 3.06Å; K526-V529 HydrophobicContact CB-CB 4.05Å; K526-V529 HydrophobicContact CB-CG2 3.95Å; K526-V529 PolarHBondContact O-N 3.1Å; K526-I530 PolarHBondContact O-N 2.84Å
527	P	95.7	Very high	92.6	Very high	75 Å²	75	62 Å²	62	49%	0.487	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.3	-177.4	27.1	-36.1	0	0	0	113.8	Q525 V529 I530 P531	Q525-P527 VanDerWaalsContact C-CD 3.43Å; P527-V529 VanDerWaalsContact C-N 3.34Å; P527-I530 CarbonylContact O-C 3.13Å; P527-I530 VanDerWaalsContact O-C 3.25Å; P527-P531 WeakPolarHBondContact O-CA 3.28Å; P527-P531 VanDerWaalsContact O-N 3.15Å
528	Q	94.6	Very high	90.8	Very high	121 Å²	121	61 Å²	61	57%	0.565	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-28.4	173.2	70.9	-74.7	-0.8	0	0	113.2	K526	K526-Q528 PolarHBondContact O-N 3.06Å
529	V	96.1	Very high	88.8	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.036	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-39.1	179	-177.8	0	0	0	0	110.8	M500 E501 K502 L503 Y522 K526 P527 P531	M500-V529 HydrophobicContact CB-CG1 4.11Å; M500-V529 HydrophobicContact CG-CG1 3.62Å; M500-V529 VanDerWaalsContact O-CG2 3.28Å; M500-V529 WeakPolarHBondContact O-CG2 3.14Å; E501-V529 WeakPolarHBondContact O-CA 3.32Å; K502-V529 CarbonylContact C-O 3.16Å; K502-V529 WeakPolarHBondContact CA-O 3.24Å; L503-V529 HydrophobicContact CB-CG1 4.31Å; L503-V529 PolarHBondContact N-O 3.01Å; Y522-V529 HydrophobicContact CE1-CG1 4.19Å; K526-V529 HydrophobicContact CB-CB 4.05Å; K526-V529 HydrophobicContact CB-CG2 3.95Å; K526-V529 PolarHBondContact O-N 3.1Å; P527-V529 VanDerWaalsContact C-N 3.34Å; V529-P531 WeakPolarHBondContact O-CD 3.32Å
530	I	96.8	Very high	86.7	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.345	C	S	.	.	S	Bend	trans	-115.3	70.8	174	-49.6	178.4	0	0	0	108.7	L503 L505 L519 Y522 K526 P527 I553 R567	L503-I530 HydrophobicContact CB-CG1 4.04Å; L503-I530 HydrophobicContact CD2-CD1 3.87Å; L503-I530 HydrophobicContact CD2-CG1 4.05Å; L503-I530 HydrophobicContact CG-CG1 4.31Å; L505-I530 HydrophobicContact CD1-CD1 4.16Å; L505-I530 HydrophobicContact CD1-CG2 4.35Å; L519-I530 HydrophobicContact CD1-CD1 4.16Å; Y522-I530 HydrophobicContact CD1-CD1 3.73Å; Y522-I530 HydrophobicContact CD1-CG1 4.45Å; Y522-I530 HydrophobicContact CE1-CD1 4.13Å; Y522-I530 HydrophobicContact CE1-CG1 4.41Å; K526-I530 PolarHBondContact O-N 2.84Å; P527-I530 CarbonylContact O-C 3.13Å; P527-I530 VanDerWaalsContact O-C 3.25Å; I530-I553 HydrophobicContact CG2-CD1 4.16Å; I530-R567 PolarHBondContact O-NH1 3.44Å; I530-R567 VanDerWaalsContact O-NH1 3.14Å
531	P	95.1	Very high	83.9	Confident	25 Å²	25	73.6 Å²	73.6	16%	0.162	38%	0.376	C	S	.	.			trans	-63.5	155.2	178.8	29.5	-36.5	0	0	0	110.1	P527 V529 V534 N551	P527-P531 WeakPolarHBondContact O-CA 3.28Å; P527-P531 VanDerWaalsContact O-N 3.15Å; V529-P531 WeakPolarHBondContact O-CD 3.32Å; P531-V534 HydrophobicContact CB-CG2 4.19Å; P531-V534 HydrophobicContact CG-CG2 3.32Å; P531-N551 VanDerWaalsContact O-CB 3.24Å; P531-N551 WeakPolarHBondContact O-CB 3.4Å; P531-N551 PolarHBondContact O-ND2 3.06Å
