A0A096NE51_PAPAN Loading...

Pirin

Transcriptional coregulator of NF-kappa-B which facilitates binding of NF-kappa-B proteins to target kappa-B genes in a redox-state-dependent manner. May be required for efficient terminal myeloid maturation of hematopoietic cells. Has quercetin 2,3-dioxygenase activity (in vitro).

AlphaFold DB (A0A2K5KX87), UniProt , Accession A0A096NE51, Species PAPAN (Papio anubis, Olive baboon), Gene PIR, Length 290 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	47.6	Very low	89.5	Confident	242 Å²	242	68.9 Å²	68.9	100%	1.192	41%	0.405	S	S	*	.				0	119.9	0	-68	174.1	-164.7	0	0	105.9
2	G	61.1	Low	90.2	Very high	54 Å²	54	70.3 Å²	70.3	56%	0.557	41%	0.409	S	S	*	.			trans	-63.5	147.6	177.7	0	0	0	0	0	110.6	D224	G2-D224 WeakPolarHBondContact CA-OD1 3.11Å; G2-D224 WeakPolarHBondContact CA-OD2 3.13Å
3	S	89.1	Confident	90.8	Very high	74 Å²	74	65 Å²	65	52%	0.517	38%	0.378	S	S	.	.			trans	-89.1	112.5	179.1	52.3	0	0	0	0	109.4	G223 D224	S3-G223 CarbonylContact O-C 2.97Å; S3-G223 WeakPolarHBondContact O-CA 3.33Å; S3-G223 WeakPolarHBondContact OG-CA 3.15Å; S3-D224 PolarHBondContact N-OD1 3.08Å; S3-D224 PolarHBondContact O-N 3.17Å
4	S	95.6	Very high	91	Very high	30 Å²	30	71.9 Å²	71.9	21%	0.21	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-76.2	130.9	178	-175.1	0	0	0	0	111.6	S225	S4-S225 WeakPolarHBondContact CA-O 3.43Å
5	K	98.5	Very high	91.4	Very high	4 Å²	4	72.9 Å²	72.9	2%	0.017	40%	0.395	C	S	.	.			trans	-63.3	140.8	179.7	-67.7	-179	-179.5	-63.8	0	111.3	I186 L220 G221 G223 S225 V226	K5-I186 HydrophobicContact CD-CD1 3.85Å; K5-L220 HydrophobicContact CB-CB 4.26Å; K5-L220 HydrophobicContact CD-CB 3.92Å; K5-L220 HydrophobicContact CD-CD1 4.28Å; K5-G221 WeakPolarHBondContact CD-O 3.41Å; K5-G221 WeakPolarHBondContact CG-O 3.5Å; K5-G221 PolarHBondContact NZ-O 3Å; K5-G223 WeakPolarHBondContact CE-O 3.31Å; K5-G223 PolarHBondContact NZ-O 2.78Å; K5-S225 WeakPolarHBondContact CB-O 3.45Å; K5-S225 WeakPolarHBondContact CG-O 3.39Å; K5-S225 PolarHBondContact N-O 3.04Å; K5-V226 HydrophobicContact CB-CB 4.28Å; K5-V226 HydrophobicContact CB-CG2 4.5Å; K5-V226 HydrophobicContact CD-CB 4.49Å
6	K	98.8	Very high	91.7	Very high	102 Å²	102	72.2 Å²	72.2	44%	0.443	39%	0.388	S	S	.	.			trans	-107	157.4	169.1	-63.2	-175.8	-176.4	-169.9	0	110.1	T8 P205 A208 G221	K6-T8 PolarHBondContact O-N 3.36Å; K6-P205 HydrophobicContact CG-CG 4.29Å; K6-A208 HydrophobicContact CD-CB 4.08Å; K6-A208 VanDerWaalsContact NZ-CB 3.3Å; K6-G221 PolarHBondContact O-N 2.8Å
7	V	98.8	Very high	92.1	Very high	23 Å²	23	72.8 Å²	72.8	14%	0.139	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	125.9	170.6	-179.4	0	0	0	0	109	I203 Q210 I212 A218 V219 L220	V7-I203 HydrophobicContact CG2-CB 3.86Å; V7-I203 HydrophobicContact CG2-CD1 4.25Å; V7-I203 HydrophobicContact CG2-CG2 3.83Å; V7-Q210 VanDerWaalsContact CG1-OE1 3.3Å; V7-I212 HydrophobicContact CG2-CD1 4.39Å; V7-A218 HydrophobicContact CG1-CB 3.88Å; V7-A218 HydrophobicContact CG2-CB 3.99Å; V7-V219 CarbonylContact C-O 3.58Å; V7-V219 WeakPolarHBondContact CA-O 3.44Å; V7-L220 HydrophobicContact CG2-CD2 4.24Å
8	T	98.6	Very high	92.3	Very high	97 Å²	97	72.2 Å²	72.2	60%	0.595	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	-24.3	178.9	53.5	0	0	0	0	112.7	K6 V219	K6-T8 PolarHBondContact O-N 3.36Å; T8-V219 PolarHBondContact N-O 3.4Å; T8-V219 PolarHBondContact OG1-O 3.44Å
9	L	98.7	Very high	92.5	Very high	75 Å²	75	70.9 Å²	70.9	39%	0.393	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	134.6	177.7	173.6	65.8	0	0	0	108.6	V11 L33 A218 V219	L9-V11 HydrophobicContact CD1-CG2 4.11Å; L9-V11 HydrophobicContact CD2-CG2 3.81Å; L9-V11 HydrophobicContact CG-CG2 3.72Å; L9-L33 HydrophobicContact CD2-CD1 4.24Å; L9-A218 CarbonylContact O-C 3.57Å; L9-A218 WeakPolarHBondContact O-CA 3.02Å; L9-V219 HydrophobicContact CB-CB 4.13Å; L9-V219 HydrophobicContact CB-CG2 4.23Å; L9-V219 HydrophobicContact CD2-CG2 4.29Å; L9-V219 PolarHBondContact O-N 3.27Å
10	S	98.7	Very high	92.6	Very high	48 Å²	48	72 Å²	72	34%	0.336	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.2	171.8	-175.9	0	0	0	0	109.6	H216 T217	S10-H216 PolarHBondContact OG-CD2 3.19Å; S10-T217 CarbonylContact C-O 3.59Å; S10-T217 WeakPolarHBondContact CA-O 3.46Å
11	V	98.7	Very high	92.5	Very high	9 Å²	9	72 Å²	72	6%	0.055	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	112.8	-174.1	-178.2	0	0	0	0	109.5	L9 S13 L33 H216 T217	L9-V11 HydrophobicContact CD1-CG2 4.11Å; L9-V11 HydrophobicContact CD2-CG2 3.81Å; L9-V11 HydrophobicContact CG-CG2 3.72Å; V11-S13 PolarHBondContact O-N 2.96Å; V11-L33 HydrophobicContact CG2-CD2 4.39Å; V11-H216 CarbonylContact O-C 3.53Å; V11-H216 WeakPolarHBondContact O-CA 3.2Å; V11-T217 PolarHBondContact N-O 3.06Å; V11-T217 PolarHBondContact O-N 2.87Å
12	L	98.8	Very high	94.7	Very high	86 Å²	86	60.8 Å²	60.8	45%	0.45	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	130.7	170	179.3	64	0	0	0	110.1	R30 H215	L12-R30 PolarHBondContact O-NH2 2.87Å; L12-H215 HydrophobicContact CD1-CB 4.23Å
13	S	98.3	Very high	96.4	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.007	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-86.2	125.9	179.9	-58	0	0	0	0	110.5	V11 R26 S27 Y195 H215	V11-S13 PolarHBondContact O-N 2.96Å; S13-R26 WeakPolarHBondContact CA-O 3.19Å; S13-R26 WeakPolarHBondContact CB-O 3.43Å; S13-S27 VanDerWaalsContact OG-CB 3.25Å; S13-S27 WeakPolarHBondContact OG-CB 3.49Å; S13-Y195 WeakPolarHBondContact OG-CE2 3.35Å; S13-H215 WeakPolarHBondContact CB-O 3.45Å; S13-H215 PolarHBondContact N-O 3.19Å; S13-H215 PolarHBondContact OG-O 2.81Å
14	R	92.6	Very high	96.8	Very high	161 Å²	161	59.4 Å²	59.4	61%	0.608	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.6	-173.6	-65.5	-171.7	-179.7	-158.6	1.7	110.2	R25 R26	R14-R25 WeakPolarHBondContact O-CA 3.35Å; R14-R26 PolarHBondContact O-N 2.98Å; R14-R26 VanDerWaalsContact O-N 3.12Å
15	E	96.9	Very high	97	Very high	88 Å²	88	61.5 Å²	61.5	41%	0.411	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	129.6	179.6	-158	-174.8	103.5	0	0	111.1	R23 V24 R25	E15-R23 HydrophobicContact CG-CB 4.02Å; E15-R23 PolarHBondContact O-NH2 2.91Å; E15-R23 IonicContact OE1-CZ 3.72Å; E15-R23 IonicContact OE1-NE 2.77Å; E15-R23 PolarHBondContact OE1-NE 3.2Å; E15-R23 IonicContact OE1-NH2 3.58Å; E15-R23 PolarHBondContact OE1-NH2 2.9Å; E15-V24 CarbonylContact C-O 3.06Å; E15-V24 VanDerWaalsContact CA-O 3.23Å; E15-V24 WeakPolarHBondContact CA-O 3.5Å; E15-R25 HydrophobicContact CB-CG 4.4Å; E15-R25 IonicContact OE2-CZ 3.43Å; E15-R25 IonicContact OE2-NH2 2.83Å; E15-R25 PolarHBondContact OE2-NH2 3.45Å
16	Q	97.5	Very high	97	Very high	61 Å²	61	63 Å²	63	29%	0.285	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	156.8	176.5	59.7	-174.8	75.3	0	0	110.3	E18 R23 V24	Q16-E18 HydrophobicContact CG-CG 4.48Å; Q16-E18 PolarHBondContact NE2-OE1 2.96Å; Q16-R23 WeakPolarHBondContact O-CA 2.97Å; Q16-V24 HydrophobicContact CG-CG2 3.7Å; Q16-V24 PolarHBondContact N-O 2.91Å; Q16-V24 PolarHBondContact O-N 3.03Å
17	S	97.5	Very high	96.8	Very high	82 Å²	82	58.1 Å²	58.1	57%	0.573	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	137.2	174	-60.3	0	0	0	0	109.5	A22 R23	S17-A22 WeakPolarHBondContact CA-O 3.49Å; S17-R23 VanDerWaalsContact N-NH1 3.15Å; S17-R23 PolarHBondContact OG-NH1 3.15Å
18	E	96.5	Very high	96.8	Very high	62 Å²	62	57 Å²	57	29%	0.29	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	162.3	173.3	-70	-67.5	170.6	0	0	108.4	Q16 V20 A22 V24 R26 F53	Q16-E18 HydrophobicContact CG-CG 4.48Å; Q16-E18 PolarHBondContact NE2-OE1 2.96Å; E18-V20 PolarHBondContact O-N 3.22Å; E18-A22 PolarHBondContact N-O 2.92Å; E18-A22 WeakPolarHBondContact O-CB 3.42Å; E18-V24 HydrophobicContact CB-CG1 4.24Å; E18-V24 HydrophobicContact CB-CG2 4.25Å; E18-V24 HydrophobicContact CG-CG1 4.33Å; E18-V24 HydrophobicContact CG-CG2 3.49Å; E18-V24 VanDerWaalsContact CG-CG2 3.49Å; E18-R26 VanDerWaalsContact CD-NH2 3.32Å; E18-R26 IonicContact OE1-CZ 3.01Å; E18-R26 VanDerWaalsContact OE1-CZ 3.26Å; E18-R26 IonicContact OE1-NH1 3.39Å; E18-R26 PolarHBondContact OE1-NH1 3.09Å; E18-R26 IonicContact OE1-NH2 2.99Å; E18-R26 PolarHBondContact OE1-NH2 2.89Å; E18-F53 HydrophobicContact CB-CE1 3.92Å
19	G	94.9	Very high	96.8	Very high	49 Å²	49	53.9 Å²	53.9	51%	0.505	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	-133.4	-177.4	0	0	0	0	0	112.4
20	V	95.2	Very high	96.7	Very high	92 Å²	92	51.1 Å²	51.1	56%	0.558	29%	0.288	S	S	*	.	B	Isolated β-bridge	trans	-123.2	111.1	177	178.5	0	0	0	0	108.9	E18 A22 G51 G52 P54	E18-V20 PolarHBondContact O-N 3.22Å; V20-A22 PolarHBondContact O-N 2.74Å; V20-G51 CarbonylContact O-C 3.37Å; V20-G51 WeakPolarHBondContact O-CA 3.36Å; V20-G52 PolarHBondContact N-O 3.02Å; V20-G52 PolarHBondContact O-N 3.16Å; V20-P54 HydrophobicContact CB-CG 4.5Å; V20-P54 HydrophobicContact CG2-CG 3.79Å
21	G	91.1	Very high	96.7	Very high	73 Å²	73	54 Å²	54	75%	0.753	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	8.2	177.7	0	0	0	0	0	115.4
22	A	93.3	Very high	96.6	Very high	6 Å²	6	58.2 Å²	58.2	5%	0.05	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	151.3	175.5	0	0	0	0	0	111.6	S17 E18 V20 F53	S17-A22 WeakPolarHBondContact CA-O 3.49Å; E18-A22 PolarHBondContact N-O 2.92Å; E18-A22 WeakPolarHBondContact O-CB 3.42Å; V20-A22 PolarHBondContact O-N 2.74Å; A22-F53 HydrophobicContact CB-CE1 4.17Å; A22-F53 HydrophobicContact CB-CE2 4.49Å; A22-F53 HydrophobicContact CB-CZ 4.02Å
23	R	96.7	Very high	96.5	Very high	97 Å²	97	54.8 Å²	54.8	37%	0.366	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.2	175.2	-62.1	-70.3	-72.8	172.7	3.7	108.6	E15 Q16 S17 K46	E15-R23 HydrophobicContact CG-CB 4.02Å; E15-R23 PolarHBondContact O-NH2 2.91Å; E15-R23 IonicContact OE1-CZ 3.72Å; E15-R23 IonicContact OE1-NE 2.77Å; E15-R23 PolarHBondContact OE1-NE 3.2Å; E15-R23 IonicContact OE1-NH2 3.58Å; E15-R23 PolarHBondContact OE1-NH2 2.9Å; Q16-R23 WeakPolarHBondContact O-CA 2.97Å; S17-R23 VanDerWaalsContact N-NH1 3.15Å; S17-R23 PolarHBondContact OG-NH1 3.15Å; R23-K46 PolarHBondContact O-N 2.66Å
24	V	97.8	Very high	96.5	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.012	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.1	177.2	-54.3	0	0	0	0	110	E15 Q16 E18 D43 E44 F45 F53	E15-V24 CarbonylContact C-O 3.06Å; E15-V24 VanDerWaalsContact CA-O 3.23Å; E15-V24 WeakPolarHBondContact CA-O 3.5Å; Q16-V24 HydrophobicContact CG-CG2 3.7Å; Q16-V24 PolarHBondContact N-O 2.91Å; Q16-V24 PolarHBondContact O-N 3.03Å; E18-V24 HydrophobicContact CB-CG1 4.24Å; E18-V24 HydrophobicContact CB-CG2 4.25Å; E18-V24 HydrophobicContact CG-CG1 4.33Å; E18-V24 HydrophobicContact CG-CG2 3.49Å; E18-V24 VanDerWaalsContact CG-CG2 3.49Å; V24-D43 HydrophobicContact CB-CB 4.1Å; V24-D43 HydrophobicContact CG1-CB 4.44Å; V24-E44 CarbonylContact C-O 3.53Å; V24-E44 WeakPolarHBondContact CA-O 3.43Å; V24-F45 HydrophobicContact CG1-CB 3.86Å; V24-F53 HydrophobicContact CG1-CE1 4.2Å; V24-F53 HydrophobicContact CG1-CZ 3.89Å
25	R	98.7	Very high	96.7	Very high	74 Å²	74	57.2 Å²	57.2	28%	0.279	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	104.7	164	-65.1	-179.4	-179.3	-77.4	-15.2	107.8	R14 E15 E44	R14-R25 WeakPolarHBondContact O-CA 3.35Å; E15-R25 HydrophobicContact CB-CG 4.4Å; E15-R25 IonicContact OE2-CZ 3.43Å; E15-R25 IonicContact OE2-NH2 2.83Å; E15-R25 PolarHBondContact OE2-NH2 3.45Å; R25-E44 HydrophobicContact CB-CB 4.33Å; R25-E44 PolarHBondContact N-O 2.87Å; R25-E44 PolarHBondContact O-N 3.17Å
26	R	98.6	Very high	96.8	Very high	35 Å²	35	54.6 Å²	54.6	13%	0.132	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.7	179.9	-171.1	157.8	-68.8	154.9	5.1	111.4	S13 R14 E18 I28 R30 D43	S13-R26 WeakPolarHBondContact CA-O 3.19Å; S13-R26 WeakPolarHBondContact CB-O 3.43Å; R14-R26 PolarHBondContact O-N 2.98Å; R14-R26 VanDerWaalsContact O-N 3.12Å; E18-R26 VanDerWaalsContact CD-NH2 3.32Å; E18-R26 IonicContact OE1-CZ 3.01Å; E18-R26 VanDerWaalsContact OE1-CZ 3.26Å; E18-R26 IonicContact OE1-NH1 3.39Å; E18-R26 PolarHBondContact OE1-NH1 3.09Å; E18-R26 IonicContact OE1-NH2 2.99Å; E18-R26 PolarHBondContact OE1-NH2 2.89Å; R26-I28 WeakPolarHBondContact CG-O 3.41Å; R26-R30 HydrophobicContact CB-CG 3.89Å; R26-R30 HydrophobicContact CG-CG 3.72Å; R26-R30 WeakPolarHBondContact O-CD 3.39Å; R26-R30 WeakPolarHBondContact O-CG 3.48Å; R26-R30 PolarHBondContact O-NE 3Å; R26-D43 WeakPolarHBondContact CA-OD1 3.47Å; R26-D43 WeakPolarHBondContact CB-OD1 3.49Å; R26-D43 WeakPolarHBondContact CG-OD1 3.2Å; R26-D43 IonicContact CZ-OD1 3.19Å; R26-D43 IonicContact CZ-OD2 3.01Å; R26-D43 IonicContact NE-OD1 3.18Å; R26-D43 PolarHBondContact NE-OD1 2.98Å; R26-D43 IonicContact NE-OD2 3.87Å; R26-D43 PolarHBondContact NE-OD2 3.27Å; R26-D43 IonicContact NH2-OD1 2.78Å; R26-D43 IonicContact NH2-OD2 3.81Å; R26-D43 PolarHBondContact NH2-OD2 3.13Å
27	S	95.7	Very high	96.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.31	C	S	.	.			trans	-110.5	-84.9	172.6	-169.4	0	0	0	0	112.3	S13 R30 F42 T217	S13-S27 VanDerWaalsContact OG-CB 3.25Å; S13-S27 WeakPolarHBondContact OG-CB 3.49Å; S27-R30 WeakPolarHBondContact O-CB 3.36Å; S27-R30 WeakPolarHBondContact O-CG 3.33Å; S27-R30 PolarHBondContact O-N 3.18Å; S27-F42 PolarHBondContact N-O 2.86Å; S27-T217 WeakPolarHBondContact CB-OG1 3.44Å; S27-T217 WeakPolarHBondContact OG-CB 3.36Å; S27-T217 PolarHBondContact OG-OG1 3.02Å
28	I	98.6	Very high	96.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	137.6	170.8	-56.2	174.2	0	0	0	107	R26 L33 L36 F39 L41 F42 F193	R26-I28 WeakPolarHBondContact CG-O 3.41Å; I28-L33 WeakPolarHBondContact CA-O 3.48Å; I28-L33 HydrophobicContact CG1-CD2 3.86Å; I28-L33 HydrophobicContact CG1-CG 4.36Å; I28-L36 HydrophobicContact CD1-CB 4.21Å; I28-L36 HydrophobicContact CD1-CD2 4.48Å; I28-L36 HydrophobicContact CG2-CB 4.44Å; I28-F39 HydrophobicContact CD1-CB 3.82Å; I28-L41 WeakPolarHBondContact O-CA 2.75Å; I28-F42 HydrophobicContact CB-CB 4.08Å; I28-F42 HydrophobicContact CD1-CB 4.23Å; I28-F42 HydrophobicContact CG1-CB 4.2Å; I28-F42 PolarHBondContact O-N 2.91Å; I28-F42 VanDerWaalsContact O-N 3.11Å; I28-F193 HydrophobicContact CD1-CD1 3.93Å; I28-F193 HydrophobicContact CD1-CE1 3.48Å; I28-F193 VanDerWaalsContact CD1-CE1 3.48Å; I28-F193 HydrophobicContact CD1-CE2 4.14Å; I28-F193 HydrophobicContact CD1-CG 4.43Å; I28-F193 HydrophobicContact CD1-CZ 3.59Å
29	G	97.8	Very high	97.1	Very high	31 Å²	31	46.7 Å²	46.7	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.3	-8.3	-171.1	0	0	0	0	0	113.8	L33 K34	G29-L33 PolarHBondContact N-O 2.99Å; G29-K34 VanDerWaalsContact CA-O 3.28Å; G29-K34 WeakPolarHBondContact CA-O 3.46Å; G29-K34 PolarHBondContact N-O 2.79Å
30	R	97.6	Very high	97.2	Very high	17 Å²	17	44.5 Å²	44.5	6%	0.064	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-79.7	159.7	173.2	-64.5	-149.8	-56.7	114.4	2.5	111.9	L12 R26 S27 E32 L33 K34	L12-R30 PolarHBondContact O-NH2 2.87Å; R26-R30 HydrophobicContact CB-CG 3.89Å; R26-R30 HydrophobicContact CG-CG 3.72Å; R26-R30 WeakPolarHBondContact O-CD 3.39Å; R26-R30 WeakPolarHBondContact O-CG 3.48Å; R26-R30 PolarHBondContact O-NE 3Å; S27-R30 WeakPolarHBondContact O-CB 3.36Å; S27-R30 WeakPolarHBondContact O-CG 3.33Å; S27-R30 PolarHBondContact O-N 3.18Å; R30-E32 WeakPolarHBondContact CB-OE2 3.25Å; R30-E32 IonicContact CZ-OE1 3.9Å; R30-E32 IonicContact CZ-OE2 3.82Å; R30-E32 IonicContact NH1-OE1 3.49Å; R30-E32 PolarHBondContact NH1-OE1 2.89Å; R30-E32 IonicContact NH1-OE2 2.92Å; R30-E32 PolarHBondContact NH1-OE2 3.16Å; R30-E32 IonicContact NH2-OE1 2.71Å; R30-E32 IonicContact NH2-OE2 3.9Å; R30-E32 PolarHBondContact O-N 3.36Å; R30-E32 VanDerWaalsContact O-N 3.08Å; R30-L33 CarbonylContact O-C 3.5Å; R30-L33 PolarHBondContact O-N 2.91Å; R30-K34 WeakPolarHBondContact O-CA 3.35Å; R30-K34 PolarHBondContact O-N 3Å
31	P	97.7	Very high	97.4	Very high	107 Å²	107	40.6 Å²	40.6	70%	0.695	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.4	178.9	-29.4	36.7	0	0	0	115.1
32	E	97.2	Very high	97.8	Very high	99 Å²	99	37.1 Å²	37.1	46%	0.463	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-18.2	-179.9	-51.6	92.1	143.1	0	0	113.2	R30	R30-E32 WeakPolarHBondContact CB-OE2 3.25Å; R30-E32 IonicContact CZ-OE1 3.9Å; R30-E32 IonicContact CZ-OE2 3.82Å; R30-E32 IonicContact NH1-OE1 3.49Å; R30-E32 PolarHBondContact NH1-OE1 2.89Å; R30-E32 IonicContact NH1-OE2 2.92Å; R30-E32 PolarHBondContact NH1-OE2 3.16Å; R30-E32 IonicContact NH2-OE1 2.71Å; R30-E32 IonicContact NH2-OE2 3.9Å; R30-E32 PolarHBondContact O-N 3.36Å; R30-E32 VanDerWaalsContact O-N 3.08Å
33	L	97.5	Very high	98	Very high	14 Å²	14	37.2 Å²	37.2	7%	0.073	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-150	62.5	-178.4	-166.7	61.9	0	0	0	110.1	L9 V11 I28 G29 R30 N35 L36 T217 V219	L9-L33 HydrophobicContact CD2-CD1 4.24Å; V11-L33 HydrophobicContact CG2-CD2 4.39Å; I28-L33 WeakPolarHBondContact CA-O 3.48Å; I28-L33 HydrophobicContact CG1-CD2 3.86Å; I28-L33 HydrophobicContact CG1-CG 4.36Å; G29-L33 PolarHBondContact N-O 2.99Å; R30-L33 CarbonylContact O-C 3.5Å; R30-L33 PolarHBondContact O-N 2.91Å; L33-N35 VanDerWaalsContact C-N 3.28Å; L33-N35 PolarHBondContact O-N 3.37Å; L33-L36 HydrophobicContact CD1-CD1 4.12Å; L33-T217 HydrophobicContact CD2-CG2 4.04Å; L33-V219 HydrophobicContact CD1-CG2 4.41Å; L33-V219 HydrophobicContact CD2-CG2 4.18Å
34	K	97.2	Very high	98.2	Very high	145 Å²	145	33.1 Å²	33.1	63%	0.63	17%	0.17	S	C	*	.	S	Bend	trans	-57.6	-38.9	-167.8	-69.9	-179.3	-178.5	169.4	0	113.7	G29 R30	G29-K34 VanDerWaalsContact CA-O 3.28Å; G29-K34 WeakPolarHBondContact CA-O 3.46Å; G29-K34 PolarHBondContact N-O 2.79Å; R30-K34 WeakPolarHBondContact O-CA 3.35Å; R30-K34 PolarHBondContact O-N 3Å
35	N	97.6	Very high	98.2	Very high	68 Å²	68	33.5 Å²	33.5	36%	0.364	17%	0.172	S	C	.	.			trans	-156.5	164.8	169.6	56.1	23.2	0	0	0	107.4	L33	L33-N35 VanDerWaalsContact C-N 3.28Å; L33-N35 PolarHBondContact O-N 3.37Å
36	L	98.6	Very high	98.1	Very high	32 Å²	32	36.3 Å²	36.3	17%	0.168	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-143.2	77.3	177.2	-166.7	72.4	0	0	0	107.6	I28 L33 F39 T191 F193 V219	I28-L36 HydrophobicContact CD1-CB 4.21Å; I28-L36 HydrophobicContact CD1-CD2 4.48Å; I28-L36 HydrophobicContact CG2-CB 4.44Å; L33-L36 HydrophobicContact CD1-CD1 4.12Å; L36-F39 CarbonylContact C-O 3.58Å; L36-F39 PolarHBondContact N-O 2.92Å; L36-F39 WeakPolarHBondContact O-CB 3.39Å; L36-F39 WeakPolarHBondContact O-CD2 3.37Å; L36-F39 PolarHBondContact O-N 2.89Å; L36-T191 HydrophobicContact CB-CG2 4.39Å; L36-T191 HydrophobicContact CD1-CG2 4.39Å; L36-T191 HydrophobicContact CD2-CG2 3.56Å; L36-T191 HydrophobicContact CG-CG2 3.45Å; L36-T191 VanDerWaalsContact CG-CG2 3.45Å; L36-F193 HydrophobicContact CD2-CB 4.44Å; L36-F193 HydrophobicContact CD2-CD1 4.2Å; L36-V219 HydrophobicContact CD1-CG1 4.4Å; L36-V219 HydrophobicContact CD2-CG1 4.21Å; L36-V219 HydrophobicContact CD2-CG2 4.22Å
37	D	98.8	Very high	98	Very high	39 Å²	39	35.4 Å²	35.4	21%	0.209	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.3	117.4	-172.3	-179.2	20.5	0	0	0	112.1	T191 P245 L246 R247	D37-T191 WeakPolarHBondContact O-CB 3.47Å; D37-T191 PolarHBondContact O-OG1 2.7Å; D37-P245 HydrophobicContact CB-CB 4.37Å; D37-P245 WeakPolarHBondContact OD2-CB 3.4Å; D37-L246 VanDerWaalsContact CG-N 3.34Å; D37-L246 PolarHBondContact OD1-N 3.44Å; D37-L246 PolarHBondContact OD2-N 2.87Å; D37-L246 VanDerWaalsContact OD2-N 3.13Å; D37-R247 PolarHBondContact OD2-N 3.1Å
38	P	98.8	Very high	98.1	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.006	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.7	6.7	15.7	37.4	-37.5	0	0	0	116.8	N119 T167 E244 L246	P38-N119 VanDerWaalsContact O-CB 3.26Å; P38-N119 WeakPolarHBondContact O-CB 2.98Å; P38-N119 PolarHBondContact O-N 2.95Å; P38-T167 HydrophobicContact CB-CG2 3.57Å; P38-T167 HydrophobicContact CG-CG2 3.87Å; P38-E244 WeakPolarHBondContact CB-O 3.27Å; P38-E244 WeakPolarHBondContact CG-O 3.22Å; P38-L246 HydrophobicContact CB-CG 4.23Å
39	F	98.9	Very high	98.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	131.3	-172.9	-50.4	-60.8	0	0	0	112.1	I28 L36 L116 V118 T169 T191 F193 I241	I28-F39 HydrophobicContact CD1-CB 3.82Å; L36-F39 CarbonylContact C-O 3.58Å; L36-F39 PolarHBondContact N-O 2.92Å; L36-F39 WeakPolarHBondContact O-CB 3.39Å; L36-F39 WeakPolarHBondContact O-CD2 3.37Å; L36-F39 PolarHBondContact O-N 2.89Å; F39-L116 HydrophobicContact CB-CD1 4.28Å; F39-L116 HydrophobicContact CD1-CD1 3.79Å; F39-L116 HydrophobicContact CD1-CD2 4.1Å; F39-L116 HydrophobicContact CD1-CG 4.28Å; F39-L116 HydrophobicContact CE1-CD2 4.11Å; F39-L116 HydrophobicContact CG-CD1 4.24Å; F39-V118 HydrophobicContact CD1-CG2 4.25Å; F39-V118 HydrophobicContact CE1-CG2 4.31Å; F39-T169 HydrophobicContact CE1-CG2 4.09Å; F39-T169 HydrophobicContact CZ-CG2 4.41Å; F39-T191 HydrophobicContact CD2-CG2 3.95Å; F39-T191 HydrophobicContact CE2-CG2 3.95Å; F39-F193 HydrophobicContact CD2-CD1 4.09Å; F39-F193 AromaticContact CD2-CE1 3.64Å; F39-F193 HydrophobicContact CD2-CE1 3.64Å; F39-F193 HydrophobicContact CE2-CD1 4.26Å; F39-F193 AromaticContact CE2-CE1 3.94Å; F39-F193 HydrophobicContact CE2-CE1 3.94Å; F39-F193 HydrophobicContact CG-CE1 4.03Å; F39-I241 HydrophobicContact CD1-CG2 4.34Å; F39-I241 HydrophobicContact CE1-CG2 3.66Å; F39-I241 HydrophobicContact CE2-CG2 3.99Å; F39-I241 HydrophobicContact CZ-CG2 3.46Å; F39-I241 VanDerWaalsContact CZ-CG2 3.46Å
40	L	98.9	Very high	98.1	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-37.6	-173.8	-59.4	168.3	0	0	0	112.2	F61 W117 N119 V250 V257	L40-F61 HydrophobicContact CD1-CB 3.74Å; L40-F61 HydrophobicContact CD1-CD1 4.41Å; L40-F61 HydrophobicContact CD1-CD2 4.38Å; L40-F61 HydrophobicContact CD1-CG 3.95Å; L40-W117 HydrophobicContact CB-CB 3.89Å; L40-W117 HydrophobicContact CB-CE3 4.47Å; L40-W117 HydrophobicContact CD1-CB 4.48Å; L40-W117 PolarHBondContact N-O 2.97Å; L40-N119 HydrophobicContact CD1-CB 3.73Å; L40-N119 HydrophobicContact CD2-CB 3.97Å; L40-N119 HydrophobicContact CG-CB 3.83Å; L40-V250 HydrophobicContact CD2-CG1 3.7Å; L40-V257 HydrophobicContact CD1-CB 4.12Å; L40-V257 HydrophobicContact CD1-CG1 3.81Å; L40-V257 HydrophobicContact CD1-CG2 4.07Å; L40-V257 HydrophobicContact CD2-CG1 3.95Å
41	L	98.8	Very high	98	Very high	10 Å²	10	48 Å²	48	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	144.5	-176	179.1	152.8	0	0	0	109.2	I28 D43 W117	I28-L41 WeakPolarHBondContact O-CA 2.75Å; L41-D43 HydrophobicContact CD2-CB 4.04Å; L41-W117 HydrophobicContact CB-CB 3.98Å; L41-W117 HydrophobicContact CB-CD2 3.85Å; L41-W117 HydrophobicContact CB-CE3 4Å; L41-W117 HydrophobicContact CB-CG 3.86Å; L41-W117 HydrophobicContact CD1-CD2 4.33Å; L41-W117 HydrophobicContact CD1-CE3 4.41Å; L41-W117 HydrophobicContact CD1-CH2 4.45Å; L41-W117 HydrophobicContact CD1-CZ2 4.34Å; L41-W117 HydrophobicContact CD1-CZ3 4.48Å; L41-W117 HydrophobicContact CD2-CG 4.38Å; L41-W117 HydrophobicContact CG-CD2 4.46Å; L41-W117 PolarHBondContact O-N 2.81Å
