A0A061HUL9_CRIGR 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 , UniProt , Accession A0A061HUL9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pir, Length 290 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.3	Very low	89.4	Confident	246 Å²	246	67.9 Å²	67.9	100%	1.212	40%	0.395	S	S	*	.				0	120.9	0	-70	173.7	-167.8	0	0	106.2
2	G	61	Low	90.1	Very high	43 Å²	43	69.5 Å²	69.5	44%	0.443	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.4	177.7	0	0	0	0	0	111.2	D224	G2-D224 WeakPolarHBondContact CA-OD1 3.42Å; G2-D224 WeakPolarHBondContact CA-OD2 3.38Å
3	S	88.2	Confident	90.7	Very high	78 Å²	78	64.2 Å²	64.2	55%	0.545	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-81.8	117.8	176	58.6	0	0	0	0	109.3	G223 D224	S3-G223 CarbonylContact O-C 3.48Å; S3-G223 WeakPolarHBondContact O-CA 3.24Å; S3-G223 WeakPolarHBondContact OG-CA 3.38Å; S3-D224 PolarHBondContact N-OD1 2.83Å; S3-D224 PolarHBondContact O-N 3.08Å; S3-D224 VanDerWaalsContact O-N 3.15Å
4	S	95.2	Very high	91	Very high	25 Å²	25	70.9 Å²	70.9	18%	0.175	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-70.9	134.4	174.7	177.9	0	0	0	0	111	N225	S4-N225 WeakPolarHBondContact CA-O 3.24Å
5	K	98.4	Very high	91.4	Very high	4 Å²	4	72.1 Å²	72.1	2%	0.017	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-60.3	145	175.3	-65.7	-176.8	-178.3	-66.2	0	111.1	I186 L220 G221 E222 G223 N225 V226	K5-I186 HydrophobicContact CD-CD1 3.88Å; K5-L220 HydrophobicContact CB-CB 4.22Å; K5-L220 HydrophobicContact CD-CB 3.85Å; K5-L220 HydrophobicContact CD-CD1 4.23Å; K5-G221 WeakPolarHBondContact CD-O 3.19Å; K5-G221 WeakPolarHBondContact CG-O 3.43Å; K5-G221 PolarHBondContact NZ-O 3.43Å; K5-E222 WeakPolarHBondContact CA-O 3.4Å; K5-G223 WeakPolarHBondContact CE-O 3.35Å; K5-G223 PolarHBondContact NZ-O 2.89Å; K5-N225 WeakPolarHBondContact CG-O 3.43Å; K5-N225 PolarHBondContact N-O 3.22Å; K5-V226 HydrophobicContact CB-CB 4.29Å; K5-V226 HydrophobicContact CB-CG2 4.48Å
6	K	98.7	Very high	91.7	Very high	100 Å²	100	70.9 Å²	70.9	44%	0.435	38%	0.379	S	S	.	.			trans	-112.5	157.8	168.8	-62.5	-174.6	-177.3	-170.1	0	109.4	T8 P205 A208 G221	K6-T8 PolarHBondContact O-N 2.9Å; K6-P205 HydrophobicContact CG-CG 4.28Å; K6-A208 HydrophobicContact CD-CB 4.09Å; K6-A208 VanDerWaalsContact NZ-CB 3.3Å; K6-G221 PolarHBondContact O-N 3.22Å
7	V	98.8	Very high	92	Very high	22 Å²	22	72.3 Å²	72.3	13%	0.133	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.4	170.7	-179.7	0	0	0	0	108.9	I203 I212 A218 V219 L220	V7-I203 HydrophobicContact CG2-CB 3.88Å; V7-I203 HydrophobicContact CG2-CD1 4.45Å; V7-I203 HydrophobicContact CG2-CG2 3.7Å; V7-I212 HydrophobicContact CG2-CD1 4.43Å; V7-A218 HydrophobicContact CG1-CB 3.92Å; V7-A218 HydrophobicContact CG2-CB 4Å; V7-V219 CarbonylContact C-O 3.42Å; V7-V219 WeakPolarHBondContact CA-O 3.4Å; V7-L220 HydrophobicContact CG2-CD2 4.26Å
8	T	98.6	Very high	92.1	Very high	96 Å²	96	71.6 Å²	71.6	59%	0.589	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	-25.7	178.8	52.7	0	0	0	0	112.6	K6 V219	K6-T8 PolarHBondContact O-N 2.9Å; T8-V219 PolarHBondContact N-O 2.72Å; T8-V219 PolarHBondContact OG1-O 2.86Å
9	L	98.6	Very high	92.2	Very high	75 Å²	75	70.4 Å²	70.4	39%	0.393	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	135.4	176.1	175.8	67.2	0	0	0	108.7	V11 L33 A218 V219	L9-V11 HydrophobicContact CD1-CG2 4.18Å; L9-V11 HydrophobicContact CD2-CG2 3.73Å; L9-V11 HydrophobicContact CG-CG2 3.71Å; L9-L33 HydrophobicContact CD2-CD1 4.23Å; L9-A218 CarbonylContact O-C 3.59Å; L9-A218 WeakPolarHBondContact O-CA 3.37Å; L9-V219 HydrophobicContact CB-CB 4.08Å; L9-V219 HydrophobicContact CB-CG2 4.17Å; L9-V219 HydrophobicContact CD2-CG2 4.26Å; L9-V219 PolarHBondContact O-N 2.76Å
10	S	98.6	Very high	92.2	Very high	49 Å²	49	71.5 Å²	71.5	34%	0.343	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.7	170.4	-175.8	0	0	0	0	109.3	H216 T217	S10-H216 PolarHBondContact OG-CD2 3.14Å; S10-H216 VanDerWaalsContact OG-CD2 3.29Å; S10-T217 CarbonylContact C-O 3.58Å; S10-T217 WeakPolarHBondContact CA-O 3.49Å
11	V	98.6	Very high	92	Very high	9 Å²	9	71.5 Å²	71.5	6%	0.055	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.2	-176.8	-174.4	0	0	0	0	109.6	L9 S13 R30 L33 H216 T217	L9-V11 HydrophobicContact CD1-CG2 4.18Å; L9-V11 HydrophobicContact CD2-CG2 3.73Å; L9-V11 HydrophobicContact CG-CG2 3.71Å; V11-S13 PolarHBondContact O-N 2.87Å; V11-R30 VanDerWaalsContact CG1-NH2 3.33Å; V11-L33 HydrophobicContact CG2-CD2 4.39Å; V11-H216 CarbonylContact O-C 3.59Å; V11-H216 WeakPolarHBondContact O-CA 2.95Å; V11-T217 PolarHBondContact N-O 3.03Å; V11-T217 PolarHBondContact O-N 3.19Å
