A0A077ZB52_TRITR Loading...

Protein phosphatase 1 regulatory subunit 7

AlphaFold DB , UniProt , Accession A0A077ZB52, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 321 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	38.5	Very low	38.9	Very low	243 Å²	243	172.9 Å²	172.9	100%	1.197	88%	0.883	S	S	*	*				0	122.8	0	-83.5	173.3	171.2	0	0	106.8
2	N	42.1	Very low	38.7	Very low	168 Å²	168	166.9 Å²	166.9	90%	0.898	88%	0.879	S	S	*	*			trans	72	90.7	176.8	-64.6	5.6	0	0	0	118.1
3	N	31.5	Very low	38.1	Very low	167 Å²	167	163.5 Å²	163.5	89%	0.893	88%	0.877	S	S	*	*			trans	-70.2	145.4	151.2	-76.7	-11.4	0	0	0	110.3
4	S	44.2	Very low	37.8	Very low	105 Å²	105	156.6 Å²	156.6	73%	0.734	86%	0.863	S	S	*	*			trans	-162.1	103.8	140.4	51.7	0	0	0	0	107.9
5	H	39.8	Very low	37.6	Very low	173 Å²	173	159.3 Å²	159.3	80%	0.801	87%	0.867	S	S	*	*			trans	-92	123.9	164.4	-78.7	-0.7	0	0	0	106.6
6	D	47	Very low	37.2	Very low	156 Å²	156	161.4 Å²	161.4	83%	0.834	87%	0.87	S	S	*	*			trans	-111.3	111.9	162.2	-73.1	-38.9	0	0	0	105.9
7	E	38.4	Very low	37.1	Very low	179 Å²	179	158.7 Å²	158.7	84%	0.836	87%	0.866	S	S	*	*	P	Polyproline II helix	trans	-95.8	117.1	169.7	-71.1	-179.6	166	0	0	107.2
8	E	40.3	Very low	36.7	Very low	191 Å²	191	156.6 Å²	156.6	89%	0.893	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-91.2	118.6	170.1	-80.7	-175.9	159.4	0	0	109.5
9	E	34.4	Very low	36.8	Very low	192 Å²	192	152.9 Å²	152.9	90%	0.897	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-68.3	131.7	172.8	-77.4	179.5	145.4	0	0	111.6
10	V	38.6	Very low	36.6	Very low	144 Å²	144	154.8 Å²	154.8	87%	0.873	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-88.4	117.1	172.9	-179.9	0	0	0	0	109.4	A12	V10-A12 PolarHBondContact O-N 2.8Å
11	H	32.6	Very low	36.6	Very low	184 Å²	184	156.1 Å²	156.1	85%	0.852	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-66.6	117.5	172.9	-83.6	-72.1	0	0	0	112
12	A	36.5	Very low	36.6	Very low	101 Å²	101	150.4 Å²	150.4	84%	0.835	84%	0.839	S	S	*	*			trans	-97.1	104.9	157.5	0	0	0	0	0	108.8	V10 G14	V10-A12 PolarHBondContact O-N 2.8Å; A12-G14 PolarHBondContact O-N 3.44Å
13	S	31.7	Very low	36.4	Very low	122 Å²	122	147.5 Å²	147.5	85%	0.853	83%	0.832	S	S	*	*			trans	-76	96.5	174	52.8	0	0	0	0	110.3
14	G	33.2	Very low	36.5	Very low	67 Å²	67	145.7 Å²	145.7	69%	0.691	83%	0.827	S	S	*	*			trans	-88.6	127.5	161	0	0	0	0	0	109.9	A12 Q16	A12-G14 PolarHBondContact O-N 3.44Å; G14-Q16 PolarHBondContact O-N 3.09Å
15	E	35.4	Very low	36.3	Very low	198 Å²	198	146.6 Å²	146.6	93%	0.925	83%	0.83	S	S	*	*			trans	-54.3	116.7	178.8	-69.3	175.2	144.1	0	0	111.6	S17	E15-S17 PolarHBondContact O-N 3.37Å
16	Q	30.6	Very low	36.1	Very low	193 Å²	193	145.3 Å²	145.3	90%	0.902	83%	0.829	S	S	*	*			trans	-76.3	100	168.5	-77.6	176.2	-22.6	0	0	109.2	G14 S18	G14-Q16 PolarHBondContact O-N 3.09Å; Q16-S18 PolarHBondContact O-N 2.96Å
17	S	36.1	Very low	35.6	Very low	115 Å²	115	145.3 Å²	145.3	80%	0.804	83%	0.829	S	S	*	*			trans	-83.2	103	153.8	72.2	0	0	0	0	108.3	E15 A19	E15-S17 PolarHBondContact O-N 3.37Å; S17-A19 PolarHBondContact O-N 3.17Å; S17-A19 VanDerWaalsContact O-N 3.1Å
18	S	30.5	Very low	35.6	Very low	121 Å²	121	143.9 Å²	143.9	85%	0.846	83%	0.827	S	S	*	*			trans	-61.9	103.5	173	53	0	0	0	0	110.7	Q16	Q16-S18 PolarHBondContact O-N 2.96Å
19	A	37.7	Very low	35.6	Very low	86 Å²	86	139.9 Å²	139.9	71%	0.711	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-103	123.7	159.3	0	0	0	0	0	107.9	S17 H21	S17-A19 PolarHBondContact O-N 3.17Å; S17-A19 VanDerWaalsContact O-N 3.1Å; A19-H21 PolarHBondContact O-N 3.21Å
20	E	33.3	Very low	36.1	Very low	190 Å²	190	133.1 Å²	133.1	89%	0.888	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-55.4	125	-173.9	-66.7	172	149.6	0	0	112.3
21	H	36	Very low	37	Very low	183 Å²	183	133.7 Å²	133.7	85%	0.847	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.2	130.4	171.2	-69.9	-71.9	0	0	0	111.3	A19	A19-H21 PolarHBondContact O-N 3.21Å
22	P	37.9	Very low	38.5	Very low	123 Å²	123	127 Å²	127	80%	0.799	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-82.1	123	150.3	3.4	15.8	0	0	0	108.5
23	S	38.2	Very low	40	Very low	108 Å²	108	128.9 Å²	128.9	76%	0.755	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-47.1	138.2	170.5	48.3	0	0	0	0	113.4
24	T	34.2	Very low	42.1	Very low	129 Å²	129	124.4 Å²	124.4	79%	0.791	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-53.4	136.5	172.6	48.4	0	0	0	0	113.4
25	P	40.3	Very low	44.4	Very low	123 Å²	123	125.2 Å²	125.2	80%	0.799	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-97.4	130.6	145.6	15	3.3	0	0	0	109.7
26	D	35.6	Very low	46.8	Very low	147 Å²	147	120.7 Å²	120.7	79%	0.786	70%	0.704	S	S	*	*	S	Bend	trans	-55.8	143.3	166.8	-71.3	-55.8	0	0	0	111.6
27	D	35.8	Very low	49.5	Very low	156 Å²	156	121.6 Å²	121.6	83%	0.834	70%	0.699	S	S	*	*	S	Bend	trans	54	76	155.5	-150.7	25.4	0	0	0	117.2
28	D	38.5	Very low	52.1	Low	148 Å²	148	117 Å²	117	79%	0.791	67%	0.668	S	S	*	*			trans	-152.2	130.6	157.4	-94.6	-36.7	0	0	0	108.4	A30	D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 3.27Å
29	S	39.8	Very low	55.2	Low	107 Å²	107	114.4 Å²	114.4	75%	0.748	65%	0.65	S	S	*	*			trans	-57.2	99.5	161.1	56.9	0	0	0	0	106.7	N31	S29-N31 PolarHBondContact O-N 2.68Å
30	A	46	Very low	58	Low	51 Å²	51	114.2 Å²	114.2	42%	0.421	63%	0.634	S	S	.	*			trans	-60.6	103.6	-172.4	0	0	0	0	0	108.9	D28 V32 Y46	D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 PolarHBondContact O-N 3.27Å; A30-V32 HydrophobicContact CB-CG2 4.29Å; A30-V32 PolarHBondContact O-N 3.2Å; A30-Y46 HydrophobicContact CB-CD1 4.18Å
31	N	56.1	Low	61	Low	155 Å²	155	105.9 Å²	105.9	83%	0.829	60%	0.596	S	S	*	*			trans	-68	85.6	166.1	-90	-28.6	0	0	0	107.3	S29 T33	S29-N31 PolarHBondContact O-N 2.68Å; N31-T33 PolarHBondContact O-N 3.29Å
32	V	64.7	Low	63.8	Low	43 Å²	43	101 Å²	101	26%	0.261	58%	0.575	S	S	.	*			trans	-67	118.4	177.8	-173.8	0	0	0	0	108.5	A30 I34 L43 Y46	A30-V32 HydrophobicContact CB-CG2 4.29Å; A30-V32 PolarHBondContact O-N 3.2Å; V32-I34 HydrophobicContact CG1-CG1 4.18Å; V32-I34 PolarHBondContact O-N 3.26Å; V32-L43 HydrophobicContact CB-CD2 4.33Å; V32-L43 HydrophobicContact CG1-CD2 3.54Å; V32-L43 HydrophobicContact CG2-CD2 4.44Å; V32-Y46 HydrophobicContact CG1-CE1 4.36Å; V32-Y46 HydrophobicContact CG2-CD1 3.38Å; V32-Y46 HydrophobicContact CG2-CE1 3.6Å; V32-Y46 HydrophobicContact CG2-CG 4.14Å
33	T	68.3	Low	66.6	Low	141 Å²	141	95.4 Å²	95.4	87%	0.865	54%	0.539	S	S	*	.			trans	-79.5	102	175.1	-60.6	0	0	0	0	108.8	N31	N31-T33 PolarHBondContact O-N 3.29Å
34	I	77	Confident	69.3	Low	29 Å²	29	91.8 Å²	91.8	15%	0.149	51%	0.511	C	S	.	.			trans	-88.5	126.5	-177.4	-61.1	171.4	0	0	0	110.5	V32 R36 L41 M57	V32-I34 HydrophobicContact CG1-CG1 4.18Å; V32-I34 PolarHBondContact O-N 3.26Å; I34-R36 PolarHBondContact O-N 3.31Å; I34-L41 HydrophobicContact CD1-CD2 4.38Å; I34-L41 HydrophobicContact CG2-CD1 4.03Å; I34-L41 HydrophobicContact CG2-CD2 3.93Å; I34-M57 HydrophobicContact CG2-CE 3.66Å; I34-M57 HydrophobicContact CG2-SD 3.5Å; I34-M57 WeakPolarHBondContact CG2-SD 3.25Å
35	C	80.9	Confident	72.2	Confident	83 Å²	83	92.2 Å²	92.2	56%	0.561	50%	0.504	S	S	*	.			trans	-75.1	108.4	172.2	-179.1	0	0	0	0	110.5	R37 A38	C35-R37 PolarHBondContact O-N 2.78Å; C35-A38 HydrophobicContact CB-CB 4.28Å; C35-A38 VanDerWaalsContact O-CB 3.25Å; C35-A38 WeakPolarHBondContact O-CB 3.11Å; C35-A38 PolarHBondContact O-N 3.41Å
36	R	85.1	Confident	74.8	Confident	104 Å²	104	91.4 Å²	91.4	39%	0.392	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.9	-177.1	-63.2	-71	-179.9	-151.8	-7.6	115.1	I34 G53 T55 D56	I34-R36 PolarHBondContact O-N 3.31Å; R36-G53 PolarHBondContact NH1-O 3.01Å; R36-T55 PolarHBondContact NH1-O 2.74Å; R36-D56 WeakPolarHBondContact CD-O 3.46Å
37	R	87.4	Confident	77.7	Confident	211 Å²	211	93.6 Å²	93.6	80%	0.796	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	0.2	179.7	-70.5	-176.7	170.4	141.5	-0.5	114	C35	C35-R37 PolarHBondContact O-N 2.78Å
38	A	91.2	Very high	80.6	Confident	19 Å²	19	87.7 Å²	87.7	16%	0.157	45%	0.451	C	S	.	.			trans	-63.7	138.5	-177	0	0	0	0	0	111.3	C35 H40 M57 L60	C35-A38 HydrophobicContact CB-CB 4.28Å; C35-A38 VanDerWaalsContact O-CB 3.25Å; C35-A38 WeakPolarHBondContact O-CB 3.11Å; C35-A38 PolarHBondContact O-N 3.41Å; A38-H40 WeakPolarHBondContact CB-O 3.3Å; A38-M57 HydrophobicContact CB-CE 4.24Å; A38-L60 PolarHBondContact O-N 2.83Å
39	S	95.2	Very high	83.4	Confident	67 Å²	67	87.5 Å²	87.5	47%	0.469	45%	0.446	S	S	.	.	S	Bend	trans	-90.2	-19.5	167.6	59.6	0	0	0	0	113	N59 K61 E62	S39-N59 VanDerWaalsContact CA-O 3.28Å; S39-N59 WeakPolarHBondContact CA-O 3.47Å; S39-K61 PolarHBondContact O-N 2.91Å; S39-E62 PolarHBondContact O-N 3.09Å
40	H	96.5	Very high	86.1	Confident	81 Å²	81	87.9 Å²	87.9	38%	0.375	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.1	177.3	175.1	91.1	0	0	0	108	A38 E62	A38-H40 WeakPolarHBondContact CB-O 3.3Å; H40-E62 WeakPolarHBondContact CA-O 3.31Å; H40-E62 HydrophobicContact CB-CB 4.27Å; H40-E62 IonicContact CE1-OE2 3.62Å; H40-E62 IonicContact CG-OE2 3.78Å; H40-E62 WeakPolarHBondContact ND1-CB 3.3Å; H40-E62 IonicContact ND1-OE2 2.71Å; H40-E62 PolarHBondContact ND1-OE2 3.09Å
41	L	96.1	Very high	88.4	Confident	16 Å²	16	85.5 Å²	85.5	8%	0.084	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	112.3	177.4	-178.2	63.1	0	0	0	109.5	I34 L43 L54 M57 L60 E62 L63 C64	I34-L41 HydrophobicContact CD1-CD2 4.38Å; I34-L41 HydrophobicContact CG2-CD1 4.03Å; I34-L41 HydrophobicContact CG2-CD2 3.93Å; L41-L43 HydrophobicContact CD1-CD2 4.22Å; L41-L43 HydrophobicContact CD1-CG 4.29Å; L41-L43 HydrophobicContact CD2-CD1 3.8Å; L41-L43 HydrophobicContact CD2-CG 4.19Å; L41-L43 HydrophobicContact CG-CD1 4.1Å; L41-L43 HydrophobicContact CG-CD2 4.39Å; L41-L43 HydrophobicContact CG-CG 3.92Å; L41-L54 HydrophobicContact CD2-CD2 3.71Å; L41-M57 HydrophobicContact CB-CE 4.44Å; L41-M57 HydrophobicContact CD2-CE 4.01Å; L41-M57 HydrophobicContact CD2-SD 4.06Å; L41-L60 HydrophobicContact CB-CD1 3.56Å; L41-L60 HydrophobicContact CB-CD2 4.41Å; L41-E62 PolarHBondContact N-O 2.98Å; L41-L63 HydrophobicContact CB-CD1 4.19Å; L41-L63 HydrophobicContact CD2-CD1 3.97Å; L41-L63 HydrophobicContact CG-CD1 4.22Å; L41-C64 PolarHBondContact O-N 3.3Å
42	D	95.7	Very high	90.2	Very high	79 Å²	79	84.4 Å²	84.4	42%	0.422	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.9	174.3	-171.8	-30.5	0	0	0	109.9	N44	D42-N44 VanDerWaalsContact CG-ND2 3.28Å; D42-N44 WeakPolarHBondContact OD1-CB 3.3Å; D42-N44 PolarHBondContact OD1-N 2.73Å; D42-N44 PolarHBondContact OD1-ND2 3.38Å; D42-N44 PolarHBondContact OD1-OD1 2.98Å; D42-N44 PolarHBondContact OD2-ND2 3.14Å
43	L	95.4	Very high	91.4	Very high	7 Å²	7	84 Å²	84	4%	0.037	41%	0.408	C	S	.	.			trans	-124.2	35.3	177.1	-63.5	176.7	0	0	0	110.7	V32 L41 Y46 L48 L63 C64 L65 N68	V32-L43 HydrophobicContact CB-CD2 4.33Å; V32-L43 HydrophobicContact CG1-CD2 3.54Å; V32-L43 HydrophobicContact CG2-CD2 4.44Å; L41-L43 HydrophobicContact CD1-CD2 4.22Å; L41-L43 HydrophobicContact CD1-CG 4.29Å; L41-L43 HydrophobicContact CD2-CD1 3.8Å; L41-L43 HydrophobicContact CD2-CG 4.19Å; L41-L43 HydrophobicContact CG-CD1 4.1Å; L41-L43 HydrophobicContact CG-CD2 4.39Å; L41-L43 HydrophobicContact CG-CG 3.92Å; L43-Y46 VanDerWaalsContact C-CD2 3.43Å; L43-Y46 HydrophobicContact CB-CD2 4.39Å; L43-Y46 WeakPolarHBondContact O-CD2 3.43Å; L43-L48 HydrophobicContact CB-CD1 3.96Å; L43-L48 HydrophobicContact CD1-CD1 4.11Å; L43-L63 HydrophobicContact CD1-CD1 4.47Å; L43-C64 WeakPolarHBondContact CA-O 3.35Å; L43-C64 PolarHBondContact N-O 3.36Å; L43-L65 HydrophobicContact CB-CD2 3.75Å; L43-L65 HydrophobicContact CD1-CD2 3.84Å; L43-L65 HydrophobicContact CG-CD2 4.41Å; L43-N68 PolarHBondContact O-ND2 2.9Å
44	N	96.3	Very high	92.5	Very high	32 Å²	32	77.5 Å²	77.5	17%	0.171	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	138.5	179.9	-61.7	-25.6	0	0	0	111.6	D42 Y46 R66	D42-N44 VanDerWaalsContact CG-ND2 3.28Å; D42-N44 WeakPolarHBondContact OD1-CB 3.3Å; D42-N44 PolarHBondContact OD1-N 2.73Å; D42-N44 PolarHBondContact OD1-ND2 3.38Å; D42-N44 PolarHBondContact OD1-OD1 2.98Å; D42-N44 PolarHBondContact OD2-ND2 3.14Å; N44-Y46 VanDerWaalsContact C-N 3.32Å; N44-Y46 WeakPolarHBondContact O-CD2 3.28Å; N44-Y46 PolarHBondContact O-N 2.65Å; N44-R66 CarbonylContact C-O 3.29Å; N44-R66 VanDerWaalsContact CA-O 3.26Å; N44-R66 WeakPolarHBondContact CA-O 3.35Å; N44-R66 HydrophobicContact CB-CB 4.28Å; N44-R66 WeakPolarHBondContact OD1-CA 3.29Å; N44-R66 WeakPolarHBondContact OD1-CB 3.23Å; N44-R66 VanDerWaalsContact OD1-CG 3.25Å; N44-R66 WeakPolarHBondContact OD1-CG 3.34Å; N44-R66 PolarHBondContact OD1-N 3.34Å
45	H	94.9	Very high	93	Very high	137 Å²	137	79.7 Å²	79.7	63%	0.634	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	25.1	174.9	-53.7	-83.3	0	0	0	116.7	R47 R66 C67	H45-R47 VanDerWaalsContact C-N 3.3Å; H45-R47 PolarHBondContact O-N 3.21Å; H45-R66 PolarHBondContact N-O 3.36Å; H45-C67 WeakPolarHBondContact CA-O 3.44Å; H45-C67 WeakPolarHBondContact CE1-CB 3.5Å; H45-C67 PolarHBondContact CE1-SG 3.22Å; H45-C67 WeakPolarHBondContact ND1-CB 3.2Å
46	Y	95.2	Very high	93.3	Very high	107 Å²	107	81.4 Å²	81.4	42%	0.42	39%	0.387	S	S	.	.	S	Bend	trans	-86.5	3	178.2	-81.9	-94.5	0	0	0	114.3	A30 V32 L43 N44 L48 N68	A30-Y46 HydrophobicContact CB-CD1 4.18Å; V32-Y46 HydrophobicContact CG1-CE1 4.36Å; V32-Y46 HydrophobicContact CG2-CD1 3.38Å; V32-Y46 HydrophobicContact CG2-CE1 3.6Å; V32-Y46 HydrophobicContact CG2-CG 4.14Å; L43-Y46 VanDerWaalsContact C-CD2 3.43Å; L43-Y46 HydrophobicContact CB-CD2 4.39Å; L43-Y46 WeakPolarHBondContact O-CD2 3.43Å; N44-Y46 VanDerWaalsContact C-N 3.32Å; N44-Y46 WeakPolarHBondContact O-CD2 3.28Å; N44-Y46 PolarHBondContact O-N 2.65Å; Y46-L48 PolarHBondContact O-N 2.81Å; Y46-N68 PolarHBondContact N-OD1 2.77Å; Y46-N68 VanDerWaalsContact N-OD1 3.11Å
47	R	95.8	Very high	93.6	Very high	192 Å²	192	76.5 Å²	76.5	73%	0.725	37%	0.368	S	S	*	.			trans	55.6	31.2	-174.7	-55.4	176.8	62.3	-179.7	-2.1	112.5	H45 E49 N68 L69	H45-R47 VanDerWaalsContact C-N 3.3Å; H45-R47 PolarHBondContact O-N 3.21Å; R47-E49 PolarHBondContact O-N 3.49Å; R47-N68 PolarHBondContact N-OD1 3.48Å; R47-L69 HydrophobicContact CB-CD1 4.09Å; R47-L69 HydrophobicContact CB-CG 4.44Å
48	L	96.1	Very high	93.7	Very high	33 Å²	33	70 Å²	70	17%	0.173	35%	0.353	C	S	.	.			trans	-64.2	125.9	179	-60	174.8	0	0	0	109.7	L43 Y46 L65 N68 L69 I70	L43-L48 HydrophobicContact CB-CD1 3.96Å; L43-L48 HydrophobicContact CD1-CD1 4.11Å; Y46-L48 PolarHBondContact O-N 2.81Å; L48-L65 HydrophobicContact CD1-CD2 3.7Å; L48-N68 HydrophobicContact CB-CB 4.22Å; L48-N68 PolarHBondContact N-OD1 3.41Å; L48-L69 CarbonylContact O-C 3.38Å; L48-L69 VanDerWaalsContact O-CA 3.27Å; L48-L69 WeakPolarHBondContact O-CA 3.42Å; L48-L69 PolarHBondContact O-N 2.76Å; L48-I70 HydrophobicContact CB-CG1 4.47Å; L48-I70 WeakPolarHBondContact O-CG1 3.27Å; L48-I70 PolarHBondContact O-N 2.78Å
49	E	96.8	Very high	93.8	Very high	143 Å²	143	73.2 Å²	73.2	67%	0.668	37%	0.368	S	S	*	.	S	Bend	trans	-87.3	-20.6	174	-64.4	-175.8	-174.9	0	0	112.2	R47 L69	R47-E49 PolarHBondContact O-N 3.49Å; E49-L69 HydrophobicContact CG-CB 4.12Å; E49-L69 HydrophobicContact CG-CD1 4.39Å
50	K	96.7	Very high	93.9	Very high	115 Å²	115	70 Å²	70	50%	0.5	35%	0.345	S	S	.	.	S	Bend	trans	-139.4	152.1	-176.8	-64	-176.3	-177.9	175.9	0	111
51	I	95.6	Very high	93.9	Very high	2 Å²	2	71.6 Å²	71.6	1%	0.01	35%	0.351	C	S	.	.			trans	-84.1	114.3	169.2	-55.6	178	0	0	0	107.2	L54 L65 I70 E74 N75 L76 L88	I51-L54 HydrophobicContact CG2-CD1 3.44Å; I51-L54 VanDerWaalsContact CG2-CD1 3.44Å; I51-L54 HydrophobicContact CG2-CG 4.4Å; I51-L65 HydrophobicContact CD1-CD1 4.06Å; I51-L65 HydrophobicContact CG1-CD1 4.01Å; I51-L65 HydrophobicContact CG2-CD1 4.34Å; I51-I70 HydrophobicContact CD1-CG2 4.28Å; I51-I70 HydrophobicContact CG1-CD1 3.88Å; I51-I70 HydrophobicContact CG1-CG1 4.37Å; I51-I70 HydrophobicContact CG1-CG2 4.01Å; I51-E74 WeakPolarHBondContact CB-O 3.41Å; I51-N75 WeakPolarHBondContact O-CB 3.41Å; I51-N75 PolarHBondContact O-ND2 3.01Å; I51-L76 HydrophobicContact CD1-CD2 4.36Å; I51-L76 HydrophobicContact CG2-CD2 3.9Å; I51-L88 HydrophobicContact CD1-CD2 4.08Å
52	E	93.1	Very high	94	Very high	132 Å²	132	74.3 Å²	74.3	62%	0.617	36%	0.363	S	S	*	.			trans	-152.4	170.9	-179.8	62.1	-177.6	-169.1	0	0	111.8	L54	E52-L54 VanDerWaalsContact C-N 3.31Å; E52-L54 PolarHBondContact O-N 3.28Å
53	G	89.2	Confident	94.2	Very high	33 Å²	33	70.6 Å²	70.6	34%	0.34	34%	0.343	S	S	.	.			trans	78.8	8.3	178.2	0	0	0	0	0	115.4	R36 T55	R36-G53 PolarHBondContact NH1-O 3.01Å; G53-T55 VanDerWaalsContact C-N 3.34Å; G53-T55 PolarHBondContact O-N 2.89Å
54	L	91.8	Very high	94.3	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.026	35%	0.349	C	S	.	.			trans	-87.2	5.1	-177.5	-56.2	177	0	0	0	114.7	L41 I51 E52 M57 L60 L63 L76 I79	L41-L54 HydrophobicContact CD2-CD2 3.71Å; I51-L54 HydrophobicContact CG2-CD1 3.44Å; I51-L54 VanDerWaalsContact CG2-CD1 3.44Å; I51-L54 HydrophobicContact CG2-CG 4.4Å; E52-L54 VanDerWaalsContact C-N 3.31Å; E52-L54 PolarHBondContact O-N 3.28Å; L54-M57 HydrophobicContact CD2-SD 4.08Å; L54-L60 HydrophobicContact CD2-CD2 4.34Å; L54-L63 HydrophobicContact CD1-CD2 3.71Å; L54-L63 HydrophobicContact CD2-CD1 4.28Å; L54-L63 HydrophobicContact CD2-CD2 4.45Å; L54-L76 HydrophobicContact CD1-CD2 3.96Å; L54-I79 HydrophobicContact CB-CG2 4.45Å; L54-I79 HydrophobicContact CD1-CD1 3.84Å
55	T	88.6	Confident	94.4	Very high	75 Å²	75	69.9 Å²	69.9	46%	0.46	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	144.1	177.1	49.3	0	0	0	0	111.2	R36 G53 M57 D78	R36-T55 PolarHBondContact NH1-O 2.74Å; G53-T55 VanDerWaalsContact C-N 3.34Å; G53-T55 PolarHBondContact O-N 2.89Å; T55-M57 PolarHBondContact O-N 3.12Å; T55-D78 VanDerWaalsContact CG2-OD2 3.29Å; T55-D78 WeakPolarHBondContact CG2-OD2 3.41Å
56	D	85.7	Confident	94.5	Very high	120 Å²	120	66.9 Å²	66.9	64%	0.642	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	44.6	175.9	-165.9	33.4	0	0	0	114.2	R36 P58	R36-D56 WeakPolarHBondContact CD-O 3.46Å; D56-P58 VanDerWaalsContact O-CD 3.3Å; D56-P58 WeakPolarHBondContact O-CD 3.27Å
57	M	91.8	Very high	94.7	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	31%	0.314	C	S	.	.			trans	-115.1	63.8	172.7	-64.4	-165.3	70.5	0	0	112	I34 A38 L41 L54 T55 N59 L60 I79	I34-M57 HydrophobicContact CG2-CE 3.66Å; I34-M57 HydrophobicContact CG2-SD 3.5Å; I34-M57 WeakPolarHBondContact CG2-SD 3.25Å; A38-M57 HydrophobicContact CB-CE 4.24Å; L41-M57 HydrophobicContact CB-CE 4.44Å; L41-M57 HydrophobicContact CD2-CE 4.01Å; L41-M57 HydrophobicContact CD2-SD 4.06Å; L54-M57 HydrophobicContact CD2-SD 4.08Å; T55-M57 PolarHBondContact O-N 3.12Å; M57-N59 PolarHBondContact O-N 3.03Å; M57-L60 HydrophobicContact CB-CB 4.07Å; M57-L60 HydrophobicContact CE-CB 4.33Å; M57-L60 HydrophobicContact CE-CD1 4.01Å; M57-L60 HydrophobicContact CE-CD2 4.03Å; M57-L60 HydrophobicContact CE-CG 4.36Å; M57-L60 PolarHBondContact O-N 3.01Å; M57-L60 VanDerWaalsContact O-N 3.14Å; M57-L60 HydrophobicContact SD-CD2 4.12Å; M57-I79 HydrophobicContact CB-CG2 4Å
58	P	89.5	Confident	94.8	Very high	74 Å²	74	54.5 Å²	54.5	48%	0.481	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-5.3	-168	31	-39	0	0	0	114.9	D56 T82	D56-P58 VanDerWaalsContact O-CD 3.3Å; D56-P58 WeakPolarHBondContact O-CD 3.27Å; P58-T82 WeakPolarHBondContact O-CG2 3.19Å
59	N	93.6	Very high	94.9	Very high	86 Å²	86	55.9 Å²	55.9	46%	0.46	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-2	-179.8	-63.1	-38.1	0	0	0	112.8	S39 M57 K61	S39-N59 VanDerWaalsContact CA-O 3.28Å; S39-N59 WeakPolarHBondContact CA-O 3.47Å; M57-N59 PolarHBondContact O-N 3.03Å; N59-K61 PolarHBondContact O-N 2.99Å
60	L	96.9	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.			trans	-69.3	117.5	-172.6	-172.2	64.1	0	0	0	110.2	A38 L41 L54 M57 E62 L63 I79 T82 L83	A38-L60 PolarHBondContact O-N 2.83Å; L41-L60 HydrophobicContact CB-CD1 3.56Å; L41-L60 HydrophobicContact CB-CD2 4.41Å; L54-L60 HydrophobicContact CD2-CD2 4.34Å; M57-L60 HydrophobicContact CB-CB 4.07Å; M57-L60 HydrophobicContact CE-CB 4.33Å; M57-L60 HydrophobicContact CE-CD1 4.01Å; M57-L60 HydrophobicContact CE-CD2 4.03Å; M57-L60 HydrophobicContact CE-CG 4.36Å; M57-L60 PolarHBondContact O-N 3.01Å; M57-L60 VanDerWaalsContact O-N 3.14Å; M57-L60 HydrophobicContact SD-CD2 4.12Å; L60-E62 VanDerWaalsContact CD1-O 3.28Å; L60-E62 WeakPolarHBondContact CD1-O 3.21Å; L60-L63 HydrophobicContact CD2-CB 4.41Å; L60-L63 HydrophobicContact CD2-CD1 4.49Å; L60-I79 HydrophobicContact CB-CG2 4.24Å; L60-I79 HydrophobicContact CD2-CD1 3.87Å; L60-I79 HydrophobicContact CD2-CG2 4.1Å; L60-T82 CarbonylContact O-C 3.34Å; L60-T82 VanDerWaalsContact O-C 3.25Å; L60-T82 VanDerWaalsContact O-CB 3.23Å; L60-T82 WeakPolarHBondContact O-CB 3.22Å; L60-T82 PolarHBondContact O-OG1 3.25Å; L60-L83 PolarHBondContact O-N 2.95Å
61	K	97.8	Very high	95	Very high	114 Å²	114	45.2 Å²	45.2	50%	0.496	25%	0.25	S	S	.	.			trans	-110.4	-30.7	179.4	-65.9	-174.6	178.8	-174.7	0	112.4	S39 N59 V84 E85	S39-K61 PolarHBondContact O-N 2.91Å; N59-K61 PolarHBondContact O-N 2.99Å; K61-V84 HydrophobicContact CB-CB 4.46Å; K61-V84 HydrophobicContact CB-CG2 4.23Å; K61-V84 HydrophobicContact CG-CG2 4.39Å; K61-V84 WeakPolarHBondContact O-CA 3.33Å; K61-V84 PolarHBondContact O-N 3.01Å; K61-E85 PolarHBondContact O-N 3.17Å
62	E	98.4	Very high	95.2	Very high	73 Å²	73	49.4 Å²	49.4	34%	0.341	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123	-176.3	-64.9	165.8	-150.1	0	0	108.9	S39 H40 L41 L60 E85	S39-E62 PolarHBondContact O-N 3.09Å; H40-E62 WeakPolarHBondContact CA-O 3.31Å; H40-E62 HydrophobicContact CB-CB 4.27Å; H40-E62 IonicContact CE1-OE2 3.62Å; H40-E62 IonicContact CG-OE2 3.78Å; H40-E62 WeakPolarHBondContact ND1-CB 3.3Å; H40-E62 IonicContact ND1-OE2 2.71Å; H40-E62 PolarHBondContact ND1-OE2 3.09Å; L41-E62 PolarHBondContact N-O 2.98Å; L60-E62 VanDerWaalsContact CD1-O 3.28Å; L60-E62 WeakPolarHBondContact CD1-O 3.21Å; E62-E85 WeakPolarHBondContact CA-O 3.42Å; E62-E85 HydrophobicContact CG-CB 4.06Å; E62-E85 HydrophobicContact CG-CG 4.1Å
63	L	98	Very high	95.4	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	112.8	177.2	177.3	58.6	0	0	0	109.6	L41 L43 L54 L60 L65 L76 I79 L83 E85 L86 D87	L41-L63 HydrophobicContact CB-CD1 4.19Å; L41-L63 HydrophobicContact CD2-CD1 3.97Å; L41-L63 HydrophobicContact CG-CD1 4.22Å; L43-L63 HydrophobicContact CD1-CD1 4.47Å; L54-L63 HydrophobicContact CD1-CD2 3.71Å; L54-L63 HydrophobicContact CD2-CD1 4.28Å; L54-L63 HydrophobicContact CD2-CD2 4.45Å; L60-L63 HydrophobicContact CD2-CB 4.41Å; L60-L63 HydrophobicContact CD2-CD1 4.49Å; L63-L65 HydrophobicContact CD1-CD1 4.2Å; L63-L65 HydrophobicContact CD1-CG 4.06Å; L63-L65 HydrophobicContact CD2-CD1 3.79Å; L63-L65 HydrophobicContact CG-CD1 3.82Å; L63-L65 HydrophobicContact CG-CG 4.06Å; L63-L76 HydrophobicContact CD2-CD2 3.98Å; L63-I79 HydrophobicContact CD2-CD1 3.92Å; L63-L83 HydrophobicContact CB-CD1 3.79Å; L63-E85 PolarHBondContact N-O 2.79Å; L63-L86 HydrophobicContact CB-CD1 4.17Å; L63-L86 HydrophobicContact CD2-CD1 3.95Å; L63-L86 HydrophobicContact CG-CD1 4.11Å; L63-D87 PolarHBondContact O-N 2.83Å
64	C	98.2	Very high	95.8	Very high	22 Å²	22	43.5 Å²	43.5	15%	0.149	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.3	175.7	-61.6	0	0	0	0	110.1	L41 L43	L41-C64 PolarHBondContact O-N 3.3Å; L43-C64 WeakPolarHBondContact CA-O 3.35Å; L43-C64 PolarHBondContact N-O 3.36Å
65	L	98.2	Very high	96	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	25%	0.253	C	S	.	.			trans	-128.4	33.3	-178.3	-74.8	162.8	0	0	0	110.3	L43 L48 I51 L63 N68 I70 D87 L88 N91	L43-L65 HydrophobicContact CB-CD2 3.75Å; L43-L65 HydrophobicContact CD1-CD2 3.84Å; L43-L65 HydrophobicContact CG-CD2 4.41Å; L48-L65 HydrophobicContact CD1-CD2 3.7Å; I51-L65 HydrophobicContact CD1-CD1 4.06Å; I51-L65 HydrophobicContact CG1-CD1 4.01Å; I51-L65 HydrophobicContact CG2-CD1 4.34Å; L63-L65 HydrophobicContact CD1-CD1 4.2Å; L63-L65 HydrophobicContact CD1-CG 4.06Å; L63-L65 HydrophobicContact CD2-CD1 3.79Å; L63-L65 HydrophobicContact CG-CD1 3.82Å; L63-L65 HydrophobicContact CG-CG 4.06Å; L65-N68 PolarHBondContact O-ND2 3.37Å; L65-I70 HydrophobicContact CB-CD1 3.91Å; L65-I70 HydrophobicContact CD1-CD1 4.1Å; L65-I70 HydrophobicContact CD2-CD1 4.04Å; L65-I70 HydrophobicContact CG-CD1 4.26Å; L65-D87 PolarHBondContact N-O 2.86Å; L65-L88 HydrophobicContact CB-CD2 3.85Å; L65-L88 HydrophobicContact CD1-CD2 3.76Å; L65-L88 HydrophobicContact CG-CD2 4.48Å; L65-N91 PolarHBondContact O-ND2 2.77Å
66	R	98.5	Very high	96.4	Very high	73 Å²	73	44 Å²	44	28%	0.275	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	146.2	-174.2	-51.4	177.2	67.2	98.1	-2.2	111.6	N44 H45 N68 D87 Y89 D109	N44-R66 CarbonylContact C-O 3.29Å; N44-R66 VanDerWaalsContact CA-O 3.26Å; N44-R66 WeakPolarHBondContact CA-O 3.35Å; N44-R66 HydrophobicContact CB-CB 4.28Å; N44-R66 WeakPolarHBondContact OD1-CA 3.29Å; N44-R66 WeakPolarHBondContact OD1-CB 3.23Å; N44-R66 VanDerWaalsContact OD1-CG 3.25Å; N44-R66 WeakPolarHBondContact OD1-CG 3.34Å; N44-R66 PolarHBondContact OD1-N 3.34Å; H45-R66 PolarHBondContact N-O 3.36Å; R66-N68 PolarHBondContact O-N 2.66Å; R66-N68 PolarHBondContact O-ND2 3.07Å; R66-D87 WeakPolarHBondContact CD-OD2 3.33Å; R66-D87 VanDerWaalsContact CG-CG 3.5Å; R66-D87 WeakPolarHBondContact CG-OD1 3.44Å; R66-D87 VanDerWaalsContact CG-OD2 3.32Å; R66-D87 WeakPolarHBondContact CG-OD2 3.38Å; R66-D87 IonicContact CZ-OD2 3.75Å; R66-D87 IonicContact NE-OD2 2.75Å; R66-D87 IonicContact NH1-OD1 3.51Å; R66-D87 IonicContact NH1-OD2 2.7Å; R66-D87 PolarHBondContact NH1-OD2 3.32Å; R66-Y89 CarbonylContact C-O 3.25Å; R66-Y89 WeakPolarHBondContact CA-O 3.33Å; R66-Y89 VanDerWaalsContact NH2-CD2 3.29Å; R66-D109 IonicContact NH1-OD2 3.76Å