42	F	98.9	Very high	98	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	115.7	169.3	-172.1	-105.8	0	0	0	110	S27 I28 L114 Q115 L116 F193 Y195 V239 I241	S27-F42 PolarHBondContact N-O 2.86Å; I28-F42 HydrophobicContact CB-CB 4.08Å; I28-F42 HydrophobicContact CD1-CB 4.23Å; I28-F42 HydrophobicContact CG1-CB 4.2Å; I28-F42 PolarHBondContact O-N 2.91Å; I28-F42 VanDerWaalsContact O-N 3.11Å; F42-L114 HydrophobicContact CE1-CD2 4.47Å; F42-L114 HydrophobicContact CE2-CB 4.24Å; F42-L114 HydrophobicContact CZ-CB 4.12Å; F42-L114 HydrophobicContact CZ-CD1 4.17Å; F42-L114 HydrophobicContact CZ-CD2 4.08Å; F42-L114 HydrophobicContact CZ-CG 4.35Å; F42-Q115 WeakPolarHBondContact CA-O 3.49Å; F42-L116 HydrophobicContact CB-CD1 4.22Å; F42-L116 HydrophobicContact CD2-CB 3.8Å; F42-L116 HydrophobicContact CD2-CD1 3.64Å; F42-L116 HydrophobicContact CD2-CG 4.31Å; F42-L116 HydrophobicContact CE2-CB 4.16Å; F42-L116 HydrophobicContact CE2-CD1 4.48Å; F42-L116 HydrophobicContact CG-CD1 4.34Å; F42-F193 HydrophobicContact CD1-CE2 4.15Å; F42-F193 HydrophobicContact CD2-CZ 4.42Å; F42-F193 HydrophobicContact CE1-CE2 4.47Å; F42-F193 HydrophobicContact CG-CE2 4.25Å; F42-F193 HydrophobicContact CG-CZ 4.25Å; F42-Y195 HydrophobicContact CD1-CD2 4.3Å; F42-Y195 HydrophobicContact CD1-CG 4.16Å; F42-Y195 AromaticContact CE1-CD1 3.62Å; F42-Y195 HydrophobicContact CE1-CD1 3.62Å; F42-Y195 AromaticContact CE1-CD2 3.99Å; F42-Y195 HydrophobicContact CE1-CD2 3.99Å; F42-Y195 HydrophobicContact CE1-CE1 4.28Å; F42-Y195 AromaticContact CE1-CG 3.43Å; F42-Y195 HydrophobicContact CE1-CG 3.43Å; F42-Y195 VanDerWaalsContact CE1-CG 3.43Å; F42-Y195 HydrophobicContact CZ-CD1 4.32Å; F42-Y195 HydrophobicContact CZ-CG 4.38Å; F42-V239 HydrophobicContact CZ-CG2 3.92Å; F42-I241 HydrophobicContact CD2-CD1 4.14Å; F42-I241 HydrophobicContact CE2-CD1 3.6Å; F42-I241 HydrophobicContact CZ-CD1 3.99Å
43	D	98.8	Very high	98	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.043	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136	-178.4	-79	-12.8	0	0	0	110.5	V24 R26 L41 L114 Q115	V24-D43 HydrophobicContact CB-CB 4.1Å; V24-D43 HydrophobicContact CG1-CB 4.44Å; R26-D43 WeakPolarHBondContact CA-OD1 3.47Å; R26-D43 WeakPolarHBondContact CB-OD1 3.49Å; R26-D43 WeakPolarHBondContact CG-OD1 3.2Å; R26-D43 IonicContact CZ-OD1 3.19Å; R26-D43 IonicContact CZ-OD2 3.01Å; R26-D43 IonicContact NE-OD1 3.18Å; R26-D43 PolarHBondContact NE-OD1 2.98Å; R26-D43 IonicContact NE-OD2 3.87Å; R26-D43 PolarHBondContact NE-OD2 3.27Å; R26-D43 IonicContact NH2-OD1 2.78Å; R26-D43 IonicContact NH2-OD2 3.81Å; R26-D43 PolarHBondContact NH2-OD2 3.13Å; L41-D43 HydrophobicContact CD2-CB 4.04Å; D43-L114 CarbonylContact O-C 3.55Å; D43-L114 WeakPolarHBondContact O-CA 3.32Å; D43-Q115 PolarHBondContact N-O 3.45Å; D43-Q115 PolarHBondContact O-N 3.1Å
44	E	98.9	Very high	98.1	Very high	12 Å²	12	40.1 Å²	40.1	6%	0.056	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.6	157.7	175.3	-173.6	-168.8	0	0	108.1	V24 R25 H112 G113 L114 Y195 H215	V24-E44 CarbonylContact C-O 3.53Å; V24-E44 WeakPolarHBondContact CA-O 3.43Å; R25-E44 HydrophobicContact CB-CB 4.33Å; R25-E44 PolarHBondContact N-O 2.87Å; R25-E44 PolarHBondContact O-N 3.17Å; E44-H112 IonicContact OE1-CD2 3.78Å; E44-H112 IonicContact OE1-CE1 3.79Å; E44-H112 PolarHBondContact OE1-CE1 2.94Å; E44-H112 IonicContact OE1-NE2 2.83Å; E44-H112 PolarHBondContact OE1-NE2 2.8Å; E44-G113 CarbonylContact C-O 3.55Å; E44-G113 WeakPolarHBondContact CA-O 3.47Å; E44-L114 HydrophobicContact CB-CD2 3.78Å; E44-L114 HydrophobicContact CG-CD2 3.97Å; E44-Y195 HydrophobicContact CB-CE1 3.87Å; E44-Y195 HydrophobicContact CG-CE1 4.38Å; E44-Y195 WeakPolarHBondContact OE2-CE1 3.39Å; E44-Y195 PolarHBondContact OE2-OH 3.44Å; E44-H215 IonicContact OE1-CE1 3.16Å; E44-H215 IonicContact OE1-ND1 3.26Å; E44-H215 IonicContact OE2-CE1 2.79Å; E44-H215 IonicContact OE2-ND1 2.81Å; E44-H215 PolarHBondContact OE2-ND1 3.35Å
45	F	98.4	Very high	98.2	Very high	10 Å²	10	35.1 Å²	35.1	4%	0.044	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144.6	179.1	74.6	-93.3	0	0	0	111.3	V24 F53 L67 M73 A111 H112 G113	V24-F45 HydrophobicContact CG1-CB 3.86Å; F45-F53 HydrophobicContact CB-CZ 4.33Å; F45-F53 HydrophobicContact CG-CE2 4.48Å; F45-L67 HydrophobicContact CE2-CD1 4.47Å; F45-L67 HydrophobicContact CZ-CD1 3.69Å; F45-M73 HydrophobicContact CE2-CE 4.19Å; F45-M73 HydrophobicContact CE2-CG 4.08Å; F45-M73 HydrophobicContact CE2-SD 3.79Å; F45-M73 HydrophobicContact CZ-CE 4.28Å; F45-M73 HydrophobicContact CZ-CG 3.97Å; F45-M73 HydrophobicContact CZ-SD 4.18Å; F45-A111 HydrophobicContact CE2-CB 3.93Å; F45-H112 WeakPolarHBondContact O-CA 3.4Å; F45-H112 PolarHBondContact O-CD2 2.57Å; F45-G113 VanDerWaalsContact CD1-C 3.42Å; F45-G113 VanDerWaalsContact CD1-O 3.3Å; F45-G113 WeakPolarHBondContact CD1-O 3.38Å; F45-G113 PolarHBondContact N-O 3.08Å; F45-G113 PolarHBondContact O-N 3.28Å
46	K	97.6	Very high	98.2	Very high	133 Å²	133	33.8 Å²	33.8	58%	0.578	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	120.2	167.2	-167.5	169.8	-175.8	168.1	0	109.7	R23 A111 H112	R23-K46 PolarHBondContact O-N 2.66Å; K46-A111 VanDerWaalsContact CA-O 3.28Å; K46-A111 WeakPolarHBondContact CA-O 3.46Å; K46-H112 HydrophobicContact CG-CB 4.38Å
47	G	96.9	Very high	98.2	Very high	15 Å²	15	33 Å²	33	16%	0.155	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	152.9	-172.8	0	0	0	0	0	112.8	P105 P110 A111	G47-P105 WeakPolarHBondContact O-CG 3.33Å; G47-P110 CarbonylContact O-C 3.6Å; G47-P110 VanDerWaalsContact O-CA 3.3Å; G47-P110 WeakPolarHBondContact O-CA 3.39Å; G47-A111 PolarHBondContact N-O 2.92Å; G47-A111 PolarHBondContact O-N 2.84Å
48	G	97.5	Very high	98.2	Very high	22 Å²	22	31.3 Å²	31.3	23%	0.227	17%	0.167	C	C	.	.			trans	-128.1	177.8	179.1	0	0	0	0	0	111.8	G51	G48-G51 PolarHBondContact O-N 3.4Å
49	R	97.8	Very high	98.2	Very high	152 Å²	152	31.4 Å²	31.4	57%	0.574	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	148.2	175.7	-64.5	174.7	68.1	-146.2	-0.8	111.1	P105 S107 E108	R49-P105 HydrophobicContact CG-CB 4.49Å; R49-P105 WeakPolarHBondContact CG-O 3.44Å; R49-S107 WeakPolarHBondContact CD-O 3.45Å; R49-E108 IonicContact NH1-OE1 3.59Å; R49-E108 PolarHBondContact NH1-OE1 2.89Å
50	P	96.8	Very high	98.2	Very high	130 Å²	130	31.4 Å²	31.4	84%	0.844	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.5	6.6	0.3	37.6	-36.3	0	0	0	113.9
51	G	95.6	Very high	98.2	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	17%	0.167	C	C	.	.			trans	-77.1	173	-179.2	0	0	0	0	0	113.3	V20 G48 P105	V20-G51 CarbonylContact O-C 3.37Å; V20-G51 WeakPolarHBondContact O-CA 3.36Å; G48-G51 PolarHBondContact O-N 3.4Å; G51-P105 VanDerWaalsContact O-CD 3.23Å; G51-P105 WeakPolarHBondContact O-CD 3.25Å
52	G	97.8	Very high	98.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.01	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	160.5	-156.3	178.7	0	0	0	0	0	112.6	V20 P54	V20-G52 PolarHBondContact N-O 3.02Å; V20-G52 PolarHBondContact O-N 3.16Å; G52-P54 WeakPolarHBondContact O-CD 3.47Å
53	F	98.6	Very high	98.2	Very high	23 Å²	23	30.9 Å²	30.9	10%	0.101	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	86.4	177.3	-50.8	-82.8	0	0	0	109.1	E18 A22 V24 F45 M73 A102 E103 M104	E18-F53 HydrophobicContact CB-CE1 3.92Å; A22-F53 HydrophobicContact CB-CE1 4.17Å; A22-F53 HydrophobicContact CB-CE2 4.49Å; A22-F53 HydrophobicContact CB-CZ 4.02Å; V24-F53 HydrophobicContact CG1-CE1 4.2Å; V24-F53 HydrophobicContact CG1-CZ 3.89Å; F45-F53 HydrophobicContact CB-CZ 4.33Å; F45-F53 HydrophobicContact CG-CE2 4.48Å; F53-M73 HydrophobicContact CD2-CE 4.39Å; F53-A102 CarbonylContact O-C 3.57Å; F53-A102 WeakPolarHBondContact O-CA 3.18Å; F53-E103 HydrophobicContact CB-CB 4.28Å; F53-E103 WeakPolarHBondContact CB-O 3.43Å; F53-E103 HydrophobicContact CD2-CB 4.4Å; F53-E103 PolarHBondContact N-O 2.82Å; F53-E103 PolarHBondContact O-N 2.84Å; F53-M104 PolarHBondContact N-SD 2.79Å; F53-M104 VanDerWaalsContact N-SD 3.4Å
54	P	98.6	Very high	98.2	Very high	32 Å²	32	30.5 Å²	30.5	21%	0.208	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-177.1	-177.5	32.3	-37.9	0	0	0	111.4	V20 G52 H56 M104	V20-P54 HydrophobicContact CB-CG 4.5Å; V20-P54 HydrophobicContact CG2-CG 3.79Å; G52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-H56 PolarHBondContact O-N 3.27Å; P54-H56 PolarHBondContact O-ND1 3.13Å; P54-M104 HydrophobicContact CB-SD 4.41Å
55	D	98.7	Very high	98.2	Very high	39 Å²	39	30.1 Å²	30.1	21%	0.209	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-36.7	105.4	-176.2	-59.9	8.3	0	0	0	114.2	L100 H101 W284 K285 S286	D55-L100 HydrophobicContact CB-CD1 4.41Å; D55-H101 CarbonylContact C-O 3.58Å; D55-H101 WeakPolarHBondContact CA-O 3.42Å; D55-W284 HydrophobicContact CB-CZ3 3.89Å; D55-W284 VanDerWaalsContact CG-CZ3 3.45Å; D55-K285 WeakPolarHBondContact OD2-CA 3.49Å; D55-S286 WeakPolarHBondContact OD1-CB 3.4Å; D55-S286 PolarHBondContact OD1-N 2.83Å; D55-S286 PolarHBondContact OD1-OG 2.79Å; D55-S286 PolarHBondContact OD2-N 3.23Å; D55-S286 VanDerWaalsContact OD2-N 3.12Å
56	H	98.8	Very high	98.3	Very high	41 Å²	41	30 Å²	30	19%	0.19	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.9	178.7	66.2	-81.4	0	0	0	111.9	P54 H58 L100 H101 E103	P54-H56 PolarHBondContact O-N 3.27Å; P54-H56 PolarHBondContact O-ND1 3.13Å; H56-H58 AromaticContact CD2-CD2 3.95Å; H56-H58 AromaticContact CD2-CE1 3.62Å; H56-H58 AromaticContact CD2-NE2 3.13Å; H56-H58 PolarHBondContact CD2-NE2 3.11Å; H56-H58 AromaticContact NE2-CD2 3.95Å; H56-H58 AromaticContact NE2-CE1 3.74Å; H56-H58 AromaticContact NE2-NE2 2.98Å; H56-H58 PolarHBondContact NE2-NE2 2.85Å; H56-L100 VanDerWaalsContact C-CD1 3.42Å; H56-L100 WeakPolarHBondContact O-CD1 3.23Å; H56-H101 AromaticContact CE1-CD2 3.67Å; H56-H101 AromaticContact CE1-NE2 3.51Å; H56-H101 PolarHBondContact N-O 3.26Å; H56-H101 PolarHBondContact ND1-O 3.26Å; H56-H101 AromaticContact NE2-CD2 3.67Å; H56-H101 AromaticContact NE2-NE2 3.22Å; H56-H101 PolarHBondContact NE2-NE2 3.3Å; H56-H101 PolarHBondContact O-N 2.89Å; H56-H101 VanDerWaalsContact O-N 3.09Å; H56-E103 IonicContact CE1-OE2 3.32Å; H56-E103 IonicContact NE2-OE2 3.98Å
57	P	98.8	Very high	98.3	Very high	15 Å²	15	23.7 Å²	23.7	10%	0.097	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	166.4	-177.5	36.3	-34.8	0	0	0	112.8	I99 L100 P255 F256 F271 F278	P57-I99 CarbonylContact C-O 3.51Å; P57-I99 WeakPolarHBondContact CA-O 3.17Å; P57-L100 HydrophobicContact CB-CD1 4.44Å; P57-P255 HydrophobicContact CG-CB 4.11Å; P57-P255 HydrophobicContact CG-CG 3.83Å; P57-P255 WeakPolarHBondContact O-CB 3.4Å; P57-F256 HydrophobicContact CB-CE1 4.07Å; P57-F256 HydrophobicContact CB-CZ 4.4Å; P57-F256 HydrophobicContact CG-CE1 4.04Å; P57-F256 HydrophobicContact CG-CZ 4.02Å; P57-F271 HydrophobicContact CB-CD2 3.9Å; P57-F271 HydrophobicContact CB-CE2 3.67Å; P57-F271 HydrophobicContact CB-CZ 4.13Å; P57-F271 HydrophobicContact CG-CD1 4.42Å; P57-F271 HydrophobicContact CG-CD2 4.21Å; P57-F271 HydrophobicContact CG-CE1 4.09Å; P57-F271 HydrophobicContact CG-CE2 3.88Å; P57-F271 HydrophobicContact CG-CG 4.48Å; P57-F271 HydrophobicContact CG-CZ 3.81Å; P57-F278 HydrophobicContact CB-CE1 4Å; P57-F278 HydrophobicContact CB-CZ 4.3Å
58	H	98.9	Very high	98.4	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	147.6	163.5	-65.6	-67.7	0	0	0	110.8	H56 F61 A95 G98 I99 H101 W117 P255	H56-H58 AromaticContact CD2-CD2 3.95Å; H56-H58 AromaticContact CD2-CE1 3.62Å; H56-H58 AromaticContact CD2-NE2 3.13Å; H56-H58 PolarHBondContact CD2-NE2 3.11Å; H56-H58 AromaticContact NE2-CD2 3.95Å; H56-H58 AromaticContact NE2-CE1 3.74Å; H56-H58 AromaticContact NE2-NE2 2.98Å; H56-H58 PolarHBondContact NE2-NE2 2.85Å; H58-F61 HydrophobicContact CB-CZ 4.07Å; H58-F61 AromaticContact CG-CZ 4Å; H58-F61 AromaticContact ND1-CE2 3.82Å; H58-F61 AromaticContact ND1-CZ 3.31Å; H58-F61 VanDerWaalsContact ND1-CZ 3.31Å; H58-F61 WeakPolarHBondContact ND1-CZ 3.23Å; H58-A95 HydrophobicContact CB-CB 3.73Å; H58-G98 WeakPolarHBondContact O-CA 3.19Å; H58-I99 PolarHBondContact N-O 2.86Å; H58-I99 PolarHBondContact O-N 3.48Å; H58-I99 VanDerWaalsContact O-N 3.08Å; H58-H101 AromaticContact CD2-CD2 3.96Å; H58-H101 AromaticContact CD2-NE2 3.31Å; H58-H101 PolarHBondContact CD2-NE2 3.21Å; H58-H101 VanDerWaalsContact CD2-NE2 3.31Å; H58-H101 AromaticContact NE2-NE2 3.33Å; H58-H101 PolarHBondContact NE2-NE2 2.87Å; H58-W117 AromaticContact CE1-CZ2 3.51Å; H58-W117 AromaticContact ND1-CZ2 3.91Å; H58-P255 WeakPolarHBondContact CA-O 3.39Å
59	R	98.9	Very high	98.5	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.015	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-149.9	138.8	170.3	176.2	178.7	-76.8	-167	-4.7	112	F61 G96 R97 M126 P255 F256 V257 M258 D270 N276 F278	R59-F61 WeakPolarHBondContact O-CD1 3.4Å; R59-F61 WeakPolarHBondContact O-CE1 3.33Å; R59-G96 WeakPolarHBondContact CA-O 3.4Å; R59-G96 WeakPolarHBondContact CG-O 3.49Å; R59-R97 PolarHBondContact NE-O 3.25Å; R59-R97 PolarHBondContact NH2-O 3.1Å; R59-M126 HydrophobicContact CG-SD 4.47Å; R59-P255 PolarHBondContact N-O 3.01Å; R59-F256 HydrophobicContact CB-CD1 3.8Å; R59-F256 HydrophobicContact CB-CE1 4.39Å; R59-V257 PolarHBondContact O-N 2.86Å; R59-V257 VanDerWaalsContact O-N 3.16Å; R59-M258 HydrophobicContact CG-SD 3.94Å; R59-D270 IonicContact CZ-OD2 2.81Å; R59-D270 IonicContact NH1-OD2 3.44Å; R59-D270 PolarHBondContact NH1-OD2 2.9Å; R59-D270 IonicContact NH2-OD2 3.84Å; R59-D270 PolarHBondContact NH2-OD2 2.98Å; R59-N276 PolarHBondContact NH2-O 2.89Å; R59-F278 HydrophobicContact CB-CZ 4.22Å
60	G	98.8	Very high	98.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	91.2	6.1	166.2	0	0	0	0	0	115.9	G96 K125	G60-G96 PolarHBondContact N-O 3.14Å; G60-K125 PolarHBondContact O-NZ 3.16Å
61	F	98.9	Very high	98.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	-175	-179	61.8	-87	0	0	0	111.1	L40 H58 R59 T63 A95 W117 V118 P255 V257	L40-F61 HydrophobicContact CD1-CB 3.74Å; L40-F61 HydrophobicContact CD1-CD1 4.41Å; L40-F61 HydrophobicContact CD1-CD2 4.38Å; L40-F61 HydrophobicContact CD1-CG 3.95Å; H58-F61 HydrophobicContact CB-CZ 4.07Å; H58-F61 AromaticContact CG-CZ 4Å; H58-F61 AromaticContact ND1-CE2 3.82Å; H58-F61 AromaticContact ND1-CZ 3.31Å; H58-F61 VanDerWaalsContact ND1-CZ 3.31Å; H58-F61 WeakPolarHBondContact ND1-CZ 3.23Å; R59-F61 WeakPolarHBondContact O-CD1 3.4Å; R59-F61 WeakPolarHBondContact O-CE1 3.33Å; F61-T63 HydrophobicContact CD2-CG2 4.31Å; F61-T63 HydrophobicContact CE2-CG2 3.75Å; F61-A95 WeakPolarHBondContact O-CB 3.24Å; F61-A95 PolarHBondContact O-N 3.45Å; F61-W117 HydrophobicContact CD2-CB 4.08Å; F61-W117 HydrophobicContact CD2-CD2 4.09Å; F61-W117 HydrophobicContact CD2-CE3 4.18Å; F61-W117 HydrophobicContact CD2-CG 4.06Å; F61-W117 HydrophobicContact CE1-CE3 4.33Å; F61-W117 HydrophobicContact CE1-CZ3 4.29Å; F61-W117 HydrophobicContact CE2-CB 4.19Å; F61-W117 AromaticContact CE2-CD2 3.32Å; F61-W117 HydrophobicContact CE2-CD2 3.32Å; F61-W117 AromaticContact CE2-CE2 3.75Å; F61-W117 AromaticContact CE2-CE3 3.44Å; F61-W117 HydrophobicContact CE2-CE3 3.44Å; F61-W117 VanDerWaalsContact CE2-CE3 3.44Å; F61-W117 AromaticContact CE2-CG 3.68Å; F61-W117 HydrophobicContact CE2-CG 3.68Å; F61-W117 HydrophobicContact CE2-CH2 4.34Å; F61-W117 HydrophobicContact CE2-CZ2 4.27Å; F61-W117 AromaticContact CE2-CZ3 3.95Å; F61-W117 HydrophobicContact CE2-CZ3 3.95Å; F61-W117 AromaticContact CZ-CD2 3.84Å; F61-W117 HydrophobicContact CZ-CD2 3.84Å; F61-W117 AromaticContact CZ-CE3 3.52Å; F61-W117 HydrophobicContact CZ-CE3 3.52Å; F61-W117 AromaticContact CZ-CH2 3.9Å; F61-W117 HydrophobicContact CZ-CH2 3.9Å; F61-W117 HydrophobicContact CZ-CZ2 4.21Å; F61-W117 AromaticContact CZ-CZ3 3.54Å; F61-W117 HydrophobicContact CZ-CZ3 3.54Å; F61-V118 WeakPolarHBondContact CB-O 3.33Å; F61-P255 WeakPolarHBondContact CE1-O 3.48Å; F61-V257 HydrophobicContact CD1-CB 3.69Å; F61-V257 HydrophobicContact CD1-CG2 3.77Å; F61-V257 HydrophobicContact CE1-CB 4.11Å; F61-V257 HydrophobicContact CE1-CG2 3.73Å
62	E	98.9	Very high	98.7	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	143.8	176.7	-43.7	-166.8	110.9	0	0	111.1	W92 M93 T94 W117 V118 L120 R166	E62-W92 PolarHBondContact OE2-NE1 2.94Å; E62-M93 CarbonylContact C-O 3.56Å; E62-M93 WeakPolarHBondContact CA-O 3.16Å; E62-M93 WeakPolarHBondContact CB-O 3.36Å; E62-T94 HydrophobicContact CG-CG2 4.24Å; E62-T94 WeakPolarHBondContact OE1-CB 3.48Å; E62-T94 PolarHBondContact OE1-OG1 3.11Å; E62-W117 CarbonylContact O-C 3.6Å; E62-W117 VanDerWaalsContact O-CA 3.31Å; E62-W117 WeakPolarHBondContact O-CA 3.29Å; E62-V118 HydrophobicContact CB-CB 4.43Å; E62-V118 PolarHBondContact N-O 2.92Å; E62-V118 PolarHBondContact O-N 2.92Å; E62-L120 HydrophobicContact CG-CD1 4.18Å; E62-L120 HydrophobicContact CG-CD2 3.77Å; E62-L120 HydrophobicContact CG-CG 3.9Å; E62-R166 IonicContact OE1-NH1 3.75Å
63	T	98.9	Very high	98.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.2	168.2	62.8	0	0	0	0	109.5	F61 M93 L116 W117	F61-T63 HydrophobicContact CD2-CG2 4.31Å; F61-T63 HydrophobicContact CE2-CG2 3.75Å; T63-M93 HydrophobicContact CG2-CE 4.18Å; T63-M93 PolarHBondContact N-O 2.95Å; T63-M93 PolarHBondContact O-N 2.86Å; T63-M93 WeakPolarHBondContact OG1-CE 3.08Å; T63-L116 CarbonylContact C-O 3.6Å; T63-L116 WeakPolarHBondContact CA-O 3.3Å; T63-W117 HydrophobicContact CG2-CG 4.39Å
64	V	98.9	Very high	98.8	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	107.6	178.3	-171.2	0	0	0	0	108.4	L90 Q91 W92 Q115 L116 V118 Y171	V64-L90 HydrophobicContact CG1-CD1 3.67Å; V64-Q91 CarbonylContact C-O 3.56Å; V64-Q91 WeakPolarHBondContact CA-O 3.45Å; V64-W92 HydrophobicContact CB-CD2 4.36Å; V64-W92 HydrophobicContact CB-CE3 4.33Å; V64-W92 HydrophobicContact CG1-CD2 3.99Å; V64-W92 HydrophobicContact CG1-CE3 3.54Å; V64-W92 HydrophobicContact CG1-CG 4.49Å; V64-W92 HydrophobicContact CG1-CZ3 3.95Å; V64-W92 HydrophobicContact CG2-CD2 3.47Å; V64-W92 VanDerWaalsContact CG2-CD2 3.47Å; V64-W92 VanDerWaalsContact CG2-CE2 3.48Å; V64-W92 HydrophobicContact CG2-CE3 3.78Å; V64-W92 HydrophobicContact CG2-CG 3.89Å; V64-W92 HydrophobicContact CG2-CH2 4.11Å; V64-W92 HydrophobicContact CG2-CZ2 3.82Å; V64-W92 HydrophobicContact CG2-CZ3 4.1Å; V64-Q115 WeakPolarHBondContact O-CA 3.38Å; V64-L116 HydrophobicContact CB-CB 4.26Å; V64-L116 PolarHBondContact N-O 2.64Å; V64-L116 PolarHBondContact O-N 2.56Å; V64-V118 HydrophobicContact CG2-CG2 4.16Å; V64-Y171 HydrophobicContact CG1-CD2 4.23Å; V64-Y171 HydrophobicContact CG1-CE2 4.12Å
65	S	98.9	Very high	98.8	Very high	5 Å²	5	17 Å²	17	4%	0.035	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.3	178.4	-62.1	0	0	0	0	109	M85 Q91 E103 L114	S65-M85 WeakPolarHBondContact O-CE 3.4Å; S65-Q91 PolarHBondContact N-O 3.02Å; S65-Q91 PolarHBondContact O-N 2.89Å; S65-E103 PolarHBondContact OG-OE1 2.97Å; S65-L114 WeakPolarHBondContact CA-O 3.43Å
66	Y	98.9	Very high	98.8	Very high	6 Å²	6	16.2 Å²	16.2	2%	0.024	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	125.5	178.4	176.9	-114.6	0	0	0	109.9	L68 D89 G113 L114 I139 I152 D173	Y66-L68 HydrophobicContact CD1-CD2 4.04Å; Y66-L68 HydrophobicContact CE1-CD2 3.76Å; Y66-D89 WeakPolarHBondContact CD2-O 3.44Å; Y66-G113 CarbonylContact O-C 3.59Å; Y66-G113 WeakPolarHBondContact O-CA 3.45Å; Y66-L114 HydrophobicContact CD1-CD1 4.38Å; Y66-L114 PolarHBondContact N-O 2.8Å; Y66-L114 PolarHBondContact O-N 3.01Å; Y66-I139 HydrophobicContact CE2-CD1 4.2Å; Y66-I152 HydrophobicContact CD1-CD1 3.87Å; Y66-I152 HydrophobicContact CD2-CD1 3.93Å; Y66-I152 HydrophobicContact CD2-CG1 4.24Å; Y66-I152 HydrophobicContact CE1-CD1 3.97Å; Y66-I152 HydrophobicContact CE2-CD1 4.04Å; Y66-I152 HydrophobicContact CE2-CG1 4.18Å; Y66-I152 HydrophobicContact CG-CD1 3.84Å; Y66-D173 HydrophobicContact CE1-CB 3.97Å; Y66-D173 WeakPolarHBondContact CE1-OD2 3.39Å; Y66-D173 PolarHBondContact OH-OD2 2.93Å
67	L	98.9	Very high	98.8	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.2	-174.9	-133.5	68.7	0	0	0	111.7	F45 G71 M73 M85 N86 G88 D89	F45-L67 HydrophobicContact CE2-CD1 4.47Å; F45-L67 HydrophobicContact CZ-CD1 3.69Å; L67-G71 WeakPolarHBondContact CD2-O 3.5Å; L67-M73 HydrophobicContact CD1-CB 4.25Å; L67-M73 HydrophobicContact CD1-CG 3.58Å; L67-M73 HydrophobicContact CD2-CG 4.43Å; L67-M85 HydrophobicContact CD2-CB 4.22Å; L67-M85 VanDerWaalsContact CD2-O 3.3Å; L67-M85 WeakPolarHBondContact CD2-O 3.34Å; L67-N86 WeakPolarHBondContact CB-O 3.33Å; L67-G88 WeakPolarHBondContact O-CA 3.48Å; L67-G88 PolarHBondContact O-N 2.89Å; L67-D89 PolarHBondContact N-O 2.84Å; L67-D89 VanDerWaalsContact N-O 3.12Å
68	L	98.8	Very high	98.8	Very high	8 Å²	8	14.5 Å²	14.5	4%	0.042	8%	0.08	C	C	.	.			trans	-91.9	-178.3	171.6	-55.4	178.7	0	0	0	109.6	Y66 G70 P87 H112 L114 I197	Y66-L68 HydrophobicContact CD1-CD2 4.04Å; Y66-L68 HydrophobicContact CE1-CD2 3.76Å; L68-G70 PolarHBondContact O-N 2.64Å; L68-P87 WeakPolarHBondContact O-CB 3.07Å; L68-H112 WeakPolarHBondContact CA-O 3.17Å; L68-H112 HydrophobicContact CB-CB 4.38Å; L68-H112 WeakPolarHBondContact CB-O 3.28Å; L68-H112 PolarHBondContact N-O 2.97Å; L68-L114 HydrophobicContact CD1-CD1 4.42Å; L68-L114 HydrophobicContact CD1-CD2 4.29Å; L68-L114 HydrophobicContact CD1-CG 4.11Å; L68-L114 HydrophobicContact CD2-CD1 4.28Å; L68-L114 HydrophobicContact CG-CG 4.37Å; L68-I197 HydrophobicContact CD1-CD1 4.1Å; L68-I197 HydrophobicContact CD1-CG2 4.03Å; L68-I197 HydrophobicContact CD2-CD1 4.27Å
69	E	98.6	Very high	98.7	Very high	156 Å²	156	17.5 Å²	17.5	73%	0.729	10%	0.101	S	C	*	.	S	Bend	trans	-60	132.5	174.3	-64.3	-61.4	155.6	0	0	111.5
70	G	98.2	Very high	98.7	Very high	26 Å²	26	19.9 Å²	19.9	27%	0.268	13%	0.127	S	C	.	.	S	Bend	trans	146.1	-152.1	-177.8	0	0	0	0	0	111.8	L68 P87	L68-G70 PolarHBondContact O-N 2.64Å; G70-P87 WeakPolarHBondContact O-CG 3.31Å
71	G	98.6	Very high	98.7	Very high	2 Å²	2	22.8 Å²	22.8	2%	0.021	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-71.4	171.7	176.2	0	0	0	0	0	115	L67 S107 E109 P110 A111	L67-G71 WeakPolarHBondContact CD2-O 3.5Å; G71-S107 WeakPolarHBondContact CA-OG 3.38Å; G71-E109 WeakPolarHBondContact CA-O 3.25Å; G71-P110 PolarHBondContact N-O 3.1Å; G71-A111 WeakPolarHBondContact O-CA 3.24Å
72	S	98.9	Very high	98.7	Very high	14 Å²	14	26.9 Å²	26.9	10%	0.098	17%	0.165	C	C	.	.			trans	-91.9	155.3	-179.8	-53.6	0	0	0	0	112.5	Q84 M85 N86 P105 C106 S107	S72-Q84 PolarHBondContact OG-NE2 2.75Å; S72-M85 CarbonylContact C-O 3.56Å; S72-M85 VanDerWaalsContact CA-O 3.22Å; S72-M85 WeakPolarHBondContact CA-O 3.43Å; S72-M85 VanDerWaalsContact CB-O 3.27Å; S72-M85 WeakPolarHBondContact CB-O 3.38Å; S72-N86 PolarHBondContact OG-OD1 3.05Å; S72-P105 WeakPolarHBondContact O-CA 3.42Å; S72-C106 VanDerWaalsContact CB-SG 3.56Å; S72-C106 PolarHBondContact O-N 2.84Å; S72-S107 PolarHBondContact N-OG 3.11Å
73	M	98.9	Very high	98.6	Very high	9 Å²	9	28 Å²	28	4%	0.044	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	139.2	171.7	-70.5	-72.1	-70.3	0	0	110.1	F45 F53 L67 Q84 M85 E103 P105 C106 A111	F45-M73 HydrophobicContact CE2-CE 4.19Å; F45-M73 HydrophobicContact CE2-CG 4.08Å; F45-M73 HydrophobicContact CE2-SD 3.79Å; F45-M73 HydrophobicContact CZ-CE 4.28Å; F45-M73 HydrophobicContact CZ-CG 3.97Å; F45-M73 HydrophobicContact CZ-SD 4.18Å; F53-M73 HydrophobicContact CD2-CE 4.39Å; L67-M73 HydrophobicContact CD1-CB 4.25Å; L67-M73 HydrophobicContact CD1-CG 3.58Å; L67-M73 HydrophobicContact CD2-CG 4.43Å; M73-Q84 CarbonylContact O-C 3.56Å; M73-Q84 VanDerWaalsContact O-CA 3.29Å; M73-Q84 WeakPolarHBondContact O-CA 3.4Å; M73-M85 HydrophobicContact CB-CB 4.48Å; M73-M85 PolarHBondContact N-O 2.87Å; M73-M85 PolarHBondContact O-N 2.9Å; M73-E103 HydrophobicContact CE-CB 4.04Å; M73-P105 HydrophobicContact SD-CB 4.19Å; M73-P105 VanDerWaalsContact SD-CD 3.58Å; M73-P105 HydrophobicContact SD-CG 3.72Å; M73-P105 VanDerWaalsContact SD-N 3.36Å; M73-C106 VanDerWaalsContact C-SG 3.55Å; M73-A111 HydrophobicContact CG-CB 3.71Å; M73-A111 HydrophobicContact SD-CB 3.66Å