12	L	98.7	Very high	94.1	Very high	87 Å²	87	60.2 Å²	60.2	46%	0.455	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.9	169.2	179.8	64	0	0	0	110	R30 H215	L12-R30 PolarHBondContact O-NH2 2.84Å; L12-H215 HydrophobicContact CD1-CB 4.23Å
13	S	98.1	Very high	95.7	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.007	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-84.9	127.5	-179.4	-53.7	0	0	0	0	110.3	V11 R26 S27 Y195 H215	V11-S13 PolarHBondContact O-N 2.87Å; S13-R26 WeakPolarHBondContact CA-O 3.47Å; S13-R26 WeakPolarHBondContact CB-O 3.47Å; S13-S27 WeakPolarHBondContact OG-CB 3.41Å; S13-S27 PolarHBondContact OG-OG 2.89Å; S13-S27 VanDerWaalsContact OG-OG 3.09Å; S13-Y195 WeakPolarHBondContact OG-CE2 3.49Å; S13-H215 VanDerWaalsContact CB-O 3.24Å; S13-H215 WeakPolarHBondContact CB-O 3.44Å; S13-H215 PolarHBondContact N-O 3.46Å; S13-H215 PolarHBondContact OG-O 3.15Å
14	R	93.9	Very high	96.1	Very high	157 Å²	157	59 Å²	59	59%	0.592	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	141	-173.2	-65.9	-168.7	-179.2	-161.6	0.6	110.5	R25 R26	R14-R25 WeakPolarHBondContact O-CA 2.77Å; R14-R26 PolarHBondContact N-O 3.45Å; R14-R26 PolarHBondContact O-N 2.97Å
15	E	96.6	Very high	96.3	Very high	89 Å²	89	61.4 Å²	61.4	42%	0.416	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.6	-178.6	-157.3	-169.2	128.1	0	0	111.1	R23 V24 R25	E15-R23 HydrophobicContact CG-CB 4.13Å; E15-R23 PolarHBondContact O-NH2 3.1Å; E15-R23 IonicContact OE1-CZ 3.97Å; E15-R23 VanDerWaalsContact OE1-CZ 3.22Å; E15-R23 IonicContact OE1-NE 2.84Å; E15-R23 PolarHBondContact OE1-NE 2.96Å; E15-R23 IonicContact OE1-NH2 3.41Å; E15-R23 PolarHBondContact OE1-NH2 2.91Å; E15-V24 CarbonylContact C-O 3.54Å; E15-V24 WeakPolarHBondContact CA-O 3.16Å; E15-R25 HydrophobicContact CB-CG 4.35Å; E15-R25 HydrophobicContact CG-CG 4.42Å; E15-R25 IonicContact OE2-NH2 2.73Å
16	Q	96.8	Very high	96.3	Very high	53 Å²	53	62.9 Å²	62.9	25%	0.248	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	152.9	-179.6	62.3	-178.2	69.4	0	0	110.9	E18 R23 V24 R26	Q16-E18 PolarHBondContact NE2-OE1 3.39Å; Q16-R23 VanDerWaalsContact C-NH1 3.28Å; Q16-R23 WeakPolarHBondContact O-CA 3.45Å; Q16-V24 HydrophobicContact CG-CG2 3.72Å; Q16-V24 PolarHBondContact N-O 3.47Å; Q16-V24 PolarHBondContact O-N 3.32Å; Q16-R26 HydrophobicContact CG-CB 4.47Å
17	P	96.4	Very high	96.1	Very high	95 Å²	95	58.1 Å²	58.1	62%	0.617	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	141	173.5	32.5	-30.6	0	0	0	109.7	R23	P17-R23 VanDerWaalsContact CD-NH1 3.27Å; P17-R23 VanDerWaalsContact N-NH1 3.15Å
18	E	94.8	Very high	96.1	Very high	60 Å²	60	57.1 Å²	57.1	28%	0.28	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	160.5	170.7	-72.1	-65.8	170.3	0	0	108.6	Q16 V20 A22 V24 R26 F53	Q16-E18 PolarHBondContact NE2-OE1 3.39Å; E18-V20 PolarHBondContact O-N 2.7Å; E18-A22 PolarHBondContact N-O 2.98Å; E18-A22 WeakPolarHBondContact O-CB 3.38Å; E18-V24 HydrophobicContact CB-CG1 4.2Å; E18-V24 HydrophobicContact CB-CG2 4.26Å; E18-V24 HydrophobicContact CG-CG1 4.28Å; E18-V24 HydrophobicContact CG-CG2 3.49Å; E18-V24 VanDerWaalsContact CG-CG2 3.49Å; E18-R26 VanDerWaalsContact CD-NH2 3.31Å; E18-R26 IonicContact OE1-CZ 2.89Å; E18-R26 VanDerWaalsContact OE1-CZ 3.23Å; E18-R26 IonicContact OE1-NH1 3.44Å; E18-R26 PolarHBondContact OE1-NH1 2.86Å; E18-R26 IonicContact OE1-NH2 3.4Å; E18-R26 PolarHBondContact OE1-NH2 3.1Å; E18-F53 HydrophobicContact CB-CE1 3.86Å
19	G	93.4	Very high	96.1	Very high	49 Å²	49	54 Å²	54	51%	0.505	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	-132.5	-177.6	0	0	0	0	0	112.4
20	V	92.4	Very high	96	Very high	91 Å²	91	51.4 Å²	51.4	55%	0.552	29%	0.289	S	S	*	.	B	Isolated β-bridge	trans	-123	111.4	177.2	178.2	0	0	0	0	109	E18 A22 G51 G52 P54	E18-V20 PolarHBondContact O-N 2.7Å; V20-A22 PolarHBondContact O-N 3.14Å; V20-A22 VanDerWaalsContact O-N 3.16Å; V20-G51 CarbonylContact O-C 3.49Å; V20-G51 WeakPolarHBondContact O-CA 3.49Å; V20-G52 PolarHBondContact N-O 2.88Å; V20-G52 PolarHBondContact O-N 2.91Å; V20-P54 HydrophobicContact CB-CG 4.49Å; V20-P54 HydrophobicContact CG2-CG 3.78Å