532	R	94.6	Very high	81.3	Confident	105 Å²	105	78.1 Å²	78.1	40%	0.396	39%	0.393	S	S	.	.	S	Bend	trans	-74.1	-28.1	174.4	-73.9	-169.3	-179.1	-112.6	9.1	112.8	N551 D565 D568	R532-N551 PolarHBondContact O-N 3.19Å; R532-D565 IonicContact NH1-OD2 3.29Å; R532-D568 IonicContact CZ-OD1 3.7Å; R532-D568 IonicContact CZ-OD2 3.9Å; R532-D568 IonicContact NH1-OD1 3.33Å; R532-D568 IonicContact NH1-OD2 3.67Å; R532-D568 PolarHBondContact NH1-OD2 2.81Å; R532-D568 IonicContact NH2-OD1 2.75Å; R532-D568 PolarHBondContact NH2-OD1 3Å; R532-D568 IonicContact NH2-OD2 2.97Å; R532-D568 PolarHBondContact NH2-OD2 2.04Å
533	Q	92.9	Very high	79.1	Confident	112 Å²	112	80.5 Å²	80.5	52%	0.523	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.7	176.6	65.8	-173.7	11.2	0	0	110.3	T548 I549 Y550	Q533-T548 HydrophobicContact CB-CG2 4.1Å; Q533-I549 CarbonylContact C-O 3.44Å; Q533-I549 WeakPolarHBondContact CA-O 3.04Å; Q533-Y550 HydrophobicContact CB-CD1 4.22Å
534	V	89.6	Confident	77.1	Confident	13 Å²	13	88 Å²	88	8%	0.079	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.4	176.3	-179.1	0	0	0	0	108.4	L504 P531 I549	L504-V534 HydrophobicContact CD2-CG2 3.96Å; P531-V534 HydrophobicContact CB-CG2 4.19Å; P531-V534 HydrophobicContact CG-CG2 3.32Å; V534-I549 PolarHBondContact N-O 3.06Å; V534-I549 PolarHBondContact O-N 2.85Å
535	E	85.2	Confident	75.5	Confident	141 Å²	141	86.2 Å²	86.2	66%	0.659	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.4	131	167.3	-67	177.8	-179.9	0	0	108.9	I547	E535-I547 WeakPolarHBondContact CA-O 3.45Å
536	T	74.9	Confident	74.5	Confident	49 Å²	49	84.4 Å²	84.4	30%	0.301	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	161.7	175.7	-174.2	0	0	0	0	109.7	T546 I547 I549	T536-T546 CarbonylContact O-C 3.47Å; T536-T546 WeakPolarHBondContact O-CA 3.49Å; T536-I547 HydrophobicContact CG2-CD1 3.98Å; T536-I547 HydrophobicContact CG2-CG1 3.62Å; T536-I547 PolarHBondContact N-O 3.19Å; T536-I547 WeakPolarHBondContact O-CG1 3.33Å; T536-I547 PolarHBondContact O-N 3.03Å; T536-I549 HydrophobicContact CG2-CD1 3.33Å; T536-I549 HydrophobicContact CG2-CG1 4.06Å
537	H	69.1	Low	73.7	Confident	116 Å²	116	83.3 Å²	83.3	54%	0.537	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	145.8	168.2	-62.6	-86.6	0	0	0	109.8	E539 P543 S545	H537-E539 PolarHBondContact O-N 3.24Å; H537-P543 PolarHBondContact ND1-O 2.9Å; H537-S545 WeakPolarHBondContact CA-O 3.38Å
538	A	56	Low	73.3	Confident	27 Å²	27	82.7 Å²	82.7	22%	0.223	44%	0.439	C	S	.	.			trans	-57.1	135.6	174.1	0	0	0	0	0	110.9	G540 S545 I547	A538-G540 PolarHBondContact O-N 3.45Å; A538-S545 WeakPolarHBondContact CB-OG 3.42Å; A538-S545 PolarHBondContact N-O 3.35Å; A538-I547 HydrophobicContact CB-CG2 4Å
539	E	53.5	Low	72.9	Confident	136 Å²	136	77.6 Å²	77.6	64%	0.636	42%	0.415	S	S	*	.	S	Bend	trans	-71.5	96.3	173.5	-69.3	171.3	-165.4	0	0	109	R485 H537	R485-E539 IonicContact NH2-OE1 2.71Å; H537-E539 PolarHBondContact O-N 3.24Å
540	G	50.9	Low	72.8	Confident	56 Å²	56	84.3 Å²	84.3	58%	0.577	44%	0.441	S	S	*	.	S	Bend	trans	157.5	179.1	-178	0	0	0	0	0	114.5	A538 E542	A538-G540 PolarHBondContact O-N 3.45Å; G540-E542 PolarHBondContact O-N 3.09Å
541	E	38.9	Very low	72.8	Confident	158 Å²	158	84.2 Å²	84.2	74%	0.738	44%	0.441	S	S	*	.	S	Bend	trans	-65.3	2	-170.7	-70.3	-178.5	171.7	0	0	116	P543	E541-P543 WeakPolarHBondContact O-CD 3.37Å
