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Lactonase drp35

Exhibits lactonase activity. Acts in cells with perturbed membrane integrity and is possibly related to the membrane homeostasis (By similarity).

AlphaFold DB (Q2FUS8), UniProt , Accession Q99QV3, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene drp35, Length 324 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	57.1	Low	76.1	Confident	242 Å²	242	144.5 Å²	144.5	100%	1.192	75%	0.748	S	S	*	*				0	124.2	0	-72.4	-174.9	-113.3	0	0	106.4	S3	M1-S3 PolarHBondContact O-N 2.78Å
2	M	56.3	Low	77	Confident	157 Å²	157	147.8 Å²	147.8	77%	0.773	75%	0.746	S	S	*	*			trans	-58.4	129.4	168.7	-92.5	172.3	167.9	0	0	107.4	D6	M2-D6 HydrophobicContact CB-CB 4.39Å; M2-D6 HydrophobicContact CG-CB 4.33Å
3	S	66.5	Low	77.8	Confident	52 Å²	52	141.5 Å²	141.5	36%	0.364	72%	0.724	S	S	.	*			trans	-68.5	154.1	176.2	76.7	0	0	0	0	108.4	M1 Q5 D6	M1-S3 PolarHBondContact O-N 2.78Å; S3-Q5 PolarHBondContact O-N 3.08Å; S3-D6 WeakPolarHBondContact CB-OD2 3.34Å; S3-D6 PolarHBondContact N-OD2 2.57Å; S3-D6 WeakPolarHBondContact O-CB 3.39Å; S3-D6 PolarHBondContact O-N 3.21Å; S3-D6 VanDerWaalsContact OG-CG 3.29Å; S3-D6 PolarHBondContact OG-OD2 2.78Å
4	Q	67.6	Low	78.5	Confident	176 Å²	176	136.5 Å²	136.5	82%	0.822	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-58.2	-20.4	178.3	-138.5	178.7	4.9	0	0	112.4	D6	Q4-D6 VanDerWaalsContact C-N 3.33Å
5	Q	69.3	Low	78.8	Confident	185 Å²	185	135.9 Å²	135.9	86%	0.864	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-75.7	-14.1	174.7	-74.7	179.6	-25.2	0	0	114.1	S3	S3-Q5 PolarHBondContact O-N 3.08Å
6	D	79.2	Confident	79.3	Confident	97 Å²	97	130.5 Å²	130.5	52%	0.519	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-93.6	-0.3	-179.1	-57.5	-50.8	0	0	0	113	M2 S3 Q4	M2-D6 HydrophobicContact CB-CB 4.39Å; M2-D6 HydrophobicContact CG-CB 4.33Å; S3-D6 WeakPolarHBondContact CB-OD2 3.34Å; S3-D6 PolarHBondContact N-OD2 2.57Å; S3-D6 WeakPolarHBondContact O-CB 3.39Å; S3-D6 PolarHBondContact O-N 3.21Å; S3-D6 VanDerWaalsContact OG-CG 3.29Å; S3-D6 PolarHBondContact OG-OD2 2.78Å; Q4-D6 VanDerWaalsContact C-N 3.33Å
7	L	85.8	Confident	80	Confident	97 Å²	97	129.6 Å²	129.6	51%	0.508	69%	0.686	S	S	.	*	S	Bend	trans	-79.7	129.3	179.4	-66.6	177.6	0	0	0	110.6	T9	L7-T9 PolarHBondContact O-N 3.48Å; L7-T9 VanDerWaalsContact O-N 3.12Å; L7-T9 PolarHBondContact O-OG1 3.05Å
8	P	86.1	Confident	80.8	Confident	134 Å²	134	123.4 Å²	123.4	87%	0.87	66%	0.655	S	S	*	*			trans	-53.4	120.8	170.7	-25.2	34.2	0	0	0	110.5
9	T	89.4	Confident	81.5	Confident	111 Å²	111	120.2 Å²	120.2	68%	0.681	65%	0.647	S	S	*	*			trans	-117.3	131.1	-172.1	-62.9	0	0	0	0	109.8	L7	L7-T9 PolarHBondContact O-N 3.48Å; L7-T9 VanDerWaalsContact O-N 3.12Å; L7-T9 PolarHBondContact O-OG1 3.05Å
10	L	91.3	Very high	82.2	Confident	175 Å²	175	115.3 Å²	115.3	92%	0.916	62%	0.622	S	S	*	*			trans	-75.6	143.6	172.1	-66.3	173.7	0	0	0	109.8
11	F	88.7	Confident	82.8	Confident	164 Å²	164	112.6 Å²	112.6	72%	0.719	61%	0.611	S	S	*	*			trans	-136.4	146	171.9	53.9	-86.4	0	0	0	109	S13	F11-S13 PolarHBondContact O-N 2.64Å
12	Y	87.3	Confident	84.5	Confident	183 Å²	183	102 Å²	102	72%	0.718	56%	0.558	S	S	*	*			trans	-62.1	132.2	170	-71.3	-67.3	0	0	0	109.3	S16	Y12-S16 WeakPolarHBondContact CD1-O 3.44Å
13	S	87.5	Confident	85.9	Confident	67 Å²	67	100.7 Å²	100.7	47%	0.469	55%	0.553	S	S	.	*			trans	-150.8	150.6	179	58.3	0	0	0	0	111.6	F11 K15 S16	F11-S13 PolarHBondContact O-N 2.64Å; S13-K15 PolarHBondContact O-N 2.95Å; S13-S16 PolarHBondContact N-OG 2.9Å; S13-S16 PolarHBondContact O-N 2.82Å; S13-S16 PolarHBondContact O-OG 3.35Å
14	G	86.4	Confident	86.9	Confident	71 Å²	71	102 Å²	102	73%	0.732	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	53.1	-133.9	-177.4	0	0	0	0	0	112	S16 N17	G14-S16 PolarHBondContact O-N 2.82Å; G14-N17 WeakPolarHBondContact O-CB 3.47Å; G14-N17 PolarHBondContact O-N 2.94Å; G14-N17 VanDerWaalsContact O-N 3.14Å
15	K	83.5	Confident	88.2	Confident	127 Å²	127	93.7 Å²	93.7	55%	0.552	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-61.5	-25.3	-177.5	-64.8	-174.1	179.4	-178.5	0	113.9	S13 N17 S18 P21 S26	S13-K15 PolarHBondContact O-N 2.95Å; K15-N17 PolarHBondContact O-N 3.01Å; K15-S18 WeakPolarHBondContact O-CB 3.49Å; K15-S18 PolarHBondContact O-N 2.61Å; K15-P21 WeakPolarHBondContact O-CB 3.48Å; K15-S26 VanDerWaalsContact NZ-CB 3.27Å
16	S	87.1	Confident	89.3	Confident	50 Å²	50	86.9 Å²	86.9	35%	0.35	50%	0.496	S	S	.	.	G	3₁₀ helix	trans	-68.1	-12.1	178.7	67.6	0	0	0	0	113.7	Y12 S13 G14 S18	Y12-S16 WeakPolarHBondContact CD1-O 3.44Å; S13-S16 PolarHBondContact N-OG 2.9Å; S13-S16 PolarHBondContact O-N 2.82Å; S13-S16 PolarHBondContact O-OG 3.35Å; G14-S16 PolarHBondContact O-N 2.82Å; S16-S18 VanDerWaalsContact C-N 3.31Å
17	N	90.9	Very high	90	Very high	116 Å²	116	90.9 Å²	90.9	62%	0.62	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-80.3	-11.3	175.1	-160.2	63.8	0	0	0	113.5	G14 K15	G14-N17 WeakPolarHBondContact O-CB 3.47Å; G14-N17 PolarHBondContact O-N 2.94Å; G14-N17 VanDerWaalsContact O-N 3.14Å; K15-N17 PolarHBondContact O-N 3.01Å
18	S	94.2	Very high	90.6	Very high	17 Å²	17	87.9 Å²	87.9	12%	0.119	50%	0.496	C	S	.	.	S	Bend	trans	-68.8	143.6	171.9	171.9	0	0	0	0	110	K15 S16 V20 P21 D274	K15-S18 WeakPolarHBondContact O-CB 3.49Å; K15-S18 PolarHBondContact O-N 2.61Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S18-V20 PolarHBondContact O-N 3.1Å; S18-V20 PolarHBondContact OG-N 3.29Å; S18-V20 PolarHBondContact OG-O 2.89Å; S18-P21 WeakPolarHBondContact O-CD 3.43Å; S18-D274 WeakPolarHBondContact CB-OD1 3.21Å; S18-D274 WeakPolarHBondContact OG-CA 3.44Å; S18-D274 PolarHBondContact OG-OD1 3.38Å
19	A	95.1	Very high	91.2	Very high	62 Å²	62	87.7 Å²	87.7	51%	0.512	48%	0.484	S	S	.	.	S	Bend	trans	-58.4	-28.4	171.5	0	0	0	0	0	112.3	D274	A19-D274 PolarHBondContact N-O 3.05Å
20	V	95.4	Very high	91.6	Very high	23 Å²	23	85.1 Å²	85.1	14%	0.139	47%	0.468	C	S	.	.	S	Bend	trans	-137.4	73.9	-176.8	-79.6	0	0	0	0	110	S18 G251 R273 L279	S18-V20 PolarHBondContact O-N 3.1Å; S18-V20 PolarHBondContact OG-N 3.29Å; S18-V20 PolarHBondContact OG-O 2.89Å; V20-G251 WeakPolarHBondContact CG1-O 3.45Å; V20-R273 HydrophobicContact CG2-CB 4.21Å; V20-R273 VanDerWaalsContact CG2-O 3.22Å; V20-R273 WeakPolarHBondContact CG2-O 3.33Å; V20-R273 VanDerWaalsContact O-CZ 3.28Å; V20-R273 PolarHBondContact O-NH1 2.88Å; V20-R273 PolarHBondContact O-NH2 3.01Å; V20-L279 HydrophobicContact CG1-CD1 4.09Å; V20-L279 HydrophobicContact CG1-CD2 4.12Å; V20-L279 HydrophobicContact CG2-CD2 3.58Å
21	P	94.7	Very high	91.9	Very high	59 Å²	59	80.2 Å²	80.2	38%	0.383	44%	0.442	S	S	.	.			trans	-65.3	136.3	-173.4	27.1	-34.7	0	0	0	112.3	K15 S18 I23	K15-P21 WeakPolarHBondContact O-CB 3.48Å; S18-P21 WeakPolarHBondContact O-CD 3.43Å; P21-I23 HydrophobicContact CB-CG1 4.46Å
22	I	93.3	Very high	92.4	Very high	18 Å²	18	76.7 Å²	76.7	9%	0.092	43%	0.434	C	S	.	.			trans	-99.8	107.5	175.3	-60.8	161.3	0	0	0	109.1	E25 L269	I22-E25 HydrophobicContact CG2-CB 3.97Å; I22-L269 HydrophobicContact CD1-CD2 3.51Å
23	I	85.6	Confident	93	Very high	130 Å²	130	68.1 Å²	68.1	67%	0.667	40%	0.401	S	S	*	.			trans	-105	-59.8	-175.3	-53.2	179.4	0	0	0	111	P21 E25 S26	P21-I23 HydrophobicContact CB-CG1 4.46Å; I23-E25 PolarHBondContact O-N 2.94Å; I23-S26 WeakPolarHBondContact O-CB 3.17Å; I23-S26 PolarHBondContact O-N 3.46Å; I23-S26 PolarHBondContact O-OG 3.17Å
24	S	87.2	Confident	93.5	Very high	79 Å²	79	71.6 Å²	71.6	55%	0.552	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-29.8	-175	38.5	0	0	0	0	114.3	T229	S24-T229 WeakPolarHBondContact OG-CG2 3.26Å
25	E	94.1	Very high	94.1	Very high	3 Å²	3	72.2 Å²	72.2	1%	0.014	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	17.1	-178.9	-56.3	85.1	-152.5	0	0	113.3	I22 I23 E27 L28 Y226 R254 L256	I22-E25 HydrophobicContact CG2-CB 3.97Å; I23-E25 PolarHBondContact O-N 2.94Å; E25-E27 PolarHBondContact O-N 3.08Å; E25-L28 HydrophobicContact CB-CD1 3.72Å; E25-L28 HydrophobicContact CB-CG 4.16Å; E25-L28 HydrophobicContact CG-CD1 4.1Å; E25-L28 PolarHBondContact O-N 3.43Å; E25-Y226 VanDerWaalsContact CG-OH 3.27Å; E25-Y226 WeakPolarHBondContact CG-OH 3.49Å; E25-Y226 PolarHBondContact OE1-OH 2.87Å; E25-R254 IonicContact OE2-CZ 3.11Å; E25-R254 IonicContact OE2-NH1 2.73Å; E25-R254 PolarHBondContact OE2-NH1 2.8Å; E25-R254 IonicContact OE2-NH2 3.52Å; E25-R254 PolarHBondContact OE2-NH2 2.79Å; E25-L256 HydrophobicContact CB-CD2 4.3Å; E25-L256 HydrophobicContact CG-CD1 4.34Å; E25-L256 HydrophobicContact CG-CD2 4.01Å
26	S	92.3	Very high	94.8	Very high	42 Å²	42	67.6 Å²	67.6	29%	0.294	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.7	-170.4	50.3	0	0	0	0	115.4	K15 I23	K15-S26 VanDerWaalsContact NZ-CB 3.27Å; I23-S26 WeakPolarHBondContact O-CB 3.17Å; I23-S26 PolarHBondContact O-N 3.46Å; I23-S26 PolarHBondContact O-OG 3.17Å
27	E	94.9	Very high	95.4	Very high	180 Å²	180	66.4 Å²	66.4	84%	0.841	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-1.3	-179.3	-60.1	-61.7	131.8	0	0	113.2	E25	E25-E27 PolarHBondContact O-N 3.08Å
28	L	97.4	Very high	95.7	Very high	34 Å²	34	65.4 Å²	65.4	18%	0.178	36%	0.361	C	S	.	.	S	Bend	trans	-69.4	148.9	176.8	-65	-177.8	0	0	0	111.2	E25 T30 L256 P264 Q267	E25-L28 HydrophobicContact CB-CD1 3.72Å; E25-L28 HydrophobicContact CB-CG 4.16Å; E25-L28 HydrophobicContact CG-CD1 4.1Å; E25-L28 PolarHBondContact O-N 3.43Å; L28-T30 PolarHBondContact O-N 2.9Å; L28-T30 PolarHBondContact O-OG1 2.91Å; L28-L256 HydrophobicContact CD1-CD2 3.97Å; L28-P264 HydrophobicContact CD1-CB 3.78Å; L28-P264 HydrophobicContact CD2-CB 4.03Å; L28-P264 HydrophobicContact CD2-CG 4.29Å; L28-Q267 HydrophobicContact CB-CB 4.44Å
29	Q	98.1	Very high	95.9	Very high	130 Å²	130	65.5 Å²	65.5	61%	0.607	36%	0.36	S	S	*	.			trans	-53	119.4	164.8	177.8	-179.8	83.5	0	0	108.8	G266 Q267	Q29-G266 CarbonylContact O-C 3.58Å; Q29-G266 WeakPolarHBondContact O-CA 3.26Å; Q29-Q267 PolarHBondContact O-N 2.85Å
30	T	98.4	Very high	96.1	Very high	57 Å²	57	64 Å²	64	35%	0.35	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130.8	-172.6	-61	0	0	0	0	110.1	L28 Q267 L269	L28-T30 PolarHBondContact O-N 2.9Å; L28-T30 PolarHBondContact O-OG1 2.91Å; T30-Q267 WeakPolarHBondContact CA-O 3.03Å; T30-Q267 HydrophobicContact CG2-CB 4.37Å; T30-Q267 HydrophobicContact CG2-CG 4.19Å; T30-Q267 PolarHBondContact OG1-NE2 3.4Å; T30-L269 HydrophobicContact CG2-CD1 3.69Å; T30-L269 HydrophobicContact CG2-CD2 4.21Å; T30-L269 HydrophobicContact CG2-CG 3.63Å
31	I	98.6	Very high	96.2	Very high	73 Å²	73	71.1 Å²	71.1	37%	0.374	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	159.2	171	60.1	174.1	0	0	0	109.7	Q267 I268 L269 V311	I31-Q267 PolarHBondContact N-O 2.74Å; I31-I268 HydrophobicContact CD1-CG1 4.23Å; I31-I268 HydrophobicContact CG1-CG1 4.03Å; I31-I268 CarbonylContact O-C 3.54Å; I31-I268 WeakPolarHBondContact O-CA 3.44Å; I31-L269 PolarHBondContact O-N 3.08Å; I31-V311 HydrophobicContact CD1-CB 3.81Å; I31-V311 HydrophobicContact CD1-CG1 3.77Å; I31-V311 HydrophobicContact CD1-CG2 4.31Å; I31-V311 HydrophobicContact CG1-CG1 4.36Å
32	T	98.7	Very high	96.4	Very high	89 Å²	89	74.3 Å²	74.3	55%	0.546	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.2	173.5	-57.5	0	0	0	0	109	L269 P271	T32-L269 WeakPolarHBondContact CA-O 3.36Å; T32-P271 HydrophobicContact CG2-CG 3.87Å
33	A	98.8	Very high	96.6	Very high	3 Å²	3	74.3 Å²	74.3	3%	0.025	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-71.8	152.1	178.8	0	0	0	0	0	112.3	I268 L269 I270 P271 Y309 V311	A33-I268 HydrophobicContact CB-CG2 3.86Å; A33-L269 PolarHBondContact N-O 2.87Å; A33-I270 HydrophobicContact CB-CD1 4.18Å; A33-P271 WeakPolarHBondContact O-CD 3.49Å; A33-P271 WeakPolarHBondContact O-CG 3.28Å; A33-Y309 HydrophobicContact CB-CD1 4.34Å; A33-Y309 HydrophobicContact CB-CG 4.47Å; A33-V311 HydrophobicContact CB-CG1 3.74Å
34	E	98.8	Very high	97.3	Very high	140 Å²	140	68.6 Å²	68.6	65%	0.654	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.5	175.3	-64.8	-171.7	167.7	0	0	110.7	W36 Y309 T310	E34-W36 PolarHBondContact O-N 3.46Å; E34-Y309 CarbonylContact O-C 3.5Å; E34-Y309 WeakPolarHBondContact O-CA 3.23Å; E34-T310 PolarHBondContact N-O 2.75Å; E34-T310 PolarHBondContact O-N 3.35Å
35	P	98.7	Very high	97.8	Very high	85 Å²	85	65.6 Å²	65.6	55%	0.552	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	131.6	169.2	-21.1	31.8	0	0	0	110.6	M307 Y309	P35-M307 HydrophobicContact CB-CE 4.44Å; P35-M307 HydrophobicContact CB-CG 4.46Å; P35-M307 HydrophobicContact CB-SD 4Å; P35-Y309 HydrophobicContact CB-CE1 4.35Å; P35-Y309 HydrophobicContact CG-CD1 4.39Å; P35-Y309 HydrophobicContact CG-CE1 3.99Å
36	W	98.7	Very high	98	Very high	30 Å²	30	65.5 Å²	65.5	11%	0.114	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-41.7	-176.4	-176.1	68.8	0	0	0	113.2	E34 L57 I70 P72 K75 I287 I294 L308 T310	E34-W36 PolarHBondContact O-N 3.46Å; W36-L57 HydrophobicContact CH2-CD2 4.41Å; W36-L57 HydrophobicContact CZ3-CD2 3.97Å; W36-I70 HydrophobicContact CH2-CG2 4.42Å; W36-P72 HydrophobicContact CH2-CB 4.03Å; W36-P72 HydrophobicContact CH2-CG 4.46Å; W36-P72 HydrophobicContact CZ2-CB 3.87Å; W36-K75 VanDerWaalsContact CE2-CE 3.45Å; W36-K75 HydrophobicContact CH2-CD 4.46Å; W36-K75 HydrophobicContact CZ2-CD 3.97Å; W36-K75 VanDerWaalsContact NE1-CE 3.34Å; W36-K75 PolarHBondContact O-NZ 2.95Å; W36-I287 HydrophobicContact CZ2-CD1 4.46Å; W36-I294 HydrophobicContact CD2-CD1 3.65Å; W36-I294 HydrophobicContact CE3-CD1 3.8Å; W36-I294 HydrophobicContact CE3-CG1 4.48Å; W36-I294 HydrophobicContact CE3-CG2 4.27Å; W36-I294 HydrophobicContact CG-CD1 4.09Å; W36-I294 HydrophobicContact CH2-CD1 4.32Å; W36-I294 HydrophobicContact CZ2-CD1 4.19Å; W36-I294 HydrophobicContact CZ3-CD1 4.13Å; W36-I294 HydrophobicContact CZ3-CG1 4.42Å; W36-I294 HydrophobicContact CZ3-CG2 4.4Å; W36-L308 WeakPolarHBondContact CA-O 3.41Å; W36-L308 WeakPolarHBondContact CB-O 3.46Å; W36-L308 HydrophobicContact CE3-CB 3.77Å; W36-L308 HydrophobicContact CE3-CD1 3.79Å; W36-L308 HydrophobicContact CE3-CG 4.44Å; W36-L308 HydrophobicContact CZ3-CB 4.48Å; W36-L308 HydrophobicContact CZ3-CD1 3.63Å; W36-L308 PolarHBondContact N-O 2.83Å; W36-T310 HydrophobicContact CB-CG2 3.95Å; W36-T310 HydrophobicContact CG-CG2 4.15Å
37	L	98.7	Very high	98.4	Very high	25 Å²	25	63.8 Å²	63.8	13%	0.131	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.5	123.2	-178.8	-176.6	54.9	0	0	0	112	I39 I70 K75 I77 L308	L37-I39 HydrophobicContact CD2-CD1 4.25Å; L37-I39 HydrophobicContact CG-CD1 4.22Å; L37-I39 PolarHBondContact O-N 2.99Å; L37-I70 HydrophobicContact CD2-CD1 3.96Å; L37-I70 HydrophobicContact CD2-CG2 3.62Å; L37-K75 HydrophobicContact CD1-CB 3.98Å; L37-K75 HydrophobicContact CD2-CB 4.39Å; L37-K75 HydrophobicContact CD2-CD 4.42Å; L37-I77 HydrophobicContact CD1-CD1 4.1Å; L37-I77 HydrophobicContact CD2-CD1 4.05Å; L37-I77 HydrophobicContact CD2-CG1 3.92Å; L37-I77 HydrophobicContact CG-CD1 4.04Å; L37-I77 HydrophobicContact CG-CG1 4.45Å; L37-L308 HydrophobicContact CB-CB 4.4Å; L37-L308 PolarHBondContact N-O 2.89Å; L37-L308 PolarHBondContact O-N 2.88Å
38	E	98.8	Very high	98.5	Very high	95 Å²	95	55.2 Å²	55.2	44%	0.444	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.9	170.1	-175.6	179.6	93.1	0	0	109.2	K41 M307	E38-K41 WeakPolarHBondContact OE1-CE 3.43Å; E38-K41 WeakPolarHBondContact OE1-CG 3.36Å; E38-M307 HydrophobicContact CB-CE 3.75Å; E38-M307 HydrophobicContact CB-SD 4.28Å; E38-M307 HydrophobicContact CG-CE 4.26Å; E38-M307 PolarHBondContact N-SD 2.75Å
39	I	98.8	Very high	98.6	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.097	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	-39.3	178.5	-59.2	-59.6	0	0	0	110.7	L37 L46 F68 I70 I77 S306 L308	L37-I39 HydrophobicContact CD2-CD1 4.25Å; L37-I39 HydrophobicContact CG-CD1 4.22Å; L37-I39 PolarHBondContact O-N 2.99Å; I39-L46 HydrophobicContact CB-CD1 4.07Å; I39-L46 HydrophobicContact CB-CD2 4.42Å; I39-L46 HydrophobicContact CG1-CD1 3.76Å; I39-L46 HydrophobicContact CG2-CD1 4.47Å; I39-L46 HydrophobicContact CG2-CD2 3.94Å; I39-F68 HydrophobicContact CG2-CE2 4.42Å; I39-F68 HydrophobicContact CG2-CZ 4.35Å; I39-I70 HydrophobicContact CD1-CD1 3.4Å; I39-I77 HydrophobicContact CD1-CD1 4.06Å; I39-S306 PolarHBondContact N-O 3.31Å; I39-L308 HydrophobicContact CD1-CD1 3.83Å; I39-L308 HydrophobicContact CD1-CG 3.89Å; I39-L308 HydrophobicContact CG1-CD1 4.32Å; I39-L308 HydrophobicContact CG1-CD2 4.38Å; I39-L308 HydrophobicContact CG1-CG 3.84Å
40	S	98.5	Very high	98.7	Very high	31 Å²	31	47.6 Å²	47.6	22%	0.217	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	145.1	-178.8	-179.1	0	0	0	0	110.9	K42 G305 S306	S40-K42 VanDerWaalsContact CB-O 3.31Å; S40-K42 WeakPolarHBondContact CB-O 3.38Å; S40-K42 PolarHBondContact O-N 2.57Å; S40-K42 PolarHBondContact OG-N 3.41Å; S40-K42 PolarHBondContact OG-O 3.28Å; S40-K42 VanDerWaalsContact OG-O 3.09Å; S40-G305 CarbonylContact O-C 3.59Å; S40-G305 VanDerWaalsContact O-CA 3.26Å; S40-G305 WeakPolarHBondContact O-CA 3.43Å; S40-S306 PolarHBondContact N-O 2.74Å; S40-S306 PolarHBondContact O-N 3.33Å
41	K	98	Very high	98.7	Very high	172 Å²	172	45 Å²	45	75%	0.748	23%	0.229	S	C	*	.	S	Bend	trans	-74.8	-14.5	168.5	-66.7	-174.3	177.8	-176.4	0	113	E38	E38-K41 WeakPolarHBondContact OE1-CE 3.43Å; E38-K41 WeakPolarHBondContact OE1-CG 3.36Å
42	K	97.7	Very high	98.7	Very high	126 Å²	126	41.8 Å²	41.8	55%	0.548	21%	0.213	S	C	.	.	S	Bend	trans	-96.2	146.7	171.2	-177.6	-171.8	171.6	-167.3	0	108.7	S40 L44 E64 G304 S306	S40-K42 VanDerWaalsContact CB-O 3.31Å; S40-K42 WeakPolarHBondContact CB-O 3.38Å; S40-K42 PolarHBondContact O-N 2.57Å; S40-K42 PolarHBondContact OG-N 3.41Å; S40-K42 PolarHBondContact OG-O 3.28Å; S40-K42 VanDerWaalsContact OG-O 3.09Å; K42-L44 PolarHBondContact O-N 2.88Å; K42-E64 IonicContact NZ-OE1 3.78Å; K42-E64 PolarHBondContact NZ-OE1 3.44Å; K42-G304 CarbonylContact C-O 3.23Å; K42-S306 PolarHBondContact O-OG 3.24Å
43	G	98.5	Very high	98.7	Very high	17 Å²	17	42.5 Å²	42.5	18%	0.175	21%	0.206	C	C	.	.			trans	-64.8	119.8	170.1	0	0	0	0	0	111.7	I300 G304	G43-I300 VanDerWaalsContact C-CG1 3.49Å; G43-I300 VanDerWaalsContact CA-CG1 3.46Å; G43-G304 WeakPolarHBondContact CA-O 3.33Å; G43-G304 PolarHBondContact N-O 3.13Å
44	L	98.9	Very high	98.6	Very high	11 Å²	11	48.9 Å²	48.9	6%	0.058	24%	0.235	C	C	.	.			trans	-124.7	136.2	173.4	-64.9	179.2	0	0	0	106.7	K42 L46 D61 E64 F68 N298 S306	K42-L44 PolarHBondContact O-N 2.88Å; L44-L46 HydrophobicContact CB-CD2 4.08Å; L44-L46 PolarHBondContact O-N 2.8Å; L44-D61 HydrophobicContact CB-CB 3.83Å; L44-E64 HydrophobicContact CD2-CG 4.08Å; L44-F68 HydrophobicContact CD1-CE2 4.44Å; L44-F68 HydrophobicContact CD1-CZ 4.02Å; L44-N298 WeakPolarHBondContact O-CB 3.43Å; L44-N298 VanDerWaalsContact O-CG 3.25Å; L44-N298 PolarHBondContact O-ND2 3.4Å; L44-S306 WeakPolarHBondContact CA-OG 3.36Å; L44-S306 WeakPolarHBondContact CB-OG 3.31Å; L44-S306 PolarHBondContact N-OG 2.94Å; L44-S306 PolarHBondContact O-OG 3.02Å
45	Q	98.9	Very high	98.6	Very high	16 Å²	16	43 Å²	43	8%	0.075	21%	0.212	C	C	.	.			trans	-78	79.4	179.5	-174.5	79.2	-12.3	0	0	109.2	D61 V62 F63 Y250 R280 N298 I300	Q45-D61 CarbonylContact O-C 3.38Å; Q45-D61 WeakPolarHBondContact O-CA 3.22Å; Q45-V62 HydrophobicContact CB-CB 4.08Å; Q45-V62 HydrophobicContact CB-CG2 4.3Å; Q45-V62 HydrophobicContact CG-CB 3.94Å; Q45-V62 HydrophobicContact CG-CG2 3.77Å; Q45-V62 PolarHBondContact O-N 2.86Å; Q45-F63 HydrophobicContact CB-CD2 3.57Å; Q45-F63 HydrophobicContact CB-CE2 3.43Å; Q45-F63 VanDerWaalsContact CB-CE2 3.43Å; Q45-F63 HydrophobicContact CB-CG 4.19Å; Q45-F63 HydrophobicContact CB-CZ 3.93Å; Q45-F63 HydrophobicContact CG-CD2 4.39Å; Q45-F63 HydrophobicContact CG-CE1 4.41Å; Q45-F63 HydrophobicContact CG-CE2 3.82Å; Q45-F63 HydrophobicContact CG-CZ 3.82Å; Q45-Y250 PolarHBondContact NE2-OH 2.9Å; Q45-Y250 VanDerWaalsContact NE2-OH 3.07Å; Q45-R280 VanDerWaalsContact OE1-CD 3.3Å; Q45-N298 PolarHBondContact OE1-ND2 2.61Å; Q45-N298 VanDerWaalsContact OE1-ND2 3.08Å; Q45-I300 HydrophobicContact CB-CD1 4.23Å
46	L	98.9	Very high	98.6	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	141.2	-178.7	-58.4	-176.7	0	0	0	111.3	I39 L44 L59 L60 D61 T282 C296 L308	I39-L46 HydrophobicContact CB-CD1 4.07Å; I39-L46 HydrophobicContact CB-CD2 4.42Å; I39-L46 HydrophobicContact CG1-CD1 3.76Å; I39-L46 HydrophobicContact CG2-CD1 4.47Å; I39-L46 HydrophobicContact CG2-CD2 3.94Å; L44-L46 HydrophobicContact CB-CD2 4.08Å; L44-L46 PolarHBondContact O-N 2.8Å; L46-L59 HydrophobicContact CD1-CD1 4.42Å; L46-L59 HydrophobicContact CD2-CD1 4.27Å; L46-L60 WeakPolarHBondContact CA-O 3.48Å; L46-D61 HydrophobicContact CD2-CB 4.3Å; L46-T282 PolarHBondContact O-OG1 3.43Å; L46-C296 HydrophobicContact CB-CB 3.8Å; L46-C296 HydrophobicContact CD1-CB 4.23Å; L46-L308 HydrophobicContact CD1-CD2 4.19Å
47	E	98.8	Very high	98.6	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	177.3	178.6	-139.7	-47.2	115.7	0	0	107.9	L60 V62 A89 S236 H283	E47-L60 HydrophobicContact CB-CD1 3.99Å; E47-L60 PolarHBondContact N-O 3.48Å; E47-L60 PolarHBondContact O-N 3.04Å; E47-V62 HydrophobicContact CB-CG2 4.05Å; E47-V62 HydrophobicContact CG-CG2 4.48Å; E47-A89 WeakPolarHBondContact CB-O 3.07Å; E47-A89 VanDerWaalsContact CG-O 3.31Å; E47-A89 WeakPolarHBondContact CG-O 3.47Å; E47-S236 WeakPolarHBondContact OE1-CB 3.13Å; E47-S236 PolarHBondContact OE1-OG 2.97Å; E47-H283 VanDerWaalsContact CD-ND1 3.27Å; E47-H283 WeakPolarHBondContact OE1-CB 3.17Å; E47-H283 IonicContact OE1-CG 2.69Å; E47-H283 IonicContact OE1-ND1 3.3Å; E47-H283 PolarHBondContact OE1-ND1 2.99Å; E47-H283 IonicContact OE2-CE1 3.78Å; E47-H283 IonicContact OE2-CG 2.8Å; E47-H283 IonicContact OE2-ND1 3.92Å; E47-H283 PolarHBondContact OE2-ND1 3.39Å
48	G	98.9	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.3	31.5	159.7	0	0	0	0	0	114	N50 A89	G48-N50 PolarHBondContact O-N 2.98Å; G48-A89 PolarHBondContact N-O 2.86Å
49	L	98.9	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	122	179.8	-62.6	179.8	0	0	0	110.7	L57 F58 L59 H283 Q285 I294 C296 L308	L49-L57 HydrophobicContact CB-CD1 4.21Å; L49-L57 HydrophobicContact CD2-CD1 4.01Å; L49-L57 HydrophobicContact CD2-CD2 4.22Å; L49-F58 CarbonylContact C-O 3.59Å; L49-F58 WeakPolarHBondContact CA-O 3.42Å; L49-L59 HydrophobicContact CD2-CB 3.74Å; L49-L59 HydrophobicContact CD2-CD1 3.97Å; L49-L59 HydrophobicContact CD2-CG 4.43Å; L49-H283 HydrophobicContact CB-CB 4.38Å; L49-H283 HydrophobicContact CD1-CB 4.14Å; L49-H283 WeakPolarHBondContact CD1-O 3.36Å; L49-H283 HydrophobicContact CG-CB 4Å; L49-Q285 HydrophobicContact CB-CB 3.56Å; L49-Q285 HydrophobicContact CB-CG 4.23Å; L49-Q285 HydrophobicContact CD1-CB 4.08Å; L49-Q285 VanDerWaalsContact O-CD 3.25Å; L49-Q285 WeakPolarHBondContact O-CG 3.21Å; L49-I294 HydrophobicContact CD1-CB 4.46Å; L49-I294 HydrophobicContact CD1-CG2 4.07Å; L49-C296 HydrophobicContact CD1-CB 4.28Å; L49-C296 HydrophobicContact CD2-CB 4.19Å; L49-C296 HydrophobicContact CG-CB 4.35Å; L49-L308 HydrophobicContact CD2-CD2 4.06Å
50	N	99	Very high	98.7	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	137.6	175.3	-150.3	-116.5	0	0	0	112.2	G48 F58 I91 I93 Q285	G48-N50 PolarHBondContact O-N 2.98Å; N50-F58 PolarHBondContact N-O 2.84Å; N50-F58 WeakPolarHBondContact O-CA 3.43Å; N50-F58 WeakPolarHBondContact O-CB 3.46Å; N50-F58 PolarHBondContact O-N 3.37Å; N50-I91 HydrophobicContact CB-CB 4.49Å; N50-I91 HydrophobicContact CB-CG2 4.48Å; N50-I91 VanDerWaalsContact CB-O 3.24Å; N50-I91 WeakPolarHBondContact CB-O 3.17Å; N50-I93 HydrophobicContact CB-CD1 4.49Å; N50-I93 WeakPolarHBondContact OD1-CB 3.42Å; N50-I93 WeakPolarHBondContact OD1-CG1 3.39Å; N50-I93 PolarHBondContact OD1-N 3.3Å; N50-Q285 PolarHBondContact ND2-OE1 3.31Å; N50-Q285 VanDerWaalsContact ND2-OE1 3.16Å
51	F	98.9	Very high	98.7	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.1	-177.9	-70.5	-96.9	0	0	0	111.9	G55 Q56 L57 P72 Q285 F286 I287 P288 I294 Q322 F323	F51-G55 WeakPolarHBondContact CD1-O 3.2Å; F51-Q56 VanDerWaalsContact CA-O 3.29Å; F51-Q56 WeakPolarHBondContact CA-O 3.36Å; F51-L57 HydrophobicContact CD1-CB 3.96Å; F51-L57 HydrophobicContact CD1-CD1 4.45Å; F51-L57 HydrophobicContact CD2-CD1 4.09Å; F51-L57 HydrophobicContact CE1-CB 3.59Å; F51-L57 HydrophobicContact CE1-CD1 4.14Å; F51-L57 HydrophobicContact CE1-CG 4.36Å; F51-L57 HydrophobicContact CE2-CD1 3.72Å; F51-L57 HydrophobicContact CG-CD1 4.43Å; F51-L57 HydrophobicContact CZ-CB 3.99Å; F51-L57 HydrophobicContact CZ-CD1 3.74Å; F51-L57 HydrophobicContact CZ-CD2 4.44Å; F51-L57 HydrophobicContact CZ-CG 4.27Å; F51-P72 HydrophobicContact CE1-CG 3.94Å; F51-Q285 HydrophobicContact CD2-CG 3.92Å; F51-Q285 HydrophobicContact CE2-CB 4.22Å; F51-Q285 HydrophobicContact CE2-CG 4.03Å; F51-F286 WeakPolarHBondContact CD2-O 3.42Å; F51-F286 WeakPolarHBondContact CE2-O 3.25Å; F51-I287 HydrophobicContact CE1-CB 4.42Å; F51-I287 HydrophobicContact CE1-CG1 3.97Å; F51-I287 HydrophobicContact CZ-CB 4.27Å; F51-I287 HydrophobicContact CZ-CG1 3.64Å; F51-P288 HydrophobicContact CB-CG 3.51Å; F51-P288 HydrophobicContact CD1-CG 4.23Å; F51-P288 VanDerWaalsContact CG-CD 3.47Å; F51-P288 HydrophobicContact CG-CG 3.88Å; F51-I294 HydrophobicContact CZ-CG1 4.2Å; F51-Q322 WeakPolarHBondContact O-CG 3.31Å; F51-Q322 PolarHBondContact O-NE2 3.09Å; F51-F323 HydrophobicContact CB-CZ 3.94Å; F51-F323 WeakPolarHBondContact O-CZ 3.17Å
52	D	98.8	Very high	98.7	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.037	11%	0.114	C	C	.	.			trans	-77.6	173.9	170.4	74.7	14.4	0	0	0	112	Q54 G55 Q56 F58 K69 I93 F323	D52-Q54 PolarHBondContact O-N 3.14Å; D52-Q54 VanDerWaalsContact O-N 3.15Å; D52-Q54 VanDerWaalsContact OD1-C 3.25Å; D52-Q54 VanDerWaalsContact OD1-CA 3.28Å; D52-Q54 WeakPolarHBondContact OD1-CA 3.34Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.22Å; D52-Q54 PolarHBondContact OD1-N 2.8Å; D52-G55 PolarHBondContact O-N 2.83Å; D52-G55 PolarHBondContact OD1-N 2.91Å; D52-Q56 PolarHBondContact N-O 2.84Å; D52-Q56 PolarHBondContact OD1-N 2.95Å; D52-Q56 WeakPolarHBondContact OD2-CB 3.35Å; D52-Q56 WeakPolarHBondContact OD2-CG 3.46Å; D52-F58 HydrophobicContact CB-CD2 4.39Å; D52-F58 HydrophobicContact CB-CE2 4.02Å; D52-K69 IonicContact OD2-NZ 2.76Å; D52-I93 HydrophobicContact CB-CD1 3.87Å; D52-F323 WeakPolarHBondContact O-CE1 3.42Å
53	R	98.2	Very high	98.8	Very high	104 Å²	104	23.1 Å²	23.1	39%	0.392	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.9	178.5	-78.8	-177.4	-162.6	-75.9	-13.4	114.1	K95 Q322 Q324	R53-K95 PolarHBondContact NE-O 2.83Å; R53-K95 VanDerWaalsContact NH2-C 3.3Å; R53-K95 PolarHBondContact NH2-O 2.86Å; R53-Q322 WeakPolarHBondContact CG-O 3.26Å; R53-Q322 PolarHBondContact NE-O 2.63Å; R53-Q322 PolarHBondContact NH1-O 2.78Å; R53-Q322 PolarHBondContact NH2-O 3.5Å; R53-Q322 VanDerWaalsContact NH2-O 3.08Å; R53-Q324 PolarHBondContact NH1-O 2.98Å; R53-Q324 PolarHBondContact NH2-O 3.02Å
54	Q	98.3	Very high	98.8	Very high	136 Å²	136	26.6 Å²	26.6	64%	0.636	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.4	6.9	178.6	-66.8	72.8	35.2	0	0	111.5	D52 Q56	D52-Q54 PolarHBondContact O-N 3.14Å; D52-Q54 VanDerWaalsContact O-N 3.15Å; D52-Q54 VanDerWaalsContact OD1-C 3.25Å; D52-Q54 VanDerWaalsContact OD1-CA 3.28Å; D52-Q54 WeakPolarHBondContact OD1-CA 3.34Å; D52-Q54 WeakPolarHBondContact OD1-CB 3.22Å; D52-Q54 PolarHBondContact OD1-N 2.8Å; Q54-Q56 HydrophobicContact CB-CG 4.22Å; Q54-Q56 PolarHBondContact O-N 3.08Å; Q54-Q56 PolarHBondContact O-NE2 3.14Å
55	G	98.5	Very high	98.8	Very high	17 Å²	17	26.3 Å²	26.3	18%	0.175	12%	0.124	C	C	.	.			trans	70.1	19.1	-179.4	0	0	0	0	0	113.3	F51 D52 P72	F51-G55 WeakPolarHBondContact CD1-O 3.2Å; D52-G55 PolarHBondContact O-N 2.83Å; D52-G55 PolarHBondContact OD1-N 2.91Å; G55-P72 VanDerWaalsContact O-CD 3.31Å; G55-P72 WeakPolarHBondContact O-CD 3.4Å; G55-P72 WeakPolarHBondContact O-CG 3.4Å
56	Q	98.8	Very high	98.8	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.182	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-81.1	136.1	172	-46.2	-58.2	-72.8	0	0	109	F51 D52 Q54 K69 N71	F51-Q56 VanDerWaalsContact CA-O 3.29Å; F51-Q56 WeakPolarHBondContact CA-O 3.36Å; D52-Q56 PolarHBondContact N-O 2.84Å; D52-Q56 PolarHBondContact OD1-N 2.95Å; D52-Q56 WeakPolarHBondContact OD2-CB 3.35Å; D52-Q56 WeakPolarHBondContact OD2-CG 3.46Å; Q54-Q56 HydrophobicContact CB-CG 4.22Å; Q54-Q56 PolarHBondContact O-N 3.08Å; Q54-Q56 PolarHBondContact O-NE2 3.14Å; Q56-K69 HydrophobicContact CB-CG 4.35Å; Q56-N71 VanDerWaalsContact OE1-CA 3.32Å; Q56-N71 VanDerWaalsContact OE1-CB 3.3Å; Q56-N71 PolarHBondContact OE1-ND2 3.34Å