21	G	88.3	Confident	95.9	Very high	73 Å²	73	54.1 Å²	54.1	75%	0.753	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	8.1	177.4	0	0	0	0	0	115.3
22	A	91.4	Very high	95.8	Very high	8 Å²	8	58.4 Å²	58.4	7%	0.066	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	153.2	174.8	0	0	0	0	0	111.5	E18 V20 F53	E18-A22 PolarHBondContact N-O 2.98Å; E18-A22 WeakPolarHBondContact O-CB 3.38Å; V20-A22 PolarHBondContact O-N 3.14Å; V20-A22 VanDerWaalsContact O-N 3.16Å; A22-F53 HydrophobicContact CB-CE1 4.24Å; A22-F53 HydrophobicContact CB-CE2 4.49Å; A22-F53 HydrophobicContact CB-CZ 4.06Å
23	R	94.9	Very high	95.7	Very high	96 Å²	96	54.9 Å²	54.9	36%	0.362	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.5	176.4	-64.8	-74.1	-72.3	167.4	5.3	108.4	E15 Q16 P17 K46	E15-R23 HydrophobicContact CG-CB 4.13Å; E15-R23 PolarHBondContact O-NH2 3.1Å; E15-R23 IonicContact OE1-CZ 3.97Å; E15-R23 VanDerWaalsContact OE1-CZ 3.22Å; E15-R23 IonicContact OE1-NE 2.84Å; E15-R23 PolarHBondContact OE1-NE 2.96Å; E15-R23 IonicContact OE1-NH2 3.41Å; E15-R23 PolarHBondContact OE1-NH2 2.91Å; Q16-R23 VanDerWaalsContact C-NH1 3.28Å; Q16-R23 WeakPolarHBondContact O-CA 3.45Å; P17-R23 VanDerWaalsContact CD-NH1 3.27Å; P17-R23 VanDerWaalsContact N-NH1 3.15Å; R23-K46 PolarHBondContact O-N 3.12Å
24	V	97.4	Very high	95.6	Very high	1 Å²	1	61.8 Å²	61.8	1%	0.006	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145	177.5	-54.7	0	0	0	0	109.9	E15 Q16 E18 D43 E44 F45 F53	E15-V24 CarbonylContact C-O 3.54Å; E15-V24 WeakPolarHBondContact CA-O 3.16Å; Q16-V24 HydrophobicContact CG-CG2 3.72Å; Q16-V24 PolarHBondContact N-O 3.47Å; Q16-V24 PolarHBondContact O-N 3.32Å; E18-V24 HydrophobicContact CB-CG1 4.2Å; E18-V24 HydrophobicContact CB-CG2 4.26Å; E18-V24 HydrophobicContact CG-CG1 4.28Å; E18-V24 HydrophobicContact CG-CG2 3.49Å; E18-V24 VanDerWaalsContact CG-CG2 3.49Å; V24-D43 HydrophobicContact CB-CB 4.08Å; V24-D43 HydrophobicContact CG1-CB 4.42Å; V24-E44 CarbonylContact C-O 3.57Å; V24-E44 VanDerWaalsContact CA-O 3.32Å; V24-E44 WeakPolarHBondContact CA-O 3.5Å; V24-F45 HydrophobicContact CG1-CB 3.85Å; V24-F53 HydrophobicContact CG1-CE1 4.21Å; V24-F53 HydrophobicContact CG1-CZ 3.9Å
25	R	98.6	Very high	95.7	Very high	75 Å²	75	57.5 Å²	57.5	28%	0.283	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	101.6	163.7	-64.8	-176.9	-177	-73.7	-13.2	108	R14 E15 E44	R14-R25 WeakPolarHBondContact O-CA 2.77Å; E15-R25 HydrophobicContact CB-CG 4.35Å; E15-R25 HydrophobicContact CG-CG 4.42Å; E15-R25 IonicContact OE2-NH2 2.73Å; R25-E44 HydrophobicContact CB-CB 4.33Å; R25-E44 WeakPolarHBondContact CD-OE2 3.26Å; R25-E44 PolarHBondContact N-O 2.74Å; R25-E44 PolarHBondContact O-N 3.37Å; R25-E44 VanDerWaalsContact O-N 3.13Å
26	R	98.5	Very high	95.8	Very high	35 Å²	35	54.8 Å²	54.8	13%	0.132	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136	179.4	-171.9	157.6	-68.7	154.8	7	111.5	S13 R14 Q16 E18 I28 R30 D43	S13-R26 WeakPolarHBondContact CA-O 3.47Å; S13-R26 WeakPolarHBondContact CB-O 3.47Å; R14-R26 PolarHBondContact N-O 3.45Å; R14-R26 PolarHBondContact O-N 2.97Å; Q16-R26 HydrophobicContact CG-CB 4.47Å; E18-R26 VanDerWaalsContact CD-NH2 3.31Å; E18-R26 IonicContact OE1-CZ 2.89Å; E18-R26 VanDerWaalsContact OE1-CZ 3.23Å; E18-R26 IonicContact OE1-NH1 3.44Å; E18-R26 PolarHBondContact OE1-NH1 2.86Å; E18-R26 IonicContact OE1-NH2 3.4Å; E18-R26 PolarHBondContact OE1-NH2 3.1Å; R26-I28 WeakPolarHBondContact CG-O 3.49Å; R26-R30 HydrophobicContact CB-CG 3.93Å; R26-R30 HydrophobicContact CG-CG 3.73Å; R26-R30 WeakPolarHBondContact O-CD 3.35Å; R26-R30 WeakPolarHBondContact O-CG 3.29Å; R26-R30 PolarHBondContact O-NE 2.75Å; R26-D43 WeakPolarHBondContact CA-OD1 3.39Å; R26-D43 WeakPolarHBondContact CB-OD1 3.44Å; R26-D43 WeakPolarHBondContact CG-OD1 3.2Å; R26-D43 IonicContact CZ-OD1 2.91Å; R26-D43 IonicContact CZ-OD2 3.11Å; R26-D43 IonicContact NE-OD1 2.77Å; R26-D43 PolarHBondContact NE-OD1 3.46Å; R26-D43 IonicContact NE-OD2 3.24Å; R26-D43 PolarHBondContact NE-OD2 3.44Å; R26-D43 IonicContact NH2-OD1 2.72Å; R26-D43 IonicContact NH2-OD2 2.81Å; R26-D43 PolarHBondContact NH2-OD2 3.12Å