542	E	41.1	Very low	72.8	Confident	148 Å²	148	86.1 Å²	86.1	69%	0.692	45%	0.449	S	S	*	.			trans	-116.6	89.8	176.7	-70.8	-170.6	173.9	0	0	111.4	G540 D544	G540-E542 PolarHBondContact O-N 3.09Å; E542-D544 PolarHBondContact O-N 3.26Å
543	P	50.1	Low	72.9	Confident	86 Å²	86	81.1 Å²	81.1	56%	0.558	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-5	-177.7	24	-32.1	0	0	0	115.2	H537 E541	H537-P543 PolarHBondContact ND1-O 2.9Å; E541-P543 WeakPolarHBondContact O-CD 3.37Å
544	D	54.2	Low	73.1	Confident	160 Å²	160	78.4 Å²	78.4	86%	0.856	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-0.9	-171.8	-69.4	-23.7	0	0	0	115	E542	E542-D544 PolarHBondContact O-N 3.26Å
545	S	63	Low	73.5	Confident	49 Å²	49	77.9 Å²	77.9	34%	0.343	42%	0.419	S	S	.	.			trans	-102.7	120.3	175.5	62	0	0	0	0	111.8	H537 A538	H537-S545 WeakPolarHBondContact CA-O 3.38Å; A538-S545 WeakPolarHBondContact CB-OG 3.42Å; A538-S545 PolarHBondContact N-O 3.35Å
546	T	75.8	Confident	74.1	Confident	100 Å²	100	74.5 Å²	74.5	61%	0.613	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.7	168.7	45.6	0	0	0	0	109.6	T536	T536-T546 CarbonylContact O-C 3.47Å; T536-T546 WeakPolarHBondContact O-CA 3.49Å
547	I	80.7	Confident	75.1	Confident	65 Å²	65	74 Å²	74	33%	0.333	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	139	174.3	61.6	167.5	0	0	0	109.8	E535 T536 A538 I549	E535-I547 WeakPolarHBondContact CA-O 3.45Å; T536-I547 HydrophobicContact CG2-CD1 3.98Å; T536-I547 HydrophobicContact CG2-CG1 3.62Å; T536-I547 PolarHBondContact N-O 3.19Å; T536-I547 WeakPolarHBondContact O-CG1 3.33Å; T536-I547 PolarHBondContact O-N 3.03Å; A538-I547 HydrophobicContact CB-CG2 4Å; I547-I549 HydrophobicContact CD1-CG1 4.36Å
548	T	86	Confident	76.3	Confident	62 Å²	62	70 Å²	70	38%	0.38	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	115.3	171.3	-50.8	0	0	0	0	109.1	Q533 Y550	Q533-T548 HydrophobicContact CB-CG2 4.1Å; T548-Y550 HydrophobicContact CG2-CE1 4.26Å; T548-Y550 HydrophobicContact CG2-CE2 4.48Å
549	I	87.3	Confident	78.1	Confident	15 Å²	15	74.4 Å²	74.4	8%	0.077	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.4	172.1	-63.4	166.1	0	0	0	108.3	R485 Q533 V534 T536 I547	R485-I549 VanDerWaalsContact NH1-CD1 3.3Å; R485-I549 VanDerWaalsContact NH1-CG2 3.31Å; Q533-I549 CarbonylContact C-O 3.44Å; Q533-I549 WeakPolarHBondContact CA-O 3.04Å; V534-I549 PolarHBondContact N-O 3.06Å; V534-I549 PolarHBondContact O-N 2.85Å; T536-I549 HydrophobicContact CG2-CD1 3.33Å; T536-I549 HydrophobicContact CG2-CG1 4.06Å; I547-I549 HydrophobicContact CD1-CG1 4.36Å
550	Y	93.5	Very high	79.9	Confident	146 Å²	146	73.9 Å²	73.9	57%	0.573	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	129.3	168.6	-61.4	-77	0	0	0	110.5	S506 Q533 T548	S506-Y550 VanDerWaalsContact CB-O 3.23Å; S506-Y550 WeakPolarHBondContact CB-O 3.08Å; S506-Y550 PolarHBondContact OG-O 3.2Å; Q533-Y550 HydrophobicContact CB-CD1 4.22Å; T548-Y550 HydrophobicContact CG2-CE1 4.26Å; T548-Y550 HydrophobicContact CG2-CE2 4.48Å
551	N	95.6	Very high	82	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	39%	0.387	C	S	.	.			trans	-116.6	55.2	-174.3	-172	37.1	0	0	0	110.3	L503 L504 L505 S506 P531 R532 R567	L503-N551 PolarHBondContact O-ND2 3.09Å; L504-N551 WeakPolarHBondContact CA-OD1 3.27Å; L504-N551 HydrophobicContact CD2-CB 4.34Å; L505-N551 PolarHBondContact N-OD1 3.2Å; S506-N551 PolarHBondContact N-OD1 2.78Å; P531-N551 VanDerWaalsContact O-CB 3.24Å; P531-N551 WeakPolarHBondContact O-CB 3.4Å; P531-N551 PolarHBondContact O-ND2 3.06Å; R532-N551 PolarHBondContact O-N 3.19Å; N551-R567 PolarHBondContact O-NH2 3.49Å