57	L	98.9	Very high	98.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	125.2	179.6	172.2	63.7	0	0	0	109.8	W36 L49 F51 L59 K69 I70 I294 L308	W36-L57 HydrophobicContact CH2-CD2 4.41Å; W36-L57 HydrophobicContact CZ3-CD2 3.97Å; L49-L57 HydrophobicContact CB-CD1 4.21Å; L49-L57 HydrophobicContact CD2-CD1 4.01Å; L49-L57 HydrophobicContact CD2-CD2 4.22Å; F51-L57 HydrophobicContact CD1-CB 3.96Å; F51-L57 HydrophobicContact CD1-CD1 4.45Å; F51-L57 HydrophobicContact CD2-CD1 4.09Å; F51-L57 HydrophobicContact CE1-CB 3.59Å; F51-L57 HydrophobicContact CE1-CD1 4.14Å; F51-L57 HydrophobicContact CE1-CG 4.36Å; F51-L57 HydrophobicContact CE2-CD1 3.72Å; F51-L57 HydrophobicContact CG-CD1 4.43Å; F51-L57 HydrophobicContact CZ-CB 3.99Å; F51-L57 HydrophobicContact CZ-CD1 3.74Å; F51-L57 HydrophobicContact CZ-CD2 4.44Å; F51-L57 HydrophobicContact CZ-CG 4.27Å; L57-L59 HydrophobicContact CG-CD2 4.45Å; L57-K69 CarbonylContact O-C 3.28Å; L57-K69 WeakPolarHBondContact O-CA 3.03Å; L57-I70 HydrophobicContact CB-CB 4.17Å; L57-I70 HydrophobicContact CD2-CD1 4.32Å; L57-I70 PolarHBondContact N-O 3.25Å; L57-I70 PolarHBondContact O-N 3.45Å; L57-I294 HydrophobicContact CD2-CG2 4.38Å; L57-L308 HydrophobicContact CD2-CD1 3.67Å
58	F	99	Very high	98.8	Very high	1 Å²	1	26.9 Å²	26.9	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	147.8	162.2	-73.8	-96	0	0	0	110.4	L49 N50 D52 I67 F68 K69 I91 I93 L99 E118	L49-F58 CarbonylContact C-O 3.59Å; L49-F58 WeakPolarHBondContact CA-O 3.42Å; N50-F58 PolarHBondContact N-O 2.84Å; N50-F58 WeakPolarHBondContact O-CA 3.43Å; N50-F58 WeakPolarHBondContact O-CB 3.46Å; N50-F58 PolarHBondContact O-N 3.37Å; D52-F58 HydrophobicContact CB-CD2 4.39Å; D52-F58 HydrophobicContact CB-CE2 4.02Å; F58-I67 HydrophobicContact CD1-CG2 4.28Å; F58-F68 VanDerWaalsContact CA-O 3.31Å; F58-F68 WeakPolarHBondContact CA-O 3.46Å; F58-F68 WeakPolarHBondContact CD1-O 3.46Å; F58-K69 HydrophobicContact CD1-CB 4.12Å; F58-K69 HydrophobicContact CD1-CG 4.4Å; F58-K69 HydrophobicContact CD2-CG 4.46Å; F58-K69 HydrophobicContact CE1-CB 3.79Å; F58-K69 HydrophobicContact CE1-CD 3.94Å; F58-K69 HydrophobicContact CE1-CG 3.9Å; F58-K69 HydrophobicContact CE2-CD 3.96Å; F58-K69 HydrophobicContact CE2-CG 3.95Å; F58-K69 HydrophobicContact CZ-CB 4.11Å; F58-K69 HydrophobicContact CZ-CD 3.41Å; F58-K69 VanDerWaalsContact CZ-CD 3.41Å; F58-K69 HydrophobicContact CZ-CG 3.67Å; F58-I91 HydrophobicContact CB-CD1 4.18Å; F58-I93 HydrophobicContact CD2-CD1 3.81Å; F58-I93 HydrophobicContact CE2-CD1 4.38Å; F58-I93 HydrophobicContact CG-CD1 4.43Å; F58-L99 HydrophobicContact CD1-CD2 3.64Å; F58-L99 HydrophobicContact CE1-CD2 3.83Å; F58-L99 HydrophobicContact CG-CD2 4.21Å; F58-L99 HydrophobicContact CZ-CD1 4.49Å; F58-E118 HydrophobicContact CE1-CB 3.92Å; F58-E118 HydrophobicContact CZ-CB 3.59Å
59	L	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	175.4	172	75.9	162.6	0	0	0	109	L46 L49 L57 F68 I70 L308	L46-L59 HydrophobicContact CD1-CD1 4.42Å; L46-L59 HydrophobicContact CD2-CD1 4.27Å; L49-L59 HydrophobicContact CD2-CB 3.74Å; L49-L59 HydrophobicContact CD2-CD1 3.97Å; L49-L59 HydrophobicContact CD2-CG 4.43Å; L57-L59 HydrophobicContact CG-CD2 4.45Å; L59-F68 HydrophobicContact CD2-CB 3.49Å; L59-F68 VanDerWaalsContact CD2-CB 3.49Å; L59-F68 HydrophobicContact CD2-CG 4.37Å; L59-F68 HydrophobicContact CG-CB 4.03Å; L59-F68 HydrophobicContact CG-CD2 4.22Å; L59-F68 PolarHBondContact N-O 2.67Å; L59-F68 PolarHBondContact O-N 2.8Å; L59-I70 HydrophobicContact CD2-CD1 3.44Å; L59-I70 VanDerWaalsContact CD2-CD1 3.44Å; L59-I70 HydrophobicContact CD2-CG1 3.98Å; L59-L308 HydrophobicContact CD1-CD1 4.43Å; L59-L308 HydrophobicContact CD1-CD2 3.99Å
60	L	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	173.9	176	56.5	73.9	0	0	0	112.1	L46 E47 V62 N66 I67 P88 A89 I91 V101	L46-L60 WeakPolarHBondContact CA-O 3.48Å; E47-L60 HydrophobicContact CB-CD1 3.99Å; E47-L60 PolarHBondContact N-O 3.48Å; E47-L60 PolarHBondContact O-N 3.04Å; L60-V62 HydrophobicContact CD1-CG2 4.49Å; L60-N66 CarbonylContact C-O 3.5Å; L60-N66 WeakPolarHBondContact CA-O 3.31Å; L60-N66 WeakPolarHBondContact CB-O 3.48Å; L60-I67 HydrophobicContact CB-CD1 3.61Å; L60-I67 HydrophobicContact CD2-CD1 3.82Å; L60-I67 HydrophobicContact CG-CD1 4.41Å; L60-P88 HydrophobicContact CD1-CG 4.46Å; L60-P88 VanDerWaalsContact CD1-O 3.28Å; L60-P88 WeakPolarHBondContact CD1-O 3.11Å; L60-P88 HydrophobicContact CD2-CB 3.74Å; L60-P88 HydrophobicContact CD2-CG 4.09Å; L60-A89 WeakPolarHBondContact CD1-O 3.38Å; L60-I91 HydrophobicContact CB-CD1 4.22Å; L60-I91 HydrophobicContact CD2-CD1 4.04Å; L60-I91 HydrophobicContact CD2-CG1 3.62Å; L60-I91 HydrophobicContact CG-CD1 4.25Å; L60-I91 HydrophobicContact CG-CG1 4.19Å; L60-V101 HydrophobicContact CD2-CG1 4.1Å
61	D	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	139.2	160.2	82.9	-89.3	0	0	0	111.4	L44 Q45 L46 E64 G65 N66 F68	L44-D61 HydrophobicContact CB-CB 3.83Å; Q45-D61 CarbonylContact O-C 3.38Å; Q45-D61 WeakPolarHBondContact O-CA 3.22Å; L46-D61 HydrophobicContact CD2-CB 4.3Å; D61-E64 WeakPolarHBondContact OD2-CA 3.14Å; D61-E64 WeakPolarHBondContact OD2-CB 3.11Å; D61-E64 PolarHBondContact OD2-N 3.32Å; D61-G65 WeakPolarHBondContact O-CA 3.47Å; D61-G65 PolarHBondContact O-N 2.79Å; D61-N66 PolarHBondContact N-O 2.7Å; D61-N66 VanDerWaalsContact N-O 3.14Å; D61-N66 WeakPolarHBondContact OD1-CB 3.46Å; D61-N66 PolarHBondContact OD1-N 3.44Å; D61-N66 VanDerWaalsContact OD1-N 3.1Å; D61-N66 PolarHBondContact OD1-ND2 3.45Å; D61-F68 HydrophobicContact CB-CE2 4.39Å
62	V	98.9	Very high	98.8	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-48.4	-171.5	-178	0	0	0	0	111.7	Q45 E47 L60 N87 P88	Q45-V62 HydrophobicContact CB-CB 4.08Å; Q45-V62 HydrophobicContact CB-CG2 4.3Å; Q45-V62 HydrophobicContact CG-CB 3.94Å; Q45-V62 HydrophobicContact CG-CG2 3.77Å; Q45-V62 PolarHBondContact O-N 2.86Å; E47-V62 HydrophobicContact CB-CG2 4.05Å; E47-V62 HydrophobicContact CG-CG2 4.48Å; L60-V62 HydrophobicContact CD1-CG2 4.49Å; V62-N87 HydrophobicContact CG1-CB 3.88Å; V62-N87 WeakPolarHBondContact O-CA 3.21Å; V62-P88 VanDerWaalsContact CA-O 3.31Å; V62-P88 WeakPolarHBondContact CA-O 3.34Å; V62-P88 WeakPolarHBondContact CG2-O 3.37Å; V62-P88 WeakPolarHBondContact O-CD 3.31Å
63	F	98.6	Very high	98.7	Very high	116 Å²	116	39.2 Å²	39.2	51%	0.509	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-32	-165.1	-55	-38.5	0	0	0	114	Q45 I300	Q45-F63 HydrophobicContact CB-CD2 3.57Å; Q45-F63 HydrophobicContact CB-CE2 3.43Å; Q45-F63 VanDerWaalsContact CB-CE2 3.43Å; Q45-F63 HydrophobicContact CB-CG 4.19Å; Q45-F63 HydrophobicContact CB-CZ 3.93Å; Q45-F63 HydrophobicContact CG-CD2 4.39Å; Q45-F63 HydrophobicContact CG-CE1 4.41Å; Q45-F63 HydrophobicContact CG-CE2 3.82Å; Q45-F63 HydrophobicContact CG-CZ 3.82Å; F63-I300 HydrophobicContact CD2-CD1 4.44Å; F63-I300 HydrophobicContact CE2-CD1 4.25Å
64	E	98.7	Very high	98.7	Very high	89 Å²	89	38.5 Å²	38.5	42%	0.416	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-15.1	173.5	-53.6	-169.6	167.8	0	0	112.4	K42 L44 D61 N66	K42-E64 IonicContact NZ-OE1 3.78Å; K42-E64 PolarHBondContact NZ-OE1 3.44Å; L44-E64 HydrophobicContact CD2-CG 4.08Å; D61-E64 WeakPolarHBondContact OD2-CA 3.14Å; D61-E64 WeakPolarHBondContact OD2-CB 3.11Å; D61-E64 PolarHBondContact OD2-N 3.32Å; E64-N66 VanDerWaalsContact C-N 3.28Å; E64-N66 WeakPolarHBondContact CB-ND2 3.47Å; E64-N66 PolarHBondContact O-N 2.91Å; E64-N66 PolarHBondContact OE2-ND2 3.48Å
65	G	98.8	Very high	98.7	Very high	5 Å²	5	35.6 Å²	35.6	5%	0.052	18%	0.179	C	C	.	.			trans	71.5	18	175.4	0	0	0	0	0	113.9	D61 I67 V82 S83	D61-G65 WeakPolarHBondContact O-CA 3.47Å; D61-G65 PolarHBondContact O-N 2.79Å; G65-I67 PolarHBondContact O-N 3.33Å; G65-V82 CarbonylContact O-C 3.53Å; G65-V82 WeakPolarHBondContact O-CA 3.29Å; G65-S83 PolarHBondContact O-N 3.04Å
66	N	98.9	Very high	98.7	Very high	16 Å²	16	39.2 Å²	39.2	9%	0.086	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.3	178.3	-60.1	-75.7	0	0	0	109.6	L60 D61 E64 F68 R79	L60-N66 CarbonylContact C-O 3.5Å; L60-N66 WeakPolarHBondContact CA-O 3.31Å; L60-N66 WeakPolarHBondContact CB-O 3.48Å; D61-N66 PolarHBondContact N-O 2.7Å; D61-N66 VanDerWaalsContact N-O 3.14Å; D61-N66 WeakPolarHBondContact OD1-CB 3.46Å; D61-N66 PolarHBondContact OD1-N 3.44Å; D61-N66 VanDerWaalsContact OD1-N 3.1Å; D61-N66 PolarHBondContact OD1-ND2 3.45Å; E64-N66 VanDerWaalsContact C-N 3.28Å; E64-N66 WeakPolarHBondContact CB-ND2 3.47Å; E64-N66 PolarHBondContact O-N 2.91Å; E64-N66 PolarHBondContact OE2-ND2 3.48Å; N66-F68 HydrophobicContact CB-CD2 4.34Å; N66-F68 HydrophobicContact CB-CE1 4.18Å; N66-F68 HydrophobicContact CB-CE2 3.63Å; N66-F68 HydrophobicContact CB-CZ 3.53Å; N66-R79 HydrophobicContact CB-CG 3.88Å; N66-R79 PolarHBondContact OD1-NH1 2.69Å
67	I	98.9	Very high	98.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.9	167	-51.9	-53	0	0	0	107.5	F58 L60 G65 R79 P80 F81 I91 L99	F58-I67 HydrophobicContact CD1-CG2 4.28Å; L60-I67 HydrophobicContact CB-CD1 3.61Å; L60-I67 HydrophobicContact CD2-CD1 3.82Å; L60-I67 HydrophobicContact CG-CD1 4.41Å; G65-I67 PolarHBondContact O-N 3.33Å; I67-R79 WeakPolarHBondContact O-CA 3.17Å; I67-P80 HydrophobicContact CG2-CG 4.47Å; I67-P80 WeakPolarHBondContact O-CD 3.47Å; I67-F81 HydrophobicContact CB-CD1 4.06Å; I67-F81 HydrophobicContact CB-CD2 4.46Å; I67-F81 HydrophobicContact CB-CE1 3.83Å; I67-F81 HydrophobicContact CB-CE2 4.26Å; I67-F81 HydrophobicContact CB-CG 4.37Å; I67-F81 HydrophobicContact CB-CZ 3.95Å; I67-F81 HydrophobicContact CG1-CD1 4.32Å; I67-F81 HydrophobicContact CG1-CD2 3.9Å; I67-F81 HydrophobicContact CG1-CE1 3.95Å; I67-F81 HydrophobicContact CG1-CE2 3.49Å; I67-F81 VanDerWaalsContact CG1-CE2 3.49Å; I67-F81 HydrophobicContact CG1-CG 4.3Å; I67-F81 HydrophobicContact CG1-CZ 3.53Å; I67-F81 HydrophobicContact CG2-CD1 4.32Å; I67-F81 HydrophobicContact CG2-CE1 3.71Å; I67-F81 HydrophobicContact CG2-CZ 3.95Å; I67-F81 PolarHBondContact N-O 2.9Å; I67-I91 HydrophobicContact CD1-CD1 4.27Å; I67-I91 HydrophobicContact CG2-CD1 3.97Å; I67-L99 HydrophobicContact CG2-CD2 4.36Å
68	F	98.9	Very high	98.7	Very high	18 Å²	18	45.4 Å²	45.4	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.9	179.8	-61	-78.6	0	0	0	110.6	I39 L44 F58 L59 D61 N66 I77 K78 R79	I39-F68 HydrophobicContact CG2-CE2 4.42Å; I39-F68 HydrophobicContact CG2-CZ 4.35Å; L44-F68 HydrophobicContact CD1-CE2 4.44Å; L44-F68 HydrophobicContact CD1-CZ 4.02Å; F58-F68 VanDerWaalsContact CA-O 3.31Å; F58-F68 WeakPolarHBondContact CA-O 3.46Å; F58-F68 WeakPolarHBondContact CD1-O 3.46Å; L59-F68 HydrophobicContact CD2-CB 3.49Å; L59-F68 VanDerWaalsContact CD2-CB 3.49Å; L59-F68 HydrophobicContact CD2-CG 4.37Å; L59-F68 HydrophobicContact CG-CB 4.03Å; L59-F68 HydrophobicContact CG-CD2 4.22Å; L59-F68 PolarHBondContact N-O 2.67Å; L59-F68 PolarHBondContact O-N 2.8Å; D61-F68 HydrophobicContact CB-CE2 4.39Å; N66-F68 HydrophobicContact CB-CD2 4.34Å; N66-F68 HydrophobicContact CB-CE1 4.18Å; N66-F68 HydrophobicContact CB-CE2 3.63Å; N66-F68 HydrophobicContact CB-CZ 3.53Å; F68-I77 HydrophobicContact CD1-CG2 4.05Å; F68-K78 CarbonylContact C-O 3.59Å; F68-K78 VanDerWaalsContact CA-O 3.25Å; F68-K78 WeakPolarHBondContact CA-O 3.21Å; F68-R79 HydrophobicContact CD1-CB 4.12Å; F68-R79 HydrophobicContact CD1-CG 4.1Å; F68-R79 HydrophobicContact CE1-CB 4.23Å; F68-R79 HydrophobicContact CE1-CG 3.95Å
69	K	98.9	Very high	98.7	Very high	39 Å²	39	51.6 Å²	51.6	17%	0.17	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	127.4	169.5	-174.8	178.1	-172	164	0	108.5	D52 Q56 L57 F58 K78 P80 E118	D52-K69 IonicContact OD2-NZ 2.76Å; Q56-K69 HydrophobicContact CB-CG 4.35Å; L57-K69 CarbonylContact O-C 3.28Å; L57-K69 WeakPolarHBondContact O-CA 3.03Å; F58-K69 HydrophobicContact CD1-CB 4.12Å; F58-K69 HydrophobicContact CD1-CG 4.4Å; F58-K69 HydrophobicContact CD2-CG 4.46Å; F58-K69 HydrophobicContact CE1-CB 3.79Å; F58-K69 HydrophobicContact CE1-CD 3.94Å; F58-K69 HydrophobicContact CE1-CG 3.9Å; F58-K69 HydrophobicContact CE2-CD 3.96Å; F58-K69 HydrophobicContact CE2-CG 3.95Å; F58-K69 HydrophobicContact CZ-CB 4.11Å; F58-K69 HydrophobicContact CZ-CD 3.41Å; F58-K69 VanDerWaalsContact CZ-CD 3.41Å; F58-K69 HydrophobicContact CZ-CG 3.67Å; K69-K78 PolarHBondContact N-O 2.87Å; K69-K78 PolarHBondContact O-N 2.81Å; K69-P80 HydrophobicContact CB-CG 4.39Å; K69-E118 IonicContact NZ-OE1 3.01Å; K69-E118 PolarHBondContact NZ-OE1 2.69Å; K69-E118 IonicContact NZ-OE2 3.36Å; K69-E118 PolarHBondContact NZ-OE2 3.35Å
70	I	98.9	Very high	98.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133	-173.3	-58.6	178.8	0	0	0	109.3	W36 L37 I39 L57 L59 P72 E76 I77 L308	W36-I70 HydrophobicContact CH2-CG2 4.42Å; L37-I70 HydrophobicContact CD2-CD1 3.96Å; L37-I70 HydrophobicContact CD2-CG2 3.62Å; I39-I70 HydrophobicContact CD1-CD1 3.4Å; L57-I70 HydrophobicContact CB-CB 4.17Å; L57-I70 HydrophobicContact CD2-CD1 4.32Å; L57-I70 PolarHBondContact N-O 3.25Å; L57-I70 PolarHBondContact O-N 3.45Å; L59-I70 HydrophobicContact CD2-CD1 3.44Å; L59-I70 VanDerWaalsContact CD2-CD1 3.44Å; L59-I70 HydrophobicContact CD2-CG1 3.98Å; I70-P72 WeakPolarHBondContact O-CD 3.29Å; I70-E76 VanDerWaalsContact CA-O 3.28Å; I70-E76 WeakPolarHBondContact CA-O 2.93Å; I70-I77 HydrophobicContact CD1-CG1 4.34Å; I70-I77 HydrophobicContact CG1-CG1 4.21Å; I70-I77 HydrophobicContact CG1-CG2 4.35Å; I70-L308 HydrophobicContact CD1-CD1 3.95Å
71	N	98.8	Very high	98.6	Very high	34 Å²	34	54.7 Å²	54.7	18%	0.182	26%	0.261	C	S	.	.			trans	-87.4	116	167.6	-179.2	-49.2	0	0	0	109.3	Q56 E73 T74 K75 E76	Q56-N71 VanDerWaalsContact OE1-CA 3.32Å; Q56-N71 VanDerWaalsContact OE1-CB 3.3Å; Q56-N71 PolarHBondContact OE1-ND2 3.34Å; N71-E73 VanDerWaalsContact C-N 3.28Å; N71-E73 PolarHBondContact O-N 2.82Å; N71-E73 WeakPolarHBondContact OD1-CA 3.3Å; N71-E73 WeakPolarHBondContact OD1-CB 3.38Å; N71-E73 PolarHBondContact OD1-N 3.07Å; N71-T74 VanDerWaalsContact CB-OG1 3.32Å; N71-T74 WeakPolarHBondContact CB-OG1 3.42Å; N71-T74 VanDerWaalsContact CG-OG1 3.29Å; N71-T74 PolarHBondContact OD1-N 2.83Å; N71-T74 PolarHBondContact OD1-OG1 3.14Å; N71-K75 VanDerWaalsContact O-CA 3.23Å; N71-K75 WeakPolarHBondContact O-CA 3.32Å; N71-K75 PolarHBondContact O-N 2.76Å; N71-E76 HydrophobicContact CB-CB 4.42Å; N71-E76 PolarHBondContact N-O 3.11Å; N71-E76 VanDerWaalsContact N-O 3.1Å
72	P	98.3	Very high	98.6	Very high	23 Å²	23	57.8 Å²	57.8	15%	0.149	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-27.6	-176.2	-27	38	0	0	0	115	W36 F51 G55 I70 K75 I287	W36-P72 HydrophobicContact CH2-CB 4.03Å; W36-P72 HydrophobicContact CH2-CG 4.46Å; W36-P72 HydrophobicContact CZ2-CB 3.87Å; F51-P72 HydrophobicContact CE1-CG 3.94Å; G55-P72 VanDerWaalsContact O-CD 3.31Å; G55-P72 WeakPolarHBondContact O-CD 3.4Å; G55-P72 WeakPolarHBondContact O-CG 3.4Å; I70-P72 WeakPolarHBondContact O-CD 3.29Å; P72-K75 WeakPolarHBondContact O-CD 3.27Å; P72-K75 VanDerWaalsContact O-CE 3.23Å; P72-K75 WeakPolarHBondContact O-CE 3.48Å; P72-I287 HydrophobicContact CB-CD1 4.46Å
73	E	97.5	Very high	98.6	Very high	177 Å²	177	58 Å²	58	83%	0.827	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-50.3	-179	-176.4	178.1	-156.1	0	0	111	N71	N71-E73 VanDerWaalsContact C-N 3.28Å; N71-E73 PolarHBondContact O-N 2.82Å; N71-E73 WeakPolarHBondContact OD1-CA 3.3Å; N71-E73 WeakPolarHBondContact OD1-CB 3.38Å; N71-E73 PolarHBondContact OD1-N 3.07Å
74	T	98.4	Very high	98.6	Very high	89 Å²	89	56.9 Å²	56.9	55%	0.546	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-14.3	-176.2	66.9	0	0	0	0	113.6	N71 E76	N71-T74 VanDerWaalsContact CB-OG1 3.32Å; N71-T74 WeakPolarHBondContact CB-OG1 3.42Å; N71-T74 VanDerWaalsContact CG-OG1 3.29Å; N71-T74 PolarHBondContact OD1-N 2.83Å; N71-T74 PolarHBondContact OD1-OG1 3.14Å; T74-E76 PolarHBondContact O-N 2.89Å; T74-E76 WeakPolarHBondContact OG1-CB 3.45Å; T74-E76 PolarHBondContact OG1-N 3.31Å
75	K	98.3	Very high	98.6	Very high	75 Å²	75	54.2 Å²	54.2	33%	0.326	27%	0.265	S	S	.	.			trans	59.6	17.6	-170.9	-51.4	-58.9	-177.9	72.2	0	114.1	W36 L37 N71 P72 I77	W36-K75 VanDerWaalsContact CE2-CE 3.45Å; W36-K75 HydrophobicContact CH2-CD 4.46Å; W36-K75 HydrophobicContact CZ2-CD 3.97Å; W36-K75 VanDerWaalsContact NE1-CE 3.34Å; W36-K75 PolarHBondContact O-NZ 2.95Å; L37-K75 HydrophobicContact CD1-CB 3.98Å; L37-K75 HydrophobicContact CD2-CB 4.39Å; L37-K75 HydrophobicContact CD2-CD 4.42Å; N71-K75 VanDerWaalsContact O-CA 3.23Å; N71-K75 WeakPolarHBondContact O-CA 3.32Å; N71-K75 PolarHBondContact O-N 2.76Å; P72-K75 WeakPolarHBondContact O-CD 3.27Å; P72-K75 VanDerWaalsContact O-CE 3.23Å; P72-K75 WeakPolarHBondContact O-CE 3.48Å; K75-I77 PolarHBondContact O-N 2.91Å
76	E	98.7	Very high	98.6	Very high	92 Å²	92	56.8 Å²	56.8	43%	0.43	29%	0.286	S	S	.	.			trans	-62.9	128.4	173.8	-177.1	-170.9	-145.2	0	0	109.8	I70 N71 T74 K78	I70-E76 VanDerWaalsContact CA-O 3.28Å; I70-E76 WeakPolarHBondContact CA-O 2.93Å; N71-E76 HydrophobicContact CB-CB 4.42Å; N71-E76 PolarHBondContact N-O 3.11Å; N71-E76 VanDerWaalsContact N-O 3.1Å; T74-E76 PolarHBondContact O-N 2.89Å; T74-E76 WeakPolarHBondContact OG1-CB 3.45Å; T74-E76 PolarHBondContact OG1-N 3.31Å; E76-K78 HydrophobicContact CG-CG 4.47Å; E76-K78 WeakPolarHBondContact OE1-CE 3.41Å; E76-K78 IonicContact OE1-NZ 3.53Å; E76-K78 PolarHBondContact OE1-NZ 3.15Å; E76-K78 VanDerWaalsContact OE1-NZ 3.11Å; E76-K78 VanDerWaalsContact OE2-CE 3.32Å; E76-K78 WeakPolarHBondContact OE2-CE 3.33Å; E76-K78 IonicContact OE2-NZ 3.4Å; E76-K78 PolarHBondContact OE2-NZ 3.44Å
77	I	98.8	Very high	98.6	Very high	62 Å²	62	57.6 Å²	57.6	32%	0.318	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.5	175.1	-55.2	170.1	0	0	0	108.7	L37 I39 F68 I70 K75	L37-I77 HydrophobicContact CD1-CD1 4.1Å; L37-I77 HydrophobicContact CD2-CD1 4.05Å; L37-I77 HydrophobicContact CD2-CG1 3.92Å; L37-I77 HydrophobicContact CG-CD1 4.04Å; L37-I77 HydrophobicContact CG-CG1 4.45Å; I39-I77 HydrophobicContact CD1-CD1 4.06Å; F68-I77 HydrophobicContact CD1-CG2 4.05Å; I70-I77 HydrophobicContact CD1-CG1 4.34Å; I70-I77 HydrophobicContact CG1-CG1 4.21Å; I70-I77 HydrophobicContact CG1-CG2 4.35Å; K75-I77 PolarHBondContact O-N 2.91Å
78	K	98.8	Very high	98.6	Very high	107 Å²	107	57.6 Å²	57.6	47%	0.465	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	152.4	169.2	-69.7	177	175.8	137	0	109.8	F68 K69 E76 P80	F68-K78 CarbonylContact C-O 3.59Å; F68-K78 VanDerWaalsContact CA-O 3.25Å; F68-K78 WeakPolarHBondContact CA-O 3.21Å; K69-K78 PolarHBondContact N-O 2.87Å; K69-K78 PolarHBondContact O-N 2.81Å; E76-K78 HydrophobicContact CG-CG 4.47Å; E76-K78 WeakPolarHBondContact OE1-CE 3.41Å; E76-K78 IonicContact OE1-NZ 3.53Å; E76-K78 PolarHBondContact OE1-NZ 3.15Å; E76-K78 VanDerWaalsContact OE1-NZ 3.11Å; E76-K78 VanDerWaalsContact OE2-CE 3.32Å; E76-K78 WeakPolarHBondContact OE2-CE 3.33Å; E76-K78 IonicContact OE2-NZ 3.4Å; E76-K78 PolarHBondContact OE2-NZ 3.44Å; K78-P80 WeakPolarHBondContact O-CD 3.35Å
79	R	98.7	Very high	98.6	Very high	131 Å²	131	56.7 Å²	56.7	49%	0.494	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	79.8	172.2	-165.9	-71.7	-54	-96.3	-0.9	108.4	N66 I67 F68 F81 V82	N66-R79 HydrophobicContact CB-CG 3.88Å; N66-R79 PolarHBondContact OD1-NH1 2.69Å; I67-R79 WeakPolarHBondContact O-CA 3.17Å; F68-R79 HydrophobicContact CD1-CB 4.12Å; F68-R79 HydrophobicContact CD1-CG 4.1Å; F68-R79 HydrophobicContact CE1-CB 4.23Å; F68-R79 HydrophobicContact CE1-CG 3.95Å; R79-F81 WeakPolarHBondContact CD-O 3.3Å; R79-F81 PolarHBondContact O-N 2.78Å; R79-V82 VanDerWaalsContact NH1-CG2 3.31Å
80	P	98.1	Very high	98.6	Very high	43 Å²	43	54.9 Å²	54.9	28%	0.279	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	-41.9	-172.5	21.9	-36.5	0	0	0	113.6	I67 K69 K78 E118	I67-P80 HydrophobicContact CG2-CG 4.47Å; I67-P80 WeakPolarHBondContact O-CD 3.47Å; K69-P80 HydrophobicContact CB-CG 4.39Å; K78-P80 WeakPolarHBondContact O-CD 3.35Å; P80-E118 VanDerWaalsContact CB-O 3.3Å; P80-E118 WeakPolarHBondContact CB-O 3.34Å; P80-E118 WeakPolarHBondContact CG-O 3.47Å
81	F	98.8	Very high	98.6	Very high	22 Å²	22	54.9 Å²	54.9	10%	0.096	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	177.3	179.7	67.6	-78.6	0	0	0	112	I67 R79 E118 G120	I67-F81 HydrophobicContact CB-CD1 4.06Å; I67-F81 HydrophobicContact CB-CD2 4.46Å; I67-F81 HydrophobicContact CB-CE1 3.83Å; I67-F81 HydrophobicContact CB-CE2 4.26Å; I67-F81 HydrophobicContact CB-CG 4.37Å; I67-F81 HydrophobicContact CB-CZ 3.95Å; I67-F81 HydrophobicContact CG1-CD1 4.32Å; I67-F81 HydrophobicContact CG1-CD2 3.9Å; I67-F81 HydrophobicContact CG1-CE1 3.95Å; I67-F81 HydrophobicContact CG1-CE2 3.49Å; I67-F81 VanDerWaalsContact CG1-CE2 3.49Å; I67-F81 HydrophobicContact CG1-CG 4.3Å; I67-F81 HydrophobicContact CG1-CZ 3.53Å; I67-F81 HydrophobicContact CG2-CD1 4.32Å; I67-F81 HydrophobicContact CG2-CE1 3.71Å; I67-F81 HydrophobicContact CG2-CZ 3.95Å; I67-F81 PolarHBondContact N-O 2.9Å; R79-F81 WeakPolarHBondContact CD-O 3.3Å; R79-F81 PolarHBondContact O-N 2.78Å; F81-E118 WeakPolarHBondContact CE1-O 3.1Å; F81-G120 VanDerWaalsContact CD1-N 3.32Å
82	V	98.9	Very high	98.6	Very high	66 Å²	66	54.2 Å²	54.2	40%	0.4	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.2	173.8	179.8	0	0	0	0	107.5	G65 R79 H84	G65-V82 CarbonylContact O-C 3.53Å; G65-V82 WeakPolarHBondContact O-CA 3.29Å; R79-V82 VanDerWaalsContact NH1-CG2 3.31Å; V82-H84 PolarHBondContact O-N 2.95Å
83	S	98.8	Very high	98.7	Very high	14 Å²	14	53.3 Å²	53.3	10%	0.098	27%	0.268	C	S	.	.			trans	-54.5	134	173.7	179.5	0	0	0	0	110.6	G65 K85	G65-S83 PolarHBondContact O-N 3.04Å; S83-K85 VanDerWaalsContact C-N 3.28Å; S83-K85 WeakPolarHBondContact CB-O 3.17Å; S83-K85 PolarHBondContact OG-N 3.26Å; S83-K85 VanDerWaalsContact OG-N 3.11Å; S83-K85 PolarHBondContact OG-O 3.26Å
84	H	98.6	Very high	98.7	Very high	93 Å²	93	46 Å²	46	43%	0.431	23%	0.234	S	C	.	.	S	Bend	trans	-85.7	-4.6	172.7	65.3	-74.7	0	0	0	112.2	V82 F114	V82-H84 PolarHBondContact O-N 2.95Å; H84-F114 AromaticContact CE1-CD1 3.76Å; H84-F114 AromaticContact CE1-CD2 3.53Å; H84-F114 AromaticContact CE1-CE1 3.97Å; H84-F114 AromaticContact CE1-CE2 3.76Å; H84-F114 AromaticContact CE1-CG 3.53Å; H84-F114 AromaticContact CE1-CZ 3.97Å
85	K	98.8	Very high	98.7	Very high	33 Å²	33	45.6 Å²	45.6	14%	0.143	22%	0.224	C	C	.	.	S	Bend	trans	-110.8	142.6	174.4	-59.5	-69.3	-167.6	170.7	0	109.8	S83 Y103 F114 D125 D129	S83-K85 VanDerWaalsContact C-N 3.28Å; S83-K85 WeakPolarHBondContact CB-O 3.17Å; S83-K85 PolarHBondContact OG-N 3.26Å; S83-K85 VanDerWaalsContact OG-N 3.11Å; S83-K85 PolarHBondContact OG-O 3.26Å; K85-Y103 HydrophobicContact CB-CD1 3.87Å; K85-Y103 HydrophobicContact CB-CD2 3.66Å; K85-Y103 HydrophobicContact CB-CE1 4.11Å; K85-Y103 HydrophobicContact CB-CE2 3.9Å; K85-Y103 HydrophobicContact CB-CG 3.65Å; K85-Y103 HydrophobicContact CD-CE1 4.3Å; K85-Y103 HydrophobicContact CD-CE2 3.88Å; K85-Y103 WeakPolarHBondContact CE-OH 3.48Å; K85-Y103 HydrophobicContact CG-CD1 4.01Å; K85-Y103 HydrophobicContact CG-CD2 4.19Å; K85-Y103 HydrophobicContact CG-CE1 3.74Å; K85-Y103 HydrophobicContact CG-CE2 3.94Å; K85-Y103 HydrophobicContact CG-CG 4.23Å; K85-F114 HydrophobicContact CB-CD1 4.28Å; K85-F114 HydrophobicContact CB-CE1 4.24Å; K85-F114 HydrophobicContact CG-CD1 3.78Å; K85-F114 HydrophobicContact CG-CE1 4.16Å; K85-D125 IonicContact NZ-OD1 3.65Å; K85-D129 VanDerWaalsContact NZ-CG 3.35Å; K85-D129 IonicContact NZ-OD1 3.55Å; K85-D129 IonicContact NZ-OD2 2.7Å; K85-D129 PolarHBondContact NZ-OD2 3.01Å
86	A	98.7	Very high	98.7	Very high	59 Å²	59	46.2 Å²	46.2	49%	0.488	23%	0.231	S	C	.	.	S	Bend	trans	-73.8	144	-176.3	0	0	0	0	0	112.2	G105	A86-G105 PolarHBondContact O-N 3.21Å; A86-G105 VanDerWaalsContact O-N 3.14Å
87	N	98.9	Very high	98.7	Very high	32 Å²	32	43.8 Å²	43.8	17%	0.171	23%	0.23	C	C	.	.	S	Bend	trans	53.4	54.9	175.8	-54.4	-66.4	0	0	0	113.4	V62 Y103 L104 G105 F107	V62-N87 HydrophobicContact CG1-CB 3.88Å; V62-N87 WeakPolarHBondContact O-CA 3.21Å; N87-Y103 WeakPolarHBondContact O-CA 3.49Å; N87-L104 HydrophobicContact CB-CB 4.02Å; N87-L104 PolarHBondContact O-N 3.06Å; N87-G105 PolarHBondContact ND2-O 3.3Å; N87-F107 HydrophobicContact CB-CE1 4.31Å; N87-F107 HydrophobicContact CB-CE2 4.33Å; N87-F107 HydrophobicContact CB-CZ 3.81Å; N87-F107 VanDerWaalsContact CG-CZ 3.42Å; N87-F107 WeakPolarHBondContact ND2-CE2 3.06Å
88	P	98.9	Very high	98.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	138.6	170.8	35.6	-39.2	0	0	0	109.4	L60 V62 V101 C102	L60-P88 HydrophobicContact CD1-CG 4.46Å; L60-P88 VanDerWaalsContact CD1-O 3.28Å; L60-P88 WeakPolarHBondContact CD1-O 3.11Å; L60-P88 HydrophobicContact CD2-CB 3.74Å; L60-P88 HydrophobicContact CD2-CG 4.09Å; V62-P88 VanDerWaalsContact CA-O 3.31Å; V62-P88 WeakPolarHBondContact CA-O 3.34Å; V62-P88 WeakPolarHBondContact CG2-O 3.37Å; V62-P88 WeakPolarHBondContact O-CD 3.31Å; P88-V101 HydrophobicContact CB-CG1 3.68Å; P88-C102 CarbonylContact C-O 3.37Å; P88-C102 VanDerWaalsContact CA-O 3.26Å; P88-C102 WeakPolarHBondContact CA-O 3.28Å
89	A	98.9	Very high	98.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-50.9	-173.2	0	0	0	0	0	111	E47 G48 L60 C102 L104 D137	E47-A89 WeakPolarHBondContact CB-O 3.07Å; E47-A89 VanDerWaalsContact CG-O 3.31Å; E47-A89 WeakPolarHBondContact CG-O 3.47Å; G48-A89 PolarHBondContact N-O 2.86Å; L60-A89 WeakPolarHBondContact CD1-O 3.38Å; A89-C102 PolarHBondContact N-O 3.38Å; A89-L104 HydrophobicContact CB-CD1 4.2Å; A89-L104 HydrophobicContact CB-CG 4.15Å; A89-D137 VanDerWaalsContact CB-O 3.31Å; A89-D137 WeakPolarHBondContact CB-O 3.45Å; A89-D137 WeakPolarHBondContact CB-OD2 3.4Å
90	A	99	Very high	98.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.2	179.4	0	0	0	0	0	114.2	V101 C102 D137 D138	A90-V101 CarbonylContact O-C 3.53Å; A90-V101 VanDerWaalsContact O-CA 3.3Å; A90-V101 WeakPolarHBondContact O-CA 3.41Å; A90-C102 HydrophobicContact CB-CB 4.18Å; A90-C102 PolarHBondContact O-N 3.31Å; A90-D137 WeakPolarHBondContact CB-O 3.45Å; A90-D137 PolarHBondContact N-O 2.8Å; A90-D138 HydrophobicContact CB-CB 4.05Å; A90-D138 WeakPolarHBondContact CB-OD1 3.31Å
91	I	99	Very high	98.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130	163.9	-56.3	175.2	0	0	0	107.6	N50 F58 L60 I67 I93 L99 F100 V101	N50-I91 HydrophobicContact CB-CB 4.49Å; N50-I91 HydrophobicContact CB-CG2 4.48Å; N50-I91 VanDerWaalsContact CB-O 3.24Å; N50-I91 WeakPolarHBondContact CB-O 3.17Å; F58-I91 HydrophobicContact CB-CD1 4.18Å; L60-I91 HydrophobicContact CB-CD1 4.22Å; L60-I91 HydrophobicContact CD2-CD1 4.04Å; L60-I91 HydrophobicContact CD2-CG1 3.62Å; L60-I91 HydrophobicContact CG-CD1 4.25Å; L60-I91 HydrophobicContact CG-CG1 4.19Å; I67-I91 HydrophobicContact CD1-CD1 4.27Å; I67-I91 HydrophobicContact CG2-CD1 3.97Å; I91-I93 HydrophobicContact CG2-CG1 4.35Å; I91-L99 HydrophobicContact CG2-CB 4.09Å; I91-L99 HydrophobicContact CG2-CD2 3.98Å; I91-L99 HydrophobicContact CG2-CG 3.78Å; I91-F100 CarbonylContact C-O 3.52Å; I91-F100 WeakPolarHBondContact CA-O 3.36Å; I91-V101 HydrophobicContact CG1-CG2 4.41Å
92	K	98.9	Very high	98.8	Very high	20 Å²	20	29.3 Å²	29.3	9%	0.087	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123	163.7	-60.5	-59.2	166.1	-170	0	110.4	F100 D138 M139 F141 H283	K92-F100 PolarHBondContact N-O 2.63Å; K92-F100 WeakPolarHBondContact O-CB 3.46Å; K92-F100 PolarHBondContact O-N 3.29Å; K92-D138 WeakPolarHBondContact CE-OD1 3.37Å; K92-D138 IonicContact NZ-OD1 2.66Å; K92-D138 PolarHBondContact NZ-OD1 3.01Å; K92-D138 IonicContact NZ-OD2 3.78Å; K92-D138 PolarHBondContact NZ-OD2 3.18Å; K92-M139 HydrophobicContact CB-CG 3.95Å; K92-M139 HydrophobicContact CB-SD 4.35Å; K92-M139 WeakPolarHBondContact CE-O 3.07Å; K92-M139 HydrophobicContact CG-CG 3.52Å; K92-M139 VanDerWaalsContact CG-O 3.29Å; K92-M139 WeakPolarHBondContact CG-O 3.25Å; K92-F141 HydrophobicContact CB-CD2 4.19Å; K92-F141 HydrophobicContact CB-CE2 4Å; K92-H283 PolarHBondContact NZ-CE1 3.11Å; K92-H283 PolarHBondContact NZ-NE2 3.1Å
93	I	98.9	Very high	98.8	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131	-178.8	-63.6	168.3	0	0	0	108.1	N50 D52 F58 I91 R98 L99 Q322	N50-I93 HydrophobicContact CB-CD1 4.49Å; N50-I93 WeakPolarHBondContact OD1-CB 3.42Å; N50-I93 WeakPolarHBondContact OD1-CG1 3.39Å; N50-I93 PolarHBondContact OD1-N 3.3Å; D52-I93 HydrophobicContact CB-CD1 3.87Å; F58-I93 HydrophobicContact CD2-CD1 3.81Å; F58-I93 HydrophobicContact CE2-CD1 4.38Å; F58-I93 HydrophobicContact CG-CD1 4.43Å; I91-I93 HydrophobicContact CG2-CG1 4.35Å; I93-R98 CarbonylContact C-O 3.51Å; I93-R98 WeakPolarHBondContact CA-O 3.42Å; I93-L99 HydrophobicContact CG1-CD1 4.09Å; I93-L99 HydrophobicContact CG1-CG 4.09Å; I93-Q322 HydrophobicContact CB-CB 4.12Å; I93-Q322 HydrophobicContact CB-CG 4.31Å; I93-Q322 HydrophobicContact CG2-CB 3.9Å; I93-Q322 HydrophobicContact CG2-CG 4.42Å; I93-Q322 WeakPolarHBondContact O-CB 3.4Å