27	S	95.1	Very high	95.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.312	C	S	.	.			trans	-114.9	-81.8	174	-154.3	0	0	0	0	112.6	S13 R30 F42 T217	S13-S27 WeakPolarHBondContact OG-CB 3.41Å; S13-S27 PolarHBondContact OG-OG 2.89Å; S13-S27 VanDerWaalsContact OG-OG 3.09Å; S27-R30 WeakPolarHBondContact O-CB 3.37Å; S27-R30 WeakPolarHBondContact O-CG 3.42Å; S27-R30 PolarHBondContact O-N 2.9Å; S27-F42 PolarHBondContact N-O 3.28Å; S27-T217 VanDerWaalsContact CB-OG1 3.25Å; S27-T217 WeakPolarHBondContact CB-OG1 3.26Å; S27-T217 WeakPolarHBondContact OG-CB 3.41Å; S27-T217 PolarHBondContact OG-OG1 3.28Å
28	I	98.4	Very high	96	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	137.7	168.6	-56.1	173.9	0	0	0	107.2	R26 L33 L36 F39 L41 F42 F193	R26-I28 WeakPolarHBondContact CG-O 3.49Å; I28-L33 WeakPolarHBondContact CA-O 3.15Å; I28-L33 HydrophobicContact CG1-CD2 3.84Å; I28-L33 HydrophobicContact CG1-CG 4.35Å; I28-L36 HydrophobicContact CD1-CB 4.22Å; I28-L36 HydrophobicContact CD1-CD2 4.43Å; I28-L36 HydrophobicContact CG2-CB 4.42Å; I28-F39 HydrophobicContact CD1-CB 3.84Å; I28-L41 WeakPolarHBondContact O-CA 3.36Å; I28-F42 HydrophobicContact CB-CB 4.04Å; I28-F42 HydrophobicContact CD1-CB 4.19Å; I28-F42 HydrophobicContact CG1-CB 4.17Å; I28-F42 PolarHBondContact O-N 2.83Å; I28-F42 VanDerWaalsContact O-N 3.1Å; 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 4.1Å; I28-F193 HydrophobicContact CD1-CG 4.42Å; I28-F193 HydrophobicContact CD1-CZ 3.57Å
29	G	97.4	Very high	96.2	Very high	31 Å²	31	46.8 Å²	46.8	32%	0.32	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	-8.1	-171.3	0	0	0	0	0	113.8	L33 K34	G29-L33 PolarHBondContact N-O 3.45Å; G29-K34 VanDerWaalsContact CA-O 3.27Å; G29-K34 WeakPolarHBondContact CA-O 2.96Å; G29-K34 PolarHBondContact N-O 3.02Å
30	R	96.8	Very high	96.5	Very high	20 Å²	20	44.6 Å²	44.6	8%	0.075	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-80.8	159.8	173.5	-64.1	-146.9	-50.5	114.9	7.2	111.9	V11 L12 R26 S27 E32 L33 K34	V11-R30 VanDerWaalsContact CG1-NH2 3.33Å; L12-R30 PolarHBondContact O-NH2 2.84Å; R26-R30 HydrophobicContact CB-CG 3.93Å; R26-R30 HydrophobicContact CG-CG 3.73Å; R26-R30 WeakPolarHBondContact O-CD 3.35Å; R26-R30 WeakPolarHBondContact O-CG 3.29Å; R26-R30 PolarHBondContact O-NE 2.75Å; S27-R30 WeakPolarHBondContact O-CB 3.37Å; S27-R30 WeakPolarHBondContact O-CG 3.42Å; S27-R30 PolarHBondContact O-N 2.9Å; R30-E32 WeakPolarHBondContact CB-OE2 3.24Å; R30-E32 VanDerWaalsContact CZ-CD 3.43Å; R30-E32 IonicContact CZ-OE1 3.52Å; R30-E32 VanDerWaalsContact CZ-OE1 3.24Å; R30-E32 IonicContact CZ-OE2 3.9Å; R30-E32 IonicContact NE-OE2 3.93Å; R30-E32 IonicContact NH1-OE1 3.23Å; R30-E32 PolarHBondContact NH1-OE1 2.62Å; R30-E32 IonicContact NH1-OE2 3.5Å; R30-E32 PolarHBondContact NH1-OE2 3.48Å; R30-E32 IonicContact NH2-OE1 3.85Å; R30-E32 PolarHBondContact NH2-OE1 2.94Å; R30-E32 IonicContact NH2-OE2 2.69Å; R30-E32 PolarHBondContact NH2-OE2 2.92Å; R30-E32 PolarHBondContact O-N 3.14Å; R30-E32 VanDerWaalsContact O-N 3.08Å; R30-L33 CarbonylContact O-C 3.05Å; R30-L33 PolarHBondContact O-N 3Å; R30-K34 WeakPolarHBondContact O-CA 3.41Å; R30-K34 PolarHBondContact O-N 3.37Å
31	P	96.8	Very high	96.8	Very high	107 Å²	107	40.8 Å²	40.8	70%	0.695	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.5	178.1	-29.2	36.5	0	0	0	114.9
32	E	96.4	Very high	97.3	Very high	98 Å²	98	37.3 Å²	37.3	46%	0.458	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19	179.8	-53.7	92.7	139.6	0	0	113.3	R30	R30-E32 WeakPolarHBondContact CB-OE2 3.24Å; R30-E32 VanDerWaalsContact CZ-CD 3.43Å; R30-E32 IonicContact CZ-OE1 3.52Å; R30-E32 VanDerWaalsContact CZ-OE1 3.24Å; R30-E32 IonicContact CZ-OE2 3.9Å; R30-E32 IonicContact NE-OE2 3.93Å; R30-E32 IonicContact NH1-OE1 3.23Å; R30-E32 PolarHBondContact NH1-OE1 2.62Å; R30-E32 IonicContact NH1-OE2 3.5Å; R30-E32 PolarHBondContact NH1-OE2 3.48Å; R30-E32 IonicContact NH2-OE1 3.85Å; R30-E32 PolarHBondContact NH2-OE1 2.94Å; R30-E32 IonicContact NH2-OE2 2.69Å; R30-E32 PolarHBondContact NH2-OE2 2.92Å; R30-E32 PolarHBondContact O-N 3.14Å; R30-E32 VanDerWaalsContact O-N 3.08Å
33	L	96.8	Very high	97.6	Very high	14 Å²	14	37.3 Å²	37.3	7%	0.073	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-150.9	63.8	-178.6	-167.2	61.6	0	0	0	109.9	L9 V11 I28 G29 R30 N35 L36 T217 V219	L9-L33 HydrophobicContact CD2-CD1 4.23Å; V11-L33 HydrophobicContact CG2-CD2 4.39Å; I28-L33 WeakPolarHBondContact CA-O 3.15Å; I28-L33 HydrophobicContact CG1-CD2 3.84Å; I28-L33 HydrophobicContact CG1-CG 4.35Å; G29-L33 PolarHBondContact N-O 3.45Å; R30-L33 CarbonylContact O-C 3.05Å; R30-L33 PolarHBondContact O-N 3Å; L33-N35 VanDerWaalsContact C-N 3.28Å; L33-N35 PolarHBondContact O-N 2.99Å; L33-L36 HydrophobicContact CD1-CB 4.49Å; L33-L36 HydrophobicContact CD1-CD1 4.13Å; L33-T217 HydrophobicContact CD2-CG2 4.04Å; L33-V219 HydrophobicContact CD1-CG2 4.42Å; L33-V219 HydrophobicContact CD2-CG2 4.15Å