74	A	98.9	Very high	98.6	Very high	17 Å²	17	33.4 Å²	33.4	14%	0.14	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	148.5	166.8	0	0	0	0	0	110.1	G83 E103 M104 C106 I288	A74-G83 CarbonylContact C-O 3.45Å; A74-G83 WeakPolarHBondContact CA-O 3.5Å; A74-E103 CarbonylContact O-C 3.6Å; A74-E103 WeakPolarHBondContact O-CA 3.33Å; A74-M104 PolarHBondContact N-O 2.86Å; A74-M104 PolarHBondContact O-N 2.96Å; A74-C106 HydrophobicContact CB-CB 3.65Å; A74-I288 HydrophobicContact CB-CD1 4.18Å
75	H	98.8	Very high	98.6	Very high	11 Å²	11	34 Å²	34	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147.8	169.3	61.8	90.6	0	0	0	111.4	H81 T82 G83 Q91 A102 E103 E133	H75-H81 AromaticContact CE1-CD2 3.98Å; H75-H81 AromaticContact CE1-NE2 3.7Å; H75-T82 WeakPolarHBondContact O-CA 3.38Å; H75-G83 PolarHBondContact CD2-O 2.92Å; H75-G83 VanDerWaalsContact CE1-CA 3.47Å; H75-G83 WeakPolarHBondContact CE1-CA 3.37Å; H75-G83 PolarHBondContact CE1-N 2.93Å; H75-G83 PolarHBondContact N-O 2.88Å; H75-G83 PolarHBondContact ND1-N 3.2Å; H75-G83 WeakPolarHBondContact NE2-CA 3.23Å; H75-G83 PolarHBondContact NE2-N 3.03Å; H75-G83 PolarHBondContact O-N 2.81Å; H75-G83 VanDerWaalsContact O-N 3.1Å; H75-Q91 PolarHBondContact CD2-NE2 3.36Å; H75-Q91 PolarHBondContact CE1-NE2 3.18Å; H75-Q91 PolarHBondContact ND1-NE2 3.36Å; H75-Q91 PolarHBondContact NE2-NE2 3.33Å; H75-Q91 VanDerWaalsContact NE2-NE2 3.19Å; H75-A102 WeakPolarHBondContact CA-O 3.26Å; H75-E103 HydrophobicContact CB-CG 4.49Å; H75-E133 IonicContact CE1-OE1 3.68Å; H75-E133 PolarHBondContact CE1-OE1 2.99Å; H75-E133 IonicContact ND1-OE1 3.59Å; H75-E133 IonicContact NE2-OE1 3.55Å; H75-E133 PolarHBondContact NE2-OE1 3.15Å
76	E	98.8	Very high	98.6	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.103	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	127.8	178.7	-179.6	-176.6	171	0	0	109.7	H81 T82 H101 A102 W284 S286 K287 I288	E76-H81 WeakPolarHBondContact CA-O 3.19Å; E76-T82 HydrophobicContact CB-CG2 4.09Å; E76-T82 HydrophobicContact CG-CG2 3.87Å; E76-H101 CarbonylContact O-C 3.56Å; E76-H101 WeakPolarHBondContact O-CA 3.31Å; E76-H101 WeakPolarHBondContact O-CB 3.45Å; E76-A102 PolarHBondContact N-O 2.71Å; E76-A102 VanDerWaalsContact N-O 3.12Å; E76-A102 PolarHBondContact O-N 2.76Å; E76-W284 HydrophobicContact CG-CZ2 4.16Å; E76-S286 WeakPolarHBondContact OE2-CB 3.46Å; E76-K287 VanDerWaalsContact CD-N 3.33Å; E76-K287 PolarHBondContact OE1-N 3.29Å; E76-K287 WeakPolarHBondContact OE2-CB 3.39Å; E76-K287 PolarHBondContact OE2-N 2.84Å; E76-I288 HydrophobicContact CB-CD1 3.78Å; E76-I288 HydrophobicContact CB-CG1 4.01Å; E76-I288 PolarHBondContact OE2-N 2.85Å
77	D	98.8	Very high	98.6	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	166.3	178.4	85.9	5.7	0	0	0	114.1	C79 G80 H81 L100 H101 W284	D77-C79 PolarHBondContact O-N 2.86Å; D77-C79 VanDerWaalsContact O-N 3.14Å; D77-C79 VanDerWaalsContact OD1-CA 3.24Å; D77-C79 WeakPolarHBondContact OD1-CA 3.32Å; D77-C79 VanDerWaalsContact OD1-CB 3.3Å; D77-C79 WeakPolarHBondContact OD1-CB 3.5Å; D77-C79 PolarHBondContact OD1-N 3.37Å; D77-G80 PolarHBondContact O-N 2.74Å; D77-G80 PolarHBondContact OD1-N 3.13Å; D77-H81 PolarHBondContact N-O 3.25Å; D77-H81 PolarHBondContact OD1-N 3.05Å; D77-H81 WeakPolarHBondContact OD2-CB 3.48Å; D77-L100 WeakPolarHBondContact CA-O 3.26Å; D77-H101 HydrophobicContact CB-CB 3.91Å; D77-W284 WeakPolarHBondContact O-CZ2 3.5Å; D77-W284 PolarHBondContact O-NE1 3.41Å
78	F	98.4	Very high	98.6	Very high	14 Å²	14	38.4 Å²	38.4	6%	0.061	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-7.8	177.2	73.9	-14.9	0	0	0	116.3	I99 L100 G277 F278 R280 W284	F78-I99 HydrophobicContact CE1-CD1 4Å; F78-L100 HydrophobicContact CB-CB 4.15Å; F78-L100 HydrophobicContact CD2-CB 3.69Å; F78-L100 HydrophobicContact CE2-CB 4.27Å; F78-L100 HydrophobicContact CG-CB 3.95Å; F78-L100 PolarHBondContact N-O 2.74Å; F78-G277 WeakPolarHBondContact CZ-O 3.34Å; F78-F278 HydrophobicContact CE2-CD1 4.28Å; F78-R280 HydrophobicContact CB-CB 4.17Å; F78-R280 HydrophobicContact CD2-CB 3.68Å; F78-R280 HydrophobicContact CE2-CB 4.23Å; F78-R280 HydrophobicContact CG-CB 3.98Å; F78-R280 WeakPolarHBondContact O-CD 2.97Å; F78-W284 VanDerWaalsContact CA-CE2 3.43Å; F78-W284 HydrophobicContact CB-CB 4.18Å; F78-W284 HydrophobicContact CB-CD2 3.64Å; F78-W284 HydrophobicContact CB-CE3 4.06Å; F78-W284 HydrophobicContact CB-CG 3.71Å
79	C	97.4	Very high	98.6	Very high	66 Å²	66	38.7 Å²	38.7	45%	0.446	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-12.2	175.3	-78.3	0	0	0	0	112	D77 R280	D77-C79 PolarHBondContact O-N 2.86Å; D77-C79 VanDerWaalsContact O-N 3.14Å; D77-C79 VanDerWaalsContact OD1-CA 3.24Å; D77-C79 WeakPolarHBondContact OD1-CA 3.32Å; D77-C79 VanDerWaalsContact OD1-CB 3.3Å; D77-C79 WeakPolarHBondContact OD1-CB 3.5Å; D77-C79 PolarHBondContact OD1-N 3.37Å; C79-R280 PolarHBondContact O-NH1 3.14Å
80	G	98	Very high	98.6	Very high	55 Å²	55	31.4 Å²	31.4	57%	0.567	20%	0.2	S	C	*	.	S	Bend	trans	93.5	9.3	-176.8	0	0	0	0	0	113.5	D77	D77-G80 PolarHBondContact O-N 2.74Å; D77-G80 PolarHBondContact OD1-N 3.13Å
81	H	98.6	Very high	98.7	Very high	60 Å²	60	30.2 Å²	30.2	28%	0.278	19%	0.187	S	C	.	.			trans	-72.6	133.1	170.2	-176.2	59.8	0	0	0	109.3	H75 E76 D77 Y131 E133	H75-H81 AromaticContact CE1-CD2 3.98Å; H75-H81 AromaticContact CE1-NE2 3.7Å; E76-H81 WeakPolarHBondContact CA-O 3.19Å; D77-H81 PolarHBondContact N-O 3.25Å; D77-H81 PolarHBondContact OD1-N 3.05Å; D77-H81 WeakPolarHBondContact OD2-CB 3.48Å; H81-Y131 AromaticContact CD2-CD2 3.74Å; H81-Y131 AromaticContact CD2-CE2 3.77Å; H81-Y131 AromaticContact CD2-CG 3.9Å; H81-Y131 AromaticContact CD2-CZ 3.96Å; H81-Y131 AromaticContact NE2-CG 3.92Å; H81-E133 IonicContact CD2-OE1 3.26Å; H81-E133 IonicContact CE1-OE1 3.79Å; H81-E133 IonicContact CE1-OE2 3.76Å; H81-E133 PolarHBondContact CE1-OE2 3.28Å; H81-E133 IonicContact NE2-OE1 2.86Å; H81-E133 PolarHBondContact NE2-OE1 2.75Å; H81-E133 IonicContact NE2-OE2 2.73Å; H81-E133 PolarHBondContact NE2-OE2 3.18Å
82	T	98.8	Very high	98.7	Very high	86 Å²	86	30.1 Å²	30.1	53%	0.528	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.3	-177	62.2	0	0	0	0	110.4	H75 E76	H75-T82 WeakPolarHBondContact O-CA 3.38Å; E76-T82 HydrophobicContact CB-CG2 4.09Å; E76-T82 HydrophobicContact CG-CG2 3.87Å
83	G	98.4	Very high	98.7	Very high	23 Å²	23	29.4 Å²	29.4	24%	0.237	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	172.3	170.9	0	0	0	0	0	112.4	A74 H75	A74-G83 CarbonylContact C-O 3.45Å; A74-G83 WeakPolarHBondContact CA-O 3.5Å; H75-G83 PolarHBondContact CD2-O 2.92Å; H75-G83 VanDerWaalsContact CE1-CA 3.47Å; H75-G83 WeakPolarHBondContact CE1-CA 3.37Å; H75-G83 PolarHBondContact CE1-N 2.93Å; H75-G83 PolarHBondContact N-O 2.88Å; H75-G83 PolarHBondContact ND1-N 3.2Å; H75-G83 WeakPolarHBondContact NE2-CA 3.23Å; H75-G83 PolarHBondContact NE2-N 3.03Å; H75-G83 PolarHBondContact O-N 2.81Å; H75-G83 VanDerWaalsContact O-N 3.1Å
84	Q	98.8	Very high	98.7	Very high	114 Å²	114	29 Å²	29	53%	0.533	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.5	174.6	176.3	179.5	-28.2	0	0	108.2	S72 M73 N86	S72-Q84 PolarHBondContact OG-NE2 2.75Å; M73-Q84 CarbonylContact O-C 3.56Å; M73-Q84 VanDerWaalsContact O-CA 3.29Å; M73-Q84 WeakPolarHBondContact O-CA 3.4Å; Q84-N86 PolarHBondContact NE2-OD1 2.82Å; Q84-N86 VanDerWaalsContact NE2-OD1 3.1Å
85	M	98.9	Very high	98.7	Very high	12 Å²	12	28.2 Å²	28.2	6%	0.059	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.7	174	-61.8	178	66.3	0	0	109.8	S65 L67 S72 M73 D89 Q91	S65-M85 WeakPolarHBondContact O-CE 3.4Å; L67-M85 HydrophobicContact CD2-CB 4.22Å; L67-M85 VanDerWaalsContact CD2-O 3.3Å; L67-M85 WeakPolarHBondContact CD2-O 3.34Å; S72-M85 CarbonylContact C-O 3.56Å; S72-M85 VanDerWaalsContact CA-O 3.22Å; S72-M85 WeakPolarHBondContact CA-O 3.43Å; S72-M85 VanDerWaalsContact CB-O 3.27Å; S72-M85 WeakPolarHBondContact CB-O 3.38Å; M73-M85 HydrophobicContact CB-CB 4.48Å; M73-M85 PolarHBondContact N-O 2.87Å; M73-M85 PolarHBondContact O-N 2.9Å; M85-D89 HydrophobicContact CB-CB 4.15Å; M85-D89 HydrophobicContact CE-CB 4.45Å; M85-D89 WeakPolarHBondContact CE-O 3.35Å; M85-Q91 HydrophobicContact CE-CB 4.14Å; M85-Q91 HydrophobicContact SD-CB 3.82Å
86	N	98.9	Very high	98.7	Very high	63 Å²	63	27.7 Å²	27.7	34%	0.337	17%	0.17	S	C	.	.			trans	-113	172.9	173.5	-55.2	-63.1	0	0	0	109.9	L67 S72 Q84 G88 D89	L67-N86 WeakPolarHBondContact CB-O 3.33Å; S72-N86 PolarHBondContact OG-OD1 3.05Å; Q84-N86 PolarHBondContact NE2-OD1 2.82Å; Q84-N86 VanDerWaalsContact NE2-OD1 3.1Å; N86-G88 PolarHBondContact O-N 2.83Å; N86-D89 PolarHBondContact N-OD2 3.12Å; N86-D89 WeakPolarHBondContact O-CB 3.27Å; N86-D89 VanDerWaalsContact O-CG 3.31Å; N86-D89 PolarHBondContact O-N 2.9Å
87	P	98.9	Very high	98.7	Very high	37 Å²	37	29.9 Å²	29.9	24%	0.24	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	126	179.5	-33.3	39.4	0	0	0	114.2	L68 G70 D89	L68-P87 WeakPolarHBondContact O-CB 3.07Å; G70-P87 WeakPolarHBondContact O-CG 3.31Å; P87-D89 VanDerWaalsContact C-N 3.33Å
88	G	98.7	Very high	98.7	Very high	7 Å²	7	29.7 Å²	29.7	7%	0.072	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	0.1	-177.6	0	0	0	0	0	115.2	L67 N86 S136 I139	L67-G88 WeakPolarHBondContact O-CA 3.48Å; L67-G88 PolarHBondContact O-N 2.89Å; N86-G88 PolarHBondContact O-N 2.83Å; G88-S136 WeakPolarHBondContact O-CA 3.5Å; G88-S136 WeakPolarHBondContact O-CB 3.25Å; G88-I139 VanDerWaalsContact O-CD1 3.23Å; G88-I139 WeakPolarHBondContact O-CD1 3.23Å
89	D	98.9	Very high	98.7	Very high	14 Å²	14	29.1 Å²	29.1	8%	0.075	17%	0.174	C	C	.	.			trans	-76.6	153.9	174.1	-64.9	-12.1	0	0	0	111.2	Y66 L67 M85 N86 P87 K135 S136	Y66-D89 WeakPolarHBondContact CD2-O 3.44Å; L67-D89 PolarHBondContact N-O 2.84Å; L67-D89 VanDerWaalsContact N-O 3.12Å; M85-D89 HydrophobicContact CB-CB 4.15Å; M85-D89 HydrophobicContact CE-CB 4.45Å; M85-D89 WeakPolarHBondContact CE-O 3.35Å; N86-D89 PolarHBondContact N-OD2 3.12Å; N86-D89 WeakPolarHBondContact O-CB 3.27Å; N86-D89 VanDerWaalsContact O-CG 3.31Å; N86-D89 PolarHBondContact O-N 2.9Å; P87-D89 VanDerWaalsContact C-N 3.33Å; D89-K135 VanDerWaalsContact OD1-CA 3.28Å; D89-K135 WeakPolarHBondContact OD1-CA 3.46Å; D89-S136 PolarHBondContact OD1-N 2.79Å
90	L	98.9	Very high	98.8	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.1	-177.6	173.1	70.8	0	0	0	110.8	V64 E133 L134 I139 I152 V163	V64-L90 HydrophobicContact CG1-CD1 3.67Å; L90-E133 WeakPolarHBondContact O-CA 3.45Å; L90-L134 HydrophobicContact CB-CB 4.37Å; L90-L134 HydrophobicContact CD2-CD1 4.25Å; L90-L134 HydrophobicContact CD2-CG 4.49Å; L90-L134 PolarHBondContact N-O 3.41Å; L90-L134 PolarHBondContact O-N 2.95Å; L90-I139 HydrophobicContact CB-CD1 3.59Å; L90-I139 HydrophobicContact CD2-CD1 4.42Å; L90-I152 HydrophobicContact CD1-CG2 3.59Å; L90-I152 HydrophobicContact CD2-CG2 3.77Å; L90-I152 HydrophobicContact CG-CG2 4.3Å; L90-V163 HydrophobicContact CD2-CG2 3.83Å
91	Q	98.9	Very high	98.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.7	160.6	-179.6	-177.2	91.5	0	0	109.3	V64 S65 H75 M85 M93 Y131 E133	V64-Q91 CarbonylContact C-O 3.56Å; V64-Q91 WeakPolarHBondContact CA-O 3.45Å; S65-Q91 PolarHBondContact N-O 3.02Å; S65-Q91 PolarHBondContact O-N 2.89Å; H75-Q91 PolarHBondContact CD2-NE2 3.36Å; H75-Q91 PolarHBondContact CE1-NE2 3.18Å; H75-Q91 PolarHBondContact ND1-NE2 3.36Å; H75-Q91 PolarHBondContact NE2-NE2 3.33Å; H75-Q91 VanDerWaalsContact NE2-NE2 3.19Å; M85-Q91 HydrophobicContact CE-CB 4.14Å; M85-Q91 HydrophobicContact SD-CB 3.82Å; Q91-M93 HydrophobicContact CG-CB 4.47Å; Q91-Y131 HydrophobicContact CG-CD1 3.95Å; Q91-Y131 HydrophobicContact CG-CE1 4.38Å; Q91-E133 HydrophobicContact CB-CG 4.23Å; Q91-E133 HydrophobicContact CG-CG 3.96Å; Q91-E133 PolarHBondContact NE2-OE1 2.8Å
92	W	98.9	Very high	98.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	102.3	169.3	-160.9	-59	0	0	0	108.8	E62 V64 V118 Q132 I152 V163 T165 T169	E62-W92 PolarHBondContact OE2-NE1 2.94Å; V64-W92 HydrophobicContact CB-CD2 4.36Å; V64-W92 HydrophobicContact CB-CE3 4.33Å; V64-W92 HydrophobicContact CG1-CD2 3.99Å; V64-W92 HydrophobicContact CG1-CE3 3.54Å; V64-W92 HydrophobicContact CG1-CG 4.49Å; V64-W92 HydrophobicContact CG1-CZ3 3.95Å; V64-W92 HydrophobicContact CG2-CD2 3.47Å; V64-W92 VanDerWaalsContact CG2-CD2 3.47Å; V64-W92 VanDerWaalsContact CG2-CE2 3.48Å; V64-W92 HydrophobicContact CG2-CE3 3.78Å; V64-W92 HydrophobicContact CG2-CG 3.89Å; V64-W92 HydrophobicContact CG2-CH2 4.11Å; V64-W92 HydrophobicContact CG2-CZ2 3.82Å; V64-W92 HydrophobicContact CG2-CZ3 4.1Å; W92-V118 HydrophobicContact CZ2-CG2 4.5Å; W92-Q132 HydrophobicContact CB-CB 4.23Å; W92-Q132 PolarHBondContact N-O 3.01Å; W92-Q132 PolarHBondContact O-N 2.67Å; W92-I152 HydrophobicContact CZ3-CG2 4.32Å; W92-V163 HydrophobicContact CB-CG1 4.42Å; W92-V163 HydrophobicContact CD2-CG1 3.81Å; W92-V163 HydrophobicContact CE3-CG1 3.61Å; W92-V163 HydrophobicContact CG-CG1 4.2Å; W92-V163 HydrophobicContact CZ3-CG1 4.16Å; W92-T165 HydrophobicContact CH2-CG2 3.57Å; W92-T165 HydrophobicContact CZ2-CG2 3.57Å; W92-T165 HydrophobicContact CZ3-CG2 4.24Å; W92-T169 HydrophobicContact CH2-CG2 3.86Å; W92-T169 HydrophobicContact CZ2-CG2 4.48Å
93	M	98.9	Very high	98.8	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113.7	-176.2	-177.9	-175.3	84.4	0	0	110.5	E62 T63 Q91 A95 I99 Q130 Y131	E62-M93 CarbonylContact C-O 3.56Å; E62-M93 WeakPolarHBondContact CA-O 3.16Å; E62-M93 WeakPolarHBondContact CB-O 3.36Å; T63-M93 HydrophobicContact CG2-CE 4.18Å; T63-M93 PolarHBondContact N-O 2.95Å; T63-M93 PolarHBondContact O-N 2.86Å; T63-M93 WeakPolarHBondContact OG1-CE 3.08Å; Q91-M93 HydrophobicContact CG-CB 4.47Å; M93-A95 HydrophobicContact CE-CB 4.21Å; M93-A95 PolarHBondContact O-N 2.87Å; M93-I99 HydrophobicContact CE-CB 4.25Å; M93-I99 HydrophobicContact CE-CG1 4.46Å; M93-I99 HydrophobicContact CE-CG2 4.02Å; M93-I99 HydrophobicContact SD-CB 4.35Å; M93-I99 HydrophobicContact SD-CG1 4.17Å; M93-I99 HydrophobicContact SD-CG2 3.86Å; M93-Q130 CarbonylContact C-O 3.5Å; M93-Q130 WeakPolarHBondContact CA-O 3.36Å; M93-Y131 HydrophobicContact CB-CD1 3.97Å; M93-Y131 HydrophobicContact CB-CE1 3.79Å; M93-Y131 HydrophobicContact CG-CD1 3.91Å; M93-Y131 HydrophobicContact CG-CE1 3.39Å; M93-Y131 HydrophobicContact CG-CE2 4.44Å; M93-Y131 HydrophobicContact SD-CD1 4.5Å; M93-Y131 HydrophobicContact SD-CE1 3.45Å; M93-Y131 WeakPolarHBondContact SD-CE1 3.09Å; M93-Y131 VanDerWaalsContact SD-CZ 3.54Å; M93-Y131 PolarHBondContact SD-OH 3.45Å
94	T	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	108.3	165.7	-50.3	0	0	0	0	108.2	E62 L120 V127 P129 Q130 R166	E62-T94 HydrophobicContact CG-CG2 4.24Å; E62-T94 WeakPolarHBondContact OE1-CB 3.48Å; E62-T94 PolarHBondContact OE1-OG1 3.11Å; T94-L120 HydrophobicContact CG2-CD1 3.9Å; T94-V127 HydrophobicContact CG2-CG2 4.02Å; T94-P129 CarbonylContact O-C 3.49Å; T94-P129 WeakPolarHBondContact O-CA 3.23Å; T94-Q130 PolarHBondContact N-O 2.72Å; T94-Q130 PolarHBondContact O-N 3.34Å; T94-R166 PolarHBondContact OG1-NH1 2.87Å
95	A	98.8	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.			trans	-76.6	-32.9	-178.6	0	0	0	0	0	112.6	H58 F61 M93 R97 G98 I99 P129	H58-A95 HydrophobicContact CB-CB 3.73Å; F61-A95 WeakPolarHBondContact O-CB 3.24Å; F61-A95 PolarHBondContact O-N 3.45Å; M93-A95 HydrophobicContact CE-CB 4.21Å; M93-A95 PolarHBondContact O-N 2.87Å; A95-R97 PolarHBondContact O-N 2.6Å; A95-G98 CarbonylContact O-C 3.49Å; A95-G98 PolarHBondContact O-N 3.3Å; A95-I99 HydrophobicContact CB-CB 4.49Å; A95-I99 HydrophobicContact CB-CG1 4.45Å; A95-P129 WeakPolarHBondContact O-CG 3.43Å
96	G	98.8	Very high	98.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-128	177.2	0	0	0	0	0	112.3	R59 G60 G98 K125 V127	R59-G96 WeakPolarHBondContact CA-O 3.4Å; R59-G96 WeakPolarHBondContact CG-O 3.49Å; G60-G96 PolarHBondContact N-O 3.14Å; G96-G98 PolarHBondContact O-N 3.19Å; G96-K125 CarbonylContact C-O 3.56Å; G96-K125 WeakPolarHBondContact CA-O 3.39Å; G96-V127 CarbonylContact C-O 3.6Å; G96-V127 WeakPolarHBondContact CA-O 3.26Å
97	R	98.7	Very high	98.8	Very high	68 Å²	68	12.2 Å²	12.2	26%	0.257	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.5	-179.6	69.2	-172.4	-67.8	-99.5	9.1	114.9	R59 A95 K125 M126 V127 N276 G277 E279	R59-R97 PolarHBondContact NE-O 3.25Å; R59-R97 PolarHBondContact NH2-O 3.1Å; A95-R97 PolarHBondContact O-N 2.6Å; R97-K125 PolarHBondContact N-O 2.79Å; R97-M126 HydrophobicContact CB-CE 3.82Å; R97-M126 HydrophobicContact CB-SD 4.35Å; R97-V127 WeakPolarHBondContact CG-O 3.41Å; R97-V127 PolarHBondContact N-O 3.02Å; R97-N276 VanDerWaalsContact CZ-C 3.49Å; R97-G277 VanDerWaalsContact NH1-CA 3.27Å; R97-E279 IonicContact NH1-OE2 2.72Å; R97-E279 IonicContact NH2-OE1 3.96Å; R97-E279 PolarHBondContact NH2-OE1 3.01Å; R97-E279 VanDerWaalsContact NH2-OE1 3.11Å; R97-E279 IonicContact NH2-OE2 3.85Å
98	G	98.8	Very high	98.7	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	9%	0.094	C	C	.	.			trans	153.8	128.7	175.1	0	0	0	0	0	114.4	H58 A95 G96 P129 F278	H58-G98 WeakPolarHBondContact O-CA 3.19Å; A95-G98 CarbonylContact O-C 3.49Å; A95-G98 PolarHBondContact O-N 3.3Å; G96-G98 PolarHBondContact O-N 3.19Å; G98-P129 VanDerWaalsContact O-CG 3.24Å; G98-P129 WeakPolarHBondContact O-CG 3.37Å; G98-F278 VanDerWaalsContact CA-CZ 3.48Å
99	I	98.8	Very high	98.7	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.3	161.9	-75.5	-65.1	0	0	0	108.4	P57 H58 F78 M93 A95 H101 P129 Y131 F278	P57-I99 CarbonylContact C-O 3.51Å; P57-I99 WeakPolarHBondContact CA-O 3.17Å; H58-I99 PolarHBondContact N-O 2.86Å; H58-I99 PolarHBondContact O-N 3.48Å; H58-I99 VanDerWaalsContact O-N 3.08Å; F78-I99 HydrophobicContact CE1-CD1 4Å; M93-I99 HydrophobicContact CE-CB 4.25Å; M93-I99 HydrophobicContact CE-CG1 4.46Å; M93-I99 HydrophobicContact CE-CG2 4.02Å; M93-I99 HydrophobicContact SD-CB 4.35Å; M93-I99 HydrophobicContact SD-CG1 4.17Å; M93-I99 HydrophobicContact SD-CG2 3.86Å; A95-I99 HydrophobicContact CB-CB 4.49Å; A95-I99 HydrophobicContact CB-CG1 4.45Å; I99-H101 HydrophobicContact CG2-CB 3.83Å; I99-P129 HydrophobicContact CD1-CB 3.39Å; I99-P129 HydrophobicContact CD1-CG 3.62Å; I99-P129 HydrophobicContact CG1-CB 3.62Å; I99-P129 HydrophobicContact CG1-CG 3.86Å; I99-Y131 HydrophobicContact CD1-CE2 4.38Å; I99-F278 WeakPolarHBondContact O-CE1 3.12Å
100	L	98.9	Very high	98.7	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.052	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.1	161.5	173	63.5	0	0	0	106.8	D55 H56 P57 D77 F78 F271 A281 W284	D55-L100 HydrophobicContact CB-CD1 4.41Å; H56-L100 VanDerWaalsContact C-CD1 3.42Å; H56-L100 WeakPolarHBondContact O-CD1 3.23Å; P57-L100 HydrophobicContact CB-CD1 4.44Å; D77-L100 WeakPolarHBondContact CA-O 3.26Å; F78-L100 HydrophobicContact CB-CB 4.15Å; F78-L100 HydrophobicContact CD2-CB 3.69Å; F78-L100 HydrophobicContact CE2-CB 4.27Å; F78-L100 HydrophobicContact CG-CB 3.95Å; F78-L100 PolarHBondContact N-O 2.74Å; L100-F271 HydrophobicContact CD1-CE2 4.32Å; L100-F271 HydrophobicContact CD2-CE2 4.46Å; L100-A281 HydrophobicContact CD2-CB 3.68Å; L100-W284 HydrophobicContact CD1-CZ3 4.24Å; L100-W284 HydrophobicContact CD2-CD2 4.49Å; L100-W284 HydrophobicContact CD2-CE3 3.49Å; L100-W284 VanDerWaalsContact CD2-CE3 3.49Å; L100-W284 HydrophobicContact CD2-CZ3 3.93Å; L100-W284 HydrophobicContact CG-CE3 3.65Å; L100-W284 HydrophobicContact CG-CZ3 3.55Å
101	H	98.9	Very high	98.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	169	-175	73.5	158.8	0	0	0	112.6	D55 H56 H58 E76 D77 I99 E103	D55-H101 CarbonylContact C-O 3.58Å; D55-H101 WeakPolarHBondContact CA-O 3.42Å; H56-H101 AromaticContact CE1-CD2 3.67Å; H56-H101 AromaticContact CE1-NE2 3.51Å; H56-H101 PolarHBondContact N-O 3.26Å; H56-H101 PolarHBondContact ND1-O 3.26Å; H56-H101 AromaticContact NE2-CD2 3.67Å; H56-H101 AromaticContact NE2-NE2 3.22Å; H56-H101 PolarHBondContact NE2-NE2 3.3Å; H56-H101 PolarHBondContact O-N 2.89Å; H56-H101 VanDerWaalsContact O-N 3.09Å; H58-H101 AromaticContact CD2-CD2 3.96Å; H58-H101 AromaticContact CD2-NE2 3.31Å; H58-H101 PolarHBondContact CD2-NE2 3.21Å; H58-H101 VanDerWaalsContact CD2-NE2 3.31Å; H58-H101 AromaticContact NE2-NE2 3.33Å; H58-H101 PolarHBondContact NE2-NE2 2.87Å; E76-H101 CarbonylContact O-C 3.56Å; E76-H101 WeakPolarHBondContact O-CA 3.31Å; E76-H101 WeakPolarHBondContact O-CB 3.45Å; D77-H101 HydrophobicContact CB-CB 3.91Å; I99-H101 HydrophobicContact CG2-CB 3.83Å; H101-E103 IonicContact CE1-OE2 2.84Å; H101-E103 PolarHBondContact CE1-OE2 2.87Å; H101-E103 IonicContact NE2-OE2 3.83Å
102	A	98.8	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.5	168.2	0	0	0	0	0	110.1	F53 H75 E76 M104 I288	F53-A102 CarbonylContact O-C 3.57Å; F53-A102 WeakPolarHBondContact O-CA 3.18Å; H75-A102 WeakPolarHBondContact CA-O 3.26Å; E76-A102 PolarHBondContact N-O 2.71Å; E76-A102 VanDerWaalsContact N-O 3.12Å; E76-A102 PolarHBondContact O-N 2.76Å; A102-M104 HydrophobicContact CB-CG 4.4Å; A102-I288 HydrophobicContact CB-CD1 4.04Å; A102-I288 HydrophobicContact CB-CG1 3.84Å
103	E	98.8	Very high	98.7	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.037	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	105.8	177.4	-59.5	178.4	97.1	0	0	108.7	F53 H56 S65 M73 A74 H75 H101 Q115	F53-E103 HydrophobicContact CB-CB 4.28Å; F53-E103 WeakPolarHBondContact CB-O 3.43Å; F53-E103 HydrophobicContact CD2-CB 4.4Å; F53-E103 PolarHBondContact N-O 2.82Å; F53-E103 PolarHBondContact O-N 2.84Å; H56-E103 IonicContact CE1-OE2 3.32Å; H56-E103 IonicContact NE2-OE2 3.98Å; S65-E103 PolarHBondContact OG-OE1 2.97Å; M73-E103 HydrophobicContact CE-CB 4.04Å; A74-E103 CarbonylContact O-C 3.6Å; A74-E103 WeakPolarHBondContact O-CA 3.33Å; H75-E103 HydrophobicContact CB-CG 4.49Å; H101-E103 IonicContact CE1-OE2 2.84Å; H101-E103 PolarHBondContact CE1-OE2 2.87Å; H101-E103 IonicContact NE2-OE2 3.83Å; E103-Q115 PolarHBondContact OE2-NE2 2.61Å; E103-Q115 VanDerWaalsContact OE2-NE2 3.12Å
104	M	98.8	Very high	98.7	Very high	20 Å²	20	27.6 Å²	27.6	10%	0.099	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.5	-166.6	-57.7	-64.4	-67.8	0	0	111.5	F53 P54 A74 A102 C106 I288	F53-M104 PolarHBondContact N-SD 2.79Å; F53-M104 VanDerWaalsContact N-SD 3.4Å; P54-M104 HydrophobicContact CB-SD 4.41Å; A74-M104 PolarHBondContact N-O 2.86Å; A74-M104 PolarHBondContact O-N 2.96Å; A102-M104 HydrophobicContact CB-CG 4.4Å; M104-C106 PolarHBondContact O-N 3.33Å; M104-I288 HydrophobicContact CB-CB 4.36Å; M104-I288 HydrophobicContact CB-CD1 4.21Å; M104-I288 HydrophobicContact CB-CG1 4.41Å; M104-I288 HydrophobicContact CG-CB 4.11Å; M104-I288 HydrophobicContact CG-CD1 3.96Å; M104-I288 HydrophobicContact CG-CG1 3.85Å; M104-I288 WeakPolarHBondContact CG-O 3.41Å
105	P	98.8	Very high	98.7	Very high	12 Å²	12	28.2 Å²	28.2	8%	0.078	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	128.4	165.2	-26	31.8	0	0	0	111.4	G47 R49 G51 S72 M73	G47-P105 WeakPolarHBondContact O-CG 3.33Å; R49-P105 HydrophobicContact CG-CB 4.49Å; R49-P105 WeakPolarHBondContact CG-O 3.44Å; G51-P105 VanDerWaalsContact O-CD 3.23Å; G51-P105 WeakPolarHBondContact O-CD 3.25Å; S72-P105 WeakPolarHBondContact O-CA 3.42Å; M73-P105 HydrophobicContact SD-CB 4.19Å; M73-P105 VanDerWaalsContact SD-CD 3.58Å; M73-P105 HydrophobicContact SD-CG 3.72Å; M73-P105 VanDerWaalsContact SD-N 3.36Å
106	C	98.4	Very high	98.7	Very high	48 Å²	48	28.2 Å²	28.2	32%	0.324	14%	0.144	S	C	.	.			trans	-125.3	6	-171.5	72.1	0	0	0	0	114.4	S72 M73 A74 M104	S72-C106 VanDerWaalsContact CB-SG 3.56Å; S72-C106 PolarHBondContact O-N 2.84Å; M73-C106 VanDerWaalsContact C-SG 3.55Å; A74-C106 HydrophobicContact CB-CB 3.65Å; M104-C106 PolarHBondContact O-N 3.33Å