552	N	96	Very high	84.7	Confident	64 Å²	64	65.9 Å²	65.9	34%	0.342	37%	0.369	S	S	.	.			trans	-79.2	134.5	176.5	-70.4	-5.7	0	0	0	110.9	S506 T554 D565	S506-N552 WeakPolarHBondContact CA-O 3.24Å; N552-T554 VanDerWaalsContact C-N 3.35Å; N552-T554 PolarHBondContact O-N 3.15Å; N552-D565 WeakPolarHBondContact CA-OD2 3.37Å; N552-D565 WeakPolarHBondContact CB-OD2 3.3Å
553	I	97.1	Very high	87.3	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	37%	0.366	C	S	.	.			trans	-94.6	72.2	175.1	-53.1	176.6	0	0	0	107.1	L505 W510 L519 I530 C555 D565 L566	L505-I553 HydrophobicContact CB-CG1 4.38Å; L505-I553 HydrophobicContact CD1-CD1 4.02Å; L505-I553 HydrophobicContact CD1-CG1 4.37Å; W510-I553 HydrophobicContact CB-CG2 4.35Å; W510-I553 VanDerWaalsContact CD1-CG2 3.4Å; W510-I553 HydrophobicContact CD2-CG2 3.93Å; W510-I553 HydrophobicContact CG-CG2 3.63Å; L519-I553 HydrophobicContact CD2-CD1 4.48Å; L519-I553 HydrophobicContact CD2-CG2 4.24Å; L519-I553 HydrophobicContact CG-CD1 4.39Å; I530-I553 HydrophobicContact CG2-CD1 4.16Å; I553-C555 PolarHBondContact O-N 2.94Å; I553-D565 PolarHBondContact N-OD2 2.82Å; I553-D565 CarbonylContact O-C 3.56Å; I553-D565 WeakPolarHBondContact O-CA 3.48Å; I553-L566 HydrophobicContact CB-CB 3.96Å; I553-L566 HydrophobicContact CG2-CB 3.7Å; I553-L566 HydrophobicContact CG2-CD2 3.82Å; I553-L566 HydrophobicContact CG2-CG 4.41Å; I553-L566 WeakPolarHBondContact O-CB 3.37Å; I553-L566 PolarHBondContact O-N 3.06Å
554	T	97.5	Very high	89.5	Confident	56 Å²	56	61.7 Å²	61.7	34%	0.344	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-74.3	124.5	-172.9	-55	0	0	0	0	111.4	N552 Q564	N552-T554 VanDerWaalsContact C-N 3.35Å; N552-T554 PolarHBondContact O-N 3.15Å; T554-Q564 WeakPolarHBondContact CA-O 3.44Å
555	C	97.9	Very high	91.5	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.2	174.7	-61.1	0	0	0	0	111.1	C512 I553 A561 A562 G563 Q564	C512-C555 HydrophobicContact CB-CB 3.76Å; C512-C555 WeakPolarHBondContact CB-SG 3.47Å; C512-C555 WeakPolarHBondContact SG-CA 3.5Å; C512-C555 WeakPolarHBondContact SG-CB 3.45Å; C512-C555 CovalentContact SG-SG 2.01Å; C512-C555 PolarHBondContact SG-SG 2.77Å; I553-C555 PolarHBondContact O-N 2.94Å; C555-A561 HydrophobicContact CB-CB 4.34Å; C555-A561 WeakPolarHBondContact CB-O 3.07Å; C555-A562 CarbonylContact O-C 3.15Å; C555-A562 WeakPolarHBondContact O-CA 3.48Å; C555-G563 PolarHBondContact O-N 2.9Å; C555-Q564 PolarHBondContact N-O 2.86Å; C555-Q564 PolarHBondContact SG-O 3.39Å
556	T	97.3	Very high	93.2	Very high	70 Å²	70	52.3 Å²	52.3	43%	0.429	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-26	169.7	54.9	0	0	0	0	112.3	Q509 W510	Q509-T556 HydrophobicContact CB-CG2 4.27Å; Q509-T556 PolarHBondContact O-OG1 3Å; Q509-T556 VanDerWaalsContact O-OG1 3.14Å; W510-T556 PolarHBondContact O-N 2.81Å; W510-T556 PolarHBondContact O-OG1 3.49Å
557	S	95.5	Very high	94.1	Very high	37 Å²	37	48.4 Å²	48.4	26%	0.259	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	160.3	174	77	0	0	0	0	110.3	K511 C512	K511-S557 CarbonylContact C-O 3.23Å; K511-S557 WeakPolarHBondContact CG-OG 3.37Å; C512-S557 PolarHBondContact N-O 3.49Å