34	K	96.4	Very high	97.8	Very high	146 Å²	146	33.1 Å²	33.1	64%	0.635	17%	0.17	S	C	*	.	S	Bend	trans	-57.9	-39.6	-167.7	-69.9	-176.7	-179.1	175.7	0	113.6	G29 R30	G29-K34 VanDerWaalsContact CA-O 3.27Å; G29-K34 WeakPolarHBondContact CA-O 2.96Å; G29-K34 PolarHBondContact N-O 3.02Å; R30-K34 WeakPolarHBondContact O-CA 3.41Å; R30-K34 PolarHBondContact O-N 3.37Å
35	N	96.6	Very high	97.9	Very high	67 Å²	67	33.5 Å²	33.5	36%	0.358	17%	0.172	S	C	.	.			trans	-155.8	165.6	169.3	56.2	32.5	0	0	0	107.3	L33	L33-N35 VanDerWaalsContact C-N 3.28Å; L33-N35 PolarHBondContact O-N 2.99Å
36	L	98.5	Very high	97.8	Very high	32 Å²	32	36.4 Å²	36.4	17%	0.168	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-144	76.8	178.2	-167.7	69.2	0	0	0	107.5	I28 L33 F39 T191 F193 V219	I28-L36 HydrophobicContact CD1-CB 4.22Å; I28-L36 HydrophobicContact CD1-CD2 4.43Å; I28-L36 HydrophobicContact CG2-CB 4.42Å; L33-L36 HydrophobicContact CD1-CB 4.49Å; L33-L36 HydrophobicContact CD1-CD1 4.13Å; L36-F39 CarbonylContact C-O 3.55Å; L36-F39 PolarHBondContact N-O 2.97Å; L36-F39 WeakPolarHBondContact O-CB 3.25Å; L36-F39 WeakPolarHBondContact O-CD2 3.48Å; L36-F39 PolarHBondContact O-N 3.03Å; L36-T191 HydrophobicContact CB-CG2 4.43Å; L36-T191 HydrophobicContact CD1-CG2 4.35Å; L36-T191 HydrophobicContact CD2-CG2 3.69Å; L36-T191 HydrophobicContact CG-CG2 3.48Å; L36-T191 VanDerWaalsContact CG-CG2 3.48Å; L36-F193 HydrophobicContact CD2-CB 4.43Å; L36-F193 HydrophobicContact CD2-CD1 4.2Å; L36-V219 HydrophobicContact CD1-CG1 4.44Å; L36-V219 HydrophobicContact CD2-CG1 4.22Å; L36-V219 HydrophobicContact CD2-CG2 4.16Å
37	D	98.8	Very high	97.7	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-36.9	117.3	-172.3	-179.8	20.2	0	0	0	112.1	T191 P245 L246 R247	D37-T191 WeakPolarHBondContact O-CB 3.25Å; D37-T191 PolarHBondContact O-OG1 2.89Å; D37-P245 HydrophobicContact CB-CB 4.4Å; D37-P245 WeakPolarHBondContact OD2-CB 3.37Å; D37-L246 VanDerWaalsContact CG-N 3.34Å; D37-L246 PolarHBondContact OD1-N 2.9Å; D37-L246 PolarHBondContact OD2-N 3Å; D37-L246 VanDerWaalsContact OD2-N 3.14Å; D37-R247 PolarHBondContact OD2-N 3.07Å
38	P	98.8	Very high	97.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.5	6.9	15.2	37.3	-37.6	0	0	0	116.8	N119 T167 E244 L246	P38-N119 VanDerWaalsContact O-CB 3.24Å; P38-N119 WeakPolarHBondContact O-CB 3.48Å; P38-N119 PolarHBondContact O-N 2.88Å; P38-T167 HydrophobicContact CB-CG2 3.57Å; P38-T167 HydrophobicContact CG-CG2 3.86Å; P38-E244 WeakPolarHBondContact CG-O 3.33Å; P38-L246 HydrophobicContact CB-CG 4.24Å
39	F	98.9	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	130.7	-172.7	-50.6	-60.8	0	0	0	112.1	I28 L36 L116 V118 T169 T191 F193 I241	I28-F39 HydrophobicContact CD1-CB 3.84Å; L36-F39 CarbonylContact C-O 3.55Å; L36-F39 PolarHBondContact N-O 2.97Å; L36-F39 WeakPolarHBondContact O-CB 3.25Å; L36-F39 WeakPolarHBondContact O-CD2 3.48Å; L36-F39 PolarHBondContact O-N 3.03Å; F39-L116 HydrophobicContact CB-CD1 4.25Å; F39-L116 HydrophobicContact CD1-CD1 3.77Å; F39-L116 HydrophobicContact CD1-CD2 4.08Å; F39-L116 HydrophobicContact CD1-CG 4.27Å; F39-L116 HydrophobicContact CE1-CD2 4.09Å; F39-L116 HydrophobicContact CG-CD1 4.22Å; F39-V118 HydrophobicContact CD1-CG2 4.27Å; F39-V118 HydrophobicContact CE1-CG2 4.33Å; F39-T169 HydrophobicContact CE1-CG2 4.1Å; F39-T169 HydrophobicContact CZ-CG2 4.41Å; F39-T191 HydrophobicContact CD2-CG2 3.96Å; F39-T191 HydrophobicContact CE2-CG2 3.97Å; F39-F193 HydrophobicContact CD2-CD1 4.07Å; F39-F193 AromaticContact CD2-CE1 3.61Å; F39-F193 HydrophobicContact CD2-CE1 3.61Å; F39-F193 HydrophobicContact CE2-CD1 4.24Å; F39-F193 AromaticContact CE2-CE1 3.9Å; F39-F193 HydrophobicContact CE2-CE1 3.9Å; F39-F193 HydrophobicContact CG-CE1 4Å; F39-I241 HydrophobicContact CD1-CG2 4.33Å; F39-I241 HydrophobicContact CE1-CG2 3.66Å; F39-I241 HydrophobicContact CE2-CG2 3.99Å; F39-I241 HydrophobicContact CZ-CG2 3.45Å; F39-I241 VanDerWaalsContact CZ-CG2 3.45Å