107	S	98.3	Very high	98.7	Very high	26 Å²	26	29.5 Å²	29.5	18%	0.182	15%	0.149	C	C	.	.	S	Bend	trans	-116	172.5	172.9	61	0	0	0	0	112.1	R49 G71 S72 E109	R49-S107 WeakPolarHBondContact CD-O 3.45Å; G71-S107 WeakPolarHBondContact CA-OG 3.38Å; S72-S107 PolarHBondContact N-OG 3.11Å; S107-E109 PolarHBondContact OG-O 3.29Å
108	E	97.6	Very high	98.7	Very high	161 Å²	161	26.3 Å²	26.3	75%	0.752	14%	0.137	S	C	*	.	S	Bend	trans	-71.6	-34.7	176.1	-61.8	-55.1	118.9	0	0	112.6	R49	R49-E108 IonicContact NH1-OE1 3.59Å; R49-E108 PolarHBondContact NH1-OE1 2.89Å
109	E	98.3	Very high	98.7	Very high	131 Å²	131	26.3 Å²	26.3	61%	0.612	14%	0.137	S	C	*	.	S	Bend	trans	-77.1	144.3	172.2	-65.2	-165.8	176.7	0	0	111	G71 S107 A111	G71-E109 WeakPolarHBondContact CA-O 3.25Å; S107-E109 PolarHBondContact OG-O 3.29Å; E109-A111 PolarHBondContact O-N 2.92Å
110	P	98.4	Very high	98.7	Very high	65 Å²	65	26.2 Å²	26.2	42%	0.422	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-61.1	132.6	171.4	-22.9	33.9	0	0	0	111.6	G47 G71	G47-P110 CarbonylContact O-C 3.6Å; G47-P110 VanDerWaalsContact O-CA 3.3Å; G47-P110 WeakPolarHBondContact O-CA 3.39Å; G71-P110 PolarHBondContact N-O 3.1Å
111	A	98.7	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	146.2	169.3	0	0	0	0	0	110.3	F45 K46 G47 G71 M73 E109	F45-A111 HydrophobicContact CE2-CB 3.93Å; K46-A111 VanDerWaalsContact CA-O 3.28Å; K46-A111 WeakPolarHBondContact CA-O 3.46Å; G47-A111 PolarHBondContact N-O 2.92Å; G47-A111 PolarHBondContact O-N 2.84Å; G71-A111 WeakPolarHBondContact O-CA 3.24Å; M73-A111 HydrophobicContact CG-CB 3.71Å; M73-A111 HydrophobicContact SD-CB 3.66Å; E109-A111 PolarHBondContact O-N 2.92Å
112	H	98.8	Very high	98.7	Very high	27 Å²	27	32.1 Å²	32.1	13%	0.125	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.2	171.5	-178.1	-165.3	0	0	0	107.2	E44 F45 K46 L68	E44-H112 IonicContact OE1-CD2 3.78Å; E44-H112 IonicContact OE1-CE1 3.79Å; E44-H112 PolarHBondContact OE1-CE1 2.94Å; E44-H112 IonicContact OE1-NE2 2.83Å; E44-H112 PolarHBondContact OE1-NE2 2.8Å; F45-H112 WeakPolarHBondContact O-CA 3.4Å; F45-H112 PolarHBondContact O-CD2 2.57Å; K46-H112 HydrophobicContact CG-CB 4.38Å; L68-H112 WeakPolarHBondContact CA-O 3.17Å; L68-H112 HydrophobicContact CB-CB 4.38Å; L68-H112 WeakPolarHBondContact CB-O 3.28Å; L68-H112 PolarHBondContact N-O 2.97Å
113	G	98.8	Very high	98.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	177.5	-176.7	0	0	0	0	0	113.5	E44 F45 Y66	E44-G113 CarbonylContact C-O 3.55Å; E44-G113 WeakPolarHBondContact CA-O 3.47Å; F45-G113 VanDerWaalsContact CD1-C 3.42Å; F45-G113 VanDerWaalsContact CD1-O 3.3Å; F45-G113 WeakPolarHBondContact CD1-O 3.38Å; F45-G113 PolarHBondContact N-O 3.08Å; F45-G113 PolarHBondContact O-N 3.28Å; Y66-G113 CarbonylContact O-C 3.59Å; Y66-G113 WeakPolarHBondContact O-CA 3.45Å
114	L	98.9	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.4	-178.9	-55.9	174	0	0	0	108.7	F42 D43 E44 S65 Y66 L68 Y195 I197 V239	F42-L114 HydrophobicContact CE1-CD2 4.47Å; F42-L114 HydrophobicContact CE2-CB 4.24Å; F42-L114 HydrophobicContact CZ-CB 4.12Å; F42-L114 HydrophobicContact CZ-CD1 4.17Å; F42-L114 HydrophobicContact CZ-CD2 4.08Å; F42-L114 HydrophobicContact CZ-CG 4.35Å; D43-L114 CarbonylContact O-C 3.55Å; D43-L114 WeakPolarHBondContact O-CA 3.32Å; E44-L114 HydrophobicContact CB-CD2 3.78Å; E44-L114 HydrophobicContact CG-CD2 3.97Å; S65-L114 WeakPolarHBondContact CA-O 3.43Å; Y66-L114 HydrophobicContact CD1-CD1 4.38Å; Y66-L114 PolarHBondContact N-O 2.8Å; Y66-L114 PolarHBondContact O-N 3.01Å; L68-L114 HydrophobicContact CD1-CD1 4.42Å; L68-L114 HydrophobicContact CD1-CD2 4.29Å; L68-L114 HydrophobicContact CD1-CG 4.11Å; L68-L114 HydrophobicContact CD2-CD1 4.28Å; L68-L114 HydrophobicContact CG-CG 4.37Å; L114-Y195 HydrophobicContact CD2-CD1 4.41Å; L114-Y195 HydrophobicContact CD2-CE1 4.3Å; L114-I197 HydrophobicContact CD1-CD1 4.12Å; L114-V239 HydrophobicContact CD1-CG1 3.74Å; L114-V239 HydrophobicContact CD1-CG2 4.28Å
115	Q	98.9	Very high	98.7	Very high	14 Å²	14	37.3 Å²	37.3	7%	0.065	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	118.6	174.4	-163.8	167.5	-1	0	0	109.8	F42 D43 V64 E103	F42-Q115 WeakPolarHBondContact CA-O 3.49Å; D43-Q115 PolarHBondContact N-O 3.45Å; D43-Q115 PolarHBondContact O-N 3.1Å; V64-Q115 WeakPolarHBondContact O-CA 3.38Å; E103-Q115 PolarHBondContact OE2-NE2 2.61Å; E103-Q115 VanDerWaalsContact OE2-NE2 3.12Å
116	L	98.9	Very high	98.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.6	177.5	177.1	70	0	0	0	109.5	F39 F42 T63 V64 V118 Y171 F193 I241	F39-L116 HydrophobicContact CB-CD1 4.28Å; F39-L116 HydrophobicContact CD1-CD1 3.79Å; F39-L116 HydrophobicContact CD1-CD2 4.1Å; F39-L116 HydrophobicContact CD1-CG 4.28Å; F39-L116 HydrophobicContact CE1-CD2 4.11Å; F39-L116 HydrophobicContact CG-CD1 4.24Å; F42-L116 HydrophobicContact CB-CD1 4.22Å; F42-L116 HydrophobicContact CD2-CB 3.8Å; F42-L116 HydrophobicContact CD2-CD1 3.64Å; F42-L116 HydrophobicContact CD2-CG 4.31Å; F42-L116 HydrophobicContact CE2-CB 4.16Å; F42-L116 HydrophobicContact CE2-CD1 4.48Å; F42-L116 HydrophobicContact CG-CD1 4.34Å; T63-L116 CarbonylContact C-O 3.6Å; T63-L116 WeakPolarHBondContact CA-O 3.3Å; V64-L116 HydrophobicContact CB-CB 4.26Å; V64-L116 PolarHBondContact N-O 2.64Å; V64-L116 PolarHBondContact O-N 2.56Å; L116-V118 HydrophobicContact CD2-CG2 3.64Å; L116-V118 HydrophobicContact CG-CG2 3.85Å; L116-Y171 HydrophobicContact CB-CE2 4.4Å; L116-Y171 HydrophobicContact CD2-CD2 4.15Å; L116-Y171 HydrophobicContact CD2-CE2 4.18Å; L116-F193 HydrophobicContact CD1-CZ 4.29Å; L116-I241 HydrophobicContact CD2-CD1 4.32Å; L116-I241 HydrophobicContact CD2-CG2 3.97Å
117	W	98.9	Very high	98.7	Very high	27 Å²	27	40.9 Å²	40.9	10%	0.102	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.7	168	-68	9.3	0	0	0	110.1	L40 L41 H58 F61 E62 T63	L40-W117 HydrophobicContact CB-CB 3.89Å; L40-W117 HydrophobicContact CB-CE3 4.47Å; L40-W117 HydrophobicContact CD1-CB 4.48Å; L40-W117 PolarHBondContact N-O 2.97Å; L41-W117 HydrophobicContact CB-CB 3.98Å; L41-W117 HydrophobicContact CB-CD2 3.85Å; L41-W117 HydrophobicContact CB-CE3 4Å; L41-W117 HydrophobicContact CB-CG 3.86Å; L41-W117 HydrophobicContact CD1-CD2 4.33Å; L41-W117 HydrophobicContact CD1-CE3 4.41Å; L41-W117 HydrophobicContact CD1-CH2 4.45Å; L41-W117 HydrophobicContact CD1-CZ2 4.34Å; L41-W117 HydrophobicContact CD1-CZ3 4.48Å; L41-W117 HydrophobicContact CD2-CG 4.38Å; L41-W117 HydrophobicContact CG-CD2 4.46Å; L41-W117 PolarHBondContact O-N 2.81Å; H58-W117 AromaticContact CE1-CZ2 3.51Å; H58-W117 AromaticContact ND1-CZ2 3.91Å; F61-W117 HydrophobicContact CD2-CB 4.08Å; F61-W117 HydrophobicContact CD2-CD2 4.09Å; F61-W117 HydrophobicContact CD2-CE3 4.18Å; F61-W117 HydrophobicContact CD2-CG 4.06Å; F61-W117 HydrophobicContact CE1-CE3 4.33Å; F61-W117 HydrophobicContact CE1-CZ3 4.29Å; F61-W117 HydrophobicContact CE2-CB 4.19Å; F61-W117 AromaticContact CE2-CD2 3.32Å; F61-W117 HydrophobicContact CE2-CD2 3.32Å; F61-W117 AromaticContact CE2-CE2 3.75Å; F61-W117 AromaticContact CE2-CE3 3.44Å; F61-W117 HydrophobicContact CE2-CE3 3.44Å; F61-W117 VanDerWaalsContact CE2-CE3 3.44Å; F61-W117 AromaticContact CE2-CG 3.68Å; F61-W117 HydrophobicContact CE2-CG 3.68Å; F61-W117 HydrophobicContact CE2-CH2 4.34Å; F61-W117 HydrophobicContact CE2-CZ2 4.27Å; F61-W117 AromaticContact CE2-CZ3 3.95Å; F61-W117 HydrophobicContact CE2-CZ3 3.95Å; F61-W117 AromaticContact CZ-CD2 3.84Å; F61-W117 HydrophobicContact CZ-CD2 3.84Å; F61-W117 AromaticContact CZ-CE3 3.52Å; F61-W117 HydrophobicContact CZ-CE3 3.52Å; F61-W117 AromaticContact CZ-CH2 3.9Å; F61-W117 HydrophobicContact CZ-CH2 3.9Å; F61-W117 HydrophobicContact CZ-CZ2 4.21Å; F61-W117 AromaticContact CZ-CZ3 3.54Å; F61-W117 HydrophobicContact CZ-CZ3 3.54Å; E62-W117 CarbonylContact O-C 3.6Å; E62-W117 VanDerWaalsContact O-CA 3.31Å; E62-W117 WeakPolarHBondContact O-CA 3.29Å; T63-W117 HydrophobicContact CG2-CG 4.39Å
118	V	98.9	Very high	98.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	120	178.8	-173	0	0	0	0	108.5	F39 F61 E62 V64 W92 L116 T167	F39-V118 HydrophobicContact CD1-CG2 4.25Å; F39-V118 HydrophobicContact CE1-CG2 4.31Å; F61-V118 WeakPolarHBondContact CB-O 3.33Å; E62-V118 HydrophobicContact CB-CB 4.43Å; E62-V118 PolarHBondContact N-O 2.92Å; E62-V118 PolarHBondContact O-N 2.92Å; V64-V118 HydrophobicContact CG2-CG2 4.16Å; W92-V118 HydrophobicContact CZ2-CG2 4.5Å; L116-V118 HydrophobicContact CD2-CG2 3.64Å; L116-V118 HydrophobicContact CG-CG2 3.85Å; V118-T167 HydrophobicContact CG1-CG2 4.03Å
119	N	98.9	Very high	98.8	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	150.3	-179.5	-160.2	13.9	0	0	0	111.2	P38 L40 K125 T167 L246	P38-N119 VanDerWaalsContact O-CB 3.26Å; P38-N119 WeakPolarHBondContact O-CB 2.98Å; P38-N119 PolarHBondContact O-N 2.95Å; L40-N119 HydrophobicContact CD1-CB 3.73Å; L40-N119 HydrophobicContact CD2-CB 3.97Å; L40-N119 HydrophobicContact CG-CB 3.83Å; N119-K125 PolarHBondContact OD1-NZ 3.4Å; N119-T167 WeakPolarHBondContact O-CB 3.39Å; N119-T167 PolarHBondContact O-OG1 2.52Å; N119-L246 HydrophobicContact CB-CD1 3.72Å
120	L	98.9	Very high	98.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-102.8	146	169.8	-70	168.8	0	0	0	110.4	E62 T94 E124 K125 R166 L246	E62-L120 HydrophobicContact CG-CD1 4.18Å; E62-L120 HydrophobicContact CG-CD2 3.77Å; E62-L120 HydrophobicContact CG-CG 3.9Å; T94-L120 HydrophobicContact CG2-CD1 3.9Å; L120-E124 HydrophobicContact CB-CB 4.35Å; L120-E124 HydrophobicContact CD2-CB 4.39Å; L120-K125 HydrophobicContact CB-CG 4.24Å; L120-K125 WeakPolarHBondContact O-CE 3.18Å; L120-K125 PolarHBondContact O-NZ 3.07Å; L120-R166 HydrophobicContact CD2-CB 3.65Å; L120-R166 HydrophobicContact CD2-CG 4.36Å; L120-L246 VanDerWaalsContact C-CD1 3.47Å
121	R	98.9	Very high	98.9	Very high	80 Å²	80	38 Å²	38	30%	0.302	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-61.1	152.5	169.5	72.5	-173.5	80.5	-135.8	-1.9	110.6	S123 E124 K125 R166 L246 E248	R121-S123 VanDerWaalsContact C-N 3.25Å; R121-S123 WeakPolarHBondContact CD-OG 3.47Å; R121-S123 WeakPolarHBondContact CG-OG 3.33Å; R121-S123 PolarHBondContact O-N 2.92Å; R121-S123 VanDerWaalsContact O-N 3.1Å; R121-E124 WeakPolarHBondContact CD-OE2 3.42Å; R121-E124 HydrophobicContact CG-CB 4.06Å; R121-E124 HydrophobicContact CG-CG 3.82Å; R121-E124 WeakPolarHBondContact CG-OE2 3.3Å; R121-E124 IonicContact NE-OE2 3.11Å; R121-E124 PolarHBondContact NE-OE2 2.92Å; R121-E124 PolarHBondContact O-N 2.87Å; R121-K125 PolarHBondContact O-N 2.87Å; R121-R166 PolarHBondContact NH2-O 3.27Å; R121-L246 HydrophobicContact CB-CD2 4.11Å; R121-E248 WeakPolarHBondContact CA-OE2 3.32Å
122	S	98.8	Very high	98.9	Very high	54 Å²	54	39.4 Å²	39.4	38%	0.378	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-48.2	-45.2	-174.8	-177.5	0	0	0	0	113.3	E124 K125 E248 N259	S122-E124 PolarHBondContact O-N 3.01Å; S122-E124 VanDerWaalsContact O-N 3.11Å; S122-K125 PolarHBondContact O-N 2.77Å; S122-E248 PolarHBondContact N-OE1 3.44Å; S122-E248 PolarHBondContact N-OE2 3.1Å; S122-N259 VanDerWaalsContact CA-OD1 3.26Å; S122-N259 WeakPolarHBondContact CA-OD1 3.23Å; S122-N259 WeakPolarHBondContact CB-OD1 3.42Å; S122-N259 PolarHBondContact OG-OD1 3.01Å
123	S	98.8	Very high	98.9	Very high	102 Å²	102	41.6 Å²	41.6	71%	0.713	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-65	-15.5	-179.5	63.4	0	0	0	0	114.8	R121	R121-S123 VanDerWaalsContact C-N 3.25Å; R121-S123 WeakPolarHBondContact CD-OG 3.47Å; R121-S123 WeakPolarHBondContact CG-OG 3.33Å; R121-S123 PolarHBondContact O-N 2.92Å; R121-S123 VanDerWaalsContact O-N 3.1Å
124	E	98.9	Very high	98.9	Very high	34 Å²	34	42.4 Å²	42.4	16%	0.159	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-111.1	-6.7	-177.1	-64.2	-177.8	127	0	0	113	L120 R121 S122 M126 V127	L120-E124 HydrophobicContact CB-CB 4.35Å; L120-E124 HydrophobicContact CD2-CB 4.39Å; R121-E124 WeakPolarHBondContact CD-OE2 3.42Å; R121-E124 HydrophobicContact CG-CB 4.06Å; R121-E124 HydrophobicContact CG-CG 3.82Å; R121-E124 WeakPolarHBondContact CG-OE2 3.3Å; R121-E124 IonicContact NE-OE2 3.11Å; R121-E124 PolarHBondContact NE-OE2 2.92Å; R121-E124 PolarHBondContact O-N 2.87Å; S122-E124 PolarHBondContact O-N 3.01Å; S122-E124 VanDerWaalsContact O-N 3.11Å; E124-M126 PolarHBondContact O-N 2.95Å; E124-M126 VanDerWaalsContact O-N 3.1Å; E124-V127 HydrophobicContact CB-CG1 4.33Å; E124-V127 WeakPolarHBondContact O-CG1 3.23Å; E124-V127 VanDerWaalsContact O-CG2 3.24Å; E124-V127 WeakPolarHBondContact O-CG2 3.43Å; E124-V127 PolarHBondContact O-N 2.88Å
125	K	98.9	Very high	98.9	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-21.2	-176.2	-71	-168.1	171.6	-73.5	0	114.7	G60 G96 R97 N119 L120 R121 S122 V257 M258 N259	G60-K125 PolarHBondContact O-NZ 3.16Å; G96-K125 CarbonylContact C-O 3.56Å; G96-K125 WeakPolarHBondContact CA-O 3.39Å; R97-K125 PolarHBondContact N-O 2.79Å; N119-K125 PolarHBondContact OD1-NZ 3.4Å; L120-K125 HydrophobicContact CB-CG 4.24Å; L120-K125 WeakPolarHBondContact O-CE 3.18Å; L120-K125 PolarHBondContact O-NZ 3.07Å; R121-K125 PolarHBondContact O-N 2.87Å; S122-K125 PolarHBondContact O-N 2.77Å; K125-V257 PolarHBondContact NZ-O 2.84Å; K125-M258 HydrophobicContact CB-CE 4.02Å; K125-M258 HydrophobicContact CD-CE 3.98Å; K125-M258 HydrophobicContact CD-SD 4.19Å; K125-N259 VanDerWaalsContact CD-OD1 3.31Å; K125-N259 WeakPolarHBondContact CD-OD1 3.2Å; K125-N259 VanDerWaalsContact CE-OD1 3.23Å; K125-N259 WeakPolarHBondContact CE-OD1 3.44Å
126	M	98.8	Very high	98.9	Very high	90 Å²	90	49.1 Å²	49.1	44%	0.443	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.7	16.5	-176.4	-63.2	-59.3	-66.9	0	0	113.6	R59 R97 E124 M258	R59-M126 HydrophobicContact CG-SD 4.47Å; R97-M126 HydrophobicContact CB-CE 3.82Å; R97-M126 HydrophobicContact CB-SD 4.35Å; E124-M126 PolarHBondContact O-N 2.95Å; E124-M126 VanDerWaalsContact O-N 3.1Å; M126-M258 HydrophobicContact SD-CE 4.19Å
127	V	98.9	Very high	98.8	Very high	44 Å²	44	57 Å²	57	27%	0.267	29%	0.288	S	S	.	.	S	Bend	trans	-63.7	161.1	172.4	-60.9	0	0	0	0	111.4	T94 G96 R97 E124	T94-V127 HydrophobicContact CG2-CG2 4.02Å; G96-V127 CarbonylContact C-O 3.6Å; G96-V127 WeakPolarHBondContact CA-O 3.26Å; R97-V127 WeakPolarHBondContact CG-O 3.41Å; R97-V127 PolarHBondContact N-O 3.02Å; E124-V127 HydrophobicContact CB-CG1 4.33Å; E124-V127 WeakPolarHBondContact O-CG1 3.23Å; E124-V127 VanDerWaalsContact O-CG2 3.24Å; E124-V127 WeakPolarHBondContact O-CG2 3.43Å; E124-V127 PolarHBondContact O-N 2.88Å
128	E	98.8	Very high	98.8	Very high	157 Å²	157	59.5 Å²	59.5	73%	0.734	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-62.7	144.4	169.2	-66.7	-170	156.2	0	0	110.8
129	P	98.8	Very high	98.8	Very high	46 Å²	46	59.8 Å²	59.8	30%	0.299	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-60.8	148.8	178	-20.5	30.9	0	0	0	112.9	T94 A95 G98 I99	T94-P129 CarbonylContact O-C 3.49Å; T94-P129 WeakPolarHBondContact O-CA 3.23Å; A95-P129 WeakPolarHBondContact O-CG 3.43Å; G98-P129 VanDerWaalsContact O-CG 3.24Å; G98-P129 WeakPolarHBondContact O-CG 3.37Å; I99-P129 HydrophobicContact CD1-CB 3.39Å; I99-P129 HydrophobicContact CD1-CG 3.62Å; I99-P129 HydrophobicContact CG1-CB 3.62Å; I99-P129 HydrophobicContact CG1-CG 3.86Å
130	Q	98.9	Very high	98.8	Very high	73 Å²	73	61.5 Å²	61.5	34%	0.341	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	144.4	177.6	-173.8	-173.4	5.1	0	0	110.8	M93 T94	M93-Q130 CarbonylContact C-O 3.5Å; M93-Q130 WeakPolarHBondContact CA-O 3.36Å; T94-Q130 PolarHBondContact N-O 2.72Å; T94-Q130 PolarHBondContact O-N 3.34Å
131	Y	98.8	Very high	98.8	Very high	47 Å²	47	65.7 Å²	65.7	18%	0.184	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139.9	168.9	-68	-90.8	0	0	0	111.2	H81 Q91 M93 I99	H81-Y131 AromaticContact CD2-CD2 3.74Å; H81-Y131 AromaticContact CD2-CE2 3.77Å; H81-Y131 AromaticContact CD2-CG 3.9Å; H81-Y131 AromaticContact CD2-CZ 3.96Å; H81-Y131 AromaticContact NE2-CG 3.92Å; Q91-Y131 HydrophobicContact CG-CD1 3.95Å; Q91-Y131 HydrophobicContact CG-CE1 4.38Å; M93-Y131 HydrophobicContact CB-CD1 3.97Å; M93-Y131 HydrophobicContact CB-CE1 3.79Å; M93-Y131 HydrophobicContact CG-CD1 3.91Å; M93-Y131 HydrophobicContact CG-CE1 3.39Å; M93-Y131 HydrophobicContact CG-CE2 4.44Å; M93-Y131 HydrophobicContact SD-CD1 4.5Å; M93-Y131 HydrophobicContact SD-CE1 3.45Å; M93-Y131 WeakPolarHBondContact SD-CE1 3.09Å; M93-Y131 VanDerWaalsContact SD-CZ 3.54Å; M93-Y131 PolarHBondContact SD-OH 3.45Å; I99-Y131 HydrophobicContact CD1-CE2 4.38Å
132	Q	98.8	Very high	98.8	Very high	29 Å²	29	63.1 Å²	63.1	14%	0.136	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	106.2	160.6	-59.9	171.5	85.7	0	0	107.2	W92 Y164	W92-Q132 HydrophobicContact CB-CB 4.23Å; W92-Q132 PolarHBondContact N-O 3.01Å; W92-Q132 PolarHBondContact O-N 2.67Å; Q132-Y164 PolarHBondContact NE2-O 2.81Å
133	E	98.9	Very high	98.8	Very high	74 Å²	74	64.6 Å²	64.6	35%	0.346	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.8	-177.1	-71.8	168.4	171.8	0	0	109.1	H75 H81 L90 Q91	H75-E133 IonicContact CE1-OE1 3.68Å; H75-E133 PolarHBondContact CE1-OE1 2.99Å; H75-E133 IonicContact ND1-OE1 3.59Å; H75-E133 IonicContact NE2-OE1 3.55Å; H75-E133 PolarHBondContact NE2-OE1 3.15Å; H81-E133 IonicContact CD2-OE1 3.26Å; H81-E133 IonicContact CE1-OE1 3.79Å; H81-E133 IonicContact CE1-OE2 3.76Å; H81-E133 PolarHBondContact CE1-OE2 3.28Å; H81-E133 IonicContact NE2-OE1 2.86Å; H81-E133 PolarHBondContact NE2-OE1 2.75Å; H81-E133 IonicContact NE2-OE2 2.73Å; H81-E133 PolarHBondContact NE2-OE2 3.18Å; L90-E133 WeakPolarHBondContact O-CA 3.45Å; Q91-E133 HydrophobicContact CB-CG 4.23Å; Q91-E133 HydrophobicContact CG-CG 3.96Å; Q91-E133 PolarHBondContact NE2-OE1 2.8Å
134	L	98.8	Very high	98.8	Very high	16 Å²	16	67.5 Å²	67.5	8%	0.084	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.7	178.4	-60.5	-174.9	0	0	0	109.5	L90 E138 I139 K162 V163	L90-L134 HydrophobicContact CB-CB 4.37Å; L90-L134 HydrophobicContact CD2-CD1 4.25Å; L90-L134 HydrophobicContact CD2-CG 4.49Å; L90-L134 PolarHBondContact N-O 3.41Å; L90-L134 PolarHBondContact O-N 2.95Å; L134-E138 HydrophobicContact CB-CB 4.34Å; L134-E138 HydrophobicContact CD2-CB 4.38Å; L134-I139 HydrophobicContact CB-CD1 4.47Å; L134-I139 HydrophobicContact CB-CG1 3.94Å; L134-I139 HydrophobicContact CD1-CG1 4.32Å; L134-K162 HydrophobicContact CD1-CG 4.27Å; L134-K162 HydrophobicContact CD2-CD 4.38Å; L134-V163 HydrophobicContact CD1-CG2 3.64Å
135	K	98.8	Very high	98.7	Very high	122 Å²	122	72.4 Å²	72.4	53%	0.53	36%	0.358	S	S	.	.			trans	-70.3	157	166.1	-66.3	-175.7	180	-179.5	0	110.2	D89 E137 E138 I139	D89-K135 VanDerWaalsContact OD1-CA 3.28Å; D89-K135 WeakPolarHBondContact OD1-CA 3.46Å; K135-E137 HydrophobicContact CB-CG 4Å; K135-E137 PolarHBondContact O-N 3.14Å; K135-E137 VanDerWaalsContact O-N 3.15Å; K135-E138 HydrophobicContact CB-CG 4.5Å; K135-E138 PolarHBondContact N-OE2 2.95Å; K135-E138 WeakPolarHBondContact O-CA 3.35Å; K135-E138 WeakPolarHBondContact O-CB 3.33Å; K135-E138 PolarHBondContact O-N 3.4Å; K135-I139 PolarHBondContact O-N 3.43Å
136	S	98.7	Very high	98.7	Very high	33 Å²	33	73.6 Å²	73.6	23%	0.231	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-50.9	-41.7	176.6	-174.2	0	0	0	0	112	G88 D89 E138 I139 K141	G88-S136 WeakPolarHBondContact O-CA 3.5Å; G88-S136 WeakPolarHBondContact O-CB 3.25Å; D89-S136 PolarHBondContact OD1-N 2.79Å; S136-E138 PolarHBondContact O-N 2.89Å; S136-E138 VanDerWaalsContact O-N 3.14Å; S136-I139 PolarHBondContact O-N 3.24Å; S136-I139 VanDerWaalsContact O-N 3.11Å; S136-K141 PolarHBondContact O-NZ 2.92Å; S136-K141 PolarHBondContact OG-NZ 2.83Å
137	E	98.4	Very high	98.7	Very high	167 Å²	167	69.5 Å²	69.5	78%	0.78	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-61.4	-21.7	178	63.8	-169.1	-167.5	0	0	114.5	K135	K135-E137 HydrophobicContact CB-CG 4Å; K135-E137 PolarHBondContact O-N 3.14Å; K135-E137 VanDerWaalsContact O-N 3.15Å
138	E	98.6	Very high	98.7	Very high	79 Å²	79	69.7 Å²	69.7	37%	0.369	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-92.7	-16.9	178.2	-57.5	178.8	78.3	0	0	113.3	L134 K135 S136 P140 K162	L134-E138 HydrophobicContact CB-CB 4.34Å; L134-E138 HydrophobicContact CD2-CB 4.38Å; K135-E138 HydrophobicContact CB-CG 4.5Å; K135-E138 PolarHBondContact N-OE2 2.95Å; K135-E138 WeakPolarHBondContact O-CA 3.35Å; K135-E138 WeakPolarHBondContact O-CB 3.33Å; K135-E138 PolarHBondContact O-N 3.4Å; S136-E138 PolarHBondContact O-N 2.89Å; S136-E138 VanDerWaalsContact O-N 3.14Å; E138-P140 WeakPolarHBondContact O-CD 3.33Å; E138-K162 IonicContact OE1-NZ 2.66Å; E138-K162 PolarHBondContact OE1-NZ 3.44Å
139	I	98.9	Very high	98.7	Very high	5 Å²	5	62.2 Å²	62.2	3%	0.026	32%	0.317	C	S	.	.	S	Bend	trans	-82.7	117.1	176.7	-58.4	-179.4	0	0	0	108.4	Y66 G88 L90 L134 K135 S136 K141 A150	Y66-I139 HydrophobicContact CE2-CD1 4.2Å; G88-I139 VanDerWaalsContact O-CD1 3.23Å; G88-I139 WeakPolarHBondContact O-CD1 3.23Å; L90-I139 HydrophobicContact CB-CD1 3.59Å; L90-I139 HydrophobicContact CD2-CD1 4.42Å; L134-I139 HydrophobicContact CB-CD1 4.47Å; L134-I139 HydrophobicContact CB-CG1 3.94Å; L134-I139 HydrophobicContact CD1-CG1 4.32Å; K135-I139 PolarHBondContact O-N 3.43Å; S136-I139 PolarHBondContact O-N 3.24Å; S136-I139 VanDerWaalsContact O-N 3.11Å; I139-K141 PolarHBondContact O-N 2.93Å; I139-K141 PolarHBondContact O-NZ 3.11Å; I139-A150 HydrophobicContact CG2-CB 4.13Å
140	P	98.8	Very high	98.7	Very high	38 Å²	38	60.3 Å²	60.3	25%	0.247	31%	0.305	C	S	.	.			trans	-61.9	133.1	-178.8	-19.7	31.4	0	0	0	111.6	E138 P142 A150 V151 I159	E138-P140 WeakPolarHBondContact O-CD 3.33Å; P140-P142 WeakPolarHBondContact O-CD 3.33Å; P140-A150 CarbonylContact O-C 3.41Å; P140-A150 WeakPolarHBondContact O-CA 3.48Å; P140-V151 PolarHBondContact O-N 2.96Å; P140-I159 HydrophobicContact CB-CG2 3.54Å; P140-I159 HydrophobicContact CG-CG2 3.91Å
141	K	98.8	Very high	98.7	Very high	88 Å²	88	56.8 Å²	56.8	38%	0.383	29%	0.289	S	S	.	.			trans	-123.4	57.8	178.5	-63.1	177	-175	67.9	0	112.2	S136 I139 V149 A150	S136-K141 PolarHBondContact O-NZ 2.92Å; S136-K141 PolarHBondContact OG-NZ 2.83Å; I139-K141 PolarHBondContact O-N 2.93Å; I139-K141 PolarHBondContact O-NZ 3.11Å; K141-V149 CarbonylContact C-O 3.53Å; K141-V149 VanDerWaalsContact CA-O 3.29Å; K141-V149 WeakPolarHBondContact CA-O 3.43Å; K141-A150 HydrophobicContact CG-CB 3.9Å
142	P	98.8	Very high	98.7	Very high	26 Å²	26	54.6 Å²	54.6	17%	0.169	28%	0.28	C	S	.	.			trans	-59.2	148.3	178.3	27.4	-36.7	0	0	0	111.4	P140 V149 V151 L157 I159	P140-P142 WeakPolarHBondContact O-CD 3.33Å; P142-V149 VanDerWaalsContact CD-O 3.23Å; P142-V149 WeakPolarHBondContact CD-O 3.45Å; P142-V149 HydrophobicContact CG-CG1 3.93Å; P142-V149 PolarHBondContact O-N 3.18Å; P142-V149 VanDerWaalsContact O-N 3.08Å; P142-V151 HydrophobicContact CG-CG2 4.09Å; P142-L157 HydrophobicContact CB-CB 4.02Å; P142-L157 HydrophobicContact CB-CD1 4.05Å; P142-L157 HydrophobicContact CG-CB 4.05Å; P142-L157 HydrophobicContact CG-CD1 4.24Å; P142-I159 HydrophobicContact CB-CG1 4.06Å; P142-I159 HydrophobicContact CG-CB 4.25Å; P142-I159 HydrophobicContact CG-CG1 4.06Å
143	S	98.8	Very high	98.7	Very high	85 Å²	85	53.2 Å²	53.2	59%	0.594	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	147.7	175.6	61.6	0	0	0	0	111.8	V147 T148	S143-V147 CarbonylContact C-O 3.42Å; S143-V147 WeakPolarHBondContact CA-O 3.44Å; S143-V147 VanDerWaalsContact CB-O 3.3Å; S143-V147 WeakPolarHBondContact CB-O 3.38Å; S143-T148 WeakPolarHBondContact CB-OG1 3.48Å