94	H	98.8	Very high	98.8	Very high	23 Å²	23	25.9 Å²	25.9	11%	0.106	14%	0.141	C	C	.	.			trans	-83.5	159.8	176.2	-177.4	-86.2	0	0	0	110.1	D96 G97 R98 F100 F141 F321	H94-D96 IonicContact CE1-OD1 3.45Å; H94-D96 IonicContact CE1-OD2 3.89Å; H94-D96 PolarHBondContact CE1-OD2 3.26Å; H94-D96 VanDerWaalsContact CE1-OD2 3.3Å; H94-D96 IonicContact CG-OD1 2.65Å; H94-D96 PolarHBondContact ND1-N 3.26Å; H94-D96 VanDerWaalsContact ND1-N 3.11Å; H94-D96 IonicContact ND1-OD1 3.97Å; H94-D96 PolarHBondContact ND1-OD1 2.75Å; H94-D96 IonicContact ND1-OD2 2.86Å; H94-D96 PolarHBondContact ND1-OD2 2.81Å; H94-D96 PolarHBondContact O-N 2.95Å; H94-D96 VanDerWaalsContact O-N 3.1Å; H94-G97 PolarHBondContact O-N 2.86Å; H94-R98 HydrophobicContact CB-CB 4.37Å; H94-R98 PolarHBondContact N-O 3.03Å; H94-F100 HydrophobicContact CB-CD2 3.91Å; H94-F100 HydrophobicContact CB-CE2 3.67Å; H94-F141 HydrophobicContact CB-CE2 4.15Å; H94-F141 HydrophobicContact CB-CZ 4.01Å; H94-F141 AromaticContact CD2-CE1 3.61Å; H94-F141 AromaticContact CD2-CZ 3.68Å; H94-F321 AromaticContact CD2-CE1 3.52Å; H94-F321 AromaticContact CE1-CE1 3.95Å; H94-F321 AromaticContact CG-CE1 3.91Å; H94-F321 AromaticContact NE2-CE1 3.54Å
95	K	98.5	Very high	98.8	Very high	80 Å²	80	21.8 Å²	21.8	35%	0.348	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.4	178.4	-160.3	176.8	-160.9	159.9	0	113.5	R53 G97 F321 Q324	R53-K95 PolarHBondContact NE-O 2.83Å; R53-K95 VanDerWaalsContact NH2-C 3.3Å; R53-K95 PolarHBondContact NH2-O 2.86Å; K95-G97 VanDerWaalsContact C-N 3.26Å; K95-G97 PolarHBondContact O-N 3.21Å; K95-F321 HydrophobicContact CB-CD1 3.95Å; K95-F321 HydrophobicContact CB-CE1 3.47Å; K95-F321 VanDerWaalsContact CB-CE1 3.47Å; K95-F321 HydrophobicContact CB-CE2 4.15Å; K95-F321 HydrophobicContact CB-CG 4.48Å; K95-F321 HydrophobicContact CB-CZ 3.57Å; K95-F321 HydrophobicContact CD-CE2 4.05Å; K95-F321 HydrophobicContact CD-CZ 4.14Å; K95-F321 HydrophobicContact CG-CZ 4.41Å; K95-Q324 WeakPolarHBondContact CE-O 3.49Å; K95-Q324 WeakPolarHBondContact CE-OXT 3.42Å; K95-Q324 PolarHBondContact NZ-OXT 2.69Å
96	D	98.3	Very high	98.8	Very high	89 Å²	89	23.5 Å²	23.5	48%	0.476	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.5	176.9	62.6	16	0	0	0	114.8	H94 R98	H94-D96 IonicContact CE1-OD1 3.45Å; H94-D96 IonicContact CE1-OD2 3.89Å; H94-D96 PolarHBondContact CE1-OD2 3.26Å; H94-D96 VanDerWaalsContact CE1-OD2 3.3Å; H94-D96 IonicContact CG-OD1 2.65Å; H94-D96 PolarHBondContact ND1-N 3.26Å; H94-D96 VanDerWaalsContact ND1-N 3.11Å; H94-D96 IonicContact ND1-OD1 3.97Å; H94-D96 PolarHBondContact ND1-OD1 2.75Å; H94-D96 IonicContact ND1-OD2 2.86Å; H94-D96 PolarHBondContact ND1-OD2 2.81Å; H94-D96 PolarHBondContact O-N 2.95Å; H94-D96 VanDerWaalsContact O-N 3.1Å; D96-R98 VanDerWaalsContact CG-NE 3.31Å; D96-R98 WeakPolarHBondContact OD1-CB 3.44Å; D96-R98 WeakPolarHBondContact OD1-CG 3.07Å; D96-R98 PolarHBondContact OD1-N 2.98Å; D96-R98 IonicContact OD1-NE 3.59Å; D96-R98 PolarHBondContact OD1-NE 2.81Å; D96-R98 IonicContact OD2-CZ 3.1Å; D96-R98 IonicContact OD2-NE 3.53Å; D96-R98 PolarHBondContact OD2-NE 3.03Å; D96-R98 IonicContact OD2-NH2 2.69Å; D96-R98 PolarHBondContact OD2-NH2 3.25Å
97	G	98.5	Very high	98.8	Very high	40 Å²	40	25.6 Å²	25.6	41%	0.412	13%	0.133	S	C	.	.	S	Bend	trans	88.9	-1.2	179.6	0	0	0	0	0	115.1	H94 K95	H94-G97 PolarHBondContact O-N 2.86Å; K95-G97 VanDerWaalsContact C-N 3.26Å; K95-G97 PolarHBondContact O-N 3.21Å
98	R	98.8	Very high	98.8	Very high	60 Å²	60	31.3 Å²	31.3	23%	0.226	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-65.5	142.9	170.9	-72	179.4	-67.8	171.7	3.5	110.8	I93 H94 D96 F100 A116	I93-R98 CarbonylContact C-O 3.51Å; I93-R98 WeakPolarHBondContact CA-O 3.42Å; H94-R98 HydrophobicContact CB-CB 4.37Å; H94-R98 PolarHBondContact N-O 3.03Å; D96-R98 VanDerWaalsContact CG-NE 3.31Å; D96-R98 WeakPolarHBondContact OD1-CB 3.44Å; D96-R98 WeakPolarHBondContact OD1-CG 3.07Å; D96-R98 PolarHBondContact OD1-N 2.98Å; D96-R98 IonicContact OD1-NE 3.59Å; D96-R98 PolarHBondContact OD1-NE 2.81Å; D96-R98 IonicContact OD2-CZ 3.1Å; D96-R98 IonicContact OD2-NE 3.53Å; D96-R98 PolarHBondContact OD2-NE 3.03Å; D96-R98 IonicContact OD2-NH2 2.69Å; D96-R98 PolarHBondContact OD2-NH2 3.25Å; R98-F100 HydrophobicContact CB-CD2 4.32Å; R98-F100 HydrophobicContact CB-CE2 4.09Å; R98-A116 WeakPolarHBondContact CA-O 3.39Å
99	L	98.9	Very high	98.7	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	119.4	168.4	-83.4	63.8	0	0	0	108	F58 I67 I91 I93 V101 A115 A116 E118	F58-L99 HydrophobicContact CD1-CD2 3.64Å; F58-L99 HydrophobicContact CE1-CD2 3.83Å; F58-L99 HydrophobicContact CG-CD2 4.21Å; F58-L99 HydrophobicContact CZ-CD1 4.49Å; I67-L99 HydrophobicContact CG2-CD2 4.36Å; I91-L99 HydrophobicContact CG2-CB 4.09Å; I91-L99 HydrophobicContact CG2-CD2 3.98Å; I91-L99 HydrophobicContact CG2-CG 3.78Å; I93-L99 HydrophobicContact CG1-CD1 4.09Å; I93-L99 HydrophobicContact CG1-CG 4.09Å; L99-V101 HydrophobicContact CB-CG2 4.48Å; L99-A115 CarbonylContact O-C 3.52Å; L99-A115 WeakPolarHBondContact O-CA 3.2Å; L99-A115 WeakPolarHBondContact O-CB 3.48Å; L99-A116 PolarHBondContact N-O 3.08Å; L99-A116 PolarHBondContact O-N 2.96Å; L99-E118 HydrophobicContact CD1-CB 4.24Å
100	F	98.9	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.2	167.2	-77.2	-131.4	0	0	0	107.5	I91 K92 H94 R98 I113 F114 A115 I126 M139 F141 F147 F170	I91-F100 CarbonylContact C-O 3.52Å; I91-F100 WeakPolarHBondContact CA-O 3.36Å; K92-F100 PolarHBondContact N-O 2.63Å; K92-F100 WeakPolarHBondContact O-CB 3.46Å; K92-F100 PolarHBondContact O-N 3.29Å; H94-F100 HydrophobicContact CB-CD2 3.91Å; H94-F100 HydrophobicContact CB-CE2 3.67Å; R98-F100 HydrophobicContact CB-CD2 4.32Å; R98-F100 HydrophobicContact CB-CE2 4.09Å; F100-I113 HydrophobicContact CB-CG2 4.18Å; F100-I113 HydrophobicContact CD1-CG2 4.04Å; F100-F114 CarbonylContact C-O 3.47Å; F100-F114 WeakPolarHBondContact CA-O 3.32Å; F100-A115 HydrophobicContact CD1-CB 4.45Å; F100-A115 HydrophobicContact CD2-CB 3.59Å; F100-A115 HydrophobicContact CE2-CB 3.67Å; F100-A115 HydrophobicContact CG-CB 3.99Å; F100-A115 HydrophobicContact CZ-CB 4.16Å; F100-I126 HydrophobicContact CD1-CD1 4.49Å; F100-I126 HydrophobicContact CD1-CG1 3.88Å; F100-I126 HydrophobicContact CD1-CG2 4.29Å; F100-I126 HydrophobicContact CE1-CB 4.3Å; F100-I126 HydrophobicContact CE1-CD1 3.66Å; F100-I126 HydrophobicContact CE1-CG1 3.53Å; F100-I126 HydrophobicContact CE1-CG2 3.92Å; F100-I126 HydrophobicContact CZ-CD1 3.83Å; F100-I126 HydrophobicContact CZ-CG1 4.1Å; F100-M139 HydrophobicContact CB-CE 4.22Å; F100-M139 HydrophobicContact CB-SD 3.76Å; F100-M139 HydrophobicContact CD1-CE 3.85Å; F100-M139 HydrophobicContact CD1-SD 4.33Å; F100-M139 HydrophobicContact CG-CE 4.38Å; F100-F141 HydrophobicContact CB-CE2 4.5Å; F100-F141 HydrophobicContact CB-CZ 4.34Å; F100-F141 HydrophobicContact CD1-CE1 4.43Å; F100-F141 AromaticContact CD1-CZ 3.71Å; F100-F141 HydrophobicContact CD1-CZ 3.71Å; F100-F141 HydrophobicContact CD2-CE2 4.47Å; F100-F141 AromaticContact CD2-CZ 3.9Å; F100-F141 HydrophobicContact CD2-CZ 3.9Å; F100-F141 HydrophobicContact CE1-CE1 4.28Å; F100-F141 AromaticContact CE1-CZ 3.88Å; F100-F141 HydrophobicContact CE1-CZ 3.88Å; F100-F141 HydrophobicContact CE2-CZ 4.11Å; F100-F141 HydrophobicContact CG-CE2 4.31Å; F100-F141 AromaticContact CG-CZ 3.73Å; F100-F141 HydrophobicContact CG-CZ 3.73Å; F100-F141 HydrophobicContact CZ-CZ 4.1Å; F100-F147 HydrophobicContact CE1-CE1 4.3Å; F100-F170 HydrophobicContact CE1-CE1 4.24Å; F100-F170 HydrophobicContact CE1-CE2 4.14Å; F100-F170 AromaticContact CE1-CZ 3.83Å; F100-F170 HydrophobicContact CE1-CZ 3.83Å; F100-F170 HydrophobicContact CZ-CE1 4.44Å; F100-F170 AromaticContact CZ-CE2 3.78Å; F100-F170 HydrophobicContact CZ-CE2 3.78Å; F100-F170 AromaticContact CZ-CZ 3.61Å; F100-F170 HydrophobicContact CZ-CZ 3.61Å
101	V	99	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.3	-175.3	-175.6	0	0	0	0	108.6	L60 P88 A90 I91 L99 I113 F114	L60-V101 HydrophobicContact CD2-CG1 4.1Å; P88-V101 HydrophobicContact CB-CG1 3.68Å; A90-V101 CarbonylContact O-C 3.53Å; A90-V101 VanDerWaalsContact O-CA 3.3Å; A90-V101 WeakPolarHBondContact O-CA 3.41Å; I91-V101 HydrophobicContact CG1-CG2 4.41Å; L99-V101 HydrophobicContact CB-CG2 4.48Å; V101-I113 WeakPolarHBondContact O-CA 3.14Å; V101-F114 HydrophobicContact CB-CD1 4.02Å; V101-F114 HydrophobicContact CB-CD2 4.33Å; V101-F114 HydrophobicContact CB-CE1 3.53Å; V101-F114 HydrophobicContact CB-CE2 3.88Å; V101-F114 HydrophobicContact CB-CG 4.41Å; V101-F114 HydrophobicContact CB-CZ 3.46Å; V101-F114 VanDerWaalsContact CB-CZ 3.46Å; V101-F114 HydrophobicContact CG1-CD1 4.42Å; V101-F114 HydrophobicContact CG1-CE1 3.6Å; V101-F114 HydrophobicContact CG1-CZ 3.71Å; V101-F114 HydrophobicContact CG2-CD2 4.48Å; V101-F114 HydrophobicContact CG2-CE1 4.26Å; V101-F114 HydrophobicContact CG2-CE2 3.76Å; V101-F114 HydrophobicContact CG2-CZ 3.64Å; V101-F114 PolarHBondContact N-O 2.82Å; V101-F114 PolarHBondContact O-N 2.98Å; V101-F114 VanDerWaalsContact O-N 3.1Å
102	C	99	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	142.2	173	-61.3	0	0	0	0	109.2	P88 A89 A90 I136 D137 M139	P88-C102 CarbonylContact C-O 3.37Å; P88-C102 VanDerWaalsContact CA-O 3.26Å; P88-C102 WeakPolarHBondContact CA-O 3.28Å; A89-C102 PolarHBondContact N-O 3.38Å; A90-C102 HydrophobicContact CB-CB 4.18Å; A90-C102 PolarHBondContact O-N 3.31Å; C102-I136 CarbonylContact C-O 3.53Å; C102-I136 HydrophobicContact CB-CB 4.47Å; C102-I136 HydrophobicContact CB-CG2 3.94Å; C102-I136 WeakPolarHBondContact CB-O 3.43Å; C102-D137 WeakPolarHBondContact CB-O 3.41Å; C102-M139 VanDerWaalsContact SG-CG 3.59Å; C102-M139 VanDerWaalsContact SG-SD 3.61Å
103	Y	98.9	Very high	98.7	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.7	178.4	61.4	-87.6	0	0	0	113	K85 N87 G111 G112 I113 F114 D129 I136	K85-Y103 HydrophobicContact CB-CD1 3.87Å; K85-Y103 HydrophobicContact CB-CD2 3.66Å; K85-Y103 HydrophobicContact CB-CE1 4.11Å; K85-Y103 HydrophobicContact CB-CE2 3.9Å; K85-Y103 HydrophobicContact CB-CG 3.65Å; K85-Y103 HydrophobicContact CD-CE1 4.3Å; K85-Y103 HydrophobicContact CD-CE2 3.88Å; K85-Y103 WeakPolarHBondContact CE-OH 3.48Å; K85-Y103 HydrophobicContact CG-CD1 4.01Å; K85-Y103 HydrophobicContact CG-CD2 4.19Å; K85-Y103 HydrophobicContact CG-CE1 3.74Å; K85-Y103 HydrophobicContact CG-CE2 3.94Å; K85-Y103 HydrophobicContact CG-CG 4.23Å; N87-Y103 WeakPolarHBondContact O-CA 3.49Å; Y103-G111 CarbonylContact O-C 3.55Å; Y103-G111 WeakPolarHBondContact O-CA 3.49Å; Y103-G112 VanDerWaalsContact CD1-C 3.49Å; Y103-G112 WeakPolarHBondContact CD1-O 3.45Å; Y103-G112 WeakPolarHBondContact CE1-O 3.38Å; Y103-G112 VanDerWaalsContact CE2-N 3.29Å; Y103-G112 VanDerWaalsContact CZ-CA 3.45Å; Y103-G112 PolarHBondContact N-O 2.66Å; Y103-G112 PolarHBondContact O-N 2.87Å; Y103-I113 VanDerWaalsContact CE1-N 3.34Å; Y103-F114 AromaticContact CD1-CD1 3.81Å; Y103-F114 HydrophobicContact CD1-CD1 3.81Å; Y103-F114 HydrophobicContact CD1-CE1 4.38Å; Y103-F114 HydrophobicContact CE1-CB 4.45Å; Y103-F114 AromaticContact CE1-CD1 3.89Å; Y103-F114 HydrophobicContact CE1-CD1 3.89Å; Y103-D129 HydrophobicContact CE2-CB 3.93Å; Y103-D129 WeakPolarHBondContact OH-CB 3.29Å; Y103-I136 CarbonylContact C-O 3.38Å; Y103-I136 VanDerWaalsContact C-O 3.23Å; Y103-I136 PolarHBondContact N-O 3.16Å; Y103-I136 VanDerWaalsContact N-O 3.13Å; Y103-I136 PolarHBondContact O-N 3.3Å
104	L	98.9	Very high	98.7	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	18%	0.179	C	C	.	.			trans	-89.5	-16.9	-174.3	-59.3	174.8	0	0	0	112.9	N87 A89 D106 F107 C135 D137 F152	N87-L104 HydrophobicContact CB-CB 4.02Å; N87-L104 PolarHBondContact O-N 3.06Å; A89-L104 HydrophobicContact CB-CD1 4.2Å; A89-L104 HydrophobicContact CB-CG 4.15Å; L104-D106 PolarHBondContact O-N 2.76Å; L104-F107 HydrophobicContact CB-CD1 3.81Å; L104-F107 HydrophobicContact CB-CE1 3.83Å; L104-F107 HydrophobicContact CD1-CD1 3.88Å; L104-F107 HydrophobicContact CD1-CE1 3.41Å; L104-F107 VanDerWaalsContact CD1-CE1 3.41Å; L104-F107 HydrophobicContact CD1-CZ 4.46Å; L104-F107 HydrophobicContact CG-CD1 4.43Å; L104-F107 HydrophobicContact CG-CE1 4.25Å; L104-F107 PolarHBondContact O-N 2.72Å; L104-F107 VanDerWaalsContact O-N 3.1Å; L104-C135 HydrophobicContact CD2-CB 4.23Å; L104-C135 PolarHBondContact O-SG 3.38Å; L104-D137 HydrophobicContact CD2-CB 3.9Å; L104-F152 HydrophobicContact CD1-CD1 4.25Å; L104-F152 HydrophobicContact CD1-CE1 4.47Å; L104-F152 HydrophobicContact CD2-CB 3.65Å; L104-F152 HydrophobicContact CD2-CD1 3.84Å; L104-F152 HydrophobicContact CD2-CG 3.87Å
105	G	98.7	Very high	98.7	Very high	7 Å²	7	33.2 Å²	33.2	7%	0.072	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-120.4	-179.7	0	0	0	0	0	111.5	A86 N87 T110	A86-G105 PolarHBondContact O-N 3.21Å; A86-G105 VanDerWaalsContact O-N 3.14Å; N87-G105 PolarHBondContact ND2-O 3.3Å; G105-T110 WeakPolarHBondContact CA-O 3.13Å
106	D	98.6	Very high	98.7	Very high	68 Å²	68	29.5 Å²	29.5	36%	0.364	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	7.8	178.9	76.1	-20.4	0	0	0	114.7	L104 K108 S109 T110	L104-D106 PolarHBondContact O-N 2.76Å; D106-K108 PolarHBondContact O-N 2.74Å; D106-K108 WeakPolarHBondContact OD1-CA 3.45Å; D106-K108 WeakPolarHBondContact OD1-CB 3.43Å; D106-K108 PolarHBondContact OD1-N 3.02Å; D106-S109 PolarHBondContact OD1-N 3.46Å; D106-T110 WeakPolarHBondContact CB-OG1 3.38Å; D106-T110 VanDerWaalsContact CG-OG1 3.27Å; D106-T110 PolarHBondContact N-OG1 3.07Å; D106-T110 PolarHBondContact OD1-N 2.77Å; D106-T110 VanDerWaalsContact OD1-N 3.16Å; D106-T110 PolarHBondContact OD1-OG1 2.66Å
107	F	98.4	Very high	98.8	Very high	103 Å²	103	27 Å²	27	45%	0.452	15%	0.146	S	C	.	.	S	Bend	trans	62.7	17.7	-172.3	-52.3	-83.6	0	0	0	114.7	N87 L104	N87-F107 HydrophobicContact CB-CE1 4.31Å; N87-F107 HydrophobicContact CB-CE2 4.33Å; N87-F107 HydrophobicContact CB-CZ 3.81Å; N87-F107 VanDerWaalsContact CG-CZ 3.42Å; N87-F107 WeakPolarHBondContact ND2-CE2 3.06Å; L104-F107 HydrophobicContact CB-CD1 3.81Å; L104-F107 HydrophobicContact CB-CE1 3.83Å; L104-F107 HydrophobicContact CD1-CD1 3.88Å; L104-F107 HydrophobicContact CD1-CE1 3.41Å; L104-F107 VanDerWaalsContact CD1-CE1 3.41Å; L104-F107 HydrophobicContact CD1-CZ 4.46Å; L104-F107 HydrophobicContact CG-CD1 4.43Å; L104-F107 HydrophobicContact CG-CE1 4.25Å; L104-F107 PolarHBondContact O-N 2.72Å; L104-F107 VanDerWaalsContact O-N 3.1Å
108	K	98.4	Very high	98.8	Very high	153 Å²	153	28.5 Å²	28.5	67%	0.665	14%	0.142	S	C	*	.	S	Bend	trans	-125.4	-51.9	177.6	-59	176.1	-176.6	172.4	0	112.5	D106 C135 R153	D106-K108 PolarHBondContact O-N 2.74Å; D106-K108 WeakPolarHBondContact OD1-CA 3.45Å; D106-K108 WeakPolarHBondContact OD1-CB 3.43Å; D106-K108 PolarHBondContact OD1-N 3.02Å; K108-C135 VanDerWaalsContact C-SG 3.53Å; K108-C135 PolarHBondContact N-SG 2.88Å; K108-C135 VanDerWaalsContact N-SG 3.4Å; K108-R153 WeakPolarHBondContact O-CD 3.1Å
109	S	98.3	Very high	98.8	Very high	50 Å²	50	30 Å²	30	35%	0.35	16%	0.155	S	C	.	.	S	Bend	trans	-161.2	0.9	-177.8	66.7	0	0	0	0	115.9	D106 C135	D106-S109 PolarHBondContact OD1-N 3.46Å; S109-C135 PolarHBondContact N-SG 2.81Å
110	T	98.7	Very high	98.7	Very high	38 Å²	38	30.7 Å²	30.7	23%	0.233	16%	0.162	C	C	.	.			trans	-104.6	25.5	-176	63.3	0	0	0	0	113.5	G105 D106 D129 L130	G105-T110 WeakPolarHBondContact CA-O 3.13Å; D106-T110 WeakPolarHBondContact CB-OG1 3.38Å; D106-T110 VanDerWaalsContact CG-OG1 3.27Å; D106-T110 PolarHBondContact N-OG1 3.07Å; D106-T110 PolarHBondContact OD1-N 2.77Å; D106-T110 VanDerWaalsContact OD1-N 3.16Å; D106-T110 PolarHBondContact OD1-OG1 2.66Å; T110-D129 WeakPolarHBondContact O-CB 2.75Å; T110-L130 HydrophobicContact CG2-CD2 3.8Å
111	G	98.8	Very high	98.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.186	C	C	.	.			trans	-87.5	175.1	171.5	0	0	0	0	0	112.3	Y103 D129 Y134	Y103-G111 CarbonylContact O-C 3.55Å; Y103-G111 WeakPolarHBondContact O-CA 3.49Å; G111-D129 WeakPolarHBondContact O-CA 3.15Å; G111-Y134 CarbonylContact C-O 3.52Å; G111-Y134 WeakPolarHBondContact CA-O 3.31Å; G111-Y134 PolarHBondContact N-O 3.42Å
112	G	98.8	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.1	-160.8	-174.4	0	0	0	0	0	112.3	Y103	Y103-G112 VanDerWaalsContact CD1-C 3.49Å; Y103-G112 WeakPolarHBondContact CD1-O 3.45Å; Y103-G112 WeakPolarHBondContact CE1-O 3.38Å; Y103-G112 VanDerWaalsContact CE2-N 3.29Å; Y103-G112 VanDerWaalsContact CZ-CA 3.45Å; Y103-G112 PolarHBondContact N-O 2.66Å; Y103-G112 PolarHBondContact O-N 2.87Å
113	I	98.9	Very high	98.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.4	174.9	-56.5	171.3	0	0	0	108.3	F100 V101 Y103 I126 I127 I136 M139 F147 F149	F100-I113 HydrophobicContact CB-CG2 4.18Å; F100-I113 HydrophobicContact CD1-CG2 4.04Å; V101-I113 WeakPolarHBondContact O-CA 3.14Å; Y103-I113 VanDerWaalsContact CE1-N 3.34Å; I113-I126 HydrophobicContact CB-CB 4.2Å; I113-I126 HydrophobicContact CG2-CB 4.06Å; I113-I126 HydrophobicContact CG2-CG1 4.43Å; I113-I126 HydrophobicContact CG2-CG2 4.39Å; I113-I126 WeakPolarHBondContact O-CA 3.31Å; I113-I126 WeakPolarHBondContact O-CB 3.17Å; I113-I126 PolarHBondContact O-N 2.85Å; I113-I127 HydrophobicContact CB-CB 4.22Å; I113-I127 HydrophobicContact CB-CG1 4.32Å; I113-I127 HydrophobicContact CD1-CG1 4.05Å; I113-I127 HydrophobicContact CG1-CB 4.39Å; I113-I127 HydrophobicContact CG1-CG1 4.3Å; I113-I127 PolarHBondContact N-O 2.8Å; I113-I127 PolarHBondContact O-N 3.33Å; I113-I136 HydrophobicContact CD1-CD1 3.96Å; I113-I136 HydrophobicContact CD1-CG2 4.07Å; I113-I136 HydrophobicContact CG1-CB 4.26Å; I113-I136 HydrophobicContact CG1-CD1 3.74Å; I113-I136 HydrophobicContact CG1-CG2 3.93Å; I113-M139 HydrophobicContact CD1-CE 4.45Å; I113-M139 HydrophobicContact CD1-SD 3.98Å; I113-M139 HydrophobicContact CG2-SD 4.17Å; I113-F147 HydrophobicContact CD1-CD2 4.41Å; I113-F147 HydrophobicContact CD1-CE2 3.52Å; I113-F147 HydrophobicContact CD1-CZ 3.99Å; I113-F149 HydrophobicContact CD1-CB 4.32Å
114	F	98.9	Very high	98.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	158.9	166	74.1	-95.1	0	0	0	109.6	H84 K85 F100 V101 Y103 A116 L123 Q124	H84-F114 AromaticContact CE1-CD1 3.76Å; H84-F114 AromaticContact CE1-CD2 3.53Å; H84-F114 AromaticContact CE1-CE1 3.97Å; H84-F114 AromaticContact CE1-CE2 3.76Å; H84-F114 AromaticContact CE1-CG 3.53Å; H84-F114 AromaticContact CE1-CZ 3.97Å; K85-F114 HydrophobicContact CB-CD1 4.28Å; K85-F114 HydrophobicContact CB-CE1 4.24Å; K85-F114 HydrophobicContact CG-CD1 3.78Å; K85-F114 HydrophobicContact CG-CE1 4.16Å; F100-F114 CarbonylContact C-O 3.47Å; F100-F114 WeakPolarHBondContact CA-O 3.32Å; V101-F114 HydrophobicContact CB-CD1 4.02Å; V101-F114 HydrophobicContact CB-CD2 4.33Å; V101-F114 HydrophobicContact CB-CE1 3.53Å; V101-F114 HydrophobicContact CB-CE2 3.88Å; V101-F114 HydrophobicContact CB-CG 4.41Å; V101-F114 HydrophobicContact CB-CZ 3.46Å; V101-F114 VanDerWaalsContact CB-CZ 3.46Å; V101-F114 HydrophobicContact CG1-CD1 4.42Å; V101-F114 HydrophobicContact CG1-CE1 3.6Å; V101-F114 HydrophobicContact CG1-CZ 3.71Å; V101-F114 HydrophobicContact CG2-CD2 4.48Å; V101-F114 HydrophobicContact CG2-CE1 4.26Å; V101-F114 HydrophobicContact CG2-CE2 3.76Å; V101-F114 HydrophobicContact CG2-CZ 3.64Å; V101-F114 PolarHBondContact N-O 2.82Å; V101-F114 PolarHBondContact O-N 2.98Å; V101-F114 VanDerWaalsContact O-N 3.1Å; Y103-F114 AromaticContact CD1-CD1 3.81Å; Y103-F114 HydrophobicContact CD1-CD1 3.81Å; Y103-F114 HydrophobicContact CD1-CE1 4.38Å; Y103-F114 HydrophobicContact CE1-CB 4.45Å; Y103-F114 AromaticContact CE1-CD1 3.89Å; Y103-F114 HydrophobicContact CE1-CD1 3.89Å; F114-A116 HydrophobicContact CD2-CB 4.41Å; F114-A116 HydrophobicContact CE2-CB 4.19Å; F114-L123 HydrophobicContact CD2-CD2 4.26Å; F114-L123 HydrophobicContact CE2-CD2 4.28Å; F114-Q124 CarbonylContact C-O 3.55Å; F114-Q124 VanDerWaalsContact CA-O 3.31Å; F114-Q124 WeakPolarHBondContact CA-O 3.37Å
115	A	98.9	Very high	98.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	154.4	166	0	0	0	0	0	112	L99 F100 L123 Q124 I126	L99-A115 CarbonylContact O-C 3.52Å; L99-A115 WeakPolarHBondContact O-CA 3.2Å; L99-A115 WeakPolarHBondContact O-CB 3.48Å; F100-A115 HydrophobicContact CD1-CB 4.45Å; F100-A115 HydrophobicContact CD2-CB 3.59Å; F100-A115 HydrophobicContact CE2-CB 3.67Å; F100-A115 HydrophobicContact CG-CB 3.99Å; F100-A115 HydrophobicContact CZ-CB 4.16Å; A115-L123 WeakPolarHBondContact O-CA 3.27Å; A115-Q124 HydrophobicContact CB-CG 3.84Å; A115-Q124 PolarHBondContact N-O 3.44Å; A115-Q124 VanDerWaalsContact O-CG 3.31Å; A115-Q124 WeakPolarHBondContact O-CG 3.41Å; A115-Q124 PolarHBondContact O-N 2.87Å; A115-I126 HydrophobicContact CB-CD1 4.39Å; A115-I126 HydrophobicContact CB-CG1 4.05Å
116	A	98.9	Very high	98.6	Very high	2 Å²	2	52.8 Å²	52.8	2%	0.017	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	170.8	-180	0	0	0	0	0	110.9	R98 L99 F114 D121 L123	R98-A116 WeakPolarHBondContact CA-O 3.39Å; L99-A116 PolarHBondContact N-O 3.08Å; L99-A116 PolarHBondContact O-N 2.96Å; F114-A116 HydrophobicContact CD2-CB 4.41Å; F114-A116 HydrophobicContact CE2-CB 4.19Å; A116-D121 WeakPolarHBondContact CA-O 3.5Å; A116-L123 HydrophobicContact CB-CD2 3.73Å
117	T	98.8	Very high	98.6	Very high	37 Å²	37	50 Å²	50	23%	0.227	26%	0.261	C	S	.	.			trans	-72.1	169.9	160.7	71	0	0	0	0	110.5	N119 G120 D121 N122	T117-N119 PolarHBondContact O-N 2.97Å; T117-N119 PolarHBondContact OG1-N 3.12Å; T117-G120 PolarHBondContact O-N 2.84Å; T117-D121 HydrophobicContact CG2-CB 4.26Å; T117-D121 PolarHBondContact N-O 2.98Å; T117-D121 WeakPolarHBondContact OG1-CB 3.29Å; T117-D121 PolarHBondContact OG1-N 3.19Å; T117-D121 VanDerWaalsContact OG1-N 3.13Å; T117-N122 HydrophobicContact CG2-CB 4.24Å; T117-N122 WeakPolarHBondContact CG2-ND2 3.5Å
118	E	98.6	Very high	98.5	Very high	70 Å²	70	50.4 Å²	50.4	33%	0.327	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-15.5	174.3	62.2	172	-134.9	0	0	115	F58 K69 P80 F81 L99	F58-E118 HydrophobicContact CE1-CB 3.92Å; F58-E118 HydrophobicContact CZ-CB 3.59Å; K69-E118 IonicContact NZ-OE1 3.01Å; K69-E118 PolarHBondContact NZ-OE1 2.69Å; K69-E118 IonicContact NZ-OE2 3.36Å; K69-E118 PolarHBondContact NZ-OE2 3.35Å; P80-E118 VanDerWaalsContact CB-O 3.3Å; P80-E118 WeakPolarHBondContact CB-O 3.34Å; P80-E118 WeakPolarHBondContact CG-O 3.47Å; F81-E118 WeakPolarHBondContact CE1-O 3.1Å; L99-E118 HydrophobicContact CD1-CB 4.24Å
119	N	98.7	Very high	98.2	Very high	93 Å²	93	44.8 Å²	44.8	50%	0.497	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	2.4	177.8	-62.3	-44	0	0	0	113.1	T117	T117-N119 PolarHBondContact O-N 2.97Å; T117-N119 PolarHBondContact OG1-N 3.12Å
120	G	98.4	Very high	97.9	Very high	16 Å²	16	49.1 Å²	49.1	17%	0.165	26%	0.26	C	S	.	.	S	Bend	trans	82.1	13.5	-178	0	0	0	0	0	114.3	F81 T117 L123	F81-G120 VanDerWaalsContact CD1-N 3.32Å; T117-G120 PolarHBondContact O-N 2.84Å; G120-L123 WeakPolarHBondContact O-CD2 3.37Å
121	D	98.7	Very high	97.7	Very high	94 Å²	94	51.1 Å²	51.1	50%	0.503	28%	0.276	S	S	.	.			trans	-88	169	176.1	-56.3	-54.1	0	0	0	111.6	A116 T117 L123	A116-D121 WeakPolarHBondContact CA-O 3.5Å; T117-D121 HydrophobicContact CG2-CB 4.26Å; T117-D121 PolarHBondContact N-O 2.98Å; T117-D121 WeakPolarHBondContact OG1-CB 3.29Å; T117-D121 PolarHBondContact OG1-N 3.19Å; T117-D121 VanDerWaalsContact OG1-N 3.13Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 2.97Å
122	N	98.4	Very high	97.6	Very high	126 Å²	126	53.1 Å²	53.1	67%	0.674	29%	0.288	S	S	*	.	S	Bend	trans	53.4	46	178.4	-57.9	-43.1	0	0	0	112.8	T117 Q124	T117-N122 HydrophobicContact CG2-CB 4.24Å; T117-N122 WeakPolarHBondContact CG2-ND2 3.5Å; N122-Q124 PolarHBondContact O-N 3.46Å
123	L	98.6	Very high	97.6	Very high	88 Å²	88	55.3 Å²	55.3	46%	0.461	31%	0.306	S	S	.	.			trans	-56.9	127.9	176.7	-60.3	179.4	0	0	0	110.4	F114 A115 A116 G120 D121	F114-L123 HydrophobicContact CD2-CD2 4.26Å; F114-L123 HydrophobicContact CE2-CD2 4.28Å; A115-L123 WeakPolarHBondContact O-CA 3.27Å; A116-L123 HydrophobicContact CB-CD2 3.73Å; G120-L123 WeakPolarHBondContact O-CD2 3.37Å; D121-L123 VanDerWaalsContact C-N 3.31Å; D121-L123 PolarHBondContact O-N 2.97Å
124	Q	98.4	Very high	97.5	Very high	63 Å²	63	57.4 Å²	57.4	29%	0.294	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	125.2	179.4	41.5	165.3	89.6	0	0	109.4	F114 A115 N122 I126	F114-Q124 CarbonylContact C-O 3.55Å; F114-Q124 VanDerWaalsContact CA-O 3.31Å; F114-Q124 WeakPolarHBondContact CA-O 3.37Å; A115-Q124 HydrophobicContact CB-CG 3.84Å; A115-Q124 PolarHBondContact N-O 3.44Å; A115-Q124 VanDerWaalsContact O-CG 3.31Å; A115-Q124 WeakPolarHBondContact O-CG 3.41Å; A115-Q124 PolarHBondContact O-N 2.87Å; N122-Q124 PolarHBondContact O-N 3.46Å; Q124-I126 PolarHBondContact O-N 2.79Å
125	D	98.5	Very high	97.5	Very high	84 Å²	84	57.4 Å²	57.4	45%	0.449	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	126.1	170	-66.1	-61.2	0	0	0	109.2	K85 E128	K85-D125 IonicContact NZ-OD1 3.65Å; D125-E128 HydrophobicContact CB-CG 4.17Å
126	I	98.6	Very high	97.5	Very high	23 Å²	23	57.4 Å²	57.4	12%	0.118	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	-47.4	173.8	-62.4	-63.1	0	0	0	109.4	F100 I113 A115 Q124 F147 F170	F100-I126 HydrophobicContact CD1-CD1 4.49Å; F100-I126 HydrophobicContact CD1-CG1 3.88Å; F100-I126 HydrophobicContact CD1-CG2 4.29Å; F100-I126 HydrophobicContact CE1-CB 4.3Å; F100-I126 HydrophobicContact CE1-CD1 3.66Å; F100-I126 HydrophobicContact CE1-CG1 3.53Å; F100-I126 HydrophobicContact CE1-CG2 3.92Å; F100-I126 HydrophobicContact CZ-CD1 3.83Å; F100-I126 HydrophobicContact CZ-CG1 4.1Å; I113-I126 HydrophobicContact CB-CB 4.2Å; I113-I126 HydrophobicContact CG2-CB 4.06Å; I113-I126 HydrophobicContact CG2-CG1 4.43Å; I113-I126 HydrophobicContact CG2-CG2 4.39Å; I113-I126 WeakPolarHBondContact O-CA 3.31Å; I113-I126 WeakPolarHBondContact O-CB 3.17Å; I113-I126 PolarHBondContact O-N 2.85Å; A115-I126 HydrophobicContact CB-CD1 4.39Å; A115-I126 HydrophobicContact CB-CG1 4.05Å; Q124-I126 PolarHBondContact O-N 2.79Å; I126-F147 HydrophobicContact CG2-CE1 3.97Å; I126-F147 HydrophobicContact CG2-CZ 3.68Å; I126-F170 HydrophobicContact CD1-CD2 3.85Å; I126-F170 HydrophobicContact CD1-CE2 4.05Å; I126-F170 HydrophobicContact CG2-CG 4.37Å
127	I	98.4	Very high	97.5	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.051	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	114.6	168	-59.3	-63.9	0	0	0	106.6	I113 T132 Y134 I136 V166 V173	I113-I127 HydrophobicContact CB-CB 4.22Å; I113-I127 HydrophobicContact CB-CG1 4.32Å; I113-I127 HydrophobicContact CD1-CG1 4.05Å; I113-I127 HydrophobicContact CG1-CB 4.39Å; I113-I127 HydrophobicContact CG1-CG1 4.3Å; I113-I127 PolarHBondContact N-O 2.8Å; I113-I127 PolarHBondContact O-N 3.33Å; I127-T132 HydrophobicContact CG2-CG2 4.19Å; I127-Y134 HydrophobicContact CG2-CD2 4.14Å; I127-I136 HydrophobicContact CB-CD1 4.09Å; I127-I136 HydrophobicContact CG1-CD1 4.22Å; I127-I136 HydrophobicContact CG2-CD1 3.81Å; I127-V166 HydrophobicContact CD1-CG2 4.12Å; I127-V173 HydrophobicContact CD1-CG2 4.06Å
128	E	96.4	Very high	97.5	Very high	112 Å²	112	55.9 Å²	55.9	52%	0.523	31%	0.305	S	S	.	.			trans	-68.4	142.9	179.8	-73.1	178.1	-175.6	0	0	111.9	D125 S131 T132	D125-E128 HydrophobicContact CB-CG 4.17Å; E128-S131 WeakPolarHBondContact CB-OG 3.4Å; E128-S131 WeakPolarHBondContact OE2-CB 3.47Å; E128-S131 PolarHBondContact OE2-OG 3.29Å; E128-T132 WeakPolarHBondContact O-CG2 3.45Å; E128-T132 PolarHBondContact O-OG1 3.4Å
129	D	91.1	Very high	97.6	Very high	35 Å²	35	52.6 Å²	52.6	19%	0.187	29%	0.289	C	S	.	.	S	Bend	trans	-76.9	-55.3	-175.6	47.4	2.8	0	0	0	113.7	K85 Y103 T110 G111	K85-D129 VanDerWaalsContact NZ-CG 3.35Å; K85-D129 IonicContact NZ-OD1 3.55Å; K85-D129 IonicContact NZ-OD2 2.7Å; K85-D129 PolarHBondContact NZ-OD2 3.01Å; Y103-D129 HydrophobicContact CE2-CB 3.93Å; Y103-D129 WeakPolarHBondContact OH-CB 3.29Å; T110-D129 WeakPolarHBondContact O-CB 2.75Å; G111-D129 WeakPolarHBondContact O-CA 3.15Å
130	L	92.7	Very high	97.6	Very high	141 Å²	141	49.4 Å²	49.4	74%	0.738	27%	0.273	S	S	*	.	S	Bend	trans	-82.1	-15.1	-170.9	-60.4	-177.6	0	0	0	113.5	T110	T110-L130 HydrophobicContact CG2-CD2 3.8Å
131	S	94	Very high	97.6	Very high	80 Å²	80	49.5 Å²	49.5	56%	0.559	27%	0.269	S	S	*	.	S	Bend	trans	-96.3	-10	-179.6	66.8	0	0	0	0	113.4	E128	E128-S131 WeakPolarHBondContact CB-OG 3.4Å; E128-S131 WeakPolarHBondContact OE2-CB 3.47Å; E128-S131 PolarHBondContact OE2-OG 3.29Å
132	T	96.7	Very high	97.6	Very high	41 Å²	41	45 Å²	45	25%	0.252	25%	0.245	S	C	.	.	S	Bend	trans	-116.3	175.6	174.8	75.9	0	0	0	0	111	I127 E128 Y134	I127-T132 HydrophobicContact CG2-CG2 4.19Å; E128-T132 WeakPolarHBondContact O-CG2 3.45Å; E128-T132 PolarHBondContact O-OG1 3.4Å; T132-Y134 HydrophobicContact CG2-CD2 4.12Å; T132-Y134 HydrophobicContact CG2-CE2 4.13Å; T132-Y134 WeakPolarHBondContact OG1-CD2 3.49Å
133	A	98.1	Very high	97.6	Very high	46 Å²	46	41.7 Å²	41.7	38%	0.38	23%	0.232	S	C	.	.			trans	-109.6	3.7	178.1	0	0	0	0	0	112.7	R153	A133-R153 WeakPolarHBondContact O-CD 3.15Å; A133-R153 PolarHBondContact O-NE 2.89Å; A133-R153 PolarHBondContact O-NH1 2.69Å