67	C	98.1	Very high	96.7	Very high	31 Å²	31	43.1 Å²	43.1	21%	0.209	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	47.5	171.3	-59.2	0	0	0	0	113	H45 Y89 D90	H45-C67 WeakPolarHBondContact CA-O 3.44Å; H45-C67 WeakPolarHBondContact CE1-CB 3.5Å; H45-C67 PolarHBondContact CE1-SG 3.22Å; H45-C67 WeakPolarHBondContact ND1-CB 3.2Å; C67-Y89 PolarHBondContact N-O 2.77Å; C67-D90 CarbonylContact C-O 3.44Å; C67-D90 WeakPolarHBondContact CA-O 3.22Å; C67-D90 PolarHBondContact N-O 3.05Å; C67-D90 VanDerWaalsContact N-O 3.16Å; C67-D90 PolarHBondContact SG-OD2 2.82Å
68	N	98.2	Very high	96.8	Very high	8 Å²	8	47.6 Å²	47.6	4%	0.043	25%	0.251	C	S	.	.			trans	-110.9	-172.2	175.2	-80.7	-67.1	0	0	0	110.8	L43 Y46 R47 L48 L65 R66 I70 D90 N91	L43-N68 PolarHBondContact O-ND2 2.9Å; Y46-N68 PolarHBondContact N-OD1 2.77Å; Y46-N68 VanDerWaalsContact N-OD1 3.11Å; R47-N68 PolarHBondContact N-OD1 3.48Å; L48-N68 HydrophobicContact CB-CB 4.22Å; L48-N68 PolarHBondContact N-OD1 3.41Å; L65-N68 PolarHBondContact O-ND2 3.37Å; R66-N68 PolarHBondContact O-N 2.66Å; R66-N68 PolarHBondContact O-ND2 3.07Å; N68-I70 HydrophobicContact CB-CD1 4.04Å; N68-I70 HydrophobicContact CB-CG1 4.07Å; N68-D90 PolarHBondContact N-O 2.76Å; N68-N91 WeakPolarHBondContact CA-OD1 3.42Å; N68-N91 WeakPolarHBondContact CB-OD1 3.26Å; N68-N91 PolarHBondContact N-OD1 3.04Å; N68-N91 PolarHBondContact O-OD1 3.02Å
69	L	98.2	Very high	97.1	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.325	23%	0.228	S	C	.	.			trans	-107.4	22	179.8	-55.8	178.1	0	0	0	111.7	R47 L48 E49 G71	R47-L69 HydrophobicContact CB-CD1 4.09Å; R47-L69 HydrophobicContact CB-CG 4.44Å; L48-L69 CarbonylContact O-C 3.38Å; L48-L69 VanDerWaalsContact O-CA 3.27Å; L48-L69 WeakPolarHBondContact O-CA 3.42Å; L48-L69 PolarHBondContact O-N 2.76Å; E49-L69 HydrophobicContact CG-CB 4.12Å; E49-L69 HydrophobicContact CG-CD1 4.39Å; L69-G71 PolarHBondContact O-N 2.9Å; L69-G71 VanDerWaalsContact O-N 3.16Å
70	I	98.4	Very high	97.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.			trans	-67.9	115.9	-172.3	-61.7	162.4	0	0	0	109.1	L48 I51 L65 N68 K72 L88 N91 Q92 I93	L48-I70 HydrophobicContact CB-CG1 4.47Å; L48-I70 WeakPolarHBondContact O-CG1 3.27Å; L48-I70 PolarHBondContact O-N 2.78Å; I51-I70 HydrophobicContact CD1-CG2 4.28Å; I51-I70 HydrophobicContact CG1-CD1 3.88Å; I51-I70 HydrophobicContact CG1-CG1 4.37Å; I51-I70 HydrophobicContact CG1-CG2 4.01Å; L65-I70 HydrophobicContact CB-CD1 3.91Å; L65-I70 HydrophobicContact CD1-CD1 4.1Å; L65-I70 HydrophobicContact CD2-CD1 4.04Å; L65-I70 HydrophobicContact CG-CD1 4.26Å; N68-I70 HydrophobicContact CB-CD1 4.04Å; N68-I70 HydrophobicContact CB-CG1 4.07Å; I70-K72 WeakPolarHBondContact CG2-O 3.46Å; I70-L88 HydrophobicContact CD1-CD2 4.03Å; I70-N91 HydrophobicContact CB-CB 4.35Å; I70-N91 VanDerWaalsContact CB-OD1 3.28Å; I70-N91 WeakPolarHBondContact CB-OD1 3.47Å; I70-N91 PolarHBondContact N-OD1 2.91Å; I70-N91 VanDerWaalsContact N-OD1 3.1Å; I70-Q92 CarbonylContact O-C 3.35Å; I70-Q92 WeakPolarHBondContact O-CA 3.49Å; I70-Q92 PolarHBondContact O-N 2.94Å; I70-I93 HydrophobicContact CG2-CG1 4.37Å; I70-I93 PolarHBondContact O-N 2.99Å
71	G	98.1	Very high	97.1	Very high	35 Å²	35	45.2 Å²	45.2	36%	0.361	24%	0.243	S	C	.	.			trans	-89.7	-17.3	177.1	0	0	0	0	0	114	L69	L69-G71 PolarHBondContact O-N 2.9Å; L69-G71 VanDerWaalsContact O-N 3.16Å
72	K	98.3	Very high	97	Very high	90 Å²	90	41.3 Å²	41.3	39%	0.391	23%	0.229	S	C	.	.	S	Bend	trans	-146.9	136.7	-170.4	-172.4	177.9	177.1	-160.8	0	111.5	I70 E74 E97	I70-K72 WeakPolarHBondContact CG2-O 3.46Å; K72-E74 IonicContact NZ-OE2 3.68Å; K72-E74 PolarHBondContact O-N 3.06Å; K72-E97 WeakPolarHBondContact CE-OE1 3.45Å; K72-E97 WeakPolarHBondContact CG-OE1 3.47Å
73	I	98.3	Very high	97	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.212	C	C	.	.			trans	-79.5	116.7	170.5	-55.8	175.5	0	0	0	108.1	L76 L88 I93 E97 N98 L99 L110	I73-L76 HydrophobicContact CG2-CD1 3.7Å; I73-L88 HydrophobicContact CD1-CD1 4.21Å; I73-L88 HydrophobicContact CG1-CD1 4.09Å; I73-I93 HydrophobicContact CD1-CD1 4.34Å; I73-I93 HydrophobicContact CD1-CG2 4.19Å; I73-I93 HydrophobicContact CG1-CD1 3.84Å; I73-I93 HydrophobicContact CG1-CG1 4.33Å; I73-I93 HydrophobicContact CG1-CG2 4.08Å; I73-E97 WeakPolarHBondContact CB-O 3.47Å; I73-E97 VanDerWaalsContact CG2-O 3.28Å; I73-E97 WeakPolarHBondContact CG2-O 3.46Å; I73-N98 PolarHBondContact O-ND2 2.75Å; I73-L99 HydrophobicContact CD1-CD1 4.33Å; I73-L99 HydrophobicContact CD1-CD2 4.32Å; I73-L99 HydrophobicContact CD1-CG 4.39Å; I73-L99 HydrophobicContact CG2-CD2 3.67Å; I73-L99 HydrophobicContact CG2-CG 4.34Å; I73-L110 HydrophobicContact CD1-CD2 3.91Å
74	E	97.3	Very high	97.1	Very high	40 Å²	40	39.5 Å²	39.5	19%	0.187	22%	0.223	C	C	.	.			trans	-154.3	169.1	-179.8	57	-175.4	-174.1	0	0	111.5	I51 K72 L76	I51-E74 WeakPolarHBondContact CB-O 3.41Å; K72-E74 IonicContact NZ-OE2 3.68Å; K72-E74 PolarHBondContact O-N 3.06Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.19Å
75	N	95.7	Very high	97.1	Very high	88 Å²	88	41.5 Å²	41.5	47%	0.471	23%	0.23	S	C	.	.			trans	59.1	30.8	171.3	-52.1	-35.6	0	0	0	115.9	I51	I51-N75 WeakPolarHBondContact O-CB 3.41Å; I51-N75 PolarHBondContact O-ND2 3.01Å
76	L	96.5	Very high	97.1	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.229	C	C	.	.			trans	-94.1	-0.7	176.3	-58.9	175.8	0	0	0	113.7	I51 L54 L63 I73 E74 D78 I79 S80 L86 L99 L102	I51-L76 HydrophobicContact CD1-CD2 4.36Å; I51-L76 HydrophobicContact CG2-CD2 3.9Å; L54-L76 HydrophobicContact CD1-CD2 3.96Å; L63-L76 HydrophobicContact CD2-CD2 3.98Å; I73-L76 HydrophobicContact CG2-CD1 3.7Å; E74-L76 VanDerWaalsContact C-N 3.31Å; E74-L76 PolarHBondContact O-N 3.19Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 3.48Å; L76-I79 HydrophobicContact CD2-CD1 4.08Å; L76-I79 VanDerWaalsContact O-CG1 3.27Å; L76-I79 WeakPolarHBondContact O-CG1 3.28Å; L76-I79 PolarHBondContact O-N 2.98Å; L76-S80 PolarHBondContact O-N 2.98Å; L76-L86 HydrophobicContact CD1-CD2 3.77Å; L76-L99 HydrophobicContact CD1-CD2 3.98Å; L76-L102 HydrophobicContact CB-CD2 4.07Å; L76-L102 HydrophobicContact CD1-CD1 3.97Å
77	N	93.7	Very high	97.1	Very high	102 Å²	102	39 Å²	39	55%	0.545	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-60	-39.9	-171.8	-67.6	-20.9	0	0	0	113.3	I79 S80	N77-I79 PolarHBondContact O-N 2.97Å; N77-S80 VanDerWaalsContact O-CB 3.3Å; N77-S80 WeakPolarHBondContact O-CB 3.5Å; N77-S80 PolarHBondContact O-N 3.06Å; N77-S80 PolarHBondContact O-OG 2.94Å
78	D	93.2	Very high	97.2	Very high	96 Å²	96	37.5 Å²	37.5	51%	0.513	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-69.1	-22	-175.5	-67	-37.8	0	0	0	113.5	T55 L76	T55-D78 VanDerWaalsContact CG2-OD2 3.29Å; T55-D78 WeakPolarHBondContact CG2-OD2 3.41Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 3.48Å
79	I	95.3	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-109	4.9	-179.9	60.8	171.4	0	0	0	112.4	L54 M57 L60 L63 L76 N77 S81 T82 L83	L54-I79 HydrophobicContact CB-CG2 4.45Å; L54-I79 HydrophobicContact CD1-CD1 3.84Å; M57-I79 HydrophobicContact CB-CG2 4Å; L60-I79 HydrophobicContact CB-CG2 4.24Å; L60-I79 HydrophobicContact CD2-CD1 3.87Å; L60-I79 HydrophobicContact CD2-CG2 4.1Å; L63-I79 HydrophobicContact CD2-CD1 3.92Å; L76-I79 HydrophobicContact CD2-CD1 4.08Å; L76-I79 VanDerWaalsContact O-CG1 3.27Å; L76-I79 WeakPolarHBondContact O-CG1 3.28Å; L76-I79 PolarHBondContact O-N 2.98Å; N77-I79 PolarHBondContact O-N 2.97Å; I79-S81 PolarHBondContact O-N 3.22Å; I79-S81 VanDerWaalsContact O-N 3.17Å; I79-T82 PolarHBondContact O-N 3.12Å; I79-T82 VanDerWaalsContact O-N 3.09Å; I79-T82 PolarHBondContact O-OG1 2.96Å; I79-L83 HydrophobicContact CD1-CD1 4.19Å; I79-L83 HydrophobicContact CD1-CD2 3.99Å; I79-L83 HydrophobicContact CG1-CD2 4.47Å; I79-L83 WeakPolarHBondContact O-CB 3.5Å; I79-L83 PolarHBondContact O-N 3.01Å
80	S	95.5	Very high	97.2	Very high	23 Å²	23	40.1 Å²	40.1	16%	0.161	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29.3	-173.6	59.7	0	0	0	0	114.6	L76 N77	L76-S80 PolarHBondContact O-N 2.98Å; N77-S80 VanDerWaalsContact O-CB 3.3Å; N77-S80 WeakPolarHBondContact O-CB 3.5Å; N77-S80 PolarHBondContact O-N 3.06Å; N77-S80 PolarHBondContact O-OG 2.94Å
81	S	95.3	Very high	97.2	Very high	87 Å²	87	40.5 Å²	40.5	61%	0.608	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.8	-179.8	65.7	0	0	0	0	114.5	I79 C104	I79-S81 PolarHBondContact O-N 3.22Å; I79-S81 VanDerWaalsContact O-N 3.17Å; S81-C104 PolarHBondContact O-SG 3.02Å
82	T	96.6	Very high	97.3	Very high	31 Å²	31	41.8 Å²	41.8	19%	0.19	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-25.1	-172.6	58	0	0	0	0	113.3	P58 L60 I79 V84	P58-T82 WeakPolarHBondContact O-CG2 3.19Å; L60-T82 CarbonylContact O-C 3.34Å; L60-T82 VanDerWaalsContact O-C 3.25Å; L60-T82 VanDerWaalsContact O-CB 3.23Å; L60-T82 WeakPolarHBondContact O-CB 3.22Å; L60-T82 PolarHBondContact O-OG1 3.25Å; I79-T82 PolarHBondContact O-N 3.12Å; I79-T82 VanDerWaalsContact O-N 3.09Å; I79-T82 PolarHBondContact O-OG1 2.96Å; T82-V84 PolarHBondContact O-N 2.94Å
83	L	98.1	Very high	97.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.203	C	C	.	.			trans	-67.1	124.5	-175.7	-165.1	67.1	0	0	0	111.3	L60 L63 I79 E85 L86 L102 C104 L105	L60-L83 PolarHBondContact O-N 2.95Å; L63-L83 HydrophobicContact CB-CD1 3.79Å; I79-L83 HydrophobicContact CD1-CD1 4.19Å; I79-L83 HydrophobicContact CD1-CD2 3.99Å; I79-L83 HydrophobicContact CG1-CD2 4.47Å; I79-L83 WeakPolarHBondContact O-CB 3.5Å; I79-L83 PolarHBondContact O-N 3.01Å; L83-E85 WeakPolarHBondContact CD1-O 3.39Å; L83-L86 HydrophobicContact CD2-CB 4.11Å; L83-L86 HydrophobicContact CD2-CD1 4.39Å; L83-L86 HydrophobicContact CD2-CD2 4.49Å; L83-L102 HydrophobicContact CD2-CD1 4.23Å; L83-L102 HydrophobicContact CD2-CD2 4.29Å; L83-C104 CarbonylContact O-C 3.59Å; L83-C104 VanDerWaalsContact O-C 3.27Å; L83-C104 WeakPolarHBondContact O-CB 3.45Å; L83-L105 HydrophobicContact CD2-CD1 4.15Å; L83-L105 HydrophobicContact CG-CD1 3.98Å; L83-L105 PolarHBondContact O-N 3.17Å
84	V	98.7	Very high	97.3	Very high	36 Å²	36	41.5 Å²	41.5	22%	0.218	23%	0.227	C	C	.	.			trans	-110.1	-38.5	-179.6	179.5	0	0	0	0	110.5	K61 T82 E106 Q107	K61-V84 HydrophobicContact CB-CB 4.46Å; K61-V84 HydrophobicContact CB-CG2 4.23Å; K61-V84 HydrophobicContact CG-CG2 4.39Å; K61-V84 WeakPolarHBondContact O-CA 3.33Å; K61-V84 PolarHBondContact O-N 3.01Å; T82-V84 PolarHBondContact O-N 2.94Å; V84-E106 HydrophobicContact CG1-CB 3.92Å; V84-E106 HydrophobicContact CG1-CG 3.94Å; V84-E106 PolarHBondContact O-N 3.26Å; V84-Q107 PolarHBondContact O-N 3.19Å; V84-Q107 VanDerWaalsContact O-N 3.07Å
85	E	98.8	Very high	97.3	Very high	64 Å²	64	43.5 Å²	43.5	30%	0.299	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.4	179.1	-48.3	-164	173.1	0	0	110.9	K61 E62 L63 L83 Q107	K61-E85 PolarHBondContact O-N 3.17Å; E62-E85 WeakPolarHBondContact CA-O 3.42Å; E62-E85 HydrophobicContact CG-CB 4.06Å; E62-E85 HydrophobicContact CG-CG 4.1Å; L63-E85 PolarHBondContact N-O 2.79Å; L83-E85 WeakPolarHBondContact CD1-O 3.39Å; E85-Q107 WeakPolarHBondContact CA-O 3.2Å; E85-Q107 HydrophobicContact CB-CB 4.17Å; E85-Q107 HydrophobicContact CG-CB 3.91Å; E85-Q107 PolarHBondContact OE2-NE2 3.22Å
86	L	98.8	Very high	97.5	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	118.9	175.2	177.7	59.3	0	0	0	109.2	L63 L76 L83 L88 L99 L102 L105 Q107 L108 D109	L63-L86 HydrophobicContact CB-CD1 4.17Å; L63-L86 HydrophobicContact CD2-CD1 3.95Å; L63-L86 HydrophobicContact CG-CD1 4.11Å; L76-L86 HydrophobicContact CD1-CD2 3.77Å; L83-L86 HydrophobicContact CD2-CB 4.11Å; L83-L86 HydrophobicContact CD2-CD1 4.39Å; L83-L86 HydrophobicContact CD2-CD2 4.49Å; L86-L88 HydrophobicContact CD1-CD1 4.19Å; L86-L88 HydrophobicContact CD1-CG 4.09Å; L86-L88 HydrophobicContact CD2-CD1 3.83Å; L86-L88 HydrophobicContact CG-CD1 3.93Å; L86-L88 HydrophobicContact CG-CG 4.15Å; L86-L99 HydrophobicContact CD2-CD2 3.89Å; L86-L102 HydrophobicContact CD2-CD1 4.11Å; L86-L105 HydrophobicContact CB-CD1 3.85Å; L86-L105 HydrophobicContact CB-CD2 4.45Å; L86-Q107 PolarHBondContact N-O 2.74Å; L86-L108 HydrophobicContact CB-CD1 4.1Å; L86-L108 HydrophobicContact CD2-CD1 3.98Å; L86-L108 HydrophobicContact CG-CD1 4.11Å; L86-L108 WeakPolarHBondContact O-CA 3.12Å; L86-D109 PolarHBondContact O-N 3.49Å
87	D	98.8	Very high	97.6	Very high	21 Å²	21	41.4 Å²	41.4	11%	0.112	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	110.5	179.2	-174.5	-8.6	0	0	0	110.4	L63 L65 R66 Y89 D109	L63-D87 PolarHBondContact O-N 2.83Å; L65-D87 PolarHBondContact N-O 2.86Å; R66-D87 WeakPolarHBondContact CD-OD2 3.33Å; R66-D87 VanDerWaalsContact CG-CG 3.5Å; R66-D87 WeakPolarHBondContact CG-OD1 3.44Å; R66-D87 VanDerWaalsContact CG-OD2 3.32Å; R66-D87 WeakPolarHBondContact CG-OD2 3.38Å; R66-D87 IonicContact CZ-OD2 3.75Å; R66-D87 IonicContact NE-OD2 2.75Å; R66-D87 IonicContact NH1-OD1 3.51Å; R66-D87 IonicContact NH1-OD2 2.7Å; R66-D87 PolarHBondContact NH1-OD2 3.32Å; D87-Y89 WeakPolarHBondContact OD1-CB 3.41Å; D87-Y89 PolarHBondContact OD1-N 3.34Å; D87-D109 HydrophobicContact CB-CB 4.48Å
88	L	98.8	Very high	97.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.			trans	-117.3	25.6	178.8	-72.1	162.3	0	0	0	111	I51 L65 I70 I73 L86 D90 N91 I93 D109 L110 N113	I51-L88 HydrophobicContact CD1-CD2 4.08Å; L65-L88 HydrophobicContact CB-CD2 3.85Å; L65-L88 HydrophobicContact CD1-CD2 3.76Å; L65-L88 HydrophobicContact CG-CD2 4.48Å; I70-L88 HydrophobicContact CD1-CD2 4.03Å; I73-L88 HydrophobicContact CD1-CD1 4.21Å; I73-L88 HydrophobicContact CG1-CD1 4.09Å; L86-L88 HydrophobicContact CD1-CD1 4.19Å; L86-L88 HydrophobicContact CD1-CG 4.09Å; L86-L88 HydrophobicContact CD2-CD1 3.83Å; L86-L88 HydrophobicContact CG-CD1 3.93Å; L86-L88 HydrophobicContact CG-CG 4.15Å; L88-D90 PolarHBondContact O-N 3.05Å; L88-N91 PolarHBondContact O-ND2 2.88Å; L88-I93 HydrophobicContact CB-CD1 3.89Å; L88-I93 HydrophobicContact CD1-CD1 3.91Å; L88-I93 HydrophobicContact CD2-CD1 4.18Å; L88-I93 HydrophobicContact CG-CD1 4.22Å; L88-D109 WeakPolarHBondContact CA-O 3.44Å; L88-D109 PolarHBondContact N-O 2.99Å; L88-L110 HydrophobicContact CB-CD2 3.95Å; L88-L110 HydrophobicContact CD1-CD2 3.81Å; L88-N113 PolarHBondContact O-ND2 2.84Å
89	Y	98.8	Very high	98	Very high	54 Å²	54	35.1 Å²	35.1	21%	0.212	19%	0.189	C	C	.	.			trans	-51.6	137	176.6	178.6	-78.7	0	0	0	111.9	R66 C67 D87 N91 S111 F112	R66-Y89 CarbonylContact C-O 3.25Å; R66-Y89 WeakPolarHBondContact CA-O 3.33Å; R66-Y89 VanDerWaalsContact NH2-CD2 3.29Å; C67-Y89 PolarHBondContact N-O 2.77Å; D87-Y89 WeakPolarHBondContact OD1-CB 3.41Å; D87-Y89 PolarHBondContact OD1-N 3.34Å; Y89-N91 PolarHBondContact O-ND2 3.15Å; Y89-S111 WeakPolarHBondContact CA-O 3.45Å; Y89-F112 AromaticContact CD2-CD2 3.89Å; Y89-F112 HydrophobicContact CD2-CD2 3.89Å; Y89-F112 HydrophobicContact CD2-CE2 4.47Å; Y89-F112 HydrophobicContact CE1-CD2 4.16Å; Y89-F112 HydrophobicContact CE1-CG 4.42Å; Y89-F112 AromaticContact CE2-CD2 3.14Å; Y89-F112 HydrophobicContact CE2-CD2 3.14Å; Y89-F112 AromaticContact CE2-CE2 3.41Å; Y89-F112 HydrophobicContact CE2-CE2 3.41Å; Y89-F112 VanDerWaalsContact CE2-CE2 3.41Å; Y89-F112 HydrophobicContact CE2-CG 4.14Å; Y89-F112 AromaticContact CZ-CD2 3.27Å; Y89-F112 AromaticContact CZ-CE2 3.54Å; Y89-F112 AromaticContact CZ-CG 3.89Å; Y89-F112 WeakPolarHBondContact OH-CD2 3.2Å; Y89-F112 WeakPolarHBondContact OH-CE2 3.17Å
90	D	98.6	Very high	98.1	Very high	72 Å²	72	38.9 Å²	38.9	39%	0.385	21%	0.209	S	C	.	.	S	Bend	trans	54.5	70.3	176.6	-169.5	26.2	0	0	0	112.8	C67 N68 L88 S111 F112	C67-D90 CarbonylContact C-O 3.44Å; C67-D90 WeakPolarHBondContact CA-O 3.22Å; C67-D90 PolarHBondContact N-O 3.05Å; C67-D90 VanDerWaalsContact N-O 3.16Å; C67-D90 PolarHBondContact SG-OD2 2.82Å; N68-D90 PolarHBondContact N-O 2.76Å; L88-D90 PolarHBondContact O-N 3.05Å; D90-S111 PolarHBondContact N-O 3.09Å; D90-F112 WeakPolarHBondContact CA-O 3.38Å; D90-F112 HydrophobicContact CB-CB 3.99Å
91	N	98.7	Very high	98.2	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	22%	0.224	C	C	.	.	S	Bend	trans	-132.9	-168.6	175.6	-86.1	-76.6	0	0	0	109.5	L65 N68 I70 L88 Y89 I93 F112 N113	L65-N91 PolarHBondContact O-ND2 2.77Å; N68-N91 WeakPolarHBondContact CA-OD1 3.42Å; N68-N91 WeakPolarHBondContact CB-OD1 3.26Å; N68-N91 PolarHBondContact N-OD1 3.04Å; N68-N91 PolarHBondContact O-OD1 3.02Å; I70-N91 HydrophobicContact CB-CB 4.35Å; I70-N91 VanDerWaalsContact CB-OD1 3.28Å; I70-N91 WeakPolarHBondContact CB-OD1 3.47Å; I70-N91 PolarHBondContact N-OD1 2.91Å; I70-N91 VanDerWaalsContact N-OD1 3.1Å; L88-N91 PolarHBondContact O-ND2 2.88Å; Y89-N91 PolarHBondContact O-ND2 3.15Å; N91-I93 HydrophobicContact CB-CD1 4.23Å; N91-I93 HydrophobicContact CB-CG1 4.24Å; N91-F112 PolarHBondContact N-O 2.94Å; N91-N113 WeakPolarHBondContact CA-OD1 3.33Å; N91-N113 WeakPolarHBondContact CB-OD1 3.11Å; N91-N113 PolarHBondContact O-OD1 3.39Å
92	Q	98.6	Very high	98.3	Very high	63 Å²	63	38.6 Å²	38.6	29%	0.294	20%	0.195	S	C	.	.			trans	-110.4	19.7	-177.9	-55.1	-167.8	39.1	0	0	113	I70 T94 N113 R114	I70-Q92 CarbonylContact O-C 3.35Å; I70-Q92 WeakPolarHBondContact O-CA 3.49Å; I70-Q92 PolarHBondContact O-N 2.94Å; Q92-T94 PolarHBondContact O-N 3.41Å; Q92-N113 PolarHBondContact N-OD1 2.98Å; Q92-R114 VanDerWaalsContact OE1-NH1 3.13Å
93	I	98.8	Very high	98.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.211	C	C	.	.			trans	-66.4	128	-174.4	-59.9	163.6	0	0	0	109.4	I70 I73 L88 N91 K95 L110 N113 R114 I115	I70-I93 HydrophobicContact CG2-CG1 4.37Å; I70-I93 PolarHBondContact O-N 2.99Å; I73-I93 HydrophobicContact CD1-CD1 4.34Å; I73-I93 HydrophobicContact CD1-CG2 4.19Å; I73-I93 HydrophobicContact CG1-CD1 3.84Å; I73-I93 HydrophobicContact CG1-CG1 4.33Å; I73-I93 HydrophobicContact CG1-CG2 4.08Å; L88-I93 HydrophobicContact CB-CD1 3.89Å; L88-I93 HydrophobicContact CD1-CD1 3.91Å; L88-I93 HydrophobicContact CD2-CD1 4.18Å; L88-I93 HydrophobicContact CG-CD1 4.22Å; N91-I93 HydrophobicContact CB-CD1 4.23Å; N91-I93 HydrophobicContact CB-CG1 4.24Å; I93-K95 WeakPolarHBondContact CG2-O 3.37Å; I93-L110 HydrophobicContact CD1-CD2 3.92Å; I93-N113 HydrophobicContact CB-CB 4.29Å; I93-N113 VanDerWaalsContact CB-OD1 3.23Å; I93-N113 WeakPolarHBondContact CB-OD1 3.33Å; I93-N113 WeakPolarHBondContact CG1-OD1 3.38Å; I93-N113 PolarHBondContact N-OD1 2.8Å; I93-R114 CarbonylContact O-C 3.27Å; I93-R114 WeakPolarHBondContact O-CA 3.28Å; I93-R114 PolarHBondContact O-N 2.91Å; I93-I115 HydrophobicContact CG2-CD1 4.41Å; I93-I115 HydrophobicContact CG2-CG1 4.27Å; I93-I115 PolarHBondContact O-N 3.21Å
94	T	98.5	Very high	98.2	Very high	84 Å²	84	43.8 Å²	43.8	52%	0.515	23%	0.229	S	C	.	.			trans	-103.8	-19.5	178.3	54.6	0	0	0	0	113	Q92 R114	Q92-T94 PolarHBondContact O-N 3.41Å; T94-R114 HydrophobicContact CG2-CB 4Å
95	K	98.6	Very high	98.2	Very high	82 Å²	82	42 Å²	42	36%	0.357	22%	0.218	S	C	.	.	S	Bend	trans	-141.5	137.6	-174.3	-171.1	179.1	-179.7	-167.5	0	111.2	I93 E119	I93-K95 WeakPolarHBondContact CG2-O 3.37Å; K95-E119 VanDerWaalsContact CE-CD 3.45Å; K95-E119 WeakPolarHBondContact CE-OE1 3.44Å; K95-E119 WeakPolarHBondContact CE-OE2 3.48Å; K95-E119 IonicContact NZ-OE2 3.4Å
96	I	98.7	Very high	98.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.221	C	C	.	.			trans	-80.2	115.6	168.8	-53.2	-178	0	0	0	107.8	L99 L110 I115 E119 N120 L121 L132	I96-L99 HydrophobicContact CG2-CD1 3.63Å; I96-L110 HydrophobicContact CD1-CD1 4.03Å; I96-L110 HydrophobicContact CG1-CD1 4.02Å; I96-L110 HydrophobicContact CG2-CD1 4.44Å; I96-I115 HydrophobicContact CD1-CD1 4.43Å; I96-I115 HydrophobicContact CD1-CG2 4.18Å; I96-I115 HydrophobicContact CG1-CD1 3.93Å; I96-I115 HydrophobicContact CG1-CG1 4.41Å; I96-I115 HydrophobicContact CG1-CG2 3.96Å; I96-E119 HydrophobicContact CB-CG 4.39Å; I96-E119 WeakPolarHBondContact CB-O 3.41Å; I96-E119 WeakPolarHBondContact CG2-O 3.45Å; I96-N120 PolarHBondContact O-ND2 2.91Å; I96-L121 HydrophobicContact CD1-CD1 4.34Å; I96-L121 HydrophobicContact CG2-CD2 3.69Å; I96-L121 HydrophobicContact CG2-CG 4.23Å; I96-L132 HydrophobicContact CD1-CD2 4.2Å
97	E	98.3	Very high	98.2	Very high	45 Å²	45	44.2 Å²	44.2	21%	0.21	23%	0.229	C	C	.	.			trans	-156.1	164.4	-179.5	57.6	179.4	178.8	0	0	111.3	K72 I73 L99	K72-E97 WeakPolarHBondContact CE-OE1 3.45Å; K72-E97 WeakPolarHBondContact CG-OE1 3.47Å; I73-E97 WeakPolarHBondContact CB-O 3.47Å; I73-E97 VanDerWaalsContact CG2-O 3.28Å; I73-E97 WeakPolarHBondContact CG2-O 3.46Å; E97-L99 PolarHBondContact O-N 3.07Å
98	N	98	Very high	98.2	Very high	65 Å²	65	43.2 Å²	43.2	35%	0.348	22%	0.223	S	C	.	.	S	Bend	trans	57.6	28.3	176.1	-50.3	-48	0	0	0	114.7	I73	I73-N98 PolarHBondContact O-ND2 2.75Å
99	L	98.2	Very high	98.2	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.228	C	C	.	.			trans	-100.3	-4.4	172.9	-59.8	179.3	0	0	0	112.1	I73 L76 L86 I96 E97 Q101 L102 L108 L121 L124	I73-L99 HydrophobicContact CD1-CD1 4.33Å; I73-L99 HydrophobicContact CD1-CD2 4.32Å; I73-L99 HydrophobicContact CD1-CG 4.39Å; I73-L99 HydrophobicContact CG2-CD2 3.67Å; I73-L99 HydrophobicContact CG2-CG 4.34Å; L76-L99 HydrophobicContact CD1-CD2 3.98Å; L86-L99 HydrophobicContact CD2-CD2 3.89Å; I96-L99 HydrophobicContact CG2-CD1 3.63Å; E97-L99 PolarHBondContact O-N 3.07Å; L99-Q101 PolarHBondContact O-N 3.02Å; L99-Q101 VanDerWaalsContact O-N 3.09Å; L99-L102 HydrophobicContact CB-CD1 4.27Å; L99-L102 HydrophobicContact CD2-CD1 3.51Å; L99-L102 HydrophobicContact CG-CD1 4.49Å; L99-L102 WeakPolarHBondContact O-CB 3.33Å; L99-L102 WeakPolarHBondContact O-CG 3.4Å; L99-L102 PolarHBondContact O-N 3.25Å; L99-L108 HydrophobicContact CD1-CD2 3.77Å; L99-L121 HydrophobicContact CD1-CD2 3.97Å; L99-L124 HydrophobicContact CB-CD1 4.39Å; L99-L124 HydrophobicContact CD1-CD1 4.46Å; L99-L124 WeakPolarHBondContact O-CD2 3.42Å
100	D	97.1	Very high	98.2	Very high	79 Å²	79	41.5 Å²	41.5	42%	0.422	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.7	-166.3	56.7	-66.7	0	0	0	113.3	S123	D100-S123 VanDerWaalsContact C-OG 3.31Å; D100-S123 WeakPolarHBondContact CA-OG 3.36Å; D100-S123 VanDerWaalsContact O-CB 3.27Å; D100-S123 WeakPolarHBondContact O-CB 3.17Å; D100-S123 PolarHBondContact O-OG 2.81Å
101	Q	96.9	Very high	98.2	Very high	102 Å²	102	38.2 Å²	38.2	48%	0.477	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-12.7	179.2	-58.5	-57.5	-53.7	0	0	114.5	L99 T103	L99-Q101 PolarHBondContact O-N 3.02Å; L99-Q101 VanDerWaalsContact O-N 3.09Å; Q101-T103 PolarHBondContact O-N 2.97Å
102	L	97.7	Very high	98.2	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.212	C	C	.	.			trans	-78.2	53.6	-174.4	-51.4	-177.6	0	0	0	112.2	L76 L83 L86 L99 C104 L105 L124	L76-L102 HydrophobicContact CB-CD2 4.07Å; L76-L102 HydrophobicContact CD1-CD1 3.97Å; L83-L102 HydrophobicContact CD2-CD1 4.23Å; L83-L102 HydrophobicContact CD2-CD2 4.29Å; L86-L102 HydrophobicContact CD2-CD1 4.11Å; L99-L102 HydrophobicContact CB-CD1 4.27Å; L99-L102 HydrophobicContact CD2-CD1 3.51Å; L99-L102 HydrophobicContact CG-CD1 4.49Å; L99-L102 WeakPolarHBondContact O-CB 3.33Å; L99-L102 WeakPolarHBondContact O-CG 3.4Å; L99-L102 PolarHBondContact O-N 3.25Å; L102-C104 PolarHBondContact O-N 3.32Å; L102-C104 VanDerWaalsContact O-N 3.09Å; L102-L105 HydrophobicContact CB-CB 4.11Å; L102-L105 HydrophobicContact CD1-CD2 4.28Å; L102-L105 WeakPolarHBondContact O-CB 3.42Å; L102-L105 PolarHBondContact O-N 2.78Å; L102-L124 HydrophobicContact CB-CD2 4.02Å; L102-L124 WeakPolarHBondContact O-CD2 3.36Å
103	T	95.6	Very high	98.3	Very high	85 Å²	85	38.4 Å²	38.4	52%	0.521	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15.1	-171.6	57.3	0	0	0	0	114.2	Q101	Q101-T103 PolarHBondContact O-N 2.97Å
104	C	97.5	Very high	98.3	Very high	55 Å²	55	43.1 Å²	43.1	37%	0.372	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-3.6	174.4	-64.2	0	0	0	0	114.1	S81 L83 L102 E106	S81-C104 PolarHBondContact O-SG 3.02Å; L83-C104 CarbonylContact O-C 3.59Å; L83-C104 VanDerWaalsContact O-C 3.27Å; L83-C104 WeakPolarHBondContact O-CB 3.45Å; L102-C104 PolarHBondContact O-N 3.32Å; L102-C104 VanDerWaalsContact O-N 3.09Å; C104-E106 PolarHBondContact O-N 2.96Å
105	L	98.6	Very high	98.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.			trans	-68.1	126.1	-174.7	-156.6	75.2	0	0	0	111	L83 L86 L102 L108 L124 G126 L127	L83-L105 HydrophobicContact CD2-CD1 4.15Å; L83-L105 HydrophobicContact CG-CD1 3.98Å; L83-L105 PolarHBondContact O-N 3.17Å; L86-L105 HydrophobicContact CB-CD1 3.85Å; L86-L105 HydrophobicContact CB-CD2 4.45Å; L102-L105 HydrophobicContact CB-CB 4.11Å; L102-L105 HydrophobicContact CD1-CD2 4.28Å; L102-L105 WeakPolarHBondContact O-CB 3.42Å; L102-L105 PolarHBondContact O-N 2.78Å; L105-L108 HydrophobicContact CD2-CB 3.92Å; L105-L108 HydrophobicContact CD2-CD1 4.19Å; L105-L108 HydrophobicContact CD2-CD2 4.41Å; L105-L108 HydrophobicContact CD2-CG 4.4Å; L105-L124 HydrophobicContact CB-CD2 4.46Å; L105-L124 HydrophobicContact CD2-CD1 4.12Å; L105-G126 CarbonylContact O-C 3.56Å; L105-L127 HydrophobicContact CB-CD1 4.41Å; L105-L127 HydrophobicContact CD2-CD1 4.06Å; L105-L127 HydrophobicContact CG-CD1 4.12Å; L105-L127 WeakPolarHBondContact O-CA 3.12Å; L105-L127 PolarHBondContact O-N 2.83Å