144	R	98.2	Very high	98.7	Very high	163 Å²	163	51.2 Å²	51.2	62%	0.615	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-160.4	137.4	177	-179.6	177.1	-68.4	178.1	-0.2	109.2	G146 V147 L157	R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 3.47Å; R144-V147 PolarHBondContact N-O 3.4Å; R144-V147 WeakPolarHBondContact O-CA 3.28Å; R144-V147 VanDerWaalsContact O-CB 3.25Å; R144-V147 WeakPolarHBondContact O-CB 3.22Å; R144-V147 PolarHBondContact O-N 2.88Å; R144-L157 HydrophobicContact CB-CD1 4.42Å
145	D	98.1	Very high	98.7	Very high	137 Å²	137	54.3 Å²	54.3	73%	0.733	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	43.6	170.7	-53.5	-31.6	0	0	0	114.7	V147	D145-V147 PolarHBondContact O-N 3.47Å
146	G	98.6	Very high	98.7	Very high	26 Å²	26	48.6 Å²	48.6	27%	0.268	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	4.7	-179.3	0	0	0	0	0	115	R144 D177 A180	R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 3.47Å; G146-D177 PolarHBondContact O-N 2.84Å; G146-A180 WeakPolarHBondContact O-CB 3.35Å
147	V	98.9	Very high	98.7	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.024	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.6	174	-175	0	0	0	0	108.3	S143 R144 D145 F174 L176 A180 H182	S143-V147 CarbonylContact C-O 3.42Å; S143-V147 WeakPolarHBondContact CA-O 3.44Å; S143-V147 VanDerWaalsContact CB-O 3.3Å; S143-V147 WeakPolarHBondContact CB-O 3.38Å; R144-V147 PolarHBondContact N-O 3.4Å; R144-V147 WeakPolarHBondContact O-CA 3.28Å; R144-V147 VanDerWaalsContact O-CB 3.25Å; R144-V147 WeakPolarHBondContact O-CB 3.22Å; R144-V147 PolarHBondContact O-N 2.88Å; D145-V147 PolarHBondContact O-N 3.47Å; V147-F174 HydrophobicContact CG1-CD1 3.91Å; V147-F174 HydrophobicContact CG1-CE1 3.92Å; V147-L176 HydrophobicContact CB-CD2 4.14Å; V147-L176 HydrophobicContact CG1-CD2 3.76Å; V147-L176 HydrophobicContact CG2-CD2 3.93Å; V147-A180 HydrophobicContact CG2-CB 4.28Å; V147-H182 HydrophobicContact CG1-CB 4.12Å; V147-H182 HydrophobicContact CG2-CB 3.92Å
148	T	98.9	Very high	98.7	Very high	49 Å²	49	44.3 Å²	44.3	30%	0.301	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.5	166.6	-58.4	0	0	0	0	108.8	S143 F174 K175	S143-T148 WeakPolarHBondContact CB-OG1 3.48Å; T148-F174 WeakPolarHBondContact O-CA 3.34Å; T148-K175 PolarHBondContact N-O 3.29Å; T148-K175 PolarHBondContact O-N 3.43Å
149	V	98.9	Very high	98.7	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	124	-179.8	61.1	0	0	0	0	111.1	K141 P142 V151 A156 L157 L172 D173 F174	K141-V149 CarbonylContact C-O 3.53Å; K141-V149 VanDerWaalsContact CA-O 3.29Å; K141-V149 WeakPolarHBondContact CA-O 3.43Å; P142-V149 VanDerWaalsContact CD-O 3.23Å; P142-V149 WeakPolarHBondContact CD-O 3.45Å; P142-V149 HydrophobicContact CG-CG1 3.93Å; P142-V149 PolarHBondContact O-N 3.18Å; P142-V149 VanDerWaalsContact O-N 3.08Å; V149-V151 HydrophobicContact CG1-CG2 4.46Å; V149-A156 HydrophobicContact CG1-CB 3.8Å; V149-A156 HydrophobicContact CG2-CB 4.16Å; V149-L157 HydrophobicContact CG1-CD1 3.79Å; V149-L157 HydrophobicContact CG1-CG 4.06Å; V149-L172 HydrophobicContact CG2-CB 3.72Å; V149-L172 HydrophobicContact CG2-CD1 4.43Å; V149-L172 HydrophobicContact CG2-CD2 4.03Å; V149-L172 HydrophobicContact CG2-CG 4.27Å; V149-D173 CarbonylContact C-O 3.43Å; V149-D173 VanDerWaalsContact CA-O 3.25Å; V149-D173 WeakPolarHBondContact CA-O 3.31Å; V149-F174 HydrophobicContact CB-CD1 3.87Å; V149-F174 HydrophobicContact CB-CE1 3.73Å; V149-F174 HydrophobicContact CB-CG 4.45Å; V149-F174 HydrophobicContact CB-CZ 4.2Å; V149-F174 HydrophobicContact CG1-CE1 4.42Å; V149-F174 HydrophobicContact CG2-CD1 4.01Å; V149-F174 HydrophobicContact CG2-CD2 4.15Å; V149-F174 HydrophobicContact CG2-CE1 3.78Å; V149-F174 HydrophobicContact CG2-CE2 3.93Å; V149-F174 HydrophobicContact CG2-CG 4.2Å; V149-F174 HydrophobicContact CG2-CZ 3.73Å
150	A	98.9	Very high	98.7	Very high	5 Å²	5	50.7 Å²	50.7	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.6	166	0	0	0	0	0	109.2	I139 P140 K141 I152 L172 D173	I139-A150 HydrophobicContact CG2-CB 4.13Å; P140-A150 CarbonylContact O-C 3.41Å; P140-A150 WeakPolarHBondContact O-CA 3.48Å; K141-A150 HydrophobicContact CG-CB 3.9Å; A150-I152 PolarHBondContact O-N 3Å; A150-L172 WeakPolarHBondContact O-CA 3.44Å; A150-D173 HydrophobicContact CB-CB 4.11Å; A150-D173 PolarHBondContact N-O 2.93Å; A150-D173 PolarHBondContact O-N 2.91Å
151	V	98.9	Very high	98.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	83.9	-177.1	-168.3	0	0	0	0	109.1	P140 P142 V149 A156 S161 L172	P140-V151 PolarHBondContact O-N 2.96Å; P142-V151 HydrophobicContact CG-CG2 4.09Å; V149-V151 HydrophobicContact CG1-CG2 4.46Å; V151-A156 HydrophobicContact CG2-CB 4.09Å; V151-S161 WeakPolarHBondContact O-CB 3.34Å; V151-L172 HydrophobicContact CB-CD2 4.3Å; V151-L172 HydrophobicContact CG1-CD2 3.92Å; V151-L172 HydrophobicContact CG2-CD2 4.33Å
152	I	98.9	Very high	98.7	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	-53.4	-179.5	-65	162.4	0	0	0	109.5	Y66 L90 W92 A150 S161 V163 Y171 D173	Y66-I152 HydrophobicContact CD1-CD1 3.87Å; Y66-I152 HydrophobicContact CD2-CD1 3.93Å; Y66-I152 HydrophobicContact CD2-CG1 4.24Å; Y66-I152 HydrophobicContact CE1-CD1 3.97Å; Y66-I152 HydrophobicContact CE2-CD1 4.04Å; Y66-I152 HydrophobicContact CE2-CG1 4.18Å; Y66-I152 HydrophobicContact CG-CD1 3.84Å; L90-I152 HydrophobicContact CD1-CG2 3.59Å; L90-I152 HydrophobicContact CD2-CG2 3.77Å; L90-I152 HydrophobicContact CG-CG2 4.3Å; W92-I152 HydrophobicContact CZ3-CG2 4.32Å; A150-I152 PolarHBondContact O-N 3Å; I152-S161 WeakPolarHBondContact O-CB 3.47Å; I152-S161 PolarHBondContact O-OG 2.88Å; I152-V163 WeakPolarHBondContact O-CG2 3.37Å; I152-Y171 HydrophobicContact CB-CD1 4.47Å; I152-Y171 HydrophobicContact CB-CD2 4.49Å; I152-Y171 HydrophobicContact CB-CG 4.09Å; I152-Y171 VanDerWaalsContact CB-O 3.31Å; I152-Y171 WeakPolarHBondContact CB-O 3.45Å; I152-Y171 HydrophobicContact CD1-CD1 3.63Å; I152-Y171 HydrophobicContact CD1-CD2 4.34Å; I152-Y171 HydrophobicContact CD1-CE1 3.64Å; I152-Y171 HydrophobicContact CD1-CE2 4.37Å; I152-Y171 HydrophobicContact CD1-CG 3.99Å; I152-Y171 HydrophobicContact CG2-CD2 3.91Å; I152-Y171 HydrophobicContact CG2-CG 4Å; I152-Y171 PolarHBondContact N-O 2.86Å; I152-D173 HydrophobicContact CD1-CB 4.31Å
153	S	98.9	Very high	98.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	156.8	169.7	69.8	0	0	0	0	111.3	T169 Y171	S153-T169 WeakPolarHBondContact CB-O 3.33Å; S153-T169 PolarHBondContact OG-O 2.77Å; S153-Y171 PolarHBondContact N-O 2.97Å; S153-Y171 VanDerWaalsContact N-O 3.14Å; S153-Y171 PolarHBondContact O-N 3.16Å; S153-Y171 WeakPolarHBondContact OG-CB 3.28Å; S153-Y171 PolarHBondContact OG-N 2.89Å
154	G	98.7	Very high	98.7	Very high	32 Å²	32	53.8 Å²	53.8	33%	0.33	28%	0.282	S	S	.	.	S	Bend	trans	82.5	-140.7	-176.6	0	0	0	0	0	113.1	K160 S161	G154-K160 WeakPolarHBondContact O-CA 3.22Å; G154-S161 PolarHBondContact O-N 3.27Å
155	E	98.9	Very high	98.7	Very high	81 Å²	81	47.3 Å²	47.3	38%	0.379	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.5	-172.7	-170.2	179.8	166.3	0	0	112.2	I159 K160 Q184	E155-I159 WeakPolarHBondContact CA-O 3.47Å; E155-I159 WeakPolarHBondContact CG-O 3.41Å; E155-K160 HydrophobicContact CB-CG 3.92Å; E155-K160 HydrophobicContact CG-CG 3.67Å; E155-K160 WeakPolarHBondContact OE2-CE 3.38Å; E155-K160 IonicContact OE2-NZ 3.53Å; E155-Q184 PolarHBondContact O-NE2 3.23Å
156	A	98.7	Very high	98.7	Very high	3 Å²	3	42.5 Å²	42.5	3%	0.025	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	148.1	166	0	0	0	0	0	110.7	V149 V151 G158 I159 L172	V149-A156 HydrophobicContact CG1-CB 3.8Å; V149-A156 HydrophobicContact CG2-CB 4.16Å; V151-A156 HydrophobicContact CG2-CB 4.09Å; A156-G158 PolarHBondContact O-N 3.34Å; A156-G158 VanDerWaalsContact O-N 3.09Å; A156-I159 PolarHBondContact N-O 3.03Å; A156-I159 PolarHBondContact O-N 2.8Å; A156-L172 HydrophobicContact CB-CD1 3.87Å; A156-L172 HydrophobicContact CB-CD2 3.76Å; A156-L172 HydrophobicContact CB-CG 4.47Å
157	L	98.3	Very high	98.7	Very high	50 Å²	50	41.2 Å²	41.2	26%	0.262	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	33.2	-179.5	-58.1	-179.6	0	0	0	114	P142 R144 V149 I159	P142-L157 HydrophobicContact CB-CB 4.02Å; P142-L157 HydrophobicContact CB-CD1 4.05Å; P142-L157 HydrophobicContact CG-CB 4.05Å; P142-L157 HydrophobicContact CG-CD1 4.24Å; R144-L157 HydrophobicContact CB-CD1 4.42Å; V149-L157 HydrophobicContact CG1-CD1 3.79Å; V149-L157 HydrophobicContact CG1-CG 4.06Å; L157-I159 VanDerWaalsContact C-N 3.29Å; L157-I159 PolarHBondContact O-N 2.97Å
158	G	98.3	Very high	98.7	Very high	59 Å²	59	42.6 Å²	42.6	61%	0.608	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	7.9	179.7	0	0	0	0	0	115.1	A156	A156-G158 PolarHBondContact O-N 3.34Å; A156-G158 VanDerWaalsContact O-N 3.09Å
159	I	98.7	Very high	98.7	Very high	73 Å²	73	40.3 Å²	40.3	37%	0.374	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.7	178.7	-51.9	-61.3	0	0	0	109.7	P140 P142 E155 A156 L157	P140-I159 HydrophobicContact CB-CG2 3.54Å; P140-I159 HydrophobicContact CG-CG2 3.91Å; P142-I159 HydrophobicContact CB-CG1 4.06Å; P142-I159 HydrophobicContact CG-CB 4.25Å; P142-I159 HydrophobicContact CG-CG1 4.06Å; E155-I159 WeakPolarHBondContact CA-O 3.47Å; E155-I159 WeakPolarHBondContact CG-O 3.41Å; A156-I159 PolarHBondContact N-O 3.03Å; A156-I159 PolarHBondContact O-N 2.8Å; L157-I159 VanDerWaalsContact C-N 3.29Å; L157-I159 PolarHBondContact O-N 2.97Å
160	K	98.7	Very high	98.7	Very high	146 Å²	146	40.7 Å²	40.7	64%	0.635	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	137	178.4	-69.2	-177.7	174	-179.6	0	111.1	G154 E155	G154-K160 WeakPolarHBondContact O-CA 3.22Å; E155-K160 HydrophobicContact CB-CG 3.92Å; E155-K160 HydrophobicContact CG-CG 3.67Å; E155-K160 WeakPolarHBondContact OE2-CE 3.38Å; E155-K160 IonicContact OE2-NZ 3.53Å
161	S	98.6	Very high	98.7	Very high	20 Å²	20	40.5 Å²	40.5	14%	0.14	22%	0.215	C	C	.	.			trans	-68.8	151.3	168.6	178.8	0	0	0	0	111	V151 I152 G154 V163	V151-S161 WeakPolarHBondContact O-CB 3.34Å; I152-S161 WeakPolarHBondContact O-CB 3.47Å; I152-S161 PolarHBondContact O-OG 2.88Å; G154-S161 PolarHBondContact O-N 3.27Å; S161-V163 VanDerWaalsContact C-N 3.35Å; S161-V163 WeakPolarHBondContact OG-CG2 3.42Å; S161-V163 PolarHBondContact OG-N 2.99Å; S161-V163 VanDerWaalsContact OG-N 3.13Å
162	K	98.4	Very high	98.7	Very high	135 Å²	135	40.5 Å²	40.5	59%	0.587	22%	0.215	S	C	*	.			trans	-85.3	-6.9	172.2	70.2	-175.6	-175.1	-174.5	0	113.5	L134 E138 Y164	L134-K162 HydrophobicContact CD1-CG 4.27Å; L134-K162 HydrophobicContact CD2-CD 4.38Å; E138-K162 IonicContact OE1-NZ 2.66Å; E138-K162 PolarHBondContact OE1-NZ 3.44Å; K162-Y164 PolarHBondContact O-N 2.88Å
163	V	98.6	Very high	98.7	Very high	14 Å²	14	40.6 Å²	40.6	9%	0.085	22%	0.215	C	C	.	.			trans	-66.6	124	179.1	177.7	0	0	0	0	109.9	L90 W92 L134 I152 S161 T165	L90-V163 HydrophobicContact CD2-CG2 3.83Å; W92-V163 HydrophobicContact CB-CG1 4.42Å; W92-V163 HydrophobicContact CD2-CG1 3.81Å; W92-V163 HydrophobicContact CE3-CG1 3.61Å; W92-V163 HydrophobicContact CG-CG1 4.2Å; W92-V163 HydrophobicContact CZ3-CG1 4.16Å; L134-V163 HydrophobicContact CD1-CG2 3.64Å; I152-V163 WeakPolarHBondContact O-CG2 3.37Å; S161-V163 VanDerWaalsContact C-N 3.35Å; S161-V163 WeakPolarHBondContact OG-CG2 3.42Å; S161-V163 PolarHBondContact OG-N 2.99Å; S161-V163 VanDerWaalsContact OG-N 3.13Å; V163-T165 HydrophobicContact CG1-CG2 4.32Å
164	Y	98.8	Very high	98.7	Very high	132 Å²	132	40.7 Å²	40.7	52%	0.518	22%	0.216	S	C	.	.			trans	-79.8	130.5	171.6	177.1	-109.4	0	0	0	110.2	Q132 K162 R166	Q132-Y164 PolarHBondContact NE2-O 2.81Å; K162-Y164 PolarHBondContact O-N 2.88Å; Y164-R166 HydrophobicContact CD1-CG 4.24Å; Y164-R166 HydrophobicContact CE1-CG 3.56Å
165	T	98.8	Very high	98.8	Very high	28 Å²	28	41.1 Å²	41.1	17%	0.172	21%	0.209	C	C	.	.			trans	-118.3	110.1	-179.7	57.5	0	0	0	0	109.7	W92 V163 T167 T169	W92-T165 HydrophobicContact CH2-CG2 3.57Å; W92-T165 HydrophobicContact CZ2-CG2 3.57Å; W92-T165 HydrophobicContact CZ3-CG2 4.24Å; V163-T165 HydrophobicContact CG1-CG2 4.32Å; T165-T167 WeakPolarHBondContact CB-O 3.43Å; T165-T169 PolarHBondContact OG1-N 2.79Å
166	R	98.7	Very high	98.8	Very high	35 Å²	35	37.3 Å²	37.3	13%	0.132	19%	0.191	C	C	.	.	S	Bend	trans	-63.8	-45.3	179.7	-76.3	172.2	170.8	74.3	5.5	111.8	E62 T94 L120 R121 Y164 P168	E62-R166 IonicContact OE1-NH1 3.75Å; T94-R166 PolarHBondContact OG1-NH1 2.87Å; L120-R166 HydrophobicContact CD2-CB 3.65Å; L120-R166 HydrophobicContact CD2-CG 4.36Å; R121-R166 PolarHBondContact NH2-O 3.27Å; Y164-R166 HydrophobicContact CD1-CG 4.24Å; Y164-R166 HydrophobicContact CE1-CG 3.56Å; R166-P168 WeakPolarHBondContact O-CD 3.21Å
167	T	98.8	Very high	98.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-94.3	109.9	162.5	-60.4	0	0	0	0	107.2	P38 V118 N119 T165 T169 L246	P38-T167 HydrophobicContact CB-CG2 3.57Å; P38-T167 HydrophobicContact CG-CG2 3.87Å; V118-T167 HydrophobicContact CG1-CG2 4.03Å; N119-T167 WeakPolarHBondContact O-CB 3.39Å; N119-T167 PolarHBondContact O-OG1 2.52Å; T165-T167 WeakPolarHBondContact CB-O 3.43Å; T167-T169 PolarHBondContact O-N 2.91Å; T167-T169 VanDerWaalsContact O-N 3.11Å; T167-T169 PolarHBondContact O-OG1 2.89Å; T167-L246 HydrophobicContact CG2-CD2 3.8Å; T167-L246 HydrophobicContact CG2-CG 4.35Å
168	P	98.9	Very high	98.8	Very high	32 Å²	32	41.8 Å²	41.8	21%	0.208	22%	0.219	C	C	.	.			trans	-51.1	120.4	-174	-30.7	37.2	0	0	0	112	R166 W190 G243 E244	R166-P168 WeakPolarHBondContact O-CD 3.21Å; P168-W190 HydrophobicContact CB-CH2 3.59Å; P168-W190 HydrophobicContact CB-CZ2 3.36Å; P168-G243 CarbonylContact O-C 3.56Å; P168-G243 WeakPolarHBondContact O-CA 3.41Å; P168-E244 HydrophobicContact CB-CB 4.05Å; P168-E244 HydrophobicContact CG-CB 4.23Å; P168-E244 PolarHBondContact O-N 2.77Å
169	T	98.9	Very high	98.8	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.4	-172.5	-60.8	0	0	0	0	111.5	F39 W92 S153 T165 T167 A242	F39-T169 HydrophobicContact CE1-CG2 4.09Å; F39-T169 HydrophobicContact CZ-CG2 4.41Å; W92-T169 HydrophobicContact CH2-CG2 3.86Å; W92-T169 HydrophobicContact CZ2-CG2 4.48Å; S153-T169 WeakPolarHBondContact CB-O 3.33Å; S153-T169 PolarHBondContact OG-O 2.77Å; T165-T169 PolarHBondContact OG1-N 2.79Å; T167-T169 PolarHBondContact O-N 2.91Å; T167-T169 VanDerWaalsContact O-N 3.11Å; T167-T169 PolarHBondContact O-OG1 2.89Å; T169-A242 CarbonylContact C-O 3.54Å; T169-A242 WeakPolarHBondContact CA-O 3.29Å
170	L	98.9	Very high	98.8	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.1	167.8	177.7	71.3	0	0	0	107.9	L172 I186 W190 I241 A242	L170-L172 HydrophobicContact CD1-CD1 3.93Å; L170-L172 HydrophobicContact CD1-CD2 3.94Å; L170-L172 HydrophobicContact CD1-CG 3.85Å; L170-L172 HydrophobicContact CD2-CD1 4.12Å; L170-L172 HydrophobicContact CG-CD1 4.09Å; L170-L172 HydrophobicContact CG-CG 4.02Å; L170-I186 HydrophobicContact CD2-CG1 4.45Å; L170-W190 HydrophobicContact CB-CZ3 3.98Å; L170-I241 CarbonylContact O-C 3.59Å; L170-I241 VanDerWaalsContact O-CA 3.32Å; L170-I241 WeakPolarHBondContact O-CA 3.47Å; L170-A242 HydrophobicContact CB-CB 4.26Å; L170-A242 HydrophobicContact CD2-CB 4.44Å; L170-A242 PolarHBondContact N-O 2.98Å; L170-A242 PolarHBondContact O-N 2.76Å
171	Y	98.9	Very high	98.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	114.7	176.8	-167.1	-12.2	0	0	0	108.2	V64 L116 I152 S153 V239 I241	V64-Y171 HydrophobicContact CG1-CD2 4.23Å; V64-Y171 HydrophobicContact CG1-CE2 4.12Å; L116-Y171 HydrophobicContact CB-CE2 4.4Å; L116-Y171 HydrophobicContact CD2-CD2 4.15Å; L116-Y171 HydrophobicContact CD2-CE2 4.18Å; I152-Y171 HydrophobicContact CB-CD1 4.47Å; I152-Y171 HydrophobicContact CB-CD2 4.49Å; I152-Y171 HydrophobicContact CB-CG 4.09Å; I152-Y171 VanDerWaalsContact CB-O 3.31Å; I152-Y171 WeakPolarHBondContact CB-O 3.45Å; I152-Y171 HydrophobicContact CD1-CD1 3.63Å; I152-Y171 HydrophobicContact CD1-CD2 4.34Å; I152-Y171 HydrophobicContact CD1-CE1 3.64Å; I152-Y171 HydrophobicContact CD1-CE2 4.37Å; I152-Y171 HydrophobicContact CD1-CG 3.99Å; I152-Y171 HydrophobicContact CG2-CD2 3.91Å; I152-Y171 HydrophobicContact CG2-CG 4Å; I152-Y171 PolarHBondContact N-O 2.86Å; S153-Y171 PolarHBondContact N-O 2.97Å; S153-Y171 VanDerWaalsContact N-O 3.14Å; S153-Y171 PolarHBondContact O-N 3.16Å; S153-Y171 WeakPolarHBondContact OG-CB 3.28Å; S153-Y171 PolarHBondContact OG-N 2.89Å; Y171-V239 HydrophobicContact CD1-CB 4.43Å; Y171-V239 HydrophobicContact CE1-CB 3.79Å; Y171-V239 HydrophobicContact CE1-CG1 3.76Å; Y171-V239 HydrophobicContact CE1-CG2 4.24Å; Y171-I241 HydrophobicContact CD1-CD1 4Å; Y171-I241 HydrophobicContact CD1-CG1 3.49Å; Y171-I241 VanDerWaalsContact CD1-CG1 3.49Å; Y171-I241 HydrophobicContact CD2-CG1 4.44Å; Y171-I241 HydrophobicContact CE1-CD1 3.68Å; Y171-I241 HydrophobicContact CE1-CG1 3.7Å; Y171-I241 HydrophobicContact CE2-CD1 4.26Å; Y171-I241 HydrophobicContact CG-CD1 4.45Å; Y171-I241 HydrophobicContact CG-CG1 3.91Å
172	L	99	Very high	98.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	128.1	-176	-57.8	177.9	0	0	0	110.5	V149 A150 V151 A156 L170 F174 Q184 V239 L240	V149-L172 HydrophobicContact CG2-CB 3.72Å; V149-L172 HydrophobicContact CG2-CD1 4.43Å; V149-L172 HydrophobicContact CG2-CD2 4.03Å; V149-L172 HydrophobicContact CG2-CG 4.27Å; A150-L172 WeakPolarHBondContact O-CA 3.44Å; V151-L172 HydrophobicContact CB-CD2 4.3Å; V151-L172 HydrophobicContact CG1-CD2 3.92Å; V151-L172 HydrophobicContact CG2-CD2 4.33Å; A156-L172 HydrophobicContact CB-CD1 3.87Å; A156-L172 HydrophobicContact CB-CD2 3.76Å; A156-L172 HydrophobicContact CB-CG 4.47Å; L170-L172 HydrophobicContact CD1-CD1 3.93Å; L170-L172 HydrophobicContact CD1-CD2 3.94Å; L170-L172 HydrophobicContact CD1-CG 3.85Å; L170-L172 HydrophobicContact CD2-CD1 4.12Å; L170-L172 HydrophobicContact CG-CD1 4.09Å; L170-L172 HydrophobicContact CG-CG 4.02Å; L172-F174 HydrophobicContact CB-CD2 3.94Å; L172-F174 HydrophobicContact CB-CE2 3.5Å; L172-F174 HydrophobicContact CB-CZ 4.33Å; L172-F174 HydrophobicContact CD1-CE2 3.62Å; L172-F174 HydrophobicContact CD1-CZ 3.86Å; L172-F174 HydrophobicContact CG-CE2 4.23Å; L172-Q184 HydrophobicContact CD1-CG 3.86Å; L172-V239 CarbonylContact O-C 3.59Å; L172-V239 WeakPolarHBondContact O-CA 3.18Å; L172-L240 HydrophobicContact CD1-CD2 4.42Å; L172-L240 PolarHBondContact N-O 3.34Å; L172-L240 PolarHBondContact O-N 3.49Å
173	D	98.9	Very high	98.8	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	110.4	169.2	159.9	14.8	0	0	0	109.2	Y66 V149 A150 I152 K175 H237 V239	Y66-D173 HydrophobicContact CE1-CB 3.97Å; Y66-D173 WeakPolarHBondContact CE1-OD2 3.39Å; Y66-D173 PolarHBondContact OH-OD2 2.93Å; V149-D173 CarbonylContact C-O 3.43Å; V149-D173 VanDerWaalsContact CA-O 3.25Å; V149-D173 WeakPolarHBondContact CA-O 3.31Å; A150-D173 HydrophobicContact CB-CB 4.11Å; A150-D173 PolarHBondContact N-O 2.93Å; A150-D173 PolarHBondContact O-N 2.91Å; I152-D173 HydrophobicContact CD1-CB 4.31Å; D173-K175 IonicContact OD1-NZ 3.43Å; D173-K175 PolarHBondContact OD1-NZ 3.22Å; D173-K175 IonicContact OD2-NZ 2.77Å; D173-K175 PolarHBondContact OD2-NZ 2.83Å; D173-H237 IonicContact OD1-CD2 3.29Å; D173-H237 PolarHBondContact OD1-CD2 2.91Å; D173-H237 IonicContact OD1-NE2 3.8Å; D173-H237 PolarHBondContact OD1-NE2 2.93Å; D173-H237 IonicContact OD2-NE2 2.72Å; D173-V239 HydrophobicContact CB-CG1 4.05Å
174	F	98.9	Very high	98.9	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	138.9	-177.9	-81.2	-84	0	0	0	112.6	V147 T148 V149 L172 L176 H182 Q184 H237 F238 L240	V147-F174 HydrophobicContact CG1-CD1 3.91Å; V147-F174 HydrophobicContact CG1-CE1 3.92Å; T148-F174 WeakPolarHBondContact O-CA 3.34Å; V149-F174 HydrophobicContact CB-CD1 3.87Å; V149-F174 HydrophobicContact CB-CE1 3.73Å; V149-F174 HydrophobicContact CB-CG 4.45Å; V149-F174 HydrophobicContact CB-CZ 4.2Å; V149-F174 HydrophobicContact CG1-CE1 4.42Å; V149-F174 HydrophobicContact CG2-CD1 4.01Å; V149-F174 HydrophobicContact CG2-CD2 4.15Å; V149-F174 HydrophobicContact CG2-CE1 3.78Å; V149-F174 HydrophobicContact CG2-CE2 3.93Å; V149-F174 HydrophobicContact CG2-CG 4.2Å; V149-F174 HydrophobicContact CG2-CZ 3.73Å; L172-F174 HydrophobicContact CB-CD2 3.94Å; L172-F174 HydrophobicContact CB-CE2 3.5Å; L172-F174 HydrophobicContact CB-CZ 4.33Å; L172-F174 HydrophobicContact CD1-CE2 3.62Å; L172-F174 HydrophobicContact CD1-CZ 3.86Å; L172-F174 HydrophobicContact CG-CE2 4.23Å; F174-L176 HydrophobicContact CD1-CD2 4.38Å; F174-H182 AromaticContact CE1-CD2 3.4Å; F174-H182 WeakPolarHBondContact CE1-CD2 3.36Å; F174-H182 AromaticContact CE1-NE2 3.8Å; F174-H182 AromaticContact CZ-CD2 3.59Å; F174-H182 AromaticContact CZ-NE2 3.78Å; F174-Q184 HydrophobicContact CZ-CB 4.49Å; F174-H237 WeakPolarHBondContact O-CA 3.41Å; F174-H237 PolarHBondContact O-CD2 2.87Å; F174-F238 HydrophobicContact CB-CD1 4.49Å; F174-F238 HydrophobicContact CB-CD2 4Å; F174-F238 HydrophobicContact CB-CE1 4.08Å; F174-F238 HydrophobicContact CB-CE2 3.55Å; F174-F238 HydrophobicContact CB-CG 4.44Å; F174-F238 HydrophobicContact CB-CZ 3.58Å; F174-F238 HydrophobicContact CD2-CD2 4.46Å; F174-F238 AromaticContact CD2-CE2 3.83Å; F174-F238 HydrophobicContact CD2-CE2 3.83Å; F174-F238 HydrophobicContact CD2-CZ 4.46Å; F174-F238 AromaticContact CG-CE2 3.84Å; F174-F238 HydrophobicContact CG-CE2 3.84Å; F174-F238 HydrophobicContact CG-CZ 4.03Å; F174-F238 PolarHBondContact N-O 3.35Å; F174-F238 PolarHBondContact O-N 3.26Å; F174-F238 VanDerWaalsContact O-N 3.12Å; F174-L240 HydrophobicContact CD2-CB 4.19Å; F174-L240 HydrophobicContact CE2-CB 4.04Å; F174-L240 HydrophobicContact CE2-CD2 4.21Å
175	K	98.9	Very high	98.8	Very high	42 Å²	42	29.7 Å²	29.7	18%	0.183	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	120.4	164.9	-72	156.7	179.9	77	0	108.5	T148 D173 R235 S236 H237	T148-K175 PolarHBondContact N-O 3.29Å; T148-K175 PolarHBondContact O-N 3.43Å; D173-K175 IonicContact OD1-NZ 3.43Å; D173-K175 PolarHBondContact OD1-NZ 3.22Å; D173-K175 IonicContact OD2-NZ 2.77Å; D173-K175 PolarHBondContact OD2-NZ 2.83Å; K175-R235 VanDerWaalsContact CD-NH2 3.31Å; K175-S236 CarbonylContact C-O 3.58Å; K175-S236 VanDerWaalsContact CA-O 3.27Å; K175-S236 WeakPolarHBondContact CA-O 3.46Å; K175-H237 HydrophobicContact CG-CB 4.41Å; K175-H237 PolarHBondContact NZ-CD2 2.87Å; K175-H237 PolarHBondContact NZ-NE2 3.1Å
176	L	98.9	Very high	98.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.5	-179.7	-55.6	-175	0	0	0	110.9	V147 F174 A180 V228 N230 R235 S236 F238	V147-L176 HydrophobicContact CB-CD2 4.14Å; V147-L176 HydrophobicContact CG1-CD2 3.76Å; V147-L176 HydrophobicContact CG2-CD2 3.93Å; F174-L176 HydrophobicContact CD1-CD2 4.38Å; L176-A180 HydrophobicContact CB-CB 4.23Å; L176-V228 HydrophobicContact CD1-CB 4.17Å; L176-V228 HydrophobicContact CD1-CG2 3.96Å; L176-N230 HydrophobicContact CB-CB 3.88Å; L176-N230 HydrophobicContact CD1-CB 4.43Å; L176-N230 PolarHBondContact O-ND2 3.13Å; L176-R235 WeakPolarHBondContact O-CA 3.25Å; L176-R235 WeakPolarHBondContact O-CG 3.24Å; L176-S236 PolarHBondContact N-O 3.36Å; L176-S236 PolarHBondContact O-N 3Å; L176-F238 HydrophobicContact CD1-CE1 3.66Å; L176-F238 HydrophobicContact CD1-CZ 3.84Å; L176-F238 HydrophobicContact CG-CE1 3.83Å; L176-F238 HydrophobicContact CG-CZ 4.11Å
177	D	98.9	Very high	98.8	Very high	71 Å²	71	29.7 Å²	29.7	38%	0.38	19%	0.185	S	C	.	.			trans	-65	161.1	170.8	-68.1	-25.6	0	0	0	111.4	G146 G179 A180 N230	G146-D177 PolarHBondContact O-N 2.84Å; D177-G179 PolarHBondContact O-N 3.39Å; D177-A180 HydrophobicContact CB-CB 4.47Å; D177-A180 WeakPolarHBondContact O-CB 3.5Å; D177-A180 PolarHBondContact O-N 2.99Å; D177-N230 PolarHBondContact O-ND2 3.12Å