40	L	98.8	Very high	97.6	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	-37.6	-174	-59.6	168.2	0	0	0	112.1	F61 W117 N119 V250 V257	L40-F61 HydrophobicContact CD1-CB 3.7Å; L40-F61 HydrophobicContact CD1-CD1 4.35Å; L40-F61 HydrophobicContact CD1-CD2 4.35Å; L40-F61 HydrophobicContact CD1-CG 3.91Å; L40-W117 HydrophobicContact CB-CB 3.87Å; L40-W117 HydrophobicContact CB-CE3 4.44Å; L40-W117 HydrophobicContact CD1-CB 4.45Å; L40-W117 PolarHBondContact N-O 2.92Å; L40-N119 HydrophobicContact CD1-CB 3.75Å; 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 4.11Å; L40-V257 HydrophobicContact CD1-CG1 3.85Å; L40-V257 HydrophobicContact CD1-CG2 4.06Å; L40-V257 HydrophobicContact CD2-CG1 3.93Å
41	L	98.8	Very high	97.5	Very high	11 Å²	11	48 Å²	48	6%	0.058	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	143.7	-175	179.5	151.5	0	0	0	109.1	I28 D43 W117	I28-L41 WeakPolarHBondContact O-CA 3.36Å; L41-D43 HydrophobicContact CD2-CB 4.11Å; L41-W117 HydrophobicContact CB-CB 3.98Å; L41-W117 HydrophobicContact CB-CD2 3.86Å; L41-W117 HydrophobicContact CB-CE3 4.03Å; L41-W117 HydrophobicContact CB-CG 3.86Å; L41-W117 HydrophobicContact CD1-CD2 4.29Å; L41-W117 HydrophobicContact CD1-CE3 4.36Å; L41-W117 HydrophobicContact CD1-CH2 4.41Å; L41-W117 HydrophobicContact CD1-CZ2 4.3Å; L41-W117 HydrophobicContact CD1-CZ3 4.44Å; L41-W117 HydrophobicContact CD2-CD2 4.42Å; L41-W117 HydrophobicContact CD2-CG 4.31Å; L41-W117 HydrophobicContact CG-CD2 4.44Å; L41-W117 PolarHBondContact O-N 2.72Å
42	F	98.9	Very high	97.5	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	-142.7	116.4	169.7	-173.6	-100.7	0	0	0	110	S27 I28 L114 Q115 L116 F193 Y195 V239 I241	S27-F42 PolarHBondContact N-O 3.28Å; I28-F42 HydrophobicContact CB-CB 4.04Å; I28-F42 HydrophobicContact CD1-CB 4.19Å; I28-F42 HydrophobicContact CG1-CB 4.17Å; I28-F42 PolarHBondContact O-N 2.83Å; I28-F42 VanDerWaalsContact O-N 3.1Å; F42-L114 HydrophobicContact CE1-CD2 4.4Å; F42-L114 HydrophobicContact CE2-CB 4.26Å; F42-L114 HydrophobicContact CZ-CB 4.14Å; F42-L114 HydrophobicContact CZ-CD1 4.15Å; F42-L114 HydrophobicContact CZ-CD2 3.98Å; F42-L114 HydrophobicContact CZ-CG 4.31Å; F42-Q115 WeakPolarHBondContact CA-O 3.41Å; F42-L116 HydrophobicContact CB-CD1 4.25Å; F42-L116 HydrophobicContact CD2-CB 3.87Å; F42-L116 HydrophobicContact CD2-CD1 3.7Å; F42-L116 HydrophobicContact CD2-CG 4.38Å; F42-L116 HydrophobicContact CE2-CB 4.28Å; F42-L116 HydrophobicContact CG-CD1 4.41Å; F42-F193 HydrophobicContact CD1-CE2 4.29Å; F42-F193 HydrophobicContact CD2-CZ 4.37Å; F42-F193 HydrophobicContact CG-CE2 4.25Å; F42-F193 HydrophobicContact CG-CZ 4.29Å; F42-Y195 HydrophobicContact CD1-CD2 4.06Å; F42-Y195 HydrophobicContact CD1-CG 4.15Å; F42-Y195 AromaticContact CE1-CD1 3.63Å; F42-Y195 HydrophobicContact CE1-CD1 3.63Å; F42-Y195 AromaticContact CE1-CD2 3.69Å; F42-Y195 HydrophobicContact CE1-CD2 3.69Å; F42-Y195 HydrophobicContact CE1-CE1 4.18Å; F42-Y195 HydrophobicContact CE1-CE2 4.2Å; F42-Y195 AromaticContact CE1-CG 3.34Å; F42-Y195 HydrophobicContact CE1-CG 3.34Å; F42-Y195 HydrophobicContact CZ-CD1 4.21Å; F42-Y195 HydrophobicContact CZ-CG 4.18Å; F42-V239 HydrophobicContact CZ-CG2 3.93Å; F42-I241 HydrophobicContact CD2-CD1 4.08Å; F42-I241 HydrophobicContact CE2-CD1 3.59Å; F42-I241 HydrophobicContact CZ-CD1 4.13Å
43	D	98.8	Very high	97.6	Very high	8 Å²	8	39.4 Å²	39.4	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135	-178.3	-78.6	-10.8	0	0	0	110.6	V24 R26 L41 L114 Q115	V24-D43 HydrophobicContact CB-CB 4.08Å; V24-D43 HydrophobicContact CG1-CB 4.42Å; R26-D43 WeakPolarHBondContact CA-OD1 3.39Å; R26-D43 WeakPolarHBondContact CB-OD1 3.44Å; R26-D43 WeakPolarHBondContact CG-OD1 3.2Å; R26-D43 IonicContact CZ-OD1 2.91Å; R26-D43 IonicContact CZ-OD2 3.11Å; R26-D43 IonicContact NE-OD1 2.77Å; R26-D43 PolarHBondContact NE-OD1 3.46Å; R26-D43 IonicContact NE-OD2 3.24Å; R26-D43 PolarHBondContact NE-OD2 3.44Å; R26-D43 IonicContact NH2-OD1 2.72Å; R26-D43 IonicContact NH2-OD2 2.81Å; R26-D43 PolarHBondContact NH2-OD2 3.12Å; L41-D43 HydrophobicContact CD2-CB 4.11Å; D43-L114 CarbonylContact O-C 3.49Å; D43-L114 WeakPolarHBondContact O-CA 3.46Å; D43-Q115 PolarHBondContact N-O 2.85Å; D43-Q115 PolarHBondContact O-N 2.93Å