106	E	98.8	Very high	98.3	Very high	75 Å²	75	40.9 Å²	40.9	35%	0.35	20%	0.203	S	C	.	.			trans	-110.9	-27	177.2	-62.9	-166.1	163	0	0	112.2	V84 C104 K128 R129	V84-E106 HydrophobicContact CG1-CB 3.92Å; V84-E106 HydrophobicContact CG1-CG 3.94Å; V84-E106 PolarHBondContact O-N 3.26Å; C104-E106 PolarHBondContact O-N 2.96Å; E106-K128 HydrophobicContact CB-CD 4.36Å; E106-K128 HydrophobicContact CB-CG 4.46Å; E106-K128 HydrophobicContact CG-CD 4.49Å; E106-K128 WeakPolarHBondContact O-CA 3.45Å; E106-K128 PolarHBondContact O-N 2.8Å; E106-K128 WeakPolarHBondContact OE1-CE 3.46Å; E106-K128 IonicContact OE1-NZ 3.52Å; E106-K128 PolarHBondContact OE1-NZ 3.15Å; E106-K128 WeakPolarHBondContact OE2-CE 3.17Å; E106-K128 IonicContact OE2-NZ 2.78Å; E106-K128 PolarHBondContact OE2-NZ 3.05Å; E106-R129 PolarHBondContact O-N 2.93Å
107	Q	98.9	Very high	98.3	Very high	37 Å²	37	45 Å²	45	17%	0.173	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130	178.2	-174.3	168.9	-78	0	0	111	V84 E85 L86 R129 Y131	V84-Q107 PolarHBondContact O-N 3.19Å; V84-Q107 VanDerWaalsContact O-N 3.07Å; E85-Q107 WeakPolarHBondContact CA-O 3.2Å; E85-Q107 HydrophobicContact CB-CB 4.17Å; E85-Q107 HydrophobicContact CG-CB 3.91Å; E85-Q107 PolarHBondContact OE2-NE2 3.22Å; L86-Q107 PolarHBondContact N-O 2.74Å; Q107-R129 WeakPolarHBondContact CA-O 3.32Å; Q107-R129 HydrophobicContact CB-CB 4.4Å; Q107-R129 HydrophobicContact CG-CB 4.04Å; Q107-Y131 HydrophobicContact CG-CE2 4.05Å
108	L	98.9	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	119.9	176.3	178.3	59.6	0	0	0	109.7	L86 L99 L105 L110 L121 L124 L127 R129 L130 Y131	L86-L108 HydrophobicContact CB-CD1 4.1Å; L86-L108 HydrophobicContact CD2-CD1 3.98Å; L86-L108 HydrophobicContact CG-CD1 4.11Å; L86-L108 WeakPolarHBondContact O-CA 3.12Å; L99-L108 HydrophobicContact CD1-CD2 3.77Å; L105-L108 HydrophobicContact CD2-CB 3.92Å; L105-L108 HydrophobicContact CD2-CD1 4.19Å; L105-L108 HydrophobicContact CD2-CD2 4.41Å; L105-L108 HydrophobicContact CD2-CG 4.4Å; L108-L110 HydrophobicContact CD1-CD1 4.15Å; L108-L110 HydrophobicContact CD1-CG 3.98Å; L108-L110 HydrophobicContact CD2-CD1 3.77Å; L108-L110 HydrophobicContact CD2-CG 4.44Å; L108-L110 HydrophobicContact CG-CD1 3.95Å; L108-L110 HydrophobicContact CG-CG 4.08Å; L108-L121 HydrophobicContact CD2-CD2 3.79Å; L108-L124 HydrophobicContact CD2-CD1 4.17Å; L108-L127 HydrophobicContact CB-CD1 3.88Å; L108-L127 HydrophobicContact CB-CD2 4.39Å; L108-R129 PolarHBondContact N-O 2.79Å; L108-L130 HydrophobicContact CB-CD1 4.15Å; L108-L130 HydrophobicContact CD2-CD1 4Å; L108-L130 HydrophobicContact CG-CD1 4.14Å; L108-L130 WeakPolarHBondContact O-CA 3.25Å; L108-Y131 PolarHBondContact O-N 3.4Å
109	D	98.9	Very high	98.3	Very high	18 Å²	18	41.9 Å²	41.9	10%	0.096	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.8	170.4	-167.5	-7.1	0	0	0	110.6	R66 L86 D87 L88 S111 Y131	R66-D109 IonicContact NH1-OD2 3.76Å; L86-D109 PolarHBondContact O-N 3.49Å; D87-D109 HydrophobicContact CB-CB 4.48Å; L88-D109 WeakPolarHBondContact CA-O 3.44Å; L88-D109 PolarHBondContact N-O 2.99Å; D109-S111 WeakPolarHBondContact OD1-CB 3.35Å; D109-S111 PolarHBondContact OD1-N 2.79Å; D109-S111 PolarHBondContact OD1-OG 2.95Å; D109-Y131 HydrophobicContact CB-CD2 4.16Å; D109-Y131 HydrophobicContact CB-CG 4.48Å; D109-Y131 WeakPolarHBondContact OD1-CB 3.17Å
110	L	98.9	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.			trans	-124.3	22.1	176.2	-75.1	166.9	0	0	0	110.6	I73 L88 I93 I96 L108 N113 I115 Y131 L132 N135	I73-L110 HydrophobicContact CD1-CD2 3.91Å; L88-L110 HydrophobicContact CB-CD2 3.95Å; L88-L110 HydrophobicContact CD1-CD2 3.81Å; I93-L110 HydrophobicContact CD1-CD2 3.92Å; I96-L110 HydrophobicContact CD1-CD1 4.03Å; I96-L110 HydrophobicContact CG1-CD1 4.02Å; I96-L110 HydrophobicContact CG2-CD1 4.44Å; L108-L110 HydrophobicContact CD1-CD1 4.15Å; L108-L110 HydrophobicContact CD1-CG 3.98Å; L108-L110 HydrophobicContact CD2-CD1 3.77Å; L108-L110 HydrophobicContact CD2-CG 4.44Å; L108-L110 HydrophobicContact CG-CD1 3.95Å; L108-L110 HydrophobicContact CG-CG 4.08Å; L110-N113 PolarHBondContact O-ND2 2.98Å; L110-N113 VanDerWaalsContact O-ND2 3.12Å; L110-I115 HydrophobicContact CB-CD1 3.82Å; L110-I115 HydrophobicContact CD1-CD1 4.19Å; L110-I115 HydrophobicContact CD2-CD1 4.29Å; L110-I115 HydrophobicContact CG-CD1 4.35Å; L110-Y131 PolarHBondContact N-O 3.03Å; L110-L132 HydrophobicContact CB-CD2 3.75Å; L110-L132 HydrophobicContact CD1-CD2 4.21Å; L110-N135 PolarHBondContact O-ND2 3.06Å
111	S	98.9	Very high	98.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.021	20%	0.2	C	C	.	.			trans	-66	157.2	-179.6	-56.7	0	0	0	0	112	Y89 D90 D109 N113 Y131 V133	Y89-S111 WeakPolarHBondContact CA-O 3.45Å; D90-S111 PolarHBondContact N-O 3.09Å; D109-S111 WeakPolarHBondContact OD1-CB 3.35Å; D109-S111 PolarHBondContact OD1-N 2.79Å; D109-S111 PolarHBondContact OD1-OG 2.95Å; S111-N113 VanDerWaalsContact C-N 3.3Å; S111-N113 PolarHBondContact O-N 2.88Å; S111-N113 PolarHBondContact O-ND2 3.3Å; S111-Y131 WeakPolarHBondContact OG-CB 3.46Å; S111-V133 CarbonylContact C-O 3.3Å; S111-V133 WeakPolarHBondContact CA-O 3.34Å; S111-V133 PolarHBondContact OG-N 3.23Å; S111-V133 VanDerWaalsContact OG-N 3.1Å
112	F	98.8	Very high	98.4	Very high	64 Å²	64	40.3 Å²	40.3	28%	0.281	20%	0.199	S	C	.	.	S	Bend	trans	54.9	44.2	179.9	-65.4	-98.7	0	0	0	112.8	Y89 D90 N91 V133 H134	Y89-F112 AromaticContact CD2-CD2 3.89Å; Y89-F112 HydrophobicContact CD2-CD2 3.89Å; Y89-F112 HydrophobicContact CD2-CE2 4.47Å; Y89-F112 HydrophobicContact CE1-CD2 4.16Å; Y89-F112 HydrophobicContact CE1-CG 4.42Å; Y89-F112 AromaticContact CE2-CD2 3.14Å; Y89-F112 HydrophobicContact CE2-CD2 3.14Å; Y89-F112 AromaticContact CE2-CE2 3.41Å; Y89-F112 HydrophobicContact CE2-CE2 3.41Å; Y89-F112 VanDerWaalsContact CE2-CE2 3.41Å; Y89-F112 HydrophobicContact CE2-CG 4.14Å; Y89-F112 AromaticContact CZ-CD2 3.27Å; Y89-F112 AromaticContact CZ-CE2 3.54Å; Y89-F112 AromaticContact CZ-CG 3.89Å; Y89-F112 WeakPolarHBondContact OH-CD2 3.2Å; Y89-F112 WeakPolarHBondContact OH-CE2 3.17Å; D90-F112 WeakPolarHBondContact CA-O 3.38Å; D90-F112 HydrophobicContact CB-CB 3.99Å; N91-F112 PolarHBondContact N-O 2.94Å; F112-V133 HydrophobicContact CE2-CB 4.35Å; F112-V133 HydrophobicContact CE2-CG1 4.04Å; F112-V133 HydrophobicContact CZ-CG1 4.45Å; F112-V133 PolarHBondContact N-O 3.04Å; F112-H134 HydrophobicContact CD1-CB 3.76Å; F112-H134 AromaticContact CD1-CG 3.73Å; F112-H134 AromaticContact CD1-ND1 3.81Å; F112-H134 HydrophobicContact CD2-CB 4.18Å; F112-H134 HydrophobicContact CE1-CB 3.78Å; F112-H134 AromaticContact CE1-CG 3.77Å; F112-H134 HydrophobicContact CE2-CB 4.19Å; F112-H134 HydrophobicContact CG-CB 3.98Å; F112-H134 HydrophobicContact CZ-CB 4Å
113	N	98.8	Very high	98.4	Very high	9 Å²	9	41.8 Å²	41.8	5%	0.048	21%	0.21	C	C	.	.	S	Bend	trans	-115.3	-162.5	174.3	-83.8	-80.4	0	0	0	110.2	L88 N91 Q92 I93 L110 S111 I115 N135	L88-N113 PolarHBondContact O-ND2 2.84Å; N91-N113 WeakPolarHBondContact CA-OD1 3.33Å; N91-N113 WeakPolarHBondContact CB-OD1 3.11Å; N91-N113 PolarHBondContact O-OD1 3.39Å; Q92-N113 PolarHBondContact N-OD1 2.98Å; I93-N113 HydrophobicContact CB-CB 4.29Å; I93-N113 VanDerWaalsContact CB-OD1 3.23Å; I93-N113 WeakPolarHBondContact CB-OD1 3.33Å; I93-N113 WeakPolarHBondContact CG1-OD1 3.38Å; I93-N113 PolarHBondContact N-OD1 2.8Å; L110-N113 PolarHBondContact O-ND2 2.98Å; L110-N113 VanDerWaalsContact O-ND2 3.12Å; S111-N113 VanDerWaalsContact C-N 3.3Å; S111-N113 PolarHBondContact O-N 2.88Å; S111-N113 PolarHBondContact O-ND2 3.3Å; N113-I115 HydrophobicContact CB-CD1 4.13Å; N113-I115 HydrophobicContact CB-CG1 4.19Å; N113-N135 WeakPolarHBondContact CA-OD1 3.2Å; N113-N135 VanDerWaalsContact CB-OD1 3.28Å; N113-N135 WeakPolarHBondContact CB-OD1 3.15Å; N113-N135 PolarHBondContact O-OD1 2.83Å
114	R	98.6	Very high	98.5	Very high	99 Å²	99	37.8 Å²	37.8	37%	0.374	19%	0.185	S	C	.	.			trans	-119.2	26.2	-178.5	-58.1	173.1	-174.9	158.9	4.3	111.5	Q92 I93 T94 N135	Q92-R114 VanDerWaalsContact OE1-NH1 3.13Å; I93-R114 CarbonylContact O-C 3.27Å; I93-R114 WeakPolarHBondContact O-CA 3.28Å; I93-R114 PolarHBondContact O-N 2.91Å; T94-R114 HydrophobicContact CG2-CB 4Å; R114-N135 PolarHBondContact N-OD1 3.46Å
115	I	98.8	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.			trans	-71.1	129	-174.4	-62	162.7	0	0	0	110	I93 I96 L110 N113 K117 L132 N135 R136 I137	I93-I115 HydrophobicContact CG2-CD1 4.41Å; I93-I115 HydrophobicContact CG2-CG1 4.27Å; I93-I115 PolarHBondContact O-N 3.21Å; I96-I115 HydrophobicContact CD1-CD1 4.43Å; I96-I115 HydrophobicContact CD1-CG2 4.18Å; I96-I115 HydrophobicContact CG1-CD1 3.93Å; I96-I115 HydrophobicContact CG1-CG1 4.41Å; I96-I115 HydrophobicContact CG1-CG2 3.96Å; L110-I115 HydrophobicContact CB-CD1 3.82Å; L110-I115 HydrophobicContact CD1-CD1 4.19Å; L110-I115 HydrophobicContact CD2-CD1 4.29Å; L110-I115 HydrophobicContact CG-CD1 4.35Å; N113-I115 HydrophobicContact CB-CD1 4.13Å; N113-I115 HydrophobicContact CB-CG1 4.19Å; I115-K117 WeakPolarHBondContact CG2-O 3.2Å; I115-L132 HydrophobicContact CD1-CD2 4.2Å; I115-N135 HydrophobicContact CB-CB 4.37Å; I115-N135 VanDerWaalsContact CB-OD1 3.3Å; I115-N135 WeakPolarHBondContact CB-OD1 3.2Å; I115-N135 PolarHBondContact N-OD1 3.24Å; I115-R136 CarbonylContact O-C 3.53Å; I115-R136 WeakPolarHBondContact O-CA 2.89Å; I115-R136 WeakPolarHBondContact O-CB 3.21Å; I115-R136 PolarHBondContact O-N 3.03Å; I115-I137 HydrophobicContact CG2-CG1 4.35Å; I115-I137 PolarHBondContact O-N 3.03Å
116	E	98.6	Very high	98.5	Very high	119 Å²	119	40.2 Å²	40.2	56%	0.556	20%	0.203	S	C	*	.			trans	-100.5	-22.2	-179.5	-66	-175.9	177.5	0	0	113.1	R136 I137	E116-R136 HydrophobicContact CG-CB 3.88Å; E116-R136 IonicContact OE1-NH1 2.72Å; E116-I137 WeakPolarHBondContact O-CA 3.26Å
117	K	98.6	Very high	98.5	Very high	88 Å²	88	36.6 Å²	36.6	38%	0.383	19%	0.186	S	C	.	.	S	Bend	trans	-140.6	139.6	-174.6	-172.3	178.5	-178.6	-175.2	0	111.3	I115 E141	I115-K117 WeakPolarHBondContact CG2-O 3.2Å; K117-E141 VanDerWaalsContact CE-OE1 3.26Å; K117-E141 WeakPolarHBondContact CE-OE1 3.2Å; K117-E141 WeakPolarHBondContact CE-OE2 3.48Å; K117-E141 IonicContact NZ-OE2 3.84Å
118	I	98.8	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.194	C	C	.	.			trans	-79.5	117.4	166.3	-55	177.2	0	0	0	107.5	L121 L132 I137 E141 N142 L143 L154	I118-L121 HydrophobicContact CG2-CD1 3.8Å; I118-L132 HydrophobicContact CD1-CD1 4.15Å; I118-L132 HydrophobicContact CG1-CD1 4.09Å; I118-I137 HydrophobicContact CD1-CD1 4.49Å; I118-I137 HydrophobicContact CD1-CG2 4.17Å; I118-I137 HydrophobicContact CG1-CD1 3.95Å; I118-I137 HydrophobicContact CG1-CG1 4.43Å; I118-I137 HydrophobicContact CG1-CG2 3.98Å; I118-E141 WeakPolarHBondContact CB-O 3.38Å; I118-E141 WeakPolarHBondContact CG2-O 3.21Å; I118-N142 PolarHBondContact O-ND2 2.92Å; I118-L143 HydrophobicContact CD1-CD1 4.33Å; I118-L143 HydrophobicContact CG2-CD2 3.71Å; I118-L143 HydrophobicContact CG2-CG 4.25Å; I118-L154 HydrophobicContact CD1-CD2 3.99Å
119	E	98.5	Very high	98.5	Very high	44 Å²	44	43.9 Å²	43.9	21%	0.206	21%	0.214	C	C	.	.			trans	-155	162.7	-178.7	57.5	174.6	128.6	0	0	110.8	K95 I96 L121	K95-E119 VanDerWaalsContact CE-CD 3.45Å; K95-E119 WeakPolarHBondContact CE-OE1 3.44Å; K95-E119 WeakPolarHBondContact CE-OE2 3.48Å; K95-E119 IonicContact NZ-OE2 3.4Å; I96-E119 HydrophobicContact CB-CG 4.39Å; I96-E119 WeakPolarHBondContact CB-O 3.41Å; I96-E119 WeakPolarHBondContact CG2-O 3.45Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 2.96Å
120	N	98.2	Very high	98.5	Very high	64 Å²	64	43 Å²	43	34%	0.342	21%	0.21	S	C	.	.	S	Bend	trans	57.5	33.6	172.3	-48.6	-51.4	0	0	0	114.4	I96 D122	I96-N120 PolarHBondContact O-ND2 2.91Å; N120-D122 WeakPolarHBondContact CA-OD1 3.46Å
121	L	98.3	Very high	98.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.			trans	-106.8	-5.3	173.9	-61.7	179	0	0	0	112.2	I96 L99 L108 I118 E119 S123 L124 L130 L143 L146	I96-L121 HydrophobicContact CD1-CD1 4.34Å; I96-L121 HydrophobicContact CG2-CD2 3.69Å; I96-L121 HydrophobicContact CG2-CG 4.23Å; L99-L121 HydrophobicContact CD1-CD2 3.97Å; L108-L121 HydrophobicContact CD2-CD2 3.79Å; I118-L121 HydrophobicContact CG2-CD1 3.8Å; E119-L121 VanDerWaalsContact C-N 3.26Å; E119-L121 PolarHBondContact O-N 2.96Å; L121-S123 PolarHBondContact O-N 3.49Å; L121-S123 VanDerWaalsContact O-N 3.12Å; L121-L124 HydrophobicContact CD2-CD1 3.69Å; L121-L124 WeakPolarHBondContact O-CB 3.48Å; L121-L124 PolarHBondContact O-N 2.71Å; L121-L130 HydrophobicContact CD1-CD1 4.46Å; L121-L130 HydrophobicContact CD1-CD2 3.85Å; L121-L143 HydrophobicContact CD1-CD2 4.21Å; L121-L146 HydrophobicContact CB-CD1 4.38Å; L121-L146 WeakPolarHBondContact O-CD2 3.5Å
122	D	97.4	Very high	98.5	Very high	84 Å²	84	44.8 Å²	44.8	45%	0.449	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.8	-171.9	32.9	-67.6	0	0	0	114.5	N120 L145	N120-D122 WeakPolarHBondContact CA-OD1 3.46Å; D122-L145 HydrophobicContact CB-CD1 3.75Å
123	S	97.7	Very high	98.5	Very high	33 Å²	33	42.5 Å²	42.5	23%	0.231	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-18.1	175.8	72.6	0	0	0	0	114.3	D100 L121 T125	D100-S123 VanDerWaalsContact C-OG 3.31Å; D100-S123 WeakPolarHBondContact CA-OG 3.36Å; D100-S123 VanDerWaalsContact O-CB 3.27Å; D100-S123 WeakPolarHBondContact O-CB 3.17Å; D100-S123 PolarHBondContact O-OG 2.81Å; L121-S123 PolarHBondContact O-N 3.49Å; L121-S123 VanDerWaalsContact O-N 3.12Å; S123-T125 PolarHBondContact O-N 3.27Å
124	L	98.3	Very high	98.5	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.227	C	C	.	.			trans	-79.5	47.9	-174.3	-52.8	-174.9	0	0	0	111.7	L99 L102 L105 L108 L121 G126 L127 L146	L99-L124 HydrophobicContact CB-CD1 4.39Å; L99-L124 HydrophobicContact CD1-CD1 4.46Å; L99-L124 WeakPolarHBondContact O-CD2 3.42Å; L102-L124 HydrophobicContact CB-CD2 4.02Å; L102-L124 WeakPolarHBondContact O-CD2 3.36Å; L105-L124 HydrophobicContact CB-CD2 4.46Å; L105-L124 HydrophobicContact CD2-CD1 4.12Å; L108-L124 HydrophobicContact CD2-CD1 4.17Å; L121-L124 HydrophobicContact CD2-CD1 3.69Å; L121-L124 WeakPolarHBondContact O-CB 3.48Å; L121-L124 PolarHBondContact O-N 2.71Å; L124-G126 PolarHBondContact O-N 2.81Å; L124-L127 HydrophobicContact CB-CB 4.22Å; L124-L127 WeakPolarHBondContact O-CB 3.43Å; L124-L127 PolarHBondContact O-N 2.8Å; L124-L146 HydrophobicContact CB-CD2 4.22Å; L124-L146 VanDerWaalsContact O-CD2 3.31Å; L124-L146 WeakPolarHBondContact O-CD2 3.25Å
125	T	97.9	Very high	98.5	Very high	82 Å²	82	42.5 Å²	42.5	50%	0.503	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-15.6	-172.7	59.1	0	0	0	0	114.2	S123 Q148	S123-T125 PolarHBondContact O-N 3.27Å; T125-Q148 VanDerWaalsContact O-CG 3.3Å; T125-Q148 WeakPolarHBondContact O-CG 3.33Å
126	G	98.3	Very high	98.5	Very high	24 Å²	24	47.1 Å²	47.1	25%	0.247	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-8	173.1	0	0	0	0	0	115.2	L105 L124 K128	L105-G126 CarbonylContact O-C 3.56Å; L124-G126 PolarHBondContact O-N 2.81Å; G126-K128 PolarHBondContact O-N 2.87Å
127	L	98.8	Very high	98.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.			trans	-62.9	127.5	-172.6	-158.3	75.1	0	0	0	111.7	L105 L108 L124 L130 L146 Q148 L149	L105-L127 HydrophobicContact CB-CD1 4.41Å; L105-L127 HydrophobicContact CD2-CD1 4.06Å; L105-L127 HydrophobicContact CG-CD1 4.12Å; L105-L127 WeakPolarHBondContact O-CA 3.12Å; L105-L127 PolarHBondContact O-N 2.83Å; L108-L127 HydrophobicContact CB-CD1 3.88Å; L108-L127 HydrophobicContact CB-CD2 4.39Å; L124-L127 HydrophobicContact CB-CB 4.22Å; L124-L127 WeakPolarHBondContact O-CB 3.43Å; L124-L127 PolarHBondContact O-N 2.8Å; L127-L130 HydrophobicContact CD2-CB 3.94Å; L127-L130 HydrophobicContact CD2-CD1 4.17Å; L127-L130 HydrophobicContact CD2-CD2 4.43Å; L127-L130 HydrophobicContact CD2-CG 4.41Å; L127-L146 HydrophobicContact CB-CD2 4.48Å; L127-L146 HydrophobicContact CD2-CD1 4.11Å; L127-Q148 CarbonylContact O-C 3.44Å; L127-Q148 VanDerWaalsContact O-C 3.25Å; L127-L149 HydrophobicContact CB-CD1 4.5Å; L127-L149 HydrophobicContact CD2-CD1 4.19Å; L127-L149 HydrophobicContact CG-CD1 4.25Å; L127-L149 WeakPolarHBondContact O-CA 3.48Å; L127-L149 PolarHBondContact O-N 3.1Å
128	K	98.9	Very high	98.5	Very high	78 Å²	78	42.6 Å²	42.6	34%	0.339	21%	0.209	S	C	.	.			trans	-107.7	-29.8	-178.7	-63.6	177.8	-170.6	159.8	0	112.6	E106 G126 T150 L151	E106-K128 HydrophobicContact CB-CD 4.36Å; E106-K128 HydrophobicContact CB-CG 4.46Å; E106-K128 HydrophobicContact CG-CD 4.49Å; E106-K128 WeakPolarHBondContact O-CA 3.45Å; E106-K128 PolarHBondContact O-N 2.8Å; E106-K128 WeakPolarHBondContact OE1-CE 3.46Å; E106-K128 IonicContact OE1-NZ 3.52Å; E106-K128 PolarHBondContact OE1-NZ 3.15Å; E106-K128 WeakPolarHBondContact OE2-CE 3.17Å; E106-K128 IonicContact OE2-NZ 2.78Å; E106-K128 PolarHBondContact OE2-NZ 3.05Å; G126-K128 PolarHBondContact O-N 2.87Å; K128-T150 PolarHBondContact O-N 3.12Å; K128-T150 PolarHBondContact O-OG1 3.22Å; K128-L151 PolarHBondContact O-N 2.85Å; K128-L151 VanDerWaalsContact O-N 3.15Å
129	R	98.9	Very high	98.5	Very high	111 Å²	111	46.6 Å²	46.6	42%	0.419	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	126.1	-176.8	-61.9	177.9	168.6	-176.4	-5.2	110.1	E106 Q107 L108 Y131 L151	E106-R129 PolarHBondContact O-N 2.93Å; Q107-R129 WeakPolarHBondContact CA-O 3.32Å; Q107-R129 HydrophobicContact CB-CB 4.4Å; Q107-R129 HydrophobicContact CG-CB 4.04Å; L108-R129 PolarHBondContact N-O 2.79Å; R129-Y131 HydrophobicContact CB-CE2 3.83Å; R129-L151 HydrophobicContact CB-CB 4.46Å; R129-L151 HydrophobicContact CG-CB 4.09Å
130	L	98.9	Very high	98.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120	179.1	177.7	59.1	0	0	0	109.9	L108 L121 L127 L132 L143 L146 L149 L151 L152 E153	L108-L130 HydrophobicContact CB-CD1 4.15Å; L108-L130 HydrophobicContact CD2-CD1 4Å; L108-L130 HydrophobicContact CG-CD1 4.14Å; L108-L130 WeakPolarHBondContact O-CA 3.25Å; L121-L130 HydrophobicContact CD1-CD1 4.46Å; L121-L130 HydrophobicContact CD1-CD2 3.85Å; L127-L130 HydrophobicContact CD2-CB 3.94Å; L127-L130 HydrophobicContact CD2-CD1 4.17Å; L127-L130 HydrophobicContact CD2-CD2 4.43Å; L127-L130 HydrophobicContact CD2-CG 4.41Å; L130-L132 HydrophobicContact CD1-CD1 4.18Å; L130-L132 HydrophobicContact CD1-CG 4.11Å; L130-L132 HydrophobicContact CD2-CD1 3.91Å; L130-L132 HydrophobicContact CG-CD1 3.97Å; L130-L132 HydrophobicContact CG-CG 4.21Å; L130-L143 HydrophobicContact CD2-CD2 3.84Å; L130-L146 HydrophobicContact CD2-CD1 4.3Å; L130-L149 HydrophobicContact CB-CD1 3.86Å; L130-L149 HydrophobicContact CB-CD2 4.46Å; L130-L151 PolarHBondContact N-O 2.93Å; L130-L151 VanDerWaalsContact N-O 3.09Å; L130-L152 HydrophobicContact CB-CD1 4.17Å; L130-L152 HydrophobicContact CD2-CD1 3.94Å; L130-L152 HydrophobicContact CG-CD1 4.14Å; L130-E153 PolarHBondContact O-N 2.78Å
131	Y	98.9	Very high	98.6	Very high	40 Å²	40	43.4 Å²	43.4	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123.4	178.2	-53.2	-92.6	0	0	0	110	Q107 L108 D109 L110 S111 R129 L151 E153	Q107-Y131 HydrophobicContact CG-CE2 4.05Å; L108-Y131 PolarHBondContact O-N 3.4Å; D109-Y131 HydrophobicContact CB-CD2 4.16Å; D109-Y131 HydrophobicContact CB-CG 4.48Å; D109-Y131 WeakPolarHBondContact OD1-CB 3.17Å; L110-Y131 PolarHBondContact N-O 3.03Å; S111-Y131 WeakPolarHBondContact OG-CB 3.46Å; R129-Y131 HydrophobicContact CB-CE2 3.83Å; Y131-L151 HydrophobicContact CD1-CD2 3.93Å; Y131-L151 HydrophobicContact CE1-CD1 4.16Å; Y131-L151 HydrophobicContact CE1-CD2 3.41Å; Y131-L151 VanDerWaalsContact CE1-CD2 3.41Å; Y131-L151 HydrophobicContact CE1-CG 4.47Å; Y131-L151 HydrophobicContact CE2-CD2 4.44Å; Y131-E153 HydrophobicContact CD1-CB 3.91Å; Y131-E153 HydrophobicContact CD1-CG 4.41Å; Y131-E153 VanDerWaalsContact CD1-OE2 3.25Å; Y131-E153 WeakPolarHBondContact CD1-OE2 3.47Å; Y131-E153 WeakPolarHBondContact CE1-OE2 3.26Å
132	L	98.9	Very high	98.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.			trans	-135.5	29.7	-178.4	-74.3	166	0	0	0	110.3	I96 L110 I115 I118 L130 N135 I137 E153 L154 N157	I96-L132 HydrophobicContact CD1-CD2 4.2Å; L110-L132 HydrophobicContact CB-CD2 3.75Å; L110-L132 HydrophobicContact CD1-CD2 4.21Å; I115-L132 HydrophobicContact CD1-CD2 4.2Å; I118-L132 HydrophobicContact CD1-CD1 4.15Å; I118-L132 HydrophobicContact CG1-CD1 4.09Å; L130-L132 HydrophobicContact CD1-CD1 4.18Å; L130-L132 HydrophobicContact CD1-CG 4.11Å; L130-L132 HydrophobicContact CD2-CD1 3.91Å; L130-L132 HydrophobicContact CG-CD1 3.97Å; L130-L132 HydrophobicContact CG-CG 4.21Å; L132-N135 PolarHBondContact O-ND2 3.4Å; L132-I137 HydrophobicContact CB-CD1 3.92Å; L132-I137 HydrophobicContact CD1-CD1 4.01Å; L132-I137 HydrophobicContact CD2-CD1 4.18Å; L132-I137 HydrophobicContact CG-CD1 4.27Å; L132-E153 PolarHBondContact N-O 3.43Å; L132-L154 HydrophobicContact CB-CD2 3.82Å; L132-L154 HydrophobicContact CD1-CD2 3.83Å; L132-L154 HydrophobicContact CG-CD2 4.49Å; L132-N157 PolarHBondContact O-ND2 3.16Å
133	V	98.9	Very high	98.6	Very high	17 Å²	17	41.8 Å²	41.8	10%	0.103	20%	0.201	C	C	.	.			trans	-59.5	145.8	-177.6	-174.7	0	0	0	0	110.4	S111 F112 N135 E153 G155	S111-V133 CarbonylContact C-O 3.3Å; S111-V133 WeakPolarHBondContact CA-O 3.34Å; S111-V133 PolarHBondContact OG-N 3.23Å; S111-V133 VanDerWaalsContact OG-N 3.1Å; F112-V133 HydrophobicContact CE2-CB 4.35Å; F112-V133 HydrophobicContact CE2-CG1 4.04Å; F112-V133 HydrophobicContact CZ-CG1 4.45Å; F112-V133 PolarHBondContact N-O 3.04Å; V133-N135 PolarHBondContact O-N 3.1Å; V133-N135 PolarHBondContact O-ND2 3.48Å; V133-E153 HydrophobicContact CG2-CB 4.47Å; V133-E153 HydrophobicContact CG2-CG 3.34Å; V133-G155 CarbonylContact C-O 3.42Å; V133-G155 VanDerWaalsContact CA-O 3.29Å; V133-G155 WeakPolarHBondContact CA-O 3.36Å
134	H	98.8	Very high	98.7	Very high	97 Å²	97	44.6 Å²	44.6	45%	0.449	21%	0.211	S	C	.	.	S	Bend	trans	55.3	52.4	169.4	-161.4	-79.1	0	0	0	112.9	F112 G155 N156	F112-H134 HydrophobicContact CD1-CB 3.76Å; F112-H134 AromaticContact CD1-CG 3.73Å; F112-H134 AromaticContact CD1-ND1 3.81Å; F112-H134 HydrophobicContact CD2-CB 4.18Å; F112-H134 HydrophobicContact CE1-CB 3.78Å; F112-H134 AromaticContact CE1-CG 3.77Å; F112-H134 HydrophobicContact CE2-CB 4.19Å; F112-H134 HydrophobicContact CG-CB 3.98Å; F112-H134 HydrophobicContact CZ-CB 4Å; H134-G155 PolarHBondContact N-O 3.01Å; H134-N156 VanDerWaalsContact CA-O 3.26Å; H134-N156 WeakPolarHBondContact CA-O 3.46Å; H134-N156 HydrophobicContact CB-CB 4.16Å
135	N	98.9	Very high	98.7	Very high	11 Å²	11	48.3 Å²	48.3	6%	0.059	23%	0.23	C	C	.	.	S	Bend	trans	-115.5	-162.3	172	-86	-74	0	0	0	109.7	L110 N113 R114 I115 L132 V133 I137 N157	L110-N135 PolarHBondContact O-ND2 3.06Å; N113-N135 WeakPolarHBondContact CA-OD1 3.2Å; N113-N135 VanDerWaalsContact CB-OD1 3.28Å; N113-N135 WeakPolarHBondContact CB-OD1 3.15Å; N113-N135 PolarHBondContact O-OD1 2.83Å; R114-N135 PolarHBondContact N-OD1 3.46Å; I115-N135 HydrophobicContact CB-CB 4.37Å; I115-N135 VanDerWaalsContact CB-OD1 3.3Å; I115-N135 WeakPolarHBondContact CB-OD1 3.2Å; I115-N135 PolarHBondContact N-OD1 3.24Å; L132-N135 PolarHBondContact O-ND2 3.4Å; V133-N135 PolarHBondContact O-N 3.1Å; V133-N135 PolarHBondContact O-ND2 3.48Å; N135-I137 HydrophobicContact CB-CD1 4.13Å; N135-I137 HydrophobicContact CB-CG1 4.16Å; N135-N157 WeakPolarHBondContact CA-OD1 3.23Å; N135-N157 WeakPolarHBondContact CB-OD1 3.34Å; N135-N157 PolarHBondContact N-OD1 3.13Å; N135-N157 PolarHBondContact O-OD1 3.27Å
136	R	98.7	Very high	98.7	Very high	97 Å²	97	44.5 Å²	44.5	37%	0.366	21%	0.206	S	C	.	.			trans	-116.6	21.5	-179.7	-60.2	176.2	-177.1	176.1	2.5	112.2	I115 E116 E138 N157	I115-R136 CarbonylContact O-C 3.53Å; I115-R136 WeakPolarHBondContact O-CA 2.89Å; I115-R136 WeakPolarHBondContact O-CB 3.21Å; I115-R136 PolarHBondContact O-N 3.03Å; E116-R136 HydrophobicContact CG-CB 3.88Å; E116-R136 IonicContact OE1-NH1 2.72Å; R136-E138 PolarHBondContact O-N 2.96Å; R136-N157 PolarHBondContact N-OD1 3.09Å
137	I	98.9	Very high	98.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	22%	0.22	C	C	.	.			trans	-67	125.6	-172.7	-61.9	163.7	0	0	0	110.1	I115 E116 I118 L132 N135 K139 L154 N157 R158 I159	I115-I137 HydrophobicContact CG2-CG1 4.35Å; I115-I137 PolarHBondContact O-N 3.03Å; E116-I137 WeakPolarHBondContact O-CA 3.26Å; I118-I137 HydrophobicContact CD1-CD1 4.49Å; I118-I137 HydrophobicContact CD1-CG2 4.17Å; I118-I137 HydrophobicContact CG1-CD1 3.95Å; I118-I137 HydrophobicContact CG1-CG1 4.43Å; I118-I137 HydrophobicContact CG1-CG2 3.98Å; L132-I137 HydrophobicContact CB-CD1 3.92Å; L132-I137 HydrophobicContact CD1-CD1 4.01Å; L132-I137 HydrophobicContact CD2-CD1 4.18Å; L132-I137 HydrophobicContact CG-CD1 4.27Å; N135-I137 HydrophobicContact CB-CD1 4.13Å; N135-I137 HydrophobicContact CB-CG1 4.16Å; I137-K139 WeakPolarHBondContact CG2-O 3.35Å; I137-L154 HydrophobicContact CD1-CD2 4.12Å; I137-N157 HydrophobicContact CB-CB 4.36Å; I137-N157 VanDerWaalsContact CB-OD1 3.32Å; I137-N157 WeakPolarHBondContact CB-OD1 3.28Å; I137-N157 PolarHBondContact N-OD1 3.12Å; I137-R158 CarbonylContact O-C 3.21Å; I137-R158 WeakPolarHBondContact O-CA 3.04Å; I137-R158 WeakPolarHBondContact O-CB 3.26Å; I137-R158 PolarHBondContact O-N 2.83Å; I137-I159 HydrophobicContact CG2-CG1 4.32Å; I137-I159 PolarHBondContact O-N 2.98Å