134	Y	98.7	Very high	97.6	Very high	44 Å²	44	42.8 Å²	42.8	17%	0.173	23%	0.233	C	C	.	.			trans	-78.2	150	-169.4	-52	-56.9	0	0	0	111.3	G111 I127 T132 F149 D151 Y164	G111-Y134 CarbonylContact C-O 3.52Å; G111-Y134 WeakPolarHBondContact CA-O 3.31Å; G111-Y134 PolarHBondContact N-O 3.42Å; I127-Y134 HydrophobicContact CG2-CD2 4.14Å; T132-Y134 HydrophobicContact CG2-CD2 4.12Å; T132-Y134 HydrophobicContact CG2-CE2 4.13Å; T132-Y134 WeakPolarHBondContact OG1-CD2 3.49Å; Y134-F149 HydrophobicContact CD1-CE2 4.26Å; Y134-F149 HydrophobicContact CD1-CZ 4.44Å; Y134-F149 HydrophobicContact CD2-CE2 4.33Å; Y134-F149 HydrophobicContact CD2-CZ 4.02Å; Y134-F149 HydrophobicContact CE1-CZ 4.49Å; Y134-F149 HydrophobicContact CE2-CZ 4.06Å; Y134-F149 HydrophobicContact CG-CE2 4.09Å; Y134-F149 HydrophobicContact CG-CZ 4.22Å; Y134-D151 WeakPolarHBondContact CA-OD1 3.38Å; Y134-D151 HydrophobicContact CD1-CB 4.4Å; Y134-Y164 HydrophobicContact CD1-CE2 4.11Å; Y134-Y164 HydrophobicContact CE1-CD1 4.26Å; Y134-Y164 HydrophobicContact CE1-CD2 4.18Å; Y134-Y164 AromaticContact CE1-CE1 3.82Å; Y134-Y164 HydrophobicContact CE1-CE1 3.82Å; Y134-Y164 AromaticContact CE1-CE2 3.74Å; Y134-Y164 HydrophobicContact CE1-CE2 3.74Å; Y134-Y164 HydrophobicContact CE1-CG 4.45Å; Y134-Y164 AromaticContact CE1-CZ 3.55Å
135	C	98.8	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.			trans	-119.2	106.4	158.7	-70.4	0	0	0	0	106.7	L104 K108 S109 D151 F152 R153	L104-C135 HydrophobicContact CD2-CB 4.23Å; L104-C135 PolarHBondContact O-SG 3.38Å; K108-C135 VanDerWaalsContact C-SG 3.53Å; K108-C135 PolarHBondContact N-SG 2.88Å; K108-C135 VanDerWaalsContact N-SG 3.4Å; S109-C135 PolarHBondContact N-SG 2.81Å; C135-D151 PolarHBondContact N-OD1 3.15Å; C135-D151 VanDerWaalsContact N-OD1 3.09Å; C135-F152 WeakPolarHBondContact O-CA 3.47Å; C135-F152 VanDerWaalsContact O-CB 3.27Å; C135-F152 WeakPolarHBondContact O-CB 3.33Å; C135-F152 PolarHBondContact O-N 2.94Å; C135-R153 HydrophobicContact CB-CG 3.75Å
136	I	98.9	Very high	97.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.9	-166.8	-55.9	179.6	0	0	0	109.6	C102 Y103 I113 I127 F149 T150	C102-I136 CarbonylContact C-O 3.53Å; C102-I136 HydrophobicContact CB-CB 4.47Å; C102-I136 HydrophobicContact CB-CG2 3.94Å; C102-I136 WeakPolarHBondContact CB-O 3.43Å; Y103-I136 CarbonylContact C-O 3.38Å; Y103-I136 VanDerWaalsContact C-O 3.23Å; Y103-I136 PolarHBondContact N-O 3.16Å; Y103-I136 VanDerWaalsContact N-O 3.13Å; Y103-I136 PolarHBondContact O-N 3.3Å; I113-I136 HydrophobicContact CD1-CD1 3.96Å; I113-I136 HydrophobicContact CD1-CG2 4.07Å; I113-I136 HydrophobicContact CG1-CB 4.26Å; I113-I136 HydrophobicContact CG1-CD1 3.74Å; I113-I136 HydrophobicContact CG1-CG2 3.93Å; I127-I136 HydrophobicContact CB-CD1 4.09Å; I127-I136 HydrophobicContact CG1-CD1 4.22Å; I127-I136 HydrophobicContact CG2-CD1 3.81Å; I136-F149 HydrophobicContact CB-CD2 4.37Å; I136-F149 HydrophobicContact CD1-CD1 4.46Å; I136-F149 HydrophobicContact CD1-CD2 3.61Å; I136-F149 HydrophobicContact CD1-CE1 4.42Å; I136-F149 HydrophobicContact CD1-CE2 3.59Å; I136-F149 HydrophobicContact CD1-CG 4.07Å; I136-F149 HydrophobicContact CD1-CZ 4Å; I136-F149 HydrophobicContact CG1-CD2 3.7Å; I136-F149 HydrophobicContact CG1-CE2 3.82Å; I136-F149 HydrophobicContact CG2-CB 3.82Å; I136-F149 HydrophobicContact CG2-CD2 3.82Å; I136-F149 HydrophobicContact CG2-CG 4.1Å; I136-T150 WeakPolarHBondContact CA-O 3.42Å
137	D	98.9	Very high	97.7	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-58.2	-177.1	-171.4	-106.7	0	0	0	111.5	A89 A90 C102 L104 T150 F152 N184	A89-D137 VanDerWaalsContact CB-O 3.31Å; A89-D137 WeakPolarHBondContact CB-O 3.45Å; A89-D137 WeakPolarHBondContact CB-OD2 3.4Å; A90-D137 WeakPolarHBondContact CB-O 3.45Å; A90-D137 PolarHBondContact N-O 2.8Å; C102-D137 WeakPolarHBondContact CB-O 3.41Å; L104-D137 HydrophobicContact CD2-CB 3.9Å; D137-T150 PolarHBondContact N-O 2.92Å; D137-F152 HydrophobicContact CB-CB 3.67Å; D137-F152 HydrophobicContact CB-CD2 3.47Å; D137-F152 VanDerWaalsContact CB-CD2 3.47Å; D137-F152 HydrophobicContact CB-CE2 4.32Å; D137-F152 HydrophobicContact CB-CG 3.75Å; D137-N184 VanDerWaalsContact OD1-CG 3.31Å; D137-N184 PolarHBondContact OD1-OD1 2.8Å
138	D	98.9	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	166.9	179.6	-153.6	-5.2	0	0	0	112.2	A90 K92 F149 T150 I186 H283	A90-D138 HydrophobicContact CB-CB 4.05Å; A90-D138 WeakPolarHBondContact CB-OD1 3.31Å; K92-D138 WeakPolarHBondContact CE-OD1 3.37Å; K92-D138 IonicContact NZ-OD1 2.66Å; K92-D138 PolarHBondContact NZ-OD1 3.01Å; K92-D138 IonicContact NZ-OD2 3.78Å; K92-D138 PolarHBondContact NZ-OD2 3.18Å; D138-F149 WeakPolarHBondContact O-CA 3.1Å; D138-T150 PolarHBondContact N-OG1 3.01Å; D138-T150 VanDerWaalsContact N-OG1 3.12Å; D138-T150 PolarHBondContact O-N 3.46Å; D138-T150 PolarHBondContact O-OG1 3.15Å; D138-I186 HydrophobicContact CB-CG2 4.27Å; D138-H283 IonicContact OD2-CE1 3.38Å
139	M	98.9	Very high	97.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	162.7	177.1	69.6	-175.6	-71.9	0	0	112.2	K92 F100 C102 I113 F141 F147 Y148 F149	K92-M139 HydrophobicContact CB-CG 3.95Å; K92-M139 HydrophobicContact CB-SD 4.35Å; K92-M139 WeakPolarHBondContact CE-O 3.07Å; K92-M139 HydrophobicContact CG-CG 3.52Å; K92-M139 VanDerWaalsContact CG-O 3.29Å; K92-M139 WeakPolarHBondContact CG-O 3.25Å; F100-M139 HydrophobicContact CB-CE 4.22Å; F100-M139 HydrophobicContact CB-SD 3.76Å; F100-M139 HydrophobicContact CD1-CE 3.85Å; F100-M139 HydrophobicContact CD1-SD 4.33Å; F100-M139 HydrophobicContact CG-CE 4.38Å; C102-M139 VanDerWaalsContact SG-CG 3.59Å; C102-M139 VanDerWaalsContact SG-SD 3.61Å; I113-M139 HydrophobicContact CD1-CE 4.45Å; I113-M139 HydrophobicContact CD1-SD 3.98Å; I113-M139 HydrophobicContact CG2-SD 4.17Å; M139-F141 HydrophobicContact CE-CE1 3.99Å; M139-F141 HydrophobicContact CE-CE2 3.96Å; M139-F141 HydrophobicContact CE-CZ 3.67Å; M139-F147 HydrophobicContact CB-CD2 4.35Å; M139-F147 HydrophobicContact CE-CB 3.68Å; M139-F147 HydrophobicContact CE-CD1 3.62Å; M139-F147 HydrophobicContact CE-CD2 3.36Å; M139-F147 HydrophobicContact CE-CE1 3.99Å; M139-F147 HydrophobicContact CE-CE2 3.77Å; M139-F147 HydrophobicContact CE-CG 3.27Å; M139-F147 HydrophobicContact CE-CZ 4.06Å; M139-Y148 CarbonylContact C-O 3.52Å; M139-Y148 WeakPolarHBondContact CA-O 3.28Å; M139-Y148 VanDerWaalsContact CB-O 3.3Å; M139-Y148 WeakPolarHBondContact CB-O 3.23Å; M139-F149 HydrophobicContact CB-CB 4.01Å
140	V	98.9	Very high	98.2	Very high	27 Å²	27	27.6 Å²	27.6	16%	0.164	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	125.2	172.4	62.1	0	0	0	0	110.2	F147 Y148 I186 L188 L195	V140-F147 CarbonylContact O-C 3.59Å; V140-F147 WeakPolarHBondContact O-CA 3.18Å; V140-F147 VanDerWaalsContact O-CB 3.29Å; V140-F147 WeakPolarHBondContact O-CB 3.42Å; V140-Y148 HydrophobicContact CG1-CD2 4.22Å; V140-Y148 PolarHBondContact N-O 3.16Å; V140-Y148 PolarHBondContact O-N 3.28Å; V140-I186 HydrophobicContact CB-CG2 4.36Å; V140-I186 HydrophobicContact CG1-CD1 4.35Å; V140-I186 HydrophobicContact CG1-CG1 3.92Å; V140-I186 HydrophobicContact CG1-CG2 4.15Å; V140-L188 HydrophobicContact CG1-CD1 4.34Å; V140-L188 HydrophobicContact CG1-CG 4.11Å; V140-L188 HydrophobicContact CG2-CB 4.46Å; V140-L188 HydrophobicContact CG2-CD1 4.37Å; V140-L188 HydrophobicContact CG2-CG 4.43Å; V140-L195 HydrophobicContact CG1-CD1 4.26Å
141	F	98.9	Very high	98.5	Very high	17 Å²	17	20.9 Å²	20.9	8%	0.075	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	140.6	173.9	-75.1	-73.2	0	0	0	111.2	K92 H94 F100 M139 G146 F147 F321	K92-F141 HydrophobicContact CB-CD2 4.19Å; K92-F141 HydrophobicContact CB-CE2 4Å; H94-F141 HydrophobicContact CB-CE2 4.15Å; H94-F141 HydrophobicContact CB-CZ 4.01Å; H94-F141 AromaticContact CD2-CE1 3.61Å; H94-F141 AromaticContact CD2-CZ 3.68Å; F100-F141 HydrophobicContact CB-CE2 4.5Å; F100-F141 HydrophobicContact CB-CZ 4.34Å; F100-F141 HydrophobicContact CD1-CE1 4.43Å; F100-F141 AromaticContact CD1-CZ 3.71Å; F100-F141 HydrophobicContact CD1-CZ 3.71Å; F100-F141 HydrophobicContact CD2-CE2 4.47Å; F100-F141 AromaticContact CD2-CZ 3.9Å; F100-F141 HydrophobicContact CD2-CZ 3.9Å; F100-F141 HydrophobicContact CE1-CE1 4.28Å; F100-F141 AromaticContact CE1-CZ 3.88Å; F100-F141 HydrophobicContact CE1-CZ 3.88Å; F100-F141 HydrophobicContact CE2-CZ 4.11Å; F100-F141 HydrophobicContact CG-CE2 4.31Å; F100-F141 AromaticContact CG-CZ 3.73Å; F100-F141 HydrophobicContact CG-CZ 3.73Å; F100-F141 HydrophobicContact CZ-CZ 4.1Å; M139-F141 HydrophobicContact CE-CE1 3.99Å; M139-F141 HydrophobicContact CE-CE2 3.96Å; M139-F141 HydrophobicContact CE-CZ 3.67Å; F141-G146 CarbonylContact C-O 3.59Å; F141-G146 VanDerWaalsContact CA-O 3.31Å; F141-G146 WeakPolarHBondContact CA-O 3.33Å; F141-G146 WeakPolarHBondContact CD1-O 3.46Å; F141-F147 HydrophobicContact CD1-CB 3.81Å; F141-F147 HydrophobicContact CD1-CD1 4.18Å; F141-F147 HydrophobicContact CD1-CG 4.44Å; F141-F147 HydrophobicContact CE1-CB 4.17Å; F141-F147 AromaticContact CE1-CD1 3.75Å; F141-F147 HydrophobicContact CE1-CD1 3.75Å; F141-F147 HydrophobicContact CE1-CG 4.32Å; F141-F147 HydrophobicContact CG-CB 4.33Å; F141-F321 HydrophobicContact CB-CB 3.51Å; F141-F321 HydrophobicContact CB-CD1 3.66Å; F141-F321 HydrophobicContact CB-CG 3.69Å; F141-F321 HydrophobicContact CD1-CD1 4.02Å; F141-F321 HydrophobicContact CD1-CE1 4.2Å; F141-F321 HydrophobicContact CD2-CD1 4.02Å; F141-F321 HydrophobicContact CG-CB 4.32Å; F141-F321 AromaticContact CG-CD1 3.64Å; F141-F321 HydrophobicContact CG-CD1 3.64Å; F141-F321 HydrophobicContact CG-CE1 4.28Å; F141-F321 HydrophobicContact CG-CG 4.21Å
142	D	98.9	Very high	98.7	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.106	C	C	.	.			trans	-85	169.2	162.1	73.9	21.1	0	0	0	110.8	K144 G145 G146 Y165 L188 F321	D142-K144 PolarHBondContact O-N 2.92Å; D142-K144 VanDerWaalsContact O-N 3.14Å; D142-K144 VanDerWaalsContact OD1-CA 3.26Å; D142-K144 WeakPolarHBondContact OD1-CA 3.16Å; D142-K144 VanDerWaalsContact OD1-CB 3.26Å; D142-K144 WeakPolarHBondContact OD1-CB 3.39Å; D142-K144 PolarHBondContact OD1-N 3.24Å; D142-K144 WeakPolarHBondContact OD2-CE 3.42Å; D142-K144 IonicContact OD2-NZ 3.67Å; D142-G145 PolarHBondContact O-N 3.17Å; D142-G145 VanDerWaalsContact O-N 3.08Å; D142-G145 PolarHBondContact OD1-N 3.02Å; D142-G146 PolarHBondContact N-O 2.87Å; D142-G146 PolarHBondContact OD1-N 2.78Å; D142-Y165 WeakPolarHBondContact OD2-CE2 3.32Å; D142-Y165 VanDerWaalsContact OD2-CZ 3.32Å; D142-Y165 PolarHBondContact OD2-OH 3.09Å; D142-L188 HydrophobicContact CB-CD1 4.07Å; D142-F321 WeakPolarHBondContact O-CD2 3.42Å
143	S	98.5	Very high	98.8	Very high	56 Å²	56	19.3 Å²	19.3	39%	0.392	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-16.4	178.8	54.6	0	0	0	0	114.7	E192	S143-E192 WeakPolarHBondContact CA-OE1 3.43Å; S143-E192 WeakPolarHBondContact CB-OE1 3.14Å; S143-E192 PolarHBondContact N-OE1 2.88Å; S143-E192 PolarHBondContact N-OE2 3.22Å; S143-E192 PolarHBondContact OG-OE1 2.86Å; S143-E192 PolarHBondContact OG-OE2 2.86Å
144	K	98.4	Very high	98.8	Very high	111 Å²	111	18.4 Å²	18.4	48%	0.483	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-11.5	177.7	-59.5	166	-73.5	-179.5	0	111.9	D142 P168	D142-K144 PolarHBondContact O-N 2.92Å; D142-K144 VanDerWaalsContact O-N 3.14Å; D142-K144 VanDerWaalsContact OD1-CA 3.26Å; D142-K144 WeakPolarHBondContact OD1-CA 3.16Å; D142-K144 VanDerWaalsContact OD1-CB 3.26Å; D142-K144 WeakPolarHBondContact OD1-CB 3.39Å; D142-K144 PolarHBondContact OD1-N 3.24Å; D142-K144 WeakPolarHBondContact OD2-CE 3.42Å; D142-K144 IonicContact OD2-NZ 3.67Å; K144-P168 HydrophobicContact CB-CG 3.88Å; K144-P168 WeakPolarHBondContact O-CB 3.38Å
145	G	98.6	Very high	98.8	Very high	4 Å²	4	22.4 Å²	22.4	4%	0.041	11%	0.112	C	C	.	.	S	Bend	trans	86.3	4.8	-173.9	0	0	0	0	0	114.2	D142	D142-G145 PolarHBondContact O-N 3.17Å; D142-G145 VanDerWaalsContact O-N 3.08Å; D142-G145 PolarHBondContact OD1-N 3.02Å
146	G	98.8	Very high	98.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.136	C	C	.	.			trans	-74.4	172.3	160.5	0	0	0	0	0	109.4	F141 D142 V166	F141-G146 CarbonylContact C-O 3.59Å; F141-G146 VanDerWaalsContact CA-O 3.31Å; F141-G146 WeakPolarHBondContact CA-O 3.33Å; F141-G146 WeakPolarHBondContact CD1-O 3.46Å; D142-G146 PolarHBondContact N-O 2.87Å; D142-G146 PolarHBondContact OD1-N 2.78Å; G146-V166 CarbonylContact C-O 3.52Å; G146-V166 WeakPolarHBondContact CA-O 3.31Å
147	F	98.9	Very high	98.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	152.6	-179.6	59.4	-94.1	0	0	0	112.9	F100 I113 I126 M139 V140 F141 F149 Y165 V166 F170	F100-F147 HydrophobicContact CE1-CE1 4.3Å; I113-F147 HydrophobicContact CD1-CD2 4.41Å; I113-F147 HydrophobicContact CD1-CE2 3.52Å; I113-F147 HydrophobicContact CD1-CZ 3.99Å; I126-F147 HydrophobicContact CG2-CE1 3.97Å; I126-F147 HydrophobicContact CG2-CZ 3.68Å; M139-F147 HydrophobicContact CB-CD2 4.35Å; M139-F147 HydrophobicContact CE-CB 3.68Å; M139-F147 HydrophobicContact CE-CD1 3.62Å; M139-F147 HydrophobicContact CE-CD2 3.36Å; M139-F147 HydrophobicContact CE-CE1 3.99Å; M139-F147 HydrophobicContact CE-CE2 3.77Å; M139-F147 HydrophobicContact CE-CG 3.27Å; M139-F147 HydrophobicContact CE-CZ 4.06Å; V140-F147 CarbonylContact O-C 3.59Å; V140-F147 WeakPolarHBondContact O-CA 3.18Å; V140-F147 VanDerWaalsContact O-CB 3.29Å; V140-F147 WeakPolarHBondContact O-CB 3.42Å; F141-F147 HydrophobicContact CD1-CB 3.81Å; F141-F147 HydrophobicContact CD1-CD1 4.18Å; F141-F147 HydrophobicContact CD1-CG 4.44Å; F141-F147 HydrophobicContact CE1-CB 4.17Å; F141-F147 AromaticContact CE1-CD1 3.75Å; F141-F147 HydrophobicContact CE1-CD1 3.75Å; F141-F147 HydrophobicContact CE1-CG 4.32Å; F141-F147 HydrophobicContact CG-CB 4.33Å; F147-F149 HydrophobicContact CD2-CB 4.4Å; F147-F149 HydrophobicContact CD2-CD1 4.35Å; F147-F149 HydrophobicContact CE2-CB 4.46Å; F147-F149 AromaticContact CE2-CD1 3.94Å; F147-F149 HydrophobicContact CE2-CD1 3.94Å; F147-Y165 CarbonylContact O-C 3.42Å; F147-Y165 WeakPolarHBondContact O-CA 3.27Å; F147-Y165 WeakPolarHBondContact O-CD2 3.48Å; F147-V166 HydrophobicContact CD1-CB 4.07Å; F147-V166 HydrophobicContact CD1-CG1 4.43Å; F147-V166 HydrophobicContact CD2-CB 3.98Å; F147-V166 HydrophobicContact CD2-CG2 3.99Å; F147-V166 HydrophobicContact CE1-CB 3.69Å; F147-V166 HydrophobicContact CE1-CG1 3.69Å; F147-V166 HydrophobicContact CE1-CG2 4.28Å; F147-V166 HydrophobicContact CE2-CB 3.59Å; F147-V166 HydrophobicContact CE2-CG1 4.27Å; F147-V166 HydrophobicContact CE2-CG2 3.32Å; F147-V166 HydrophobicContact CG-CB 4.21Å; F147-V166 HydrophobicContact CZ-CB 3.43Å; F147-V166 VanDerWaalsContact CZ-CB 3.43Å; F147-V166 HydrophobicContact CZ-CG1 3.6Å; F147-V166 HydrophobicContact CZ-CG2 3.5Å; F147-V166 PolarHBondContact N-O 2.78Å; F147-V166 PolarHBondContact O-N 3.07Å; F147-F170 HydrophobicContact CD1-CD1 4.26Å; F147-F170 AromaticContact CD1-CE1 3.98Å; F147-F170 HydrophobicContact CD1-CE1 3.98Å; F147-F170 AromaticContact CE1-CD1 3.62Å; F147-F170 HydrophobicContact CE1-CD1 3.62Å; F147-F170 AromaticContact CE1-CE1 3.68Å; F147-F170 HydrophobicContact CE1-CE1 3.68Å
148	Y	99	Very high	98.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	143.8	166.8	-54.7	-97.6	0	0	0	108.7	M139 V140 Y164 Y165 I176 L188 L195 L210 G214	M139-Y148 CarbonylContact C-O 3.52Å; M139-Y148 WeakPolarHBondContact CA-O 3.28Å; M139-Y148 VanDerWaalsContact CB-O 3.3Å; M139-Y148 WeakPolarHBondContact CB-O 3.23Å; V140-Y148 HydrophobicContact CG1-CD2 4.22Å; V140-Y148 PolarHBondContact N-O 3.16Å; V140-Y148 PolarHBondContact O-N 3.28Å; Y148-Y164 CarbonylContact C-O 3.55Å; Y148-Y164 WeakPolarHBondContact CA-O 3.09Å; Y148-Y165 AromaticContact CD1-CD2 3.86Å; Y148-Y165 HydrophobicContact CD1-CD2 3.86Å; Y148-Y165 HydrophobicContact CD1-CG 4.37Å; Y148-Y165 HydrophobicContact CD2-CD2 4.01Å; Y148-Y165 HydrophobicContact CD2-CE2 4.45Å; Y148-Y165 AromaticContact CE1-CD2 3.64Å; Y148-Y165 HydrophobicContact CE1-CD2 3.64Å; Y148-Y165 HydrophobicContact CE1-CG 4.13Å; Y148-Y165 AromaticContact CE2-CD2 3.77Å; Y148-Y165 HydrophobicContact CE2-CD2 3.77Å; Y148-Y165 AromaticContact CE2-CE2 3.98Å; Y148-Y165 HydrophobicContact CE2-CE2 3.98Å; Y148-Y165 HydrophobicContact CG-CD2 4.04Å; Y148-Y165 AromaticContact CZ-CD2 3.6Å; Y148-I176 HydrophobicContact CD1-CD1 4.41Å; Y148-I176 HydrophobicContact CD1-CG1 3.92Å; Y148-I176 HydrophobicContact CE1-CD1 4.01Å; Y148-I176 HydrophobicContact CE1-CG1 4.02Å; Y148-L188 HydrophobicContact CD2-CD1 3.91Å; Y148-L188 HydrophobicContact CD2-CD2 4.21Å; Y148-L188 HydrophobicContact CD2-CG 4.2Å; Y148-L188 HydrophobicContact CE2-CD1 3.73Å; Y148-L188 HydrophobicContact CE2-CD2 3.8Å; Y148-L188 HydrophobicContact CE2-CG 4.15Å; Y148-L195 HydrophobicContact CD1-CD1 4.25Å; Y148-L195 HydrophobicContact CD1-CD2 3.61Å; Y148-L195 HydrophobicContact CD2-CD1 4.09Å; Y148-L195 HydrophobicContact CE1-CD2 4.07Å; Y148-L195 HydrophobicContact CG-CD1 3.9Å; Y148-L195 HydrophobicContact CG-CD2 4.05Å; Y148-L210 HydrophobicContact CE1-CD1 4.12Å; Y148-G214 WeakPolarHBondContact CE1-O 3.17Å; Y148-G214 WeakPolarHBondContact OH-CA 3.44Å; Y148-G214 PolarHBondContact OH-O 3.05Å
149	F	99	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	156.1	173.3	73.6	-100.7	0	0	0	111.7	I113 Y134 I136 D138 M139 F147 V163 Y164 V166 V173	I113-F149 HydrophobicContact CD1-CB 4.32Å; Y134-F149 HydrophobicContact CD1-CE2 4.26Å; Y134-F149 HydrophobicContact CD1-CZ 4.44Å; Y134-F149 HydrophobicContact CD2-CE2 4.33Å; Y134-F149 HydrophobicContact CD2-CZ 4.02Å; Y134-F149 HydrophobicContact CE1-CZ 4.49Å; Y134-F149 HydrophobicContact CE2-CZ 4.06Å; Y134-F149 HydrophobicContact CG-CE2 4.09Å; Y134-F149 HydrophobicContact CG-CZ 4.22Å; I136-F149 HydrophobicContact CB-CD2 4.37Å; I136-F149 HydrophobicContact CD1-CD1 4.46Å; I136-F149 HydrophobicContact CD1-CD2 3.61Å; I136-F149 HydrophobicContact CD1-CE1 4.42Å; I136-F149 HydrophobicContact CD1-CE2 3.59Å; I136-F149 HydrophobicContact CD1-CG 4.07Å; I136-F149 HydrophobicContact CD1-CZ 4Å; I136-F149 HydrophobicContact CG1-CD2 3.7Å; I136-F149 HydrophobicContact CG1-CE2 3.82Å; I136-F149 HydrophobicContact CG2-CB 3.82Å; I136-F149 HydrophobicContact CG2-CD2 3.82Å; I136-F149 HydrophobicContact CG2-CG 4.1Å; D138-F149 WeakPolarHBondContact O-CA 3.1Å; M139-F149 HydrophobicContact CB-CB 4.01Å; F147-F149 HydrophobicContact CD2-CB 4.4Å; F147-F149 HydrophobicContact CD2-CD1 4.35Å; F147-F149 HydrophobicContact CE2-CB 4.46Å; F147-F149 AromaticContact CE2-CD1 3.94Å; F147-F149 HydrophobicContact CE2-CD1 3.94Å; F149-V163 WeakPolarHBondContact O-CA 3.42Å; F149-Y164 HydrophobicContact CD2-CD2 4.36Å; F149-Y164 VanDerWaalsContact CE1-CB 3.48Å; F149-Y164 HydrophobicContact CE1-CG 4.3Å; F149-Y164 AromaticContact CE2-CD2 3.6Å; F149-Y164 HydrophobicContact CE2-CD2 3.6Å; F149-Y164 HydrophobicContact CE2-CE2 4.47Å; F149-Y164 HydrophobicContact CE2-CG 4.04Å; F149-Y164 VanDerWaalsContact CZ-CB 3.42Å; F149-Y164 AromaticContact CZ-CD2 3.78Å; F149-Y164 HydrophobicContact CZ-CD2 3.78Å; F149-Y164 AromaticContact CZ-CG 3.73Å; F149-Y164 HydrophobicContact CZ-CG 3.73Å; F149-Y164 PolarHBondContact N-O 3.05Å; F149-Y164 PolarHBondContact O-N 2.99Å; F149-Y164 VanDerWaalsContact O-N 3.11Å; F149-V166 HydrophobicContact CD1-CG2 3.72Å; F149-V166 HydrophobicContact CE1-CG2 3.63Å; F149-V173 HydrophobicContact CE1-CG1 4.05Å; F149-V173 HydrophobicContact CZ-CG1 4.27Å
150	T	99	Very high	98.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	132.8	178	49.5	0	0	0	0	111.8	I136 D137 D138 V163 A183 N184 I186 V197	I136-T150 WeakPolarHBondContact CA-O 3.42Å; D137-T150 PolarHBondContact N-O 2.92Å; D138-T150 PolarHBondContact N-OG1 3.01Å; D138-T150 VanDerWaalsContact N-OG1 3.12Å; D138-T150 PolarHBondContact O-N 3.46Å; D138-T150 PolarHBondContact O-OG1 3.15Å; T150-V163 HydrophobicContact CG2-CG2 4.23Å; T150-A183 WeakPolarHBondContact CB-O 3.26Å; T150-A183 HydrophobicContact CG2-CB 3.99Å; T150-N184 VanDerWaalsContact CB-O 3.27Å; T150-N184 WeakPolarHBondContact CB-O 3.4Å; T150-N184 WeakPolarHBondContact CG2-O 3.13Å; T150-N184 PolarHBondContact OG1-O 2.86Å; T150-I186 HydrophobicContact CG2-CB 3.72Å; T150-I186 HydrophobicContact CG2-CD1 3.93Å; T150-I186 HydrophobicContact CG2-CG1 4.35Å; T150-I186 HydrophobicContact CG2-CG2 4.09Å; T150-V197 HydrophobicContact CG2-CG1 4.24Å
151	D	98.9	Very high	98.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	105.1	173.4	-178.3	25	0	0	0	109.8	Y134 C135 R153 G161 G162 Y164	Y134-D151 WeakPolarHBondContact CA-OD1 3.38Å; Y134-D151 HydrophobicContact CD1-CB 4.4Å; C135-D151 PolarHBondContact N-OD1 3.15Å; C135-D151 VanDerWaalsContact N-OD1 3.09Å; D151-R153 VanDerWaalsContact CG-NE 3.31Å; D151-R153 PolarHBondContact O-N 3.01Å; D151-R153 WeakPolarHBondContact OD1-CD 3.18Å; D151-R153 WeakPolarHBondContact OD1-CG 3.5Å; D151-R153 IonicContact OD1-CZ 2.72Å; D151-R153 IonicContact OD1-NE 3.29Å; D151-R153 PolarHBondContact OD1-NE 3.02Å; D151-R153 IonicContact OD1-NH2 3.79Å; D151-R153 IonicContact OD2-CZ 3.56Å; D151-R153 VanDerWaalsContact OD2-CZ 3.3Å; D151-R153 IonicContact OD2-NE 2.71Å; D151-R153 PolarHBondContact OD2-NE 2.81Å; D151-R153 IonicContact OD2-NH2 3.07Å; D151-R153 PolarHBondContact OD2-NH2 3.27Å; D151-G161 WeakPolarHBondContact O-CA 3.5Å; D151-G162 PolarHBondContact N-O 2.8Å; D151-G162 PolarHBondContact O-N 3.09Å; D151-Y164 HydrophobicContact CB-CD2 4.24Å; D151-Y164 HydrophobicContact CB-CE2 3.73Å
152	F	98.9	Very high	98.7	Very high	47 Å²	47	37.5 Å²	37.5	21%	0.206	21%	0.205	C	C	.	.			trans	-86.2	53.2	-169.4	-163	-94.5	0	0	0	112.1	L104 C135 D137 V182 A183 N184	L104-F152 HydrophobicContact CD1-CD1 4.25Å; L104-F152 HydrophobicContact CD1-CE1 4.47Å; L104-F152 HydrophobicContact CD2-CB 3.65Å; L104-F152 HydrophobicContact CD2-CD1 3.84Å; L104-F152 HydrophobicContact CD2-CG 3.87Å; C135-F152 WeakPolarHBondContact O-CA 3.47Å; C135-F152 VanDerWaalsContact O-CB 3.27Å; C135-F152 WeakPolarHBondContact O-CB 3.33Å; C135-F152 PolarHBondContact O-N 2.94Å; D137-F152 HydrophobicContact CB-CB 3.67Å; D137-F152 HydrophobicContact CB-CD2 3.47Å; D137-F152 VanDerWaalsContact CB-CD2 3.47Å; D137-F152 HydrophobicContact CB-CE2 4.32Å; D137-F152 HydrophobicContact CB-CG 3.75Å; F152-V182 HydrophobicContact CD1-CG1 3.78Å; F152-V182 HydrophobicContact CD2-CG1 3.42Å; F152-V182 VanDerWaalsContact CD2-CG1 3.42Å; F152-V182 HydrophobicContact CE1-CG1 3.67Å; F152-V182 HydrophobicContact CE2-CG1 3.3Å; F152-V182 HydrophobicContact CG-CG1 3.64Å; F152-V182 HydrophobicContact CZ-CG1 3.43Å; F152-V182 VanDerWaalsContact CZ-CG1 3.43Å; F152-A183 WeakPolarHBondContact CA-O 3.3Å; F152-A183 VanDerWaalsContact CD2-O 3.25Å; F152-A183 WeakPolarHBondContact CD2-O 3.34Å; F152-N184 HydrophobicContact CD2-CB 3.98Å; F152-N184 HydrophobicContact CE2-CB 3.7Å; F152-N184 WeakPolarHBondContact CE2-ND2 3.41Å
153	R	98.9	Very high	98.8	Very high	41 Å²	41	37.4 Å²	37.4	16%	0.155	21%	0.205	C	C	.	.			trans	-121.5	157.2	-175.9	-65.8	-174.9	-56.2	128.8	9.6	112.5	K108 A133 C135 D151 L160 G161 V182	K108-R153 WeakPolarHBondContact O-CD 3.1Å; A133-R153 WeakPolarHBondContact O-CD 3.15Å; A133-R153 PolarHBondContact O-NE 2.89Å; A133-R153 PolarHBondContact O-NH1 2.69Å; C135-R153 HydrophobicContact CB-CG 3.75Å; D151-R153 VanDerWaalsContact CG-NE 3.31Å; D151-R153 PolarHBondContact O-N 3.01Å; D151-R153 WeakPolarHBondContact OD1-CD 3.18Å; D151-R153 WeakPolarHBondContact OD1-CG 3.5Å; D151-R153 IonicContact OD1-CZ 2.72Å; D151-R153 IonicContact OD1-NE 3.29Å; D151-R153 PolarHBondContact OD1-NE 3.02Å; D151-R153 IonicContact OD1-NH2 3.79Å; D151-R153 IonicContact OD2-CZ 3.56Å; D151-R153 VanDerWaalsContact OD2-CZ 3.3Å; D151-R153 IonicContact OD2-NE 2.71Å; D151-R153 PolarHBondContact OD2-NE 2.81Å; D151-R153 IonicContact OD2-NH2 3.07Å; D151-R153 PolarHBondContact OD2-NH2 3.27Å; R153-L160 HydrophobicContact CB-CB 3.98Å; R153-L160 PolarHBondContact NH2-O 3.26Å; R153-G161 PolarHBondContact O-N 2.96Å; R153-G161 VanDerWaalsContact O-N 3.09Å; R153-V182 PolarHBondContact O-N 2.95Å
154	G	98.7	Very high	98.8	Very high	27 Å²	27	35.5 Å²	35.5	28%	0.278	19%	0.189	S	C	.	.			trans	93.5	-157.6	177.8	0	0	0	0	0	112.9	N158 V182	G154-N158 CarbonylContact C-O 3.53Å; G154-N158 WeakPolarHBondContact CA-O 3.25Å; G154-V182 VanDerWaalsContact O-CG2 3.27Å; G154-V182 WeakPolarHBondContact O-CG2 3.39Å
155	Y	98.8	Very high	98.8	Very high	127 Å²	127	30.9 Å²	30.9	50%	0.498	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-160.9	-175.1	177.2	54	-97.7	0	0	0	109.1	T157 N158 S181 T201	Y155-T157 VanDerWaalsContact C-N 3.28Å; Y155-T157 WeakPolarHBondContact CE2-OG1 3.47Å; Y155-T157 PolarHBondContact O-N 3.45Å; Y155-N158 HydrophobicContact CD1-CB 3.82Å; Y155-N158 HydrophobicContact CD2-CB 3.83Å; Y155-N158 HydrophobicContact CE1-CB 3.47Å; Y155-N158 VanDerWaalsContact CE1-CB 3.47Å; Y155-N158 WeakPolarHBondContact CE1-ND2 3.46Å; Y155-N158 HydrophobicContact CE2-CB 3.47Å; Y155-N158 VanDerWaalsContact CE2-CB 3.47Å; Y155-N158 HydrophobicContact CG-CB 3.98Å; Y155-N158 PolarHBondContact N-O 3.38Å; Y155-N158 CarbonylContact O-C 3.59Å; Y155-N158 PolarHBondContact O-N 2.77Å; Y155-S181 VanDerWaalsContact O-CB 3.23Å; Y155-S181 WeakPolarHBondContact O-CB 3.47Å; Y155-S181 PolarHBondContact O-OG 3.23Å; Y155-T201 VanDerWaalsContact C-OG1 3.24Å
156	S	98.2	Very high	98.8	Very high	71 Å²	71	30.7 Å²	30.7	50%	0.497	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.8	-44.6	-171.7	59.7	0	0	0	0	116	S181 T201	S156-S181 PolarHBondContact O-OG 2.95Å; S156-T201 PolarHBondContact N-OG1 3.26Å
157	T	98.5	Very high	98.8	Very high	120 Å²	120	31.5 Å²	31.5	74%	0.736	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	7.4	-178.6	53.5	0	0	0	0	113.8	Y155	Y155-T157 VanDerWaalsContact C-N 3.28Å; Y155-T157 WeakPolarHBondContact CE2-OG1 3.47Å; Y155-T157 PolarHBondContact O-N 3.45Å
158	N	98.8	Very high	98.8	Very high	49 Å²	49	34.3 Å²	34.3	26%	0.262	19%	0.19	S	C	.	.	B	Isolated β-bridge	trans	-129	81.4	178.6	-178.6	33.4	0	0	0	109.4	G154 Y155 L160	G154-N158 CarbonylContact C-O 3.53Å; G154-N158 WeakPolarHBondContact CA-O 3.25Å; Y155-N158 HydrophobicContact CD1-CB 3.82Å; Y155-N158 HydrophobicContact CD2-CB 3.83Å; Y155-N158 HydrophobicContact CE1-CB 3.47Å; Y155-N158 VanDerWaalsContact CE1-CB 3.47Å; Y155-N158 WeakPolarHBondContact CE1-ND2 3.46Å; Y155-N158 HydrophobicContact CE2-CB 3.47Å; Y155-N158 VanDerWaalsContact CE2-CB 3.47Å; Y155-N158 HydrophobicContact CG-CB 3.98Å; Y155-N158 PolarHBondContact N-O 3.38Å; Y155-N158 CarbonylContact O-C 3.59Å; Y155-N158 PolarHBondContact O-N 2.77Å; N158-L160 VanDerWaalsContact C-N 3.26Å; N158-L160 WeakPolarHBondContact ND2-CD1 3.27Å; N158-L160 PolarHBondContact O-N 3Å
159	P	98.7	Very high	98.8	Very high	46 Å²	46	38.4 Å²	38.4	30%	0.299	21%	0.213	S	C	.	.			trans	-80	68.3	-170.9	34.4	-37.8	0	0	0	111.9	G161 N179 I180 S181	P159-G161 VanDerWaalsContact C-N 3.3Å; P159-N179 HydrophobicContact CB-CB 4.31Å; P159-N179 HydrophobicContact CG-CB 4.29Å; P159-N179 WeakPolarHBondContact O-CA 3.25Å; P159-I180 CarbonylContact C-O 3.57Å; P159-S181 WeakPolarHBondContact CB-OG 3.49Å
160	L	98.8	Very high	98.7	Very high	82 Å²	82	40.7 Å²	40.7	43%	0.429	22%	0.223	S	C	.	.			trans	-74.2	-23.1	-179.9	-64.1	-179.4	0	0	0	113.5	R153 N158	R153-L160 HydrophobicContact CB-CB 3.98Å; R153-L160 PolarHBondContact NH2-O 3.26Å; N158-L160 VanDerWaalsContact C-N 3.26Å; N158-L160 WeakPolarHBondContact ND2-CD1 3.27Å; N158-L160 PolarHBondContact O-N 3Å
161	G	98.8	Very high	98.7	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	178.1	-177.3	0	0	0	0	0	113.7	D151 R153 P159 N179 I180	D151-G161 WeakPolarHBondContact O-CA 3.5Å; R153-G161 PolarHBondContact O-N 2.96Å; R153-G161 VanDerWaalsContact O-N 3.09Å; P159-G161 VanDerWaalsContact C-N 3.3Å; G161-N179 PolarHBondContact O-N 2.79Å; G161-I180 CarbonylContact C-O 3.51Å; G161-I180 WeakPolarHBondContact CA-O 3.44Å; G161-I180 PolarHBondContact N-O 3.29Å; G161-I180 PolarHBondContact O-N 3.05Å
162	G	98.8	Very high	98.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-170.4	-175.9	0	0	0	0	0	111.1	D151 I177 A183	D151-G162 PolarHBondContact N-O 2.8Å; D151-G162 PolarHBondContact O-N 3.09Å; G162-I177 CarbonylContact C-O 3.58Å; G162-I177 VanDerWaalsContact CA-O 3.27Å; G162-I177 WeakPolarHBondContact CA-O 3.4Å; G162-A183 WeakPolarHBondContact O-CB 3.1Å
163	V	99	Very high	98.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	137	-179.7	177.2	0	0	0	0	108.1	F149 T150 I176 I177 I180 A183 I186 L195 V197	F149-V163 WeakPolarHBondContact O-CA 3.42Å; T150-V163 HydrophobicContact CG2-CG2 4.23Å; V163-I176 HydrophobicContact CG1-CB 4.32Å; V163-I176 WeakPolarHBondContact O-CB 3.46Å; V163-I176 PolarHBondContact O-N 2.91Å; V163-I177 HydrophobicContact CB-CG2 3.84Å; V163-I177 HydrophobicContact CG2-CG2 4Å; V163-I177 PolarHBondContact N-O 2.8Å; V163-I177 PolarHBondContact O-N 3.48Å; V163-I180 HydrophobicContact CG2-CD1 4.14Å; V163-A183 HydrophobicContact CG2-CB 4.45Å; V163-I186 HydrophobicContact CG1-CD1 3.61Å; V163-I186 HydrophobicContact CG2-CD1 4.44Å; V163-L195 HydrophobicContact CG1-CD2 3.81Å; V163-V197 HydrophobicContact CG2-CB 4.3Å; V163-V197 HydrophobicContact CG2-CG1 3.68Å; V163-V197 HydrophobicContact CG2-CG2 3.68Å