178	P	98.9	Very high	98.8	Very high	77 Å²	77	38.7 Å²	38.7	50%	0.5	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	127.1	177	-27.1	37.4	0	0	0	112	A180 P233	P178-A180 VanDerWaalsContact C-N 3.27Å; P178-A180 PolarHBondContact O-N 2.93Å; P178-P233 VanDerWaalsContact CG-O 3.26Å; P178-P233 WeakPolarHBondContact CG-O 3.34Å
179	G	98.7	Very high	98.7	Very high	60 Å²	60	39.1 Å²	39.1	62%	0.619	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	-5.4	-176.8	0	0	0	0	0	115	D177 N230	D177-G179 PolarHBondContact O-N 3.39Å; G179-N230 VanDerWaalsContact CA-O 3.24Å; G179-N230 WeakPolarHBondContact CA-O 3.3Å; G179-N230 PolarHBondContact N-O 2.98Å
180	A	98.8	Very high	98.7	Very high	6 Å²	6	41.3 Å²	41.3	5%	0.05	24%	0.242	C	C	.	.			trans	-69.6	142.2	178.1	0	0	0	0	0	111.4	G146 V147 L176 D177 P178 E229 N230	G146-A180 WeakPolarHBondContact O-CB 3.35Å; V147-A180 HydrophobicContact CG2-CB 4.28Å; L176-A180 HydrophobicContact CB-CB 4.23Å; D177-A180 HydrophobicContact CB-CB 4.47Å; D177-A180 WeakPolarHBondContact O-CB 3.5Å; D177-A180 PolarHBondContact O-N 2.99Å; P178-A180 VanDerWaalsContact C-N 3.27Å; P178-A180 PolarHBondContact O-N 2.93Å; A180-E229 WeakPolarHBondContact O-CA 3.45Å; A180-N230 PolarHBondContact O-N 3.22Å
181	K	98.8	Very high	98.7	Very high	82 Å²	82	42.3 Å²	42.3	36%	0.357	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	135.7	-177.9	-172.3	172.8	-178.1	170.8	0	109.8	D206 Q227 V228 E229	K181-D206 IonicContact NZ-OD1 3.49Å; K181-D206 PolarHBondContact NZ-OD1 3.17Å; K181-D206 IonicContact NZ-OD2 2.72Å; K181-Q227 VanDerWaalsContact CE-NE2 3.29Å; K181-Q227 HydrophobicContact CG-CG 4.42Å; K181-V228 WeakPolarHBondContact CA-O 3.3Å; K181-E229 HydrophobicContact CB-CB 4.46Å; K181-E229 HydrophobicContact CB-CG 4.15Å; K181-E229 HydrophobicContact CD-CG 4.3Å; K181-E229 HydrophobicContact CG-CB 4.14Å; K181-E229 HydrophobicContact CG-CG 4.17Å; K181-E229 IonicContact NZ-OE2 3.55Å
182	H	98.8	Very high	98.7	Very high	23 Å²	23	42.4 Å²	42.4	11%	0.106	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.2	-178.8	-174.8	58.1	0	0	0	111.3	V147 F174 Q184 Q227 V228	V147-H182 HydrophobicContact CG1-CB 4.12Å; V147-H182 HydrophobicContact CG2-CB 3.92Å; F174-H182 AromaticContact CE1-CD2 3.4Å; F174-H182 WeakPolarHBondContact CE1-CD2 3.36Å; F174-H182 AromaticContact CE1-NE2 3.8Å; F174-H182 AromaticContact CZ-CD2 3.59Å; F174-H182 AromaticContact CZ-NE2 3.78Å; H182-Q184 PolarHBondContact NE2-OE1 3.35Å; H182-Q184 VanDerWaalsContact NE2-OE1 3.15Å; H182-Q227 WeakPolarHBondContact O-CA 3.49Å; H182-V228 HydrophobicContact CB-CG2 3.84Å; H182-V228 PolarHBondContact N-O 3.07Å; H182-V228 PolarHBondContact O-N 3.19Å
183	S	98.7	Very high	98.7	Very high	58 Å²	58	42.4 Å²	42.4	41%	0.406	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	114.9	169	-175.3	0	0	0	0	108.6	S225 V226	S183-S225 PolarHBondContact OG-OG 2.87Å; S183-V226 WeakPolarHBondContact CA-O 3.37Å
184	Q	98.9	Very high	98.7	Very high	12 Å²	12	42.2 Å²	42.2	6%	0.056	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.6	179.9	179.8	60	40.7	0	0	110.1	E155 L172 F174 H182 S225 V226 L240	E155-Q184 PolarHBondContact O-NE2 3.23Å; L172-Q184 HydrophobicContact CD1-CG 3.86Å; F174-Q184 HydrophobicContact CZ-CB 4.49Å; H182-Q184 PolarHBondContact NE2-OE1 3.35Å; H182-Q184 VanDerWaalsContact NE2-OE1 3.15Å; Q184-S225 CarbonylContact O-C 3.59Å; Q184-S225 WeakPolarHBondContact O-CA 3.34Å; Q184-S225 WeakPolarHBondContact O-CB 3.36Å; Q184-V226 HydrophobicContact CB-CG1 4.22Å; Q184-V226 PolarHBondContact N-O 3.1Å; Q184-V226 PolarHBondContact O-N 3.29Å; Q184-L240 HydrophobicContact CB-CD2 3.84Å; Q184-L240 HydrophobicContact CG-CD2 3.54Å
185	P	98.6	Very high	98.7	Very high	84 Å²	84	42.2 Å²	42.2	55%	0.545	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	138.3	169	-20.8	32.9	0	0	0	111.1	D224	P185-D224 WeakPolarHBondContact CA-O 3.11Å
186	I	98.8	Very high	98.7	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.031	24%	0.24	C	C	.	.			trans	-126.3	130.4	173.4	-68	162.9	0	0	0	107.3	K5 L170 K188 W190 L220 D224 V226 L240 A242	K5-I186 HydrophobicContact CD-CD1 3.85Å; L170-I186 HydrophobicContact CD2-CG1 4.45Å; I186-K188 PolarHBondContact O-N 2.81Å; I186-W190 HydrophobicContact CG2-CB 4.2Å; I186-L220 HydrophobicContact CD1-CD1 4.17Å; I186-D224 PolarHBondContact N-O 3.12Å; I186-V226 HydrophobicContact CD1-CB 4.1Å; I186-V226 HydrophobicContact CD1-CG1 3.63Å; I186-L240 HydrophobicContact CD1-CD1 4.09Å; I186-L240 HydrophobicContact CD1-CD2 4.31Å; I186-A242 HydrophobicContact CG2-CB 3.86Å
187	P	98.4	Very high	98.7	Very high	57 Å²	57	40.7 Å²	40.7	37%	0.37	24%	0.242	S	C	.	.			trans	-53.6	139.5	178.4	-26.2	34.7	0	0	0	112.2	G189 W190	P187-G189 PolarHBondContact O-N 3.44Å; P187-W190 HydrophobicContact CB-CD2 3.72Å; P187-W190 HydrophobicContact CB-CE3 4.33Å; P187-W190 HydrophobicContact CB-CG 3.81Å; P187-W190 HydrophobicContact CB-CZ2 4.31Å; P187-W190 HydrophobicContact CG-CD2 3.77Å; P187-W190 HydrophobicContact CG-CE3 3.87Å; P187-W190 HydrophobicContact CG-CG 4.34Å; P187-W190 HydrophobicContact CG-CH2 4.17Å; P187-W190 HydrophobicContact CG-CZ2 4.06Å; P187-W190 HydrophobicContact CG-CZ3 4.08Å; P187-W190 WeakPolarHBondContact O-CB 3.49Å; P187-W190 PolarHBondContact O-N 2.94Å
188	K	97.6	Very high	98.7	Very high	189 Å²	189	39.2 Å²	39.2	82%	0.822	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	135.4	-177.6	-175.2	177.8	179.1	179.5	0	110.6	I186 W190	I186-K188 PolarHBondContact O-N 2.81Å; K188-W190 PolarHBondContact O-N 2.8Å
189	G	97.7	Very high	98.7	Very high	40 Å²	40	35.8 Å²	35.8	41%	0.412	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-1.2	178.1	0	0	0	0	0	114.7	P187 P245	P187-G189 PolarHBondContact O-N 3.44Å; G189-P245 WeakPolarHBondContact O-CD 3.07Å
190	W	98.8	Very high	98.7	Very high	48 Å²	48	34.4 Å²	34.4	18%	0.182	19%	0.194	C	C	.	.			trans	-73.5	135.8	171.4	-75.8	23.3	0	0	0	110.7	P168 L170 I186 P187 K188 A242 G243 E244	P168-W190 HydrophobicContact CB-CH2 3.59Å; P168-W190 HydrophobicContact CB-CZ2 3.36Å; L170-W190 HydrophobicContact CB-CZ3 3.98Å; I186-W190 HydrophobicContact CG2-CB 4.2Å; P187-W190 HydrophobicContact CB-CD2 3.72Å; P187-W190 HydrophobicContact CB-CE3 4.33Å; P187-W190 HydrophobicContact CB-CG 3.81Å; P187-W190 HydrophobicContact CB-CZ2 4.31Å; P187-W190 HydrophobicContact CG-CD2 3.77Å; P187-W190 HydrophobicContact CG-CE3 3.87Å; P187-W190 HydrophobicContact CG-CG 4.34Å; P187-W190 HydrophobicContact CG-CH2 4.17Å; P187-W190 HydrophobicContact CG-CZ2 4.06Å; P187-W190 HydrophobicContact CG-CZ3 4.08Å; P187-W190 WeakPolarHBondContact O-CB 3.49Å; P187-W190 PolarHBondContact O-N 2.94Å; K188-W190 PolarHBondContact O-N 2.8Å; W190-A242 HydrophobicContact CE3-CB 4.07Å; W190-G243 WeakPolarHBondContact CA-O 3.33Å; W190-G243 WeakPolarHBondContact CB-O 3.3Å; W190-E244 HydrophobicContact CZ2-CB 4.37Å
191	T	98.9	Very high	98.7	Very high	30 Å²	30	34.1 Å²	34.1	18%	0.184	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	138	164.3	-74.6	0	0	0	0	108.4	L36 D37 F39 A242 G243	L36-T191 HydrophobicContact CB-CG2 4.39Å; L36-T191 HydrophobicContact CD1-CG2 4.39Å; L36-T191 HydrophobicContact CD2-CG2 3.56Å; L36-T191 HydrophobicContact CG-CG2 3.45Å; L36-T191 VanDerWaalsContact CG-CG2 3.45Å; D37-T191 WeakPolarHBondContact O-CB 3.47Å; D37-T191 PolarHBondContact O-OG1 2.7Å; F39-T191 HydrophobicContact CD2-CG2 3.95Å; F39-T191 HydrophobicContact CE2-CG2 3.95Å; T191-A242 CarbonylContact O-C 3.6Å; T191-A242 WeakPolarHBondContact O-CA 3.24Å; T191-A242 WeakPolarHBondContact O-CB 3.15Å; T191-G243 PolarHBondContact N-O 3.1Å; T191-G243 PolarHBondContact O-N 2.78Å
192	S	98.9	Very high	98.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	145.5	178.4	56.5	0	0	0	0	113	L220 I241	S192-L220 PolarHBondContact O-N 2.89Å; S192-L220 WeakPolarHBondContact OG-CB 3.38Å; S192-I241 CarbonylContact C-O 3.46Å; S192-I241 VanDerWaalsContact CA-O 3.28Å; S192-I241 WeakPolarHBondContact CA-O 3.13Å
193	F	98.9	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	156.1	176.1	70.3	-84.8	0	0	0	111.3	I28 L36 F39 F42 L116 T217 A218 I241	I28-F193 HydrophobicContact CD1-CD1 3.93Å; I28-F193 HydrophobicContact CD1-CE1 3.48Å; I28-F193 VanDerWaalsContact CD1-CE1 3.48Å; I28-F193 HydrophobicContact CD1-CE2 4.14Å; I28-F193 HydrophobicContact CD1-CG 4.43Å; I28-F193 HydrophobicContact CD1-CZ 3.59Å; L36-F193 HydrophobicContact CD2-CB 4.44Å; L36-F193 HydrophobicContact CD2-CD1 4.2Å; F39-F193 HydrophobicContact CD2-CD1 4.09Å; F39-F193 AromaticContact CD2-CE1 3.64Å; F39-F193 HydrophobicContact CD2-CE1 3.64Å; F39-F193 HydrophobicContact CE2-CD1 4.26Å; F39-F193 AromaticContact CE2-CE1 3.94Å; F39-F193 HydrophobicContact CE2-CE1 3.94Å; F39-F193 HydrophobicContact CG-CE1 4.03Å; F42-F193 HydrophobicContact CD1-CE2 4.15Å; F42-F193 HydrophobicContact CD2-CZ 4.42Å; F42-F193 HydrophobicContact CE1-CE2 4.47Å; F42-F193 HydrophobicContact CG-CE2 4.25Å; F42-F193 HydrophobicContact CG-CZ 4.25Å; L116-F193 HydrophobicContact CD1-CZ 4.29Å; F193-T217 HydrophobicContact CB-CG2 3.95Å; F193-T217 HydrophobicContact CD2-CG2 3.75Å; F193-T217 HydrophobicContact CG-CG2 4.1Å; F193-A218 CarbonylContact C-O 3.59Å; F193-A218 VanDerWaalsContact CA-O 3.25Å; F193-A218 WeakPolarHBondContact CA-O 3.41Å; F193-I241 HydrophobicContact CD1-CB 4.21Å; F193-I241 HydrophobicContact CD1-CG2 4.4Å; F193-I241 HydrophobicContact CE1-CB 3.64Å; F193-I241 HydrophobicContact CE1-CD1 4.35Å; F193-I241 HydrophobicContact CE1-CG2 3.57Å; F193-I241 HydrophobicContact CE2-CB 4.22Å; F193-I241 HydrophobicContact CE2-CD1 3.84Å; F193-I241 HydrophobicContact CZ-CB 3.66Å; F193-I241 HydrophobicContact CZ-CD1 3.5Å; F193-I241 HydrophobicContact CZ-CG1 4.15Å; F193-I241 HydrophobicContact CZ-CG2 3.84Å; F193-I241 PolarHBondContact N-O 2.92Å; F193-I241 PolarHBondContact O-N 3.23Å
194	I	98.9	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.1	169.1	-74.9	168.1	0	0	0	108.7	T196 I203 T217 A218 L220 V226 V228 F238 V239 L240	I194-T196 HydrophobicContact CG2-CG2 4.27Å; I194-I203 HydrophobicContact CB-CD1 4.11Å; I194-I203 HydrophobicContact CD1-CD1 3.81Å; I194-I203 HydrophobicContact CD1-CG1 4.4Å; I194-I203 HydrophobicContact CD1-CG2 4.28Å; I194-I203 HydrophobicContact CG2-CD1 4.05Å; I194-T217 CarbonylContact O-C 3.58Å; I194-T217 VanDerWaalsContact O-CA 3.3Å; I194-T217 WeakPolarHBondContact O-CA 3.44Å; I194-A218 PolarHBondContact N-O 2.95Å; I194-A218 PolarHBondContact O-N 2.79Å; I194-L220 HydrophobicContact CD1-CD1 4.4Å; I194-L220 HydrophobicContact CG1-CD1 4.42Å; I194-V226 HydrophobicContact CD1-CG2 4.31Å; I194-V228 HydrophobicContact CD1-CG1 3.77Å; I194-F238 HydrophobicContact CD1-CE2 4.38Å; I194-F238 HydrophobicContact CG1-CD2 4.47Å; I194-F238 HydrophobicContact CG2-CB 3.99Å; I194-F238 HydrophobicContact CG2-CD2 3.69Å; I194-F238 HydrophobicContact CG2-CG 4.05Å; I194-V239 CarbonylContact C-O 3.6Å; I194-V239 VanDerWaalsContact CA-O 3.23Å; I194-V239 WeakPolarHBondContact CA-O 3.15Å; I194-L240 HydrophobicContact CD1-CD1 4.16Å; I194-L240 HydrophobicContact CG1-CB 4.07Å; I194-L240 HydrophobicContact CG1-CD1 3.6Å; I194-L240 HydrophobicContact CG1-CG 4.41Å
195	Y	98.9	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.3	167.3	-177.9	-103.2	0	0	0	110.9	S13 F42 E44 L114 I197 H216 T217 F238 V239	S13-Y195 WeakPolarHBondContact OG-CE2 3.35Å; F42-Y195 HydrophobicContact CD1-CD2 4.3Å; F42-Y195 HydrophobicContact CD1-CG 4.16Å; F42-Y195 AromaticContact CE1-CD1 3.62Å; F42-Y195 HydrophobicContact CE1-CD1 3.62Å; F42-Y195 AromaticContact CE1-CD2 3.99Å; F42-Y195 HydrophobicContact CE1-CD2 3.99Å; F42-Y195 HydrophobicContact CE1-CE1 4.28Å; F42-Y195 AromaticContact CE1-CG 3.43Å; F42-Y195 HydrophobicContact CE1-CG 3.43Å; F42-Y195 VanDerWaalsContact CE1-CG 3.43Å; F42-Y195 HydrophobicContact CZ-CD1 4.32Å; F42-Y195 HydrophobicContact CZ-CG 4.38Å; E44-Y195 HydrophobicContact CB-CE1 3.87Å; E44-Y195 HydrophobicContact CG-CE1 4.38Å; E44-Y195 WeakPolarHBondContact OE2-CE1 3.39Å; E44-Y195 PolarHBondContact OE2-OH 3.44Å; L114-Y195 HydrophobicContact CD2-CD1 4.41Å; L114-Y195 HydrophobicContact CD2-CE1 4.3Å; Y195-I197 HydrophobicContact CD1-CG1 4.17Å; Y195-I197 HydrophobicContact CE1-CG1 4.4Å; Y195-H216 WeakPolarHBondContact CA-O 3.38Å; Y195-H216 WeakPolarHBondContact CD2-O 3.46Å; Y195-T217 WeakPolarHBondContact CD2-OG1 3.44Å; Y195-F238 CarbonylContact O-C 3.55Å; Y195-F238 VanDerWaalsContact O-CA 3.23Å; Y195-F238 WeakPolarHBondContact O-CA 3.49Å; Y195-F238 VanDerWaalsContact O-CB 3.23Å; Y195-F238 WeakPolarHBondContact O-CB 3.37Å; Y195-V239 PolarHBondContact N-O 2.9Å; Y195-V239 PolarHBondContact O-N 3.13Å
196	T	98.9	Very high	98.6	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.1	-177.8	51.7	0	0	0	0	111.5	I194 V201 I212 E213 P214 H215 H216 F238	I194-T196 HydrophobicContact CG2-CG2 4.27Å; T196-V201 HydrophobicContact CG2-CG1 3.65Å; T196-I212 HydrophobicContact CG2-CB 4.2Å; T196-I212 HydrophobicContact CG2-CG2 3.67Å; T196-E213 WeakPolarHBondContact CB-O 3.33Å; T196-E213 PolarHBondContact OG1-O 3.49Å; T196-P214 WeakPolarHBondContact OG1-CA 3.4Å; T196-H215 WeakPolarHBondContact O-CA 3.45Å; T196-H215 PolarHBondContact O-N 3.16Å; T196-H215 PolarHBondContact OG1-N 3.34Å; T196-H216 PolarHBondContact N-O 2.8Å; T196-H216 PolarHBondContact OG1-N 3.47Å; T196-H216 PolarHBondContact OG1-O 3.08Å; T196-F238 HydrophobicContact CG2-CB 4.28Å
197	I	98.9	Very high	98.5	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.046	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-50.5	-177.9	-58.7	161.7	0	0	0	109.9	L68 L114 Y195 H237 V239	L68-I197 HydrophobicContact CD1-CD1 4.1Å; L68-I197 HydrophobicContact CD1-CG2 4.03Å; L68-I197 HydrophobicContact CD2-CD1 4.27Å; L114-I197 HydrophobicContact CD1-CD1 4.12Å; Y195-I197 HydrophobicContact CD1-CG1 4.17Å; Y195-I197 HydrophobicContact CE1-CG1 4.4Å; I197-H237 WeakPolarHBondContact CA-O 3.45Å; I197-H237 WeakPolarHBondContact CB-O 3.21Å; I197-H237 PolarHBondContact N-O 3.33Å; I197-V239 HydrophobicContact CD1-CG1 4.19Å
198	S	98.9	Very high	98.5	Very high	40 Å²	40	35.9 Å²	35.9	28%	0.28	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	158.6	179.7	66.8	0	0	0	0	112.1	H237	S198-H237 PolarHBondContact N-O 2.83Å; S198-H237 PolarHBondContact O-N 3.25Å
199	G	98.8	Very high	98.5	Very high	5 Å²	5	28.9 Å²	28.9	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	69.7	-176.4	-169.6	0	0	0	0	0	110.7	P214	G199-P214 WeakPolarHBondContact O-CD 3.35Å; G199-P214 WeakPolarHBondContact O-CG 3.45Å
200	D	98.9	Very high	98.6	Very high	31 Å²	31	31.3 Å²	31.3	17%	0.166	17%	0.168	C	C	.	.			trans	-113	152.9	-179.5	-62.5	-48.1	0	0	0	110	K211 S236	D200-K211 HydrophobicContact CB-CG 4.4Å; D200-K211 VanDerWaalsContact CG-NZ 3.35Å; D200-K211 IonicContact OD1-NZ 2.97Å; D200-K211 WeakPolarHBondContact OD2-CE 3.22Å; D200-K211 IonicContact OD2-NZ 3.63Å; D200-K211 PolarHBondContact OD2-NZ 2.72Å; D200-S236 WeakPolarHBondContact O-CB 3.48Å; D200-S236 PolarHBondContact O-OG 2.87Å
201	V	98.9	Very high	98.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	137.8	174.2	62.5	0	0	0	0	110.5	T196 I203 K211 I212 V228 S236 F238	T196-V201 HydrophobicContact CG2-CG1 3.65Å; V201-I203 HydrophobicContact CG1-CD1 3.99Å; V201-I203 HydrophobicContact CG1-CG1 3.91Å; V201-I203 HydrophobicContact CG2-CG1 4.16Å; V201-K211 CarbonylContact O-C 3.49Å; V201-I212 HydrophobicContact CG1-CB 4.16Å; V201-I212 PolarHBondContact N-O 3.25Å; V201-I212 VanDerWaalsContact N-O 3.13Å; V201-I212 PolarHBondContact O-N 3.06Å; V201-V228 HydrophobicContact CG2-CB 3.92Å; V201-V228 HydrophobicContact CG2-CG1 4.14Å; V201-S236 WeakPolarHBondContact CB-OG 3.32Å; V201-F238 HydrophobicContact CB-CD1 4.12Å; V201-F238 HydrophobicContact CB-CE1 4.11Å; V201-F238 HydrophobicContact CG1-CD1 4.32Å; V201-F238 HydrophobicContact CG2-CD1 4.15Å; V201-F238 HydrophobicContact CG2-CE1 3.66Å; V201-F238 HydrophobicContact CG2-CZ 4.09Å
202	Y	98.9	Very high	98.6	Very high	53 Å²	53	31.6 Å²	31.6	21%	0.208	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.9	171.3	-71	-102.5	0	0	0	108.9	Q209 Q210 K211 V228 E229 K231	Y202-Q209 HydrophobicContact CD1-CB 4.33Å; Y202-Q210 WeakPolarHBondContact CA-O 3.45Å; Y202-K211 HydrophobicContact CD1-CB 4.09Å; Y202-K211 HydrophobicContact CE1-CB 3.75Å; Y202-K211 HydrophobicContact CE1-CG 4.21Å; Y202-K211 HydrophobicContact CE2-CB 4.45Å; Y202-K211 HydrophobicContact CE2-CD 4.32Å; Y202-K211 HydrophobicContact CE2-CG 4.06Å; Y202-V228 CarbonylContact O-C 3.55Å; Y202-V228 WeakPolarHBondContact O-CA 3.45Å; Y202-E229 PolarHBondContact N-O 3.31Å; Y202-E229 PolarHBondContact O-N 3.33Å; Y202-K231 HydrophobicContact CD1-CD 4.07Å; Y202-K231 HydrophobicContact CD2-CB 3.92Å; Y202-K231 HydrophobicContact CD2-CD 3.88Å; Y202-K231 HydrophobicContact CD2-CG 3.69Å; Y202-K231 HydrophobicContact CE1-CD 4.08Å; Y202-K231 HydrophobicContact CE2-CB 3.61Å; Y202-K231 HydrophobicContact CE2-CD 3.93Å; Y202-K231 HydrophobicContact CE2-CG 3.86Å; Y202-K231 HydrophobicContact CG-CD 3.96Å; Y202-K231 HydrophobicContact CG-CG 4.18Å
203	I	98.9	Very high	98.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.4	-174.9	-48.8	-179.1	0	0	0	109.7	V7 I194 V201 Q209 Q210 I212 A218 L220 V226 Q227 V228	V7-I203 HydrophobicContact CG2-CB 3.86Å; V7-I203 HydrophobicContact CG2-CD1 4.25Å; V7-I203 HydrophobicContact CG2-CG2 3.83Å; I194-I203 HydrophobicContact CB-CD1 4.11Å; I194-I203 HydrophobicContact CD1-CD1 3.81Å; I194-I203 HydrophobicContact CD1-CG1 4.4Å; I194-I203 HydrophobicContact CD1-CG2 4.28Å; I194-I203 HydrophobicContact CG2-CD1 4.05Å; V201-I203 HydrophobicContact CG1-CD1 3.99Å; V201-I203 HydrophobicContact CG1-CG1 3.91Å; V201-I203 HydrophobicContact CG2-CG1 4.16Å; I203-Q209 WeakPolarHBondContact O-CA 3.35Å; I203-Q210 PolarHBondContact N-O 2.86Å; I203-Q210 PolarHBondContact O-N 2.77Å; I203-I212 HydrophobicContact CD1-CB 4.25Å; I203-I212 HydrophobicContact CD1-CG1 3.62Å; I203-I212 HydrophobicContact CG1-CG1 4.03Å; I203-A218 HydrophobicContact CD1-CB 3.94Å; I203-L220 HydrophobicContact CG2-CD2 3.88Å; I203-V226 HydrophobicContact CG2-CG2 3.7Å; I203-Q227 WeakPolarHBondContact CA-O 3.32Å; I203-V228 HydrophobicContact CG1-CG1 4.5Å
204	G	98.6	Very high	98.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	124.3	174.8	175.5	0	0	0	0	0	114.4	Q227	G204-Q227 PolarHBondContact N-O 2.73Å; G204-Q227 WeakPolarHBondContact O-CB 3.13Å; G204-Q227 PolarHBondContact O-NE2 2.86Å
205	P	98.3	Very high	98.6	Very high	23 Å²	23	41.2 Å²	41.2	15%	0.149	22%	0.216	C	C	.	.			trans	-64.1	159.3	174.6	28	-32.9	0	0	0	111.5	K6 D207 A208 Q209	K6-P205 HydrophobicContact CG-CG 4.29Å; P205-D207 WeakPolarHBondContact CB-OD1 3.41Å; P205-D207 WeakPolarHBondContact CG-OD1 3.41Å; P205-D207 PolarHBondContact O-N 2.85Å; P205-A208 HydrophobicContact CG-CB 4.18Å; P205-A208 CarbonylContact O-C 3.59Å; P205-A208 PolarHBondContact O-N 2.89Å; P205-Q209 WeakPolarHBondContact O-CG 3.49Å; P205-Q209 PolarHBondContact O-N 3.08Å; P205-Q209 VanDerWaalsContact O-N 3.16Å
206	D	97.2	Very high	98.6	Very high	106 Å²	106	43 Å²	43	57%	0.567	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-33.3	-173.6	-68	-5.5	0	0	0	114.3	K181 Q227	K181-D206 IonicContact NZ-OD1 3.49Å; K181-D206 PolarHBondContact NZ-OD1 3.17Å; K181-D206 IonicContact NZ-OD2 2.72Å; D206-Q227 PolarHBondContact OD1-NE2 3.12Å
207	D	97	Very high	98.6	Very high	138 Å²	138	43 Å²	43	74%	0.738	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.1	-178.3	69.1	-24.7	0	0	0	114.3	P205	P205-D207 WeakPolarHBondContact CB-OD1 3.41Å; P205-D207 WeakPolarHBondContact CG-OD1 3.41Å; P205-D207 PolarHBondContact O-N 2.85Å
208	A	97.5	Very high	98.6	Very high	37 Å²	37	42.5 Å²	42.5	31%	0.306	22%	0.222	S	C	.	.	S	Bend	trans	-151.1	37.5	-174.1	0	0	0	0	0	113.6	K6 P205	K6-A208 HydrophobicContact CD-CB 4.08Å; K6-A208 VanDerWaalsContact NZ-CB 3.3Å; P205-A208 HydrophobicContact CG-CB 4.18Å; P205-A208 CarbonylContact O-C 3.59Å; P205-A208 PolarHBondContact O-N 2.89Å
209	Q	98.3	Very high	98.6	Very high	42 Å²	42	41.3 Å²	41.3	20%	0.196	21%	0.213	C	C	.	.			trans	-66.7	137.3	175.5	-70.8	178.6	-51.9	0	0	111.7	Y202 I203 P205 E229 K231	Y202-Q209 HydrophobicContact CD1-CB 4.33Å; I203-Q209 WeakPolarHBondContact O-CA 3.35Å; P205-Q209 WeakPolarHBondContact O-CG 3.49Å; P205-Q209 PolarHBondContact O-N 3.08Å; P205-Q209 VanDerWaalsContact O-N 3.16Å; Q209-E229 PolarHBondContact NE2-OE2 2.83Å; Q209-K231 VanDerWaalsContact OE1-CE 3.23Å
210	Q	98.8	Very high	98.6	Very high	92 Å²	92	41.6 Å²	41.6	43%	0.43	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.2	170.8	-169.4	174.5	46.2	0	0	109.9	V7 Y202 I203 I212	V7-Q210 VanDerWaalsContact CG1-OE1 3.3Å; Y202-Q210 WeakPolarHBondContact CA-O 3.45Å; I203-Q210 PolarHBondContact N-O 2.86Å; I203-Q210 PolarHBondContact O-N 2.77Å; Q210-I212 HydrophobicContact CB-CD1 4.44Å; Q210-I212 HydrophobicContact CG-CD1 3.9Å
211	K	98.8	Very high	98.5	Very high	78 Å²	78	41 Å²	41	34%	0.339	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.9	170.9	-171.7	-177.2	-177.1	178.1	0	109.3	D200 V201 Y202 D232	D200-K211 HydrophobicContact CB-CG 4.4Å; D200-K211 VanDerWaalsContact CG-NZ 3.35Å; D200-K211 IonicContact OD1-NZ 2.97Å; D200-K211 WeakPolarHBondContact OD2-CE 3.22Å; D200-K211 IonicContact OD2-NZ 3.63Å; D200-K211 PolarHBondContact OD2-NZ 2.72Å; V201-K211 CarbonylContact O-C 3.49Å; Y202-K211 HydrophobicContact CD1-CB 4.09Å; Y202-K211 HydrophobicContact CE1-CB 3.75Å; Y202-K211 HydrophobicContact CE1-CG 4.21Å; Y202-K211 HydrophobicContact CE2-CB 4.45Å; Y202-K211 HydrophobicContact CE2-CD 4.32Å; Y202-K211 HydrophobicContact CE2-CG 4.06Å; K211-D232 IonicContact NZ-OD1 3.95Å; K211-D232 IonicContact NZ-OD2 3.81Å
212	I	98.9	Very high	98.5	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.4	175.2	-51.5	-60.6	0	0	0	108.7	V7 T196 V201 I203 Q210 H216 A218	V7-I212 HydrophobicContact CG2-CD1 4.39Å; T196-I212 HydrophobicContact CG2-CB 4.2Å; T196-I212 HydrophobicContact CG2-CG2 3.67Å; V201-I212 HydrophobicContact CG1-CB 4.16Å; V201-I212 PolarHBondContact N-O 3.25Å; V201-I212 VanDerWaalsContact N-O 3.13Å; V201-I212 PolarHBondContact O-N 3.06Å; I203-I212 HydrophobicContact CD1-CB 4.25Å; I203-I212 HydrophobicContact CD1-CG1 3.62Å; I203-I212 HydrophobicContact CG1-CG1 4.03Å; Q210-I212 HydrophobicContact CB-CD1 4.44Å; Q210-I212 HydrophobicContact CG-CD1 3.9Å; I212-H216 HydrophobicContact CG2-CB 3.64Å; I212-A218 HydrophobicContact CD1-CB 4.4Å; I212-A218 HydrophobicContact CG1-CB 4.24Å; I212-A218 HydrophobicContact CG2-CB 4.46Å
213	E	98.8	Very high	98.4	Very high	112 Å²	112	46.2 Å²	46.2	52%	0.523	24%	0.243	S	C	.	.			trans	-83.6	168.2	178.2	-63.4	-173.5	166.7	0	0	111.3	T196 H216	T196-E213 WeakPolarHBondContact CB-O 3.33Å; T196-E213 PolarHBondContact OG1-O 3.49Å; E213-H216 PolarHBondContact O-ND1 2.81Å; E213-H216 VanDerWaalsContact O-ND1 3.1Å
214	P	98.9	Very high	98.3	Very high	39 Å²	39	49.7 Å²	49.7	25%	0.253	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	155.9	179.3	-29	36.5	0	0	0	115.4	T196 G199 H216	T196-P214 WeakPolarHBondContact OG1-CA 3.4Å; G199-P214 WeakPolarHBondContact O-CD 3.35Å; G199-P214 WeakPolarHBondContact O-CG 3.45Å; P214-H216 VanDerWaalsContact C-N 3.27Å; P214-H216 PolarHBondContact O-N 3.23Å; P214-H216 PolarHBondContact O-ND1 3.11Å