138	E	98.6	Very high	98.7	Very high	112 Å²	112	52.8 Å²	52.8	52%	0.523	24%	0.237	S	C	.	.			trans	-97.3	-22	-179.7	-58.7	-160.5	162.1	0	0	113.7	R136 R158 I159	R136-E138 PolarHBondContact O-N 2.96Å; E138-R158 HydrophobicContact CG-CB 4.03Å; E138-I159 WeakPolarHBondContact O-CA 3.3Å
139	K	98.6	Very high	98.7	Very high	83 Å²	83	49 Å²	49	36%	0.361	22%	0.221	S	C	.	.			trans	-141.4	140.9	-172.8	-170.2	-179.8	-176.5	-171.5	0	111.4	I137 E141 E163	I137-K139 WeakPolarHBondContact CG2-O 3.35Å; K139-E141 HydrophobicContact CD-CB 4.49Å; K139-E163 VanDerWaalsContact CE-OE1 3.26Å; K139-E163 WeakPolarHBondContact CE-OE1 3.3Å; K139-E163 WeakPolarHBondContact CE-OE2 3.47Å; K139-E163 IonicContact NZ-OE2 3.09Å; K139-E163 PolarHBondContact NZ-OE2 2.74Å
140	I	98.7	Very high	98.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.212	C	C	.	.			trans	-82.2	117.4	166.6	-54.7	178.4	0	0	0	107.7	L143 L154 I159 L162 E163 N164 L165	I140-L143 HydrophobicContact CG2-CD1 3.8Å; I140-L154 HydrophobicContact CD1-CD1 4.06Å; I140-L154 HydrophobicContact CG1-CD1 4.01Å; I140-I159 HydrophobicContact CD1-CD1 4.44Å; I140-I159 HydrophobicContact CD1-CG2 4.23Å; I140-I159 HydrophobicContact CG1-CD1 3.95Å; I140-I159 HydrophobicContact CG1-CG1 4.49Å; I140-I159 HydrophobicContact CG1-CG2 4.02Å; I140-L162 HydrophobicContact CD1-CD2 4.36Å; I140-E163 WeakPolarHBondContact CB-O 3.44Å; I140-E163 VanDerWaalsContact CG2-O 3.3Å; I140-E163 WeakPolarHBondContact CG2-O 3.46Å; I140-N164 PolarHBondContact O-ND2 2.92Å; I140-L165 HydrophobicContact CD1-CD1 4.15Å; I140-L165 HydrophobicContact CD1-CD2 4.42Å; I140-L165 HydrophobicContact CD1-CG 4.41Å; I140-L165 HydrophobicContact CG2-CD2 3.85Å; I140-L165 HydrophobicContact CG2-CG 4.26Å
141	E	98.6	Very high	98.7	Very high	42 Å²	42	46 Å²	46	20%	0.196	21%	0.214	C	C	.	.			trans	-157.6	164.1	-178.3	55.7	175	132.4	0	0	110.7	K117 I118 K139 L143	K117-E141 VanDerWaalsContact CE-OE1 3.26Å; K117-E141 WeakPolarHBondContact CE-OE1 3.2Å; K117-E141 WeakPolarHBondContact CE-OE2 3.48Å; K117-E141 IonicContact NZ-OE2 3.84Å; I118-E141 WeakPolarHBondContact CB-O 3.38Å; I118-E141 WeakPolarHBondContact CG2-O 3.21Å; K139-E141 HydrophobicContact CD-CB 4.49Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.44Å
142	N	98.4	Very high	98.7	Very high	50 Å²	50	44.1 Å²	44.1	27%	0.267	21%	0.207	S	C	.	.	S	Bend	trans	59.3	35.2	173.9	-48.7	-51.9	0	0	0	114	I118 E144	I118-N142 PolarHBondContact O-ND2 2.92Å; N142-E144 VanDerWaalsContact CA-OE2 3.22Å; N142-E144 WeakPolarHBondContact CA-OE2 3.4Å; N142-E144 PolarHBondContact N-OE2 2.81Å
143	L	98.6	Very high	98.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.			trans	-112.6	-3	176.9	-61.7	179.7	0	0	0	112.5	I118 L121 L130 I140 E141 L145 L146 L152 L168	I118-L143 HydrophobicContact CD1-CD1 4.33Å; I118-L143 HydrophobicContact CG2-CD2 3.71Å; I118-L143 HydrophobicContact CG2-CG 4.25Å; L121-L143 HydrophobicContact CD1-CD2 4.21Å; L130-L143 HydrophobicContact CD2-CD2 3.84Å; I140-L143 HydrophobicContact CG2-CD1 3.8Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.44Å; L143-L145 PolarHBondContact O-N 2.77Å; L143-L146 HydrophobicContact CD2-CD1 3.67Å; L143-L146 WeakPolarHBondContact O-CB 3.3Å; L143-L146 PolarHBondContact O-N 3Å; L143-L152 HydrophobicContact CD1-CD1 4.36Å; L143-L152 HydrophobicContact CD1-CD2 3.8Å; L143-L168 HydrophobicContact CB-CD1 4.49Å; L143-L168 HydrophobicContact CD1-CD1 4.5Å; L143-L168 WeakPolarHBondContact O-CD2 3.38Å
144	E	98.3	Very high	98.7	Very high	91 Å²	91	45.7 Å²	45.7	43%	0.425	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.9	-166.9	64.4	-81.3	-174.9	0	0	115.5	N142 S167	N142-E144 VanDerWaalsContact CA-OE2 3.22Å; N142-E144 WeakPolarHBondContact CA-OE2 3.4Å; N142-E144 PolarHBondContact N-OE2 2.81Å; E144-S167 WeakPolarHBondContact CA-OG 3.2Å
145	L	98.4	Very high	98.7	Very high	80 Å²	80	41.4 Å²	41.4	42%	0.419	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-12.3	176.9	-60.5	-177.4	0	0	0	113.3	D122 L143 K147	D122-L145 HydrophobicContact CB-CD1 3.75Å; L143-L145 PolarHBondContact O-N 2.77Å; L145-K147 PolarHBondContact O-N 3.19Å
146	L	98.5	Very high	98.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	21%	0.214	C	C	.	.			trans	-80.9	52.9	-178	-52.9	-170.6	0	0	0	112.2	L121 L124 L127 L130 L143 Q148 L149 L168	L121-L146 HydrophobicContact CB-CD1 4.38Å; L121-L146 WeakPolarHBondContact O-CD2 3.5Å; L124-L146 HydrophobicContact CB-CD2 4.22Å; L124-L146 VanDerWaalsContact O-CD2 3.31Å; L124-L146 WeakPolarHBondContact O-CD2 3.25Å; L127-L146 HydrophobicContact CB-CD2 4.48Å; L127-L146 HydrophobicContact CD2-CD1 4.11Å; L130-L146 HydrophobicContact CD2-CD1 4.3Å; L143-L146 HydrophobicContact CD2-CD1 3.67Å; L143-L146 WeakPolarHBondContact O-CB 3.3Å; L143-L146 PolarHBondContact O-N 3Å; L146-Q148 PolarHBondContact O-N 2.93Å; L146-L149 HydrophobicContact CB-CB 4.4Å; L146-L149 VanDerWaalsContact O-CB 3.26Å; L146-L149 WeakPolarHBondContact O-CB 3.18Å; L146-L149 PolarHBondContact O-N 2.83Å; L146-L168 HydrophobicContact CB-CD2 4.33Å; L146-L168 WeakPolarHBondContact O-CD2 3.09Å
147	K	98.4	Very high	98.7	Very high	122 Å²	122	40.9 Å²	40.9	53%	0.53	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.8	-171.1	-60.2	-177.7	-177.3	178	0	114.5	L145 K170	L145-K147 PolarHBondContact O-N 3.19Å; K147-K170 WeakPolarHBondContact O-CD 3.27Å
148	Q	98.7	Very high	98.7	Very high	76 Å²	76	45.4 Å²	45.4	36%	0.355	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-3.5	175.5	-57.1	-55.6	-36.4	0	0	113.1	T125 L127 L146 T150	T125-Q148 VanDerWaalsContact O-CG 3.3Å; T125-Q148 WeakPolarHBondContact O-CG 3.33Å; L127-Q148 CarbonylContact O-C 3.44Å; L127-Q148 VanDerWaalsContact O-C 3.25Å; L146-Q148 PolarHBondContact O-N 2.93Å; Q148-T150 PolarHBondContact O-N 3.27Å
149	L	98.8	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.			trans	-62.8	127.3	-175.9	-152.7	73.3	0	0	0	110.9	L127 L130 L146 L152 L168 K170 L171	L127-L149 HydrophobicContact CB-CD1 4.5Å; L127-L149 HydrophobicContact CD2-CD1 4.19Å; L127-L149 HydrophobicContact CG-CD1 4.25Å; L127-L149 WeakPolarHBondContact O-CA 3.48Å; L127-L149 PolarHBondContact O-N 3.1Å; L130-L149 HydrophobicContact CB-CD1 3.86Å; L130-L149 HydrophobicContact CB-CD2 4.46Å; L146-L149 HydrophobicContact CB-CB 4.4Å; L146-L149 VanDerWaalsContact O-CB 3.26Å; L146-L149 WeakPolarHBondContact O-CB 3.18Å; L146-L149 PolarHBondContact O-N 2.83Å; L149-L152 HydrophobicContact CD2-CB 3.8Å; L149-L152 HydrophobicContact CD2-CD1 4.11Å; L149-L152 HydrophobicContact CD2-CD2 4.41Å; L149-L152 HydrophobicContact CD2-CG 4.32Å; L149-L168 HydrophobicContact CB-CD2 4.39Å; L149-L168 HydrophobicContact CD2-CD1 4.13Å; L149-K170 CarbonylContact O-C 3.52Å; L149-K170 VanDerWaalsContact O-C 3.29Å; L149-L171 HydrophobicContact CB-CD1 4.33Å; L149-L171 HydrophobicContact CD2-CD1 4.09Å; L149-L171 HydrophobicContact CG-CD1 4.12Å; L149-L171 WeakPolarHBondContact O-CA 3.33Å; L149-L171 PolarHBondContact O-N 3.49Å
150	T	98.9	Very high	98.7	Very high	38 Å²	38	42.7 Å²	42.7	23%	0.233	20%	0.199	C	C	.	.			trans	-113.6	-26.3	179	57.9	0	0	0	0	112.2	K128 Q148 K172 E173	K128-T150 PolarHBondContact O-N 3.12Å; K128-T150 PolarHBondContact O-OG1 3.22Å; Q148-T150 PolarHBondContact O-N 3.27Å; T150-K172 WeakPolarHBondContact O-CA 3.42Å; T150-K172 PolarHBondContact O-N 3.26Å; T150-E173 PolarHBondContact O-N 3.35Å
151	L	98.9	Very high	98.7	Very high	10 Å²	10	48.2 Å²	48.2	5%	0.052	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.3	175.8	-174.6	160	0	0	0	108.9	K128 R129 L130 Y131 E153 E173 Y175	K128-L151 PolarHBondContact O-N 2.85Å; K128-L151 VanDerWaalsContact O-N 3.15Å; R129-L151 HydrophobicContact CB-CB 4.46Å; R129-L151 HydrophobicContact CG-CB 4.09Å; L130-L151 PolarHBondContact N-O 2.93Å; L130-L151 VanDerWaalsContact N-O 3.09Å; Y131-L151 HydrophobicContact CD1-CD2 3.93Å; Y131-L151 HydrophobicContact CE1-CD1 4.16Å; Y131-L151 HydrophobicContact CE1-CD2 3.41Å; Y131-L151 VanDerWaalsContact CE1-CD2 3.41Å; Y131-L151 HydrophobicContact CE1-CG 4.47Å; Y131-L151 HydrophobicContact CE2-CD2 4.44Å; L151-E153 HydrophobicContact CD2-CB 3.92Å; L151-E173 WeakPolarHBondContact CA-O 3.43Å; L151-E173 HydrophobicContact CB-CB 4.37Å; L151-E173 HydrophobicContact CD1-CB 4.47Å; L151-E173 WeakPolarHBondContact CD1-OE2 3.12Å; L151-E173 HydrophobicContact CG-CB 4.08Å; L151-Y175 HydrophobicContact CG-CE2 4.48Å
152	L	98.9	Very high	98.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	119.9	171.7	177.7	58.6	0	0	0	109	L130 L143 L149 L154 L165 L168 L171 E173 L174 Y175	L130-L152 HydrophobicContact CB-CD1 4.17Å; L130-L152 HydrophobicContact CD2-CD1 3.94Å; L130-L152 HydrophobicContact CG-CD1 4.14Å; L143-L152 HydrophobicContact CD1-CD1 4.36Å; L143-L152 HydrophobicContact CD1-CD2 3.8Å; L149-L152 HydrophobicContact CD2-CB 3.8Å; L149-L152 HydrophobicContact CD2-CD1 4.11Å; L149-L152 HydrophobicContact CD2-CD2 4.41Å; L149-L152 HydrophobicContact CD2-CG 4.32Å; L152-L154 HydrophobicContact CD1-CD1 4.02Å; L152-L154 HydrophobicContact CD1-CG 3.99Å; L152-L154 HydrophobicContact CD2-CD1 3.77Å; L152-L154 HydrophobicContact CG-CD1 3.82Å; L152-L154 HydrophobicContact CG-CG 4.11Å; L152-L165 HydrophobicContact CD2-CD2 3.77Å; L152-L168 HydrophobicContact CD2-CD1 4.14Å; L152-L171 HydrophobicContact CB-CD1 3.8Å; L152-L171 HydrophobicContact CB-CD2 4.29Å; L152-E173 PolarHBondContact N-O 3.17Å; L152-L174 HydrophobicContact CB-CD1 4.16Å; L152-L174 HydrophobicContact CD2-CD1 4.06Å; L152-L174 HydrophobicContact CG-CD1 4.16Å; L152-L174 WeakPolarHBondContact O-CA 3.17Å; L152-Y175 PolarHBondContact O-N 2.84Å
153	E	98.9	Very high	98.7	Very high	50 Å²	50	46.2 Å²	46.2	23%	0.234	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	114.4	-179.2	-179.8	160.3	-158.4	0	0	111.3	L130 Y131 L132 V133 L151 Y175	L130-E153 PolarHBondContact O-N 2.78Å; Y131-E153 HydrophobicContact CD1-CB 3.91Å; Y131-E153 HydrophobicContact CD1-CG 4.41Å; Y131-E153 VanDerWaalsContact CD1-OE2 3.25Å; Y131-E153 WeakPolarHBondContact CD1-OE2 3.47Å; Y131-E153 WeakPolarHBondContact CE1-OE2 3.26Å; L132-E153 PolarHBondContact N-O 3.43Å; V133-E153 HydrophobicContact CG2-CB 4.47Å; V133-E153 HydrophobicContact CG2-CG 3.34Å; L151-E153 HydrophobicContact CD2-CB 3.92Å; E153-Y175 HydrophobicContact CB-CD2 4.23Å; E153-Y175 HydrophobicContact CG-CD2 4.42Å; E153-Y175 HydrophobicContact CG-CG 4.34Å
154	L	98.9	Very high	98.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	23%	0.225	C	C	.	.			trans	-127.1	24	-173.8	-73.1	164.3	0	0	0	110.8	I118 L132 I137 I140 L152 N157 I159 Y175 V176 N179	I118-L154 HydrophobicContact CD1-CD2 3.99Å; L132-L154 HydrophobicContact CB-CD2 3.82Å; L132-L154 HydrophobicContact CD1-CD2 3.83Å; L132-L154 HydrophobicContact CG-CD2 4.49Å; I137-L154 HydrophobicContact CD1-CD2 4.12Å; I140-L154 HydrophobicContact CD1-CD1 4.06Å; I140-L154 HydrophobicContact CG1-CD1 4.01Å; L152-L154 HydrophobicContact CD1-CD1 4.02Å; L152-L154 HydrophobicContact CD1-CG 3.99Å; L152-L154 HydrophobicContact CD2-CD1 3.77Å; L152-L154 HydrophobicContact CG-CD1 3.82Å; L152-L154 HydrophobicContact CG-CG 4.11Å; L154-N157 PolarHBondContact O-ND2 3.14Å; L154-I159 HydrophobicContact CB-CD1 3.79Å; L154-I159 HydrophobicContact CD1-CD1 4.02Å; L154-I159 HydrophobicContact CD2-CD1 4.21Å; L154-I159 HydrophobicContact CG-CD1 4.25Å; L154-Y175 CarbonylContact C-O 3.25Å; L154-Y175 PolarHBondContact N-O 3.21Å; L154-V176 HydrophobicContact CB-CG1 4.13Å; L154-N179 PolarHBondContact O-ND2 3.03Å
155	G	98.8	Very high	98.7	Very high	7 Å²	7	44.2 Å²	44.2	7%	0.072	21%	0.205	C	C	.	.			trans	-58	152.6	179.7	0	0	0	0	0	112.8	V133 H134 N157 Y175 G177	V133-G155 CarbonylContact C-O 3.42Å; V133-G155 VanDerWaalsContact CA-O 3.29Å; V133-G155 WeakPolarHBondContact CA-O 3.36Å; H134-G155 PolarHBondContact N-O 3.01Å; G155-N157 PolarHBondContact O-N 3.29Å; G155-N157 PolarHBondContact O-ND2 3.46Å; G155-N157 VanDerWaalsContact O-ND2 3.11Å; G155-Y175 PolarHBondContact N-O 3.22Å; G155-G177 CarbonylContact C-O 3.51Å; G155-G177 WeakPolarHBondContact CA-O 3.18Å
156	N	98.8	Very high	98.6	Very high	86 Å²	86	45.2 Å²	45.2	46%	0.46	21%	0.207	S	C	.	.	S	Bend	trans	53.9	48	176.2	-63.4	-43.9	0	0	0	113.8	H134 G177 G178	H134-N156 VanDerWaalsContact CA-O 3.26Å; H134-N156 WeakPolarHBondContact CA-O 3.46Å; H134-N156 HydrophobicContact CB-CB 4.16Å; N156-G177 PolarHBondContact N-O 2.97Å; N156-G178 VanDerWaalsContact CA-O 3.31Å; N156-G178 WeakPolarHBondContact CA-O 3.2Å
157	N	98.9	Very high	98.6	Very high	10 Å²	10	46.6 Å²	46.6	5%	0.053	22%	0.217	C	C	.	.	S	Bend	trans	-114.7	-159	175.8	-86.5	-76.6	0	0	0	110.6	L132 N135 R136 I137 L154 G155 I159 G178 N179	L132-N157 PolarHBondContact O-ND2 3.16Å; N135-N157 WeakPolarHBondContact CA-OD1 3.23Å; N135-N157 WeakPolarHBondContact CB-OD1 3.34Å; N135-N157 PolarHBondContact N-OD1 3.13Å; N135-N157 PolarHBondContact O-OD1 3.27Å; R136-N157 PolarHBondContact N-OD1 3.09Å; I137-N157 HydrophobicContact CB-CB 4.36Å; I137-N157 VanDerWaalsContact CB-OD1 3.32Å; I137-N157 WeakPolarHBondContact CB-OD1 3.28Å; I137-N157 PolarHBondContact N-OD1 3.12Å; L154-N157 PolarHBondContact O-ND2 3.14Å; G155-N157 PolarHBondContact O-N 3.29Å; G155-N157 PolarHBondContact O-ND2 3.46Å; G155-N157 VanDerWaalsContact O-ND2 3.11Å; N157-I159 HydrophobicContact CB-CD1 4.18Å; N157-I159 HydrophobicContact CB-CG1 4.14Å; N157-G178 PolarHBondContact N-O 2.85Å; N157-N179 WeakPolarHBondContact CA-OD1 3.29Å; N157-N179 WeakPolarHBondContact CB-OD1 3.48Å; N157-N179 PolarHBondContact N-OD1 3.47Å; N157-N179 PolarHBondContact O-OD1 3.31Å
158	R	98.7	Very high	98.6	Very high	96 Å²	96	40.8 Å²	40.8	36%	0.362	19%	0.192	S	C	.	.			trans	-118.3	19.3	-179.9	-60	175.7	-178.3	178.9	1.9	111.9	I137 E138 N179	I137-R158 CarbonylContact O-C 3.21Å; I137-R158 WeakPolarHBondContact O-CA 3.04Å; I137-R158 WeakPolarHBondContact O-CB 3.26Å; I137-R158 PolarHBondContact O-N 2.83Å; E138-R158 HydrophobicContact CG-CB 4.03Å; R158-N179 PolarHBondContact N-OD1 2.7Å
159	I	98.8	Very high	98.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.			trans	-65.7	133.8	-173.1	-60.9	166.7	0	0	0	110	I137 E138 I140 L154 N157 K161 N179 K180 I181	I137-I159 HydrophobicContact CG2-CG1 4.32Å; I137-I159 PolarHBondContact O-N 2.98Å; E138-I159 WeakPolarHBondContact O-CA 3.3Å; I140-I159 HydrophobicContact CD1-CD1 4.44Å; I140-I159 HydrophobicContact CD1-CG2 4.23Å; I140-I159 HydrophobicContact CG1-CD1 3.95Å; I140-I159 HydrophobicContact CG1-CG1 4.49Å; I140-I159 HydrophobicContact CG1-CG2 4.02Å; L154-I159 HydrophobicContact CB-CD1 3.79Å; L154-I159 HydrophobicContact CD1-CD1 4.02Å; L154-I159 HydrophobicContact CD2-CD1 4.21Å; L154-I159 HydrophobicContact CG-CD1 4.25Å; N157-I159 HydrophobicContact CB-CD1 4.18Å; N157-I159 HydrophobicContact CB-CG1 4.14Å; I159-K161 WeakPolarHBondContact CG2-O 3.4Å; I159-N179 HydrophobicContact CB-CB 4.37Å; I159-N179 VanDerWaalsContact CB-OD1 3.29Å; I159-N179 WeakPolarHBondContact CB-OD1 3.42Å; I159-N179 PolarHBondContact N-OD1 3.2Å; I159-K180 CarbonylContact O-C 3.45Å; I159-K180 VanDerWaalsContact O-C 3.3Å; I159-K180 VanDerWaalsContact O-CA 3.3Å; I159-K180 WeakPolarHBondContact O-CA 3.45Å; I159-K180 WeakPolarHBondContact O-CB 3.45Å; I159-K180 PolarHBondContact O-N 2.76Å; I159-I181 HydrophobicContact CG2-CD1 4.45Å; I159-I181 HydrophobicContact CG2-CG1 4.29Å; I159-I181 PolarHBondContact O-N 2.75Å
160	R	98.6	Very high	98.6	Very high	138 Å²	138	45.1 Å²	45.1	52%	0.521	22%	0.215	S	C	.	.			trans	-105.8	-20.3	-177.4	-66	177	179.6	-94.3	6.5	114.2	K180 I181	R160-K180 HydrophobicContact CG-CB 4.13Å; R160-I181 WeakPolarHBondContact O-CA 3.33Å
161	K	98.5	Very high	98.6	Very high	115 Å²	115	43.3 Å²	43.3	50%	0.5	20%	0.204	S	C	.	.			trans	-146.8	150	-174.8	-67	-171.1	176.4	-170.9	0	110.9	I159	I159-K161 WeakPolarHBondContact CG2-O 3.4Å
162	L	98.5	Very high	98.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.219	C	C	.	.			trans	-86.1	112.8	166.4	-63.6	171.5	0	0	0	107.4	I140 L165 V176 I181 E185 N186 L187 L198	I140-L162 HydrophobicContact CD1-CD2 4.36Å; L162-L165 HydrophobicContact CD2-CD1 4.27Å; L162-V176 HydrophobicContact CD2-CG1 4.35Å; L162-V176 HydrophobicContact CD2-CG2 4.25Å; L162-I181 HydrophobicContact CD2-CD1 3.87Å; L162-I181 HydrophobicContact CG-CD1 4.23Å; L162-I181 HydrophobicContact CG-CG2 4.29Å; L162-E185 WeakPolarHBondContact CB-O 3.2Å; L162-N186 PolarHBondContact O-ND2 2.85Å; L162-L187 HydrophobicContact CD1-CD1 4.12Å; L162-L187 HydrophobicContact CD1-CD2 4.18Å; L162-L187 HydrophobicContact CD1-CG 4.23Å; L162-L198 HydrophobicContact CD1-CD2 4.36Å
163	E	98.2	Very high	98.6	Very high	50 Å²	50	49.8 Å²	49.8	23%	0.234	23%	0.233	C	C	.	.			trans	-152.2	158.9	-177.4	56.6	175.3	132.5	0	0	110.4	K139 I140 L165	K139-E163 VanDerWaalsContact CE-OE1 3.26Å; K139-E163 WeakPolarHBondContact CE-OE1 3.3Å; K139-E163 WeakPolarHBondContact CE-OE2 3.47Å; K139-E163 IonicContact NZ-OE2 3.09Å; K139-E163 PolarHBondContact NZ-OE2 2.74Å; I140-E163 WeakPolarHBondContact CB-O 3.44Å; I140-E163 VanDerWaalsContact CG2-O 3.3Å; I140-E163 WeakPolarHBondContact CG2-O 3.46Å; E163-L165 PolarHBondContact O-N 2.67Å
164	N	98.3	Very high	98.6	Very high	50 Å²	50	47.4 Å²	47.4	27%	0.267	22%	0.222	S	C	.	.	S	Bend	trans	59.7	30.4	175.9	-46.9	-54.4	0	0	0	113.8	I140 E166	I140-N164 PolarHBondContact O-ND2 2.92Å; N164-E166 WeakPolarHBondContact CA-OE2 3.38Å; N164-E166 PolarHBondContact N-OE2 2.94Å
165	L	98.5	Very high	98.6	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.232	C	C	.	.			trans	-104.1	-11.2	178.5	-66.6	171.7	0	0	0	112.4	I140 L152 L162 E163 S167 L168 L174 L187 L190	I140-L165 HydrophobicContact CD1-CD1 4.15Å; I140-L165 HydrophobicContact CD1-CD2 4.42Å; I140-L165 HydrophobicContact CD1-CG 4.41Å; I140-L165 HydrophobicContact CG2-CD2 3.85Å; I140-L165 HydrophobicContact CG2-CG 4.26Å; L152-L165 HydrophobicContact CD2-CD2 3.77Å; L162-L165 HydrophobicContact CD2-CD1 4.27Å; E163-L165 PolarHBondContact O-N 2.67Å; L165-S167 PolarHBondContact O-N 3.49Å; L165-L168 HydrophobicContact CD2-CD1 3.75Å; L165-L168 WeakPolarHBondContact O-CB 3.48Å; L165-L168 PolarHBondContact O-N 3.32Å; L165-L174 HydrophobicContact CD1-CD2 4.02Å; L165-L187 HydrophobicContact CD1-CD2 4.01Å; L165-L190 HydrophobicContact CB-CD1 4.41Å; L165-L190 WeakPolarHBondContact O-CD2 3.48Å
166	E	98.1	Very high	98.6	Very high	101 Å²	101	49.7 Å²	49.7	47%	0.472	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.4	-169.4	61.8	-89.5	-157.5	0	0	115	N164 K189	N164-E166 WeakPolarHBondContact CA-OE2 3.38Å; N164-E166 PolarHBondContact N-OE2 2.94Å; E166-K189 HydrophobicContact CB-CB 4.37Å; E166-K189 HydrophobicContact CB-CG 3.92Å; E166-K189 WeakPolarHBondContact O-CB 3.05Å
167	S	98.3	Very high	98.6	Very high	30 Å²	30	45.8 Å²	45.8	21%	0.21	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-19	178.2	57.5	0	0	0	0	113.5	E144 L165 T169	E144-S167 WeakPolarHBondContact CA-OG 3.2Å; L165-S167 PolarHBondContact O-N 3.49Å; S167-T169 PolarHBondContact O-N 2.9Å
168	L	98.6	Very high	98.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	22%	0.216	C	C	.	.			trans	-83.7	50	-174.6	-53.6	-176.5	0	0	0	111.5	L143 L146 L149 L152 L165 K170 L171 L190	L143-L168 HydrophobicContact CB-CD1 4.49Å; L143-L168 HydrophobicContact CD1-CD1 4.5Å; L143-L168 WeakPolarHBondContact O-CD2 3.38Å; L146-L168 HydrophobicContact CB-CD2 4.33Å; L146-L168 WeakPolarHBondContact O-CD2 3.09Å; L149-L168 HydrophobicContact CB-CD2 4.39Å; L149-L168 HydrophobicContact CD2-CD1 4.13Å; L152-L168 HydrophobicContact CD2-CD1 4.14Å; L165-L168 HydrophobicContact CD2-CD1 3.75Å; L165-L168 WeakPolarHBondContact O-CB 3.48Å; L165-L168 PolarHBondContact O-N 3.32Å; L168-K170 PolarHBondContact O-N 3Å; L168-L171 HydrophobicContact CB-CB 4.25Å; L168-L171 WeakPolarHBondContact O-CB 3.17Å; L168-L171 PolarHBondContact O-N 3.1Å; L168-L190 HydrophobicContact CB-CD2 4.26Å; L168-L190 WeakPolarHBondContact O-CD2 3.38Å
169	T	98.5	Very high	98.6	Very high	72 Å²	72	42.1 Å²	42.1	44%	0.442	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.2	-170.5	61.8	0	0	0	0	114.6	S167	S167-T169 PolarHBondContact O-N 2.9Å
170	K	98.7	Very high	98.6	Very high	94 Å²	94	45.1 Å²	45.1	41%	0.409	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-2	175.2	-66.9	-167.2	-179.3	-173.1	0	113.8	K147 L149 L168 K172	K147-K170 WeakPolarHBondContact O-CD 3.27Å; L149-K170 CarbonylContact O-C 3.52Å; L149-K170 VanDerWaalsContact O-C 3.29Å; L168-K170 PolarHBondContact O-N 3Å; K170-K172 PolarHBondContact O-N 3.32Å
171	L	98.8	Very high	98.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.			trans	-63.3	126.4	-176.8	-158.5	74.1	0	0	0	110.1	L149 L152 L168 L174 L190 E192 L193	L149-L171 HydrophobicContact CB-CD1 4.33Å; L149-L171 HydrophobicContact CD2-CD1 4.09Å; L149-L171 HydrophobicContact CG-CD1 4.12Å; L149-L171 WeakPolarHBondContact O-CA 3.33Å; L149-L171 PolarHBondContact O-N 3.49Å; L152-L171 HydrophobicContact CB-CD1 3.8Å; L152-L171 HydrophobicContact CB-CD2 4.29Å; L168-L171 HydrophobicContact CB-CB 4.25Å; L168-L171 WeakPolarHBondContact O-CB 3.17Å; L168-L171 PolarHBondContact O-N 3.1Å; L171-L174 HydrophobicContact CD2-CB 3.94Å; L171-L174 HydrophobicContact CD2-CD1 4.19Å; L171-L174 HydrophobicContact CD2-CG 4.45Å; L171-L190 HydrophobicContact CB-CD2 4.49Å; L171-L190 HydrophobicContact CD2-CD1 4.1Å; L171-E192 CarbonylContact O-C 3.15Å; L171-E192 VanDerWaalsContact O-C 3.31Å; L171-L193 HydrophobicContact CB-CD1 4.4Å; L171-L193 HydrophobicContact CD2-CD1 4.1Å; L171-L193 HydrophobicContact CG-CD1 4.15Å; L171-L193 WeakPolarHBondContact O-CA 3.2Å; L171-L193 PolarHBondContact O-N 3.18Å
172	K	98.9	Very high	98.6	Very high	82 Å²	82	36.8 Å²	36.8	36%	0.357	19%	0.188	S	C	.	.			trans	-106.3	-32	178.1	-63.9	-179.3	-178.9	177.1	0	111.4	T150 K170 R194 V195	T150-K172 WeakPolarHBondContact O-CA 3.42Å; T150-K172 PolarHBondContact O-N 3.26Å; K170-K172 PolarHBondContact O-N 3.32Å; K172-R194 WeakPolarHBondContact O-CA 3.27Å; K172-R194 PolarHBondContact O-N 2.97Å; K172-V195 PolarHBondContact O-N 3.16Å
173	E	98.9	Very high	98.6	Very high	64 Å²	64	39.1 Å²	39.1	30%	0.299	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123.2	-174.6	-60.9	173.7	-142.8	0	0	109.7	T150 L151 L152 Y175 V195	T150-E173 PolarHBondContact O-N 3.35Å; L151-E173 WeakPolarHBondContact CA-O 3.43Å; L151-E173 HydrophobicContact CB-CB 4.37Å; L151-E173 HydrophobicContact CD1-CB 4.47Å; L151-E173 WeakPolarHBondContact CD1-OE2 3.12Å; L151-E173 HydrophobicContact CG-CB 4.08Å; L152-E173 PolarHBondContact N-O 3.17Å; E173-Y175 HydrophobicContact CB-CD2 4.39Å; E173-Y175 HydrophobicContact CB-CE2 3.71Å; E173-Y175 PolarHBondContact OE2-OH 2.82Å; E173-V195 HydrophobicContact CB-CB 4.41Å; E173-V195 HydrophobicContact CG-CB 4.09Å; E173-V195 HydrophobicContact CG-CG2 4.24Å
174	L	98.9	Very high	98.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.9	176.9	178.8	59.9	0	0	0	109.8	L152 L165 L171 V176 L187 L190 L193 V195 L196 S197	L152-L174 HydrophobicContact CB-CD1 4.16Å; L152-L174 HydrophobicContact CD2-CD1 4.06Å; L152-L174 HydrophobicContact CG-CD1 4.16Å; L152-L174 WeakPolarHBondContact O-CA 3.17Å; L165-L174 HydrophobicContact CD1-CD2 4.02Å; L171-L174 HydrophobicContact CD2-CB 3.94Å; L171-L174 HydrophobicContact CD2-CD1 4.19Å; L171-L174 HydrophobicContact CD2-CG 4.45Å; L174-V176 HydrophobicContact CD1-CG1 3.84Å; L174-V176 HydrophobicContact CG-CG1 4.18Å; L174-L187 HydrophobicContact CD2-CD2 4.08Å; L174-L190 HydrophobicContact CD2-CD1 4.44Å; L174-L193 HydrophobicContact CB-CD1 3.86Å; L174-L193 HydrophobicContact CB-CD2 4.45Å; L174-V195 PolarHBondContact N-O 2.99Å; L174-L196 HydrophobicContact CB-CD1 4.19Å; L174-L196 HydrophobicContact CD2-CD1 3.94Å; L174-L196 HydrophobicContact CG-CD1 4.15Å; L174-S197 PolarHBondContact O-N 3.34Å
175	Y	98.9	Very high	98.5	Very high	56 Å²	56	37.2 Å²	37.2	22%	0.22	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.9	178	-61.1	-88.6	0	0	0	109.6	L151 L152 E153 L154 G155 E173 V195	L151-Y175 HydrophobicContact CG-CE2 4.48Å; L152-Y175 PolarHBondContact O-N 2.84Å; E153-Y175 HydrophobicContact CB-CD2 4.23Å; E153-Y175 HydrophobicContact CG-CD2 4.42Å; E153-Y175 HydrophobicContact CG-CG 4.34Å; L154-Y175 CarbonylContact C-O 3.25Å; L154-Y175 PolarHBondContact N-O 3.21Å; G155-Y175 PolarHBondContact N-O 3.22Å; E173-Y175 HydrophobicContact CB-CD2 4.39Å; E173-Y175 HydrophobicContact CB-CE2 3.71Å; E173-Y175 PolarHBondContact OE2-OH 2.82Å; Y175-V195 HydrophobicContact CE1-CG1 3.94Å