558	P	94.9	Very high	94.9	Very high	32 Å²	32	49.8 Å²	49.8	21%	0.208	29%	0.287	C	S	.	.	S	Bend	cis	-69.8	166.1	-6.3	30	-36.2	0	0	0	112.8	C512 H560 A561 A562	C512-P558 VanDerWaalsContact O-CD 3.26Å; C512-P558 WeakPolarHBondContact O-CD 3.44Å; P558-H560 WeakPolarHBondContact CG-CE1 3.21Å; P558-H560 PolarHBondContact O-N 2.03Å; P558-H560 VanDerWaalsContact O-N 3.07Å; P558-A561 HydrophobicContact CG-CB 4.39Å; P558-A561 PolarHBondContact O-N 2.86Å; P558-A562 PolarHBondContact O-N 3.05Å
559	P	93.2	Very high	95.3	Very high	120 Å²	120	47 Å²	47	78%	0.779	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-32.3	-171.5	-28.9	35.6	0	0	0	115.5	A561 A562	P559-A561 VanDerWaalsContact C-N 3.34Å; P559-A562 PolarHBondContact O-N 3.41Å
560	H	92.3	Very high	95.6	Very high	126 Å²	126	49.7 Å²	49.7	58%	0.583	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-18.8	179.5	61.2	-82.3	0	0	0	114.2	P558 Q564 H573	P558-H560 WeakPolarHBondContact CG-CE1 3.21Å; P558-H560 PolarHBondContact O-N 2.03Å; P558-H560 VanDerWaalsContact O-N 3.07Å; H560-Q564 PolarHBondContact O-NE2 3.23Å; H560-H573 AromaticContact CD2-CE1 3.85Å; H560-H573 AromaticContact CD2-ND1 3.55Å; H560-H573 AromaticContact CE1-CE1 3.72Å; H560-H573 AromaticContact CE1-ND1 3.98Å; H560-H573 AromaticContact NE2-CE1 2.98Å; H560-H573 PolarHBondContact NE2-CE1 3.12Å; H560-H573 AromaticContact NE2-ND1 2.89Å; H560-H573 PolarHBondContact NE2-ND1 3.1Å
561	A	93.8	Very high	95.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-14.3	172.5	0	0	0	0	0	112.1	C512 C555 P558 P559 G563 Q564 V569	C512-A561 HydrophobicContact CB-CB 4.23Å; C555-A561 HydrophobicContact CB-CB 4.34Å; C555-A561 WeakPolarHBondContact CB-O 3.07Å; P558-A561 HydrophobicContact CG-CB 4.39Å; P558-A561 PolarHBondContact O-N 2.86Å; P559-A561 VanDerWaalsContact C-N 3.34Å; A561-G563 PolarHBondContact O-N 3.23Å; A561-Q564 WeakPolarHBondContact O-CB 3.39Å; A561-Q564 PolarHBondContact O-N 3.39Å; A561-Q564 VanDerWaalsContact O-N 3.11Å; A561-V569 HydrophobicContact CB-CG2 4.39Å
562	A	95.6	Very high	95.3	Very high	44 Å²	44	52.1 Å²	52.1	36%	0.364	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	136	-175.7	0	0	0	0	0	112.2	C555 P558 P559 Q564	C555-A562 CarbonylContact O-C 3.15Å; C555-A562 WeakPolarHBondContact O-CA 3.48Å; P558-A562 PolarHBondContact O-N 3.05Å; P559-A562 PolarHBondContact O-N 3.41Å; A562-Q564 VanDerWaalsContact C-N 3.25Å; A562-Q564 PolarHBondContact O-N 3.43Å
563	G	95.2	Very high	95.2	Very high	61 Å²	61	51.2 Å²	51.2	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-13.7	-177	0	0	0	0	0	115.1	C555 A561	C555-G563 PolarHBondContact O-N 2.9Å; A561-G563 PolarHBondContact O-N 3.23Å
564	Q	96.5	Very high	95	Very high	85 Å²	85	51.6 Å²	51.6	40%	0.397	31%	0.31	S	S	.	.	S	Bend	trans	-81.3	151.6	173.7	-57.7	-179.1	34.6	0	0	110.8	T554 C555 H560 A561 A562 V569	T554-Q564 WeakPolarHBondContact CA-O 3.44Å; C555-Q564 PolarHBondContact N-O 2.86Å; C555-Q564 PolarHBondContact SG-O 3.39Å; H560-Q564 PolarHBondContact O-NE2 3.23Å; A561-Q564 WeakPolarHBondContact O-CB 3.39Å; A561-Q564 PolarHBondContact O-N 3.39Å; A561-Q564 VanDerWaalsContact O-N 3.11Å; A562-Q564 VanDerWaalsContact C-N 3.25Å; A562-Q564 PolarHBondContact O-N 3.43Å; Q564-V569 HydrophobicContact CB-CG2 4.2Å