215	H	98.8	Very high	98.3	Very high	52 Å²	52	50.7 Å²	50.7	24%	0.241	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	22.6	176.2	-46.4	-58.1	0	0	0	115.4	L12 S13 E44 T196	L12-H215 HydrophobicContact CD1-CB 4.23Å; S13-H215 WeakPolarHBondContact CB-O 3.45Å; S13-H215 PolarHBondContact N-O 3.19Å; S13-H215 PolarHBondContact OG-O 2.81Å; E44-H215 IonicContact OE1-CE1 3.16Å; E44-H215 IonicContact OE1-ND1 3.26Å; E44-H215 IonicContact OE2-CE1 2.79Å; E44-H215 IonicContact OE2-ND1 2.81Å; E44-H215 PolarHBondContact OE2-ND1 3.35Å; T196-H215 WeakPolarHBondContact O-CA 3.45Å; T196-H215 PolarHBondContact O-N 3.16Å; T196-H215 PolarHBondContact OG1-N 3.34Å
216	H	98.9	Very high	98.4	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.181	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.1	175.2	-72.3	80.7	0	0	0	111.1	S10 V11 Y195 T196 I212 E213 P214	S10-H216 PolarHBondContact OG-CD2 3.19Å; V11-H216 CarbonylContact O-C 3.53Å; V11-H216 WeakPolarHBondContact O-CA 3.2Å; Y195-H216 WeakPolarHBondContact CA-O 3.38Å; Y195-H216 WeakPolarHBondContact CD2-O 3.46Å; T196-H216 PolarHBondContact N-O 2.8Å; T196-H216 PolarHBondContact OG1-N 3.47Å; T196-H216 PolarHBondContact OG1-O 3.08Å; I212-H216 HydrophobicContact CG2-CB 3.64Å; E213-H216 PolarHBondContact O-ND1 2.81Å; E213-H216 VanDerWaalsContact O-ND1 3.1Å; P214-H216 VanDerWaalsContact C-N 3.27Å; P214-H216 PolarHBondContact O-N 3.23Å; P214-H216 PolarHBondContact O-ND1 3.11Å
217	T	98.9	Very high	98.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	115.8	159	-77.7	0	0	0	0	109.7	S10 V11 S27 L33 F193 I194 Y195 V219	S10-T217 CarbonylContact C-O 3.59Å; S10-T217 WeakPolarHBondContact CA-O 3.46Å; V11-T217 PolarHBondContact N-O 3.06Å; V11-T217 PolarHBondContact O-N 2.87Å; S27-T217 WeakPolarHBondContact CB-OG1 3.44Å; S27-T217 WeakPolarHBondContact OG-CB 3.36Å; S27-T217 PolarHBondContact OG-OG1 3.02Å; L33-T217 HydrophobicContact CD2-CG2 4.04Å; F193-T217 HydrophobicContact CB-CG2 3.95Å; F193-T217 HydrophobicContact CD2-CG2 3.75Å; F193-T217 HydrophobicContact CG-CG2 4.1Å; I194-T217 CarbonylContact O-C 3.58Å; I194-T217 VanDerWaalsContact O-CA 3.3Å; I194-T217 WeakPolarHBondContact O-CA 3.44Å; Y195-T217 WeakPolarHBondContact CD2-OG1 3.44Å; T217-V219 HydrophobicContact CG2-CG2 4.27Å
218	A	98.9	Very high	98.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	101.9	172.8	0	0	0	0	0	109.4	V7 L9 F193 I194 I203 I212	V7-A218 HydrophobicContact CG1-CB 3.88Å; V7-A218 HydrophobicContact CG2-CB 3.99Å; L9-A218 CarbonylContact O-C 3.57Å; L9-A218 WeakPolarHBondContact O-CA 3.02Å; F193-A218 CarbonylContact C-O 3.59Å; F193-A218 VanDerWaalsContact CA-O 3.25Å; F193-A218 WeakPolarHBondContact CA-O 3.41Å; I194-A218 PolarHBondContact N-O 2.95Å; I194-A218 PolarHBondContact O-N 2.79Å; I203-A218 HydrophobicContact CD1-CB 3.94Å; I212-A218 HydrophobicContact CD1-CB 4.4Å; I212-A218 HydrophobicContact CG1-CB 4.24Å; I212-A218 HydrophobicContact CG2-CB 4.46Å
219	V	98.9	Very high	98.6	Very high	15 Å²	15	39.6 Å²	39.6	9%	0.091	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132	172.9	-176.6	0	0	0	0	108.7	V7 T8 L9 L33 L36 T217	V7-V219 CarbonylContact C-O 3.58Å; V7-V219 WeakPolarHBondContact CA-O 3.44Å; T8-V219 PolarHBondContact N-O 3.4Å; T8-V219 PolarHBondContact OG1-O 3.44Å; L9-V219 HydrophobicContact CB-CB 4.13Å; L9-V219 HydrophobicContact CB-CG2 4.23Å; L9-V219 HydrophobicContact CD2-CG2 4.29Å; L9-V219 PolarHBondContact O-N 3.27Å; L33-V219 HydrophobicContact CD1-CG2 4.41Å; L33-V219 HydrophobicContact CD2-CG2 4.18Å; L36-V219 HydrophobicContact CD1-CG1 4.4Å; L36-V219 HydrophobicContact CD2-CG1 4.21Å; L36-V219 HydrophobicContact CD2-CG2 4.22Å; T217-V219 HydrophobicContact CG2-CG2 4.27Å
220	L	98.9	Very high	98.6	Very high	11 Å²	11	37.6 Å²	37.6	6%	0.058	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	138.2	-176.1	-53.2	175.9	0	0	0	110.5	K5 V7 I186 S192 I194 I203 V226 L240	K5-L220 HydrophobicContact CB-CB 4.26Å; K5-L220 HydrophobicContact CD-CB 3.92Å; K5-L220 HydrophobicContact CD-CD1 4.28Å; V7-L220 HydrophobicContact CG2-CD2 4.24Å; I186-L220 HydrophobicContact CD1-CD1 4.17Å; S192-L220 PolarHBondContact O-N 2.89Å; S192-L220 WeakPolarHBondContact OG-CB 3.38Å; I194-L220 HydrophobicContact CD1-CD1 4.4Å; I194-L220 HydrophobicContact CG1-CD1 4.42Å; I203-L220 HydrophobicContact CG2-CD2 3.88Å; L220-V226 HydrophobicContact CD1-CB 3.98Å; L220-V226 HydrophobicContact CD1-CG1 4.17Å; L220-V226 HydrophobicContact CD1-CG2 3.82Å; L220-V226 HydrophobicContact CD2-CG2 4.11Å; L220-L240 HydrophobicContact CD1-CD1 3.86Å
221	G	98.5	Very high	98.6	Very high	18 Å²	18	38 Å²	38	19%	0.186	19%	0.191	C	C	.	.			trans	-79.9	-157	178.7	0	0	0	0	0	114.4	K5 K6	K5-G221 WeakPolarHBondContact CD-O 3.41Å; K5-G221 WeakPolarHBondContact CG-O 3.5Å; K5-G221 PolarHBondContact NZ-O 3Å; K6-G221 PolarHBondContact O-N 2.8Å
222	E	97.9	Very high	98.6	Very high	155 Å²	155	36 Å²	36	72%	0.724	19%	0.185	S	C	*	.	S	Bend	trans	-65	147.9	175.1	-67.3	-62.7	162.2	0	0	112.1
223	G	97.3	Very high	98.6	Very high	8 Å²	8	41.6 Å²	41.6	8%	0.082	22%	0.221	C	C	.	.			trans	148.8	159.5	-178	0	0	0	0	0	112.7	S3 K5	S3-G223 CarbonylContact O-C 2.97Å; S3-G223 WeakPolarHBondContact O-CA 3.33Å; S3-G223 WeakPolarHBondContact OG-CA 3.15Å; K5-G223 WeakPolarHBondContact CE-O 3.31Å; K5-G223 PolarHBondContact NZ-O 2.78Å
224	D	97.1	Very high	98.6	Very high	74 Å²	74	42.7 Å²	42.7	40%	0.396	22%	0.224	S	C	.	.	S	Bend	trans	-97.4	-12.5	179.6	58.6	-1.6	0	0	0	113.2	G2 S3 P185 I186	G2-D224 WeakPolarHBondContact CA-OD1 3.11Å; G2-D224 WeakPolarHBondContact CA-OD2 3.13Å; S3-D224 PolarHBondContact N-OD1 3.08Å; S3-D224 PolarHBondContact O-N 3.17Å; P185-D224 WeakPolarHBondContact CA-O 3.11Å; I186-D224 PolarHBondContact N-O 3.12Å
225	S	98.5	Very high	98.6	Very high	20 Å²	20	46.7 Å²	46.7	14%	0.14	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.5	170.5	74.3	0	0	0	0	111.9	S4 K5 S183 Q184	S4-S225 WeakPolarHBondContact CA-O 3.43Å; K5-S225 WeakPolarHBondContact CB-O 3.45Å; K5-S225 WeakPolarHBondContact CG-O 3.39Å; K5-S225 PolarHBondContact N-O 3.04Å; S183-S225 PolarHBondContact OG-OG 2.87Å; Q184-S225 CarbonylContact O-C 3.59Å; Q184-S225 WeakPolarHBondContact O-CA 3.34Å; Q184-S225 WeakPolarHBondContact O-CB 3.36Å
226	V	98.8	Very high	98.6	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.9	166.7	62.7	0	0	0	0	109.4	K5 S183 Q184 I186 I194 I203 L220 L240	K5-V226 HydrophobicContact CB-CB 4.28Å; K5-V226 HydrophobicContact CB-CG2 4.5Å; K5-V226 HydrophobicContact CD-CB 4.49Å; S183-V226 WeakPolarHBondContact CA-O 3.37Å; Q184-V226 HydrophobicContact CB-CG1 4.22Å; Q184-V226 PolarHBondContact N-O 3.1Å; Q184-V226 PolarHBondContact O-N 3.29Å; I186-V226 HydrophobicContact CD1-CB 4.1Å; I186-V226 HydrophobicContact CD1-CG1 3.63Å; I194-V226 HydrophobicContact CD1-CG2 4.31Å; I203-V226 HydrophobicContact CG2-CG2 3.7Å; L220-V226 HydrophobicContact CD1-CB 3.98Å; L220-V226 HydrophobicContact CD1-CG1 4.17Å; L220-V226 HydrophobicContact CD1-CG2 3.82Å; L220-V226 HydrophobicContact CD2-CG2 4.11Å; V226-L240 HydrophobicContact CG1-CD1 4.18Å; V226-L240 HydrophobicContact CG1-CD2 3.75Å
227	Q	98.9	Very high	98.6	Very high	30 Å²	30	43.5 Å²	43.5	14%	0.14	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.6	173.3	-176.2	178.7	-93.2	0	0	110.3	K181 H182 I203 G204 D206	K181-Q227 VanDerWaalsContact CE-NE2 3.29Å; K181-Q227 HydrophobicContact CG-CG 4.42Å; H182-Q227 WeakPolarHBondContact O-CA 3.49Å; I203-Q227 WeakPolarHBondContact CA-O 3.32Å; G204-Q227 PolarHBondContact N-O 2.73Å; G204-Q227 WeakPolarHBondContact O-CB 3.13Å; G204-Q227 PolarHBondContact O-NE2 2.86Å; D206-Q227 PolarHBondContact OD1-NE2 3.12Å
228	V	98.9	Very high	98.6	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.7	176.9	-67.5	0	0	0	0	109.6	L176 K181 H182 I194 V201 Y202 I203 F238	L176-V228 HydrophobicContact CD1-CB 4.17Å; L176-V228 HydrophobicContact CD1-CG2 3.96Å; K181-V228 WeakPolarHBondContact CA-O 3.3Å; H182-V228 HydrophobicContact CB-CG2 3.84Å; H182-V228 PolarHBondContact N-O 3.07Å; H182-V228 PolarHBondContact O-N 3.19Å; I194-V228 HydrophobicContact CD1-CG1 3.77Å; V201-V228 HydrophobicContact CG2-CB 3.92Å; V201-V228 HydrophobicContact CG2-CG1 4.14Å; Y202-V228 CarbonylContact O-C 3.55Å; Y202-V228 WeakPolarHBondContact O-CA 3.45Å; I203-V228 HydrophobicContact CG1-CG1 4.5Å; V228-F238 HydrophobicContact CB-CZ 3.92Å; V228-F238 HydrophobicContact CG1-CE2 4.11Å; V228-F238 HydrophobicContact CG1-CZ 3.97Å; V228-F238 HydrophobicContact CG2-CE2 4.5Å; V228-F238 HydrophobicContact CG2-CZ 3.88Å
229	E	98.9	Very high	98.6	Very high	36 Å²	36	43.5 Å²	43.5	17%	0.168	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138.7	-179.1	-172	177.7	157	0	0	110.2	A180 K181 Y202 Q209 K231	A180-E229 WeakPolarHBondContact O-CA 3.45Å; K181-E229 HydrophobicContact CB-CB 4.46Å; K181-E229 HydrophobicContact CB-CG 4.15Å; K181-E229 HydrophobicContact CD-CG 4.3Å; K181-E229 HydrophobicContact CG-CB 4.14Å; K181-E229 HydrophobicContact CG-CG 4.17Å; K181-E229 IonicContact NZ-OE2 3.55Å; Y202-E229 PolarHBondContact N-O 3.31Å; Y202-E229 PolarHBondContact O-N 3.33Å; Q209-E229 PolarHBondContact NE2-OE2 2.83Å; E229-K231 HydrophobicContact CG-CG 4.13Å; E229-K231 VanDerWaalsContact OE1-CE 3.25Å; E229-K231 WeakPolarHBondContact OE1-CE 3.4Å
230	N	98.9	Very high	98.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.216	C	C	.	.			trans	-102.1	112.9	170.8	-175.3	8.7	0	0	0	110.2	L176 D177 G179 A180 D232 K234 S236	L176-N230 HydrophobicContact CB-CB 3.88Å; L176-N230 HydrophobicContact CD1-CB 4.43Å; L176-N230 PolarHBondContact O-ND2 3.13Å; D177-N230 PolarHBondContact O-ND2 3.12Å; G179-N230 VanDerWaalsContact CA-O 3.24Å; G179-N230 WeakPolarHBondContact CA-O 3.3Å; G179-N230 PolarHBondContact N-O 2.98Å; A180-N230 PolarHBondContact O-N 3.22Å; N230-D232 PolarHBondContact OD1-N 2.76Å; N230-D232 PolarHBondContact OD1-O 2.92Å; N230-K234 PolarHBondContact ND2-O 2.87Å; N230-S236 PolarHBondContact ND2-N 2.71Å
231	K	98.8	Very high	98.6	Very high	100 Å²	100	42.4 Å²	42.4	44%	0.435	21%	0.213	S	C	.	.			trans	-102.5	0.5	177.7	-55.1	-174	-179.8	-175.2	0	113.2	Y202 Q209 E229	Y202-K231 HydrophobicContact CD1-CD 4.07Å; Y202-K231 HydrophobicContact CD2-CB 3.92Å; Y202-K231 HydrophobicContact CD2-CD 3.88Å; Y202-K231 HydrophobicContact CD2-CG 3.69Å; Y202-K231 HydrophobicContact CE1-CD 4.08Å; Y202-K231 HydrophobicContact CE2-CB 3.61Å; Y202-K231 HydrophobicContact CE2-CD 3.93Å; Y202-K231 HydrophobicContact CE2-CG 3.86Å; Y202-K231 HydrophobicContact CG-CD 3.96Å; Y202-K231 HydrophobicContact CG-CG 4.18Å; Q209-K231 VanDerWaalsContact OE1-CE 3.23Å; E229-K231 HydrophobicContact CG-CG 4.13Å; E229-K231 VanDerWaalsContact OE1-CE 3.25Å; E229-K231 WeakPolarHBondContact OE1-CE 3.4Å
232	D	98.7	Very high	98.6	Very high	38 Å²	38	41.5 Å²	41.5	20%	0.203	20%	0.204	C	C	.	.	S	Bend	trans	-105.5	154.2	-175.3	-70.8	-81.6	0	0	0	110.4	K211 N230 K234	K211-D232 IonicContact NZ-OD1 3.95Å; K211-D232 IonicContact NZ-OD2 3.81Å; N230-D232 PolarHBondContact OD1-N 2.76Å; N230-D232 PolarHBondContact OD1-O 2.92Å; D232-K234 PolarHBondContact O-N 3.49Å
233	P	98.4	Very high	98.7	Very high	121 Å²	121	34.1 Å²	34.1	79%	0.786	17%	0.17	S	C	*	.	S	Bend	trans	-71.8	-16.7	-179.1	28.8	-35.9	0	0	0	113.5	P178	P178-P233 VanDerWaalsContact CG-O 3.26Å; P178-P233 WeakPolarHBondContact CG-O 3.34Å
234	K	98.6	Very high	98.7	Very high	136 Å²	136	37.5 Å²	37.5	59%	0.591	18%	0.183	S	C	*	.	S	Bend	trans	-85.1	138.5	175.8	-172	174.9	178.9	178.8	0	109.2	N230 D232 S236	N230-K234 PolarHBondContact ND2-O 2.87Å; D232-K234 PolarHBondContact O-N 3.49Å; K234-S236 PolarHBondContact O-N 3.44Å
235	R	98.8	Very high	98.8	Very high	122 Å²	122	35.1 Å²	35.1	46%	0.46	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-58.6	131.9	174.9	-158.3	176	74.4	-175.5	-2.6	110.2	K175 L176	K175-R235 VanDerWaalsContact CD-NH2 3.31Å; L176-R235 WeakPolarHBondContact O-CA 3.25Å; L176-R235 WeakPolarHBondContact O-CG 3.24Å
236	S	98.9	Very high	98.8	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.014	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135	173.3	-163.8	0	0	0	0	109.7	K175 L176 D200 V201 N230 K234	K175-S236 CarbonylContact C-O 3.58Å; K175-S236 VanDerWaalsContact CA-O 3.27Å; K175-S236 WeakPolarHBondContact CA-O 3.46Å; L176-S236 PolarHBondContact N-O 3.36Å; L176-S236 PolarHBondContact O-N 3Å; D200-S236 WeakPolarHBondContact O-CB 3.48Å; D200-S236 PolarHBondContact O-OG 2.87Å; V201-S236 WeakPolarHBondContact CB-OG 3.32Å; N230-S236 PolarHBondContact ND2-N 2.71Å; K234-S236 PolarHBondContact O-N 3.44Å
237	H	98.9	Very high	98.8	Very high	22 Å²	22	45.4 Å²	45.4	10%	0.102	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	119.4	177.7	179.9	-154.9	0	0	0	109.2	D173 F174 K175 I197 S198	D173-H237 IonicContact OD1-CD2 3.29Å; D173-H237 PolarHBondContact OD1-CD2 2.91Å; D173-H237 IonicContact OD1-NE2 3.8Å; D173-H237 PolarHBondContact OD1-NE2 2.93Å; D173-H237 IonicContact OD2-NE2 2.72Å; F174-H237 WeakPolarHBondContact O-CA 3.41Å; F174-H237 PolarHBondContact O-CD2 2.87Å; K175-H237 HydrophobicContact CG-CB 4.41Å; K175-H237 PolarHBondContact NZ-CD2 2.87Å; K175-H237 PolarHBondContact NZ-NE2 3.1Å; I197-H237 WeakPolarHBondContact CA-O 3.45Å; I197-H237 WeakPolarHBondContact CB-O 3.21Å; I197-H237 PolarHBondContact N-O 3.33Å; S198-H237 PolarHBondContact N-O 2.83Å; S198-H237 PolarHBondContact O-N 3.25Å
238	F	98.9	Very high	98.8	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	161.6	-176.3	59.2	-92.1	0	0	0	109.9	F174 L176 I194 Y195 T196 V201 V228	F174-F238 HydrophobicContact CB-CD1 4.49Å; F174-F238 HydrophobicContact CB-CD2 4Å; F174-F238 HydrophobicContact CB-CE1 4.08Å; F174-F238 HydrophobicContact CB-CE2 3.55Å; F174-F238 HydrophobicContact CB-CG 4.44Å; F174-F238 HydrophobicContact CB-CZ 3.58Å; F174-F238 HydrophobicContact CD2-CD2 4.46Å; F174-F238 AromaticContact CD2-CE2 3.83Å; F174-F238 HydrophobicContact CD2-CE2 3.83Å; F174-F238 HydrophobicContact CD2-CZ 4.46Å; F174-F238 AromaticContact CG-CE2 3.84Å; F174-F238 HydrophobicContact CG-CE2 3.84Å; F174-F238 HydrophobicContact CG-CZ 4.03Å; F174-F238 PolarHBondContact N-O 3.35Å; F174-F238 PolarHBondContact O-N 3.26Å; F174-F238 VanDerWaalsContact O-N 3.12Å; L176-F238 HydrophobicContact CD1-CE1 3.66Å; L176-F238 HydrophobicContact CD1-CZ 3.84Å; L176-F238 HydrophobicContact CG-CE1 3.83Å; L176-F238 HydrophobicContact CG-CZ 4.11Å; I194-F238 HydrophobicContact CD1-CE2 4.38Å; I194-F238 HydrophobicContact CG1-CD2 4.47Å; I194-F238 HydrophobicContact CG2-CB 3.99Å; I194-F238 HydrophobicContact CG2-CD2 3.69Å; I194-F238 HydrophobicContact CG2-CG 4.05Å; Y195-F238 CarbonylContact O-C 3.55Å; Y195-F238 VanDerWaalsContact O-CA 3.23Å; Y195-F238 WeakPolarHBondContact O-CA 3.49Å; Y195-F238 VanDerWaalsContact O-CB 3.23Å; Y195-F238 WeakPolarHBondContact O-CB 3.37Å; T196-F238 HydrophobicContact CG2-CB 4.28Å; V201-F238 HydrophobicContact CB-CD1 4.12Å; V201-F238 HydrophobicContact CB-CE1 4.11Å; V201-F238 HydrophobicContact CG1-CD1 4.32Å; V201-F238 HydrophobicContact CG2-CD1 4.15Å; V201-F238 HydrophobicContact CG2-CE1 3.66Å; V201-F238 HydrophobicContact CG2-CZ 4.09Å; V228-F238 HydrophobicContact CB-CZ 3.92Å; V228-F238 HydrophobicContact CG1-CE2 4.11Å; V228-F238 HydrophobicContact CG1-CZ 3.97Å; V228-F238 HydrophobicContact CG2-CE2 4.5Å; V228-F238 HydrophobicContact CG2-CZ 3.88Å
239	V	99	Very high	98.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	142.6	170.4	-64.8	0	0	0	0	110.4	F42 L114 Y171 L172 D173 I194 Y195 I197 I241	F42-V239 HydrophobicContact CZ-CG2 3.92Å; L114-V239 HydrophobicContact CD1-CG1 3.74Å; L114-V239 HydrophobicContact CD1-CG2 4.28Å; Y171-V239 HydrophobicContact CD1-CB 4.43Å; Y171-V239 HydrophobicContact CE1-CB 3.79Å; Y171-V239 HydrophobicContact CE1-CG1 3.76Å; Y171-V239 HydrophobicContact CE1-CG2 4.24Å; L172-V239 CarbonylContact O-C 3.59Å; L172-V239 WeakPolarHBondContact O-CA 3.18Å; D173-V239 HydrophobicContact CB-CG1 4.05Å; I194-V239 CarbonylContact C-O 3.6Å; I194-V239 VanDerWaalsContact CA-O 3.23Å; I194-V239 WeakPolarHBondContact CA-O 3.15Å; Y195-V239 PolarHBondContact N-O 2.9Å; Y195-V239 PolarHBondContact O-N 3.13Å; I197-V239 HydrophobicContact CD1-CG1 4.19Å; V239-I241 HydrophobicContact CG2-CD1 3.95Å; V239-I241 HydrophobicContact CG2-CG1 4.39Å
240	L	98.9	Very high	98.8	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.3	167	170.3	64.5	0	0	0	108.2	L172 F174 Q184 I186 I194 L220 V226	L172-L240 HydrophobicContact CD1-CD2 4.42Å; L172-L240 PolarHBondContact N-O 3.34Å; L172-L240 PolarHBondContact O-N 3.49Å; F174-L240 HydrophobicContact CD2-CB 4.19Å; F174-L240 HydrophobicContact CE2-CB 4.04Å; F174-L240 HydrophobicContact CE2-CD2 4.21Å; Q184-L240 HydrophobicContact CB-CD2 3.84Å; Q184-L240 HydrophobicContact CG-CD2 3.54Å; I186-L240 HydrophobicContact CD1-CD1 4.09Å; I186-L240 HydrophobicContact CD1-CD2 4.31Å; I194-L240 HydrophobicContact CD1-CD1 4.16Å; I194-L240 HydrophobicContact CG1-CB 4.07Å; I194-L240 HydrophobicContact CG1-CD1 3.6Å; I194-L240 HydrophobicContact CG1-CG 4.41Å; L220-L240 HydrophobicContact CD1-CD1 3.86Å; V226-L240 HydrophobicContact CG1-CD1 4.18Å; V226-L240 HydrophobicContact CG1-CD2 3.75Å
241	I	98.9	Very high	98.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	132.3	-178.7	-63.3	164.1	0	0	0	108.4	F39 F42 L116 L170 Y171 S192 F193 V239	F39-I241 HydrophobicContact CD1-CG2 4.34Å; F39-I241 HydrophobicContact CE1-CG2 3.66Å; F39-I241 HydrophobicContact CE2-CG2 3.99Å; F39-I241 HydrophobicContact CZ-CG2 3.46Å; F39-I241 VanDerWaalsContact CZ-CG2 3.46Å; F42-I241 HydrophobicContact CD2-CD1 4.14Å; F42-I241 HydrophobicContact CE2-CD1 3.6Å; F42-I241 HydrophobicContact CZ-CD1 3.99Å; L116-I241 HydrophobicContact CD2-CD1 4.32Å; L116-I241 HydrophobicContact CD2-CG2 3.97Å; L170-I241 CarbonylContact O-C 3.59Å; L170-I241 VanDerWaalsContact O-CA 3.32Å; L170-I241 WeakPolarHBondContact O-CA 3.47Å; Y171-I241 HydrophobicContact CD1-CD1 4Å; Y171-I241 HydrophobicContact CD1-CG1 3.49Å; Y171-I241 VanDerWaalsContact CD1-CG1 3.49Å; Y171-I241 HydrophobicContact CD2-CG1 4.44Å; Y171-I241 HydrophobicContact CE1-CD1 3.68Å; Y171-I241 HydrophobicContact CE1-CG1 3.7Å; Y171-I241 HydrophobicContact CE2-CD1 4.26Å; Y171-I241 HydrophobicContact CG-CD1 4.45Å; Y171-I241 HydrophobicContact CG-CG1 3.91Å; S192-I241 CarbonylContact C-O 3.46Å; S192-I241 VanDerWaalsContact CA-O 3.28Å; S192-I241 WeakPolarHBondContact CA-O 3.13Å; F193-I241 HydrophobicContact CD1-CB 4.21Å; F193-I241 HydrophobicContact CD1-CG2 4.4Å; F193-I241 HydrophobicContact CE1-CB 3.64Å; F193-I241 HydrophobicContact CE1-CD1 4.35Å; F193-I241 HydrophobicContact CE1-CG2 3.57Å; F193-I241 HydrophobicContact CE2-CB 4.22Å; F193-I241 HydrophobicContact CE2-CD1 3.84Å; F193-I241 HydrophobicContact CZ-CB 3.66Å; F193-I241 HydrophobicContact CZ-CD1 3.5Å; F193-I241 HydrophobicContact CZ-CG1 4.15Å; F193-I241 HydrophobicContact CZ-CG2 3.84Å; F193-I241 PolarHBondContact N-O 2.92Å; F193-I241 PolarHBondContact O-N 3.23Å; V239-I241 HydrophobicContact CG2-CD1 3.95Å; V239-I241 HydrophobicContact CG2-CG1 4.39Å
242	A	98.9	Very high	98.8	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	148.4	174.6	0	0	0	0	0	111.4	T169 L170 I186 W190 T191	T169-A242 CarbonylContact C-O 3.54Å; T169-A242 WeakPolarHBondContact CA-O 3.29Å; L170-A242 HydrophobicContact CB-CB 4.26Å; L170-A242 HydrophobicContact CD2-CB 4.44Å; L170-A242 PolarHBondContact N-O 2.98Å; L170-A242 PolarHBondContact O-N 2.76Å; I186-A242 HydrophobicContact CG2-CB 3.86Å; W190-A242 HydrophobicContact CE3-CB 4.07Å; T191-A242 CarbonylContact O-C 3.6Å; T191-A242 WeakPolarHBondContact O-CA 3.24Å; T191-A242 WeakPolarHBondContact O-CB 3.15Å
243	G	98.9	Very high	98.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	155.4	-177	0	0	0	0	0	113.5	P168 W190 T191 P245	P168-G243 CarbonylContact O-C 3.56Å; P168-G243 WeakPolarHBondContact O-CA 3.41Å; W190-G243 WeakPolarHBondContact CA-O 3.33Å; W190-G243 WeakPolarHBondContact CB-O 3.3Å; T191-G243 PolarHBondContact N-O 3.1Å; T191-G243 PolarHBondContact O-N 2.78Å; G243-P245 WeakPolarHBondContact O-CD 3.38Å
244	E	98.8	Very high	98.7	Very high	79 Å²	79	51.9 Å²	51.9	37%	0.369	25%	0.254	S	S	.	.			trans	-70.9	118.8	177	-175.9	172.1	-114.1	0	0	110.3	P38 P168 W190 L246	P38-E244 WeakPolarHBondContact CB-O 3.27Å; P38-E244 WeakPolarHBondContact CG-O 3.22Å; P168-E244 HydrophobicContact CB-CB 4.05Å; P168-E244 HydrophobicContact CG-CB 4.23Å; P168-E244 PolarHBondContact O-N 2.77Å; W190-E244 HydrophobicContact CZ2-CB 4.37Å; E244-L246 PolarHBondContact O-N 2.85Å
245	P	98.8	Very high	98.7	Very high	24 Å²	24	47.2 Å²	47.2	16%	0.156	24%	0.238	C	C	.	.			trans	-64.2	133.7	176.2	-19.2	32.1	0	0	0	110.5	D37 G189 G243 R247	D37-P245 HydrophobicContact CB-CB 4.37Å; D37-P245 WeakPolarHBondContact OD2-CB 3.4Å; G189-P245 WeakPolarHBondContact O-CD 3.07Å; G243-P245 WeakPolarHBondContact O-CD 3.38Å; P245-R247 HydrophobicContact CB-CG 4.35Å
246	L	98.8	Very high	98.7	Very high	25 Å²	25	41.9 Å²	41.9	13%	0.131	22%	0.218	C	C	.	.			trans	-74.7	-29.5	-179.4	-62	-179.4	0	0	0	112	D37 P38 N119 L120 R121 T167 E244 E248	D37-L246 VanDerWaalsContact CG-N 3.34Å; D37-L246 PolarHBondContact OD1-N 3.44Å; D37-L246 PolarHBondContact OD2-N 2.87Å; D37-L246 VanDerWaalsContact OD2-N 3.13Å; P38-L246 HydrophobicContact CB-CG 4.23Å; N119-L246 HydrophobicContact CB-CD1 3.72Å; L120-L246 VanDerWaalsContact C-CD1 3.47Å; R121-L246 HydrophobicContact CB-CD2 4.11Å; T167-L246 HydrophobicContact CG2-CD2 3.8Å; T167-L246 HydrophobicContact CG2-CG 4.35Å; E244-L246 PolarHBondContact O-N 2.85Å; L246-E248 HydrophobicContact CB-CB 4.49Å; L246-E248 HydrophobicContact CB-CG 4.47Å; L246-E248 PolarHBondContact O-N 2.8Å
247	R	98.8	Very high	98.7	Very high	211 Å²	211	41.8 Å²	41.8	80%	0.796	22%	0.217	S	C	*	.			trans	55.8	33.3	-175.7	-56.2	176.6	176	-93.5	-4	112.9	D37 P245	D37-R247 PolarHBondContact OD2-N 3.1Å; P245-R247 HydrophobicContact CB-CG 4.35Å
248	E	98.8	Very high	98.7	Very high	60 Å²	60	41 Å²	41	28%	0.28	21%	0.214	S	C	.	.	S	Bend	trans	-111.4	157.4	174.4	-66.9	-178.5	167.5	0	0	110.5	R121 S122 L246 N259	R121-E248 WeakPolarHBondContact CA-OE2 3.32Å; S122-E248 PolarHBondContact N-OE1 3.44Å; S122-E248 PolarHBondContact N-OE2 3.1Å; L246-E248 HydrophobicContact CB-CB 4.49Å; L246-E248 HydrophobicContact CB-CG 4.47Å; L246-E248 PolarHBondContact O-N 2.8Å; E248-N259 PolarHBondContact OE2-ND2 3Å; E248-N259 VanDerWaalsContact OE2-ND2 3.16Å
249	P	98.7	Very high	98.7	Very high	86 Å²	86	41.6 Å²	41.6	56%	0.558	22%	0.217	S	C	*	.			trans	-57.7	140.8	172.3	-23.9	34.8	0	0	0	111.9	N259	P249-N259 WeakPolarHBondContact CB-O 3.34Å; P249-N259 PolarHBondContact O-ND2 3.5Å
250	V	98.8	Very high	98.7	Very high	44 Å²	44	44 Å²	44	27%	0.267	23%	0.232	S	C	.	.			trans	-117.8	108.1	175.6	-177.8	0	0	0	0	108.4	L40 V257	L40-V250 HydrophobicContact CD2-CG1 3.7Å; V250-V257 HydrophobicContact CG1-CG1 3.83Å
251	V	98.6	Very high	98.6	Very high	34 Å²	34	49.1 Å²	49.1	21%	0.206	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.3	172.6	-170.2	0	0	0	0	107.6	V257 M258 N259 I264	V251-V257 WeakPolarHBondContact O-CA 3.45Å; V251-M258 PolarHBondContact N-O 2.96Å; V251-M258 PolarHBondContact O-N 3.18Å; V251-N259 WeakPolarHBondContact CG2-O 2.97Å; V251-I264 HydrophobicContact CB-CG1 4.12Å; V251-I264 HydrophobicContact CG1-CG1 3.75Å; V251-I264 WeakPolarHBondContact O-CD1 3.26Å
252	Q	98.6	Very high	98.6	Very high	85 Å²	85	55.6 Å²	55.6	40%	0.397	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	132.1	-177.7	177.5	171.2	11.8	0	0	110.9	G254 F256 V257	Q252-G254 PolarHBondContact NE2-O 3.02Å; Q252-F256 WeakPolarHBondContact CA-O 3.24Å; Q252-V257 HydrophobicContact CB-CG2 4.1Å; Q252-V257 HydrophobicContact CG-CG2 3.81Å