176	V	98.8	Very high	98.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.			trans	-133.8	25.5	-179.7	-71	0	0	0	0	111	L154 L162 L174 N179 I181 S197 L198 N201	L154-V176 HydrophobicContact CB-CG1 4.13Å; L162-V176 HydrophobicContact CD2-CG1 4.35Å; L162-V176 HydrophobicContact CD2-CG2 4.25Å; L174-V176 HydrophobicContact CD1-CG1 3.84Å; L174-V176 HydrophobicContact CG-CG1 4.18Å; V176-N179 PolarHBondContact O-ND2 3.11Å; V176-I181 HydrophobicContact CB-CD1 3.9Å; V176-I181 HydrophobicContact CG2-CD1 3.94Å; V176-S197 CarbonylContact C-O 3.31Å; V176-S197 WeakPolarHBondContact CG2-O 3.24Å; V176-S197 PolarHBondContact N-O 2.88Å; V176-L198 HydrophobicContact CG2-CD2 3.32Å; V176-L198 HydrophobicContact CG2-CG 3.93Å; V176-N201 PolarHBondContact O-ND2 3.17Å
177	G	98.7	Very high	98.4	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	19%	0.19	C	C	.	.			trans	-62.3	157.1	175.4	0	0	0	0	0	113.1	G155 N156 N179 S197 Q199	G155-G177 CarbonylContact C-O 3.51Å; G155-G177 WeakPolarHBondContact CA-O 3.18Å; N156-G177 PolarHBondContact N-O 2.97Å; G177-N179 PolarHBondContact O-N 2.97Å; G177-N179 PolarHBondContact O-ND2 3.23Å; G177-S197 PolarHBondContact N-O 3.01Å; G177-Q199 CarbonylContact C-O 3.58Å; G177-Q199 WeakPolarHBondContact CA-O 3.49Å
178	G	98.7	Very high	98.4	Very high	19 Å²	19	38.3 Å²	38.3	20%	0.196	20%	0.2	C	C	.	.	S	Bend	trans	64.2	40.3	178.5	0	0	0	0	0	113.6	N156 N157 Q199 D200	N156-G178 VanDerWaalsContact CA-O 3.31Å; N156-G178 WeakPolarHBondContact CA-O 3.2Å; N157-G178 PolarHBondContact N-O 2.85Å; G178-Q199 PolarHBondContact N-O 3.46Å; G178-D200 WeakPolarHBondContact CA-O 3.3Å; G178-D200 PolarHBondContact N-O 3.2Å
179	N	98.9	Very high	98.4	Very high	10 Å²	10	43.4 Å²	43.4	5%	0.053	22%	0.223	C	C	.	.	S	Bend	trans	-119.8	-164.5	-180	-85.6	-75.5	0	0	0	111.1	L154 N157 R158 I159 V176 G177 I181 D200 N201	L154-N179 PolarHBondContact O-ND2 3.03Å; N157-N179 WeakPolarHBondContact CA-OD1 3.29Å; N157-N179 WeakPolarHBondContact CB-OD1 3.48Å; N157-N179 PolarHBondContact N-OD1 3.47Å; N157-N179 PolarHBondContact O-OD1 3.31Å; R158-N179 PolarHBondContact N-OD1 2.7Å; I159-N179 HydrophobicContact CB-CB 4.37Å; I159-N179 VanDerWaalsContact CB-OD1 3.29Å; I159-N179 WeakPolarHBondContact CB-OD1 3.42Å; I159-N179 PolarHBondContact N-OD1 3.2Å; V176-N179 PolarHBondContact O-ND2 3.11Å; G177-N179 PolarHBondContact O-N 2.97Å; G177-N179 PolarHBondContact O-ND2 3.23Å; N179-I181 HydrophobicContact CB-CD1 4.2Å; N179-I181 HydrophobicContact CB-CG1 4.18Å; N179-D200 PolarHBondContact N-O 2.92Å; N179-N201 WeakPolarHBondContact CA-OD1 3.28Å; N179-N201 WeakPolarHBondContact CB-OD1 3.06Å; N179-N201 PolarHBondContact O-OD1 2.96Å
180	K	98.7	Very high	98.4	Very high	62 Å²	62	40 Å²	40	27%	0.27	20%	0.202	S	C	.	.			trans	-118.2	27.2	-179.7	-59.3	175.6	-174.4	170	0	111.5	I159 R160 N201	I159-K180 CarbonylContact O-C 3.45Å; I159-K180 VanDerWaalsContact O-C 3.3Å; I159-K180 VanDerWaalsContact O-CA 3.3Å; I159-K180 WeakPolarHBondContact O-CA 3.45Å; I159-K180 WeakPolarHBondContact O-CB 3.45Å; I159-K180 PolarHBondContact O-N 2.76Å; R160-K180 HydrophobicContact CG-CB 4.13Å; K180-N201 PolarHBondContact N-OD1 2.8Å
181	I	98.8	Very high	98.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.201	C	C	.	.			trans	-71.4	131	-176.3	-60.2	165.5	0	0	0	109.6	I159 R160 L162 V176 N179 S183 L198 N201 R202 I203	I159-I181 HydrophobicContact CG2-CD1 4.45Å; I159-I181 HydrophobicContact CG2-CG1 4.29Å; I159-I181 PolarHBondContact O-N 2.75Å; R160-I181 WeakPolarHBondContact O-CA 3.33Å; L162-I181 HydrophobicContact CD2-CD1 3.87Å; L162-I181 HydrophobicContact CG-CD1 4.23Å; L162-I181 HydrophobicContact CG-CG2 4.29Å; V176-I181 HydrophobicContact CB-CD1 3.9Å; V176-I181 HydrophobicContact CG2-CD1 3.94Å; N179-I181 HydrophobicContact CB-CD1 4.2Å; N179-I181 HydrophobicContact CB-CG1 4.18Å; I181-S183 VanDerWaalsContact CG2-O 3.3Å; I181-S183 WeakPolarHBondContact CG2-O 3.42Å; I181-L198 HydrophobicContact CD1-CD2 4.18Å; I181-N201 HydrophobicContact CB-CB 4.41Å; I181-N201 VanDerWaalsContact CB-OD1 3.25Å; I181-N201 WeakPolarHBondContact CB-OD1 3.48Å; I181-N201 WeakPolarHBondContact CG1-OD1 3.41Å; I181-N201 PolarHBondContact N-OD1 3.1Å; I181-R202 CarbonylContact O-C 3.43Å; I181-R202 VanDerWaalsContact O-CA 3.32Å; I181-R202 WeakPolarHBondContact O-CA 3.19Å; I181-R202 WeakPolarHBondContact O-CB 3.37Å; I181-R202 PolarHBondContact O-N 3.46Å; I181-I203 HydrophobicContact CG2-CG1 4.48Å; I181-I203 PolarHBondContact O-N 3.4Å
182	V	98.4	Very high	98.3	Very high	79 Å²	79	42.5 Å²	42.5	48%	0.479	22%	0.22	S	C	.	.			trans	-102.7	-22.9	-175.1	-176.2	0	0	0	0	112.6	R202	V182-R202 HydrophobicContact CG2-CB 4.25Å
183	S	97.8	Very high	98.3	Very high	48 Å²	48	38.6 Å²	38.6	34%	0.336	20%	0.203	S	C	.	.	S	Bend	trans	-147.3	146.6	-177.2	47.1	0	0	0	0	111.5	I181	I181-S183 VanDerWaalsContact CG2-O 3.3Å; I181-S183 WeakPolarHBondContact CG2-O 3.42Å
184	V	97.5	Very high	98.3	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	21%	0.207	C	C	.	.			trans	-84.9	112.7	168.8	-175.9	0	0	0	0	108.5	L187 L198 I203 A207 S208 L209	V184-L187 HydrophobicContact CG1-CD1 3.83Å; V184-L198 HydrophobicContact CG2-CD1 3.77Å; V184-I203 HydrophobicContact CG2-CD1 3.89Å; V184-I203 HydrophobicContact CG2-CG1 4.49Å; V184-I203 HydrophobicContact CG2-CG2 4.28Å; V184-A207 WeakPolarHBondContact CB-O 3.32Å; V184-A207 WeakPolarHBondContact CG1-O 3.09Å; V184-S208 VanDerWaalsContact O-CB 3.24Å; V184-S208 WeakPolarHBondContact O-CB 3.44Å; V184-S208 PolarHBondContact O-OG 3.39Å; V184-L209 HydrophobicContact CG1-CD2 3.81Å; V184-L209 HydrophobicContact CG1-CG 4.37Å
185	E	97	Very high	98.3	Very high	56 Å²	56	41.5 Å²	41.5	26%	0.262	21%	0.213	S	C	.	.			trans	-148.4	163.9	-176.3	59.1	-177.4	178.7	0	0	110.7	L162 L187	L162-E185 WeakPolarHBondContact CB-O 3.2Å; E185-L187 VanDerWaalsContact C-N 3.29Å; E185-L187 PolarHBondContact O-N 3.31Å
186	N	97.3	Very high	98.3	Very high	74 Å²	74	38.9 Å²	38.9	40%	0.396	20%	0.203	S	C	.	.	S	Bend	trans	60.1	28.3	172.5	-52.9	-40.8	0	0	0	116	L162	L162-N186 PolarHBondContact O-ND2 2.85Å
187	L	98	Very high	98.3	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.204	C	C	.	.			trans	-103.7	2.4	176.4	-56.2	-176.4	0	0	0	113.4	L162 L165 L174 V184 E185 K189 L190 L196 L212	L162-L187 HydrophobicContact CD1-CD1 4.12Å; L162-L187 HydrophobicContact CD1-CD2 4.18Å; L162-L187 HydrophobicContact CD1-CG 4.23Å; L165-L187 HydrophobicContact CD1-CD2 4.01Å; L174-L187 HydrophobicContact CD2-CD2 4.08Å; V184-L187 HydrophobicContact CG1-CD1 3.83Å; E185-L187 VanDerWaalsContact C-N 3.29Å; E185-L187 PolarHBondContact O-N 3.31Å; L187-K189 PolarHBondContact O-N 3.39Å; L187-L190 HydrophobicContact CD2-CD1 3.78Å; L187-L190 PolarHBondContact O-N 2.85Å; L187-L196 HydrophobicContact CD1-CD1 4.27Å; L187-L196 HydrophobicContact CD1-CD2 3.75Å; L187-L212 HydrophobicContact CB-CD1 4.26Å; L187-L212 HydrophobicContact CB-CD2 4.45Å; L187-L212 HydrophobicContact CD1-CD1 4.24Å; L187-L212 WeakPolarHBondContact O-CD2 3.2Å
188	D	97.4	Very high	98.3	Very high	80 Å²	80	38.8 Å²	38.8	43%	0.428	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.6	-170.6	66.1	-72.7	0	0	0	114.5	A211	D188-A211 HydrophobicContact CB-CB 4.26Å; D188-A211 WeakPolarHBondContact O-CB 3.38Å
189	K	98.3	Very high	98.3	Very high	107 Å²	107	40.5 Å²	40.5	47%	0.465	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-13.7	176.9	-56	-52.1	179.6	-141.3	0	114.4	E166 L187 T191	E166-K189 HydrophobicContact CB-CB 4.37Å; E166-K189 HydrophobicContact CB-CG 3.92Å; E166-K189 WeakPolarHBondContact O-CB 3.05Å; L187-K189 PolarHBondContact O-N 3.39Å; K189-T191 PolarHBondContact O-N 3.22Å
190	L	98.4	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.226	C	C	.	.			trans	-85.1	53.7	-175.7	-52.6	-170.7	0	0	0	111.1	L165 L168 L171 L174 L187 E192 L193 L212	L165-L190 HydrophobicContact CB-CD1 4.41Å; L165-L190 WeakPolarHBondContact O-CD2 3.48Å; L168-L190 HydrophobicContact CB-CD2 4.26Å; L168-L190 WeakPolarHBondContact O-CD2 3.38Å; L171-L190 HydrophobicContact CB-CD2 4.49Å; L171-L190 HydrophobicContact CD2-CD1 4.1Å; L174-L190 HydrophobicContact CD2-CD1 4.44Å; L187-L190 HydrophobicContact CD2-CD1 3.78Å; L187-L190 PolarHBondContact O-N 2.85Å; L190-E192 PolarHBondContact O-N 3.18Å; L190-E192 VanDerWaalsContact O-N 3.12Å; L190-L193 HydrophobicContact CB-CB 4.22Å; L190-L193 WeakPolarHBondContact O-CB 3.32Å; L190-L193 PolarHBondContact O-N 3.41Å; L190-L212 HydrophobicContact CB-CD2 4.23Å; L190-L212 WeakPolarHBondContact O-CD2 3.33Å
191	T	98.2	Very high	98.3	Very high	64 Å²	64	42.1 Å²	42.1	39%	0.393	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.2	-170.9	55.3	0	0	0	0	114.2	K189 N214	K189-T191 PolarHBondContact O-N 3.22Å; T191-N214 PolarHBondContact O-ND2 3.47Å
192	E	98.6	Very high	98.3	Very high	84 Å²	84	48.4 Å²	48.4	39%	0.393	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.6	175	-64.9	-62.4	144.8	0	0	113.3	L171 L190 R194	L171-E192 CarbonylContact O-C 3.15Å; L171-E192 VanDerWaalsContact O-C 3.31Å; L190-E192 PolarHBondContact O-N 3.18Å; L190-E192 VanDerWaalsContact O-N 3.12Å; E192-R194 PolarHBondContact O-N 2.98Å
193	L	98.8	Very high	98.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.			trans	-64.4	127.1	-176.5	-157.5	76.6	0	0	0	110.9	L171 L174 L190 L196 L212 N214 L215	L171-L193 HydrophobicContact CB-CD1 4.4Å; L171-L193 HydrophobicContact CD2-CD1 4.1Å; L171-L193 HydrophobicContact CG-CD1 4.15Å; L171-L193 WeakPolarHBondContact O-CA 3.2Å; L171-L193 PolarHBondContact O-N 3.18Å; L174-L193 HydrophobicContact CB-CD1 3.86Å; L174-L193 HydrophobicContact CB-CD2 4.45Å; L190-L193 HydrophobicContact CB-CB 4.22Å; L190-L193 WeakPolarHBondContact O-CB 3.32Å; L190-L193 PolarHBondContact O-N 3.41Å; L193-L196 HydrophobicContact CD2-CB 3.93Å; L193-L196 HydrophobicContact CD2-CD1 4.21Å; L193-L196 HydrophobicContact CD2-CD2 4.48Å; L193-L196 HydrophobicContact CD2-CG 4.43Å; L193-L212 HydrophobicContact CB-CD2 4.34Å; L193-L212 HydrophobicContact CD2-CD1 4.02Å; L193-N214 CarbonylContact O-C 3.45Å; L193-L215 HydrophobicContact CD2-CD1 4.26Å; L193-L215 HydrophobicContact CG-CD1 4.39Å; L193-L215 PolarHBondContact O-N 2.88Å
194	R	98.8	Very high	98.3	Very high	102 Å²	102	46.5 Å²	46.5	39%	0.385	23%	0.227	S	C	.	.			trans	-110.9	-37.1	179.2	-62	-175.1	-178.7	-152.1	-2.4	112	K172 E192 E216 G217	K172-R194 WeakPolarHBondContact O-CA 3.27Å; K172-R194 PolarHBondContact O-N 2.97Å; E192-R194 PolarHBondContact O-N 2.98Å; R194-E216 HydrophobicContact CB-CB 4.5Å; R194-E216 HydrophobicContact CB-CG 4.5Å; R194-E216 IonicContact CZ-OE1 2.66Å; R194-E216 IonicContact NE-OE1 2.78Å; R194-E216 IonicContact NH1-OE1 3.72Å; R194-E216 WeakPolarHBondContact O-CA 3.25Å; R194-E216 PolarHBondContact O-N 2.9Å; R194-G217 PolarHBondContact O-N 2.57Å
195	V	98.9	Very high	98.4	Very high	23 Å²	23	51.4 Å²	51.4	14%	0.139	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.6	178.4	-178.3	0	0	0	0	109.9	K172 E173 L174 Y175 G217 Y219	K172-V195 PolarHBondContact O-N 3.16Å; E173-V195 HydrophobicContact CB-CB 4.41Å; E173-V195 HydrophobicContact CG-CB 4.09Å; E173-V195 HydrophobicContact CG-CG2 4.24Å; L174-V195 PolarHBondContact N-O 2.99Å; Y175-V195 HydrophobicContact CE1-CG1 3.94Å; V195-G217 WeakPolarHBondContact CA-O 3.41Å; V195-Y219 HydrophobicContact CG1-CD2 4.35Å; V195-Y219 HydrophobicContact CG1-CE2 3.96Å
196	L	98.8	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	113.2	172.4	179.4	58.3	0	0	0	109.6	L174 L187 L193 L198 L209 L212 L215 G217 L218 Y219	L174-L196 HydrophobicContact CB-CD1 4.19Å; L174-L196 HydrophobicContact CD2-CD1 3.94Å; L174-L196 HydrophobicContact CG-CD1 4.15Å; L187-L196 HydrophobicContact CD1-CD1 4.27Å; L187-L196 HydrophobicContact CD1-CD2 3.75Å; L193-L196 HydrophobicContact CD2-CB 3.93Å; L193-L196 HydrophobicContact CD2-CD1 4.21Å; L193-L196 HydrophobicContact CD2-CD2 4.48Å; L193-L196 HydrophobicContact CD2-CG 4.43Å; L196-L198 HydrophobicContact CD1-CD1 3.95Å; L196-L198 HydrophobicContact CD1-CG 4.04Å; L196-L198 HydrophobicContact CD2-CD1 3.7Å; L196-L198 HydrophobicContact CG-CD1 3.67Å; L196-L198 HydrophobicContact CG-CG 4.11Å; L196-L209 HydrophobicContact CD2-CD2 3.71Å; L196-L212 HydrophobicContact CD2-CD1 4.3Å; L196-L215 HydrophobicContact CB-CD1 3.78Å; L196-G217 PolarHBondContact N-O 3.02Å; L196-L218 HydrophobicContact CB-CD1 4.19Å; L196-L218 HydrophobicContact CD2-CD1 4.07Å; L196-L218 HydrophobicContact CG-CD1 4.21Å; L196-Y219 PolarHBondContact O-N 3.11Å
197	S	98.8	Very high	98.3	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	114.6	-179.1	156.4	0	0	0	0	110.1	L174 V176 G177 Q199	L174-S197 PolarHBondContact O-N 3.34Å; V176-S197 CarbonylContact C-O 3.31Å; V176-S197 WeakPolarHBondContact CG2-O 3.24Å; V176-S197 PolarHBondContact N-O 2.88Å; G177-S197 PolarHBondContact N-O 3.01Å; S197-Q199 PolarHBondContact OG-NE2 3.44Å; S197-Q199 PolarHBondContact OG-OE1 2.82Å
198	L	98.8	Very high	98.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	C	.	.			trans	-129.7	18.5	-174.4	-76.5	159.6	0	0	0	111.4	L162 V176 I181 V184 L196 N201 I203 Y219 L220 N223	L162-L198 HydrophobicContact CD1-CD2 4.36Å; V176-L198 HydrophobicContact CG2-CD2 3.32Å; V176-L198 HydrophobicContact CG2-CG 3.93Å; I181-L198 HydrophobicContact CD1-CD2 4.18Å; V184-L198 HydrophobicContact CG2-CD1 3.77Å; L196-L198 HydrophobicContact CD1-CD1 3.95Å; L196-L198 HydrophobicContact CD1-CG 4.04Å; L196-L198 HydrophobicContact CD2-CD1 3.7Å; L196-L198 HydrophobicContact CG-CD1 3.67Å; L196-L198 HydrophobicContact CG-CG 4.11Å; L198-N201 PolarHBondContact O-ND2 3.36Å; L198-I203 HydrophobicContact CB-CD1 3.91Å; L198-I203 HydrophobicContact CD1-CD1 4.13Å; L198-I203 HydrophobicContact CD2-CD1 3.89Å; L198-I203 HydrophobicContact CG-CD1 4.22Å; L198-Y219 CarbonylContact C-O 3.35Å; L198-Y219 WeakPolarHBondContact CA-O 3.37Å; L198-Y219 PolarHBondContact N-O 3.4Å; L198-L220 HydrophobicContact CB-CD2 3.77Å; L198-L220 HydrophobicContact CD1-CD2 3.87Å; L198-L220 HydrophobicContact CG-CD2 4.5Å; L198-N223 PolarHBondContact O-ND2 3.19Å
199	Q	98.7	Very high	98.1	Very high	54 Å²	54	46 Å²	46	25%	0.252	23%	0.23	S	C	.	.			trans	-57.5	153.1	179.9	65.2	-81.7	-3.9	0	0	112.6	G177 G178 S197 N201 Y219 S221	G177-Q199 CarbonylContact C-O 3.58Å; G177-Q199 WeakPolarHBondContact CA-O 3.49Å; G178-Q199 PolarHBondContact N-O 3.46Å; S197-Q199 PolarHBondContact OG-NE2 3.44Å; S197-Q199 PolarHBondContact OG-OE1 2.82Å; Q199-N201 PolarHBondContact O-N 3.44Å; Q199-N201 PolarHBondContact O-ND2 3.32Å; Q199-Y219 PolarHBondContact N-O 2.93Å; Q199-S221 CarbonylContact C-O 3.09Å; Q199-S221 WeakPolarHBondContact CA-O 3.37Å; Q199-S221 WeakPolarHBondContact CB-OG 3.36Å
200	D	98.7	Very high	98	Very high	93 Å²	93	44.7 Å²	44.7	50%	0.497	23%	0.228	S	C	.	.	S	Bend	trans	52.6	52.9	176.4	-57.1	-49.3	0	0	0	113.1	G178 N179 S221 G222	G178-D200 WeakPolarHBondContact CA-O 3.3Å; G178-D200 PolarHBondContact N-O 3.2Å; N179-D200 PolarHBondContact N-O 2.92Å; D200-S221 PolarHBondContact N-O 2.93Å; D200-G222 WeakPolarHBondContact CA-O 3.44Å
201	N	98.8	Very high	98	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.07	24%	0.241	C	C	.	.	S	Bend	trans	-118.7	-160.2	173.6	-87.6	-77.2	0	0	0	110	V176 N179 K180 I181 L198 Q199 I203 N223	V176-N201 PolarHBondContact O-ND2 3.17Å; N179-N201 WeakPolarHBondContact CA-OD1 3.28Å; N179-N201 WeakPolarHBondContact CB-OD1 3.06Å; N179-N201 PolarHBondContact O-OD1 2.96Å; K180-N201 PolarHBondContact N-OD1 2.8Å; I181-N201 HydrophobicContact CB-CB 4.41Å; I181-N201 VanDerWaalsContact CB-OD1 3.25Å; I181-N201 WeakPolarHBondContact CB-OD1 3.48Å; I181-N201 WeakPolarHBondContact CG1-OD1 3.41Å; I181-N201 PolarHBondContact N-OD1 3.1Å; L198-N201 PolarHBondContact O-ND2 3.36Å; Q199-N201 PolarHBondContact O-N 3.44Å; Q199-N201 PolarHBondContact O-ND2 3.32Å; N201-I203 HydrophobicContact CB-CD1 4.15Å; N201-I203 HydrophobicContact CB-CG1 4.23Å; N201-N223 WeakPolarHBondContact CA-OD1 3.14Å; N201-N223 VanDerWaalsContact CB-OD1 3.26Å; N201-N223 WeakPolarHBondContact CB-OD1 3.39Å; N201-N223 PolarHBondContact O-OD1 3.22Å
202	R	98.5	Very high	98	Very high	132 Å²	132	43.2 Å²	43.2	50%	0.498	22%	0.222	S	C	.	.			trans	-122.1	27.2	-178.2	-56.9	176	-176.4	-169	-5.8	111.4	I181 V182 N223	I181-R202 CarbonylContact O-C 3.43Å; I181-R202 VanDerWaalsContact O-CA 3.32Å; I181-R202 WeakPolarHBondContact O-CA 3.19Å; I181-R202 WeakPolarHBondContact O-CB 3.37Å; I181-R202 PolarHBondContact O-N 3.46Å; V182-R202 HydrophobicContact CG2-CB 4.25Å; R202-N223 PolarHBondContact N-OD1 3.13Å
203	I	98.7	Very high	97.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.			trans	-73	132	-176	-60.9	162.4	0	0	0	108.5	I181 V184 L198 N201 K205 L220 N223 G224 I225	I181-I203 HydrophobicContact CG2-CG1 4.48Å; I181-I203 PolarHBondContact O-N 3.4Å; V184-I203 HydrophobicContact CG2-CD1 3.89Å; V184-I203 HydrophobicContact CG2-CG1 4.49Å; V184-I203 HydrophobicContact CG2-CG2 4.28Å; L198-I203 HydrophobicContact CB-CD1 3.91Å; L198-I203 HydrophobicContact CD1-CD1 4.13Å; L198-I203 HydrophobicContact CD2-CD1 3.89Å; L198-I203 HydrophobicContact CG-CD1 4.22Å; N201-I203 HydrophobicContact CB-CD1 4.15Å; N201-I203 HydrophobicContact CB-CG1 4.23Å; I203-K205 VanDerWaalsContact CG2-O 3.28Å; I203-K205 WeakPolarHBondContact CG2-O 3.29Å; I203-L220 HydrophobicContact CD1-CD2 4Å; I203-N223 HydrophobicContact CB-CB 4.37Å; I203-N223 VanDerWaalsContact CB-OD1 3.29Å; I203-N223 WeakPolarHBondContact CB-OD1 3.07Å; I203-N223 PolarHBondContact N-OD1 3.15Å; I203-G224 CarbonylContact O-C 3.57Å; I203-G224 WeakPolarHBondContact O-CA 3.42Å; I203-G224 PolarHBondContact O-N 3.17Å; I203-I225 HydrophobicContact CG2-CD1 4.4Å; I203-I225 HydrophobicContact CG2-CG1 4.23Å; I203-I225 PolarHBondContact O-N 2.68Å
204	T	98.2	Very high	97.9	Very high	88 Å²	88	47.3 Å²	47.3	54%	0.54	24%	0.241	S	C	.	.			trans	-113.1	-10.6	-180	54	0	0	0	0	113.4
205	K	97.8	Very high	97.9	Very high	106 Å²	106	42.5 Å²	42.5	46%	0.461	22%	0.222	S	C	.	.	S	Bend	trans	-147.2	134.2	-176.1	-169.3	-179.8	-170.9	-177.8	0	110.4	I203 E229	I203-K205 VanDerWaalsContact CG2-O 3.28Å; I203-K205 WeakPolarHBondContact CG2-O 3.29Å; K205-E229 WeakPolarHBondContact CE-OE1 3.26Å; K205-E229 WeakPolarHBondContact CE-OE2 3.49Å; K205-E229 WeakPolarHBondContact CG-OE1 3.2Å; K205-E229 IonicContact NZ-OE1 3.86Å; K205-E229 IonicContact NZ-OE2 3.24Å; K205-E229 PolarHBondContact NZ-OE2 3.26Å; K205-E229 VanDerWaalsContact NZ-OE2 3.09Å
206	I	97	Very high	97.9	Very high	4 Å²	4	44 Å²	44	2%	0.021	23%	0.228	C	C	.	.			trans	-79	120.5	168.2	-54.3	178.3	0	0	0	107.7	L209 L220 I225 E229 L231 L242	I206-L209 HydrophobicContact CG2-CD1 3.63Å; I206-L220 HydrophobicContact CD1-CD1 4.02Å; I206-L220 HydrophobicContact CG1-CD1 4.04Å; I206-I225 HydrophobicContact CD1-CD1 4.36Å; I206-I225 HydrophobicContact CD1-CG2 4.17Å; I206-I225 HydrophobicContact CG1-CD1 3.88Å; I206-I225 HydrophobicContact CG1-CG1 4.34Å; I206-I225 HydrophobicContact CG1-CG2 3.97Å; I206-E229 WeakPolarHBondContact CB-O 3.45Å; I206-E229 VanDerWaalsContact CG2-O 3.25Å; I206-E229 WeakPolarHBondContact CG2-O 3.48Å; I206-L231 HydrophobicContact CD1-CD1 4.25Å; I206-L231 HydrophobicContact CG2-CD2 3.78Å; I206-L231 HydrophobicContact CG2-CG 4.08Å; I206-L242 HydrophobicContact CD1-CD2 3.91Å
207	A	95.3	Very high	97.9	Very high	32 Å²	32	44.2 Å²	44.2	26%	0.264	23%	0.23	S	C	.	.			trans	-153.8	165.2	-177.7	0	0	0	0	0	110.4	V184 L209	V184-A207 WeakPolarHBondContact CB-O 3.32Å; V184-A207 WeakPolarHBondContact CG1-O 3.09Å; A207-L209 PolarHBondContact O-N 2.84Å
208	S	95.3	Very high	97.9	Very high	60 Å²	60	44.1 Å²	44.1	42%	0.42	23%	0.229	S	C	.	.	S	Bend	trans	63.7	19.6	170.8	-43.1	0	0	0	0	115.9	V184	V184-S208 VanDerWaalsContact O-CB 3.24Å; V184-S208 WeakPolarHBondContact O-CB 3.44Å; V184-S208 PolarHBondContact O-OG 3.39Å
209	L	97.3	Very high	97.9	Very high	1 Å²	1	47 Å²	47	1%	0.005	24%	0.24	C	C	.	.			trans	-96.3	-3	179.6	-62	177	0	0	0	114.1	V184 L196 I206 A207 A211 L212 L218 L231 N234	V184-L209 HydrophobicContact CG1-CD2 3.81Å; V184-L209 HydrophobicContact CG1-CG 4.37Å; L196-L209 HydrophobicContact CD2-CD2 3.71Å; I206-L209 HydrophobicContact CG2-CD1 3.63Å; A207-L209 PolarHBondContact O-N 2.84Å; L209-A211 PolarHBondContact O-N 2.88Å; L209-A211 VanDerWaalsContact O-N 3.1Å; L209-L212 HydrophobicContact CD2-CD1 3.65Å; L209-L212 WeakPolarHBondContact O-CB 3.15Å; L209-L212 PolarHBondContact O-N 2.76Å; L209-L218 HydrophobicContact CD1-CD1 4.44Å; L209-L218 HydrophobicContact CD1-CD2 3.84Å; L209-L231 HydrophobicContact CD1-CD2 3.56Å; L209-N234 PolarHBondContact O-ND2 2.82Å
210	N	96.2	Very high	97.9	Very high	80 Å²	80	44.5 Å²	44.5	43%	0.428	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.7	-174.3	-74.3	-43.4	0	0	0	115	N233	N210-N233 PolarHBondContact OD1-ND2 2.81Å
211	A	97.5	Very high	97.9	Very high	33 Å²	33	41 Å²	41	27%	0.273	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-20.1	179.9	0	0	0	0	0	113.1	D188 L209 K213	D188-A211 HydrophobicContact CB-CB 4.26Å; D188-A211 WeakPolarHBondContact O-CB 3.38Å; L209-A211 PolarHBondContact O-N 2.88Å; L209-A211 VanDerWaalsContact O-N 3.1Å; A211-K213 PolarHBondContact O-N 3.36Å
212	L	98	Very high	97.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.216	C	C	.	.			trans	-85.4	57.6	-171.3	-51.8	-173.4	0	0	0	111.8	L187 L190 L193 L196 L209 N214 L215 N234	L187-L212 HydrophobicContact CB-CD1 4.26Å; L187-L212 HydrophobicContact CB-CD2 4.45Å; L187-L212 HydrophobicContact CD1-CD1 4.24Å; L187-L212 WeakPolarHBondContact O-CD2 3.2Å; L190-L212 HydrophobicContact CB-CD2 4.23Å; L190-L212 WeakPolarHBondContact O-CD2 3.33Å; L193-L212 HydrophobicContact CB-CD2 4.34Å; L193-L212 HydrophobicContact CD2-CD1 4.02Å; L196-L212 HydrophobicContact CD2-CD1 4.3Å; L209-L212 HydrophobicContact CD2-CD1 3.65Å; L209-L212 WeakPolarHBondContact O-CB 3.15Å; L209-L212 PolarHBondContact O-N 2.76Å; L212-N214 PolarHBondContact O-N 3.34Å; L212-N214 VanDerWaalsContact O-N 3.15Å; L212-L215 HydrophobicContact CB-CB 4.38Å; L212-L215 WeakPolarHBondContact O-CB 3.39Å; L212-L215 PolarHBondContact O-N 2.98Å; L212-L215 VanDerWaalsContact O-N 3.17Å; L212-N234 PolarHBondContact O-ND2 2.83Å
213	K	97.9	Very high	97.9	Very high	127 Å²	127	35.5 Å²	35.5	55%	0.552	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15	-175.1	-62.3	-178.9	179.5	-178.7	0	114.2	A211	A211-K213 PolarHBondContact O-N 3.36Å
214	N	98.4	Very high	97.9	Very high	43 Å²	43	36.3 Å²	36.3	23%	0.23	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	5.4	178.9	-70.1	-46.5	0	0	0	113.4	T191 L193 L212 E216 K236	T191-N214 PolarHBondContact O-ND2 3.47Å; L193-N214 CarbonylContact O-C 3.45Å; L212-N214 PolarHBondContact O-N 3.34Å; L212-N214 VanDerWaalsContact O-N 3.15Å; N214-E216 PolarHBondContact O-N 3.39Å; N214-K236 PolarHBondContact OD1-NZ 2.61Å
215	L	98.5	Very high	97.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.178	C	C	.	.			trans	-65.4	123.1	-179.3	-158	71.3	0	0	0	110.6	L193 L196 L212 L218 K236 I237	L193-L215 HydrophobicContact CD2-CD1 4.26Å; L193-L215 HydrophobicContact CG-CD1 4.39Å; L193-L215 PolarHBondContact O-N 2.88Å; L196-L215 HydrophobicContact CB-CD1 3.78Å; L212-L215 HydrophobicContact CB-CB 4.38Å; L212-L215 WeakPolarHBondContact O-CB 3.39Å; L212-L215 PolarHBondContact O-N 2.98Å; L212-L215 VanDerWaalsContact O-N 3.17Å; L215-L218 HydrophobicContact CD2-CB 3.89Å; L215-L218 HydrophobicContact CD2-CD1 4.14Å; L215-L218 HydrophobicContact CD2-CD2 4.3Å; L215-L218 HydrophobicContact CD2-CG 4.33Å; L215-K236 CarbonylContact O-C 3.41Å; L215-I237 HydrophobicContact CB-CG1 4.36Å; L215-I237 HydrophobicContact CD2-CD1 4.24Å; L215-I237 HydrophobicContact CD2-CG1 4.46Å; L215-I237 HydrophobicContact CG-CG1 4.48Å; L215-I237 WeakPolarHBondContact O-CA 3.28Å; L215-I237 WeakPolarHBondContact O-CG1 3.45Å; L215-I237 PolarHBondContact O-N 3.3Å; L215-I237 VanDerWaalsContact O-N 3.09Å
216	E	98.7	Very high	97.9	Very high	56 Å²	56	33.9 Å²	33.9	26%	0.262	19%	0.186	S	C	.	.			trans	-107.3	-34.8	-179.2	-69.9	166.7	-167.6	0	0	110.7	R194 N214 I237 Q238 T239	R194-E216 HydrophobicContact CB-CB 4.5Å; R194-E216 HydrophobicContact CB-CG 4.5Å; R194-E216 IonicContact CZ-OE1 2.66Å; R194-E216 IonicContact NE-OE1 2.78Å; R194-E216 IonicContact NH1-OE1 3.72Å; R194-E216 WeakPolarHBondContact O-CA 3.25Å; R194-E216 PolarHBondContact O-N 2.9Å; N214-E216 PolarHBondContact O-N 3.39Å; E216-I237 CarbonylContact O-C 3.52Å; E216-I237 WeakPolarHBondContact O-CA 3.29Å; E216-Q238 PolarHBondContact O-N 2.99Å; E216-T239 PolarHBondContact O-N 2.92Å
217	G	98.7	Very high	97.9	Very high	4 Å²	4	37.2 Å²	37.2	4%	0.041	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.9	176	0	0	0	0	0	112.3	R194 V195 L196	R194-G217 PolarHBondContact O-N 2.57Å; V195-G217 WeakPolarHBondContact CA-O 3.41Å; L196-G217 PolarHBondContact N-O 3.02Å
218	L	98.8	Very high	98	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.8	175.5	178.5	58.5	0	0	0	110.1	L196 L209 L215 L220 L231 I237 T239 L240 D241	L196-L218 HydrophobicContact CB-CD1 4.19Å; L196-L218 HydrophobicContact CD2-CD1 4.07Å; L196-L218 HydrophobicContact CG-CD1 4.21Å; L209-L218 HydrophobicContact CD1-CD1 4.44Å; L209-L218 HydrophobicContact CD1-CD2 3.84Å; L215-L218 HydrophobicContact CD2-CB 3.89Å; L215-L218 HydrophobicContact CD2-CD1 4.14Å; L215-L218 HydrophobicContact CD2-CD2 4.3Å; L215-L218 HydrophobicContact CD2-CG 4.33Å; L218-L220 HydrophobicContact CD1-CD1 3.93Å; L218-L220 HydrophobicContact CD1-CG 3.97Å; L218-L220 HydrophobicContact CD2-CD1 3.83Å; L218-L220 HydrophobicContact CG-CD1 3.83Å; L218-L220 HydrophobicContact CG-CG 4.16Å; L218-L231 HydrophobicContact CD2-CD2 3.69Å; L218-I237 HydrophobicContact CB-CD1 4.17Å; L218-I237 HydrophobicContact CD2-CD1 4.22Å; L218-T239 PolarHBondContact N-O 3.33Å; L218-L240 HydrophobicContact CB-CD1 4.12Å; L218-L240 HydrophobicContact CD2-CD1 3.92Å; L218-L240 HydrophobicContact CG-CD1 4.12Å; L218-D241 PolarHBondContact O-N 2.86Å