565	D	97.4	Very high	94.7	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.064	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-73.9	134.3	165.7	-170.1	-69.1	0	0	0	109.2	R532 N552 I553 R567 D568 V569	R532-D565 IonicContact NH1-OD2 3.29Å; N552-D565 WeakPolarHBondContact CA-OD2 3.37Å; N552-D565 WeakPolarHBondContact CB-OD2 3.3Å; I553-D565 PolarHBondContact N-OD2 2.82Å; I553-D565 CarbonylContact O-C 3.56Å; I553-D565 WeakPolarHBondContact O-CA 3.48Å; D565-R567 PolarHBondContact O-N 3.33Å; D565-R567 VanDerWaalsContact OD1-CB 3.3Å; D565-R567 WeakPolarHBondContact OD1-CB 3.45Å; D565-R567 IonicContact OD1-CZ 2.7Å; D565-R567 PolarHBondContact OD1-N 2.88Å; D565-R567 IonicContact OD1-NE 3.48Å; D565-R567 PolarHBondContact OD1-NE 2.69Å; D565-R567 IonicContact OD1-NH2 2.63Å; D565-R567 PolarHBondContact OD1-NH2 2.86Å; D565-R567 IonicContact OD2-CZ 3.94Å; D565-R567 IonicContact OD2-NE 3.75Å; D565-R567 IonicContact OD2-NH2 3.46Å; D565-R567 PolarHBondContact OD2-NH2 2.65Å; D565-D568 WeakPolarHBondContact O-CA 3.32Å; D565-D568 PolarHBondContact O-N 3.24Å; D565-V569 PolarHBondContact O-N 2.7Å
566	L	97.3	Very high	94.1	Very high	0 Å²	0	63 Å²	63	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-32.9	-179.1	178.1	64.4	0	0	0	113	C512 L519 R520 I553 D568 V569 F574	C512-L566 HydrophobicContact CB-CD1 4.07Å; C512-L566 VanDerWaalsContact SG-CD1 3.58Å; L519-L566 HydrophobicContact CB-CD2 4.26Å; L519-L566 HydrophobicContact CD2-CD2 4.17Å; L519-L566 HydrophobicContact CG-CD2 4.08Å; R520-L566 HydrophobicContact CB-CD1 4Å; R520-L566 HydrophobicContact CB-CD2 3.89Å; R520-L566 HydrophobicContact CB-CG 3.73Å; R520-L566 WeakPolarHBondContact CD-O 3.42Å; R520-L566 HydrophobicContact CG-CD1 4.37Å; R520-L566 HydrophobicContact CG-CG 4.08Å; R520-L566 PolarHBondContact NE-O 3.36Å; I553-L566 HydrophobicContact CB-CB 3.96Å; I553-L566 HydrophobicContact CG2-CB 3.7Å; I553-L566 HydrophobicContact CG2-CD2 3.82Å; I553-L566 HydrophobicContact CG2-CG 4.41Å; I553-L566 WeakPolarHBondContact O-CB 3.37Å; I553-L566 PolarHBondContact O-N 3.06Å; L566-D568 PolarHBondContact O-N 3.42Å; L566-V569 PolarHBondContact O-N 3.08Å; L566-F574 HydrophobicContact CD1-CZ 3.74Å
567	R	96.6	Very high	93.8	Very high	18 Å²	18	63.9 Å²	63.9	7%	0.068	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-25	178.4	-68.8	168.3	-71.1	-156.6	-4.5	112.9	S523 L524 I530 N551 D565	S523-R567 WeakPolarHBondContact OG-CG 2.98Å; L524-R567 HydrophobicContact CD2-CB 4.08Å; L524-R567 HydrophobicContact CD2-CG 4.26Å; I530-R567 PolarHBondContact O-NH1 3.44Å; I530-R567 VanDerWaalsContact O-NH1 3.14Å; N551-R567 PolarHBondContact O-NH2 3.49Å; D565-R567 PolarHBondContact O-N 3.33Å; D565-R567 VanDerWaalsContact OD1-CB 3.3Å; D565-R567 WeakPolarHBondContact OD1-CB 3.45Å; D565-R567 IonicContact OD1-CZ 2.7Å; D565-R567 PolarHBondContact OD1-N 2.88Å; D565-R567 IonicContact OD1-NE 3.48Å; D565-R567 PolarHBondContact OD1-NE 2.69Å; D565-R567 IonicContact OD1-NH2 2.63Å; D565-R567 PolarHBondContact OD1-NH2 2.86Å; D565-R567 IonicContact OD2-CZ 3.94Å; D565-R567 IonicContact OD2-NE 3.75Å; D565-R567 IonicContact OD2-NH2 3.46Å; D565-R567 PolarHBondContact OD2-NH2 2.65Å