164	Y	98.9	Very high	98.6	Very high	15 Å²	15	54.9 Å²	54.9	6%	0.059	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	149.9	-176.2	-58.9	-99	0	0	0	109.2	Y134 Y148 F149 D151 V173 T174 P175 Q178	Y134-Y164 HydrophobicContact CD1-CE2 4.11Å; Y134-Y164 HydrophobicContact CE1-CD1 4.26Å; Y134-Y164 HydrophobicContact CE1-CD2 4.18Å; Y134-Y164 AromaticContact CE1-CE1 3.82Å; Y134-Y164 HydrophobicContact CE1-CE1 3.82Å; Y134-Y164 AromaticContact CE1-CE2 3.74Å; Y134-Y164 HydrophobicContact CE1-CE2 3.74Å; Y134-Y164 HydrophobicContact CE1-CG 4.45Å; Y134-Y164 AromaticContact CE1-CZ 3.55Å; Y148-Y164 CarbonylContact C-O 3.55Å; Y148-Y164 WeakPolarHBondContact CA-O 3.09Å; F149-Y164 HydrophobicContact CD2-CD2 4.36Å; F149-Y164 VanDerWaalsContact CE1-CB 3.48Å; F149-Y164 HydrophobicContact CE1-CG 4.3Å; F149-Y164 AromaticContact CE2-CD2 3.6Å; F149-Y164 HydrophobicContact CE2-CD2 3.6Å; F149-Y164 HydrophobicContact CE2-CE2 4.47Å; F149-Y164 HydrophobicContact CE2-CG 4.04Å; F149-Y164 VanDerWaalsContact CZ-CB 3.42Å; F149-Y164 AromaticContact CZ-CD2 3.78Å; F149-Y164 HydrophobicContact CZ-CD2 3.78Å; F149-Y164 AromaticContact CZ-CG 3.73Å; F149-Y164 HydrophobicContact CZ-CG 3.73Å; F149-Y164 PolarHBondContact N-O 3.05Å; F149-Y164 PolarHBondContact O-N 2.99Å; F149-Y164 VanDerWaalsContact O-N 3.11Å; D151-Y164 HydrophobicContact CB-CD2 4.24Å; D151-Y164 HydrophobicContact CB-CE2 3.73Å; Y164-V173 HydrophobicContact CD1-CG1 4.21Å; Y164-V173 HydrophobicContact CG-CG1 4.42Å; Y164-T174 CarbonylContact C-O 3.55Å; Y164-T174 WeakPolarHBondContact CA-O 3.34Å; Y164-P175 HydrophobicContact CD1-CB 4Å; Y164-P175 HydrophobicContact CD1-CG 4.06Å; Y164-P175 HydrophobicContact CE1-CB 3.94Å; Y164-P175 HydrophobicContact CE1-CG 3.96Å; Y164-Q178 PolarHBondContact OH-NE2 2.83Å
165	Y	98.9	Very high	98.6	Very high	15 Å²	15	56.8 Å²	56.8	6%	0.059	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136.7	173.3	177.5	-104.6	0	0	0	110.4	D142 F147 Y148 V173 T174 V215	D142-Y165 WeakPolarHBondContact OD2-CE2 3.32Å; D142-Y165 VanDerWaalsContact OD2-CZ 3.32Å; D142-Y165 PolarHBondContact OD2-OH 3.09Å; F147-Y165 CarbonylContact O-C 3.42Å; F147-Y165 WeakPolarHBondContact O-CA 3.27Å; F147-Y165 WeakPolarHBondContact O-CD2 3.48Å; Y148-Y165 AromaticContact CD1-CD2 3.86Å; Y148-Y165 HydrophobicContact CD1-CD2 3.86Å; Y148-Y165 HydrophobicContact CD1-CG 4.37Å; Y148-Y165 HydrophobicContact CD2-CD2 4.01Å; Y148-Y165 HydrophobicContact CD2-CE2 4.45Å; Y148-Y165 AromaticContact CE1-CD2 3.64Å; Y148-Y165 HydrophobicContact CE1-CD2 3.64Å; Y148-Y165 HydrophobicContact CE1-CG 4.13Å; Y148-Y165 AromaticContact CE2-CD2 3.77Å; Y148-Y165 HydrophobicContact CE2-CD2 3.77Å; Y148-Y165 AromaticContact CE2-CE2 3.98Å; Y148-Y165 HydrophobicContact CE2-CE2 3.98Å; Y148-Y165 HydrophobicContact CG-CD2 4.04Å; Y148-Y165 AromaticContact CZ-CD2 3.6Å; Y165-V173 CarbonylContact O-C 3.58Å; Y165-V173 WeakPolarHBondContact O-CA 3.05Å; Y165-T174 PolarHBondContact N-O 3.06Å; Y165-T174 PolarHBondContact O-N 3.28Å; Y165-V215 HydrophobicContact CD1-CG1 3.5Å; Y165-V215 VanDerWaalsContact CD1-CG1 3.5Å; Y165-V215 HydrophobicContact CE1-CG1 4.11Å; Y165-V215 HydrophobicContact CG-CG1 3.96Å
166	V	98.9	Very high	98.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	128.7	175	-176.9	0	0	0	0	108.9	I127 G146 F147 F149 F170 T172 V173	I127-V166 HydrophobicContact CD1-CG2 4.12Å; G146-V166 CarbonylContact C-O 3.52Å; G146-V166 WeakPolarHBondContact CA-O 3.31Å; F147-V166 HydrophobicContact CD1-CB 4.07Å; F147-V166 HydrophobicContact CD1-CG1 4.43Å; F147-V166 HydrophobicContact CD2-CB 3.98Å; F147-V166 HydrophobicContact CD2-CG2 3.99Å; F147-V166 HydrophobicContact CE1-CB 3.69Å; F147-V166 HydrophobicContact CE1-CG1 3.69Å; F147-V166 HydrophobicContact CE1-CG2 4.28Å; F147-V166 HydrophobicContact CE2-CB 3.59Å; F147-V166 HydrophobicContact CE2-CG1 4.27Å; F147-V166 HydrophobicContact CE2-CG2 3.32Å; F147-V166 HydrophobicContact CG-CB 4.21Å; F147-V166 HydrophobicContact CZ-CB 3.43Å; F147-V166 VanDerWaalsContact CZ-CB 3.43Å; F147-V166 HydrophobicContact CZ-CG1 3.6Å; F147-V166 HydrophobicContact CZ-CG2 3.5Å; F147-V166 PolarHBondContact N-O 2.78Å; F147-V166 PolarHBondContact O-N 3.07Å; F149-V166 HydrophobicContact CD1-CG2 3.72Å; F149-V166 HydrophobicContact CE1-CG2 3.63Å; V166-F170 HydrophobicContact CG1-CB 4.3Å; V166-F170 HydrophobicContact CG1-CD1 4.12Å; V166-T172 VanDerWaalsContact CA-O 3.31Å; V166-T172 WeakPolarHBondContact CA-O 3.38Å; V166-V173 HydrophobicContact CG2-CG1 4.49Å; V166-V173 HydrophobicContact CG2-CG2 4.18Å
167	S	98.7	Very high	98.7	Very high	17 Å²	17	49.6 Å²	49.6	12%	0.119	27%	0.266	C	S	.	.			trans	-62.3	155.4	179.8	55.5	0	0	0	0	112.3	D169 F170 R171 T172	S167-D169 WeakPolarHBondContact CB-OD1 3.18Å; S167-D169 PolarHBondContact O-N 3.07Å; S167-D169 PolarHBondContact OG-OD1 3.26Å; S167-F170 WeakPolarHBondContact O-CA 3.17Å; S167-F170 WeakPolarHBondContact O-CD1 3.21Å; S167-F170 PolarHBondContact O-N 2.77Å; S167-R171 PolarHBondContact OG-N 3.22Å; S167-T172 PolarHBondContact N-O 2.73Å; S167-T172 WeakPolarHBondContact OG-CB 3.26Å; S167-T172 PolarHBondContact OG-N 2.99Å; S167-T172 PolarHBondContact OG-O 3.13Å
168	P	98.6	Very high	98.7	Very high	58 Å²	58	48.7 Å²	48.7	38%	0.377	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-20.6	-179.2	-26.9	33.9	0	0	0	116.2	K144 F170	K144-P168 HydrophobicContact CB-CG 3.88Å; K144-P168 WeakPolarHBondContact O-CB 3.38Å; P168-F170 VanDerWaalsContact C-N 3.35Å
169	D	98.3	Very high	98.7	Very high	90 Å²	90	52.1 Å²	52.1	48%	0.481	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	1.1	174.4	67.9	-7.9	0	0	0	113.4	S167 R171	S167-D169 WeakPolarHBondContact CB-OD1 3.18Å; S167-D169 PolarHBondContact O-N 3.07Å; S167-D169 PolarHBondContact OG-OD1 3.26Å; D169-R171 HydrophobicContact CB-CG 4.38Å; D169-R171 WeakPolarHBondContact O-CG 3.31Å; D169-R171 PolarHBondContact O-N 3.39Å; D169-R171 PolarHBondContact OD1-N 3.08Å; D169-R171 VanDerWaalsContact OD1-N 3.13Å; D169-R171 WeakPolarHBondContact OD2-CD 3.38Å
170	F	98.3	Very high	98.7	Very high	48 Å²	48	50 Å²	50	21%	0.211	26%	0.258	C	S	.	.	S	Bend	trans	61.3	19.3	-178.3	-44.7	-41.1	0	0	0	115.4	F100 I126 F147 V166 S167 P168	F100-F170 HydrophobicContact CE1-CE1 4.24Å; F100-F170 HydrophobicContact CE1-CE2 4.14Å; F100-F170 AromaticContact CE1-CZ 3.83Å; F100-F170 HydrophobicContact CE1-CZ 3.83Å; F100-F170 HydrophobicContact CZ-CE1 4.44Å; F100-F170 AromaticContact CZ-CE2 3.78Å; F100-F170 HydrophobicContact CZ-CE2 3.78Å; F100-F170 AromaticContact CZ-CZ 3.61Å; F100-F170 HydrophobicContact CZ-CZ 3.61Å; I126-F170 HydrophobicContact CD1-CD2 3.85Å; I126-F170 HydrophobicContact CD1-CE2 4.05Å; I126-F170 HydrophobicContact CG2-CG 4.37Å; F147-F170 HydrophobicContact CD1-CD1 4.26Å; F147-F170 AromaticContact CD1-CE1 3.98Å; F147-F170 HydrophobicContact CD1-CE1 3.98Å; F147-F170 AromaticContact CE1-CD1 3.62Å; F147-F170 HydrophobicContact CE1-CD1 3.62Å; F147-F170 AromaticContact CE1-CE1 3.68Å; F147-F170 HydrophobicContact CE1-CE1 3.68Å; V166-F170 HydrophobicContact CG1-CB 4.3Å; V166-F170 HydrophobicContact CG1-CD1 4.12Å; S167-F170 WeakPolarHBondContact O-CA 3.17Å; S167-F170 WeakPolarHBondContact O-CD1 3.21Å; S167-F170 PolarHBondContact O-N 2.77Å; P168-F170 VanDerWaalsContact C-N 3.35Å
171	R	98	Very high	98.7	Very high	210 Å²	210	46.2 Å²	46.2	79%	0.792	24%	0.239	S	C	*	.			trans	-96.5	-21.1	-175.2	-63.2	-175.6	-178.8	-174.5	-1.8	114.7	S167 D169	S167-R171 PolarHBondContact OG-N 3.22Å; D169-R171 HydrophobicContact CB-CG 4.38Å; D169-R171 WeakPolarHBondContact O-CG 3.31Å; D169-R171 PolarHBondContact O-N 3.39Å; D169-R171 PolarHBondContact OD1-N 3.08Å; D169-R171 VanDerWaalsContact OD1-N 3.13Å; D169-R171 WeakPolarHBondContact OD2-CD 3.38Å
172	T	98.3	Very high	98.7	Very high	74 Å²	74	46.5 Å²	46.5	45%	0.454	24%	0.24	S	C	.	.			trans	-122.4	128.5	-174.6	-50.8	0	0	0	0	109.6	V166 S167	V166-T172 VanDerWaalsContact CA-O 3.31Å; V166-T172 WeakPolarHBondContact CA-O 3.38Å; S167-T172 PolarHBondContact N-O 2.73Å; S167-T172 WeakPolarHBondContact OG-CB 3.26Å; S167-T172 PolarHBondContact OG-N 2.99Å; S167-T172 PolarHBondContact OG-O 3.13Å
173	V	98.7	Very high	98.7	Very high	55 Å²	55	46.5 Å²	46.5	33%	0.333	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.1	171.2	-173.7	0	0	0	0	108.2	I127 F149 Y164 Y165 V166	I127-V173 HydrophobicContact CD1-CG2 4.06Å; F149-V173 HydrophobicContact CE1-CG1 4.05Å; F149-V173 HydrophobicContact CZ-CG1 4.27Å; Y164-V173 HydrophobicContact CD1-CG1 4.21Å; Y164-V173 HydrophobicContact CG-CG1 4.42Å; Y165-V173 CarbonylContact O-C 3.58Å; Y165-V173 WeakPolarHBondContact O-CA 3.05Å; V166-V173 HydrophobicContact CG2-CG1 4.49Å; V166-V173 HydrophobicContact CG2-CG2 4.18Å
174	T	98.8	Very high	98.7	Very high	47 Å²	47	46.7 Å²	46.7	29%	0.288	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.3	-178.1	-55	0	0	0	0	109.5	Y164 Y165 I176 V215	Y164-T174 CarbonylContact C-O 3.55Å; Y164-T174 WeakPolarHBondContact CA-O 3.34Å; Y165-T174 PolarHBondContact N-O 3.06Å; Y165-T174 PolarHBondContact O-N 3.28Å; T174-I176 PolarHBondContact O-N 2.73Å; T174-V215 HydrophobicContact CG2-CB 4.24Å; T174-V215 HydrophobicContact CG2-CG1 4.39Å
175	P	98.8	Very high	98.7	Very high	67 Å²	67	46 Å²	46	44%	0.435	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	131.8	171	-18.3	30.7	0	0	0	110.7	Y164 Q178	Y164-P175 HydrophobicContact CD1-CB 4Å; Y164-P175 HydrophobicContact CD1-CG 4.06Å; Y164-P175 HydrophobicContact CE1-CB 3.94Å; Y164-P175 HydrophobicContact CE1-CG 3.96Å; P175-Q178 HydrophobicContact CB-CG 4.28Å
176	I	98.9	Very high	98.7	Very high	16 Å²	16	45.5 Å²	45.5	8%	0.082	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-58	175.1	-61.1	-61.3	0	0	0	109.7	Y148 V163 T174 L195 L210 V215 I217	Y148-I176 HydrophobicContact CD1-CD1 4.41Å; Y148-I176 HydrophobicContact CD1-CG1 3.92Å; Y148-I176 HydrophobicContact CE1-CD1 4.01Å; Y148-I176 HydrophobicContact CE1-CG1 4.02Å; V163-I176 HydrophobicContact CG1-CB 4.32Å; V163-I176 WeakPolarHBondContact O-CB 3.46Å; V163-I176 PolarHBondContact O-N 2.91Å; T174-I176 PolarHBondContact O-N 2.73Å; I176-L195 HydrophobicContact CG2-CD2 4.23Å; I176-L210 HydrophobicContact CG2-CD2 4.24Å; I176-V215 HydrophobicContact CD1-CB 3.93Å; I176-V215 HydrophobicContact CD1-CG1 4.03Å; I176-I217 HydrophobicContact CG2-CD1 4.5Å; I176-I217 VanDerWaalsContact O-CD1 3.28Å; I176-I217 WeakPolarHBondContact O-CD1 3.27Å
177	I	98.9	Very high	98.7	Very high	32 Å²	32	45.8 Å²	45.8	16%	0.164	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	141.5	176.6	-172.8	164.1	0	0	0	108.6	G162 V163 I180 I208 I217 A222	G162-I177 CarbonylContact C-O 3.58Å; G162-I177 VanDerWaalsContact CA-O 3.27Å; G162-I177 WeakPolarHBondContact CA-O 3.4Å; V163-I177 HydrophobicContact CB-CG2 3.84Å; V163-I177 HydrophobicContact CG2-CG2 4Å; V163-I177 PolarHBondContact N-O 2.8Å; V163-I177 PolarHBondContact O-N 3.48Å; I177-I180 HydrophobicContact CG2-CD1 3.77Å; I177-I208 HydrophobicContact CB-CD1 4.33Å; I177-I208 HydrophobicContact CD1-CD1 4.25Å; I177-I208 HydrophobicContact CG2-CD1 3.56Å; I177-I217 HydrophobicContact CB-CD1 4.26Å; I177-A222 HydrophobicContact CD1-CB 3.98Å
178	Q	98.8	Very high	98.7	Very high	101 Å²	101	45.5 Å²	45.5	47%	0.472	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	-178.5	-179.3	-61	-179.8	-66.4	0	0	109.2	Y164 P175	Y164-Q178 PolarHBondContact OH-NE2 2.83Å; P175-Q178 HydrophobicContact CB-CG 4.28Å
179	N	98.9	Very high	98.7	Very high	120 Å²	120	43 Å²	43	64%	0.642	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	62.1	47.2	-176.7	-51	-67.3	0	0	0	112.1	P159 G161	P159-N179 HydrophobicContact CB-CB 4.31Å; P159-N179 HydrophobicContact CG-CB 4.29Å; P159-N179 WeakPolarHBondContact O-CA 3.25Å; G161-N179 PolarHBondContact O-N 2.79Å
180	I	98.9	Very high	98.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.7	171.4	-60.2	-176.2	0	0	0	108.7	P159 G161 V163 I177 V182 A183 V197 E199	P159-I180 CarbonylContact C-O 3.57Å; G161-I180 CarbonylContact C-O 3.51Å; G161-I180 WeakPolarHBondContact CA-O 3.44Å; G161-I180 PolarHBondContact N-O 3.29Å; G161-I180 PolarHBondContact O-N 3.05Å; V163-I180 HydrophobicContact CG2-CD1 4.14Å; I177-I180 HydrophobicContact CG2-CD1 3.77Å; I180-V182 VanDerWaalsContact C-N 3.33Å; I180-V182 PolarHBondContact O-N 3.1Å; I180-A183 HydrophobicContact CB-CB 4.25Å; I180-A183 HydrophobicContact CG2-CB 3.74Å; I180-V197 HydrophobicContact CD1-CG1 4.29Å; I180-E199 HydrophobicContact CG2-CB 3.78Å; I180-E199 HydrophobicContact CG2-CG 3.51Å
181	S	98.9	Very high	98.8	Very high	4 Å²	4	43.6 Å²	43.6	3%	0.028	23%	0.227	C	C	.	.	S	Bend	trans	-76.6	82.3	175	-74.7	0	0	0	0	110.9	Y155 S156 P159 E199 T201	Y155-S181 VanDerWaalsContact O-CB 3.23Å; Y155-S181 WeakPolarHBondContact O-CB 3.47Å; Y155-S181 PolarHBondContact O-OG 3.23Å; S156-S181 PolarHBondContact O-OG 2.95Å; P159-S181 WeakPolarHBondContact CB-OG 3.49Å; S181-E199 WeakPolarHBondContact CA-OE1 3.46Å; S181-E199 VanDerWaalsContact CB-OE1 3.28Å; S181-E199 WeakPolarHBondContact CB-OE1 3.46Å; S181-E199 PolarHBondContact N-OE1 2.87Å; S181-E199 VanDerWaalsContact O-CG 3.26Å; S181-E199 WeakPolarHBondContact O-CG 3.44Å; S181-T201 WeakPolarHBondContact CB-OG1 3.24Å; S181-T201 PolarHBondContact O-N 3.16Å; S181-T201 PolarHBondContact O-OG1 3.08Å
182	V	98.9	Very high	98.8	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.042	20%	0.2	C	C	.	.	S	Bend	trans	69.1	83.9	-177.3	-170.6	0	0	0	0	111	F152 R153 G154 I180 E199 T200 T201	F152-V182 HydrophobicContact CD1-CG1 3.78Å; F152-V182 HydrophobicContact CD2-CG1 3.42Å; F152-V182 VanDerWaalsContact CD2-CG1 3.42Å; F152-V182 HydrophobicContact CE1-CG1 3.67Å; F152-V182 HydrophobicContact CE2-CG1 3.3Å; F152-V182 HydrophobicContact CG-CG1 3.64Å; F152-V182 HydrophobicContact CZ-CG1 3.43Å; F152-V182 VanDerWaalsContact CZ-CG1 3.43Å; R153-V182 PolarHBondContact O-N 2.95Å; G154-V182 VanDerWaalsContact O-CG2 3.27Å; G154-V182 WeakPolarHBondContact O-CG2 3.39Å; I180-V182 VanDerWaalsContact C-N 3.33Å; I180-V182 PolarHBondContact O-N 3.1Å; V182-E199 WeakPolarHBondContact O-CA 3.29Å; V182-T200 PolarHBondContact O-N 2.82Å; V182-T200 VanDerWaalsContact O-N 3.08Å; V182-T201 HydrophobicContact CB-CG2 3.92Å; V182-T201 HydrophobicContact CG2-CG2 3.55Å
183	A	98.9	Very high	98.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.6	170.3	0	0	0	0	0	108.8	T150 F152 G162 V163 I180 V197	T150-A183 WeakPolarHBondContact CB-O 3.26Å; T150-A183 HydrophobicContact CG2-CB 3.99Å; F152-A183 WeakPolarHBondContact CA-O 3.3Å; F152-A183 VanDerWaalsContact CD2-O 3.25Å; F152-A183 WeakPolarHBondContact CD2-O 3.34Å; G162-A183 WeakPolarHBondContact O-CB 3.1Å; V163-A183 HydrophobicContact CG2-CB 4.45Å; I180-A183 HydrophobicContact CB-CB 4.25Å; I180-A183 HydrophobicContact CG2-CB 3.74Å; A183-V197 HydrophobicContact CB-CG1 4.24Å
184	N	98.9	Very high	98.9	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-90.4	-174	178.6	-46.7	0	0	0	110.8	D137 T150 F152 T198 T200 D235 S236	D137-N184 VanDerWaalsContact OD1-CG 3.31Å; D137-N184 PolarHBondContact OD1-OD1 2.8Å; T150-N184 VanDerWaalsContact CB-O 3.27Å; T150-N184 WeakPolarHBondContact CB-O 3.4Å; T150-N184 WeakPolarHBondContact CG2-O 3.13Å; T150-N184 PolarHBondContact OG1-O 2.86Å; F152-N184 HydrophobicContact CD2-CB 3.98Å; F152-N184 HydrophobicContact CE2-CB 3.7Å; F152-N184 WeakPolarHBondContact CE2-ND2 3.41Å; N184-T198 PolarHBondContact N-O 2.87Å; N184-T200 WeakPolarHBondContact CB-OG1 3.18Å; N184-T200 PolarHBondContact ND2-OG1 3.26Å; N184-D235 PolarHBondContact ND2-OD1 2.72Å; N184-D235 WeakPolarHBondContact OD1-CA 3.28Å; N184-D235 PolarHBondContact OD1-OD1 3.18Å; N184-D235 VanDerWaalsContact OD1-OD1 3.08Å; N184-S236 PolarHBondContact OD1-N 2.96Å
185	G	98.8	Very high	98.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	142.6	-175	0	0	0	0	0	110.8	V197 T198 C237	G185-V197 CarbonylContact O-C 3.53Å; G185-V197 VanDerWaalsContact O-CA 3.29Å; G185-V197 WeakPolarHBondContact O-CA 3.44Å; G185-T198 WeakPolarHBondContact CA-OG1 3.4Å; G185-T198 PolarHBondContact N-OG1 2.86Å; G185-T198 PolarHBondContact O-N 3.06Å; G185-C237 VanDerWaalsContact C-SG 3.6Å
186	I	98.9	Very high	98.9	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	138.7	-179.4	-167	166	0	0	0	111.5	D138 V140 T150 V163 L195 W196 V197 C237	D138-I186 HydrophobicContact CB-CG2 4.27Å; V140-I186 HydrophobicContact CB-CG2 4.36Å; V140-I186 HydrophobicContact CG1-CD1 4.35Å; V140-I186 HydrophobicContact CG1-CG1 3.92Å; V140-I186 HydrophobicContact CG1-CG2 4.15Å; T150-I186 HydrophobicContact CG2-CB 3.72Å; T150-I186 HydrophobicContact CG2-CD1 3.93Å; T150-I186 HydrophobicContact CG2-CG1 4.35Å; T150-I186 HydrophobicContact CG2-CG2 4.09Å; V163-I186 HydrophobicContact CG1-CD1 3.61Å; V163-I186 HydrophobicContact CG2-CD1 4.44Å; I186-L195 HydrophobicContact CD1-CD1 3.99Å; I186-L195 HydrophobicContact CD1-CD2 4.34Å; I186-L195 HydrophobicContact CD1-CG 4.38Å; I186-L195 HydrophobicContact CG1-CD1 3.77Å; I186-L195 HydrophobicContact CG1-CG 4.31Å; I186-W196 WeakPolarHBondContact CA-O 3.42Å; I186-V197 HydrophobicContact CD1-CG2 4.43Å; I186-V197 HydrophobicContact CG1-CG2 4.29Å; I186-C237 PolarHBondContact N-SG 3.22Å
187	A	99	Very high	98.9	Very high	6 Å²	6	27.8 Å²	27.8	5%	0.05	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	146.1	175.6	0	0	0	0	0	111.5	W196 I239 L245	A187-W196 HydrophobicContact CB-CB 4.48Å; A187-W196 PolarHBondContact N-O 3.38Å; A187-W196 VanDerWaalsContact N-O 3.07Å; A187-W196 PolarHBondContact O-N 3.32Å; A187-I239 HydrophobicContact CB-CG2 4.04Å; A187-L245 HydrophobicContact CB-CD1 3.91Å
188	L	98.9	Very high	98.9	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.058	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	147.5	168.4	-77.8	165.8	0	0	0	110.3	V140 D142 Y148 E192 V194 L195 I239	V140-L188 HydrophobicContact CG1-CD1 4.34Å; V140-L188 HydrophobicContact CG1-CG 4.11Å; V140-L188 HydrophobicContact CG2-CB 4.46Å; V140-L188 HydrophobicContact CG2-CD1 4.37Å; V140-L188 HydrophobicContact CG2-CG 4.43Å; D142-L188 HydrophobicContact CB-CD1 4.07Å; Y148-L188 HydrophobicContact CD2-CD1 3.91Å; Y148-L188 HydrophobicContact CD2-CD2 4.21Å; Y148-L188 HydrophobicContact CD2-CG 4.2Å; Y148-L188 HydrophobicContact CE2-CD1 3.73Å; Y148-L188 HydrophobicContact CE2-CD2 3.8Å; Y148-L188 HydrophobicContact CE2-CG 4.15Å; L188-E192 HydrophobicContact CD1-CG 4.2Å; L188-E192 HydrophobicContact CD2-CB 4.4Å; L188-V194 CarbonylContact C-O 3.52Å; L188-V194 WeakPolarHBondContact CA-O 3.39Å; L188-L195 HydrophobicContact CD2-CB 4.4Å; L188-L195 HydrophobicContact CD2-CD1 3.7Å; L188-L195 HydrophobicContact CG-CD1 4Å; L188-I239 WeakPolarHBondContact O-CD1 3.14Å
189	S	98.9	Very high	98.9	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.042	11%	0.114	C	C	.	.			trans	-63.6	162.4	162.7	54	0	0	0	0	111.4	D191 E192 K193 V194 D243	S189-D191 WeakPolarHBondContact CB-OD1 3.48Å; S189-D191 PolarHBondContact O-N 2.89Å; S189-D191 VanDerWaalsContact O-N 3.14Å; S189-D191 PolarHBondContact OG-OD1 2.81Å; S189-E192 WeakPolarHBondContact O-CA 3.34Å; S189-E192 PolarHBondContact O-N 3Å; S189-K193 PolarHBondContact OG-N 2.88Å; S189-V194 PolarHBondContact N-O 2.97Å; S189-V194 PolarHBondContact OG-N 2.78Å; S189-V194 PolarHBondContact OG-O 3.01Å; S189-D243 WeakPolarHBondContact CA-OD1 3.46Å; S189-D243 WeakPolarHBondContact CB-OD1 3.36Å
190	T	98.8	Very high	98.9	Very high	55 Å²	55	16.2 Å²	16.2	34%	0.337	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.7	-179.3	64.6	0	0	0	0	113.8	I239 D243	T190-I239 HydrophobicContact CG2-CD1 3.83Å; T190-D243 PolarHBondContact N-OD1 3.03Å; T190-D243 PolarHBondContact OG1-OD2 2.86Å
191	D	98.7	Very high	98.9	Very high	95 Å²	95	18.8 Å²	18.8	51%	0.508	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3	175.2	70.2	-7.1	0	0	0	113.8	S189 K193	S189-D191 WeakPolarHBondContact CB-OD1 3.48Å; S189-D191 PolarHBondContact O-N 2.89Å; S189-D191 VanDerWaalsContact O-N 3.14Å; S189-D191 PolarHBondContact OG-OD1 2.81Å; D191-K193 HydrophobicContact CB-CG 4.46Å; D191-K193 WeakPolarHBondContact O-CG 3.24Å; D191-K193 PolarHBondContact O-N 2.66Å; D191-K193 PolarHBondContact OD1-N 2.85Å; D191-K193 VanDerWaalsContact OD1-N 3.1Å
192	E	98.8	Very high	98.9	Very high	45 Å²	45	20.1 Å²	20.1	21%	0.21	11%	0.114	C	C	.	.	S	Bend	trans	59	12.3	-179.1	-55.6	177.5	-169.8	0	0	115	S143 L188 S189	S143-E192 WeakPolarHBondContact CA-OE1 3.43Å; S143-E192 WeakPolarHBondContact CB-OE1 3.14Å; S143-E192 PolarHBondContact N-OE1 2.88Å; S143-E192 PolarHBondContact N-OE2 3.22Å; S143-E192 PolarHBondContact OG-OE1 2.86Å; S143-E192 PolarHBondContact OG-OE2 2.86Å; L188-E192 HydrophobicContact CD1-CG 4.2Å; L188-E192 HydrophobicContact CD2-CB 4.4Å; S189-E192 WeakPolarHBondContact O-CA 3.34Å; S189-E192 PolarHBondContact O-N 3Å
193	K	98.9	Very high	98.9	Very high	75 Å²	75	21.2 Å²	21.2	33%	0.326	12%	0.119	S	C	.	.	S	Bend	trans	-88.2	-9.7	179.2	-60.4	-162.1	72.1	116.2	0	114	S189 D191 A209 L210 D212	S189-K193 PolarHBondContact OG-N 2.88Å; D191-K193 HydrophobicContact CB-CG 4.46Å; D191-K193 WeakPolarHBondContact O-CG 3.24Å; D191-K193 PolarHBondContact O-N 2.66Å; D191-K193 PolarHBondContact OD1-N 2.85Å; D191-K193 VanDerWaalsContact OD1-N 3.1Å; K193-A209 WeakPolarHBondContact O-CA 3.44Å; K193-L210 PolarHBondContact O-N 2.81Å; K193-D212 IonicContact NZ-OD1 2.57Å; K193-D212 PolarHBondContact NZ-OD1 2.83Å
194	V	98.9	Very high	98.9	Very high	15 Å²	15	24.3 Å²	24.3	9%	0.091	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	126.7	176.2	-177.8	0	0	0	0	109.3	L188 S189 W196 R207 I208	L188-V194 CarbonylContact C-O 3.52Å; L188-V194 WeakPolarHBondContact CA-O 3.39Å; S189-V194 PolarHBondContact N-O 2.97Å; S189-V194 PolarHBondContact OG-N 2.78Å; S189-V194 PolarHBondContact OG-O 3.01Å; V194-W196 HydrophobicContact CG1-CD2 4.22Å; V194-W196 HydrophobicContact CG1-CZ2 4.05Å; V194-R207 HydrophobicContact CG1-CG 3.66Å; V194-I208 WeakPolarHBondContact CA-O 3.36Å
195	L	99	Very high	98.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.8	167.9	-170.6	68.3	0	0	0	109.2	V140 Y148 V163 I176 I186 L188 V197 I208 L210	V140-L195 HydrophobicContact CG1-CD1 4.26Å; Y148-L195 HydrophobicContact CD1-CD1 4.25Å; Y148-L195 HydrophobicContact CD1-CD2 3.61Å; Y148-L195 HydrophobicContact CD2-CD1 4.09Å; Y148-L195 HydrophobicContact CE1-CD2 4.07Å; Y148-L195 HydrophobicContact CG-CD1 3.9Å; Y148-L195 HydrophobicContact CG-CD2 4.05Å; V163-L195 HydrophobicContact CG1-CD2 3.81Å; I176-L195 HydrophobicContact CG2-CD2 4.23Å; I186-L195 HydrophobicContact CD1-CD1 3.99Å; I186-L195 HydrophobicContact CD1-CD2 4.34Å; I186-L195 HydrophobicContact CD1-CG 4.38Å; I186-L195 HydrophobicContact CG1-CD1 3.77Å; I186-L195 HydrophobicContact CG1-CG 4.31Å; L188-L195 HydrophobicContact CD2-CB 4.4Å; L188-L195 HydrophobicContact CD2-CD1 3.7Å; L188-L195 HydrophobicContact CG-CD1 4Å; L195-V197 HydrophobicContact CD2-CG2 4.43Å; L195-V197 HydrophobicContact CG-CG2 4.19Å; L195-I208 HydrophobicContact CB-CB 4.27Å; L195-I208 HydrophobicContact CD2-CD1 4.47Å; L195-I208 PolarHBondContact N-O 2.86Å; L195-I208 PolarHBondContact O-N 2.9Å; L195-L210 HydrophobicContact CB-CD1 3.98Å
196	W	99	Very high	98.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	136.8	173	-61.8	101.5	0	0	0	109.4	I186 A187 V194 L205 R207 P225 L245 K260	I186-W196 WeakPolarHBondContact CA-O 3.42Å; A187-W196 HydrophobicContact CB-CB 4.48Å; A187-W196 PolarHBondContact N-O 3.38Å; A187-W196 VanDerWaalsContact N-O 3.07Å; A187-W196 PolarHBondContact O-N 3.32Å; V194-W196 HydrophobicContact CG1-CD2 4.22Å; V194-W196 HydrophobicContact CG1-CZ2 4.05Å; W196-L205 HydrophobicContact CE3-CD1 4.2Å; W196-L205 HydrophobicContact CE3-CD2 4.26Å; W196-L205 HydrophobicContact CE3-CG 4.26Å; W196-L205 HydrophobicContact CZ3-CD2 4.1Å; W196-L205 HydrophobicContact CZ3-CG 4.42Å; W196-R207 HydrophobicContact CD2-CG 4.49Å; W196-R207 HydrophobicContact CE3-CB 3.86Å; W196-R207 HydrophobicContact CE3-CG 3.97Å; W196-R207 HydrophobicContact CH2-CB 4.13Å; W196-R207 HydrophobicContact CH2-CG 3.6Å; W196-R207 HydrophobicContact CZ2-CG 4.13Å; W196-R207 HydrophobicContact CZ3-CB 3.52Å; W196-R207 HydrophobicContact CZ3-CG 3.52Å; W196-P225 HydrophobicContact CZ3-CG 4.19Å; W196-L245 HydrophobicContact CB-CD1 3.97Å; W196-L245 HydrophobicContact CB-CD2 3.91Å; W196-L245 HydrophobicContact CD2-CD2 3.92Å; W196-L245 HydrophobicContact CE3-CD2 3.94Å; W196-L245 HydrophobicContact CG-CD1 4.01Å; W196-L245 HydrophobicContact CG-CD2 3.92Å; W196-L245 HydrophobicContact CG-CG 4.47Å; W196-K260 WeakPolarHBondContact CZ2-O 3.23Å
197	V	99	Very high	98.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.5	178.6	-173.8	0	0	0	0	109.2	T150 V163 I180 A183 G185 I186 L195 H206 I208	T150-V197 HydrophobicContact CG2-CG1 4.24Å; V163-V197 HydrophobicContact CG2-CB 4.3Å; V163-V197 HydrophobicContact CG2-CG1 3.68Å; V163-V197 HydrophobicContact CG2-CG2 3.68Å; I180-V197 HydrophobicContact CD1-CG1 4.29Å; A183-V197 HydrophobicContact CB-CG1 4.24Å; G185-V197 CarbonylContact O-C 3.53Å; G185-V197 VanDerWaalsContact O-CA 3.29Å; G185-V197 WeakPolarHBondContact O-CA 3.44Å; I186-V197 HydrophobicContact CD1-CG2 4.43Å; I186-V197 HydrophobicContact CG1-CG2 4.29Å; L195-V197 HydrophobicContact CD2-CG2 4.43Å; L195-V197 HydrophobicContact CG-CG2 4.19Å; V197-H206 HydrophobicContact CB-CB 4.07Å; V197-H206 PolarHBondContact N-O 2.94Å; V197-H206 VanDerWaalsContact N-O 3.14Å; V197-H206 PolarHBondContact O-N 2.74Å; V197-I208 HydrophobicContact CG2-CD1 3.95Å
198	T	99	Very high	98.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	139.8	171.9	68.1	0	0	0	0	110.9	N184 G185 L205 P234 D235 V247	N184-T198 PolarHBondContact N-O 2.87Å; G185-T198 WeakPolarHBondContact CA-OG1 3.4Å; G185-T198 PolarHBondContact N-OG1 2.86Å; G185-T198 PolarHBondContact O-N 3.06Å; T198-L205 HydrophobicContact CG2-CD1 4.31Å; T198-P234 HydrophobicContact CG2-CB 4Å; T198-D235 WeakPolarHBondContact CG2-O 3.44Å; T198-D235 PolarHBondContact OG1-O 3.11Å; T198-V247 HydrophobicContact CG2-CG1 3.74Å; T198-V247 HydrophobicContact CG2-CG2 4.24Å
199	E	98.9	Very high	98.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	100.1	177.3	-179.5	179.3	-166.2	0	0	109.4	I180 S181 V182 A202 N203 R204 H206	I180-E199 HydrophobicContact CG2-CB 3.78Å; I180-E199 HydrophobicContact CG2-CG 3.51Å; S181-E199 WeakPolarHBondContact CA-OE1 3.46Å; S181-E199 VanDerWaalsContact CB-OE1 3.28Å; S181-E199 WeakPolarHBondContact CB-OE1 3.46Å; S181-E199 PolarHBondContact N-OE1 2.87Å; S181-E199 VanDerWaalsContact O-CG 3.26Å; S181-E199 WeakPolarHBondContact O-CG 3.44Å; V182-E199 WeakPolarHBondContact O-CA 3.29Å; E199-A202 VanDerWaalsContact CD-CB 3.45Å; E199-A202 HydrophobicContact CG-CB 3.76Å; E199-A202 WeakPolarHBondContact OE1-CB 3.25Å; E199-N203 PolarHBondContact O-N 3.33Å; E199-N203 VanDerWaalsContact O-N 3.07Å; E199-R204 HydrophobicContact CB-CB 4.33Å; E199-R204 PolarHBondContact N-O 2.76Å; E199-R204 PolarHBondContact O-N 3.05Å; E199-R204 IonicContact OE1-CZ 3.3Å; E199-R204 IonicContact OE1-NE 3.68Å; E199-R204 IonicContact OE1-NH2 2.81Å; E199-R204 PolarHBondContact OE1-NH2 2.82Å; E199-R204 IonicContact OE2-CZ 3.18Å; E199-R204 IonicContact OE2-NE 3.06Å; E199-R204 PolarHBondContact OE2-NE 2.78Å; E199-R204 IonicContact OE2-NH2 3.03Å; E199-R204 PolarHBondContact OE2-NH2 3.41Å; E199-H206 IonicContact OE2-CD2 3.02Å; E199-H206 IonicContact OE2-CE1 2.77Å; E199-H206 IonicContact OE2-NE2 2.76Å; E199-H206 PolarHBondContact OE2-NE2 2.65Å
200	T	98.9	Very high	98.9	Very high	10 Å²	10	27 Å²	27	6%	0.061	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-62	-55.7	-166.6	-53.1	0	0	0	0	111.4	V182 N184 A202 N203 P234	V182-T200 PolarHBondContact O-N 2.82Å; V182-T200 VanDerWaalsContact O-N 3.08Å; N184-T200 WeakPolarHBondContact CB-OG1 3.18Å; N184-T200 PolarHBondContact ND2-OG1 3.26Å; T200-A202 VanDerWaalsContact C-N 3.27Å; T200-A202 PolarHBondContact O-N 2.89Å; T200-N203 PolarHBondContact O-N 3.02Å; T200-P234 WeakPolarHBondContact CA-O 3.5Å; T200-P234 WeakPolarHBondContact CB-O 3.31Å; T200-P234 PolarHBondContact OG1-O 2.85Å
201	T	98.8	Very high	98.9	Very high	55 Å²	55	28 Å²	28	34%	0.337	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-81.3	-5.4	-168.7	68.3	0	0	0	0	114.5	Y155 S156 S181 V182	Y155-T201 VanDerWaalsContact C-OG1 3.24Å; S156-T201 PolarHBondContact N-OG1 3.26Å; S181-T201 WeakPolarHBondContact CB-OG1 3.24Å; S181-T201 PolarHBondContact O-N 3.16Å; S181-T201 PolarHBondContact O-OG1 3.08Å; V182-T201 HydrophobicContact CB-CG2 3.92Å; V182-T201 HydrophobicContact CG2-CG2 3.55Å