219	Y	98.9	Very high	98	Very high	60 Å²	60	35.8 Å²	35.8	24%	0.235	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.9	-178.5	-51.5	-93.7	0	0	0	110.3	V195 L196 L198 Q199 T239 D241 W263	V195-Y219 HydrophobicContact CG1-CD2 4.35Å; V195-Y219 HydrophobicContact CG1-CE2 3.96Å; L196-Y219 PolarHBondContact O-N 3.11Å; L198-Y219 CarbonylContact C-O 3.35Å; L198-Y219 WeakPolarHBondContact CA-O 3.37Å; L198-Y219 PolarHBondContact N-O 3.4Å; Q199-Y219 PolarHBondContact N-O 2.93Å; Y219-T239 HydrophobicContact CE1-CG2 3.81Å; Y219-D241 HydrophobicContact CD1-CB 3.73Å; Y219-D241 HydrophobicContact CE1-CB 4.49Å; Y219-D241 HydrophobicContact CG-CB 4.44Å; Y219-W263 HydrophobicContact CD1-CZ3 4.45Å; Y219-W263 HydrophobicContact CE1-CH2 4.44Å; Y219-W263 HydrophobicContact CE1-CZ3 4.26Å
220	L	98.8	Very high	97.9	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.192	C	C	.	.			trans	-128.6	18.4	-175	-78.2	166.6	0	0	0	111.5	L198 I203 I206 L218 N223 I225 D241 L242 N245	L198-L220 HydrophobicContact CB-CD2 3.77Å; L198-L220 HydrophobicContact CD1-CD2 3.87Å; L198-L220 HydrophobicContact CG-CD2 4.5Å; I203-L220 HydrophobicContact CD1-CD2 4Å; I206-L220 HydrophobicContact CD1-CD1 4.02Å; I206-L220 HydrophobicContact CG1-CD1 4.04Å; L218-L220 HydrophobicContact CD1-CD1 3.93Å; L218-L220 HydrophobicContact CD1-CG 3.97Å; L218-L220 HydrophobicContact CD2-CD1 3.83Å; L218-L220 HydrophobicContact CG-CD1 3.83Å; L218-L220 HydrophobicContact CG-CG 4.16Å; L220-N223 WeakPolarHBondContact O-CB 3.24Å; L220-N223 PolarHBondContact O-ND2 2.81Å; L220-I225 HydrophobicContact CB-CD1 3.92Å; L220-I225 HydrophobicContact CD1-CD1 4.08Å; L220-I225 HydrophobicContact CD2-CD1 4.14Å; L220-I225 HydrophobicContact CG-CD1 4.29Å; L220-D241 WeakPolarHBondContact CA-O 3.46Å; L220-D241 PolarHBondContact N-O 3.05Å; L220-L242 HydrophobicContact CB-CD2 3.89Å; L220-L242 HydrophobicContact CD1-CD2 3.98Å; L220-N245 PolarHBondContact O-ND2 3.04Å
221	S	98.7	Very high	97.9	Very high	21 Å²	21	32.7 Å²	32.7	15%	0.147	17%	0.172	C	C	.	.			trans	-61.8	155	-180	42.8	0	0	0	0	113.3	Q199 D200 N223 D241 A243	Q199-S221 CarbonylContact C-O 3.09Å; Q199-S221 WeakPolarHBondContact CA-O 3.37Å; Q199-S221 WeakPolarHBondContact CB-OG 3.36Å; D200-S221 PolarHBondContact N-O 2.93Å; S221-N223 PolarHBondContact O-N 2.97Å; S221-N223 PolarHBondContact O-ND2 3.35Å; S221-N223 VanDerWaalsContact O-ND2 3.12Å; S221-D241 WeakPolarHBondContact CB-OD1 3.25Å; S221-D241 WeakPolarHBondContact CB-OD2 3.2Å; S221-D241 PolarHBondContact OG-OD2 3.42Å; S221-A243 CarbonylContact C-O 3.46Å; S221-A243 WeakPolarHBondContact CA-O 3.5Å; S221-A243 VanDerWaalsContact CB-O 3.31Å; S221-A243 WeakPolarHBondContact CB-O 3.48Å
222	G	98.7	Very high	97.8	Very high	14 Å²	14	35.9 Å²	35.9	14%	0.144	18%	0.181	C	C	.	.	S	Bend	trans	65.7	38.5	176.9	0	0	0	0	0	113.5	D200 A243 N244	D200-G222 WeakPolarHBondContact CA-O 3.44Å; G222-A243 PolarHBondContact N-O 2.99Å; G222-A243 VanDerWaalsContact N-O 3.09Å; G222-N244 VanDerWaalsContact CA-O 3.28Å; G222-N244 WeakPolarHBondContact CA-O 3.11Å; G222-N244 PolarHBondContact N-O 3.01Å; G222-N244 VanDerWaalsContact N-O 3.14Å
223	N	98.8	Very high	97.7	Very high	15 Å²	15	39.3 Å²	39.3	8%	0.08	20%	0.199	C	C	.	.	S	Bend	trans	-119.9	-172.5	177.9	-82.9	-79.3	0	0	0	111	L198 N201 R202 I203 L220 S221 I225 N244 N245	L198-N223 PolarHBondContact O-ND2 3.19Å; N201-N223 WeakPolarHBondContact CA-OD1 3.14Å; N201-N223 VanDerWaalsContact CB-OD1 3.26Å; N201-N223 WeakPolarHBondContact CB-OD1 3.39Å; N201-N223 PolarHBondContact O-OD1 3.22Å; R202-N223 PolarHBondContact N-OD1 3.13Å; I203-N223 HydrophobicContact CB-CB 4.37Å; I203-N223 VanDerWaalsContact CB-OD1 3.29Å; I203-N223 WeakPolarHBondContact CB-OD1 3.07Å; I203-N223 PolarHBondContact N-OD1 3.15Å; L220-N223 WeakPolarHBondContact O-CB 3.24Å; L220-N223 PolarHBondContact O-ND2 2.81Å; S221-N223 PolarHBondContact O-N 2.97Å; S221-N223 PolarHBondContact O-ND2 3.35Å; S221-N223 VanDerWaalsContact O-ND2 3.12Å; N223-I225 HydrophobicContact CB-CD1 4.2Å; N223-I225 HydrophobicContact CB-CG1 4.26Å; N223-N244 PolarHBondContact N-O 3.12Å; N223-N245 WeakPolarHBondContact CA-OD1 3.31Å; N223-N245 WeakPolarHBondContact CB-OD1 3.19Å; N223-N245 PolarHBondContact O-OD1 3.37Å
224	G	98.6	Very high	97.6	Very high	16 Å²	16	33.2 Å²	33.2	17%	0.165	17%	0.173	C	C	.	.			trans	-109.3	25.5	178.7	0	0	0	0	0	113.7	I203 N245	I203-G224 CarbonylContact O-C 3.57Å; I203-G224 WeakPolarHBondContact O-CA 3.42Å; I203-G224 PolarHBondContact O-N 3.17Å; G224-N245 PolarHBondContact N-OD1 2.82Å
225	I	98.7	Very high	97.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.			trans	-68.7	136.3	-175.4	-62.6	160.8	0	0	0	109.8	I203 I206 L220 N223 L227 L242 N245 K246 I247	I203-I225 HydrophobicContact CG2-CD1 4.4Å; I203-I225 HydrophobicContact CG2-CG1 4.23Å; I203-I225 PolarHBondContact O-N 2.68Å; I206-I225 HydrophobicContact CD1-CD1 4.36Å; I206-I225 HydrophobicContact CD1-CG2 4.17Å; I206-I225 HydrophobicContact CG1-CD1 3.88Å; I206-I225 HydrophobicContact CG1-CG1 4.34Å; I206-I225 HydrophobicContact CG1-CG2 3.97Å; L220-I225 HydrophobicContact CB-CD1 3.92Å; L220-I225 HydrophobicContact CD1-CD1 4.08Å; L220-I225 HydrophobicContact CD2-CD1 4.14Å; L220-I225 HydrophobicContact CG-CD1 4.29Å; N223-I225 HydrophobicContact CB-CD1 4.2Å; N223-I225 HydrophobicContact CB-CG1 4.26Å; I225-L227 VanDerWaalsContact CG2-O 3.28Å; I225-L227 WeakPolarHBondContact CG2-O 2.91Å; I225-L242 HydrophobicContact CD1-CD2 4.28Å; I225-N245 HydrophobicContact CB-CB 4.4Å; I225-N245 VanDerWaalsContact CB-OD1 3.27Å; I225-N245 WeakPolarHBondContact CB-OD1 2.94Å; I225-N245 PolarHBondContact N-OD1 3.09Å; I225-K246 CarbonylContact O-C 3.58Å; I225-K246 WeakPolarHBondContact O-CA 3.28Å; I225-K246 PolarHBondContact O-N 3.21Å; I225-I247 HydrophobicContact CG2-CD1 4.11Å; I225-I247 HydrophobicContact CG2-CG1 4.16Å; I225-I247 WeakPolarHBondContact O-CG1 3.42Å; I225-I247 PolarHBondContact O-N 2.74Å
226	K	98	Very high	97.5	Very high	144 Å²	144	37.7 Å²	37.7	63%	0.626	20%	0.196	S	C	*	.			trans	-112	-20.2	-178.7	-64.7	180	179.9	179.9	0	114.2	K246	K226-K246 HydrophobicContact CG-CB 4.14Å
227	L	97.2	Very high	97.5	Very high	73 Å²	73	35 Å²	35	38%	0.382	18%	0.184	S	C	.	.			trans	-142.4	140.2	-174.4	-178	64.7	0	0	0	109.5	I225 E229 V251	I225-L227 VanDerWaalsContact CG2-O 3.28Å; I225-L227 WeakPolarHBondContact CG2-O 2.91Å; L227-E229 HydrophobicContact CD2-CB 4.28Å; L227-E229 HydrophobicContact CG-CB 4.34Å; L227-V251 HydrophobicContact CD1-CG1 4.38Å
228	I	96.8	Very high	97.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.2	C	C	.	.			trans	-85.3	114.2	168.1	-49.8	176.1	0	0	0	107.6	L231 L242 I247 L250 V251 L253 F264	I228-L231 HydrophobicContact CG2-CD1 3.92Å; I228-L242 HydrophobicContact CD1-CD1 3.92Å; I228-L242 HydrophobicContact CG1-CD1 3.9Å; I228-I247 HydrophobicContact CD1-CG2 4.48Å; I228-I247 HydrophobicContact CG1-CD1 4.03Å; I228-I247 HydrophobicContact CG1-CG2 4.09Å; I228-L250 HydrophobicContact CD1-CD2 4.03Å; I228-V251 HydrophobicContact CB-CG2 3.78Å; I228-V251 HydrophobicContact CG2-CG2 3.82Å; I228-L253 HydrophobicContact CG2-CD2 4.06Å; I228-F264 HydrophobicContact CD1-CE2 3.84Å; I228-F264 HydrophobicContact CD1-CZ 4.44Å
229	E	95.6	Very high	97.5	Very high	59 Å²	59	40.1 Å²	40.1	28%	0.276	21%	0.208	S	C	.	.			trans	-153.2	159.4	-179.4	66.1	-173.8	126.9	0	0	110.6	K205 I206 L227 L231	K205-E229 WeakPolarHBondContact CE-OE1 3.26Å; K205-E229 WeakPolarHBondContact CE-OE2 3.49Å; K205-E229 WeakPolarHBondContact CG-OE1 3.2Å; K205-E229 IonicContact NZ-OE1 3.86Å; K205-E229 IonicContact NZ-OE2 3.24Å; K205-E229 PolarHBondContact NZ-OE2 3.26Å; K205-E229 VanDerWaalsContact NZ-OE2 3.09Å; I206-E229 WeakPolarHBondContact CB-O 3.45Å; I206-E229 VanDerWaalsContact CG2-O 3.25Å; I206-E229 WeakPolarHBondContact CG2-O 3.48Å; L227-E229 HydrophobicContact CD2-CB 4.28Å; L227-E229 HydrophobicContact CG-CB 4.34Å; E229-L231 VanDerWaalsContact C-N 3.33Å; E229-L231 PolarHBondContact O-N 3.09Å
230	G	94.8	Very high	97.5	Very high	16 Å²	16	37.2 Å²	37.2	17%	0.165	20%	0.197	C	C	.	.	S	Bend	trans	74	21.5	170.7	0	0	0	0	0	114.9	E232	G230-E232 VanDerWaalsContact C-OE2 3.24Å; G230-E232 WeakPolarHBondContact CA-OE2 3.3Å; G230-E232 PolarHBondContact N-OE1 3.41Å
231	L	96.4	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.			trans	-108.8	5.8	179.7	-62.8	178.4	0	0	0	113.3	I206 L209 L218 I228 E229 N233 N234 L240 Y255 M256	I206-L231 HydrophobicContact CD1-CD1 4.25Å; I206-L231 HydrophobicContact CG2-CD2 3.78Å; I206-L231 HydrophobicContact CG2-CG 4.08Å; L209-L231 HydrophobicContact CD1-CD2 3.56Å; L218-L231 HydrophobicContact CD2-CD2 3.69Å; I228-L231 HydrophobicContact CG2-CD1 3.92Å; E229-L231 VanDerWaalsContact C-N 3.33Å; E229-L231 PolarHBondContact O-N 3.09Å; L231-N233 PolarHBondContact O-N 2.96Å; L231-N234 WeakPolarHBondContact CA-OD1 3.36Å; L231-N234 PolarHBondContact O-N 2.92Å; L231-L240 HydrophobicContact CD1-CD1 4.45Å; L231-L240 HydrophobicContact CD1-CD2 4.4Å; L231-Y255 HydrophobicContact CB-CE2 4.2Å; L231-Y255 WeakPolarHBondContact O-CE2 3.34Å; L231-M256 HydrophobicContact CB-CE 3.59Å; L231-M256 HydrophobicContact CD1-CE 3.66Å; L231-M256 HydrophobicContact CG-CE 4.2Å
232	E	94.5	Very high	97.5	Very high	100 Å²	100	36.6 Å²	36.6	47%	0.467	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.9	-169.1	-54.6	79.1	-172	0	0	113.3	G230 Y255	G230-E232 VanDerWaalsContact C-OE2 3.24Å; G230-E232 WeakPolarHBondContact CA-OE2 3.3Å; G230-E232 PolarHBondContact N-OE1 3.41Å; E232-Y255 HydrophobicContact CG-CE1 4.49Å
233	N	96	Very high	97.5	Very high	71 Å²	71	36.2 Å²	36.2	38%	0.38	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	-6	-179.6	-69.9	-58.4	0	0	0	114	N210 L231 C235	N210-N233 PolarHBondContact OD1-ND2 2.81Å; L231-N233 PolarHBondContact O-N 2.96Å; N233-C235 VanDerWaalsContact C-N 3.3Å; N233-C235 PolarHBondContact O-N 3.43Å
234	N	97	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.			trans	-95.3	52.5	-174.4	-51.2	100.8	0	0	0	110.8	L209 L212 L231 K236 I237	L209-N234 PolarHBondContact O-ND2 2.82Å; L212-N234 PolarHBondContact O-ND2 2.83Å; L231-N234 WeakPolarHBondContact CA-OD1 3.36Å; L231-N234 PolarHBondContact O-N 2.92Å; N234-K236 PolarHBondContact O-N 3.17Å; N234-K236 VanDerWaalsContact O-N 3.13Å; N234-I237 HydrophobicContact CB-CD1 3.46Å; N234-I237 VanDerWaalsContact CB-CD1 3.46Å; N234-I237 HydrophobicContact CB-CG1 3.91Å; N234-I237 WeakPolarHBondContact O-CG1 3.25Å; N234-I237 PolarHBondContact O-N 3.47Å
235	C	96.8	Very high	97.5	Very high	51 Å²	51	39.4 Å²	39.4	35%	0.345	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.3	-171.1	-55.4	0	0	0	0	114.8	N233 Y255 V257	N233-C235 VanDerWaalsContact C-N 3.3Å; N233-C235 PolarHBondContact O-N 3.43Å; C235-Y255 WeakPolarHBondContact CA-O 3.43Å; C235-Y255 VanDerWaalsContact CB-O 3.3Å; C235-Y255 WeakPolarHBondContact CB-O 3.28Å; C235-Y255 PolarHBondContact SG-O 3.43Å; C235-V257 PolarHBondContact O-N 3.46Å
236	K	97.8	Very high	97.5	Very high	85 Å²	85	44.5 Å²	44.5	37%	0.37	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-0.6	-177.6	-64	-168.7	-174.8	175.1	0	114.1	N214 L215 N234 Q238	N214-K236 PolarHBondContact OD1-NZ 2.61Å; L215-K236 CarbonylContact O-C 3.41Å; N234-K236 PolarHBondContact O-N 3.17Å; N234-K236 VanDerWaalsContact O-N 3.13Å; K236-Q238 PolarHBondContact O-N 3.02Å; K236-Q238 VanDerWaalsContact O-N 3.12Å
237	I	98.3	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.193	C	C	.	.			trans	-60.7	119.8	178.5	-69.3	174.2	0	0	0	108.5	L215 E216 L218 N234 T239 L240 M256 D258 L259	L215-I237 HydrophobicContact CB-CG1 4.36Å; L215-I237 HydrophobicContact CD2-CD1 4.24Å; L215-I237 HydrophobicContact CD2-CG1 4.46Å; L215-I237 HydrophobicContact CG-CG1 4.48Å; L215-I237 WeakPolarHBondContact O-CA 3.28Å; L215-I237 WeakPolarHBondContact O-CG1 3.45Å; L215-I237 PolarHBondContact O-N 3.3Å; L215-I237 VanDerWaalsContact O-N 3.09Å; E216-I237 CarbonylContact O-C 3.52Å; E216-I237 WeakPolarHBondContact O-CA 3.29Å; L218-I237 HydrophobicContact CB-CD1 4.17Å; L218-I237 HydrophobicContact CD2-CD1 4.22Å; N234-I237 HydrophobicContact CB-CD1 3.46Å; N234-I237 VanDerWaalsContact CB-CD1 3.46Å; N234-I237 HydrophobicContact CB-CG1 3.91Å; N234-I237 WeakPolarHBondContact O-CG1 3.25Å; N234-I237 PolarHBondContact O-N 3.47Å; I237-T239 WeakPolarHBondContact CG2-O 3.32Å; I237-L240 HydrophobicContact CG2-CB 3.97Å; I237-M256 HydrophobicContact CD1-CE 4.17Å; I237-D258 CarbonylContact O-C 3.39Å; I237-L259 HydrophobicContact CG2-CD1 4.12Å; I237-L259 VanDerWaalsContact O-CA 3.27Å; I237-L259 WeakPolarHBondContact O-CA 3.26Å; I237-L259 PolarHBondContact O-N 3.07Å
238	Q	98.5	Very high	97.5	Very high	85 Å²	85	41.3 Å²	41.3	40%	0.397	20%	0.202	S	C	.	.	S	Bend	trans	-95	-36.7	173	-65.6	174	0.9	0	0	111	E216 K236 D258 E260 E261	E216-Q238 PolarHBondContact O-N 2.99Å; K236-Q238 PolarHBondContact O-N 3.02Å; K236-Q238 VanDerWaalsContact O-N 3.12Å; Q238-D258 WeakPolarHBondContact CA-O 3.35Å; Q238-D258 HydrophobicContact CG-CB 4.14Å; Q238-E260 PolarHBondContact O-N 2.76Å; Q238-E261 PolarHBondContact O-N 3.48Å
239	T	98.7	Very high	97.4	Very high	26 Å²	26	43.6 Å²	43.6	16%	0.16	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.6	178.4	-56.1	0	0	0	0	110.3	E216 L218 Y219 I237 E261 W263	E216-T239 PolarHBondContact O-N 2.92Å; L218-T239 PolarHBondContact N-O 3.33Å; Y219-T239 HydrophobicContact CE1-CG2 3.81Å; I237-T239 WeakPolarHBondContact CG2-O 3.32Å; T239-E261 WeakPolarHBondContact CA-O 3.39Å; T239-E261 HydrophobicContact CG2-CB 3.95Å; T239-W263 HydrophobicContact CG2-CZ2 4.48Å
240	L	98.6	Very high	97.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	110.5	172.7	178.6	60.6	0	0	0	109.4	L218 L231 I237 L242 L253 M256 L259 E261 F262 W263	L218-L240 HydrophobicContact CB-CD1 4.12Å; L218-L240 HydrophobicContact CD2-CD1 3.92Å; L218-L240 HydrophobicContact CG-CD1 4.12Å; L231-L240 HydrophobicContact CD1-CD1 4.45Å; L231-L240 HydrophobicContact CD1-CD2 4.4Å; I237-L240 HydrophobicContact CG2-CB 3.97Å; L240-L242 HydrophobicContact CD1-CD1 4.27Å; L240-L242 HydrophobicContact CD1-CG 4.05Å; L240-L242 HydrophobicContact CD2-CD1 3.98Å; L240-L242 HydrophobicContact CG-CD1 4.09Å; L240-L242 HydrophobicContact CG-CG 4.11Å; L240-L253 HydrophobicContact CD2-CD1 4.31Å; L240-M256 HydrophobicContact CD2-CE 4.07Å; L240-M256 HydrophobicContact CD2-SD 4.08Å; L240-L259 HydrophobicContact CB-CD1 3.82Å; L240-E261 PolarHBondContact N-O 2.83Å; L240-F262 HydrophobicContact CB-CD2 4.09Å; L240-F262 HydrophobicContact CD2-CD2 4.02Å; L240-F262 HydrophobicContact CD2-CE2 3.74Å; L240-F262 HydrophobicContact CG-CD2 4.09Å; L240-F262 HydrophobicContact CG-CE2 4.08Å; L240-W263 PolarHBondContact O-N 3.39Å
241	D	98.8	Very high	97.3	Very high	9 Å²	9	42.8 Å²	42.8	5%	0.048	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	112.6	175.1	172.9	23.9	0	0	0	110.7	L218 Y219 L220 S221 A243 W263	L218-D241 PolarHBondContact O-N 2.86Å; Y219-D241 HydrophobicContact CD1-CB 3.73Å; Y219-D241 HydrophobicContact CE1-CB 4.49Å; Y219-D241 HydrophobicContact CG-CB 4.44Å; L220-D241 WeakPolarHBondContact CA-O 3.46Å; L220-D241 PolarHBondContact N-O 3.05Å; S221-D241 WeakPolarHBondContact CB-OD1 3.25Å; S221-D241 WeakPolarHBondContact CB-OD2 3.2Å; S221-D241 PolarHBondContact OG-OD2 3.42Å; D241-A243 VanDerWaalsContact OD1-CB 3.28Å; D241-A243 WeakPolarHBondContact OD1-CB 3.5Å; D241-A243 PolarHBondContact OD1-N 3.43Å; D241-W263 HydrophobicContact CB-CB 4.18Å; D241-W263 HydrophobicContact CB-CD2 4.25Å; D241-W263 HydrophobicContact CB-CE3 3.7Å; D241-W263 HydrophobicContact CB-CG 4.5Å; D241-W263 HydrophobicContact CB-CZ3 4.42Å
242	L	98.7	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.23	C	C	.	.			trans	-121.9	17.7	175.3	-70.2	172.3	0	0	0	111.3	I206 L220 I225 I228 L240 N245 I247 F262 W263 F264 N267	I206-L242 HydrophobicContact CD1-CD2 3.91Å; L220-L242 HydrophobicContact CB-CD2 3.89Å; L220-L242 HydrophobicContact CD1-CD2 3.98Å; I225-L242 HydrophobicContact CD1-CD2 4.28Å; I228-L242 HydrophobicContact CD1-CD1 3.92Å; I228-L242 HydrophobicContact CG1-CD1 3.9Å; L240-L242 HydrophobicContact CD1-CD1 4.27Å; L240-L242 HydrophobicContact CD1-CG 4.05Å; L240-L242 HydrophobicContact CD2-CD1 3.98Å; L240-L242 HydrophobicContact CG-CD1 4.09Å; L240-L242 HydrophobicContact CG-CG 4.11Å; L242-N245 PolarHBondContact O-ND2 2.84Å; L242-I247 HydrophobicContact CB-CD1 4.07Å; L242-I247 HydrophobicContact CD1-CD1 4.03Å; L242-I247 HydrophobicContact CD2-CD1 4.31Å; L242-I247 HydrophobicContact CG-CD1 4.39Å; L242-F262 HydrophobicContact CD1-CE2 4.19Å; L242-W263 CarbonylContact C-O 3.18Å; L242-W263 PolarHBondContact N-O 3.36Å; L242-F264 HydrophobicContact CB-CD2 4.04Å; L242-F264 HydrophobicContact CB-CE2 4.29Å; L242-F264 HydrophobicContact CD1-CD2 4.46Å; L242-F264 HydrophobicContact CD1-CE2 4.26Å; L242-N267 PolarHBondContact O-ND2 3.14Å
243	A	98.7	Very high	96.9	Very high	7 Å²	7	41.2 Å²	41.2	6%	0.058	21%	0.208	C	C	.	.			trans	-58.7	155.4	-178.7	0	0	0	0	0	112.3	S221 G222 D241 N245 W263 N265	S221-A243 CarbonylContact C-O 3.46Å; S221-A243 WeakPolarHBondContact CA-O 3.5Å; S221-A243 VanDerWaalsContact CB-O 3.31Å; S221-A243 WeakPolarHBondContact CB-O 3.48Å; G222-A243 PolarHBondContact N-O 2.99Å; G222-A243 VanDerWaalsContact N-O 3.09Å; D241-A243 VanDerWaalsContact OD1-CB 3.28Å; D241-A243 WeakPolarHBondContact OD1-CB 3.5Å; D241-A243 PolarHBondContact OD1-N 3.43Å; A243-N245 PolarHBondContact O-N 2.96Å; A243-N245 PolarHBondContact O-ND2 2.82Å; A243-N245 VanDerWaalsContact O-ND2 3.11Å; A243-W263 PolarHBondContact N-O 3.49Å; A243-N265 CarbonylContact C-O 3.32Å; A243-N265 WeakPolarHBondContact CA-O 3.39Å; A243-N265 WeakPolarHBondContact CB-OD1 3.32Å
244	N	98.7	Very high	96.6	Very high	89 Å²	89	39.9 Å²	39.9	48%	0.476	20%	0.204	S	C	.	.	S	Bend	trans	52.4	57.5	176.9	-169.7	21.9	0	0	0	112.6	G222 N223 N265 D266	G222-N244 VanDerWaalsContact CA-O 3.28Å; G222-N244 WeakPolarHBondContact CA-O 3.11Å; G222-N244 PolarHBondContact N-O 3.01Å; G222-N244 VanDerWaalsContact N-O 3.14Å; N223-N244 PolarHBondContact N-O 3.12Å; N244-N265 PolarHBondContact N-O 2.99Å; N244-D266 WeakPolarHBondContact CA-O 3.31Å; N244-D266 HydrophobicContact CB-CB 4.03Å; N244-D266 PolarHBondContact N-O 2.82Å
245	N	98.8	Very high	96.4	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.043	21%	0.214	C	C	.	.	S	Bend	trans	-130.4	-165.9	175.1	-86	-80.2	0	0	0	109.4	L220 N223 G224 I225 L242 A243 I247 D266 N267	L220-N245 PolarHBondContact O-ND2 3.04Å; N223-N245 WeakPolarHBondContact CA-OD1 3.31Å; N223-N245 WeakPolarHBondContact CB-OD1 3.19Å; N223-N245 PolarHBondContact O-OD1 3.37Å; G224-N245 PolarHBondContact N-OD1 2.82Å; I225-N245 HydrophobicContact CB-CB 4.4Å; I225-N245 VanDerWaalsContact CB-OD1 3.27Å; I225-N245 WeakPolarHBondContact CB-OD1 2.94Å; I225-N245 PolarHBondContact N-OD1 3.09Å; L242-N245 PolarHBondContact O-ND2 2.84Å; A243-N245 PolarHBondContact O-N 2.96Å; A243-N245 PolarHBondContact O-ND2 2.82Å; A243-N245 VanDerWaalsContact O-ND2 3.11Å; N245-I247 HydrophobicContact CB-CD1 4.23Å; N245-I247 HydrophobicContact CB-CG1 4.12Å; N245-D266 PolarHBondContact N-O 3.41Å; N245-N267 WeakPolarHBondContact CA-OD1 3.05Å; N245-N267 WeakPolarHBondContact CB-OD1 3.35Å; N245-N267 PolarHBondContact O-OD1 3.44Å
246	K	98.4	Very high	96.3	Very high	107 Å²	107	40 Å²	40	47%	0.465	20%	0.198	S	C	.	.			trans	-119.9	33.4	-177.2	-57.4	-173.7	-178.4	-175.4	0	111.8	I225 K226 N267	I225-K246 CarbonylContact O-C 3.58Å; I225-K246 WeakPolarHBondContact O-CA 3.28Å; I225-K246 PolarHBondContact O-N 3.21Å; K226-K246 HydrophobicContact CG-CB 4.14Å; K246-N267 PolarHBondContact N-OD1 3.42Å
247	I	98.3	Very high	96.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.			trans	-84.9	127.6	-173.8	-51.7	169.6	0	0	0	109.1	I225 I228 L242 N245 S249 F264 N267 E268 L269	I225-I247 HydrophobicContact CG2-CD1 4.11Å; I225-I247 HydrophobicContact CG2-CG1 4.16Å; I225-I247 WeakPolarHBondContact O-CG1 3.42Å; I225-I247 PolarHBondContact O-N 2.74Å; I228-I247 HydrophobicContact CD1-CG2 4.48Å; I228-I247 HydrophobicContact CG1-CD1 4.03Å; I228-I247 HydrophobicContact CG1-CG2 4.09Å; L242-I247 HydrophobicContact CB-CD1 4.07Å; L242-I247 HydrophobicContact CD1-CD1 4.03Å; L242-I247 HydrophobicContact CD2-CD1 4.31Å; L242-I247 HydrophobicContact CG-CD1 4.39Å; N245-I247 HydrophobicContact CB-CD1 4.23Å; N245-I247 HydrophobicContact CB-CG1 4.12Å; I247-S249 WeakPolarHBondContact CG2-O 3.45Å; I247-F264 HydrophobicContact CB-CE1 4.43Å; I247-F264 HydrophobicContact CB-CE2 4.24Å; I247-F264 HydrophobicContact CB-CZ 3.62Å; I247-F264 HydrophobicContact CD1-CE2 3.81Å; I247-F264 HydrophobicContact CD1-CZ 4.11Å; I247-F264 HydrophobicContact CG1-CZ 4.47Å; I247-F264 HydrophobicContact CG2-CE2 4.18Å; I247-F264 HydrophobicContact CG2-CZ 3.55Å; I247-N267 WeakPolarHBondContact CB-OD1 3.45Å; I247-N267 WeakPolarHBondContact CG1-OD1 3.29Å; I247-N267 PolarHBondContact N-OD1 3.13Å; I247-E268 CarbonylContact O-C 3.2Å; I247-E268 VanDerWaalsContact O-C 3.32Å; I247-E268 WeakPolarHBondContact O-CA 3.37Å; I247-E268 PolarHBondContact O-N 3.1Å; I247-L269 PolarHBondContact O-N 2.96Å
248	R	96.9	Very high	96	Very high	151 Å²	151	42.4 Å²	42.4	57%	0.57	22%	0.218	S	C	*	.			trans	-101.9	-21.3	-174.3	-69	178	-178.8	-150.3	-10.7	115.1	E268	R248-E268 WeakPolarHBondContact CA-O 3.43Å; R248-E268 HydrophobicContact CG-CB 3.62Å; R248-E268 IonicContact CZ-OE2 2.72Å; R248-E268 IonicContact NE-OE2 2.64Å; R248-E268 PolarHBondContact NE-OE2 3.04Å; R248-E268 IonicContact NH2-OE2 3.48Å; R248-E268 PolarHBondContact NH2-OE2 3.12Å
249	S	95.5	Very high	95.9	Very high	51 Å²	51	38.4 Å²	38.4	36%	0.357	20%	0.199	S	C	.	.	S	Bend	trans	-144.9	151	-175.9	60.9	0	0	0	0	110.6	I247 D274	I247-S249 WeakPolarHBondContact CG2-O 3.45Å; S249-D274 VanDerWaalsContact CA-OD2 3.3Å; S249-D274 WeakPolarHBondContact CA-OD2 3.25Å; S249-D274 VanDerWaalsContact CB-OD2 3.26Å; S249-D274 WeakPolarHBondContact CB-OD2 3.08Å
250	L	95	Very high	95.9	Very high	16 Å²	16	40.2 Å²	40.2	8%	0.084	21%	0.205	C	C	.	.			trans	-89.1	159.4	172.3	-59.9	172.3	0	0	0	110.6	I228 F262 F264 L269 D274 L275 L278	I228-L250 HydrophobicContact CD1-CD2 4.03Å; L250-F262 HydrophobicContact CD2-CE1 3.92Å; L250-F262 HydrophobicContact CD2-CZ 3.9Å; L250-F264 HydrophobicContact CD2-CD1 4.49Å; L250-F264 HydrophobicContact CD2-CD2 4.23Å; L250-F264 HydrophobicContact CD2-CE1 4.06Å; L250-F264 HydrophobicContact CD2-CE2 3.73Å; L250-F264 HydrophobicContact CD2-CZ 3.61Å; L250-L269 HydrophobicContact CD1-CD2 4.15Å; L250-L269 HydrophobicContact CG-CD1 4.15Å; L250-L269 HydrophobicContact CG-CD2 4.29Å; L250-D274 HydrophobicContact CB-CB 4.12Å; L250-D274 HydrophobicContact CD1-CB 4.41Å; L250-D274 HydrophobicContact CG-CB 4.39Å; L250-D274 PolarHBondContact N-OD2 2.83Å; L250-L275 HydrophobicContact CD1-CD2 3.67Å; L250-L278 HydrophobicContact CD1-CD1 3.81Å; L250-L278 HydrophobicContact CD1-CG 4.18Å
251	V	92.6	Very high	95.9	Very high	43 Å²	43	42.5 Å²	42.5	26%	0.261	22%	0.216	S	C	.	.			trans	-118	167.7	172.5	-59	0	0	0	0	109.3	L227 I228 L253 C277	L227-V251 HydrophobicContact CD1-CG1 4.38Å; I228-V251 HydrophobicContact CB-CG2 3.78Å; I228-V251 HydrophobicContact CG2-CG2 3.82Å; V251-L253 HydrophobicContact CG2-CD2 3.77Å; V251-L253 HydrophobicContact CG2-CG 4.5Å; V251-L253 PolarHBondContact O-N 2.96Å; V251-L253 VanDerWaalsContact O-N 3.13Å; V251-C277 PolarHBondContact O-SG 2.64Å
252	D	90.2	Very high	95.9	Very high	66 Å²	66	42 Å²	42	35%	0.353	21%	0.214	S	C	.	.			trans	-64.9	114.5	173.9	-164.5	-19.8	0	0	0	110.3	S254 Y255 K280	D252-S254 VanDerWaalsContact CG-OG 3.3Å; D252-S254 WeakPolarHBondContact OD1-CB 3.36Å; D252-S254 PolarHBondContact OD1-N 3.09Å; D252-S254 PolarHBondContact OD1-OG 3.49Å; D252-S254 PolarHBondContact OD2-OG 3.37Å; D252-Y255 WeakPolarHBondContact O-CE1 3.27Å; D252-K280 IonicContact OD1-NZ 3.91Å; D252-K280 IonicContact OD2-NZ 3.55Å; D252-K280 PolarHBondContact OD2-NZ 2.79Å
253	L	92.3	Very high	95.9	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.			trans	-103.9	14	177	-60.3	-175.2	0	0	0	112.5	I228 L240 V251 Y255 M256 F262 L278	I228-L253 HydrophobicContact CG2-CD2 4.06Å; L240-L253 HydrophobicContact CD2-CD1 4.31Å; V251-L253 HydrophobicContact CG2-CD2 3.77Å; V251-L253 HydrophobicContact CG2-CG 4.5Å; V251-L253 PolarHBondContact O-N 2.96Å; V251-L253 VanDerWaalsContact O-N 3.13Å; L253-Y255 WeakPolarHBondContact CD2-OH 3.39Å; L253-Y255 PolarHBondContact O-N 3.33Å; L253-M256 HydrophobicContact CB-SD 4.44Å; L253-M256 HydrophobicContact CD2-CE 4.19Å; L253-M256 HydrophobicContact CD2-SD 4.42Å; L253-M256 WeakPolarHBondContact O-CB 3.34Å; L253-M256 PolarHBondContact O-N 2.92Å; L253-F262 HydrophobicContact CD1-CE2 4.35Å; L253-F262 HydrophobicContact CD1-CZ 4.27Å; L253-L278 HydrophobicContact CB-CD2 4.27Å; L253-L278 HydrophobicContact CD1-CD2 3.8Å; L253-L278 HydrophobicContact CG-CD2 4.24Å