44	E	98.9	Very high	97.7	Very high	9 Å²	9	40.3 Å²	40.3	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.7	157.2	175.4	-173.9	-150.8	0	0	107.9	V24 R25 H112 G113 L114 Y195 H215	V24-E44 CarbonylContact C-O 3.57Å; V24-E44 VanDerWaalsContact CA-O 3.32Å; V24-E44 WeakPolarHBondContact CA-O 3.5Å; R25-E44 HydrophobicContact CB-CB 4.33Å; R25-E44 WeakPolarHBondContact CD-OE2 3.26Å; R25-E44 PolarHBondContact N-O 2.74Å; R25-E44 PolarHBondContact O-N 3.37Å; R25-E44 VanDerWaalsContact O-N 3.13Å; E44-H112 IonicContact OE1-CD2 2.8Å; E44-H112 IonicContact OE1-CE1 3.02Å; E44-H112 PolarHBondContact OE1-CE1 2.86Å; E44-H112 IonicContact OE1-NE2 3.18Å; E44-H112 PolarHBondContact OE1-NE2 2.86Å; E44-G113 CarbonylContact C-O 3.56Å; E44-G113 WeakPolarHBondContact CA-O 3.42Å; E44-L114 HydrophobicContact CB-CD2 3.77Å; E44-L114 HydrophobicContact CG-CD2 3.98Å; E44-Y195 HydrophobicContact CB-CE1 3.95Å; E44-Y195 WeakPolarHBondContact CB-OH 3.25Å; E44-Y195 HydrophobicContact CG-CE1 4.44Å; E44-Y195 PolarHBondContact OE2-OH 2.87Å; E44-H215 IonicContact OE1-CE1 3.31Å; E44-H215 IonicContact OE2-CE1 2.95Å; E44-H215 PolarHBondContact OE2-CE1 3.19Å; E44-H215 IonicContact OE2-ND1 3.48Å; E44-H215 PolarHBondContact OE2-ND1 3.3Å
45	F	98.2	Very high	97.8	Very high	9 Å²	9	35.7 Å²	35.7	4%	0.039	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.8	178.9	73.4	-94.3	0	0	0	111.4	V24 F53 L67 M73 A111 H112 G113	V24-F45 HydrophobicContact CG1-CB 3.85Å; F45-F53 HydrophobicContact CB-CZ 4.33Å; F45-L67 HydrophobicContact CE2-CD1 4.46Å; F45-L67 HydrophobicContact CZ-CD1 3.7Å; F45-M73 HydrophobicContact CE2-CE 4.22Å; F45-M73 HydrophobicContact CE2-CG 4.09Å; F45-M73 HydrophobicContact CE2-SD 3.86Å; F45-M73 HydrophobicContact CZ-CE 4.35Å; F45-M73 HydrophobicContact CZ-CG 4.03Å; F45-M73 HydrophobicContact CZ-SD 4.29Å; F45-A111 HydrophobicContact CE2-CB 3.97Å; F45-H112 WeakPolarHBondContact O-CA 3.3Å; F45-H112 PolarHBondContact O-CD2 2.93Å; F45-G113 VanDerWaalsContact CD1-C 3.42Å; F45-G113 VanDerWaalsContact CD1-O 3.29Å; F45-G113 WeakPolarHBondContact CD1-O 3.36Å; F45-G113 PolarHBondContact N-O 2.82Å; F45-G113 PolarHBondContact O-N 3.11Å
46	K	96.8	Very high	97.9	Very high	136 Å²	136	34.5 Å²	34.5	59%	0.591	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-141.3	119.9	167.8	-168.2	168.2	-176.5	166.2	0	109.7	R23 A111 H112	R23-K46 PolarHBondContact O-N 3.12Å; K46-A111 VanDerWaalsContact CA-O 3.28Å; K46-A111 WeakPolarHBondContact CA-O 3.45Å; K46-H112 HydrophobicContact CG-CB 4.39Å
47	G	96.1	Very high	97.9	Very high	14 Å²	14	33.7 Å²	33.7	14%	0.144	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	152.8	-172.7	0	0	0	0	0	113.2	P110 A111	G47-P110 CarbonylContact O-C 3.57Å; G47-P110 VanDerWaalsContact O-CA 3.28Å; G47-P110 WeakPolarHBondContact O-CA 3.34Å; G47-A111 PolarHBondContact N-O 2.82Å; G47-A111 PolarHBondContact O-N 3.01Å
48	G	96.8	Very high	97.9	Very high	23 Å²	23	31.9 Å²	31.9	24%	0.237	17%	0.17	C	C	.	.			trans	-128.2	178.2	179.2	0	0	0	0	0	112	G51	G48-G51 PolarHBondContact O-N 3.16Å
49	R	97.5	Very high	97.9	Very high	154 Å²	154	32.1 Å²	32.1	58%	0.581	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	148.6	176.1	-65	174.8	68.4	-148.9	-0.5	111.1	P105 S107 E108	R49-P105 HydrophobicContact CG-CB 4.49Å; R49-P105 WeakPolarHBondContact CG-O 3.34Å; R49-S107 WeakPolarHBondContact CD-O 3.35Å; R49-E108 IonicContact NH1-OE1 2.68Å; R49-E108 PolarHBondContact NH1-OE1 2.94Å
50	P	96.1	Very high	97.9	Very high	128 Å²	128	32.1 Å²	32.1	83%	0.831	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	cis	-89.9	6.4	0.5	37.5	-36.4	0	0	0	113.9
51	G	94.6	Very high	97.9	Very high	9 Å²	9	32 Å²	32	9%	0.093	17%	0.17	C	C	.	.			trans	-77.2	173.2	-179.1	0	0	0	0	0	113.3	V20 G48 P105	V20-G51 CarbonylContact O-C 3.49Å; V20-G51 WeakPolarHBondContact O-CA 3.49Å; G48-G51 PolarHBondContact O-N 3.16Å; G51-P105 VanDerWaalsContact O-CD 3.22Å; G51-P105 WeakPolarHBondContact O-CD 3.3Å
52	G	97.2	Very high	97.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	160	-157.4	179.3	0	0	0	0	0	112.4	V20 P54	V20-G52 PolarHBondContact N-O 2.88Å; V20-G52 PolarHBondContact O-N 2.91Å; G52-P54 WeakPolarHBondContact O-CD 3.42Å