202	A	98.8	Very high	98.9	Very high	33 Å²	33	30 Å²	30	27%	0.273	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-109.4	-2.4	171	0	0	0	0	0	113.4	E199 T200 R204	E199-A202 VanDerWaalsContact CD-CB 3.45Å; E199-A202 HydrophobicContact CG-CB 3.76Å; E199-A202 WeakPolarHBondContact OE1-CB 3.25Å; T200-A202 VanDerWaalsContact C-N 3.27Å; T200-A202 PolarHBondContact O-N 2.89Å; A202-R204 HydrophobicContact CB-CG 4.2Å; A202-R204 WeakPolarHBondContact O-CG 3.49Å; A202-R204 PolarHBondContact O-N 3.13Å
203	N	98.8	Very high	98.9	Very high	30 Å²	30	31.4 Å²	31.4	16%	0.16	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	49.4	-177.3	-95	-62.9	0	0	0	112.5	E199 T200 Y227 F228 G230 E232 G233 P234	E199-N203 PolarHBondContact O-N 3.33Å; E199-N203 VanDerWaalsContact O-N 3.07Å; T200-N203 PolarHBondContact O-N 3.02Å; N203-Y227 CarbonylContact O-C 3.6Å; N203-Y227 WeakPolarHBondContact O-CA 3.43Å; N203-F228 HydrophobicContact CB-CB 3.9Å; N203-F228 PolarHBondContact O-N 2.76Å; N203-F228 WeakPolarHBondContact OD1-CB 3.42Å; N203-G230 PolarHBondContact ND2-O 2.76Å; N203-G230 VanDerWaalsContact ND2-O 3.17Å; N203-E232 PolarHBondContact ND2-O 2.88Å; N203-E232 VanDerWaalsContact ND2-O 3.13Å; N203-G233 VanDerWaalsContact OD1-CA 3.32Å; N203-G233 WeakPolarHBondContact OD1-CA 3.46Å; N203-P234 WeakPolarHBondContact OD1-CD 3.26Å
204	R	98.9	Very high	98.9	Very high	65 Å²	65	28.1 Å²	28.1	25%	0.245	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.3	179.9	-59.7	-171.1	-64.2	-179.7	-0.1	112.4	E199 A202 I224 Y227	E199-R204 HydrophobicContact CB-CB 4.33Å; E199-R204 PolarHBondContact N-O 2.76Å; E199-R204 PolarHBondContact O-N 3.05Å; E199-R204 IonicContact OE1-CZ 3.3Å; E199-R204 IonicContact OE1-NE 3.68Å; E199-R204 IonicContact OE1-NH2 2.81Å; E199-R204 PolarHBondContact OE1-NH2 2.82Å; E199-R204 IonicContact OE2-CZ 3.18Å; E199-R204 IonicContact OE2-NE 3.06Å; E199-R204 PolarHBondContact OE2-NE 2.78Å; E199-R204 IonicContact OE2-NH2 3.03Å; E199-R204 PolarHBondContact OE2-NH2 3.41Å; A202-R204 HydrophobicContact CB-CG 4.2Å; A202-R204 WeakPolarHBondContact O-CG 3.49Å; A202-R204 PolarHBondContact O-N 3.13Å; R204-I224 HydrophobicContact CB-CD1 4.45Å; R204-I224 HydrophobicContact CB-CG2 4.11Å; R204-I224 HydrophobicContact CG-CG2 4.32Å; R204-Y227 HydrophobicContact CG-CD1 3.93Å; R204-Y227 HydrophobicContact CG-CE1 3.87Å
205	L	99	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.3	165.5	-177.6	58.2	0	0	0	108.3	W196 T198 I224 P225 Y226 F228 L245 F258	W196-L205 HydrophobicContact CE3-CD1 4.2Å; W196-L205 HydrophobicContact CE3-CD2 4.26Å; W196-L205 HydrophobicContact CE3-CG 4.26Å; W196-L205 HydrophobicContact CZ3-CD2 4.1Å; W196-L205 HydrophobicContact CZ3-CG 4.42Å; T198-L205 HydrophobicContact CG2-CD1 4.31Å; L205-I224 WeakPolarHBondContact O-CA 3.42Å; L205-P225 HydrophobicContact CD2-CG 4.25Å; L205-P225 HydrophobicContact CG-CG 4.29Å; L205-P225 VanDerWaalsContact O-CD 3.3Å; L205-P225 WeakPolarHBondContact O-CD 3.39Å; L205-Y226 PolarHBondContact N-O 2.71Å; L205-F228 HydrophobicContact CB-CD2 4.46Å; L205-F228 HydrophobicContact CB-CE2 3.55Å; L205-F228 HydrophobicContact CB-CZ 3.96Å; L205-F228 HydrophobicContact CD1-CZ 4.42Å; L205-L245 HydrophobicContact CD1-CD2 3.72Å; L205-L245 HydrophobicContact CD2-CD2 4.3Å; L205-F258 HydrophobicContact CD2-CD1 4.14Å; L205-F258 HydrophobicContact CD2-CD2 4.27Å; L205-F258 HydrophobicContact CD2-CE1 4.27Å; L205-F258 HydrophobicContact CD2-CE2 4.39Å; L205-F258 HydrophobicContact CD2-CG 4.15Å; L205-F258 HydrophobicContact CD2-CZ 4.4Å
206	H	99	Very high	98.8	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.056	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	140.2	171.4	-64	-109.8	0	0	0	109.9	V197 E199 I208 T223 I224	V197-H206 HydrophobicContact CB-CB 4.07Å; V197-H206 PolarHBondContact N-O 2.94Å; V197-H206 VanDerWaalsContact N-O 3.14Å; V197-H206 PolarHBondContact O-N 2.74Å; E199-H206 IonicContact OE2-CD2 3.02Å; E199-H206 IonicContact OE2-CE1 2.77Å; E199-H206 IonicContact OE2-NE2 2.76Å; E199-H206 PolarHBondContact OE2-NE2 2.65Å; H206-I208 HydrophobicContact CB-CG1 4.48Å; H206-T223 WeakPolarHBondContact CA-O 3.4Å; H206-I224 HydrophobicContact CB-CD1 4.43Å; H206-I224 VanDerWaalsContact CE1-CD1 3.42Å; H206-I224 WeakPolarHBondContact CE1-CD1 3.35Å; H206-I224 VanDerWaalsContact ND1-CD1 3.32Å; H206-I224 WeakPolarHBondContact ND1-CD1 2.99Å
207	R	98.9	Very high	98.8	Very high	64 Å²	64	34.9 Å²	34.9	24%	0.242	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	115.6	171.2	-176.5	-174	-177.2	-79.6	-4.9	108.6	V194 W196 T223 P225	V194-R207 HydrophobicContact CG1-CG 3.66Å; W196-R207 HydrophobicContact CD2-CG 4.49Å; W196-R207 HydrophobicContact CE3-CB 3.86Å; W196-R207 HydrophobicContact CE3-CG 3.97Å; W196-R207 HydrophobicContact CH2-CB 4.13Å; W196-R207 HydrophobicContact CH2-CG 3.6Å; W196-R207 HydrophobicContact CZ2-CG 4.13Å; W196-R207 HydrophobicContact CZ3-CB 3.52Å; W196-R207 HydrophobicContact CZ3-CG 3.52Å; R207-T223 PolarHBondContact N-O 3.35Å; R207-T223 PolarHBondContact O-N 3.17Å; R207-T223 PolarHBondContact O-OG1 3.14Å; R207-T223 VanDerWaalsContact O-OG1 3.08Å; R207-P225 HydrophobicContact CB-CG 3.75Å
208	I	99	Very high	98.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	109.8	-169.9	-52.7	165.4	0	0	0	108.5	I177 V194 L195 V197 H206 L210 I217 G221 A222	I177-I208 HydrophobicContact CB-CD1 4.33Å; I177-I208 HydrophobicContact CD1-CD1 4.25Å; I177-I208 HydrophobicContact CG2-CD1 3.56Å; V194-I208 WeakPolarHBondContact CA-O 3.36Å; L195-I208 HydrophobicContact CB-CB 4.27Å; L195-I208 HydrophobicContact CD2-CD1 4.47Å; L195-I208 PolarHBondContact N-O 2.86Å; L195-I208 PolarHBondContact O-N 2.9Å; V197-I208 HydrophobicContact CG2-CD1 3.95Å; H206-I208 HydrophobicContact CB-CG1 4.48Å; I208-L210 HydrophobicContact CG2-CD2 4.01Å; I208-I217 HydrophobicContact CG2-CD1 3.89Å; I208-I217 HydrophobicContact CG2-CG1 3.74Å; I208-I217 HydrophobicContact CG2-CG2 4.22Å; I208-G221 WeakPolarHBondContact CA-O 3.32Å; I208-A222 HydrophobicContact CG1-CB 4.34Å; I208-A222 HydrophobicContact CG2-CB 4.39Å
209	A	98.9	Very high	98.8	Very high	12 Å²	12	42.9 Å²	42.9	10%	0.099	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.9	172.1	0	0	0	0	0	109.9	K193 Q218 G221	K193-A209 WeakPolarHBondContact O-CA 3.44Å; A209-Q218 HydrophobicContact CB-CB 4.28Å; A209-Q218 HydrophobicContact CB-CG 4.26Å; A209-Q218 PolarHBondContact O-N 2.85Å; A209-G221 PolarHBondContact N-O 3.13Å
210	L	98.9	Very high	98.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146	-177.5	-62.6	170.9	0	0	0	110.9	Y148 I176 K193 L195 I208 T216 I217 Q218	Y148-L210 HydrophobicContact CE1-CD1 4.12Å; I176-L210 HydrophobicContact CG2-CD2 4.24Å; K193-L210 PolarHBondContact O-N 2.81Å; L195-L210 HydrophobicContact CB-CD1 3.98Å; I208-L210 HydrophobicContact CG2-CD2 4.01Å; L210-T216 WeakPolarHBondContact CA-O 3.41Å; L210-I217 HydrophobicContact CD2-CG1 4.31Å; L210-Q218 PolarHBondContact O-NE2 3.33Å
211	E	98.8	Very high	98.8	Very high	76 Å²	76	52.5 Å²	52.5	36%	0.355	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-68.6	171.2	165.4	-62.7	-67	174.9	0	0	110.5	D213 G214 T216 Q218	E211-D213 PolarHBondContact O-N 3.02Å; E211-D213 VanDerWaalsContact O-N 3.08Å; E211-G214 PolarHBondContact O-N 3.39Å; E211-T216 HydrophobicContact CB-CG2 4.44Å; E211-T216 HydrophobicContact CG-CG2 3.76Å; E211-T216 PolarHBondContact N-O 3.14Å; E211-Q218 HydrophobicContact CG-CG 4.06Å
212	D	98.5	Very high	98.8	Very high	137 Å²	137	52 Å²	52	73%	0.733	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-15.9	-177.3	-70.6	-16	0	0	0	114.2	K193 G214	K193-D212 IonicContact NZ-OD1 2.57Å; K193-D212 PolarHBondContact NZ-OD1 2.83Å; D212-G214 VanDerWaalsContact C-N 3.27Å
213	D	98.4	Very high	98.8	Very high	74 Å²	74	53.2 Å²	53.2	40%	0.396	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-15.5	174.7	68.9	3.4	0	0	0	113.3	E211 V215 T216	E211-D213 PolarHBondContact O-N 3.02Å; E211-D213 VanDerWaalsContact O-N 3.08Å; D213-V215 HydrophobicContact CB-CG2 4.32Å; D213-V215 PolarHBondContact O-N 3.18Å; D213-V215 PolarHBondContact OD1-N 3.46Å; D213-T216 WeakPolarHBondContact OD1-CB 3.42Å; D213-T216 PolarHBondContact OD1-N 3.4Å; D213-T216 WeakPolarHBondContact OD2-CB 3.41Å; D213-T216 PolarHBondContact OD2-OG1 2.88Å
214	G	98.7	Very high	98.8	Very high	6 Å²	6	54.1 Å²	54.1	6%	0.062	29%	0.288	C	S	.	.	S	Bend	trans	76	-5.9	-176.6	0	0	0	0	0	114.9	Y148 E211 D212	Y148-G214 WeakPolarHBondContact CE1-O 3.17Å; Y148-G214 WeakPolarHBondContact OH-CA 3.44Å; Y148-G214 PolarHBondContact OH-O 3.05Å; E211-G214 PolarHBondContact O-N 3.39Å; D212-G214 VanDerWaalsContact C-N 3.27Å
215	V	98.7	Very high	98.8	Very high	40 Å²	40	53.3 Å²	53.3	24%	0.242	29%	0.291	C	S	.	.	S	Bend	trans	-116.7	-23	-176	-62.2	0	0	0	0	113.5	Y165 T174 I176 D213	Y165-V215 HydrophobicContact CD1-CG1 3.5Å; Y165-V215 VanDerWaalsContact CD1-CG1 3.5Å; Y165-V215 HydrophobicContact CE1-CG1 4.11Å; Y165-V215 HydrophobicContact CG-CG1 3.96Å; T174-V215 HydrophobicContact CG2-CB 4.24Å; T174-V215 HydrophobicContact CG2-CG1 4.39Å; I176-V215 HydrophobicContact CD1-CB 3.93Å; I176-V215 HydrophobicContact CD1-CG1 4.03Å; D213-V215 HydrophobicContact CB-CG2 4.32Å; D213-V215 PolarHBondContact O-N 3.18Å; D213-V215 PolarHBondContact OD1-N 3.46Å
216	T	98.8	Very high	98.8	Very high	67 Å²	67	54.9 Å²	54.9	41%	0.411	30%	0.297	S	S	.	.	S	Bend	trans	-89.4	126.2	177.8	-60.3	0	0	0	0	110	L210 E211 D213	L210-T216 WeakPolarHBondContact CA-O 3.41Å; E211-T216 HydrophobicContact CB-CG2 4.44Å; E211-T216 HydrophobicContact CG-CG2 3.76Å; E211-T216 PolarHBondContact N-O 3.14Å; D213-T216 WeakPolarHBondContact OD1-CB 3.42Å; D213-T216 PolarHBondContact OD1-N 3.4Å; D213-T216 WeakPolarHBondContact OD2-CB 3.41Å; D213-T216 PolarHBondContact OD2-OG1 2.88Å
217	I	98.9	Very high	98.7	Very high	52 Å²	52	61.5 Å²	61.5	27%	0.267	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.6	171.9	-62.2	176.5	0	0	0	108.8	I176 I177 I208 L210 A222	I176-I217 HydrophobicContact CG2-CD1 4.5Å; I176-I217 VanDerWaalsContact O-CD1 3.28Å; I176-I217 WeakPolarHBondContact O-CD1 3.27Å; I177-I217 HydrophobicContact CB-CD1 4.26Å; I208-I217 HydrophobicContact CG2-CD1 3.89Å; I208-I217 HydrophobicContact CG2-CG1 3.74Å; I208-I217 HydrophobicContact CG2-CG2 4.22Å; L210-I217 HydrophobicContact CD2-CG1 4.31Å; I217-A222 HydrophobicContact CD1-CB 4.34Å; I217-A222 HydrophobicContact CG2-CB 4.07Å
218	Q	98.8	Very high	98.7	Very high	62 Å²	62	59 Å²	59	29%	0.29	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	156.9	175.5	-65.6	-176	15.1	0	0	111.1	A209 L210 E211 F220 G221	A209-Q218 HydrophobicContact CB-CB 4.28Å; A209-Q218 HydrophobicContact CB-CG 4.26Å; A209-Q218 PolarHBondContact O-N 2.85Å; L210-Q218 PolarHBondContact O-NE2 3.33Å; E211-Q218 HydrophobicContact CG-CG 4.06Å; Q218-F220 PolarHBondContact O-N 3.15Å; Q218-G221 WeakPolarHBondContact O-CA 3.36Å; Q218-G221 PolarHBondContact O-N 2.9Å
219	P	98.7	Very high	98.7	Very high	105 Å²	105	62.1 Å²	62.1	68%	0.682	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.6	117.6	176.7	-28.4	35.8	0	0	0	112.8	G221	P219-G221 PolarHBondContact O-N 3.39Å
220	F	98.4	Very high	98.5	Very high	202 Å²	202	63.3 Å²	63.3	89%	0.886	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	58	23.1	-175	-40.9	-76.4	0	0	0	114.3	Q218 A222	Q218-F220 PolarHBondContact O-N 3.15Å; F220-A222 PolarHBondContact O-N 3.16Å
221	G	98.5	Very high	98.5	Very high	10 Å²	10	70 Å²	70	10%	0.103	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-15.3	-171	0	0	0	0	0	115.1	I208 A209 Q218 P219	I208-G221 WeakPolarHBondContact CA-O 3.32Å; A209-G221 PolarHBondContact N-O 3.13Å; Q218-G221 WeakPolarHBondContact O-CA 3.36Å; Q218-G221 PolarHBondContact O-N 2.9Å; P219-G221 PolarHBondContact O-N 3.39Å
222	A	98.9	Very high	98.4	Very high	44 Å²	44	69.9 Å²	69.9	36%	0.364	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.3	173.6	0	0	0	0	0	110.5	I177 I208 I217 F220	I177-A222 HydrophobicContact CD1-CB 3.98Å; I208-A222 HydrophobicContact CG1-CB 4.34Å; I208-A222 HydrophobicContact CG2-CB 4.39Å; I217-A222 HydrophobicContact CD1-CB 4.34Å; I217-A222 HydrophobicContact CG2-CB 4.07Å; F220-A222 PolarHBondContact O-N 3.16Å
223	T	98.9	Very high	98.5	Very high	59 Å²	59	63.4 Å²	63.4	36%	0.362	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.9	-172	61.6	0	0	0	0	111.8	H206 R207 P225	H206-T223 WeakPolarHBondContact CA-O 3.4Å; R207-T223 PolarHBondContact N-O 3.35Å; R207-T223 PolarHBondContact O-N 3.17Å; R207-T223 PolarHBondContact O-OG1 3.14Å; R207-T223 VanDerWaalsContact O-OG1 3.08Å; T223-P225 VanDerWaalsContact O-CD 3.29Å; T223-P225 WeakPolarHBondContact O-CD 3.35Å
224	I	98.9	Very high	98.5	Very high	50 Å²	50	59.9 Å²	59.9	26%	0.256	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	86.3	172	-52.3	-59.7	0	0	0	108.6	R204 L205 H206 Y226 Y227	R204-I224 HydrophobicContact CB-CD1 4.45Å; R204-I224 HydrophobicContact CB-CG2 4.11Å; R204-I224 HydrophobicContact CG-CG2 4.32Å; L205-I224 WeakPolarHBondContact O-CA 3.42Å; H206-I224 HydrophobicContact CB-CD1 4.43Å; H206-I224 VanDerWaalsContact CE1-CD1 3.42Å; H206-I224 WeakPolarHBondContact CE1-CD1 3.35Å; H206-I224 VanDerWaalsContact ND1-CD1 3.32Å; H206-I224 WeakPolarHBondContact ND1-CD1 2.99Å; I224-Y226 VanDerWaalsContact C-N 3.26Å; I224-Y226 WeakPolarHBondContact CG2-O 3.43Å; I224-Y226 PolarHBondContact O-N 2.89Å; I224-Y227 HydrophobicContact CB-CE2 4.23Å; I224-Y227 HydrophobicContact CG2-CD2 3.92Å; I224-Y227 HydrophobicContact CG2-CE1 4.38Å; I224-Y227 HydrophobicContact CG2-CE2 3.48Å; I224-Y227 VanDerWaalsContact CG2-CE2 3.48Å
225	P	98.8	Very high	98.5	Very high	47 Å²	47	60 Å²	60	31%	0.305	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	-20.2	-179.8	28.6	-38.2	0	0	0	113.6	W196 L205 R207 T223	W196-P225 HydrophobicContact CZ3-CG 4.19Å; L205-P225 HydrophobicContact CD2-CG 4.25Å; L205-P225 HydrophobicContact CG-CG 4.29Å; L205-P225 VanDerWaalsContact O-CD 3.3Å; L205-P225 WeakPolarHBondContact O-CD 3.39Å; R207-P225 HydrophobicContact CB-CG 3.75Å; T223-P225 VanDerWaalsContact O-CD 3.29Å; T223-P225 WeakPolarHBondContact O-CD 3.35Å
226	Y	98.8	Very high	98.5	Very high	34 Å²	34	58.1 Å²	58.1	13%	0.133	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	140.2	-177.1	-160.9	-104.5	0	0	0	112.5	E25 L205 I224 F228 F258 P264	E25-Y226 VanDerWaalsContact CG-OH 3.27Å; E25-Y226 WeakPolarHBondContact CG-OH 3.49Å; E25-Y226 PolarHBondContact OE1-OH 2.87Å; L205-Y226 PolarHBondContact N-O 2.71Å; I224-Y226 VanDerWaalsContact C-N 3.26Å; I224-Y226 WeakPolarHBondContact CG2-O 3.43Å; I224-Y226 PolarHBondContact O-N 2.89Å; Y226-F228 AromaticContact CD1-CD1 3.76Å; Y226-F228 HydrophobicContact CD1-CD1 3.76Å; Y226-F228 HydrophobicContact CD1-CD2 4.33Å; Y226-F228 AromaticContact CD1-CE1 3.97Å; Y226-F228 HydrophobicContact CD1-CE1 3.97Å; Y226-F228 AromaticContact CD1-CG 3.96Å; Y226-F228 HydrophobicContact CD1-CG 3.96Å; Y226-F228 HydrophobicContact CD1-CZ 4.34Å; Y226-F228 AromaticContact CE1-CD1 3.75Å; Y226-F228 HydrophobicContact CE1-CD1 3.75Å; Y226-F228 HydrophobicContact CE1-CE1 4.23Å; Y226-F228 HydrophobicContact CE1-CG 4.16Å; Y226-F258 AromaticContact CD1-CE1 3.62Å; Y226-F258 HydrophobicContact CD1-CE1 3.62Å; Y226-F258 AromaticContact CD1-CZ 3.69Å; Y226-F258 HydrophobicContact CD1-CZ 3.69Å; Y226-F258 AromaticContact CD2-CE1 3.8Å; Y226-F258 HydrophobicContact CD2-CE1 3.8Å; Y226-F258 HydrophobicContact CE1-CE1 4Å; Y226-F258 AromaticContact CE1-CZ 3.96Å; Y226-F258 HydrophobicContact CE1-CZ 3.96Å; Y226-F258 HydrophobicContact CE2-CE1 4.16Å; Y226-F258 HydrophobicContact CG-CD1 4.5Å; Y226-F258 AromaticContact CG-CE1 3.51Å; Y226-F258 HydrophobicContact CG-CE1 3.51Å; Y226-F258 HydrophobicContact CG-CZ 4.07Å; Y226-P264 HydrophobicContact CD2-CG 4.37Å; Y226-P264 HydrophobicContact CE2-CB 4.44Å; Y226-P264 HydrophobicContact CE2-CG 3.76Å
227	Y	98.7	Very high	98.5	Very high	150 Å²	150	55 Å²	55	59%	0.588	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	114.6	167.6	-75.3	-100	0	0	0	107.4	N203 R204 I224	N203-Y227 CarbonylContact O-C 3.6Å; N203-Y227 WeakPolarHBondContact O-CA 3.43Å; R204-Y227 HydrophobicContact CG-CD1 3.93Å; R204-Y227 HydrophobicContact CG-CE1 3.87Å; I224-Y227 HydrophobicContact CB-CE2 4.23Å; I224-Y227 HydrophobicContact CG2-CD2 3.92Å; I224-Y227 HydrophobicContact CG2-CE1 4.38Å; I224-Y227 HydrophobicContact CG2-CE2 3.48Å; I224-Y227 VanDerWaalsContact CG2-CE2 3.48Å
228	F	98.4	Very high	98.5	Very high	12 Å²	12	53.1 Å²	53.1	5%	0.053	28%	0.283	C	S	.	.			trans	-69.7	168.1	174.4	-62.9	-82.9	0	0	0	110.9	N203 L205 Y226 P234 V247 M249 L256 F258	N203-F228 HydrophobicContact CB-CB 3.9Å; N203-F228 PolarHBondContact O-N 2.76Å; N203-F228 WeakPolarHBondContact OD1-CB 3.42Å; L205-F228 HydrophobicContact CB-CD2 4.46Å; L205-F228 HydrophobicContact CB-CE2 3.55Å; L205-F228 HydrophobicContact CB-CZ 3.96Å; L205-F228 HydrophobicContact CD1-CZ 4.42Å; Y226-F228 AromaticContact CD1-CD1 3.76Å; Y226-F228 HydrophobicContact CD1-CD1 3.76Å; Y226-F228 HydrophobicContact CD1-CD2 4.33Å; Y226-F228 AromaticContact CD1-CE1 3.97Å; Y226-F228 HydrophobicContact CD1-CE1 3.97Å; Y226-F228 AromaticContact CD1-CG 3.96Å; Y226-F228 HydrophobicContact CD1-CG 3.96Å; Y226-F228 HydrophobicContact CD1-CZ 4.34Å; Y226-F228 AromaticContact CE1-CD1 3.75Å; Y226-F228 HydrophobicContact CE1-CD1 3.75Å; Y226-F228 HydrophobicContact CE1-CE1 4.23Å; Y226-F228 HydrophobicContact CE1-CG 4.16Å; F228-P234 HydrophobicContact CD1-CB 4.38Å; F228-P234 HydrophobicContact CD2-CB 3.77Å; F228-P234 HydrophobicContact CD2-CG 3.53Å; F228-P234 HydrophobicContact CE1-CB 4.17Å; F228-P234 HydrophobicContact CE2-CB 3.52Å; F228-P234 HydrophobicContact CE2-CG 3.6Å; F228-P234 HydrophobicContact CG-CB 4.19Å; F228-P234 HydrophobicContact CG-CG 4.2Å; F228-P234 HydrophobicContact CZ-CB 3.75Å; F228-P234 HydrophobicContact CZ-CG 4.35Å; F228-V247 HydrophobicContact CE1-CG1 4.19Å; F228-V247 HydrophobicContact CZ-CB 4.44Å; F228-V247 HydrophobicContact CZ-CG1 3.97Å; F228-V247 HydrophobicContact CZ-CG2 4.38Å; F228-M249 HydrophobicContact CB-CE 3.96Å; F228-M249 HydrophobicContact CD1-CE 3.42Å; F228-M249 VanDerWaalsContact CD1-CE 3.42Å; F228-M249 HydrophobicContact CD1-SD 3.61Å; F228-M249 HydrophobicContact CE1-CE 4.05Å; F228-M249 HydrophobicContact CE1-SD 3.61Å; F228-M249 HydrophobicContact CG-CE 3.86Å; F228-M249 HydrophobicContact CG-SD 4.49Å; F228-L256 HydrophobicContact CD1-CD1 3.96Å; F228-L256 HydrophobicContact CE1-CD1 4.13Å; F228-F258 HydrophobicContact CD1-CZ 4.33Å; F228-F258 AromaticContact CE1-CE2 3.73Å; F228-F258 HydrophobicContact CE1-CE2 3.73Å; F228-F258 AromaticContact CE1-CZ 3.45Å; F228-F258 HydrophobicContact CE1-CZ 3.45Å; F228-F258 VanDerWaalsContact CE1-CZ 3.45Å; F228-F258 AromaticContact CZ-CE2 3.97Å; F228-F258 HydrophobicContact CZ-CE2 3.97Å; F228-F258 AromaticContact CZ-CZ 3.88Å; F228-F258 HydrophobicContact CZ-CZ 3.88Å
229	T	97.8	Very high	98.5	Very high	66 Å²	66	50.9 Å²	50.9	41%	0.405	27%	0.273	S	S	.	.			trans	-141.8	164.2	174.3	-166.7	0	0	0	0	110.4	S24 Q252	S24-T229 WeakPolarHBondContact OG-CG2 3.26Å; T229-Q252 PolarHBondContact O-NE2 3.47Å; T229-Q252 PolarHBondContact O-OE1 3Å
230	G	96.5	Very high	98.5	Very high	37 Å²	37	45.9 Å²	45.9	38%	0.381	24%	0.24	S	C	.	.	S	Bend	trans	88	158.6	-175.2	0	0	0	0	0	112.9	N203 Q252	N203-G230 PolarHBondContact ND2-O 2.76Å; N203-G230 VanDerWaalsContact ND2-O 3.17Å; G230-Q252 PolarHBondContact O-NE2 3.01Å
231	H	97.6	Very high	98.6	Very high	139 Å²	139	38.9 Å²	38.9	64%	0.644	22%	0.217	S	C	*	.	S	Bend	trans	-88.7	139.7	172.7	-179.3	68.2	0	0	0	109.2	G251 Q252	H231-G251 CarbonylContact O-C 3.53Å; H231-Q252 WeakPolarHBondContact O-CG 3.39Å
232	E	97.9	Very high	98.6	Very high	75 Å²	75	43.2 Å²	43.2	35%	0.35	24%	0.238	S	C	.	.	S	Bend	cis	-85.9	-56.4	-0.7	-52.1	-142.6	-145	0	0	111.8	N203 Y250	N203-E232 PolarHBondContact ND2-O 2.88Å; N203-E232 VanDerWaalsContact ND2-O 3.13Å; E232-Y250 HydrophobicContact CB-CD1 3.85Å; E232-Y250 HydrophobicContact CG-CD1 3.69Å; E232-Y250 HydrophobicContact CG-CE1 4.04Å; E232-Y250 PolarHBondContact N-O 3.3Å; E232-Y250 WeakPolarHBondContact OE1-CE1 3.41Å
233	G	98.6	Very high	98.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.6	-173.3	-178.1	0	0	0	0	0	113.2	N203 M249 Y250	N203-G233 VanDerWaalsContact OD1-CA 3.32Å; N203-G233 WeakPolarHBondContact OD1-CA 3.46Å; G233-M249 CarbonylContact O-C 3.58Å; G233-Y250 PolarHBondContact N-O 2.87Å; G233-Y250 PolarHBondContact O-N 2.79Å
234	P	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	146.2	176.9	34.8	-41.1	0	0	0	111.3	T198 T200 N203 F228 V247 M249	T198-P234 HydrophobicContact CG2-CB 4Å; T200-P234 WeakPolarHBondContact CA-O 3.5Å; T200-P234 WeakPolarHBondContact CB-O 3.31Å; T200-P234 PolarHBondContact OG1-O 2.85Å; N203-P234 WeakPolarHBondContact OD1-CD 3.26Å; F228-P234 HydrophobicContact CD1-CB 4.38Å; F228-P234 HydrophobicContact CD2-CB 3.77Å; F228-P234 HydrophobicContact CD2-CG 3.53Å; F228-P234 HydrophobicContact CE1-CB 4.17Å; F228-P234 HydrophobicContact CE2-CB 3.52Å; F228-P234 HydrophobicContact CE2-CG 3.6Å; F228-P234 HydrophobicContact CG-CB 4.19Å; F228-P234 HydrophobicContact CG-CG 4.2Å; F228-P234 HydrophobicContact CZ-CB 3.75Å; F228-P234 HydrophobicContact CZ-CG 4.35Å; P234-V247 HydrophobicContact CB-CG1 3.75Å; P234-M249 HydrophobicContact CB-CE 4.09Å; P234-M249 HydrophobicContact CB-SD 4.07Å
235	D	98.9	Very high	98.6	Very high	9 Å²	9	37.7 Å²	37.7	5%	0.048	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	-150	-176.3	-152.1	-30	0	0	0	109.8	N184 T198 A248 Y250 T282	N184-D235 PolarHBondContact ND2-OD1 2.72Å; N184-D235 WeakPolarHBondContact OD1-CA 3.28Å; N184-D235 PolarHBondContact OD1-OD1 3.18Å; N184-D235 VanDerWaalsContact OD1-OD1 3.08Å; T198-D235 WeakPolarHBondContact CG2-O 3.44Å; T198-D235 PolarHBondContact OG1-O 3.11Å; D235-A248 HydrophobicContact CB-CB 4.32Å; D235-A248 WeakPolarHBondContact CB-O 3.47Å; D235-A248 PolarHBondContact N-O 2.85Å; D235-Y250 WeakPolarHBondContact OD2-CB 3.19Å; D235-Y250 WeakPolarHBondContact OD2-CD2 3.31Å; D235-T282 WeakPolarHBondContact OD2-CA 3.49Å; D235-T282 WeakPolarHBondContact OD2-CG2 3.27Å
236	S	98.9	Very high	98.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	152.1	175.8	-62.3	0	0	0	0	113.4	E47 N184 A248 T282 H283 P284	E47-S236 WeakPolarHBondContact OE1-CB 3.13Å; E47-S236 PolarHBondContact OE1-OG 2.97Å; N184-S236 PolarHBondContact OD1-N 2.96Å; S236-A248 PolarHBondContact O-N 3.16Å; S236-T282 VanDerWaalsContact CB-O 3.24Å; S236-T282 WeakPolarHBondContact CB-O 3.13Å; S236-T282 PolarHBondContact N-O 3.21Å; S236-H283 WeakPolarHBondContact CB-ND1 3.36Å; S236-H283 PolarHBondContact OG-ND1 2.83Å; S236-P284 WeakPolarHBondContact O-CD 3.35Å
237	C	98.9	Very high	98.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.02	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.1	-177.7	63.8	0	0	0	0	113.3	G185 I186 L245 Y246 V247	G185-C237 VanDerWaalsContact C-SG 3.6Å; I186-C237 PolarHBondContact N-SG 3.22Å; C237-L245 HydrophobicContact CB-CD1 3.95Å; C237-L245 HydrophobicContact CB-CG 4.36Å; C237-Y246 CarbonylContact C-O 3.53Å; C237-Y246 WeakPolarHBondContact CA-O 3.39Å; C237-Y246 WeakPolarHBondContact CB-O 3.48Å; C237-V247 HydrophobicContact CB-CB 4.4Å; C237-V247 HydrophobicContact CB-CG2 3.93Å
238	C	98.9	Very high	98.6	Very high	11 Å²	11	26.8 Å²	26.8	7%	0.074	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	167.3	172.8	74	0	0	0	0	111.1	Y246 P284	C238-Y246 PolarHBondContact N-O 3.35Å; C238-Y246 PolarHBondContact O-N 3.18Å; C238-P284 WeakPolarHBondContact CB-O 3.31Å; C238-P284 PolarHBondContact SG-O 3.16Å
239	I	99	Very high	98.6	Very high	15 Å²	15	26.2 Å²	26.2	8%	0.077	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	155	174.5	62	151.7	0	0	0	113	A187 L188 T190 N244 L245 H318	A187-I239 HydrophobicContact CB-CG2 4.04Å; L188-I239 WeakPolarHBondContact O-CD1 3.14Å; T190-I239 HydrophobicContact CG2-CD1 3.83Å; I239-N244 CarbonylContact C-O 3.53Å; I239-N244 WeakPolarHBondContact CA-O 3.42Å; I239-L245 HydrophobicContact CG2-CD1 3.78Å; I239-H318 HydrophobicContact CD1-CB 3.84Å; I239-H318 HydrophobicContact CG1-CB 3.88Å
240	D	98.9	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-96.1	178.8	163.5	74.2	12.3	0	0	0	111.7	D242 D243 N244 Y246 F286 A315 K316	D240-D242 PolarHBondContact O-N 2.63Å; D240-D242 WeakPolarHBondContact OD1-CA 3.19Å; D240-D242 PolarHBondContact OD1-N 3.09Å; D240-D243 PolarHBondContact O-N 3Å; D240-D243 PolarHBondContact OD1-N 2.85Å; D240-N244 PolarHBondContact N-O 3.06Å; D240-N244 WeakPolarHBondContact OD1-CB 3.46Å; D240-N244 PolarHBondContact OD1-N 2.79Å; D240-N244 PolarHBondContact OD1-ND2 2.98Å; D240-N244 WeakPolarHBondContact OD2-CB 3.2Å; D240-N244 PolarHBondContact OD2-ND2 2.82Å; D240-Y246 HydrophobicContact CB-CE2 3.95Å; D240-F286 HydrophobicContact CB-CE2 3.81Å; D240-F286 HydrophobicContact CB-CZ 3.81Å; D240-A315 HydrophobicContact CB-CB 4.19Å; D240-A315 PolarHBondContact OD2-N 2.95Å; D240-K316 CarbonylContact C-O 3.5Å; D240-K316 WeakPolarHBondContact CA-O 3.46Å; D240-K316 WeakPolarHBondContact CB-O 3.33Å
241	S	98.8	Very high	98.8	Very high	56 Å²	56	23 Å²	23	39%	0.392	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-10	-178.2	65.2	0	0	0	0	114.5	A315 K316	S241-A315 WeakPolarHBondContact OG-CB 3.19Å; S241-K316 WeakPolarHBondContact CB-O 3.39Å; S241-K316 PolarHBondContact N-O 2.86Å; S241-K316 PolarHBondContact OG-O 3.43Å
242	D	98.9	Very high	98.8	Very high	101 Å²	101	16.6 Å²	16.6	54%	0.54	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	10.2	176.9	-78.9	8.5	0	0	0	111.7	D240 N244 A315	D240-D242 PolarHBondContact O-N 2.63Å; D240-D242 WeakPolarHBondContact OD1-CA 3.19Å; D240-D242 PolarHBondContact OD1-N 3.09Å; D242-N244 VanDerWaalsContact C-N 3.26Å; D242-N244 PolarHBondContact O-N 3.46Å; D242-A315 HydrophobicContact CB-CB 3.92Å
243	D	98.9	Very high	98.9	Very high	22 Å²	22	13 Å²	13	12%	0.118	7%	0.074	C	C	.	.			trans	61.8	28.2	-173.4	-82.3	-68.6	0	0	0	113.5	S189 T190 D240 K260	S189-D243 WeakPolarHBondContact CA-OD1 3.46Å; S189-D243 WeakPolarHBondContact CB-OD1 3.36Å; T190-D243 PolarHBondContact N-OD1 3.03Å; T190-D243 PolarHBondContact OG1-OD2 2.86Å; D240-D243 PolarHBondContact O-N 3Å; D240-D243 PolarHBondContact OD1-N 2.85Å; D243-K260 HydrophobicContact CB-CB 3.59Å; D243-K260 WeakPolarHBondContact O-CA 3.49Å; D243-K260 PolarHBondContact O-N 3.24Å; D243-K260 VanDerWaalsContact O-N 3.15Å
244	N	99	Very high	98.9	Very high	14 Å²	14	13.2 Å²	13.2	8%	0.075	8%	0.075	C	C	.	.			trans	-78.9	136.4	166.5	-53.3	-57.4	0	0	0	109.8	I239 D240 D242 Y246 V257 F258 N259 I265	I239-N244 CarbonylContact C-O 3.53Å; I239-N244 WeakPolarHBondContact CA-O 3.42Å; D240-N244 PolarHBondContact N-O 3.06Å; D240-N244 WeakPolarHBondContact OD1-CB 3.46Å; D240-N244 PolarHBondContact OD1-N 2.79Å; D240-N244 PolarHBondContact OD1-ND2 2.98Å; D240-N244 WeakPolarHBondContact OD2-CB 3.2Å; D240-N244 PolarHBondContact OD2-ND2 2.82Å; D242-N244 VanDerWaalsContact C-N 3.26Å; D242-N244 PolarHBondContact O-N 3.46Å; N244-Y246 HydrophobicContact CB-CE2 4.09Å; N244-V257 HydrophobicContact CB-CG1 4.2Å; N244-F258 CarbonylContact C-O 3.42Å; N244-F258 WeakPolarHBondContact CA-O 3.23Å; N244-F258 VanDerWaalsContact CB-O 3.31Å; N244-F258 WeakPolarHBondContact CB-O 3.46Å; N244-N259 WeakPolarHBondContact OD1-CA 3.42Å; N244-I265 HydrophobicContact CB-CD1 4.36Å; N244-I265 WeakPolarHBondContact OD1-CD1 3.49Å
245	L	99	Very high	98.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125.4	177.3	-175.8	74.8	0	0	0	110.2	A187 W196 L205 C237 I239 V247 V257 F258	A187-L245 HydrophobicContact CB-CD1 3.91Å; W196-L245 HydrophobicContact CB-CD1 3.97Å; W196-L245 HydrophobicContact CB-CD2 3.91Å; W196-L245 HydrophobicContact CD2-CD2 3.92Å; W196-L245 HydrophobicContact CE3-CD2 3.94Å; W196-L245 HydrophobicContact CG-CD1 4.01Å; W196-L245 HydrophobicContact CG-CD2 3.92Å; W196-L245 HydrophobicContact CG-CG 4.47Å; L205-L245 HydrophobicContact CD1-CD2 3.72Å; L205-L245 HydrophobicContact CD2-CD2 4.3Å; C237-L245 HydrophobicContact CB-CD1 3.95Å; C237-L245 HydrophobicContact CB-CG 4.36Å; I239-L245 HydrophobicContact CG2-CD1 3.78Å; L245-V247 HydrophobicContact CD2-CG2 3.67Å; L245-V247 HydrophobicContact CG-CG2 3.83Å; L245-V257 CarbonylContact O-C 3.54Å; L245-V257 VanDerWaalsContact O-CA 3.31Å; L245-V257 WeakPolarHBondContact O-CA 3.34Å; L245-F258 HydrophobicContact CB-CB 4.33Å; L245-F258 PolarHBondContact N-O 3.07Å; L245-F258 PolarHBondContact O-N 3.42Å