254	S	90.4	Very high	95.9	Very high	44 Å²	44	45.7 Å²	45.7	31%	0.308	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-14	-175.9	54.3	0	0	0	0	115.5	D252 M256	D252-S254 VanDerWaalsContact CG-OG 3.3Å; D252-S254 WeakPolarHBondContact OD1-CB 3.36Å; D252-S254 PolarHBondContact OD1-N 3.09Å; D252-S254 PolarHBondContact OD1-OG 3.49Å; D252-S254 PolarHBondContact OD2-OG 3.37Å; S254-M256 VanDerWaalsContact C-N 3.3Å
255	Y	92.9	Very high	95.8	Very high	52 Å²	52	42.5 Å²	42.5	20%	0.204	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-16.8	171.6	53.8	-100.9	0	0	0	113.3	L231 E232 C235 D252 L253 V257	L231-Y255 HydrophobicContact CB-CE2 4.2Å; L231-Y255 WeakPolarHBondContact O-CE2 3.34Å; E232-Y255 HydrophobicContact CG-CE1 4.49Å; C235-Y255 WeakPolarHBondContact CA-O 3.43Å; C235-Y255 VanDerWaalsContact CB-O 3.3Å; C235-Y255 WeakPolarHBondContact CB-O 3.28Å; C235-Y255 PolarHBondContact SG-O 3.43Å; D252-Y255 WeakPolarHBondContact O-CE1 3.27Å; L253-Y255 WeakPolarHBondContact CD2-OH 3.39Å; L253-Y255 PolarHBondContact O-N 3.33Å; Y255-V257 VanDerWaalsContact C-N 3.31Å; Y255-V257 PolarHBondContact O-N 3.04Å; Y255-V257 VanDerWaalsContact O-N 3.14Å
256	M	95.1	Very high	95.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.			trans	-85.4	72.6	173.9	-58.1	-176.6	176.2	0	0	109.9	L231 I237 L240 L253 S254 D258 L259	L231-M256 HydrophobicContact CB-CE 3.59Å; L231-M256 HydrophobicContact CD1-CE 3.66Å; L231-M256 HydrophobicContact CG-CE 4.2Å; I237-M256 HydrophobicContact CD1-CE 4.17Å; L240-M256 HydrophobicContact CD2-CE 4.07Å; L240-M256 HydrophobicContact CD2-SD 4.08Å; L253-M256 HydrophobicContact CB-SD 4.44Å; L253-M256 HydrophobicContact CD2-CE 4.19Å; L253-M256 HydrophobicContact CD2-SD 4.42Å; L253-M256 WeakPolarHBondContact O-CB 3.34Å; L253-M256 PolarHBondContact O-N 2.92Å; S254-M256 VanDerWaalsContact C-N 3.3Å; M256-D258 PolarHBondContact O-N 3.11Å; M256-L259 HydrophobicContact CB-CB 3.94Å; M256-L259 WeakPolarHBondContact O-CB 3.5Å; M256-L259 PolarHBondContact O-N 3.2Å; M256-L259 HydrophobicContact SD-CD1 4.44Å; M256-L259 HydrophobicContact SD-CD2 4.42Å
257	V	92.7	Very high	95.8	Very high	79 Å²	79	39.8 Å²	39.8	48%	0.479	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-21.9	-172.4	-64	0	0	0	0	113.7	C235 Y255 H283	C235-V257 PolarHBondContact O-N 3.46Å; Y255-V257 VanDerWaalsContact C-N 3.31Å; Y255-V257 PolarHBondContact O-N 3.04Å; Y255-V257 VanDerWaalsContact O-N 3.14Å; V257-H283 PolarHBondContact O-ND1 2.97Å
258	D	95.8	Very high	95.8	Very high	58 Å²	58	42.4 Å²	42.4	31%	0.31	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	4	-178.2	-62.1	-33.4	0	0	0	113.1	I237 Q238 M256 E260	I237-D258 CarbonylContact O-C 3.39Å; Q238-D258 WeakPolarHBondContact CA-O 3.35Å; Q238-D258 HydrophobicContact CG-CB 4.14Å; M256-D258 PolarHBondContact O-N 3.11Å; D258-E260 WeakPolarHBondContact O-CG 3.44Å; D258-E260 PolarHBondContact O-N 3.21Å
259	L	98.1	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.			trans	-62.6	117.4	-176.6	-172.7	70.4	0	0	0	111.1	I237 L240 M256 F262 H283 L284	I237-L259 HydrophobicContact CG2-CD1 4.12Å; I237-L259 VanDerWaalsContact O-CA 3.27Å; I237-L259 WeakPolarHBondContact O-CA 3.26Å; I237-L259 PolarHBondContact O-N 3.07Å; L240-L259 HydrophobicContact CB-CD1 3.82Å; M256-L259 HydrophobicContact CB-CB 3.94Å; M256-L259 WeakPolarHBondContact O-CB 3.5Å; M256-L259 PolarHBondContact O-N 3.2Å; M256-L259 HydrophobicContact SD-CD1 4.44Å; M256-L259 HydrophobicContact SD-CD2 4.42Å; L259-F262 HydrophobicContact CD2-CB 4.42Å; L259-H283 CarbonylContact O-C 3.57Å; L259-L284 HydrophobicContact CD2-CD1 4.13Å; L259-L284 HydrophobicContact CG-CD1 4.07Å; L259-L284 VanDerWaalsContact O-CA 3.25Å; L259-L284 WeakPolarHBondContact O-CA 3.21Å; L259-L284 PolarHBondContact O-N 3.16Å
260	E	98.1	Very high	95.7	Very high	64 Å²	64	39.3 Å²	39.3	30%	0.299	20%	0.198	S	C	.	.			trans	-109.9	-37.3	179.7	-54.4	-155.3	151.3	0	0	112.5	Q238 D258 K285 T286	Q238-E260 PolarHBondContact O-N 2.76Å; D258-E260 WeakPolarHBondContact O-CG 3.44Å; D258-E260 PolarHBondContact O-N 3.21Å; E260-K285 PolarHBondContact O-N 3.03Å; E260-K285 IonicContact OE1-NZ 3.99Å; E260-K285 PolarHBondContact OE1-NZ 3.02Å; E260-K285 IonicContact OE2-NZ 2.74Å; E260-K285 PolarHBondContact OE2-NZ 2.89Å; E260-T286 PolarHBondContact O-N 3.34Å; E260-T286 VanDerWaalsContact O-N 3.09Å
261	E	98.5	Very high	95.6	Very high	48 Å²	48	42.8 Å²	42.8	22%	0.224	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	119.5	-172.4	-68.3	-72	145.2	0	0	109.8	Q238 T239 L240 W263 T286	Q238-E261 PolarHBondContact O-N 3.48Å; T239-E261 WeakPolarHBondContact CA-O 3.39Å; T239-E261 HydrophobicContact CG2-CB 3.95Å; L240-E261 PolarHBondContact N-O 2.83Å; E261-W263 PolarHBondContact OE2-NE1 2.9Å; E261-W263 VanDerWaalsContact OE2-NE1 3.11Å; E261-T286 WeakPolarHBondContact OE1-CB 3.22Å; E261-T286 PolarHBondContact OE1-OG1 3.43Å; E261-T286 WeakPolarHBondContact OE2-CB 3.39Å; E261-T286 VanDerWaalsContact OE2-CG2 3.25Å; E261-T286 WeakPolarHBondContact OE2-CG2 3.35Å
262	F	98.3	Very high	95.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	104.1	178.3	-176.5	-132.9	0	0	0	111.8	L240 L242 L250 L253 L259 F264 L278 L284 T286 V287 Y288 F289	L240-F262 HydrophobicContact CB-CD2 4.09Å; L240-F262 HydrophobicContact CD2-CD2 4.02Å; L240-F262 HydrophobicContact CD2-CE2 3.74Å; L240-F262 HydrophobicContact CG-CD2 4.09Å; L240-F262 HydrophobicContact CG-CE2 4.08Å; L242-F262 HydrophobicContact CD1-CE2 4.19Å; L250-F262 HydrophobicContact CD2-CE1 3.92Å; L250-F262 HydrophobicContact CD2-CZ 3.9Å; L253-F262 HydrophobicContact CD1-CE2 4.35Å; L253-F262 HydrophobicContact CD1-CZ 4.27Å; L259-F262 HydrophobicContact CD2-CB 4.42Å; F262-F264 HydrophobicContact CD1-CB 4.42Å; F262-F264 HydrophobicContact CE1-CB 4.02Å; F262-F264 AromaticContact CE1-CD2 3.83Å; F262-F264 HydrophobicContact CE1-CD2 3.83Å; F262-F264 HydrophobicContact CE1-CG 4.06Å; F262-F264 AromaticContact CE2-CD2 3.76Å; F262-F264 HydrophobicContact CE2-CD2 3.76Å; F262-F264 HydrophobicContact CE2-CE2 4.46Å; F262-F264 HydrophobicContact CZ-CB 4.12Å; F262-F264 AromaticContact CZ-CD2 3.19Å; F262-F264 HydrophobicContact CZ-CD2 3.19Å; F262-F264 AromaticContact CZ-CE2 3.77Å; F262-F264 HydrophobicContact CZ-CE2 3.77Å; F262-F264 AromaticContact CZ-CG 3.89Å; F262-F264 HydrophobicContact CZ-CG 3.89Å; F262-L278 HydrophobicContact CD1-CD1 3.84Å; F262-L278 HydrophobicContact CE1-CD1 3.82Å; F262-L278 HydrophobicContact CE1-CD2 4.33Å; F262-L284 HydrophobicContact CB-CD1 3.81Å; F262-T286 PolarHBondContact N-O 2.94Å; F262-V287 HydrophobicContact CB-CG1 4.37Å; F262-V287 VanDerWaalsContact O-CA 3.29Å; F262-V287 WeakPolarHBondContact O-CA 3.28Å; F262-Y288 PolarHBondContact O-N 2.81Å; F262-F289 HydrophobicContact CD1-CE1 4.15Å; F262-F289 HydrophobicContact CD1-CZ 4.11Å; F262-F289 AromaticContact CE1-CE1 3.9Å; F262-F289 HydrophobicContact CE1-CE1 3.9Å; F262-F289 HydrophobicContact CE1-CZ 4.19Å
263	W	98.6	Very high	95.6	Very high	83 Å²	83	40.9 Å²	40.9	31%	0.314	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	115.6	-177.2	-51.8	-9.6	0	0	0	109.2	Y219 T239 L240 D241 L242 A243 E261 Y288	Y219-W263 HydrophobicContact CD1-CZ3 4.45Å; Y219-W263 HydrophobicContact CE1-CH2 4.44Å; Y219-W263 HydrophobicContact CE1-CZ3 4.26Å; T239-W263 HydrophobicContact CG2-CZ2 4.48Å; L240-W263 PolarHBondContact O-N 3.39Å; D241-W263 HydrophobicContact CB-CB 4.18Å; D241-W263 HydrophobicContact CB-CD2 4.25Å; D241-W263 HydrophobicContact CB-CE3 3.7Å; D241-W263 HydrophobicContact CB-CG 4.5Å; D241-W263 HydrophobicContact CB-CZ3 4.42Å; L242-W263 CarbonylContact C-O 3.18Å; L242-W263 PolarHBondContact N-O 3.36Å; A243-W263 PolarHBondContact N-O 3.49Å; E261-W263 PolarHBondContact OE2-NE1 2.9Å; E261-W263 VanDerWaalsContact OE2-NE1 3.11Å; W263-Y288 AromaticContact CD1-CD2 3.4Å; W263-Y288 VanDerWaalsContact CD1-CD2 3.4Å; W263-Y288 AromaticContact CD1-CE2 3.77Å; W263-Y288 HydrophobicContact CG-CD2 4Å; W263-Y288 HydrophobicContact CG-CE2 4.49Å; W263-Y288 AromaticContact NE1-CD2 3.9Å; W263-Y288 AromaticContact NE1-CE2 3.75Å
264	F	98.4	Very high	95.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.			trans	-137.9	11.8	-170.8	-155.2	-93.4	0	0	0	112	I228 L242 I247 L250 F262 N267 L269 Y288 F289 N292	I228-F264 HydrophobicContact CD1-CE2 3.84Å; I228-F264 HydrophobicContact CD1-CZ 4.44Å; L242-F264 HydrophobicContact CB-CD2 4.04Å; L242-F264 HydrophobicContact CB-CE2 4.29Å; L242-F264 HydrophobicContact CD1-CD2 4.46Å; L242-F264 HydrophobicContact CD1-CE2 4.26Å; I247-F264 HydrophobicContact CB-CE1 4.43Å; I247-F264 HydrophobicContact CB-CE2 4.24Å; I247-F264 HydrophobicContact CB-CZ 3.62Å; I247-F264 HydrophobicContact CD1-CE2 3.81Å; I247-F264 HydrophobicContact CD1-CZ 4.11Å; I247-F264 HydrophobicContact CG1-CZ 4.47Å; I247-F264 HydrophobicContact CG2-CE2 4.18Å; I247-F264 HydrophobicContact CG2-CZ 3.55Å; L250-F264 HydrophobicContact CD2-CD1 4.49Å; L250-F264 HydrophobicContact CD2-CD2 4.23Å; L250-F264 HydrophobicContact CD2-CE1 4.06Å; L250-F264 HydrophobicContact CD2-CE2 3.73Å; L250-F264 HydrophobicContact CD2-CZ 3.61Å; F262-F264 HydrophobicContact CD1-CB 4.42Å; F262-F264 HydrophobicContact CE1-CB 4.02Å; F262-F264 AromaticContact CE1-CD2 3.83Å; F262-F264 HydrophobicContact CE1-CD2 3.83Å; F262-F264 HydrophobicContact CE1-CG 4.06Å; F262-F264 AromaticContact CE2-CD2 3.76Å; F262-F264 HydrophobicContact CE2-CD2 3.76Å; F262-F264 HydrophobicContact CE2-CE2 4.46Å; F262-F264 HydrophobicContact CZ-CB 4.12Å; F262-F264 AromaticContact CZ-CD2 3.19Å; F262-F264 HydrophobicContact CZ-CD2 3.19Å; F262-F264 AromaticContact CZ-CE2 3.77Å; F262-F264 HydrophobicContact CZ-CE2 3.77Å; F262-F264 AromaticContact CZ-CG 3.89Å; F262-F264 HydrophobicContact CZ-CG 3.89Å; F264-N267 HydrophobicContact CD1-CB 3.91Å; F264-N267 HydrophobicContact CE1-CB 3.65Å; F264-N267 HydrophobicContact CZ-CB 4.34Å; F264-N267 PolarHBondContact O-ND2 3.41Å; F264-L269 HydrophobicContact CD1-CD2 4.43Å; F264-L269 HydrophobicContact CE1-CB 4.06Å; F264-L269 HydrophobicContact CE1-CD2 4.32Å; F264-Y288 CarbonylContact C-O 3.5Å; F264-Y288 WeakPolarHBondContact CA-O 3.21Å; F264-Y288 WeakPolarHBondContact CB-O 3.06Å; F264-Y288 PolarHBondContact N-O 3.19Å; F264-F289 HydrophobicContact CB-CD1 3.76Å; F264-F289 HydrophobicContact CB-CE1 3.8Å; F264-F289 AromaticContact CD1-CD1 3.98Å; F264-F289 HydrophobicContact CD1-CD1 3.98Å; F264-F289 HydrophobicContact CD1-CE1 4.16Å; F264-F289 HydrophobicContact CG-CD1 4.2Å; F264-F289 HydrophobicContact CG-CE1 4.13Å; F264-N292 PolarHBondContact O-ND2 2.85Å
265	N	98.2	Very high	95.8	Very high	23 Å²	23	40.6 Å²	40.6	12%	0.123	21%	0.207	C	C	.	.			trans	-59.4	159.3	176.7	53.7	-77.1	0	0	0	111.2	A243 N244 N267 Y288 E290 R291	A243-N265 CarbonylContact C-O 3.32Å; A243-N265 WeakPolarHBondContact CA-O 3.39Å; A243-N265 WeakPolarHBondContact CB-OD1 3.32Å; N244-N265 PolarHBondContact N-O 2.99Å; N265-N267 VanDerWaalsContact C-N 3.32Å; N265-N267 PolarHBondContact O-N 3.24Å; N265-N267 PolarHBondContact O-ND2 3.09Å; N265-Y288 PolarHBondContact N-O 3.5Å; N265-Y288 WeakPolarHBondContact OD1-CB 3.38Å; N265-E290 CarbonylContact C-O 3.45Å; N265-E290 WeakPolarHBondContact CA-O 3.17Å; N265-E290 HydrophobicContact CB-CG 3.61Å; N265-E290 WeakPolarHBondContact CB-O 3.05Å; N265-R291 PolarHBondContact ND2-NH2 3.33Å
266	D	98.3	Very high	95.7	Very high	49 Å²	49	44.1 Å²	44.1	26%	0.262	22%	0.223	S	C	.	.	S	Bend	trans	56.8	44.4	178.2	-57.7	-78	0	0	0	113.2	N244 N245 E290 R291	N244-D266 WeakPolarHBondContact CA-O 3.31Å; N244-D266 HydrophobicContact CB-CB 4.03Å; N244-D266 PolarHBondContact N-O 2.82Å; N245-D266 PolarHBondContact N-O 3.41Å; D266-E290 PolarHBondContact N-O 2.93Å; D266-R291 WeakPolarHBondContact OD1-CB 3.04Å; D266-R291 WeakPolarHBondContact OD1-CD 3.34Å; D266-R291 IonicContact OD1-CZ 3.17Å; D266-R291 IonicContact OD1-NE 2.8Å; D266-R291 PolarHBondContact OD1-NE 3.23Å; D266-R291 IonicContact OD2-CZ 2.95Å; D266-R291 VanDerWaalsContact OD2-CZ 3.24Å; D266-R291 IonicContact OD2-NE 2.72Å; D266-R291 PolarHBondContact OD2-NE 3.11Å; D266-R291 IonicContact OD2-NH2 3.77Å; D266-R291 PolarHBondContact OD2-NH2 3.05Å
267	N	98.4	Very high	95.5	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.043	23%	0.231	C	C	.	.	S	Bend	trans	-118.4	-171.2	171.5	-88.7	-79.7	0	0	0	110.3	L242 N245 K246 I247 F264 N265 N292	L242-N267 PolarHBondContact O-ND2 3.14Å; N245-N267 WeakPolarHBondContact CA-OD1 3.05Å; N245-N267 WeakPolarHBondContact CB-OD1 3.35Å; N245-N267 PolarHBondContact O-OD1 3.44Å; K246-N267 PolarHBondContact N-OD1 3.42Å; I247-N267 WeakPolarHBondContact CB-OD1 3.45Å; I247-N267 WeakPolarHBondContact CG1-OD1 3.29Å; I247-N267 PolarHBondContact N-OD1 3.13Å; F264-N267 HydrophobicContact CD1-CB 3.91Å; F264-N267 HydrophobicContact CE1-CB 3.65Å; F264-N267 HydrophobicContact CZ-CB 4.34Å; F264-N267 PolarHBondContact O-ND2 3.41Å; N265-N267 VanDerWaalsContact C-N 3.32Å; N265-N267 PolarHBondContact O-N 3.24Å; N265-N267 PolarHBondContact O-ND2 3.09Å; N267-N292 VanDerWaalsContact CA-OD1 3.31Å; N267-N292 WeakPolarHBondContact CA-OD1 3.29Å; N267-N292 WeakPolarHBondContact CB-OD1 3.36Å; N267-N292 PolarHBondContact N-OD1 3.48Å; N267-N292 PolarHBondContact O-OD1 3.23Å
268	E	97.7	Very high	95.6	Very high	56 Å²	56	41.4 Å²	41.4	26%	0.262	21%	0.208	S	C	.	.			trans	-109.8	28.7	-176.6	-60.8	179.3	-159.5	0	0	111.6	I247 R248 E270 N292	I247-E268 CarbonylContact O-C 3.2Å; I247-E268 VanDerWaalsContact O-C 3.32Å; I247-E268 WeakPolarHBondContact O-CA 3.37Å; I247-E268 PolarHBondContact O-N 3.1Å; R248-E268 WeakPolarHBondContact CA-O 3.43Å; R248-E268 HydrophobicContact CG-CB 3.62Å; R248-E268 IonicContact CZ-OE2 2.72Å; R248-E268 IonicContact NE-OE2 2.64Å; R248-E268 PolarHBondContact NE-OE2 3.04Å; R248-E268 IonicContact NH2-OE2 3.48Å; R248-E268 PolarHBondContact NH2-OE2 3.12Å; E268-E270 PolarHBondContact O-N 3.38Å; E268-N292 PolarHBondContact N-OD1 3.5Å
269	L	97	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.			trans	-68	114.5	-179.2	-174.5	61.8	0	0	0	111.7	I247 L250 F264 D274 L275 F289 N292 P293 I294	I247-L269 PolarHBondContact O-N 2.96Å; L250-L269 HydrophobicContact CD1-CD2 4.15Å; L250-L269 HydrophobicContact CG-CD1 4.15Å; L250-L269 HydrophobicContact CG-CD2 4.29Å; F264-L269 HydrophobicContact CD1-CD2 4.43Å; F264-L269 HydrophobicContact CE1-CB 4.06Å; F264-L269 HydrophobicContact CE1-CD2 4.32Å; L269-D274 HydrophobicContact CD1-CB 4.22Å; L269-L275 HydrophobicContact CD2-CD2 4.09Å; L269-F289 HydrophobicContact CD2-CD1 4.12Å; L269-F289 HydrophobicContact CD2-CE1 4.26Å; L269-N292 HydrophobicContact CB-CB 4.08Å; L269-N292 WeakPolarHBondContact CB-OD1 3.18Å; L269-N292 PolarHBondContact N-OD1 3.36Å; L269-P293 WeakPolarHBondContact O-CB 3.47Å; L269-P293 WeakPolarHBondContact O-CD 3.07Å; L269-I294 HydrophobicContact CB-CG1 4.49Å; L269-I294 HydrophobicContact CD2-CD1 3.58Å; L269-I294 HydrophobicContact CD2-CG1 4.17Å; L269-I294 HydrophobicContact CG-CD1 4.18Å; L269-I294 HydrophobicContact CG-CG1 4.29Å; L269-I294 HydrophobicContact CG-CG2 4.14Å; L269-I294 WeakPolarHBondContact O-CG2 3.39Å; L269-I294 PolarHBondContact O-N 3.31Å
270	E	93.6	Very high	95.2	Very high	136 Å²	136	46.7 Å²	46.7	64%	0.636	24%	0.237	S	C	*	.			trans	-102.1	-31.2	-176.9	-69.4	175.4	-164.8	0	0	114	E268 P293 I294	E268-E270 PolarHBondContact O-N 3.38Å; E270-P293 HydrophobicContact CB-CB 4.49Å; E270-P293 HydrophobicContact CG-CB 3.88Å; E270-P293 HydrophobicContact CG-CG 3.94Å; E270-I294 VanDerWaalsContact C-CG2 3.48Å; E270-I294 WeakPolarHBondContact O-CG2 3.18Å
271	N	93.3	Very high	95	Very high	89 Å²	89	43.8 Å²	43.8	48%	0.476	22%	0.223	S	C	.	.			trans	-104.4	111.6	-171.9	-176.3	16.9	0	0	0	112.1	G273 D274	N271-G273 PolarHBondContact O-N 3.17Å; N271-G273 PolarHBondContact OD1-N 3.35Å; N271-D274 PolarHBondContact ND2-OD1 3.42Å; N271-D274 WeakPolarHBondContact O-CB 3.46Å; N271-D274 PolarHBondContact O-N 2.85Å; N271-D274 VanDerWaalsContact O-N 3.16Å
272	L	91.5	Very high	94.7	Very high	40 Å²	40	45.6 Å²	45.6	21%	0.209	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-59.8	-29.8	174	-172	89.9	0	0	0	112.6	D274 L275 I294 K304 V305 E308	L272-D274 PolarHBondContact O-N 3.21Å; L272-D274 VanDerWaalsContact O-N 3.11Å; L272-L275 HydrophobicContact CD1-CD1 3.66Å; L272-L275 HydrophobicContact CG-CD1 4.19Å; L272-L275 WeakPolarHBondContact O-CB 3.49Å; L272-L275 WeakPolarHBondContact O-CG 3.33Å; L272-L275 PolarHBondContact O-N 3.06Å; L272-I294 HydrophobicContact CB-CG2 4.43Å; L272-K304 HydrophobicContact CD1-CB 4.11Å; L272-K304 HydrophobicContact CD2-CB 3.65Å; L272-K304 HydrophobicContact CD2-CD 4.08Å; L272-K304 HydrophobicContact CD2-CG 4.24Å; L272-V305 HydrophobicContact CD1-CG2 4.32Å; L272-E308 HydrophobicContact CD2-CG 4.45Å
273	G	91.5	Very high	94.5	Very high	30 Å²	30	49.9 Å²	49.9	31%	0.309	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-60.3	-22.1	178.9	0	0	0	0	0	113.7	N271 L275 K276	N271-G273 PolarHBondContact O-N 3.17Å; N271-G273 PolarHBondContact OD1-N 3.35Å; G273-L275 PolarHBondContact O-N 3.37Å; G273-K276 WeakPolarHBondContact O-CB 3.2Å; G273-K276 WeakPolarHBondContact O-CG 3.48Å; G273-K276 PolarHBondContact O-N 3.05Å
274	D	91.7	Very high	94.5	Very high	37 Å²	37	46 Å²	46	20%	0.198	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-67.3	-24.6	177.5	-69.5	11.3	0	0	0	111.7	S249 L250 L269 N271 L272 K276 C277	S249-D274 VanDerWaalsContact CA-OD2 3.3Å; S249-D274 WeakPolarHBondContact CA-OD2 3.25Å; S249-D274 VanDerWaalsContact CB-OD2 3.26Å; S249-D274 WeakPolarHBondContact CB-OD2 3.08Å; L250-D274 HydrophobicContact CB-CB 4.12Å; L250-D274 HydrophobicContact CD1-CB 4.41Å; L250-D274 HydrophobicContact CG-CB 4.39Å; L250-D274 PolarHBondContact N-OD2 2.83Å; L269-D274 HydrophobicContact CD1-CB 4.22Å; N271-D274 PolarHBondContact ND2-OD1 3.42Å; N271-D274 WeakPolarHBondContact O-CB 3.46Å; N271-D274 PolarHBondContact O-N 2.85Å; N271-D274 VanDerWaalsContact O-N 3.16Å; L272-D274 PolarHBondContact O-N 3.21Å; L272-D274 VanDerWaalsContact O-N 3.11Å; D274-K276 PolarHBondContact O-N 3.39Å; D274-K276 VanDerWaalsContact O-N 3.12Å; D274-C277 PolarHBondContact O-N 2.84Å; D274-C277 PolarHBondContact O-SG 2.85Å
275	L	94.2	Very high	94.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.7	-23.5	178.8	-60.3	-173.5	0	0	0	112.9	L250 L269 L272 G273 C277 L278 F289 I294 V305 E308 L309	L250-L275 HydrophobicContact CD1-CD2 3.67Å; L269-L275 HydrophobicContact CD2-CD2 4.09Å; L272-L275 HydrophobicContact CD1-CD1 3.66Å; L272-L275 HydrophobicContact CG-CD1 4.19Å; L272-L275 WeakPolarHBondContact O-CB 3.49Å; L272-L275 WeakPolarHBondContact O-CG 3.33Å; L272-L275 PolarHBondContact O-N 3.06Å; G273-L275 PolarHBondContact O-N 3.37Å; L275-C277 PolarHBondContact O-N 3.37Å; L275-L278 HydrophobicContact CD2-CD1 4.42Å; L275-L278 WeakPolarHBondContact O-CB 3.44Å; L275-L278 PolarHBondContact O-N 2.93Å; L275-F289 HydrophobicContact CD2-CD2 4.42Å; L275-F289 HydrophobicContact CD2-CE1 4.02Å; L275-F289 HydrophobicContact CD2-CE2 3.75Å; L275-F289 HydrophobicContact CD2-CZ 3.54Å; L275-I294 HydrophobicContact CD1-CD1 4.48Å; L275-I294 HydrophobicContact CD2-CD1 4.46Å; L275-V305 HydrophobicContact CD1-CB 4.41Å; L275-V305 HydrophobicContact CD1-CG1 4.41Å; L275-V305 HydrophobicContact CD1-CG2 3.85Å; L275-E308 HydrophobicContact CB-CB 4.26Å; L275-L309 HydrophobicContact CB-CD1 4.37Å; L275-L309 WeakPolarHBondContact O-CD2 3.36Å
276	K	91.5	Very high	94.4	Very high	126 Å²	126	48.4 Å²	48.4	55%	0.548	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-55.5	-28.2	179.5	-73.1	177	-179.2	179	0	113.5	G273 D274 L278 A279 E308	G273-K276 WeakPolarHBondContact O-CB 3.2Å; G273-K276 WeakPolarHBondContact O-CG 3.48Å; G273-K276 PolarHBondContact O-N 3.05Å; D274-K276 PolarHBondContact O-N 3.39Å; D274-K276 VanDerWaalsContact O-N 3.12Å; K276-L278 VanDerWaalsContact C-N 3.27Å; K276-L278 PolarHBondContact O-N 3.3Å; K276-A279 WeakPolarHBondContact O-CB 3.43Å; K276-A279 PolarHBondContact O-N 2.83Å; K276-E308 WeakPolarHBondContact CE-OE2 3.33Å; K276-E308 WeakPolarHBondContact CG-OE2 3.49Å
277	C	91.2	Very high	94.4	Very high	22 Å²	22	46 Å²	46	15%	0.149	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-66.4	-31.8	177.5	71.5	0	0	0	0	112.4	V251 D274 L275 A279	V251-C277 PolarHBondContact O-SG 2.64Å; D274-C277 PolarHBondContact O-N 2.84Å; D274-C277 PolarHBondContact O-SG 2.85Å; L275-C277 PolarHBondContact O-N 3.37Å; C277-A279 VanDerWaalsContact C-N 3.31Å; C277-A279 PolarHBondContact O-N 3.17Å
278	L	94.6	Very high	94.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-78	-15.8	-180	-56.4	179	0	0	0	112.7	L250 L253 F262 L275 K276 K280 C281 L284 F289 L309 Q311	L250-L278 HydrophobicContact CD1-CD1 3.81Å; L250-L278 HydrophobicContact CD1-CG 4.18Å; L253-L278 HydrophobicContact CB-CD2 4.27Å; L253-L278 HydrophobicContact CD1-CD2 3.8Å; L253-L278 HydrophobicContact CG-CD2 4.24Å; F262-L278 HydrophobicContact CD1-CD1 3.84Å; F262-L278 HydrophobicContact CE1-CD1 3.82Å; F262-L278 HydrophobicContact CE1-CD2 4.33Å; L275-L278 HydrophobicContact CD2-CD1 4.42Å; L275-L278 WeakPolarHBondContact O-CB 3.44Å; L275-L278 PolarHBondContact O-N 2.93Å; K276-L278 VanDerWaalsContact C-N 3.27Å; K276-L278 PolarHBondContact O-N 3.3Å; L278-K280 PolarHBondContact O-N 3.12Å; L278-K280 VanDerWaalsContact O-N 3.09Å; L278-C281 WeakPolarHBondContact O-CB 3.4Å; L278-C281 PolarHBondContact O-N 2.77Å; L278-L284 HydrophobicContact CB-CD2 4.08Å; L278-F289 HydrophobicContact CD1-CZ 3.74Å; L278-L309 HydrophobicContact CB-CD1 4.26Å; L278-L309 HydrophobicContact CB-CD2 3.77Å; L278-L309 HydrophobicContact CD1-CD1 4.31Å; L278-Q311 PolarHBondContact O-NE2 3.42Å
279	A	92.7	Very high	94.4	Very high	46 Å²	46	45.6 Å²	45.6	38%	0.38	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-60	-22.1	175.8	0	0	0	0	0	112.4	K276 C277 L309	K276-A279 WeakPolarHBondContact O-CB 3.43Å; K276-A279 PolarHBondContact O-N 2.83Å; C277-A279 VanDerWaalsContact C-N 3.31Å; C277-A279 PolarHBondContact O-N 3.17Å; A279-L309 HydrophobicContact CB-CD2 4.04Å; A279-L309 VanDerWaalsContact N-CD2 3.3Å
280	K	91.2	Very high	94.3	Very high	124 Å²	124	48 Å²	48	54%	0.539	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-78.1	-18.4	175.5	-62.7	177.6	-177.2	176.3	0	113.4	D252 L278 S282	D252-K280 IonicContact OD1-NZ 3.91Å; D252-K280 IonicContact OD2-NZ 3.55Å; D252-K280 PolarHBondContact OD2-NZ 2.79Å; L278-K280 PolarHBondContact O-N 3.12Å; L278-K280 VanDerWaalsContact O-N 3.09Å; K280-S282 PolarHBondContact O-N 3.28Å
281	C	94.3	Very high	94.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.014	24%	0.243	C	C	.	.			trans	-79.6	85.4	175.7	-56.2	0	0	0	0	108.6	L278 H283 L284 Q311	L278-C281 WeakPolarHBondContact O-CB 3.4Å; L278-C281 PolarHBondContact O-N 2.77Å; C281-H283 PolarHBondContact O-N 2.99Å; C281-L284 HydrophobicContact CB-CB 4.01Å; C281-L284 HydrophobicContact CB-CD2 4.49Å; C281-L284 VanDerWaalsContact O-CB 3.24Å; C281-L284 WeakPolarHBondContact O-CB 3.26Å; C281-L284 PolarHBondContact O-N 3.05Å; C281-L284 VanDerWaalsContact O-N 3.15Å; C281-Q311 PolarHBondContact O-NE2 3.46Å; C281-Q311 VanDerWaalsContact O-NE2 3.13Å
282	S	91.8	Very high	94.7	Very high	87 Å²	87	43.1 Å²	43.1	61%	0.608	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-20	-170.3	54	0	0	0	0	114.7	K280	K280-S282 PolarHBondContact O-N 3.28Å
283	H	95.5	Very high	94.9	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.417	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.7	177.6	-63.2	141.4	0	0	0	113.8	V257 L259 C281 K285	V257-H283 PolarHBondContact O-ND1 2.97Å; L259-H283 CarbonylContact O-C 3.57Å; C281-H283 PolarHBondContact O-N 2.99Å; H283-K285 WeakPolarHBondContact O-CG 3.3Å; H283-K285 PolarHBondContact O-N 3.07Å; H283-K285 VanDerWaalsContact O-N 3.17Å
284	L	97.3	Very high	95.1	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.217	C	C	.	.			trans	-64.1	116.4	-178.7	-170.9	63.5	0	0	0	110	L259 F262 L278 C281 V287 Q311 L312	L259-L284 HydrophobicContact CD2-CD1 4.13Å; L259-L284 HydrophobicContact CG-CD1 4.07Å; L259-L284 VanDerWaalsContact O-CA 3.25Å; L259-L284 WeakPolarHBondContact O-CA 3.21Å; L259-L284 PolarHBondContact O-N 3.16Å; F262-L284 HydrophobicContact CB-CD1 3.81Å; L278-L284 HydrophobicContact CB-CD2 4.08Å; C281-L284 HydrophobicContact CB-CB 4.01Å; C281-L284 HydrophobicContact CB-CD2 4.49Å; C281-L284 VanDerWaalsContact O-CB 3.24Å; C281-L284 WeakPolarHBondContact O-CB 3.26Å; C281-L284 PolarHBondContact O-N 3.05Å; C281-L284 VanDerWaalsContact O-N 3.15Å; L284-V287 HydrophobicContact CD1-CG1 4.27Å; L284-V287 HydrophobicContact CD2-CG1 3.83Å; L284-V287 HydrophobicContact CG-CG1 4.1Å; L284-Q311 WeakPolarHBondContact O-CG 3.38Å; L284-L312 HydrophobicContact CB-CD2 4.49Å; L284-L312 HydrophobicContact CD2-CD2 4.12Å; L284-L312 HydrophobicContact CG-CD2 3.81Å