568	D	96.6	Very high	93.7	Very high	94 Å²	94	65.2 Å²	65.2	50%	0.503	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-10.4	-176.9	-57.9	-37.2	0	0	0	112.2	R532 D565 L566 S570	R532-D568 IonicContact CZ-OD1 3.7Å; R532-D568 IonicContact CZ-OD2 3.9Å; R532-D568 IonicContact NH1-OD1 3.33Å; R532-D568 IonicContact NH1-OD2 3.67Å; R532-D568 PolarHBondContact NH1-OD2 2.81Å; R532-D568 IonicContact NH2-OD1 2.75Å; R532-D568 PolarHBondContact NH2-OD1 3Å; R532-D568 IonicContact NH2-OD2 2.97Å; R532-D568 PolarHBondContact NH2-OD2 2.04Å; D565-D568 WeakPolarHBondContact O-CA 3.32Å; D565-D568 PolarHBondContact O-N 3.24Å; L566-D568 PolarHBondContact O-N 3.42Å; D568-S570 PolarHBondContact O-N 3.01Å
569	V	95.4	Very high	93.6	Very high	4 Å²	4	66.9 Å²	66.9	2%	0.024	39%	0.387	C	S	.	.	S	Bend	trans	-64.6	130.3	173.6	-179.3	0	0	0	0	110.3	R520 A561 Q564 D565 L566 H573 F574	R520-V569 PolarHBondContact NE-O 2.91Å; R520-V569 PolarHBondContact NH2-O 3.32Å; A561-V569 HydrophobicContact CB-CG2 4.39Å; Q564-V569 HydrophobicContact CB-CG2 4.2Å; D565-V569 PolarHBondContact O-N 2.7Å; L566-V569 PolarHBondContact O-N 3.08Å; V569-H573 HydrophobicContact CG1-CB 3.78Å; V569-F574 HydrophobicContact CB-CE2 4.05Å; V569-F574 HydrophobicContact CG1-CE2 3.63Å; V569-F574 HydrophobicContact CG1-CZ 4.14Å
570	S	92.6	Very high	93.6	Very high	71 Å²	71	64 Å²	64	50%	0.497	37%	0.365	S	S	.	.			trans	-56.4	140.8	-178.2	177.3	0	0	0	0	112.5	D568 E572 H573	D568-S570 PolarHBondContact O-N 3.01Å; S570-E572 PolarHBondContact O-N 3.41Å; S570-E572 PolarHBondContact OG-N 3.12Å; S570-H573 WeakPolarHBondContact O-CB 3.05Å; S570-H573 PolarHBondContact O-N 2.85Å; S570-H573 VanDerWaalsContact O-N 3.08Å
571	S	91.9	Very high	93.7	Very high	76 Å²	76	60.4 Å²	60.4	53%	0.531	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-62.2	-26.1	175.2	-59.3	0	0	0	0	112.9	R520 H573 F574 R575	R520-S571 PolarHBondContact NH2-OG 3.16Å; R520-S571 VanDerWaalsContact NH2-OG 3.11Å; S571-H573 PolarHBondContact O-N 3Å; S571-F574 PolarHBondContact O-N 3.11Å; S571-F574 VanDerWaalsContact O-N 3.12Å; S571-R575 PolarHBondContact O-N 2.85Å
572	E	91.4	Very high	93.7	Very high	121 Å²	121	64.1 Å²	64.1	57%	0.565	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-62.4	-29.2	174.8	-70.1	-60.7	134.2	0	0	112.3	S570 F574 R575	S570-E572 PolarHBondContact O-N 3.41Å; S570-E572 PolarHBondContact OG-N 3.12Å; E572-F574 PolarHBondContact O-N 3.17Å; E572-R575 VanDerWaalsContact O-CB 3.3Å; E572-R575 WeakPolarHBondContact O-CB 3.39Å; E572-R575 PolarHBondContact O-N 2.87Å; E572-R575 IonicContact OE1-NH1 2.69Å; E572-R575 WeakPolarHBondContact OE2-CD 3.41Å; E572-R575 IonicContact OE2-CZ 3.39Å; E572-R575 IonicContact OE2-NE 3.26Å; E572-R575 IonicContact OE2-NH1 3.69Å; E572-R575 PolarHBondContact OE2-NH1 2.86Å
573	H	92.8	Very high	93.6	Very high	45 Å²	45	65.4 Å²	65.4	21%	0.208	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-60.9	-31.8	176.1	175.8	83	0	0	0	112.3	C512 H560 V569 S570 S571	C512-H573 PolarHBondContact O-NE2 3.16Å; H560-H573 AromaticContact CD2-CE1 3.85Å; H560-H573 AromaticContact CD2-ND1 3.55Å; H560-H573 AromaticContact CE1-CE1 3.72Å; H560-H573 AromaticContact CE1-ND1 3.98Å; H560-H573 AromaticContact NE2-CE1 2.98Å; H560-H573 PolarHBondContact NE2-CE1 3.12Å; H560-H573 AromaticContact NE2-ND1 2.89Å; H560-H573 PolarHBondContact NE2-ND1 3.1Å; V569-H573 HydrophobicContact CG1-CB 3.78Å; S570-H573 WeakPolarHBondContact O-CB 3.05Å; S570-H573 PolarHBondContact O-N 2.85Å; S570-H573 VanDerWaalsContact O-N 3.08Å; S571-H573 PolarHBondContact O-N 3Å