246	Y	99	Very high	98.9	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.008	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.5	175.6	-69.5	-103.4	0	0	0	108.7	C237 C238 D240 N244 V255 V257 I268 P284 F286 L293 G313 F314	C237-Y246 CarbonylContact C-O 3.53Å; C237-Y246 WeakPolarHBondContact CA-O 3.39Å; C237-Y246 WeakPolarHBondContact CB-O 3.48Å; C238-Y246 PolarHBondContact N-O 3.35Å; C238-Y246 PolarHBondContact O-N 3.18Å; D240-Y246 HydrophobicContact CB-CE2 3.95Å; N244-Y246 HydrophobicContact CB-CE2 4.09Å; Y246-V255 HydrophobicContact CD1-CG1 4.35Å; Y246-V257 HydrophobicContact CD1-CB 4.31Å; Y246-V257 HydrophobicContact CD1-CG1 3.94Å; Y246-V257 HydrophobicContact CD1-CG2 3.47Å; Y246-V257 VanDerWaalsContact CD1-CG2 3.47Å; Y246-V257 HydrophobicContact CD2-CG1 4.11Å; Y246-V257 HydrophobicContact CE1-CB 4.23Å; Y246-V257 HydrophobicContact CE1-CG1 3.67Å; Y246-V257 HydrophobicContact CE1-CG2 3.47Å; Y246-V257 VanDerWaalsContact CE1-CG2 3.47Å; Y246-V257 HydrophobicContact CE2-CG1 3.83Å; Y246-V257 HydrophobicContact CG-CG1 4.14Å; Y246-V257 HydrophobicContact CG-CG2 4.28Å; Y246-I268 HydrophobicContact CD1-CD1 4.22Å; Y246-I268 HydrophobicContact CE1-CD1 4.27Å; Y246-P284 WeakPolarHBondContact O-CG 3.46Å; Y246-F286 AromaticContact CD2-CE2 3.91Å; Y246-F286 HydrophobicContact CD2-CE2 3.91Å; Y246-F286 HydrophobicContact CD2-CZ 4.03Å; Y246-F286 HydrophobicContact CE1-CZ 4.25Å; Y246-F286 AromaticContact CE2-CE2 3.88Å; Y246-F286 HydrophobicContact CE2-CE2 3.88Å; Y246-F286 AromaticContact CE2-CZ 3.59Å; Y246-F286 HydrophobicContact CE2-CZ 3.59Å; Y246-F286 HydrophobicContact CG-CE2 4.5Å; Y246-F286 AromaticContact CZ-CZ 3.71Å; Y246-L293 HydrophobicContact CD1-CD2 3.62Å; Y246-L293 HydrophobicContact CE1-CD2 4.07Å; Y246-L293 HydrophobicContact CG-CD2 4.36Å; Y246-G313 VanDerWaalsContact OH-CA 3.25Å; Y246-G313 WeakPolarHBondContact OH-CA 3.39Å; Y246-F314 VanDerWaalsContact OH-CD2 3.31Å; Y246-F314 WeakPolarHBondContact OH-CD2 3.49Å; Y246-F314 PolarHBondContact OH-N 3.11Å
247	V	99	Very high	98.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.7	-176.5	-178.3	0	0	0	0	109.2	T198 F228 P234 C237 L245 M249 V255 L256 F258	T198-V247 HydrophobicContact CG2-CG1 3.74Å; T198-V247 HydrophobicContact CG2-CG2 4.24Å; F228-V247 HydrophobicContact CE1-CG1 4.19Å; F228-V247 HydrophobicContact CZ-CB 4.44Å; F228-V247 HydrophobicContact CZ-CG1 3.97Å; F228-V247 HydrophobicContact CZ-CG2 4.38Å; P234-V247 HydrophobicContact CB-CG1 3.75Å; C237-V247 HydrophobicContact CB-CB 4.4Å; C237-V247 HydrophobicContact CB-CG2 3.93Å; L245-V247 HydrophobicContact CD2-CG2 3.67Å; L245-V247 HydrophobicContact CG-CG2 3.83Å; V247-M249 HydrophobicContact CG1-SD 3.94Å; V247-V255 CarbonylContact O-C 3.51Å; V247-V255 VanDerWaalsContact O-CA 3.26Å; V247-V255 WeakPolarHBondContact O-CA 3.32Å; V247-V255 WeakPolarHBondContact O-CG1 3.17Å; V247-L256 PolarHBondContact N-O 3.07Å; V247-L256 PolarHBondContact O-N 3.37Å; V247-F258 HydrophobicContact CB-CE2 4.2Å; V247-F258 HydrophobicContact CG2-CD2 3.99Å; V247-F258 HydrophobicContact CG2-CE2 3.83Å
248	A	99	Very high	98.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	144.4	168.6	0	0	0	0	0	110.2	D235 S236 V255 T282 P284	D235-A248 HydrophobicContact CB-CB 4.32Å; D235-A248 WeakPolarHBondContact CB-O 3.47Å; D235-A248 PolarHBondContact N-O 2.85Å; S236-A248 PolarHBondContact O-N 3.16Å; A248-V255 HydrophobicContact CB-CG2 4.29Å; A248-T282 VanDerWaalsContact CB-C 3.42Å; A248-T282 WeakPolarHBondContact CB-O 3.48Å; A248-P284 HydrophobicContact CB-CG 4.45Å
249	M	98.9	Very high	98.9	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	99.9	-176.2	-59.9	-57.3	-55.3	0	0	109.2	F228 G233 P234 V247 G251 Q252 R254 L256 S281	F228-M249 HydrophobicContact CB-CE 3.96Å; F228-M249 HydrophobicContact CD1-CE 3.42Å; F228-M249 VanDerWaalsContact CD1-CE 3.42Å; F228-M249 HydrophobicContact CD1-SD 3.61Å; F228-M249 HydrophobicContact CE1-CE 4.05Å; F228-M249 HydrophobicContact CE1-SD 3.61Å; F228-M249 HydrophobicContact CG-CE 3.86Å; F228-M249 HydrophobicContact CG-SD 4.49Å; G233-M249 CarbonylContact O-C 3.58Å; P234-M249 HydrophobicContact CB-CE 4.09Å; P234-M249 HydrophobicContact CB-SD 4.07Å; V247-M249 HydrophobicContact CG1-SD 3.94Å; M249-G251 PolarHBondContact O-N 2.86Å; M249-Q252 HydrophobicContact CB-CB 3.75Å; M249-Q252 HydrophobicContact CB-CG 4.03Å; M249-Q252 PolarHBondContact O-N 2.99Å; M249-Q252 VanDerWaalsContact O-N 3.07Å; M249-R254 HydrophobicContact CB-CG 3.85Å; M249-R254 WeakPolarHBondContact CB-O 3.38Å; M249-R254 HydrophobicContact CG-CG 3.96Å; M249-R254 PolarHBondContact N-O 3.23Å; M249-L256 HydrophobicContact CG-CD1 4.23Å; M249-L256 HydrophobicContact CG-CG 4.22Å; M249-L256 HydrophobicContact SD-CD1 4.08Å; M249-S281 CarbonylContact C-O 3.45Å; M249-S281 PolarHBondContact O-OG 2.84Å
250	Y	98.9	Very high	98.9	Very high	30 Å²	30	18.7 Å²	18.7	12%	0.118	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	130.8	-178.2	-168.3	-121.4	0	0	0	111.3	Q45 E232 G233 D235 Q252 R280 T282	Q45-Y250 PolarHBondContact NE2-OH 2.9Å; Q45-Y250 VanDerWaalsContact NE2-OH 3.07Å; E232-Y250 HydrophobicContact CB-CD1 3.85Å; E232-Y250 HydrophobicContact CG-CD1 3.69Å; E232-Y250 HydrophobicContact CG-CE1 4.04Å; E232-Y250 PolarHBondContact N-O 3.3Å; E232-Y250 WeakPolarHBondContact OE1-CE1 3.41Å; G233-Y250 PolarHBondContact N-O 2.87Å; G233-Y250 PolarHBondContact O-N 2.79Å; D235-Y250 WeakPolarHBondContact OD2-CB 3.19Å; D235-Y250 WeakPolarHBondContact OD2-CD2 3.31Å; Y250-Q252 PolarHBondContact O-N 3.1Å; Y250-R280 HydrophobicContact CD2-CB 4.37Å; Y250-R280 HydrophobicContact CE2-CB 3.75Å; Y250-R280 HydrophobicContact CE2-CG 3.69Å; Y250-R280 PolarHBondContact OH-NE 2.83Å; Y250-T282 HydrophobicContact CD2-CG2 3.85Å; Y250-T282 HydrophobicContact CE2-CG2 4.03Å
251	G	98.7	Very high	98.9	Very high	6 Å²	6	26.2 Å²	26.2	6%	0.062	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	3.6	-177.5	0	0	0	0	0	114.6	V20 H231 M249 L279	V20-G251 WeakPolarHBondContact CG1-O 3.45Å; H231-G251 CarbonylContact O-C 3.53Å; M249-G251 PolarHBondContact O-N 2.86Å; G251-L279 CarbonylContact C-O 3.55Å; G251-L279 VanDerWaalsContact C-O 3.28Å; G251-L279 VanDerWaalsContact CA-O 3.26Å; G251-L279 WeakPolarHBondContact CA-O 3.34Å; G251-L279 PolarHBondContact N-O 2.73Å
252	Q	98.7	Very high	98.9	Very high	5 Å²	5	23.6 Å²	23.6	2%	0.023	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-8	-175.6	-55.4	-172.2	20.6	0	0	114.5	T229 G230 H231 M249 Y250 R254 R273 L279	T229-Q252 PolarHBondContact O-NE2 3.47Å; T229-Q252 PolarHBondContact O-OE1 3Å; G230-Q252 PolarHBondContact O-NE2 3.01Å; H231-Q252 WeakPolarHBondContact O-CG 3.39Å; M249-Q252 HydrophobicContact CB-CB 3.75Å; M249-Q252 HydrophobicContact CB-CG 4.03Å; M249-Q252 PolarHBondContact O-N 2.99Å; M249-Q252 VanDerWaalsContact O-N 3.07Å; Y250-Q252 PolarHBondContact O-N 3.1Å; Q252-R254 VanDerWaalsContact C-N 3.32Å; Q252-R254 HydrophobicContact CB-CG 3.92Å; Q252-R254 PolarHBondContact O-N 2.85Å; Q252-R254 VanDerWaalsContact OE1-CZ 3.24Å; Q252-R273 PolarHBondContact O-NE 3.28Å; Q252-R273 PolarHBondContact O-NH2 2.87Å; Q252-L279 PolarHBondContact N-O 3.29Å; Q252-L279 VanDerWaalsContact N-O 3.07Å
253	G	98.8	Very high	98.9	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	45	-179.2	0	0	0	0	0	112.3	I270 R273 L279 S281	G253-I270 WeakPolarHBondContact O-CB 3.46Å; G253-I270 PolarHBondContact O-N 3.45Å; G253-R273 WeakPolarHBondContact O-CD 3.31Å; G253-R273 PolarHBondContact O-NE 3.26Å; G253-L279 PolarHBondContact N-O 2.92Å; G253-S281 PolarHBondContact N-OG 3.29Å
254	R	98.8	Very high	98.9	Very high	4 Å²	4	27 Å²	27	2%	0.015	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	164.2	-179.4	67.5	176.7	178.5	165	-1.1	113.1	E25 M249 Q252 I268 L269 S281	E25-R254 IonicContact OE2-CZ 3.11Å; E25-R254 IonicContact OE2-NH1 2.73Å; E25-R254 PolarHBondContact OE2-NH1 2.8Å; E25-R254 IonicContact OE2-NH2 3.52Å; E25-R254 PolarHBondContact OE2-NH2 2.79Å; M249-R254 HydrophobicContact CB-CG 3.85Å; M249-R254 WeakPolarHBondContact CB-O 3.38Å; M249-R254 HydrophobicContact CG-CG 3.96Å; M249-R254 PolarHBondContact N-O 3.23Å; Q252-R254 VanDerWaalsContact C-N 3.32Å; Q252-R254 HydrophobicContact CB-CG 3.92Å; Q252-R254 PolarHBondContact O-N 2.85Å; Q252-R254 VanDerWaalsContact OE1-CZ 3.24Å; R254-I268 CarbonylContact C-O 3.5Å; R254-I268 WeakPolarHBondContact CA-O 3.48Å; R254-I268 VanDerWaalsContact CB-O 3.27Å; R254-I268 WeakPolarHBondContact CB-O 3.3Å; R254-L269 HydrophobicContact CB-CD2 4.05Å; R254-S281 PolarHBondContact N-OG 3.1Å; R254-S281 VanDerWaalsContact N-OG 3.08Å; R254-S281 PolarHBondContact O-OG 2.88Å
255	V	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.5	166.4	177.7	0	0	0	0	108.3	Y246 V247 A248 Q267 I268 P284 I295	Y246-V255 HydrophobicContact CD1-CG1 4.35Å; V247-V255 CarbonylContact O-C 3.51Å; V247-V255 VanDerWaalsContact O-CA 3.26Å; V247-V255 WeakPolarHBondContact O-CA 3.32Å; V247-V255 WeakPolarHBondContact O-CG1 3.17Å; A248-V255 HydrophobicContact CB-CG2 4.29Å; V255-Q267 WeakPolarHBondContact O-CA 3.26Å; V255-I268 HydrophobicContact CB-CB 4.2Å; V255-I268 HydrophobicContact CB-CD1 4.18Å; V255-I268 HydrophobicContact CG1-CD1 4.24Å; V255-I268 PolarHBondContact N-O 3.38Å; V255-I268 PolarHBondContact O-N 2.75Å; V255-P284 HydrophobicContact CG1-CB 4.44Å; V255-I295 HydrophobicContact CB-CD1 4.42Å; V255-I295 HydrophobicContact CG2-CD1 3.67Å; V255-I295 HydrophobicContact CG2-CG1 3.98Å; V255-I295 HydrophobicContact CG2-CG2 3.79Å
256	L	98.9	Very high	98.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.2	171.3	-77.8	173.9	0	0	0	110.3	E25 L28 F228 V247 M249 F258 Q267	E25-L256 HydrophobicContact CB-CD2 4.3Å; E25-L256 HydrophobicContact CG-CD1 4.34Å; E25-L256 HydrophobicContact CG-CD2 4.01Å; L28-L256 HydrophobicContact CD1-CD2 3.97Å; F228-L256 HydrophobicContact CD1-CD1 3.96Å; F228-L256 HydrophobicContact CE1-CD1 4.13Å; V247-L256 PolarHBondContact N-O 3.07Å; V247-L256 PolarHBondContact O-N 3.37Å; M249-L256 HydrophobicContact CG-CD1 4.23Å; M249-L256 HydrophobicContact CG-CG 4.22Å; M249-L256 HydrophobicContact SD-CD1 4.08Å; L256-F258 HydrophobicContact CB-CE2 3.83Å; L256-F258 HydrophobicContact CB-CZ 4.09Å; L256-F258 HydrophobicContact CD1-CZ 4.4Å; L256-Q267 HydrophobicContact CD2-CB 4.2Å; L256-Q267 HydrophobicContact CD2-CG 4.25Å
257	V	98.9	Very high	98.8	Very high	2 Å²	2	29 Å²	29	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.9	-177.9	-165.8	0	0	0	0	110	N244 L245 Y246 P264 I265 G266 I268 F314	N244-V257 HydrophobicContact CB-CG1 4.2Å; L245-V257 CarbonylContact O-C 3.54Å; L245-V257 VanDerWaalsContact O-CA 3.31Å; L245-V257 WeakPolarHBondContact O-CA 3.34Å; Y246-V257 HydrophobicContact CD1-CB 4.31Å; Y246-V257 HydrophobicContact CD1-CG1 3.94Å; Y246-V257 HydrophobicContact CD1-CG2 3.47Å; Y246-V257 VanDerWaalsContact CD1-CG2 3.47Å; Y246-V257 HydrophobicContact CD2-CG1 4.11Å; Y246-V257 HydrophobicContact CE1-CB 4.23Å; Y246-V257 HydrophobicContact CE1-CG1 3.67Å; Y246-V257 HydrophobicContact CE1-CG2 3.47Å; Y246-V257 VanDerWaalsContact CE1-CG2 3.47Å; Y246-V257 HydrophobicContact CE2-CG1 3.83Å; Y246-V257 HydrophobicContact CG-CG1 4.14Å; Y246-V257 HydrophobicContact CG-CG2 4.28Å; V257-P264 CarbonylContact O-C 3.58Å; V257-P264 WeakPolarHBondContact O-CA 3.2Å; V257-I265 HydrophobicContact CB-CG1 4.36Å; V257-I265 HydrophobicContact CG1-CD1 4.29Å; V257-I265 HydrophobicContact CG1-CG1 4.17Å; V257-I265 WeakPolarHBondContact O-CG1 3.28Å; V257-I265 PolarHBondContact O-N 3.36Å; V257-G266 PolarHBondContact N-O 3.07Å; V257-G266 PolarHBondContact O-N 3.03Å; V257-I268 HydrophobicContact CG2-CD1 4.26Å; V257-F314 HydrophobicContact CB-CE2 4.07Å; V257-F314 HydrophobicContact CG1-CD2 3.84Å; V257-F314 HydrophobicContact CG1-CE2 3.7Å
258	F	98.9	Very high	98.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	146.6	-179.8	-56.7	-92.7	0	0	0	110.2	L205 Y226 F228 N244 L245 V247 L256 G262 Y263 P264	L205-F258 HydrophobicContact CD2-CD1 4.14Å; L205-F258 HydrophobicContact CD2-CD2 4.27Å; L205-F258 HydrophobicContact CD2-CE1 4.27Å; L205-F258 HydrophobicContact CD2-CE2 4.39Å; L205-F258 HydrophobicContact CD2-CG 4.15Å; L205-F258 HydrophobicContact CD2-CZ 4.4Å; Y226-F258 AromaticContact CD1-CE1 3.62Å; Y226-F258 HydrophobicContact CD1-CE1 3.62Å; Y226-F258 AromaticContact CD1-CZ 3.69Å; Y226-F258 HydrophobicContact CD1-CZ 3.69Å; Y226-F258 AromaticContact CD2-CE1 3.8Å; Y226-F258 HydrophobicContact CD2-CE1 3.8Å; Y226-F258 HydrophobicContact CE1-CE1 4Å; Y226-F258 AromaticContact CE1-CZ 3.96Å; Y226-F258 HydrophobicContact CE1-CZ 3.96Å; Y226-F258 HydrophobicContact CE2-CE1 4.16Å; Y226-F258 HydrophobicContact CG-CD1 4.5Å; Y226-F258 AromaticContact CG-CE1 3.51Å; Y226-F258 HydrophobicContact CG-CE1 3.51Å; Y226-F258 HydrophobicContact CG-CZ 4.07Å; F228-F258 HydrophobicContact CD1-CZ 4.33Å; F228-F258 AromaticContact CE1-CE2 3.73Å; F228-F258 HydrophobicContact CE1-CE2 3.73Å; F228-F258 AromaticContact CE1-CZ 3.45Å; F228-F258 HydrophobicContact CE1-CZ 3.45Å; F228-F258 VanDerWaalsContact CE1-CZ 3.45Å; F228-F258 AromaticContact CZ-CE2 3.97Å; F228-F258 HydrophobicContact CZ-CE2 3.97Å; F228-F258 AromaticContact CZ-CZ 3.88Å; F228-F258 HydrophobicContact CZ-CZ 3.88Å; N244-F258 CarbonylContact C-O 3.42Å; N244-F258 WeakPolarHBondContact CA-O 3.23Å; N244-F258 VanDerWaalsContact CB-O 3.31Å; N244-F258 WeakPolarHBondContact CB-O 3.46Å; L245-F258 HydrophobicContact CB-CB 4.33Å; L245-F258 PolarHBondContact N-O 3.07Å; L245-F258 PolarHBondContact O-N 3.42Å; V247-F258 HydrophobicContact CB-CE2 4.2Å; V247-F258 HydrophobicContact CG2-CD2 3.99Å; V247-F258 HydrophobicContact CG2-CE2 3.83Å; L256-F258 HydrophobicContact CB-CE2 3.83Å; L256-F258 HydrophobicContact CB-CZ 4.09Å; L256-F258 HydrophobicContact CD1-CZ 4.4Å; F258-G262 WeakPolarHBondContact CD1-O 3.4Å; F258-Y263 CarbonylContact C-O 3.49Å; F258-Y263 WeakPolarHBondContact CA-O 3.4Å; F258-P264 HydrophobicContact CD1-CB 4.06Å; F258-P264 HydrophobicContact CE1-CB 3.92Å
259	N	98.9	Very high	98.8	Very high	40 Å²	40	30.7 Å²	30.7	21%	0.214	14%	0.137	C	C	.	.			trans	-77.2	174.8	168.5	66.4	32.7	0	0	0	111.7	N244 R261 G262 Y263 I265	N244-N259 WeakPolarHBondContact OD1-CA 3.42Å; N259-R261 PolarHBondContact O-N 3.41Å; N259-R261 WeakPolarHBondContact OD1-CA 3.32Å; N259-R261 WeakPolarHBondContact OD1-CB 3.08Å; N259-R261 PolarHBondContact OD1-N 2.79Å; N259-G262 PolarHBondContact O-N 2.83Å; N259-G262 PolarHBondContact OD1-N 2.88Å; N259-Y263 PolarHBondContact N-O 3.03Å; N259-Y263 PolarHBondContact OD1-N 3.35Å; N259-I265 HydrophobicContact CB-CD1 4.14Å; N259-I265 HydrophobicContact CB-CG2 3.97Å
260	K	98.9	Very high	98.8	Very high	111 Å²	111	30.8 Å²	30.8	48%	0.483	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-11.9	178.5	72.5	-175.9	179.5	-177.4	0	117.3	W196 D243	W196-K260 WeakPolarHBondContact CZ2-O 3.23Å; D243-K260 HydrophobicContact CB-CB 3.59Å; D243-K260 WeakPolarHBondContact O-CA 3.49Å; D243-K260 PolarHBondContact O-N 3.24Å; D243-K260 VanDerWaalsContact O-N 3.15Å
261	R	98.8	Very high	98.8	Very high	158 Å²	158	31.6 Å²	31.6	60%	0.596	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.3	0.4	176.1	-66.2	-177	175	83.4	-1.8	113.2	N259 Y263	N259-R261 PolarHBondContact O-N 3.41Å; N259-R261 WeakPolarHBondContact OD1-CA 3.32Å; N259-R261 WeakPolarHBondContact OD1-CB 3.08Å; N259-R261 PolarHBondContact OD1-N 2.79Å; R261-Y263 HydrophobicContact CB-CD2 3.86Å; R261-Y263 HydrophobicContact CB-CE2 4.21Å
262	G	98.8	Very high	98.8	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.01	16%	0.157	C	C	.	.	S	Bend	trans	83.1	16.3	178.5	0	0	0	0	0	113.8	F258 N259	F258-G262 WeakPolarHBondContact CD1-O 3.4Å; N259-G262 PolarHBondContact O-N 2.83Å; N259-G262 PolarHBondContact OD1-N 2.88Å
263	Y	98.7	Very high	98.8	Very high	157 Å²	157	32.8 Å²	32.8	62%	0.616	16%	0.157	S	C	*	.			trans	-89.8	134.3	173.9	-74.3	-99.3	0	0	0	110	F258 N259 R261	F258-Y263 CarbonylContact C-O 3.49Å; F258-Y263 WeakPolarHBondContact CA-O 3.4Å; N259-Y263 PolarHBondContact N-O 3.03Å; N259-Y263 PolarHBondContact OD1-N 3.35Å; R261-Y263 HydrophobicContact CB-CD2 3.86Å; R261-Y263 HydrophobicContact CB-CE2 4.21Å
264	P	98.8	Very high	98.7	Very high	37 Å²	37	36.4 Å²	36.4	24%	0.24	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	134.7	177.4	30.3	-36.3	0	0	0	110.5	L28 Y226 V257 F258	L28-P264 HydrophobicContact CD1-CB 3.78Å; L28-P264 HydrophobicContact CD2-CB 4.03Å; L28-P264 HydrophobicContact CD2-CG 4.29Å; Y226-P264 HydrophobicContact CD2-CG 4.37Å; Y226-P264 HydrophobicContact CE2-CB 4.44Å; Y226-P264 HydrophobicContact CE2-CG 3.76Å; V257-P264 CarbonylContact O-C 3.58Å; V257-P264 WeakPolarHBondContact O-CA 3.2Å; F258-P264 HydrophobicContact CD1-CB 4.06Å; F258-P264 HydrophobicContact CE1-CB 3.92Å
265	I	98.6	Very high	98.6	Very high	50 Å²	50	42.3 Å²	42.3	26%	0.256	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-16.1	-176.8	56.4	166	0	0	0	113.3	N244 V257 N259 F314	N244-I265 HydrophobicContact CB-CD1 4.36Å; N244-I265 WeakPolarHBondContact OD1-CD1 3.49Å; V257-I265 HydrophobicContact CB-CG1 4.36Å; V257-I265 HydrophobicContact CG1-CD1 4.29Å; V257-I265 HydrophobicContact CG1-CG1 4.17Å; V257-I265 WeakPolarHBondContact O-CG1 3.28Å; V257-I265 PolarHBondContact O-N 3.36Å; N259-I265 HydrophobicContact CB-CD1 4.14Å; N259-I265 HydrophobicContact CB-CG2 3.97Å; I265-F314 HydrophobicContact CB-CZ 4.49Å; I265-F314 HydrophobicContact CD1-CD2 3.8Å; I265-F314 HydrophobicContact CD1-CE2 3.58Å; I265-F314 HydrophobicContact CD1-CG 4.42Å; I265-F314 HydrophobicContact CD1-CZ 4.01Å; I265-F314 HydrophobicContact CG1-CD2 4.49Å; I265-F314 HydrophobicContact CG1-CE2 3.81Å; I265-F314 HydrophobicContact CG1-CZ 4.13Å
266	G	98.7	Very high	98.5	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	164.2	-178.6	0	0	0	0	0	113.2	Q29 V257	Q29-G266 CarbonylContact O-C 3.58Å; Q29-G266 WeakPolarHBondContact O-CA 3.26Å; V257-G266 PolarHBondContact N-O 3.07Å; V257-G266 PolarHBondContact O-N 3.03Å
267	Q	98.8	Very high	98.5	Very high	7 Å²	7	45.9 Å²	45.9	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	138.9	180	176.4	171.8	-120	0	0	110.7	L28 Q29 T30 I31 V255 L256 L269	L28-Q267 HydrophobicContact CB-CB 4.44Å; Q29-Q267 PolarHBondContact O-N 2.85Å; T30-Q267 WeakPolarHBondContact CA-O 3.03Å; T30-Q267 HydrophobicContact CG2-CB 4.37Å; T30-Q267 HydrophobicContact CG2-CG 4.19Å; T30-Q267 PolarHBondContact OG1-NE2 3.4Å; I31-Q267 PolarHBondContact N-O 2.74Å; V255-Q267 WeakPolarHBondContact O-CA 3.26Å; L256-Q267 HydrophobicContact CD2-CB 4.2Å; L256-Q267 HydrophobicContact CD2-CG 4.25Å; Q267-L269 HydrophobicContact CG-CD2 3.75Å
268	I	98.9	Very high	98.5	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.2	177.4	-57.2	154.2	0	0	0	107.8	I31 A33 Y246 R254 V255 V257 L293 I295 V311	I31-I268 HydrophobicContact CD1-CG1 4.23Å; I31-I268 HydrophobicContact CG1-CG1 4.03Å; I31-I268 CarbonylContact O-C 3.54Å; I31-I268 WeakPolarHBondContact O-CA 3.44Å; A33-I268 HydrophobicContact CB-CG2 3.86Å; Y246-I268 HydrophobicContact CD1-CD1 4.22Å; Y246-I268 HydrophobicContact CE1-CD1 4.27Å; R254-I268 CarbonylContact C-O 3.5Å; R254-I268 WeakPolarHBondContact CA-O 3.48Å; R254-I268 VanDerWaalsContact CB-O 3.27Å; R254-I268 WeakPolarHBondContact CB-O 3.3Å; V255-I268 HydrophobicContact CB-CB 4.2Å; V255-I268 HydrophobicContact CB-CD1 4.18Å; V255-I268 HydrophobicContact CG1-CD1 4.24Å; V255-I268 PolarHBondContact N-O 3.38Å; V255-I268 PolarHBondContact O-N 2.75Å; V257-I268 HydrophobicContact CG2-CD1 4.26Å; I268-L293 HydrophobicContact CD1-CD2 3.89Å; I268-I295 HydrophobicContact CB-CD1 4.45Å; I268-I295 HydrophobicContact CD1-CD1 4.33Å; I268-I295 HydrophobicContact CG2-CD1 3.75Å; I268-V311 HydrophobicContact CD1-CG2 3.67Å; I268-V311 HydrophobicContact CG1-CG2 4.08Å; I268-V311 HydrophobicContact CG2-CG1 3.72Å; I268-V311 HydrophobicContact CG2-CG2 4.13Å
269	L	98.7	Very high	98.5	Very high	29 Å²	29	47.6 Å²	47.6	15%	0.152	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.5	179.1	-55.1	-174.4	0	0	0	111.1	I22 T30 I31 T32 A33 R254 Q267	I22-L269 HydrophobicContact CD1-CD2 3.51Å; T30-L269 HydrophobicContact CG2-CD1 3.69Å; T30-L269 HydrophobicContact CG2-CD2 4.21Å; T30-L269 HydrophobicContact CG2-CG 3.63Å; I31-L269 PolarHBondContact O-N 3.08Å; T32-L269 WeakPolarHBondContact CA-O 3.36Å; A33-L269 PolarHBondContact N-O 2.87Å; R254-L269 HydrophobicContact CB-CD2 4.05Å; Q267-L269 HydrophobicContact CG-CD2 3.75Å
270	I	98.9	Very high	98.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-87.7	131	169.1	-56.2	-58.3	0	0	0	109.1	A33 G253 R273 M278 I295 Y309	A33-I270 HydrophobicContact CB-CD1 4.18Å; G253-I270 WeakPolarHBondContact O-CB 3.46Å; G253-I270 PolarHBondContact O-N 3.45Å; I270-R273 WeakPolarHBondContact O-CB 3.43Å; I270-R273 WeakPolarHBondContact O-CG 3.42Å; I270-R273 PolarHBondContact O-N 3.46Å; I270-M278 HydrophobicContact CG2-CB 3.62Å; I270-I295 HydrophobicContact CD1-CG2 4.14Å; I270-Y309 HydrophobicContact CD1-CD2 4.09Å; I270-Y309 HydrophobicContact CD1-CG 4.01Å; I270-Y309 HydrophobicContact CG2-CD1 4.4Å; I270-Y309 HydrophobicContact CG2-CD2 4.09Å; I270-Y309 HydrophobicContact CG2-CE1 4.04Å; I270-Y309 HydrophobicContact CG2-CE2 3.68Å; I270-Y309 HydrophobicContact CG2-CG 4.44Å
271	P	98.7	Very high	98.5	Very high	47 Å²	47	42.3 Å²	42.3	31%	0.305	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	137.8	175.2	-26.9	33.2	0	0	0	113.3	T32 A33 Y309	T32-P271 HydrophobicContact CG2-CG 3.87Å; A33-P271 WeakPolarHBondContact O-CD 3.49Å; A33-P271 WeakPolarHBondContact O-CG 3.28Å; P271-Y309 HydrophobicContact CG-CD1 4.35Å; P271-Y309 HydrophobicContact CG-CE1 3.91Å
272	G	98.2	Very high	98.5	Very high	27 Å²	27	34.9 Å²	34.9	28%	0.278	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-4	177.8	0	0	0	0	0	115.3	D274 E275 G276 H277	G272-D274 PolarHBondContact O-N 3.1Å; G272-E275 PolarHBondContact O-N 2.96Å; G272-E275 VanDerWaalsContact O-N 3.11Å; G272-G276 PolarHBondContact O-N 3.14Å; G272-H277 CarbonylContact C-O 3.55Å; G272-H277 WeakPolarHBondContact O-CB 3.41Å; G272-H277 PolarHBondContact O-N 2.77Å
273	R	98.2	Very high	98.5	Very high	9 Å²	9	34.9 Å²	34.9	3%	0.034	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-56.8	-34.5	-179.1	67.7	178	-57.3	-69.8	0.4	113.9	V20 Q252 G253 I270 E275 G276 H277 L279	V20-R273 HydrophobicContact CG2-CB 4.21Å; V20-R273 VanDerWaalsContact CG2-O 3.22Å; V20-R273 WeakPolarHBondContact CG2-O 3.33Å; V20-R273 VanDerWaalsContact O-CZ 3.28Å; V20-R273 PolarHBondContact O-NH1 2.88Å; V20-R273 PolarHBondContact O-NH2 3.01Å; Q252-R273 PolarHBondContact O-NE 3.28Å; Q252-R273 PolarHBondContact O-NH2 2.87Å; G253-R273 WeakPolarHBondContact O-CD 3.31Å; G253-R273 PolarHBondContact O-NE 3.26Å; I270-R273 WeakPolarHBondContact O-CB 3.43Å; I270-R273 WeakPolarHBondContact O-CG 3.42Å; I270-R273 PolarHBondContact O-N 3.46Å; R273-E275 PolarHBondContact O-N 2.96Å; R273-G276 PolarHBondContact O-N 2.93Å; R273-H277 WeakPolarHBondContact CA-O 3.38Å; R273-H277 PolarHBondContact N-O 3.47Å; R273-L279 HydrophobicContact CB-CD2 3.97Å
274	D	96.7	Very high	98.5	Very high	76 Å²	76	27.4 Å²	27.4	41%	0.406	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-71	-22.5	-175.8	-71.8	-19.2	0	0	0	111.8	S18 A19 G272	S18-D274 WeakPolarHBondContact CB-OD1 3.21Å; S18-D274 WeakPolarHBondContact OG-CA 3.44Å; S18-D274 PolarHBondContact OG-OD1 3.38Å; A19-D274 PolarHBondContact N-O 3.05Å; G272-D274 PolarHBondContact O-N 3.1Å
275	E	97.3	Very high	98.6	Very high	129 Å²	129	26.6 Å²	26.6	60%	0.603	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-96.2	4.6	173.4	-61	73.6	-152	0	0	112.9	G272 R273	G272-E275 PolarHBondContact O-N 2.96Å; G272-E275 VanDerWaalsContact O-N 3.11Å; R273-E275 PolarHBondContact O-N 2.96Å
276	G	98	Very high	98.6	Very high	9 Å²	9	24.8 Å²	24.8	9%	0.093	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	13.1	179.6	0	0	0	0	0	115	G272 R273 M302	G272-G276 PolarHBondContact O-N 3.14Å; R273-G276 PolarHBondContact O-N 2.93Å; G276-M302 WeakPolarHBondContact O-CG 3.22Å
277	H	98.7	Very high	98.6	Very high	66 Å²	66	25.9 Å²	25.9	31%	0.306	14%	0.137	S	C	.	.			trans	-89.6	147.8	176.5	-71.3	-81	0	0	0	112.5	G272 R273 L279 D299	G272-H277 CarbonylContact C-O 3.55Å; G272-H277 WeakPolarHBondContact O-CB 3.41Å; G272-H277 PolarHBondContact O-N 2.77Å; R273-H277 WeakPolarHBondContact CA-O 3.38Å; R273-H277 PolarHBondContact N-O 3.47Å; H277-L279 PolarHBondContact O-N 2.96Å; H277-L279 VanDerWaalsContact O-N 3.16Å; H277-D299 WeakPolarHBondContact CA-OD1 3.37Å; H277-D299 IonicContact CE1-OD2 3.65Å; H277-D299 IonicContact CG-OD1 2.78Å; H277-D299 IonicContact CG-OD2 2.88Å; H277-D299 IonicContact ND1-OD1 3.7Å; H277-D299 PolarHBondContact ND1-OD1 3.2Å; H277-D299 IonicContact ND1-OD2 2.86Å; H277-D299 PolarHBondContact ND1-OD2 3.4Å
278	M	98.8	Very high	98.6	Very high	21 Å²	21	27.1 Å²	27.1	10%	0.103	15%	0.146	C	C	.	.	S	Bend	trans	54.5	35.2	172.1	-64.4	-79.6	-176.4	0	0	113.4	I270 R280 S297 N298 D299 M307 Y309	I270-M278 HydrophobicContact CG2-CB 3.62Å; M278-R280 VanDerWaalsContact C-N 3.26Å; M278-R280 PolarHBondContact O-N 3Å; M278-S297 VanDerWaalsContact C-OG 3.3Å; M278-S297 PolarHBondContact O-OG 2.97Å; M278-N298 WeakPolarHBondContact CA-O 3.27Å; M278-D299 HydrophobicContact CE-CB 3.82Å; M278-D299 HydrophobicContact CG-CB 4.09Å; M278-D299 PolarHBondContact N-OD1 2.81Å; M278-D299 HydrophobicContact SD-CB 3.81Å; M278-M307 HydrophobicContact CE-CB 3.88Å; M278-M307 HydrophobicContact SD-CB 4.26Å; M278-Y309 WeakPolarHBondContact CG-OH 3.13Å; M278-Y309 HydrophobicContact SD-CE2 4.21Å
279	L	98.9	Very high	98.5	Very high	17 Å²	17	28.6 Å²	28.6	9%	0.089	16%	0.163	C	C	.	.			trans	-70.1	-23.5	-177.6	-66.3	-172.5	0	0	0	113.3	V20 G251 Q252 G253 R273 H277 S281	V20-L279 HydrophobicContact CG1-CD1 4.09Å; V20-L279 HydrophobicContact CG1-CD2 4.12Å; V20-L279 HydrophobicContact CG2-CD2 3.58Å; G251-L279 CarbonylContact C-O 3.55Å; G251-L279 VanDerWaalsContact C-O 3.28Å; G251-L279 VanDerWaalsContact CA-O 3.26Å; G251-L279 WeakPolarHBondContact CA-O 3.34Å; G251-L279 PolarHBondContact N-O 2.73Å; Q252-L279 PolarHBondContact N-O 3.29Å; Q252-L279 VanDerWaalsContact N-O 3.07Å; G253-L279 PolarHBondContact N-O 2.92Å; R273-L279 HydrophobicContact CB-CD2 3.97Å; H277-L279 PolarHBondContact O-N 2.96Å; H277-L279 VanDerWaalsContact O-N 3.16Å; L279-S281 PolarHBondContact O-N 3.01Å
280	R	98.9	Very high	98.5	Very high	40 Å²	40	29.5 Å²	29.5	15%	0.151	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-82.1	54.2	-176.4	-64	-174.8	169.7	-164	2.9	112.6	Q45 Y250 M278 T282 S297 N298 E301	Q45-R280 VanDerWaalsContact OE1-CD 3.3Å; Y250-R280 HydrophobicContact CD2-CB 4.37Å; Y250-R280 HydrophobicContact CE2-CB 3.75Å; Y250-R280 HydrophobicContact CE2-CG 3.69Å; Y250-R280 PolarHBondContact OH-NE 2.83Å; M278-R280 VanDerWaalsContact C-N 3.26Å; M278-R280 PolarHBondContact O-N 3Å; R280-T282 PolarHBondContact O-N 3.19Å; R280-S297 WeakPolarHBondContact O-CA 3.39Å; R280-S297 PolarHBondContact O-OG 3.42Å; R280-N298 WeakPolarHBondContact CB-ND2 3.42Å; R280-N298 VanDerWaalsContact CD-OD1 3.27Å; R280-N298 WeakPolarHBondContact CD-OD1 3.5Å; R280-E301 WeakPolarHBondContact CG-OE1 3.36Å; R280-E301 IonicContact CZ-OE1 3.89Å; R280-E301 IonicContact NE-OE1 3.41Å; R280-E301 PolarHBondContact NE-OE1 3.16Å; R280-E301 IonicContact NH2-OE1 2.63Å; R280-E301 PolarHBondContact NH2-OE1 2.85Å
281	S	98.9	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.184	C	C	.	.			trans	-71.2	112.8	169	44.2	0	0	0	0	109.6	M249 G253 R254 L279 C296 S297	M249-S281 CarbonylContact C-O 3.45Å; M249-S281 PolarHBondContact O-OG 2.84Å; G253-S281 PolarHBondContact N-OG 3.29Å; R254-S281 PolarHBondContact N-OG 3.1Å; R254-S281 VanDerWaalsContact N-OG 3.08Å; R254-S281 PolarHBondContact O-OG 2.88Å; L279-S281 PolarHBondContact O-N 3.01Å; S281-C296 WeakPolarHBondContact CA-O 3.1Å; S281-S297 PolarHBondContact N-OG 2.76Å
282	T	98.9	Very high	98.5	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	18%	0.183	C	C	.	.			trans	-111.2	-45.7	-168.8	47.3	0	0	0	0	113.4	L46 D235 S236 A248 Y250 R280 C296	L46-T282 PolarHBondContact O-OG1 3.43Å; D235-T282 WeakPolarHBondContact OD2-CA 3.49Å; D235-T282 WeakPolarHBondContact OD2-CG2 3.27Å; S236-T282 VanDerWaalsContact CB-O 3.24Å; S236-T282 WeakPolarHBondContact CB-O 3.13Å; S236-T282 PolarHBondContact N-O 3.21Å; A248-T282 VanDerWaalsContact CB-C 3.42Å; A248-T282 WeakPolarHBondContact CB-O 3.48Å; Y250-T282 HydrophobicContact CD2-CG2 3.85Å; Y250-T282 HydrophobicContact CE2-CG2 4.03Å; R280-T282 PolarHBondContact O-N 3.19Å; T282-C296 PolarHBondContact N-O 2.88Å; T282-C296 VanDerWaalsContact N-O 3.16Å; T282-C296 PolarHBondContact OG1-SG 3.37Å
283	H	99	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	130.5	-171.8	-145.9	114.7	0	0	0	112.9	E47 L49 K92 D138 S236 I295 C296	E47-H283 VanDerWaalsContact CD-ND1 3.27Å; E47-H283 WeakPolarHBondContact OE1-CB 3.17Å; E47-H283 IonicContact OE1-CG 2.69Å; E47-H283 IonicContact OE1-ND1 3.3Å; E47-H283 PolarHBondContact OE1-ND1 2.99Å; E47-H283 IonicContact OE2-CE1 3.78Å; E47-H283 IonicContact OE2-CG 2.8Å; E47-H283 IonicContact OE2-ND1 3.92Å; E47-H283 PolarHBondContact OE2-ND1 3.39Å; L49-H283 HydrophobicContact CB-CB 4.38Å; L49-H283 HydrophobicContact CD1-CB 4.14Å; L49-H283 WeakPolarHBondContact CD1-O 3.36Å; L49-H283 HydrophobicContact CG-CB 4Å; K92-H283 PolarHBondContact NZ-CE1 3.11Å; K92-H283 PolarHBondContact NZ-NE2 3.1Å; D138-H283 IonicContact OD2-CE1 3.38Å; S236-H283 WeakPolarHBondContact CB-ND1 3.36Å; S236-H283 PolarHBondContact OG-ND1 2.83Å; H283-I295 WeakPolarHBondContact O-CA 3.49Å; H283-C296 WeakPolarHBondContact CB-SG 3.15Å; H283-C296 PolarHBondContact O-N 2.87Å