253	H	98.2	Very high	98.6	Very high	108 Å²	108	58.4 Å²	58.4	50%	0.5	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	90.4	169	-171.7	86.1	0	0	0	109.2	P255 F256 I264	H253-P255 WeakPolarHBondContact O-CD 3.33Å; H253-P255 VanDerWaalsContact O-N 3.16Å; H253-F256 PolarHBondContact N-O 3.41Å; H253-F256 PolarHBondContact O-N 2.81Å; H253-I264 HydrophobicContact CB-CD1 4.26Å; H253-I264 HydrophobicContact CB-CG2 3.67Å
254	G	97.1	Very high	98.6	Very high	48 Å²	48	59 Å²	59	50%	0.495	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-115.7	-174.9	0	0	0	0	0	111.6	Q252 F256	Q252-G254 PolarHBondContact NE2-O 3.02Å; G254-F256 VanDerWaalsContact C-N 3.26Å; G254-F256 PolarHBondContact O-N 2.81Å
255	P	98.2	Very high	98.6	Very high	39 Å²	39	58.5 Å²	58.5	25%	0.253	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.2	-177.4	31.3	-35.1	0	0	0	115.5	P57 H58 R59 F61 H253	P57-P255 HydrophobicContact CG-CB 4.11Å; P57-P255 HydrophobicContact CG-CG 3.83Å; P57-P255 WeakPolarHBondContact O-CB 3.4Å; H58-P255 WeakPolarHBondContact CA-O 3.39Å; R59-P255 PolarHBondContact N-O 3.01Å; F61-P255 WeakPolarHBondContact CE1-O 3.48Å; H253-P255 WeakPolarHBondContact O-CD 3.33Å; H253-P255 VanDerWaalsContact O-N 3.16Å
256	F	98.9	Very high	98.6	Very high	9 Å²	9	61.5 Å²	61.5	4%	0.039	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.7	-178.7	-51.7	-42.8	0	0	0	109.9	P57 R59 Q252 H253 G254 I264 A267 I268 F271 F278	P57-F256 HydrophobicContact CB-CE1 4.07Å; P57-F256 HydrophobicContact CB-CZ 4.4Å; P57-F256 HydrophobicContact CG-CE1 4.04Å; P57-F256 HydrophobicContact CG-CZ 4.02Å; R59-F256 HydrophobicContact CB-CD1 3.8Å; R59-F256 HydrophobicContact CB-CE1 4.39Å; Q252-F256 WeakPolarHBondContact CA-O 3.24Å; H253-F256 PolarHBondContact N-O 3.41Å; H253-F256 PolarHBondContact O-N 2.81Å; G254-F256 VanDerWaalsContact C-N 3.26Å; G254-F256 PolarHBondContact O-N 2.81Å; F256-I264 HydrophobicContact CB-CD1 3.89Å; F256-I264 WeakPolarHBondContact O-CD1 3.22Å; F256-A267 HydrophobicContact CB-CB 4.09Å; F256-A267 HydrophobicContact CD1-CB 4.36Å; F256-A267 HydrophobicContact CD2-CB 4.03Å; F256-A267 HydrophobicContact CG-CB 3.9Å; F256-I268 HydrophobicContact CD2-CG1 3.99Å; F256-I268 HydrophobicContact CE2-CG1 4.09Å; F256-F271 HydrophobicContact CE2-CB 4.44Å; F256-F271 HydrophobicContact CZ-CB 3.74Å; F256-F271 HydrophobicContact CZ-CD1 4.22Å; F256-F271 AromaticContact CZ-CG 3.98Å; F256-F271 HydrophobicContact CZ-CG 3.98Å; F256-F278 HydrophobicContact CE1-CE2 4.23Å; F256-F278 AromaticContact CE1-CZ 3.99Å; F256-F278 HydrophobicContact CE1-CZ 3.99Å
257	V	98.8	Very high	98.6	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	105.3	178.7	-175.2	0	0	0	0	109.5	L40 R59 F61 K125 V250 V251 Q252	L40-V257 HydrophobicContact CD1-CB 4.12Å; L40-V257 HydrophobicContact CD1-CG1 3.81Å; L40-V257 HydrophobicContact CD1-CG2 4.07Å; L40-V257 HydrophobicContact CD2-CG1 3.95Å; R59-V257 PolarHBondContact O-N 2.86Å; R59-V257 VanDerWaalsContact O-N 3.16Å; F61-V257 HydrophobicContact CD1-CB 3.69Å; F61-V257 HydrophobicContact CD1-CG2 3.77Å; F61-V257 HydrophobicContact CE1-CB 4.11Å; F61-V257 HydrophobicContact CE1-CG2 3.73Å; K125-V257 PolarHBondContact NZ-O 2.84Å; V250-V257 HydrophobicContact CG1-CG1 3.83Å; V251-V257 WeakPolarHBondContact O-CA 3.45Å; Q252-V257 HydrophobicContact CB-CG2 4.1Å; Q252-V257 HydrophobicContact CG-CG2 3.81Å
258	M	98.8	Very high	98.6	Very high	6 Å²	6	52.8 Å²	52.8	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-178.2	-175.5	-55.4	-57.3	-63.4	0	0	110.8	R59 K125 M126 V251 E263 I264	R59-M258 HydrophobicContact CG-SD 3.94Å; K125-M258 HydrophobicContact CB-CE 4.02Å; K125-M258 HydrophobicContact CD-CE 3.98Å; K125-M258 HydrophobicContact CD-SD 4.19Å; M126-M258 HydrophobicContact SD-CE 4.19Å; V251-M258 PolarHBondContact N-O 2.96Å; V251-M258 PolarHBondContact O-N 3.18Å; M258-E263 HydrophobicContact CB-CB 3.59Å; M258-E263 WeakPolarHBondContact CB-OE2 3.2Å; M258-E263 HydrophobicContact CE-CB 4.04Å; M258-E263 HydrophobicContact CE-CG 4.42Å; M258-E263 HydrophobicContact CG-CB 3.95Å; M258-I264 HydrophobicContact CB-CD1 3.93Å; M258-I264 HydrophobicContact CB-CG1 4.07Å; M258-I264 HydrophobicContact CG-CD1 3.77Å; M258-I264 HydrophobicContact CG-CG1 4.3Å
259	N	98.8	Very high	98.6	Very high	13 Å²	13	53 Å²	53	7%	0.07	29%	0.294	C	S	.	.	S	Bend	trans	-94	-25.8	179.1	-58.1	110.2	0	0	0	112.4	S122 K125 E248 P249 V251 E263	S122-N259 VanDerWaalsContact CA-OD1 3.26Å; S122-N259 WeakPolarHBondContact CA-OD1 3.23Å; S122-N259 WeakPolarHBondContact CB-OD1 3.42Å; S122-N259 PolarHBondContact OG-OD1 3.01Å; K125-N259 VanDerWaalsContact CD-OD1 3.31Å; K125-N259 WeakPolarHBondContact CD-OD1 3.2Å; K125-N259 VanDerWaalsContact CE-OD1 3.23Å; K125-N259 WeakPolarHBondContact CE-OD1 3.44Å; E248-N259 PolarHBondContact OE2-ND2 3Å; E248-N259 VanDerWaalsContact OE2-ND2 3.16Å; P249-N259 WeakPolarHBondContact CB-O 3.34Å; P249-N259 PolarHBondContact O-ND2 3.5Å; V251-N259 WeakPolarHBondContact CG2-O 2.97Å; N259-E263 WeakPolarHBondContact CA-OE2 3.45Å; N259-E263 WeakPolarHBondContact CB-OE2 3.2Å; N259-E263 PolarHBondContact N-OE2 3.38Å
260	T	98.8	Very high	98.6	Very high	51 Å²	51	49.2 Å²	49.2	31%	0.313	27%	0.27	S	S	.	.	S	Bend	trans	-128.9	162.6	-179.2	91.7	0	0	0	0	114.4	E262 E263 I264	T260-E262 VanDerWaalsContact C-N 3.3Å; T260-E262 WeakPolarHBondContact CB-OE2 3.44Å; T260-E262 PolarHBondContact OG1-N 3.43Å; T260-E262 PolarHBondContact OG1-OE2 3Å; T260-E263 PolarHBondContact N-OE2 3.32Å; T260-E263 PolarHBondContact O-N 2.83Å; T260-E263 PolarHBondContact OG1-N 2.91Å; T260-I264 PolarHBondContact O-N 2.95Å; T260-I264 VanDerWaalsContact O-N 3.14Å
261	N	98.6	Very high	98.6	Very high	110 Å²	110	50.5 Å²	50.5	59%	0.588	27%	0.272	S	S	*	.	H	α-helix	trans	-66.6	-33.3	175.3	-71.9	-48	0	0	0	111.9	I264 S265	N261-I264 PolarHBondContact O-N 3.13Å; N261-S265 WeakPolarHBondContact O-CB 3.49Å; N261-S265 PolarHBondContact O-N 3.09Å; N261-S265 PolarHBondContact O-OG 2.88Å
262	E	98.8	Very high	98.6	Very high	136 Å²	136	57 Å²	57	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-64.6	-43.8	175.8	-60.8	71.4	-155.7	0	0	110.6	T260 S265 Q266	T260-E262 VanDerWaalsContact C-N 3.3Å; T260-E262 WeakPolarHBondContact CB-OE2 3.44Å; T260-E262 PolarHBondContact OG1-N 3.43Å; T260-E262 PolarHBondContact OG1-OE2 3Å; E262-S265 WeakPolarHBondContact O-CB 3.05Å; E262-S265 PolarHBondContact O-N 2.78Å; E262-Q266 WeakPolarHBondContact O-CB 3.37Å; E262-Q266 PolarHBondContact O-N 2.89Å
263	E	98.8	Very high	98.6	Very high	59 Å²	59	57.4 Å²	57.4	28%	0.276	30%	0.297	S	S	.	.	H	α-helix	trans	-64	-40.1	176.2	-68.7	173.8	154.8	0	0	112.1	M258 N259 T260 Q266 A267	M258-E263 HydrophobicContact CB-CB 3.59Å; M258-E263 WeakPolarHBondContact CB-OE2 3.2Å; M258-E263 HydrophobicContact CE-CB 4.04Å; M258-E263 HydrophobicContact CE-CG 4.42Å; M258-E263 HydrophobicContact CG-CB 3.95Å; N259-E263 WeakPolarHBondContact CA-OE2 3.45Å; N259-E263 WeakPolarHBondContact CB-OE2 3.2Å; N259-E263 PolarHBondContact N-OE2 3.38Å; T260-E263 PolarHBondContact N-OE2 3.32Å; T260-E263 PolarHBondContact O-N 2.83Å; T260-E263 PolarHBondContact OG1-N 2.91Å; E263-Q266 PolarHBondContact O-N 2.82Å; E263-A267 WeakPolarHBondContact O-CB 3.34Å; E263-A267 PolarHBondContact O-N 2.79Å
264	I	98.8	Very high	98.6	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-45.9	172.3	-72.4	-65.2	0	0	0	111.4	V251 H253 F256 M258 T260 N261 Q266 A267 I268	V251-I264 HydrophobicContact CB-CG1 4.12Å; V251-I264 HydrophobicContact CG1-CG1 3.75Å; V251-I264 WeakPolarHBondContact O-CD1 3.26Å; H253-I264 HydrophobicContact CB-CD1 4.26Å; H253-I264 HydrophobicContact CB-CG2 3.67Å; F256-I264 HydrophobicContact CB-CD1 3.89Å; F256-I264 WeakPolarHBondContact O-CD1 3.22Å; M258-I264 HydrophobicContact CB-CD1 3.93Å; M258-I264 HydrophobicContact CB-CG1 4.07Å; M258-I264 HydrophobicContact CG-CD1 3.77Å; M258-I264 HydrophobicContact CG-CG1 4.3Å; T260-I264 PolarHBondContact O-N 2.95Å; T260-I264 VanDerWaalsContact O-N 3.14Å; N261-I264 PolarHBondContact O-N 3.13Å; I264-Q266 PolarHBondContact O-N 3.12Å; I264-A267 PolarHBondContact O-N 3.19Å; I264-I268 HydrophobicContact CG2-CD1 4.1Å; I264-I268 WeakPolarHBondContact O-CG1 3.4Å; I264-I268 PolarHBondContact O-N 3.14Å
265	S	98.8	Very high	98.7	Very high	68 Å²	68	56.3 Å²	56.3	48%	0.476	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-41.9	176.4	-56.7	0	0	0	0	110.8	N261 E262 L269	N261-S265 WeakPolarHBondContact O-CB 3.49Å; N261-S265 PolarHBondContact O-N 3.09Å; N261-S265 PolarHBondContact O-OG 2.88Å; E262-S265 WeakPolarHBondContact O-CB 3.05Å; E262-S265 PolarHBondContact O-N 2.78Å; S265-L269 VanDerWaalsContact O-CG 3.32Å; S265-L269 WeakPolarHBondContact O-CG 3.49Å; S265-L269 PolarHBondContact O-N 2.91Å; S265-L269 VanDerWaalsContact O-N 3.1Å
266	Q	98.8	Very high	98.7	Very high	87 Å²	87	58.3 Å²	58.3	41%	0.407	29%	0.288	S	S	.	.	H	α-helix	trans	-67.1	-41.6	176.4	-169.8	60.9	52.4	0	0	112.4	E262 E263 I264 I268 L269 D270	E262-Q266 WeakPolarHBondContact O-CB 3.37Å; E262-Q266 PolarHBondContact O-N 2.89Å; E263-Q266 PolarHBondContact O-N 2.82Å; I264-Q266 PolarHBondContact O-N 3.12Å; Q266-I268 VanDerWaalsContact C-N 3.33Å; Q266-I268 PolarHBondContact O-N 2.87Å; Q266-L269 PolarHBondContact O-N 3.4Å; Q266-D270 PolarHBondContact NE2-OD1 2.94Å; Q266-D270 WeakPolarHBondContact O-CB 3.48Å; Q266-D270 VanDerWaalsContact O-CG 3.22Å; Q266-D270 PolarHBondContact O-N 2.78Å
267	A	98.8	Very high	98.7	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.8	-42.4	177.2	0	0	0	0	0	112.5	F256 E263 I264 D270 F271	F256-A267 HydrophobicContact CB-CB 4.09Å; F256-A267 HydrophobicContact CD1-CB 4.36Å; F256-A267 HydrophobicContact CD2-CB 4.03Å; F256-A267 HydrophobicContact CG-CB 3.9Å; E263-A267 WeakPolarHBondContact O-CB 3.34Å; E263-A267 PolarHBondContact O-N 2.79Å; I264-A267 PolarHBondContact O-N 3.19Å; A267-D270 PolarHBondContact O-N 3.3Å; A267-F271 PolarHBondContact O-N 3.03Å
268	I	98.8	Very high	98.7	Very high	54 Å²	54	58 Å²	58	28%	0.277	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-44.7	175	-63.5	170.8	0	0	0	110.7	F256 I264 Q266 R272	F256-I268 HydrophobicContact CD2-CG1 3.99Å; F256-I268 HydrophobicContact CE2-CG1 4.09Å; I264-I268 HydrophobicContact CG2-CD1 4.1Å; I264-I268 WeakPolarHBondContact O-CG1 3.4Å; I264-I268 PolarHBondContact O-N 3.14Å; Q266-I268 VanDerWaalsContact C-N 3.33Å; Q266-I268 PolarHBondContact O-N 2.87Å; I268-R272 VanDerWaalsContact O-CB 3.24Å; I268-R272 WeakPolarHBondContact O-CB 3.28Å; I268-R272 PolarHBondContact O-N 3.43Å
269	L	98.8	Very high	98.7	Very high	64 Å²	64	62 Å²	62	34%	0.335	31%	0.306	S	S	.	.	H	α-helix	trans	-62.6	-43.7	177.2	-73.3	174.1	0	0	0	112.3	S265 Q266 N273	S265-L269 VanDerWaalsContact O-CG 3.32Å; S265-L269 WeakPolarHBondContact O-CG 3.49Å; S265-L269 PolarHBondContact O-N 2.91Å; S265-L269 VanDerWaalsContact O-N 3.1Å; Q266-L269 PolarHBondContact O-N 3.4Å; L269-N273 VanDerWaalsContact O-CB 3.26Å; L269-N273 WeakPolarHBondContact O-CB 3.34Å; L269-N273 VanDerWaalsContact O-CG 3.3Å; L269-N273 PolarHBondContact O-N 3.07Å; L269-N273 PolarHBondContact O-ND2 2.85Å; L269-N273 VanDerWaalsContact O-ND2 3.1Å
270	D	98.9	Very high	98.7	Very high	7 Å²	7	68.3 Å²	68.3	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-64.5	-46.4	-179.2	-76.8	-15.2	0	0	0	111.6	R59 Q266 A267 N273 A274 K275 N276 F278	R59-D270 IonicContact CZ-OD2 2.81Å; R59-D270 IonicContact NH1-OD2 3.44Å; R59-D270 PolarHBondContact NH1-OD2 2.9Å; R59-D270 IonicContact NH2-OD2 3.84Å; R59-D270 PolarHBondContact NH2-OD2 2.98Å; Q266-D270 PolarHBondContact NE2-OD1 2.94Å; Q266-D270 WeakPolarHBondContact O-CB 3.48Å; Q266-D270 VanDerWaalsContact O-CG 3.22Å; Q266-D270 PolarHBondContact O-N 2.78Å; A267-D270 PolarHBondContact O-N 3.3Å; D270-N273 PolarHBondContact O-N 2.82Å; D270-A274 CarbonylContact O-C 3.42Å; D270-A274 WeakPolarHBondContact O-CA 3.26Å; D270-A274 PolarHBondContact O-N 3.45Å; D270-K275 WeakPolarHBondContact CB-O 3.49Å; D270-K275 PolarHBondContact O-N 3.23Å; D270-N276 PolarHBondContact OD1-ND2 3.17Å; D270-N276 WeakPolarHBondContact OD2-CB 3.3Å; D270-F278 HydrophobicContact CB-CD2 4.3Å
271	F	98.8	Very high	98.6	Very high	70 Å²	70	66.9 Å²	66.9	31%	0.307	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-49	176.8	179.9	-113.6	0	0	0	111.3	P57 L100 F256 A267 N273 A274 F278 A281	P57-F271 HydrophobicContact CB-CD2 3.9Å; P57-F271 HydrophobicContact CB-CE2 3.67Å; P57-F271 HydrophobicContact CB-CZ 4.13Å; P57-F271 HydrophobicContact CG-CD1 4.42Å; P57-F271 HydrophobicContact CG-CD2 4.21Å; P57-F271 HydrophobicContact CG-CE1 4.09Å; P57-F271 HydrophobicContact CG-CE2 3.88Å; P57-F271 HydrophobicContact CG-CG 4.48Å; P57-F271 HydrophobicContact CG-CZ 3.81Å; L100-F271 HydrophobicContact CD1-CE2 4.32Å; L100-F271 HydrophobicContact CD2-CE2 4.46Å; F256-F271 HydrophobicContact CE2-CB 4.44Å; F256-F271 HydrophobicContact CZ-CB 3.74Å; F256-F271 HydrophobicContact CZ-CD1 4.22Å; F256-F271 AromaticContact CZ-CG 3.98Å; F256-F271 HydrophobicContact CZ-CG 3.98Å; A267-F271 PolarHBondContact O-N 3.03Å; F271-N273 VanDerWaalsContact C-N 3.25Å; F271-N273 PolarHBondContact O-N 3.22Å; F271-A274 PolarHBondContact O-N 3.25Å; F271-F278 HydrophobicContact CB-CD2 3.91Å; F271-F278 HydrophobicContact CB-CE2 4.13Å; F271-F278 HydrophobicContact CB-CG 4.31Å; F271-F278 HydrophobicContact CD2-CB 4.34Å; F271-F278 AromaticContact CD2-CD1 3.85Å; F271-F278 HydrophobicContact CD2-CD1 3.85Å; F271-F278 HydrophobicContact CD2-CD2 4.29Å; F271-F278 HydrophobicContact CD2-CE1 4.16Å; F271-F278 AromaticContact CD2-CG 3.91Å; F271-F278 HydrophobicContact CD2-CG 3.91Å; F271-A281 HydrophobicContact CD2-CB 4.45Å; F271-A281 HydrophobicContact CE2-CB 4.2Å
272	R	98.4	Very high	98.5	Very high	172 Å²	172	69.9 Å²	69.9	65%	0.649	33%	0.33	S	S	*	.	H	α-helix	trans	-59.3	-35.8	-179.6	-177.2	169.9	68.4	-159.3	6	113	I268	I268-R272 VanDerWaalsContact O-CB 3.24Å; I268-R272 WeakPolarHBondContact O-CB 3.28Å; I268-R272 PolarHBondContact O-N 3.43Å
273	N	98.6	Very high	98.5	Very high	93 Å²	93	69.4 Å²	69.4	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-99.7	3	-176.3	-62.3	-34.8	0	0	0	113.6	L269 D270 F271 K275	L269-N273 VanDerWaalsContact O-CB 3.26Å; L269-N273 WeakPolarHBondContact O-CB 3.34Å; L269-N273 VanDerWaalsContact O-CG 3.3Å; L269-N273 PolarHBondContact O-N 3.07Å; L269-N273 PolarHBondContact O-ND2 2.85Å; L269-N273 VanDerWaalsContact O-ND2 3.1Å; D270-N273 PolarHBondContact O-N 2.82Å; F271-N273 VanDerWaalsContact C-N 3.25Å; F271-N273 PolarHBondContact O-N 3.22Å; N273-K275 HydrophobicContact CB-CG 4.09Å
274	A	98.6	Very high	98.5	Very high	12 Å²	12	68.5 Å²	68.5	10%	0.099	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	62	-173.6	0	0	0	0	0	112.8	D270 F271 F278 E279 K282	D270-A274 CarbonylContact O-C 3.42Å; D270-A274 WeakPolarHBondContact O-CA 3.26Å; D270-A274 PolarHBondContact O-N 3.45Å; F271-A274 PolarHBondContact O-N 3.25Å; A274-F278 CarbonylContact C-O 3.5Å; A274-F278 WeakPolarHBondContact CA-O 3.48Å; A274-F278 VanDerWaalsContact CB-O 3.26Å; A274-F278 WeakPolarHBondContact CB-O 3.35Å; A274-E279 WeakPolarHBondContact O-CA 3.37Å; A274-K282 HydrophobicContact CB-CB 3.71Å; A274-K282 HydrophobicContact CB-CG 4.38Å
275	K	98.4	Very high	98.5	Very high	120 Å²	120	74.7 Å²	74.7	52%	0.522	36%	0.357	S	S	.	.			trans	-132.1	162.7	-177.5	-64.5	-63.8	-179.8	-179.8	0	112.2	D270 N273 G277 F278	D270-K275 WeakPolarHBondContact CB-O 3.49Å; D270-K275 PolarHBondContact O-N 3.23Å; N273-K275 HydrophobicContact CB-CG 4.09Å; K275-G277 PolarHBondContact O-N 3.17Å; K275-F278 PolarHBondContact O-N 3.19Å
276	N	98.1	Very high	98.4	Very high	81 Å²	81	71.6 Å²	71.6	43%	0.433	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.2	37.9	164.7	-56.3	-39	0	0	0	115.1	R59 R97 D270 E279	R59-N276 PolarHBondContact NH2-O 2.89Å; R97-N276 VanDerWaalsContact CZ-C 3.49Å; D270-N276 PolarHBondContact OD1-ND2 3.17Å; D270-N276 WeakPolarHBondContact OD2-CB 3.3Å; N276-E279 WeakPolarHBondContact CA-OE1 3.48Å; N276-E279 PolarHBondContact N-OE1 2.78Å; N276-E279 VanDerWaalsContact N-OE1 3.08Å
277	G	98.4	Very high	98.4	Very high	2 Å²	2	76.1 Å²	76.1	2%	0.021	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	140	-36.7	-173.7	0	0	0	0	0	111.1	F78 R97 K275 E279	F78-G277 WeakPolarHBondContact CZ-O 3.34Å; R97-G277 VanDerWaalsContact NH1-CA 3.27Å; K275-G277 PolarHBondContact O-N 3.17Å; G277-E279 WeakPolarHBondContact CA-OE2 3.19Å; G277-E279 PolarHBondContact N-OE1 2.88Å; G277-E279 PolarHBondContact N-OE2 3.37Å
278	F	98.8	Very high	98.4	Very high	0 Å²	0	78.9 Å²	78.9	0%	0	37%	0.368	C	S	.	.			trans	-109.1	22.9	-171	-64.5	-66.1	0	0	0	113.5	P57 R59 F78 G98 I99 F256 D270 F271 A274 K275 R280 A281	P57-F278 HydrophobicContact CB-CE1 4Å; P57-F278 HydrophobicContact CB-CZ 4.3Å; R59-F278 HydrophobicContact CB-CZ 4.22Å; F78-F278 HydrophobicContact CE2-CD1 4.28Å; G98-F278 VanDerWaalsContact CA-CZ 3.48Å; I99-F278 WeakPolarHBondContact O-CE1 3.12Å; F256-F278 HydrophobicContact CE1-CE2 4.23Å; F256-F278 AromaticContact CE1-CZ 3.99Å; F256-F278 HydrophobicContact CE1-CZ 3.99Å; D270-F278 HydrophobicContact CB-CD2 4.3Å; F271-F278 HydrophobicContact CB-CD2 3.91Å; F271-F278 HydrophobicContact CB-CE2 4.13Å; F271-F278 HydrophobicContact CB-CG 4.31Å; F271-F278 HydrophobicContact CD2-CB 4.34Å; F271-F278 AromaticContact CD2-CD1 3.85Å; F271-F278 HydrophobicContact CD2-CD1 3.85Å; F271-F278 HydrophobicContact CD2-CD2 4.29Å; F271-F278 HydrophobicContact CD2-CE1 4.16Å; F271-F278 AromaticContact CD2-CG 3.91Å; F271-F278 HydrophobicContact CD2-CG 3.91Å; A274-F278 CarbonylContact C-O 3.5Å; A274-F278 WeakPolarHBondContact CA-O 3.48Å; A274-F278 VanDerWaalsContact CB-O 3.26Å; A274-F278 WeakPolarHBondContact CB-O 3.35Å; K275-F278 PolarHBondContact O-N 3.19Å; F278-R280 PolarHBondContact O-N 2.72Å; F278-R280 VanDerWaalsContact O-N 3.13Å; F278-A281 HydrophobicContact CB-CB 4.1Å; F278-A281 WeakPolarHBondContact O-CB 3.34Å; F278-A281 PolarHBondContact O-N 2.51Å
279	E	98.8	Very high	98.2	Very high	91 Å²	91	77.1 Å²	77.1	43%	0.425	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-55.6	-36.2	-175.5	-65.1	84.4	172.7	0	0	112.7	R97 A274 N276 G277	R97-E279 IonicContact NH1-OE2 2.72Å; R97-E279 IonicContact NH2-OE1 3.96Å; R97-E279 PolarHBondContact NH2-OE1 3.01Å; R97-E279 VanDerWaalsContact NH2-OE1 3.11Å; R97-E279 IonicContact NH2-OE2 3.85Å; A274-E279 WeakPolarHBondContact O-CA 3.37Å; N276-E279 WeakPolarHBondContact CA-OE1 3.48Å; N276-E279 PolarHBondContact N-OE1 2.78Å; N276-E279 VanDerWaalsContact N-OE1 3.08Å; G277-E279 WeakPolarHBondContact CA-OE2 3.19Å; G277-E279 PolarHBondContact N-OE1 2.88Å; G277-E279 PolarHBondContact N-OE2 3.37Å
280	R	98.3	Very high	97.6	Very high	146 Å²	146	81.9 Å²	81.9	55%	0.551	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-79.8	-12.8	178.3	-63.3	-167.1	179.4	-154	5.5	114.2	F78 C79 F278 K282 W284	F78-R280 HydrophobicContact CB-CB 4.17Å; F78-R280 HydrophobicContact CD2-CB 3.68Å; F78-R280 HydrophobicContact CE2-CB 4.23Å; F78-R280 HydrophobicContact CG-CB 3.98Å; F78-R280 WeakPolarHBondContact O-CD 2.97Å; C79-R280 PolarHBondContact O-NH1 3.14Å; F278-R280 PolarHBondContact O-N 2.72Å; F278-R280 VanDerWaalsContact O-N 3.13Å; R280-K282 PolarHBondContact O-N 2.91Å; R280-W284 WeakPolarHBondContact O-CB 3.23Å
281	A	97.9	Very high	97.5	Very high	20 Å²	20	85.7 Å²	85.7	17%	0.165	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-68.1	-14.1	178.4	0	0	0	0	0	113.4	L100 F271 F278 T283	L100-A281 HydrophobicContact CD2-CB 3.68Å; F271-A281 HydrophobicContact CD2-CB 4.45Å; F271-A281 HydrophobicContact CE2-CB 4.2Å; F278-A281 HydrophobicContact CB-CB 4.1Å; F278-A281 WeakPolarHBondContact O-CB 3.34Å; F278-A281 PolarHBondContact O-N 2.51Å; A281-T283 VanDerWaalsContact C-N 3.27Å; A281-T283 PolarHBondContact O-N 3.12Å
282	K	96.9	Very high	97.4	Very high	173 Å²	173	86.5 Å²	86.5	75%	0.752	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-53.7	-40.3	-173.5	-169	178.5	178.5	-179.6	0	113.8	A274 R280	A274-K282 HydrophobicContact CB-CB 3.71Å; A274-K282 HydrophobicContact CB-CG 4.38Å; R280-K282 PolarHBondContact O-N 2.91Å
283	T	97.7	Very high	97.4	Very high	126 Å²	126	81.7 Å²	81.7	77%	0.773	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.9	3.6	-175.9	58.3	0	0	0	0	113	A281	A281-T283 VanDerWaalsContact C-N 3.27Å; A281-T283 PolarHBondContact O-N 3.12Å
284	W	98.6	Very high	97.3	Very high	40 Å²	40	81.1 Å²	81.1	15%	0.152	39%	0.393	C	S	.	.			trans	-70.5	143	-177.7	178.9	84.5	0	0	0	111.2	D55 E76 D77 F78 L100 R280	D55-W284 HydrophobicContact CB-CZ3 3.89Å; D55-W284 VanDerWaalsContact CG-CZ3 3.45Å; E76-W284 HydrophobicContact CG-CZ2 4.16Å; D77-W284 WeakPolarHBondContact O-CZ2 3.5Å; D77-W284 PolarHBondContact O-NE1 3.41Å; F78-W284 VanDerWaalsContact CA-CE2 3.43Å; F78-W284 HydrophobicContact CB-CB 4.18Å; F78-W284 HydrophobicContact CB-CD2 3.64Å; F78-W284 HydrophobicContact CB-CE3 4.06Å; F78-W284 HydrophobicContact CB-CG 3.71Å; L100-W284 HydrophobicContact CD1-CZ3 4.24Å; L100-W284 HydrophobicContact CD2-CD2 4.49Å; L100-W284 HydrophobicContact CD2-CE3 3.49Å; L100-W284 VanDerWaalsContact CD2-CE3 3.49Å; L100-W284 HydrophobicContact CD2-CZ3 3.93Å; L100-W284 HydrophobicContact CG-CE3 3.65Å; L100-W284 HydrophobicContact CG-CZ3 3.55Å; R280-W284 WeakPolarHBondContact O-CB 3.23Å
285	K	98.6	Very high	97.2	Very high	142 Å²	142	85.4 Å²	85.4	62%	0.617	41%	0.411	S	S	*	.			trans	-143.5	129.5	172.8	-71.4	-62.9	175.1	-161.2	0	107.8	D55	D55-K285 WeakPolarHBondContact OD2-CA 3.49Å
286	S	98.4	Very high	97.1	Very high	4 Å²	4	83.1 Å²	83.1	3%	0.028	40%	0.404	C	S	.	.			trans	-68.2	157.4	174.5	70.7	0	0	0	0	110.9	D55 E76 G289 N290	D55-S286 WeakPolarHBondContact OD1-CB 3.4Å; D55-S286 PolarHBondContact OD1-N 2.83Å; D55-S286 PolarHBondContact OD1-OG 2.79Å; D55-S286 PolarHBondContact OD2-N 3.23Å; D55-S286 VanDerWaalsContact OD2-N 3.12Å; E76-S286 WeakPolarHBondContact OE2-CB 3.46Å; S286-G289 WeakPolarHBondContact OG-CA 3.22Å; S286-G289 PolarHBondContact OG-N 3.19Å; S286-N290 PolarHBondContact O-ND2 2.73Å
287	K	98.3	Very high	97.1	Very high	182 Å²	182	83.2 Å²	83.2	79%	0.791	40%	0.402	S	S	*	.	S	Bend	trans	-76.6	-37.9	167.6	-64.3	175.1	-177.2	171.7	0	111.1	E76	E76-K287 VanDerWaalsContact CD-N 3.33Å; E76-K287 PolarHBondContact OE1-N 3.29Å; E76-K287 WeakPolarHBondContact OE2-CB 3.39Å; E76-K287 PolarHBondContact OE2-N 2.84Å
288	I	97.8	Very high	97	Very high	58 Å²	58	89.5 Å²	89.5	30%	0.297	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.9	-171.4	63.6	174.5	0	0	0	113.8	A74 E76 A102 M104	A74-I288 HydrophobicContact CB-CD1 4.18Å; E76-I288 HydrophobicContact CB-CD1 3.78Å; E76-I288 HydrophobicContact CB-CG1 4.01Å; E76-I288 PolarHBondContact OE2-N 2.85Å; A102-I288 HydrophobicContact CB-CD1 4.04Å; A102-I288 HydrophobicContact CB-CG1 3.84Å; M104-I288 HydrophobicContact CB-CB 4.36Å; M104-I288 HydrophobicContact CB-CD1 4.21Å; M104-I288 HydrophobicContact CB-CG1 4.41Å; M104-I288 HydrophobicContact CG-CB 4.11Å; M104-I288 HydrophobicContact CG-CD1 3.96Å; M104-I288 HydrophobicContact CG-CG1 3.85Å; M104-I288 WeakPolarHBondContact CG-O 3.41Å
289	G	94.3	Very high	96.8	Very high	17 Å²	17	96.9 Å²	96.9	18%	0.175	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.6	-177.1	0	0	0	0	0	115.1	S286	S286-G289 WeakPolarHBondContact OG-CA 3.22Å; S286-G289 PolarHBondContact OG-N 3.19Å
290	N	86.3	Confident	96.6	Very high	164 Å²	164	97.5 Å²	97.5	88%	0.877	47%	0.471	S	S	*	.			trans	-118.7	0	-179.6	-69.5	-61.4	0	0	0	112.3	S286	S286-N290 PolarHBondContact O-ND2 2.73Å

Retrieved 290 of 290 residues in 192.4 ms (Link to these results)

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