574	F	93.6	Very high	93.5	Very high	9 Å²	9	65.7 Å²	65.7	4%	0.039	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-98.5	7.2	-178.5	-60.1	-83	0	0	0	113.5	D513 L517 L566 V569 S571 E572 S576 C577	D513-F574 WeakPolarHBondContact O-CE1 3.33Å; L517-F574 HydrophobicContact CB-CD1 3.97Å; L517-F574 HydrophobicContact CB-CE1 4.4Å; L517-F574 HydrophobicContact CD1-CB 3.84Å; L517-F574 HydrophobicContact CD1-CD1 3.97Å; L517-F574 HydrophobicContact CD1-CD2 4.38Å; L517-F574 HydrophobicContact CD1-CG 3.81Å; L517-F574 HydrophobicContact CD2-CB 4.32Å; L517-F574 HydrophobicContact CG-CD1 4.44Å; L566-F574 HydrophobicContact CD1-CZ 3.74Å; V569-F574 HydrophobicContact CB-CE2 4.05Å; V569-F574 HydrophobicContact CG1-CE2 3.63Å; V569-F574 HydrophobicContact CG1-CZ 4.14Å; S571-F574 PolarHBondContact O-N 3.11Å; S571-F574 VanDerWaalsContact O-N 3.12Å; E572-F574 PolarHBondContact O-N 3.17Å; F574-S576 PolarHBondContact O-N 2.94Å; F574-C577 VanDerWaalsContact O-CB 3.24Å; F574-C577 WeakPolarHBondContact O-CB 3.42Å; F574-C577 PolarHBondContact O-N 3.18Å; F574-C577 VanDerWaalsContact O-N 3.07Å; F574-C577 PolarHBondContact O-SG 2.91Å; F574-C577 VanDerWaalsContact O-SG 3.41Å
575	R	90.2	Very high	93.2	Very high	182 Å²	182	64.2 Å²	64.2	69%	0.687	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.4	-174.3	-175	173.7	175.1	-179.3	0.1	114.6	S571 E572 C577	S571-R575 PolarHBondContact O-N 2.85Å; E572-R575 VanDerWaalsContact O-CB 3.3Å; E572-R575 WeakPolarHBondContact O-CB 3.39Å; E572-R575 PolarHBondContact O-N 2.87Å; E572-R575 IonicContact OE1-NH1 2.69Å; E572-R575 WeakPolarHBondContact OE2-CD 3.41Å; E572-R575 IonicContact OE2-CZ 3.39Å; E572-R575 IonicContact OE2-NE 3.26Å; E572-R575 IonicContact OE2-NH1 3.69Å; E572-R575 PolarHBondContact OE2-NH1 2.86Å; R575-C577 VanDerWaalsContact C-N 3.31Å
576	S	86.9	Confident	92.9	Very high	115 Å²	115	68.6 Å²	68.6	80%	0.804	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-1.4	176.5	55.3	0	0	0	0	113.4	F574	F574-S576 PolarHBondContact O-N 2.94Å
577	C	89.4	Confident	92.5	Very high	88 Å²	88	74.8 Å²	74.8	60%	0.595	41%	0.411	S	S	*	.			trans	-88.9	0	162.5	-39.1	0	0	0	0	108.3	C514 L517 F574 R575	C514-C577 WeakPolarHBondContact CA-SG 3.04Å; C514-C577 HydrophobicContact CB-CB 3.74Å; C514-C577 WeakPolarHBondContact CB-SG 3.3Å; C514-C577 VanDerWaalsContact SG-CA 3.58Å; C514-C577 WeakPolarHBondContact SG-CB 3.29Å; C514-C577 CovalentContact SG-SG 2.03Å; C514-C577 PolarHBondContact SG-SG 3.13Å; L517-C577 HydrophobicContact CD2-CB 3.77Å; F574-C577 VanDerWaalsContact O-CB 3.24Å; F574-C577 WeakPolarHBondContact O-CB 3.42Å; F574-C577 PolarHBondContact O-N 3.18Å; F574-C577 VanDerWaalsContact O-N 3.07Å; F574-C577 PolarHBondContact O-SG 2.91Å; F574-C577 VanDerWaalsContact O-SG 3.41Å; R575-C577 VanDerWaalsContact C-N 3.31Å

Retrieved 577 of 577 residues in 938.8 ms (Link to these results)

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