284	P	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	139.1	165.9	34.7	-26.2	0	0	0	111.9	S236 C238 Y246 A248 V255 L293 I294 I295	S236-P284 WeakPolarHBondContact O-CD 3.35Å; C238-P284 WeakPolarHBondContact CB-O 3.31Å; C238-P284 PolarHBondContact SG-O 3.16Å; Y246-P284 WeakPolarHBondContact O-CG 3.46Å; A248-P284 HydrophobicContact CB-CG 4.45Å; V255-P284 HydrophobicContact CG1-CB 4.44Å; P284-L293 HydrophobicContact CB-CD1 4.13Å; P284-L293 HydrophobicContact CB-CD2 4.13Å; P284-L293 HydrophobicContact CB-CG 4.37Å; P284-I294 CarbonylContact C-O 3.58Å; P284-I294 WeakPolarHBondContact CA-O 3.15Å; P284-I295 HydrophobicContact CB-CG1 4.45Å
285	Q	98.9	Very high	98.7	Very high	20 Å²	20	27.6 Å²	27.6	9%	0.093	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	137.9	175.5	-156.6	77.2	173.9	0	0	112.5	L49 N50 F51 I294	L49-Q285 HydrophobicContact CB-CB 3.56Å; L49-Q285 HydrophobicContact CB-CG 4.23Å; L49-Q285 HydrophobicContact CD1-CB 4.08Å; L49-Q285 VanDerWaalsContact O-CD 3.25Å; L49-Q285 WeakPolarHBondContact O-CG 3.21Å; N50-Q285 PolarHBondContact ND2-OE1 3.31Å; N50-Q285 VanDerWaalsContact ND2-OE1 3.16Å; F51-Q285 HydrophobicContact CD2-CG 3.92Å; F51-Q285 HydrophobicContact CE2-CB 4.22Å; F51-Q285 HydrophobicContact CE2-CG 4.03Å; Q285-I294 PolarHBondContact N-O 3.23Å; Q285-I294 PolarHBondContact O-N 3.23Å
286	F	98.9	Very high	98.8	Very high	13 Å²	13	21.4 Å²	21.4	6%	0.057	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	140.6	-179.6	-73.6	-83.1	0	0	0	112.9	F51 D240 Y246 Q292 L293 G317	F51-F286 WeakPolarHBondContact CD2-O 3.42Å; F51-F286 WeakPolarHBondContact CE2-O 3.25Å; D240-F286 HydrophobicContact CB-CE2 3.81Å; D240-F286 HydrophobicContact CB-CZ 3.81Å; Y246-F286 AromaticContact CD2-CE2 3.91Å; Y246-F286 HydrophobicContact CD2-CE2 3.91Å; Y246-F286 HydrophobicContact CD2-CZ 4.03Å; Y246-F286 HydrophobicContact CE1-CZ 4.25Å; Y246-F286 AromaticContact CE2-CE2 3.88Å; Y246-F286 HydrophobicContact CE2-CE2 3.88Å; Y246-F286 AromaticContact CE2-CZ 3.59Å; Y246-F286 HydrophobicContact CE2-CZ 3.59Å; Y246-F286 HydrophobicContact CG-CE2 4.5Å; Y246-F286 AromaticContact CZ-CZ 3.71Å; F286-Q292 WeakPolarHBondContact CA-O 3.35Å; F286-L293 HydrophobicContact CD1-CB 4.12Å; F286-L293 HydrophobicContact CD1-CD1 3.92Å; F286-L293 HydrophobicContact CD2-CD1 3.65Å; F286-L293 HydrophobicContact CE1-CB 3.96Å; F286-L293 HydrophobicContact CE1-CD1 3.89Å; F286-L293 HydrophobicContact CE2-CD1 3.61Å; F286-L293 HydrophobicContact CG-CD1 3.81Å; F286-L293 HydrophobicContact CZ-CB 4.48Å; F286-L293 HydrophobicContact CZ-CD1 3.74Å; F286-G317 VanDerWaalsContact CG-CA 3.47Å
287	I	98.8	Very high	98.8	Very high	24 Å²	24	21 Å²	21	12%	0.123	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-66	125	164.4	-62	179.5	0	0	0	108	W36 F51 P72 G289 T290 Q292 I294	W36-I287 HydrophobicContact CZ2-CD1 4.46Å; F51-I287 HydrophobicContact CE1-CB 4.42Å; F51-I287 HydrophobicContact CE1-CG1 3.97Å; F51-I287 HydrophobicContact CZ-CB 4.27Å; F51-I287 HydrophobicContact CZ-CG1 3.64Å; P72-I287 HydrophobicContact CB-CD1 4.46Å; I287-G289 PolarHBondContact O-N 2.7Å; I287-T290 HydrophobicContact CG2-CG2 4.2Å; I287-T290 PolarHBondContact O-N 3.11Å; I287-T290 VanDerWaalsContact O-N 3.16Å; I287-T290 PolarHBondContact O-OG1 3.19Å; I287-Q292 HydrophobicContact CD1-CB 4.35Å; I287-Q292 HydrophobicContact CD1-CG 4.05Å; I287-Q292 PolarHBondContact N-O 2.99Å; I287-I294 HydrophobicContact CD1-CD1 4.14Å; I287-I294 HydrophobicContact CD1-CG1 4.29Å; I287-I294 HydrophobicContact CG1-CD1 4.35Å; I287-I294 HydrophobicContact CG1-CG1 3.96Å
288	P	98.7	Very high	98.9	Very high	34 Å²	34	17.9 Å²	17.9	22%	0.221	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	137	-173.1	-29.6	36.1	0	0	0	113.7	F51 T290 F323	F51-P288 HydrophobicContact CB-CG 3.51Å; F51-P288 HydrophobicContact CD1-CG 4.23Å; F51-P288 VanDerWaalsContact CG-CD 3.47Å; F51-P288 HydrophobicContact CG-CG 3.88Å; P288-T290 PolarHBondContact O-N 3.14Å; P288-F323 HydrophobicContact CB-CE1 3.87Å; P288-F323 HydrophobicContact CB-CE2 4.43Å; P288-F323 HydrophobicContact CB-CZ 3.84Å; P288-F323 HydrophobicContact CG-CE1 3.69Å; P288-F323 HydrophobicContact CG-CE2 4.01Å; P288-F323 HydrophobicContact CG-CZ 3.27Å
289	G	98.3	Very high	98.9	Very high	37 Å²	37	17.6 Å²	17.6	38%	0.381	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-0.8	179.1	0	0	0	0	0	116	I287 K316	I287-G289 PolarHBondContact O-N 2.7Å; G289-K316 WeakPolarHBondContact O-CD 3.22Å; G289-K316 VanDerWaalsContact O-CE 3.32Å; G289-K316 WeakPolarHBondContact O-CE 3.37Å; G289-K316 PolarHBondContact O-NZ 3.11Å
290	T	98.8	Very high	98.8	Very high	47 Å²	47	19.3 Å²	19.3	29%	0.288	11%	0.109	S	C	.	.	S	Bend	trans	-120.2	169.1	-179.8	80.1	0	0	0	0	111.4	I287 P288 Q292 K316 G317	I287-T290 HydrophobicContact CG2-CG2 4.2Å; I287-T290 PolarHBondContact O-N 3.11Å; I287-T290 VanDerWaalsContact O-N 3.16Å; I287-T290 PolarHBondContact O-OG1 3.19Å; P288-T290 PolarHBondContact O-N 3.14Å; T290-Q292 WeakPolarHBondContact OG1-CB 3.49Å; T290-Q292 PolarHBondContact OG1-N 2.63Å; T290-K316 CarbonylContact O-C 3.5Å; T290-K316 WeakPolarHBondContact O-CA 3.14Å; T290-G317 PolarHBondContact O-N 3.32Å
291	N	98.8	Very high	98.8	Very high	61 Å²	61	21.6 Å²	21.6	33%	0.326	12%	0.121	S	C	.	.	S	Bend	trans	-95.5	12	164.6	69.3	-35.8	0	0	0	112.4	L293 N312 G313 A315	N291-L293 PolarHBondContact O-N 3.2Å; N291-N312 CarbonylContact O-C 3.36Å; N291-N312 WeakPolarHBondContact O-CA 3.09Å; N291-G313 PolarHBondContact ND2-O 3.33Å; N291-G313 PolarHBondContact O-N 3.16Å; N291-A315 WeakPolarHBondContact CA-O 3.4Å; N291-A315 WeakPolarHBondContact CB-O 3.36Å
292	Q	98.9	Very high	98.8	Very high	59 Å²	59	26.3 Å²	26.3	28%	0.276	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.3	176.6	-174.9	171.9	7.5	0	0	109.5	F286 I287 T290 T310 V311	F286-Q292 WeakPolarHBondContact CA-O 3.35Å; I287-Q292 HydrophobicContact CD1-CB 4.35Å; I287-Q292 HydrophobicContact CD1-CG 4.05Å; I287-Q292 PolarHBondContact N-O 2.99Å; T290-Q292 WeakPolarHBondContact OG1-CB 3.49Å; T290-Q292 PolarHBondContact OG1-N 2.63Å; Q292-T310 VanDerWaalsContact CG-OG1 3.25Å; Q292-T310 WeakPolarHBondContact CG-OG1 3.32Å; Q292-T310 PolarHBondContact NE2-OG1 2.87Å; Q292-V311 CarbonylContact C-O 3.51Å; Q292-V311 WeakPolarHBondContact CA-O 3.06Å
293	L	99	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.9	177.9	-170.5	75.2	0	0	0	109.5	Y246 I268 P284 F286 N291 I295 T310 V311	Y246-L293 HydrophobicContact CD1-CD2 3.62Å; Y246-L293 HydrophobicContact CE1-CD2 4.07Å; Y246-L293 HydrophobicContact CG-CD2 4.36Å; I268-L293 HydrophobicContact CD1-CD2 3.89Å; P284-L293 HydrophobicContact CB-CD1 4.13Å; P284-L293 HydrophobicContact CB-CD2 4.13Å; P284-L293 HydrophobicContact CB-CG 4.37Å; F286-L293 HydrophobicContact CD1-CB 4.12Å; F286-L293 HydrophobicContact CD1-CD1 3.92Å; F286-L293 HydrophobicContact CD2-CD1 3.65Å; F286-L293 HydrophobicContact CE1-CB 3.96Å; F286-L293 HydrophobicContact CE1-CD1 3.89Å; F286-L293 HydrophobicContact CE2-CD1 3.61Å; F286-L293 HydrophobicContact CG-CD1 3.81Å; F286-L293 HydrophobicContact CZ-CB 4.48Å; F286-L293 HydrophobicContact CZ-CD1 3.74Å; N291-L293 PolarHBondContact O-N 3.2Å; L293-I295 HydrophobicContact CD2-CD1 4.15Å; L293-I295 HydrophobicContact CD2-CG1 4.02Å; L293-I295 HydrophobicContact CG-CG1 4.28Å; L293-T310 WeakPolarHBondContact O-CA 3.4Å; L293-T310 WeakPolarHBondContact O-CB 3.4Å; L293-T310 PolarHBondContact O-OG1 3.39Å; L293-V311 HydrophobicContact CB-CG2 4.08Å; L293-V311 HydrophobicContact CD2-CG2 4.27Å; L293-V311 PolarHBondContact N-O 3.18Å; L293-V311 PolarHBondContact O-N 3.39Å; L293-V311 VanDerWaalsContact O-N 3.16Å
294	I	98.9	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.4	168.4	-57.7	-54.5	0	0	0	108.6	W36 L49 F51 L57 P284 Q285 I287 L308 Y309	W36-I294 HydrophobicContact CD2-CD1 3.65Å; W36-I294 HydrophobicContact CE3-CD1 3.8Å; W36-I294 HydrophobicContact CE3-CG1 4.48Å; W36-I294 HydrophobicContact CE3-CG2 4.27Å; W36-I294 HydrophobicContact CG-CD1 4.09Å; W36-I294 HydrophobicContact CH2-CD1 4.32Å; W36-I294 HydrophobicContact CZ2-CD1 4.19Å; W36-I294 HydrophobicContact CZ3-CD1 4.13Å; W36-I294 HydrophobicContact CZ3-CG1 4.42Å; W36-I294 HydrophobicContact CZ3-CG2 4.4Å; L49-I294 HydrophobicContact CD1-CB 4.46Å; L49-I294 HydrophobicContact CD1-CG2 4.07Å; F51-I294 HydrophobicContact CZ-CG1 4.2Å; L57-I294 HydrophobicContact CD2-CG2 4.38Å; P284-I294 CarbonylContact C-O 3.58Å; P284-I294 WeakPolarHBondContact CA-O 3.15Å; Q285-I294 PolarHBondContact N-O 3.23Å; Q285-I294 PolarHBondContact O-N 3.23Å; I287-I294 HydrophobicContact CD1-CD1 4.14Å; I287-I294 HydrophobicContact CD1-CG1 4.29Å; I287-I294 HydrophobicContact CG1-CD1 4.35Å; I287-I294 HydrophobicContact CG1-CG1 3.96Å; I294-L308 HydrophobicContact CG2-CB 4.12Å; I294-L308 HydrophobicContact CG2-CD1 4.15Å; I294-L308 HydrophobicContact CG2-CD2 4.36Å; I294-L308 HydrophobicContact CG2-CG 4.44Å; I294-Y309 CarbonylContact C-O 3.57Å; I294-Y309 WeakPolarHBondContact CA-O 3.13Å
295	I	99	Very high	98.7	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.9	178.7	-55.2	161.3	0	0	0	108	V255 I268 I270 H283 P284 L293 L308 Y309	V255-I295 HydrophobicContact CB-CD1 4.42Å; V255-I295 HydrophobicContact CG2-CD1 3.67Å; V255-I295 HydrophobicContact CG2-CG1 3.98Å; V255-I295 HydrophobicContact CG2-CG2 3.79Å; I268-I295 HydrophobicContact CB-CD1 4.45Å; I268-I295 HydrophobicContact CD1-CD1 4.33Å; I268-I295 HydrophobicContact CG2-CD1 3.75Å; I270-I295 HydrophobicContact CD1-CG2 4.14Å; H283-I295 WeakPolarHBondContact O-CA 3.49Å; P284-I295 HydrophobicContact CB-CG1 4.45Å; L293-I295 HydrophobicContact CD2-CD1 4.15Å; L293-I295 HydrophobicContact CD2-CG1 4.02Å; L293-I295 HydrophobicContact CG-CG1 4.28Å; I295-L308 CarbonylContact O-C 3.57Å; I295-L308 WeakPolarHBondContact O-CA 3.13Å; I295-Y309 PolarHBondContact N-O 3.46Å; I295-Y309 PolarHBondContact O-N 3.18Å
296	C	98.9	Very high	98.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.8	173	58.1	0	0	0	0	111.5	L46 L49 S281 T282 H283 L308	L46-C296 HydrophobicContact CB-CB 3.8Å; L46-C296 HydrophobicContact CD1-CB 4.23Å; L49-C296 HydrophobicContact CD1-CB 4.28Å; L49-C296 HydrophobicContact CD2-CB 4.19Å; L49-C296 HydrophobicContact CG-CB 4.35Å; S281-C296 WeakPolarHBondContact CA-O 3.1Å; T282-C296 PolarHBondContact N-O 2.88Å; T282-C296 VanDerWaalsContact N-O 3.16Å; T282-C296 PolarHBondContact OG1-SG 3.37Å; H283-C296 WeakPolarHBondContact CB-SG 3.15Å; H283-C296 PolarHBondContact O-N 2.87Å; C296-L308 HydrophobicContact CB-CD2 3.4Å
297	S	98.9	Very high	98.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	165.7	169.3	-168.3	0	0	0	0	110.6	M278 R280 S281 M307	M278-S297 VanDerWaalsContact C-OG 3.3Å; M278-S297 PolarHBondContact O-OG 2.97Å; R280-S297 WeakPolarHBondContact O-CA 3.39Å; R280-S297 PolarHBondContact O-OG 3.42Å; S281-S297 PolarHBondContact N-OG 2.76Å; S297-M307 PolarHBondContact N-O 2.79Å; S297-M307 PolarHBondContact O-N 2.73Å
298	N	98.9	Very high	98.7	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.5	174.7	72.3	83.2	0	0	0	111.4	L44 Q45 M278 R280 I300	L44-N298 WeakPolarHBondContact O-CB 3.43Å; L44-N298 VanDerWaalsContact O-CG 3.25Å; L44-N298 PolarHBondContact O-ND2 3.4Å; Q45-N298 PolarHBondContact OE1-ND2 2.61Å; Q45-N298 VanDerWaalsContact OE1-ND2 3.08Å; M278-N298 WeakPolarHBondContact CA-O 3.27Å; R280-N298 WeakPolarHBondContact CB-ND2 3.42Å; R280-N298 VanDerWaalsContact CD-OD1 3.27Å; R280-N298 WeakPolarHBondContact CD-OD1 3.5Å; N298-I300 WeakPolarHBondContact OD1-CB 3.42Å; N298-I300 VanDerWaalsContact OD1-CD1 3.23Å; N298-I300 WeakPolarHBondContact OD1-CD1 3.45Å; N298-I300 WeakPolarHBondContact OD1-CG1 3.39Å; N298-I300 PolarHBondContact OD1-N 3.08Å
299	D	98.8	Very high	98.7	Very high	14 Å²	14	28.7 Å²	28.7	8%	0.075	18%	0.179	C	C	.	.			trans	-117.6	33.8	-173.9	-158.8	34.7	0	0	0	112.1	H277 M278 E301 M302 G303 G304 G305	H277-D299 WeakPolarHBondContact CA-OD1 3.37Å; H277-D299 IonicContact CE1-OD2 3.65Å; H277-D299 IonicContact CG-OD1 2.78Å; H277-D299 IonicContact CG-OD2 2.88Å; H277-D299 IonicContact ND1-OD1 3.7Å; H277-D299 PolarHBondContact ND1-OD1 3.2Å; H277-D299 IonicContact ND1-OD2 2.86Å; H277-D299 PolarHBondContact ND1-OD2 3.4Å; M278-D299 HydrophobicContact CE-CB 3.82Å; M278-D299 HydrophobicContact CG-CB 4.09Å; M278-D299 PolarHBondContact N-OD1 2.81Å; M278-D299 HydrophobicContact SD-CB 3.81Å; D299-E301 PolarHBondContact O-N 3.32Å; D299-E301 VanDerWaalsContact O-N 3.16Å; D299-M302 PolarHBondContact O-N 3.44Å; D299-M302 VanDerWaalsContact O-N 3.11Å; D299-G303 PolarHBondContact O-N 3.18Å; D299-G303 VanDerWaalsContact O-N 3.14Å; D299-G304 PolarHBondContact O-N 3.3Å; D299-G305 PolarHBondContact N-O 2.65Å
300	I	98.7	Very high	98.7	Very high	54 Å²	54	27.7 Å²	27.7	28%	0.277	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-50.2	-40.6	178.5	-75.2	169.2	0	0	0	111.2	G43 Q45 F63 N298 M302 G303	G43-I300 VanDerWaalsContact C-CG1 3.49Å; G43-I300 VanDerWaalsContact CA-CG1 3.46Å; Q45-I300 HydrophobicContact CB-CD1 4.23Å; F63-I300 HydrophobicContact CD2-CD1 4.44Å; F63-I300 HydrophobicContact CE2-CD1 4.25Å; N298-I300 WeakPolarHBondContact OD1-CB 3.42Å; N298-I300 VanDerWaalsContact OD1-CD1 3.23Å; N298-I300 WeakPolarHBondContact OD1-CD1 3.45Å; N298-I300 WeakPolarHBondContact OD1-CG1 3.39Å; N298-I300 PolarHBondContact OD1-N 3.08Å; I300-M302 VanDerWaalsContact C-N 3.27Å; I300-M302 PolarHBondContact O-N 2.9Å; I300-G303 PolarHBondContact O-N 3.05Å; I300-G303 VanDerWaalsContact O-N 3.14Å
301	E	98.1	Very high	98.7	Very high	87 Å²	87	26.2 Å²	26.2	41%	0.407	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-62.6	-32.2	-176.1	-72	167.5	-157.5	0	0	113.4	R280 D299	R280-E301 WeakPolarHBondContact CG-OE1 3.36Å; R280-E301 IonicContact CZ-OE1 3.89Å; R280-E301 IonicContact NE-OE1 3.41Å; R280-E301 PolarHBondContact NE-OE1 3.16Å; R280-E301 IonicContact NH2-OE1 2.63Å; R280-E301 PolarHBondContact NH2-OE1 2.85Å; D299-E301 PolarHBondContact O-N 3.32Å; D299-E301 VanDerWaalsContact O-N 3.16Å
302	M	98	Very high	98.7	Very high	100 Å²	100	28 Å²	28	49%	0.493	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-103.7	8.1	178.9	-58.1	-61.2	-75.4	0	0	112.4	G276 D299 I300 G304	G276-M302 WeakPolarHBondContact O-CG 3.22Å; D299-M302 PolarHBondContact O-N 3.44Å; D299-M302 VanDerWaalsContact O-N 3.11Å; I300-M302 VanDerWaalsContact C-N 3.27Å; I300-M302 PolarHBondContact O-N 2.9Å; M302-G304 VanDerWaalsContact C-N 3.26Å; M302-G304 PolarHBondContact O-N 3.44Å
303	G	97.9	Very high	98.7	Very high	68 Å²	68	25.9 Å²	25.9	70%	0.701	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	16	-177.5	0	0	0	0	0	114.4	D299 I300	D299-G303 PolarHBondContact O-N 3.18Å; D299-G303 VanDerWaalsContact O-N 3.14Å; I300-G303 PolarHBondContact O-N 3.05Å; I300-G303 VanDerWaalsContact O-N 3.14Å
304	G	98.2	Very high	98.7	Very high	20 Å²	20	30.1 Å²	30.1	21%	0.206	18%	0.179	C	C	.	.			trans	-84.2	-166	178.4	0	0	0	0	0	113.7	K42 G43 D299 M302	K42-G304 CarbonylContact C-O 3.23Å; G43-G304 WeakPolarHBondContact CA-O 3.33Å; G43-G304 PolarHBondContact N-O 3.13Å; D299-G304 PolarHBondContact O-N 3.3Å; M302-G304 VanDerWaalsContact C-N 3.26Å; M302-G304 PolarHBondContact O-N 3.44Å
305	G	98.6	Very high	98.7	Very high	13 Å²	13	30.7 Å²	30.7	13%	0.134	18%	0.183	C	C	.	.			trans	-91.9	-159.6	-175.4	0	0	0	0	0	114.7	S40 D299	S40-G305 CarbonylContact O-C 3.59Å; S40-G305 VanDerWaalsContact O-CA 3.26Å; S40-G305 WeakPolarHBondContact O-CA 3.43Å; D299-G305 PolarHBondContact N-O 2.65Å
306	S	98.9	Very high	98.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	128.9	-179.9	-44.8	0	0	0	0	109.7	I39 S40 K42 L44	I39-S306 PolarHBondContact N-O 3.31Å; S40-S306 PolarHBondContact N-O 2.74Å; S40-S306 PolarHBondContact O-N 3.33Å; K42-S306 PolarHBondContact O-OG 3.24Å; L44-S306 WeakPolarHBondContact CA-OG 3.36Å; L44-S306 WeakPolarHBondContact CB-OG 3.31Å; L44-S306 PolarHBondContact N-OG 2.94Å; L44-S306 PolarHBondContact O-OG 3.02Å
307	M	98.9	Very high	98.7	Very high	29 Å²	29	36.8 Å²	36.8	14%	0.143	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.7	-165.7	-178.6	67.9	67.8	0	0	111	P35 E38 M278 S297 Y309	P35-M307 HydrophobicContact CB-CE 4.44Å; P35-M307 HydrophobicContact CB-CG 4.46Å; P35-M307 HydrophobicContact CB-SD 4Å; E38-M307 HydrophobicContact CB-CE 3.75Å; E38-M307 HydrophobicContact CB-SD 4.28Å; E38-M307 HydrophobicContact CG-CE 4.26Å; E38-M307 PolarHBondContact N-SD 2.75Å; M278-M307 HydrophobicContact CE-CB 3.88Å; M278-M307 HydrophobicContact SD-CB 4.26Å; S297-M307 PolarHBondContact N-O 2.79Å; S297-M307 PolarHBondContact O-N 2.73Å; M307-Y309 HydrophobicContact CB-CD2 4.33Å; M307-Y309 HydrophobicContact CB-CE2 3.65Å; M307-Y309 HydrophobicContact CG-CD2 3.93Å; M307-Y309 HydrophobicContact CG-CE1 4.17Å; M307-Y309 HydrophobicContact CG-CE2 3.46Å; M307-Y309 VanDerWaalsContact CG-CE2 3.46Å; M307-Y309 HydrophobicContact CG-CG 4.47Å
308	L	99	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.6	162.6	-59.9	-174.3	0	0	0	109.3	W36 L37 I39 L46 L49 L57 L59 I70 I294 I295 C296	W36-L308 WeakPolarHBondContact CA-O 3.41Å; W36-L308 WeakPolarHBondContact CB-O 3.46Å; W36-L308 HydrophobicContact CE3-CB 3.77Å; W36-L308 HydrophobicContact CE3-CD1 3.79Å; W36-L308 HydrophobicContact CE3-CG 4.44Å; W36-L308 HydrophobicContact CZ3-CB 4.48Å; W36-L308 HydrophobicContact CZ3-CD1 3.63Å; W36-L308 PolarHBondContact N-O 2.83Å; L37-L308 HydrophobicContact CB-CB 4.4Å; L37-L308 PolarHBondContact N-O 2.89Å; L37-L308 PolarHBondContact O-N 2.88Å; I39-L308 HydrophobicContact CD1-CD1 3.83Å; I39-L308 HydrophobicContact CD1-CG 3.89Å; I39-L308 HydrophobicContact CG1-CD1 4.32Å; I39-L308 HydrophobicContact CG1-CD2 4.38Å; I39-L308 HydrophobicContact CG1-CG 3.84Å; L46-L308 HydrophobicContact CD1-CD2 4.19Å; L49-L308 HydrophobicContact CD2-CD2 4.06Å; L57-L308 HydrophobicContact CD2-CD1 3.67Å; L59-L308 HydrophobicContact CD1-CD1 4.43Å; L59-L308 HydrophobicContact CD1-CD2 3.99Å; I70-L308 HydrophobicContact CD1-CD1 3.95Å; I294-L308 HydrophobicContact CG2-CB 4.12Å; I294-L308 HydrophobicContact CG2-CD1 4.15Å; I294-L308 HydrophobicContact CG2-CD2 4.36Å; I294-L308 HydrophobicContact CG2-CG 4.44Å; I295-L308 CarbonylContact O-C 3.57Å; I295-L308 WeakPolarHBondContact O-CA 3.13Å; C296-L308 HydrophobicContact CB-CD2 3.4Å
309	Y	99	Very high	98.6	Very high	12 Å²	12	43.4 Å²	43.4	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	164.4	175.8	-67.9	-93	0	0	0	110.5	A33 E34 P35 I270 P271 M278 I294 I295 M307	A33-Y309 HydrophobicContact CB-CD1 4.34Å; A33-Y309 HydrophobicContact CB-CG 4.47Å; E34-Y309 CarbonylContact O-C 3.5Å; E34-Y309 WeakPolarHBondContact O-CA 3.23Å; P35-Y309 HydrophobicContact CB-CE1 4.35Å; P35-Y309 HydrophobicContact CG-CD1 4.39Å; P35-Y309 HydrophobicContact CG-CE1 3.99Å; I270-Y309 HydrophobicContact CD1-CD2 4.09Å; I270-Y309 HydrophobicContact CD1-CG 4.01Å; I270-Y309 HydrophobicContact CG2-CD1 4.4Å; I270-Y309 HydrophobicContact CG2-CD2 4.09Å; I270-Y309 HydrophobicContact CG2-CE1 4.04Å; I270-Y309 HydrophobicContact CG2-CE2 3.68Å; I270-Y309 HydrophobicContact CG2-CG 4.44Å; P271-Y309 HydrophobicContact CG-CD1 4.35Å; P271-Y309 HydrophobicContact CG-CE1 3.91Å; M278-Y309 WeakPolarHBondContact CG-OH 3.13Å; M278-Y309 HydrophobicContact SD-CE2 4.21Å; I294-Y309 CarbonylContact C-O 3.57Å; I294-Y309 WeakPolarHBondContact CA-O 3.13Å; I295-Y309 PolarHBondContact N-O 3.46Å; I295-Y309 PolarHBondContact O-N 3.18Å; M307-Y309 HydrophobicContact CB-CD2 4.33Å; M307-Y309 HydrophobicContact CB-CE2 3.65Å; M307-Y309 HydrophobicContact CG-CD2 3.93Å; M307-Y309 HydrophobicContact CG-CE1 4.17Å; M307-Y309 HydrophobicContact CG-CE2 3.46Å; M307-Y309 VanDerWaalsContact CG-CE2 3.46Å; M307-Y309 HydrophobicContact CG-CG 4.47Å
310	T	98.9	Very high	98.6	Very high	15 Å²	15	44.3 Å²	44.3	9%	0.092	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	153.2	178	-166.3	0	0	0	0	113.8	E34 W36 Q292 L293	E34-T310 PolarHBondContact N-O 2.75Å; E34-T310 PolarHBondContact O-N 3.35Å; W36-T310 HydrophobicContact CB-CG2 3.95Å; W36-T310 HydrophobicContact CG-CG2 4.15Å; Q292-T310 VanDerWaalsContact CG-OG1 3.25Å; Q292-T310 WeakPolarHBondContact CG-OG1 3.32Å; Q292-T310 PolarHBondContact NE2-OG1 2.87Å; L293-T310 WeakPolarHBondContact O-CA 3.4Å; L293-T310 WeakPolarHBondContact O-CB 3.4Å; L293-T310 PolarHBondContact O-OG1 3.39Å
311	V	98.9	Very high	98.6	Very high	16 Å²	16	42.3 Å²	42.3	10%	0.097	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	177.5	169.3	-66.3	0	0	0	0	109.4	I31 A33 I268 Q292 L293	I31-V311 HydrophobicContact CD1-CB 3.81Å; I31-V311 HydrophobicContact CD1-CG1 3.77Å; I31-V311 HydrophobicContact CD1-CG2 4.31Å; I31-V311 HydrophobicContact CG1-CG1 4.36Å; A33-V311 HydrophobicContact CB-CG1 3.74Å; I268-V311 HydrophobicContact CD1-CG2 3.67Å; I268-V311 HydrophobicContact CG1-CG2 4.08Å; I268-V311 HydrophobicContact CG2-CG1 3.72Å; I268-V311 HydrophobicContact CG2-CG2 4.13Å; Q292-V311 CarbonylContact C-O 3.51Å; Q292-V311 WeakPolarHBondContact CA-O 3.06Å; L293-V311 HydrophobicContact CB-CG2 4.08Å; L293-V311 HydrophobicContact CD2-CG2 4.27Å; L293-V311 PolarHBondContact N-O 3.18Å; L293-V311 PolarHBondContact O-N 3.39Å; L293-V311 VanDerWaalsContact O-N 3.16Å
312	N	98.9	Very high	98.6	Very high	100 Å²	100	38.5 Å²	38.5	54%	0.535	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	133.7	161.6	-73.7	-44.8	0	0	0	110.5	N291	N291-N312 CarbonylContact O-C 3.36Å; N291-N312 WeakPolarHBondContact O-CA 3.09Å
313	G	98.8	Very high	98.6	Very high	14 Å²	14	35.7 Å²	35.7	14%	0.144	21%	0.207	C	C	.	.			trans	-82.1	-177.9	170.4	0	0	0	0	0	113.4	Y246 N291	Y246-G313 VanDerWaalsContact OH-CA 3.25Å; Y246-G313 WeakPolarHBondContact OH-CA 3.39Å; N291-G313 PolarHBondContact ND2-O 3.33Å; N291-G313 PolarHBondContact O-N 3.16Å
314	F	98.8	Very high	98.2	Very high	89 Å²	89	36.9 Å²	36.9	39%	0.39	19%	0.194	S	C	.	.	S	Bend	trans	-69.9	-44.4	-178.2	-71.9	-74.8	0	0	0	111.3	Y246 V257 I265	Y246-F314 VanDerWaalsContact OH-CD2 3.31Å; Y246-F314 WeakPolarHBondContact OH-CD2 3.49Å; Y246-F314 PolarHBondContact OH-N 3.11Å; V257-F314 HydrophobicContact CB-CE2 4.07Å; V257-F314 HydrophobicContact CG1-CD2 3.84Å; V257-F314 HydrophobicContact CG1-CE2 3.7Å; I265-F314 HydrophobicContact CB-CZ 4.49Å; I265-F314 HydrophobicContact CD1-CD2 3.8Å; I265-F314 HydrophobicContact CD1-CE2 3.58Å; I265-F314 HydrophobicContact CD1-CG 4.42Å; I265-F314 HydrophobicContact CD1-CZ 4.01Å; I265-F314 HydrophobicContact CG1-CD2 4.49Å; I265-F314 HydrophobicContact CG1-CE2 3.81Å; I265-F314 HydrophobicContact CG1-CZ 4.13Å
315	A	98.8	Very high	98.2	Very high	11 Å²	11	37.7 Å²	37.7	9%	0.091	19%	0.193	C	C	.	.	S	Bend	trans	-130.8	178.9	176.7	0	0	0	0	0	111.8	D240 S241 D242 N291	D240-A315 HydrophobicContact CB-CB 4.19Å; D240-A315 PolarHBondContact OD2-N 2.95Å; S241-A315 WeakPolarHBondContact OG-CB 3.19Å; D242-A315 HydrophobicContact CB-CB 3.92Å; N291-A315 WeakPolarHBondContact CA-O 3.4Å; N291-A315 WeakPolarHBondContact CB-O 3.36Å
316	K	98.8	Very high	98.2	Very high	120 Å²	120	39 Å²	39	52%	0.522	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-65.6	153.5	174.5	-68.3	-175.7	174.5	-159	0	110.3	D240 S241 G289 T290	D240-K316 CarbonylContact C-O 3.5Å; D240-K316 WeakPolarHBondContact CA-O 3.46Å; D240-K316 WeakPolarHBondContact CB-O 3.33Å; S241-K316 WeakPolarHBondContact CB-O 3.39Å; S241-K316 PolarHBondContact N-O 2.86Å; S241-K316 PolarHBondContact OG-O 3.43Å; G289-K316 WeakPolarHBondContact O-CD 3.22Å; G289-K316 VanDerWaalsContact O-CE 3.32Å; G289-K316 WeakPolarHBondContact O-CE 3.37Å; G289-K316 PolarHBondContact O-NZ 3.11Å; T290-K316 CarbonylContact O-C 3.5Å; T290-K316 WeakPolarHBondContact O-CA 3.14Å
317	G	98.7	Very high	98.2	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-56.2	143.7	170	0	0	0	0	0	112.4	F286 T290	F286-G317 VanDerWaalsContact CG-CA 3.47Å; T290-G317 PolarHBondContact O-N 3.32Å
318	H	98.7	Very high	98.1	Very high	53 Å²	53	41.8 Å²	41.8	25%	0.245	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-64.7	139.3	172.3	169.7	69.8	0	0	0	111.1	I239 S320	I239-H318 HydrophobicContact CD1-CB 3.84Å; I239-H318 HydrophobicContact CG1-CB 3.88Å; H318-S320 VanDerWaalsContact C-N 3.31Å; H318-S320 PolarHBondContact O-N 3.41Å
319	Q	98.3	Very high	98.1	Very high	88 Å²	88	44.4 Å²	44.4	41%	0.411	22%	0.224	S	C	.	.			trans	-78	83.1	173.5	-66.1	-69.1	93.3	0	0	110	F323 Q324	Q319-F323 HydrophobicContact CB-CB 4.2Å; Q319-Q324 PolarHBondContact O-NE2 2.9Å
320	S	97.3	Very high	98	Very high	32 Å²	32	46.6 Å²	46.6	22%	0.224	24%	0.236	C	C	.	.			trans	-62.8	171.5	176.2	38.2	0	0	0	0	112.8	H318 Q322 F323 Q324	H318-S320 VanDerWaalsContact C-N 3.31Å; H318-S320 PolarHBondContact O-N 3.41Å; S320-Q322 VanDerWaalsContact CB-OE1 3.24Å; S320-Q322 PolarHBondContact O-N 3.14Å; S320-Q322 PolarHBondContact OG-NE2 2.93Å; S320-Q322 PolarHBondContact OG-OE1 3.04Å; S320-F323 PolarHBondContact O-N 3.14Å; S320-Q324 PolarHBondContact O-N 3.12Å
321	F	98.4	Very high	98	Very high	13 Å²	13	48.9 Å²	48.9	6%	0.057	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-49.1	-36.4	-168.3	-175.7	-119.1	0	0	0	115.5	H94 K95 F141 D142 F323 Q324	H94-F321 AromaticContact CD2-CE1 3.52Å; H94-F321 AromaticContact CE1-CE1 3.95Å; H94-F321 AromaticContact CG-CE1 3.91Å; H94-F321 AromaticContact NE2-CE1 3.54Å; K95-F321 HydrophobicContact CB-CD1 3.95Å; K95-F321 HydrophobicContact CB-CE1 3.47Å; K95-F321 VanDerWaalsContact CB-CE1 3.47Å; K95-F321 HydrophobicContact CB-CE2 4.15Å; K95-F321 HydrophobicContact CB-CG 4.48Å; K95-F321 HydrophobicContact CB-CZ 3.57Å; K95-F321 HydrophobicContact CD-CE2 4.05Å; K95-F321 HydrophobicContact CD-CZ 4.14Å; K95-F321 HydrophobicContact CG-CZ 4.41Å; F141-F321 HydrophobicContact CB-CB 3.51Å; F141-F321 HydrophobicContact CB-CD1 3.66Å; F141-F321 HydrophobicContact CB-CG 3.69Å; F141-F321 HydrophobicContact CD1-CD1 4.02Å; F141-F321 HydrophobicContact CD1-CE1 4.2Å; F141-F321 HydrophobicContact CD2-CD1 4.02Å; F141-F321 HydrophobicContact CG-CB 4.32Å; F141-F321 AromaticContact CG-CD1 3.64Å; F141-F321 HydrophobicContact CG-CD1 3.64Å; F141-F321 HydrophobicContact CG-CE1 4.28Å; F141-F321 HydrophobicContact CG-CG 4.21Å; D142-F321 WeakPolarHBondContact O-CD2 3.42Å; F321-F323 PolarHBondContact O-N 2.95Å; F321-Q324 PolarHBondContact O-N 3.36Å
322	Q	98.1	Very high	97.9	Very high	7 Å²	7	51.4 Å²	51.4	3%	0.033	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-68.8	-12.4	176.7	73.9	-80.7	30.4	0	0	114.7	F51 R53 I93 S320	F51-Q322 WeakPolarHBondContact O-CG 3.31Å; F51-Q322 PolarHBondContact O-NE2 3.09Å; R53-Q322 WeakPolarHBondContact CG-O 3.26Å; R53-Q322 PolarHBondContact NE-O 2.63Å; R53-Q322 PolarHBondContact NH1-O 2.78Å; R53-Q322 PolarHBondContact NH2-O 3.5Å; R53-Q322 VanDerWaalsContact NH2-O 3.08Å; I93-Q322 HydrophobicContact CB-CB 4.12Å; I93-Q322 HydrophobicContact CB-CG 4.31Å; I93-Q322 HydrophobicContact CG2-CB 3.9Å; I93-Q322 HydrophobicContact CG2-CG 4.42Å; I93-Q322 WeakPolarHBondContact O-CB 3.4Å; S320-Q322 VanDerWaalsContact CB-OE1 3.24Å; S320-Q322 PolarHBondContact O-N 3.14Å; S320-Q322 PolarHBondContact OG-NE2 2.93Å; S320-Q322 PolarHBondContact OG-OE1 3.04Å
323	F	97.9	Very high	97.8	Very high	40 Å²	40	47.3 Å²	47.3	18%	0.175	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-108.1	-7.5	176.9	-57.8	-68.7	0	0	0	113.7	F51 D52 P288 Q319 S320 F321	F51-F323 HydrophobicContact CB-CZ 3.94Å; F51-F323 WeakPolarHBondContact O-CZ 3.17Å; D52-F323 WeakPolarHBondContact O-CE1 3.42Å; P288-F323 HydrophobicContact CB-CE1 3.87Å; P288-F323 HydrophobicContact CB-CE2 4.43Å; P288-F323 HydrophobicContact CB-CZ 3.84Å; P288-F323 HydrophobicContact CG-CE1 3.69Å; P288-F323 HydrophobicContact CG-CE2 4.01Å; P288-F323 HydrophobicContact CG-CZ 3.27Å; Q319-F323 HydrophobicContact CB-CB 4.2Å; S320-F323 PolarHBondContact O-N 3.14Å; F321-F323 PolarHBondContact O-N 2.95Å
324	Q	91.3	Very high	97.7	Very high	93 Å²	93	50.4 Å²	50.4	44%	0.435	24%	0.242	S	C	.	.			trans	-75	0	172.6	-59.9	179.5	6.8	0	0	111.1	R53 K95 Q319 S320 F321	R53-Q324 PolarHBondContact NH1-O 2.98Å; R53-Q324 PolarHBondContact NH2-O 3.02Å; K95-Q324 WeakPolarHBondContact CE-O 3.49Å; K95-Q324 WeakPolarHBondContact CE-OXT 3.42Å; K95-Q324 PolarHBondContact NZ-OXT 2.69Å; Q319-Q324 PolarHBondContact O-NE2 2.9Å; S320-Q324 PolarHBondContact O-N 3.12Å; F321-Q324 PolarHBondContact O-N 3.36Å

Retrieved 324 of 324 residues in 580.9 ms (Link to these results)

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