285	K	97.5	Very high	95.2	Very high	65 Å²	65	42.4 Å²	42.4	28%	0.283	21%	0.214	S	C	.	.			trans	-107.4	-37.8	-176.9	-70.3	163.9	-158.5	165.5	0	111.7	E260 H283 K313 Q314	E260-K285 PolarHBondContact O-N 3.03Å; E260-K285 IonicContact OE1-NZ 3.99Å; E260-K285 PolarHBondContact OE1-NZ 3.02Å; E260-K285 IonicContact OE2-NZ 2.74Å; E260-K285 PolarHBondContact OE2-NZ 2.89Å; H283-K285 WeakPolarHBondContact O-CG 3.3Å; H283-K285 PolarHBondContact O-N 3.07Å; H283-K285 VanDerWaalsContact O-N 3.17Å; K285-K313 HydrophobicContact CG-CD 4.25Å; K285-K313 PolarHBondContact O-N 3.47Å; K285-Q314 PolarHBondContact O-N 3.44Å
286	T	98.3	Very high	95	Very high	8 Å²	8	47.2 Å²	47.2	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.4	-171	-52.2	0	0	0	0	110.3	E260 E261 F262 Y288 Q314	E260-T286 PolarHBondContact O-N 3.34Å; E260-T286 VanDerWaalsContact O-N 3.09Å; E261-T286 WeakPolarHBondContact OE1-CB 3.22Å; E261-T286 PolarHBondContact OE1-OG1 3.43Å; E261-T286 WeakPolarHBondContact OE2-CB 3.39Å; E261-T286 VanDerWaalsContact OE2-CG2 3.25Å; E261-T286 WeakPolarHBondContact OE2-CG2 3.35Å; F262-T286 PolarHBondContact N-O 2.94Å; T286-Y288 HydrophobicContact CG2-CD2 4.04Å; T286-Y288 HydrophobicContact CG2-CE2 3.52Å; T286-Q314 WeakPolarHBondContact CA-O 3.4Å; T286-Q314 HydrophobicContact CG2-CB 3.94Å; T286-Q314 HydrophobicContact CG2-CG 3.99Å
287	V	98.1	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	142.8	172.2	-64.1	0	0	0	0	110.2	F262 L284 F289 V305 L312 Q314 I315 D316	F262-V287 HydrophobicContact CB-CG1 4.37Å; F262-V287 VanDerWaalsContact O-CA 3.29Å; F262-V287 WeakPolarHBondContact O-CA 3.28Å; L284-V287 HydrophobicContact CD1-CG1 4.27Å; L284-V287 HydrophobicContact CD2-CG1 3.83Å; L284-V287 HydrophobicContact CG-CG1 4.1Å; V287-F289 HydrophobicContact CB-CD2 4.01Å; V287-F289 HydrophobicContact CB-CE2 3.57Å; V287-F289 HydrophobicContact CB-CZ 4.08Å; V287-F289 HydrophobicContact CG1-CE2 3.96Å; V287-F289 HydrophobicContact CG1-CZ 4.19Å; V287-F289 HydrophobicContact CG2-CD2 3.83Å; V287-F289 HydrophobicContact CG2-CE2 3.61Å; V287-V305 HydrophobicContact CG2-CG1 4.38Å; V287-L312 HydrophobicContact CG1-CD1 4.23Å; V287-L312 HydrophobicContact CG1-CD2 3.69Å; V287-L312 HydrophobicContact CG2-CD1 3.53Å; V287-L312 HydrophobicContact CG2-CD2 4.23Å; V287-Q314 PolarHBondContact N-O 2.76Å; V287-I315 HydrophobicContact CG2-CB 4.44Å; V287-I315 HydrophobicContact CG2-CG1 3.98Å; V287-I315 HydrophobicContact CG2-CG2 4.39Å; V287-I315 CarbonylContact O-C 3.58Å; V287-I315 WeakPolarHBondContact O-CA 3.43Å; V287-D316 PolarHBondContact O-N 3.1Å
288	Y	98.2	Very high	94.7	Very high	55 Å²	55	46.1 Å²	46.1	22%	0.216	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.3	166.5	-69.1	-106	0	0	0	108.1	F262 W263 F264 N265 T286 Q314 D316	F262-Y288 PolarHBondContact O-N 2.81Å; W263-Y288 AromaticContact CD1-CD2 3.4Å; W263-Y288 VanDerWaalsContact CD1-CD2 3.4Å; W263-Y288 AromaticContact CD1-CE2 3.77Å; W263-Y288 HydrophobicContact CG-CD2 4Å; W263-Y288 HydrophobicContact CG-CE2 4.49Å; W263-Y288 AromaticContact NE1-CD2 3.9Å; W263-Y288 AromaticContact NE1-CE2 3.75Å; F264-Y288 CarbonylContact C-O 3.5Å; F264-Y288 WeakPolarHBondContact CA-O 3.21Å; F264-Y288 WeakPolarHBondContact CB-O 3.06Å; F264-Y288 PolarHBondContact N-O 3.19Å; N265-Y288 PolarHBondContact N-O 3.5Å; N265-Y288 WeakPolarHBondContact OD1-CB 3.38Å; T286-Y288 HydrophobicContact CG2-CD2 4.04Å; T286-Y288 HydrophobicContact CG2-CE2 3.52Å; Y288-Q314 PolarHBondContact OH-NE2 2.9Å; Y288-Q314 VanDerWaalsContact OH-NE2 3.07Å; Y288-D316 WeakPolarHBondContact CA-OD1 3.35Å; Y288-D316 HydrophobicContact CD1-CB 4.48Å
289	F	97.4	Very high	94.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.301	C	S	.	.			trans	-122.1	3.9	171.5	-56.8	-68.7	0	0	0	112.8	F262 F264 L269 L275 L278 V287 N292 I294 S295 Y301 L309 D316	F262-F289 HydrophobicContact CD1-CE1 4.15Å; F262-F289 HydrophobicContact CD1-CZ 4.11Å; F262-F289 AromaticContact CE1-CE1 3.9Å; F262-F289 HydrophobicContact CE1-CE1 3.9Å; F262-F289 HydrophobicContact CE1-CZ 4.19Å; F264-F289 HydrophobicContact CB-CD1 3.76Å; F264-F289 HydrophobicContact CB-CE1 3.8Å; F264-F289 AromaticContact CD1-CD1 3.98Å; F264-F289 HydrophobicContact CD1-CD1 3.98Å; F264-F289 HydrophobicContact CD1-CE1 4.16Å; F264-F289 HydrophobicContact CG-CD1 4.2Å; F264-F289 HydrophobicContact CG-CE1 4.13Å; L269-F289 HydrophobicContact CD2-CD1 4.12Å; L269-F289 HydrophobicContact CD2-CE1 4.26Å; L275-F289 HydrophobicContact CD2-CD2 4.42Å; L275-F289 HydrophobicContact CD2-CE1 4.02Å; L275-F289 HydrophobicContact CD2-CE2 3.75Å; L275-F289 HydrophobicContact CD2-CZ 3.54Å; L278-F289 HydrophobicContact CD1-CZ 3.74Å; V287-F289 HydrophobicContact CB-CD2 4.01Å; V287-F289 HydrophobicContact CB-CE2 3.57Å; V287-F289 HydrophobicContact CB-CZ 4.08Å; V287-F289 HydrophobicContact CG1-CE2 3.96Å; V287-F289 HydrophobicContact CG1-CZ 4.19Å; V287-F289 HydrophobicContact CG2-CD2 3.83Å; V287-F289 HydrophobicContact CG2-CE2 3.61Å; F289-N292 VanDerWaalsContact O-CB 3.29Å; F289-N292 WeakPolarHBondContact O-CB 3.35Å; F289-N292 PolarHBondContact O-N 3.26Å; F289-N292 VanDerWaalsContact O-N 3.16Å; F289-N292 PolarHBondContact O-ND2 3.01Å; F289-I294 HydrophobicContact CB-CD1 3.94Å; F289-I294 HydrophobicContact CD1-CD1 4.47Å; F289-I294 HydrophobicContact CG-CD1 4.12Å; F289-S295 PolarHBondContact O-OG 3.41Å; F289-Y301 HydrophobicContact CB-CE2 4.19Å; F289-Y301 WeakPolarHBondContact CB-OH 3.31Å; F289-L309 HydrophobicContact CE2-CD1 4.46Å; F289-D316 PolarHBondContact N-OD1 3.48Å
290	E	95.8	Very high	94.6	Very high	51 Å²	51	54.2 Å²	54.2	24%	0.238	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	147	173.4	60.2	173	-162.9	0	0	112	N265 D266 N292 D316	N265-E290 CarbonylContact C-O 3.45Å; N265-E290 WeakPolarHBondContact CA-O 3.17Å; N265-E290 HydrophobicContact CB-CG 3.61Å; N265-E290 WeakPolarHBondContact CB-O 3.05Å; D266-E290 PolarHBondContact N-O 2.93Å; E290-N292 PolarHBondContact O-N 3.5Å; E290-N292 VanDerWaalsContact O-N 3.16Å; E290-D316 HydrophobicContact CB-CB 4.27Å; E290-D316 HydrophobicContact CG-CB 4.34Å; E290-D316 PolarHBondContact N-OD1 3.48Å
291	R	96.2	Very high	94.8	Very high	122 Å²	122	49.1 Å²	49.1	46%	0.46	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	20.6	-177.4	-57.1	-179.7	-67.1	-76.5	-9.2	114.2	N265 D266 S295	N265-R291 PolarHBondContact ND2-NH2 3.33Å; D266-R291 WeakPolarHBondContact OD1-CB 3.04Å; D266-R291 WeakPolarHBondContact OD1-CD 3.34Å; D266-R291 IonicContact OD1-CZ 3.17Å; D266-R291 IonicContact OD1-NE 2.8Å; D266-R291 PolarHBondContact OD1-NE 3.23Å; D266-R291 IonicContact OD2-CZ 2.95Å; D266-R291 VanDerWaalsContact OD2-CZ 3.24Å; D266-R291 IonicContact OD2-NE 2.72Å; D266-R291 PolarHBondContact OD2-NE 3.11Å; D266-R291 IonicContact OD2-NH2 3.77Å; D266-R291 PolarHBondContact OD2-NH2 3.05Å; R291-S295 PolarHBondContact N-OG 3Å; R291-S295 VanDerWaalsContact N-OG 3.1Å
292	N	97.6	Very high	94.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-93.8	154.9	157.6	-75.7	-96.2	0	0	0	111.2	F264 N267 E268 L269 F289 E290 I294 S295 T296	F264-N292 PolarHBondContact O-ND2 2.85Å; N267-N292 VanDerWaalsContact CA-OD1 3.31Å; N267-N292 WeakPolarHBondContact CA-OD1 3.29Å; N267-N292 WeakPolarHBondContact CB-OD1 3.36Å; N267-N292 PolarHBondContact N-OD1 3.48Å; N267-N292 PolarHBondContact O-OD1 3.23Å; E268-N292 PolarHBondContact N-OD1 3.5Å; L269-N292 HydrophobicContact CB-CB 4.08Å; L269-N292 WeakPolarHBondContact CB-OD1 3.18Å; L269-N292 PolarHBondContact N-OD1 3.36Å; F289-N292 VanDerWaalsContact O-CB 3.29Å; F289-N292 WeakPolarHBondContact O-CB 3.35Å; F289-N292 PolarHBondContact O-N 3.26Å; F289-N292 VanDerWaalsContact O-N 3.16Å; F289-N292 PolarHBondContact O-ND2 3.01Å; E290-N292 PolarHBondContact O-N 3.5Å; E290-N292 VanDerWaalsContact O-N 3.16Å; N292-I294 HydrophobicContact CB-CG1 3.86Å; N292-I294 PolarHBondContact O-N 3.16Å; N292-I294 VanDerWaalsContact O-N 3.14Å; N292-S295 PolarHBondContact N-OG 2.85Å; N292-S295 PolarHBondContact O-N 3.22Å; N292-S295 PolarHBondContact O-OG 3.44Å; N292-T296 PolarHBondContact O-N 3.38Å; N292-T296 VanDerWaalsContact O-N 3.13Å; N292-T296 PolarHBondContact O-OG1 2.98Å
293	P	96.8	Very high	95	Very high	61 Å²	61	55.9 Å²	55.9	40%	0.396	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.3	-33.6	172.5	-25.8	31.3	0	0	0	115	L269 E270 S295 T296	L269-P293 WeakPolarHBondContact O-CB 3.47Å; L269-P293 WeakPolarHBondContact O-CD 3.07Å; E270-P293 HydrophobicContact CB-CB 4.49Å; E270-P293 HydrophobicContact CG-CB 3.88Å; E270-P293 HydrophobicContact CG-CG 3.94Å; P293-S295 PolarHBondContact O-N 3.24Å; P293-T296 PolarHBondContact O-N 3.11Å
294	I	95.2	Very high	95	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.056	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-24.9	173.6	56.5	159.3	0	0	0	114.4	L269 E270 L272 L275 F289 N292 Y301	L269-I294 HydrophobicContact CB-CG1 4.49Å; L269-I294 HydrophobicContact CD2-CD1 3.58Å; L269-I294 HydrophobicContact CD2-CG1 4.17Å; L269-I294 HydrophobicContact CG-CD1 4.18Å; L269-I294 HydrophobicContact CG-CG1 4.29Å; L269-I294 HydrophobicContact CG-CG2 4.14Å; L269-I294 WeakPolarHBondContact O-CG2 3.39Å; L269-I294 PolarHBondContact O-N 3.31Å; E270-I294 VanDerWaalsContact C-CG2 3.48Å; E270-I294 WeakPolarHBondContact O-CG2 3.18Å; L272-I294 HydrophobicContact CB-CG2 4.43Å; L275-I294 HydrophobicContact CD1-CD1 4.48Å; L275-I294 HydrophobicContact CD2-CD1 4.46Å; F289-I294 HydrophobicContact CB-CD1 3.94Å; F289-I294 HydrophobicContact CD1-CD1 4.47Å; F289-I294 HydrophobicContact CG-CD1 4.12Å; N292-I294 HydrophobicContact CB-CG1 3.86Å; N292-I294 PolarHBondContact O-N 3.16Å; N292-I294 VanDerWaalsContact O-N 3.14Å; I294-Y301 HydrophobicContact CD1-CE2 4.13Å; I294-Y301 HydrophobicContact CG1-CE2 4.43Å; I294-Y301 WeakPolarHBondContact O-CD2 3.39Å
295	S	94.6	Very high	95	Very high	20 Å²	20	55.1 Å²	55.1	14%	0.14	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-32.2	-178.4	73.1	0	0	0	0	112.3	F289 R291 N292 P293 G297	F289-S295 PolarHBondContact O-OG 3.41Å; R291-S295 PolarHBondContact N-OG 3Å; R291-S295 VanDerWaalsContact N-OG 3.1Å; N292-S295 PolarHBondContact N-OG 2.85Å; N292-S295 PolarHBondContact O-N 3.22Å; N292-S295 PolarHBondContact O-OG 3.44Å; P293-S295 PolarHBondContact O-N 3.24Å; S295-G297 PolarHBondContact O-N 2.98Å
296	T	90	Very high	94.9	Very high	101 Å²	101	54.8 Å²	54.8	62%	0.62	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	117.2	-172.9	-56.5	0	0	0	0	111.4	N292 P293 D298	N292-T296 PolarHBondContact O-N 3.38Å; N292-T296 VanDerWaalsContact O-N 3.13Å; N292-T296 PolarHBondContact O-OG1 2.98Å; P293-T296 PolarHBondContact O-N 3.11Å; T296-D298 VanDerWaalsContact C-N 3.31Å; T296-D298 PolarHBondContact O-N 2.82Å
297	G	84.5	Confident	94.7	Very high	80 Å²	80	61 Å²	61	83%	0.825	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-1.8	173.6	0	0	0	0	0	115.7	S295 P299	S295-G297 PolarHBondContact O-N 2.98Å; G297-P299 WeakPolarHBondContact O-CD 3.13Å
298	D	91.2	Very high	94.5	Very high	45 Å²	45	63.6 Å²	63.6	24%	0.241	33%	0.332	C	S	.	.			trans	-98.9	102.7	173.2	-173.3	-5	0	0	0	111.1	T296 L300 Y301 K304	T296-D298 VanDerWaalsContact C-N 3.31Å; T296-D298 PolarHBondContact O-N 2.82Å; D298-L300 PolarHBondContact O-N 3.16Å; D298-L300 WeakPolarHBondContact OD1-CA 3.18Å; D298-L300 WeakPolarHBondContact OD1-CB 3.32Å; D298-L300 PolarHBondContact OD1-N 3.43Å; D298-Y301 VanDerWaalsContact O-CB 3.24Å; D298-Y301 WeakPolarHBondContact O-CB 3.41Å; D298-Y301 PolarHBondContact O-N 3.05Å; D298-K304 IonicContact OD1-NZ 3.83Å; D298-K304 PolarHBondContact OD1-NZ 2.83Å; D298-K304 WeakPolarHBondContact OD2-CD 3.41Å; D298-K304 WeakPolarHBondContact OD2-CE 3.22Å; D298-K304 IonicContact OD2-NZ 3.69Å; D298-K304 PolarHBondContact OD2-NZ 2.92Å
299	P	91.7	Very high	94.4	Very high	128 Å²	128	61 Å²	61	83%	0.831	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.9	179.6	27.9	-35.4	0	0	0	113.2	G297	G297-P299 WeakPolarHBondContact O-CD 3.13Å
300	L	93.8	Very high	94.2	Very high	88 Å²	88	66 Å²	66	46%	0.461	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	3.1	177.6	-60	178.9	0	0	0	113	D298 R302 R303 K304	D298-L300 PolarHBondContact O-N 3.16Å; D298-L300 WeakPolarHBondContact OD1-CA 3.18Å; D298-L300 WeakPolarHBondContact OD1-CB 3.32Å; D298-L300 PolarHBondContact OD1-N 3.43Å; L300-R302 PolarHBondContact O-N 3.16Å; L300-R303 WeakPolarHBondContact O-CB 3.28Å; L300-R303 PolarHBondContact O-N 2.72Å; L300-K304 HydrophobicContact CB-CD 4.27Å; L300-K304 HydrophobicContact CB-CG 4.35Å; L300-K304 WeakPolarHBondContact O-CG 3.48Å; L300-K304 PolarHBondContact O-N 2.89Å
301	Y	95	Very high	94.2	Very high	16 Å²	16	66 Å²	66	6%	0.063	35%	0.354	C	S	.	.	H	α-helix	trans	-44.3	-58	-177.3	152.8	-108.9	0	0	0	112.5	F289 I294 D298 R303 K304 V305 I315 D316	F289-Y301 HydrophobicContact CB-CE2 4.19Å; F289-Y301 WeakPolarHBondContact CB-OH 3.31Å; I294-Y301 HydrophobicContact CD1-CE2 4.13Å; I294-Y301 HydrophobicContact CG1-CE2 4.43Å; I294-Y301 WeakPolarHBondContact O-CD2 3.39Å; D298-Y301 VanDerWaalsContact O-CB 3.24Å; D298-Y301 WeakPolarHBondContact O-CB 3.41Å; D298-Y301 PolarHBondContact O-N 3.05Å; Y301-R303 VanDerWaalsContact C-N 3.32Å; Y301-R303 PolarHBondContact O-N 3.38Å; Y301-K304 WeakPolarHBondContact O-CB 3.31Å; Y301-K304 PolarHBondContact O-N 3.19Å; Y301-K304 VanDerWaalsContact O-N 3.09Å; Y301-V305 HydrophobicContact CD2-CG2 3.74Å; Y301-V305 HydrophobicContact CE2-CG2 3.38Å; Y301-V305 WeakPolarHBondContact O-CG2 3.41Å; Y301-V305 PolarHBondContact O-N 3.47Å; Y301-I315 HydrophobicContact CE1-CG2 4.34Å; Y301-D316 VanDerWaalsContact CE1-OD2 3.28Å; Y301-D316 WeakPolarHBondContact CE1-OD2 3.33Å; Y301-D316 PolarHBondContact OH-OD1 2.64Å; Y301-D316 PolarHBondContact OH-OD2 3.36Å
302	R	95.6	Very high	94.2	Very high	70 Å²	70	60.9 Å²	60.9	26%	0.264	34%	0.336	S	S	.	.	H	α-helix	trans	-58.3	-43.6	-178.4	-65.9	-178.3	61.9	75.8	-0.9	112.6	L300 K304 V305 M306 I315 T318 L319	L300-R302 PolarHBondContact O-N 3.16Å; R302-K304 VanDerWaalsContact C-N 3.31Å; R302-K304 PolarHBondContact O-N 2.85Å; R302-V305 PolarHBondContact O-N 3.09Å; R302-M306 WeakPolarHBondContact O-CG 3.41Å; R302-M306 PolarHBondContact O-N 3.05Å; R302-I315 PolarHBondContact NH1-O 2.87Å; R302-T318 PolarHBondContact NH1-OG1 3.41Å; R302-T318 PolarHBondContact NH2-O 3.05Å; R302-T318 PolarHBondContact NH2-OG1 2.72Å; R302-L319 PolarHBondContact NH2-O 2.95Å
303	R	95.4	Very high	94.2	Very high	162 Å²	162	67.2 Å²	67.2	61%	0.611	36%	0.363	S	S	*	.	H	α-helix	trans	-62.9	-42	179	-176.7	179	178.2	177.1	0.8	110.8	L300 Y301 M306 M307	L300-R303 WeakPolarHBondContact O-CB 3.28Å; L300-R303 PolarHBondContact O-N 2.72Å; Y301-R303 VanDerWaalsContact C-N 3.32Å; Y301-R303 PolarHBondContact O-N 3.38Å; R303-M306 PolarHBondContact O-N 3.28Å; R303-M307 HydrophobicContact CG-SD 4.5Å; R303-M307 VanDerWaalsContact O-CG 3.31Å; R303-M307 WeakPolarHBondContact O-CG 3.45Å; R303-M307 PolarHBondContact O-N 2.94Å
304	K	95.5	Very high	94.3	Very high	74 Å²	74	66.5 Å²	66.5	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-66	-43	177.8	-73.3	174.7	178.1	176.3	0	111.8	L272 D298 L300 Y301 R302 M307 E308	L272-K304 HydrophobicContact CD1-CB 4.11Å; L272-K304 HydrophobicContact CD2-CB 3.65Å; L272-K304 HydrophobicContact CD2-CD 4.08Å; L272-K304 HydrophobicContact CD2-CG 4.24Å; D298-K304 IonicContact OD1-NZ 3.83Å; D298-K304 PolarHBondContact OD1-NZ 2.83Å; D298-K304 WeakPolarHBondContact OD2-CD 3.41Å; D298-K304 WeakPolarHBondContact OD2-CE 3.22Å; D298-K304 IonicContact OD2-NZ 3.69Å; D298-K304 PolarHBondContact OD2-NZ 2.92Å; L300-K304 HydrophobicContact CB-CD 4.27Å; L300-K304 HydrophobicContact CB-CG 4.35Å; L300-K304 WeakPolarHBondContact O-CG 3.48Å; L300-K304 PolarHBondContact O-N 2.89Å; Y301-K304 WeakPolarHBondContact O-CB 3.31Å; Y301-K304 PolarHBondContact O-N 3.19Å; Y301-K304 VanDerWaalsContact O-N 3.09Å; R302-K304 VanDerWaalsContact C-N 3.31Å; R302-K304 PolarHBondContact O-N 2.85Å; K304-M307 PolarHBondContact O-N 3.45Å; K304-E308 PolarHBondContact O-N 2.8Å; K304-E308 VanDerWaalsContact O-N 3.12Å
305	V	96.3	Very high	94.4	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-58	-49.4	173.1	175	0	0	0	0	110.9	L272 L275 V287 Y301 R302 M307 E308 L309 L312 I315	L272-V305 HydrophobicContact CD1-CG2 4.32Å; L275-V305 HydrophobicContact CD1-CB 4.41Å; L275-V305 HydrophobicContact CD1-CG1 4.41Å; L275-V305 HydrophobicContact CD1-CG2 3.85Å; V287-V305 HydrophobicContact CG2-CG1 4.38Å; Y301-V305 HydrophobicContact CD2-CG2 3.74Å; Y301-V305 HydrophobicContact CE2-CG2 3.38Å; Y301-V305 WeakPolarHBondContact O-CG2 3.41Å; Y301-V305 PolarHBondContact O-N 3.47Å; R302-V305 PolarHBondContact O-N 3.09Å; V305-M307 PolarHBondContact O-N 3.29Å; V305-E308 PolarHBondContact O-N 2.72Å; V305-L309 HydrophobicContact CG1-CD1 4.4Å; V305-L309 WeakPolarHBondContact O-CB 3.43Å; V305-L309 PolarHBondContact O-N 3.23Å; V305-L312 HydrophobicContact CG1-CD1 3.87Å; V305-I315 HydrophobicContact CB-CD1 4.04Å; V305-I315 HydrophobicContact CG1-CD1 3.67Å; V305-I315 HydrophobicContact CG1-CG1 4.05Å
306	M	95.3	Very high	94.5	Very high	58 Å²	58	65.5 Å²	65.5	29%	0.286	35%	0.348	S	S	.	.	H	α-helix	trans	-62.3	-29.9	177.9	-70	-175.7	-66.9	0	0	113.4	R302 R303 L309 P310 I315 C320	R302-M306 WeakPolarHBondContact O-CG 3.41Å; R302-M306 PolarHBondContact O-N 3.05Å; R303-M306 PolarHBondContact O-N 3.28Å; M306-L309 CarbonylContact O-C 3.32Å; M306-P310 WeakPolarHBondContact O-CA 3.24Å; M306-I315 HydrophobicContact CG-CD1 3.39Å; M306-I315 HydrophobicContact SD-CD1 4.37Å; M306-C320 HydrophobicContact SD-CB 3.96Å
307	M	94.6	Very high	94.6	Very high	139 Å²	139	65.1 Å²	65.1	69%	0.685	35%	0.35	S	S	*	.	H	α-helix	trans	-71.4	-37.4	175.8	-75.8	179.9	65.5	0	0	112.5	R303 K304 V305	R303-M307 HydrophobicContact CG-SD 4.5Å; R303-M307 VanDerWaalsContact O-CG 3.31Å; R303-M307 WeakPolarHBondContact O-CG 3.45Å; R303-M307 PolarHBondContact O-N 2.94Å; K304-M307 PolarHBondContact O-N 3.45Å; V305-M307 PolarHBondContact O-N 3.29Å
308	E	94.5	Very high	95.1	Very high	55 Å²	55	64.5 Å²	64.5	26%	0.257	33%	0.33	S	S	.	.	H	α-helix	trans	-79.6	-31	177.2	-63.3	-66.1	166.1	0	0	111.8	L272 L275 K276 K304 V305 P310	L272-E308 HydrophobicContact CD2-CG 4.45Å; L275-E308 HydrophobicContact CB-CB 4.26Å; K276-E308 WeakPolarHBondContact CE-OE2 3.33Å; K276-E308 WeakPolarHBondContact CG-OE2 3.49Å; K304-E308 PolarHBondContact O-N 2.8Å; K304-E308 VanDerWaalsContact O-N 3.12Å; V305-E308 PolarHBondContact O-N 2.72Å; E308-P310 WeakPolarHBondContact O-CD 3.35Å
309	L	95.3	Very high	95.3	Very high	1 Å²	1	68.1 Å²	68.1	1%	0.005	35%	0.349	C	S	.	.			trans	-128.4	69.5	-174.8	-57.3	177.7	0	0	0	111.5	L275 L278 A279 F289 V305 M306 Q311 L312	L275-L309 HydrophobicContact CB-CD1 4.37Å; L275-L309 WeakPolarHBondContact O-CD2 3.36Å; L278-L309 HydrophobicContact CB-CD1 4.26Å; L278-L309 HydrophobicContact CB-CD2 3.77Å; L278-L309 HydrophobicContact CD1-CD1 4.31Å; A279-L309 HydrophobicContact CB-CD2 4.04Å; A279-L309 VanDerWaalsContact N-CD2 3.3Å; F289-L309 HydrophobicContact CE2-CD1 4.46Å; V305-L309 HydrophobicContact CG1-CD1 4.4Å; V305-L309 WeakPolarHBondContact O-CB 3.43Å; V305-L309 PolarHBondContact O-N 3.23Å; M306-L309 CarbonylContact O-C 3.32Å; L309-Q311 PolarHBondContact O-N 2.95Å; L309-Q311 VanDerWaalsContact O-N 3.16Å; L309-L312 HydrophobicContact CB-CD1 3.51Å; L309-L312 HydrophobicContact CB-CG 3.79Å; L309-L312 HydrophobicContact CD1-CD1 3.88Å; L309-L312 HydrophobicContact CG-CD1 4.35Å; L309-L312 WeakPolarHBondContact O-CG 3.43Å; L309-L312 PolarHBondContact O-N 3.14Å
310	P	93.8	Very high	95.3	Very high	105 Å²	105	63.7 Å²	63.7	68%	0.682	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-12	-174.7	28.5	-36.6	0	0	0	114.4	M306 E308 L312	M306-P310 WeakPolarHBondContact O-CA 3.24Å; E308-P310 WeakPolarHBondContact O-CD 3.35Å; P310-L312 VanDerWaalsContact C-N 3.33Å
311	Q	94.6	Very high	94.7	Very high	51 Å²	51	74 Å²	74	24%	0.238	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-14.1	178.8	72.5	-87.3	35.7	0	0	114.1	L278 C281 L284 L309	L278-Q311 PolarHBondContact O-NE2 3.42Å; C281-Q311 PolarHBondContact O-NE2 3.46Å; C281-Q311 VanDerWaalsContact O-NE2 3.13Å; L284-Q311 WeakPolarHBondContact O-CG 3.38Å; L309-Q311 PolarHBondContact O-N 2.95Å; L309-Q311 VanDerWaalsContact O-N 3.16Å
312	L	97	Very high	94.7	Very high	13 Å²	13	76.9 Å²	76.9	7%	0.068	37%	0.367	C	S	.	.			trans	-65.9	143.9	-174.7	-65.5	175.1	0	0	0	112.6	L284 V287 V305 L309 P310 I315	L284-L312 HydrophobicContact CB-CD2 4.49Å; L284-L312 HydrophobicContact CD2-CD2 4.12Å; L284-L312 HydrophobicContact CG-CD2 3.81Å; V287-L312 HydrophobicContact CG1-CD1 4.23Å; V287-L312 HydrophobicContact CG1-CD2 3.69Å; V287-L312 HydrophobicContact CG2-CD1 3.53Å; V287-L312 HydrophobicContact CG2-CD2 4.23Å; V305-L312 HydrophobicContact CG1-CD1 3.87Å; L309-L312 HydrophobicContact CB-CD1 3.51Å; L309-L312 HydrophobicContact CB-CG 3.79Å; L309-L312 HydrophobicContact CD1-CD1 3.88Å; L309-L312 HydrophobicContact CG-CD1 4.35Å; L309-L312 WeakPolarHBondContact O-CG 3.43Å; L309-L312 PolarHBondContact O-N 3.14Å; P310-L312 VanDerWaalsContact C-N 3.33Å; L312-I315 HydrophobicContact CD1-CD1 4.3Å; L312-I315 HydrophobicContact CD1-CG1 3.92Å
313	K	97.5	Very high	94.6	Very high	134 Å²	134	77.3 Å²	77.3	58%	0.583	37%	0.373	S	S	*	.	S	Bend	trans	-104.8	-26.5	172.5	-62.7	-173.5	-179.9	-178.6	0	112.1	K285 L319 C320	K285-K313 HydrophobicContact CG-CD 4.25Å; K285-K313 PolarHBondContact O-N 3.47Å; K313-L319 WeakPolarHBondContact O-CA 3.46Å; K313-C320 PolarHBondContact O-N 3.26Å
314	Q	98.2	Very high	94.6	Very high	45 Å²	45	72.6 Å²	72.6	21%	0.21	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	138	-179.2	-177.5	176.1	-41.3	0	0	110.8	K285 T286 V287 Y288 D316 L319	K285-Q314 PolarHBondContact O-N 3.44Å; T286-Q314 WeakPolarHBondContact CA-O 3.4Å; T286-Q314 HydrophobicContact CG2-CB 3.94Å; T286-Q314 HydrophobicContact CG2-CG 3.99Å; V287-Q314 PolarHBondContact N-O 2.76Å; Y288-Q314 PolarHBondContact OH-NE2 2.9Å; Y288-Q314 VanDerWaalsContact OH-NE2 3.07Å; Q314-D316 WeakPolarHBondContact CG-O 3.48Å; Q314-D316 PolarHBondContact NE2-O 3.23Å; Q314-L319 HydrophobicContact CB-CD2 4.15Å; Q314-L319 HydrophobicContact CG-CD2 4.45Å
315	I	97.4	Very high	94.5	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.4	170.8	-63.9	163.2	0	0	0	106.5	V287 Y301 R302 V305 M306 L312 S317 T318	V287-I315 HydrophobicContact CG2-CB 4.44Å; V287-I315 HydrophobicContact CG2-CG1 3.98Å; V287-I315 HydrophobicContact CG2-CG2 4.39Å; V287-I315 CarbonylContact O-C 3.58Å; V287-I315 WeakPolarHBondContact O-CA 3.43Å; Y301-I315 HydrophobicContact CE1-CG2 4.34Å; R302-I315 PolarHBondContact NH1-O 2.87Å; V305-I315 HydrophobicContact CB-CD1 4.04Å; V305-I315 HydrophobicContact CG1-CD1 3.67Å; V305-I315 HydrophobicContact CG1-CG1 4.05Å; M306-I315 HydrophobicContact CG-CD1 3.39Å; M306-I315 HydrophobicContact SD-CD1 4.37Å; L312-I315 HydrophobicContact CD1-CD1 4.3Å; L312-I315 HydrophobicContact CD1-CG1 3.92Å; I315-S317 PolarHBondContact O-N 3.13Å; I315-T318 PolarHBondContact N-O 2.91Å; I315-T318 PolarHBondContact O-N 2.75Å; I315-T318 PolarHBondContact O-OG1 3.31Å
316	D	96.5	Very high	94.4	Very high	10 Å²	10	77 Å²	77	5%	0.053	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-134.4	-175	-48.6	-50.8	0	0	0	110.5	V287 Y288 F289 E290 Y301 Q314 T318	V287-D316 PolarHBondContact O-N 3.1Å; Y288-D316 WeakPolarHBondContact CA-OD1 3.35Å; Y288-D316 HydrophobicContact CD1-CB 4.48Å; F289-D316 PolarHBondContact N-OD1 3.48Å; E290-D316 HydrophobicContact CB-CB 4.27Å; E290-D316 HydrophobicContact CG-CB 4.34Å; E290-D316 PolarHBondContact N-OD1 3.48Å; Y301-D316 VanDerWaalsContact CE1-OD2 3.28Å; Y301-D316 WeakPolarHBondContact CE1-OD2 3.33Å; Y301-D316 PolarHBondContact OH-OD1 2.64Å; Y301-D316 PolarHBondContact OH-OD2 3.36Å; Q314-D316 WeakPolarHBondContact CG-O 3.48Å; Q314-D316 PolarHBondContact NE2-O 3.23Å; D316-T318 VanDerWaalsContact C-N 3.25Å; D316-T318 PolarHBondContact O-N 3.03Å
317	S	93.9	Very high	94.4	Very high	94 Å²	94	78.3 Å²	78.3	66%	0.657	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	4.5	179.5	56.6	0	0	0	0	115.5	I315	I315-S317 PolarHBondContact O-N 3.13Å
318	T	94.6	Very high	94.3	Very high	66 Å²	66	73.9 Å²	73.9	41%	0.405	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138.7	-171.3	53.1	0	0	0	0	114.3	R302 I315 D316	R302-T318 PolarHBondContact NH1-OG1 3.41Å; R302-T318 PolarHBondContact NH2-O 3.05Å; R302-T318 PolarHBondContact NH2-OG1 2.72Å; I315-T318 PolarHBondContact N-O 2.91Å; I315-T318 PolarHBondContact O-N 2.75Å; I315-T318 PolarHBondContact O-OG1 3.31Å; D316-T318 VanDerWaalsContact C-N 3.25Å; D316-T318 PolarHBondContact O-N 3.03Å
319	L	96	Very high	94.3	Very high	122 Å²	122	75.4 Å²	75.4	64%	0.639	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63	147.7	177.7	-62	176.6	0	0	0	112.4	R302 K313 Q314	R302-L319 PolarHBondContact NH2-O 2.95Å; K313-L319 WeakPolarHBondContact O-CA 3.46Å; Q314-L319 HydrophobicContact CB-CD2 4.15Å; Q314-L319 HydrophobicContact CG-CD2 4.45Å
320	C	90.9	Very high	94.2	Very high	35 Å²	35	81.6 Å²	81.6	24%	0.236	41%	0.41	C	S	.	.			trans	-69.7	133.9	169.1	-62.2	0	0	0	0	109.1	M306 K313	M306-C320 HydrophobicContact SD-CB 3.96Å; K313-C320 PolarHBondContact O-N 3.26Å
321	R	80.7	Confident	94.3	Very high	304 Å²	304	79.5 Å²	79.5	100%	1.147	39%	0.385	S	S	*	.			trans	-109.1	0	174.1	-69.3	-174.5	-178.4	-177.1	1.8	109.6

Retrieved 321 of 321 residues in 393.9 ms (Link to these results)

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