53	F	98.4	Very high	97.9	Very high	25 Å²	25	31.5 Å²	31.5	11%	0.11	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	87.9	176.8	-50.7	-84.3	0	0	0	109	E18 A22 V24 F45 M73 A102 E103 M104	E18-F53 HydrophobicContact CB-CE1 3.86Å; A22-F53 HydrophobicContact CB-CE1 4.24Å; A22-F53 HydrophobicContact CB-CE2 4.49Å; A22-F53 HydrophobicContact CB-CZ 4.06Å; V24-F53 HydrophobicContact CG1-CE1 4.21Å; V24-F53 HydrophobicContact CG1-CZ 3.9Å; F45-F53 HydrophobicContact CB-CZ 4.33Å; F53-M73 HydrophobicContact CD2-CE 4.39Å; F53-A102 CarbonylContact O-C 3.43Å; F53-A102 WeakPolarHBondContact O-CA 3.39Å; F53-E103 HydrophobicContact CB-CB 4.28Å; F53-E103 WeakPolarHBondContact CB-O 3.42Å; F53-E103 HydrophobicContact CD2-CB 4.38Å; F53-E103 PolarHBondContact N-O 2.91Å; F53-E103 PolarHBondContact O-N 2.92Å; F53-M104 PolarHBondContact N-SD 2.89Å; F53-M104 VanDerWaalsContact N-SD 3.41Å
54	P	98.4	Very high	98	Very high	33 Å²	33	31.1 Å²	31.1	21%	0.214	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	-177.5	-178.1	32.4	-38	0	0	0	111.3	V20 G52 H56 M104	V20-P54 HydrophobicContact CB-CG 4.49Å; V20-P54 HydrophobicContact CG2-CG 3.78Å; G52-P54 WeakPolarHBondContact O-CD 3.42Å; P54-H56 PolarHBondContact O-N 3.25Å; P54-H56 PolarHBondContact O-ND1 3.04Å; P54-M104 HydrophobicContact CB-SD 4.45Å
55	D	98.6	Very high	98	Very high	49 Å²	49	30.9 Å²	30.9	26%	0.262	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-38.2	106.7	-175.7	-57.3	10.3	0	0	0	113.7	L100 H101 W284 K285 S286	D55-L100 HydrophobicContact CB-CD1 4.46Å; D55-H101 CarbonylContact C-O 3.6Å; D55-H101 WeakPolarHBondContact CA-O 3.43Å; D55-W284 HydrophobicContact CB-CZ3 3.87Å; D55-W284 VanDerWaalsContact CG-CZ3 3.5Å; D55-K285 VanDerWaalsContact OD2-CA 3.29Å; D55-K285 WeakPolarHBondContact OD2-CA 3.45Å; D55-S286 WeakPolarHBondContact OD1-CB 3.36Å; D55-S286 PolarHBondContact OD1-OG 2.97Å; D55-S286 PolarHBondContact OD2-N 3.08Å
56	H	98.6	Very high	98	Very high	42 Å²	42	30.8 Å²	30.8	19%	0.194	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	147.6	179.3	65.7	-80.1	0	0	0	111.9	P54 H58 L100 H101 E103	P54-H56 PolarHBondContact O-N 3.25Å; P54-H56 PolarHBondContact O-ND1 3.04Å; H56-H58 AromaticContact CD2-CD2 3.94Å; H56-H58 AromaticContact CD2-CE1 3.61Å; H56-H58 AromaticContact CD2-NE2 3.12Å; H56-H58 PolarHBondContact CD2-NE2 3.04Å; H56-H58 AromaticContact NE2-CD2 3.96Å; H56-H58 AromaticContact NE2-CE1 3.73Å; H56-H58 AromaticContact NE2-NE2 2.98Å; H56-H58 PolarHBondContact NE2-NE2 2.9Å; H56-L100 VanDerWaalsContact C-CD1 3.41Å; H56-L100 WeakPolarHBondContact O-CD1 3.5Å; H56-H101 AromaticContact CE1-CD2 3.69Å; H56-H101 AromaticContact CE1-NE2 3.52Å; H56-H101 PolarHBondContact N-O 2.96Å; H56-H101 PolarHBondContact ND1-O 3.01Å; H56-H101 AromaticContact NE2-CD2 3.7Å; H56-H101 AromaticContact NE2-NE2 3.25Å; H56-H101 PolarHBondContact NE2-NE2 3.18Å; H56-H101 PolarHBondContact O-N 3.36Å; H56-H101 VanDerWaalsContact O-N 3.09Å; H56-E103 IonicContact CE1-OE2 3.48Å; H56-E103 IonicContact NE2-OE2 3.8Å
57	P	98.7	Very high	98.1	Very high	14 Å²	14	24.4 Å²	24.4	9%	0.091	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	166.4	-177.4	36	-34.9	0	0	0	112.8	I99 L100 P255 F256 F271 F278	P57-I99 CarbonylContact C-O 3.58Å; P57-I99 WeakPolarHBondContact CA-O 3.25Å; P57-L100 HydrophobicContact CB-CD1 4.41Å; P57-P255 HydrophobicContact CG-CB 4.12Å; P57-P255 HydrophobicContact CG-CG 3.85Å; P57-P255 WeakPolarHBondContact O-CB 3.45Å; P57-F256 HydrophobicContact CB-CE1 4.07Å; P57-F256 HydrophobicContact CB-CZ 4.38Å; P57-F256 HydrophobicContact CG-CE1 4.04Å; P57-F256 HydrophobicContact CG-CZ 4.01Å; P57-F271 HydrophobicContact CB-CD2 3.89Å; P57-F271 HydrophobicContact CB-CE2 3.69Å; P57-F271 HydrophobicContact CB-CZ 4.15Å; P57-F271 HydrophobicContact CG-CD1 4.39Å; P57-F271 HydrophobicContact CG-CD2 4.2Å; P57-F271 HydrophobicContact CG-CE1 4.09Å; P57-F271 HydrophobicContact CG-CE2 3.89Å; P57-F271 HydrophobicContact CG-CG 4.44Å; P57-F271 HydrophobicContact CG-CZ 3.83Å; P57-F278 HydrophobicContact CB-CE1 3.98Å; P57-F278 HydrophobicContact CB-CZ 4.35Å
58	H	98.9	Very high	98.2	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.4	163.6	-65.4	-69.2	0	0	0	110.9	H56 F61 A95 G98 I99 H101 W117 P255	H56-H58 AromaticContact CD2-CD2 3.94Å; H56-H58 AromaticContact CD2-CE1 3.61Å; H56-H58 AromaticContact CD2-NE2 3.12Å; H56-H58 PolarHBondContact CD2-NE2 3.04Å; H56-H58 AromaticContact NE2-CD2 3.96Å; H56-H58 AromaticContact NE2-CE1 3.73Å; H56-H58 AromaticContact NE2-NE2 2.98Å; H56-H58 PolarHBondContact NE2-NE2 2.9Å; H58-F61 HydrophobicContact CB-CZ 4.08Å; H58-F61 AromaticContact ND1-CE2 3.8Å; H58-F61 AromaticContact ND1-CZ 3.31Å; H58-F61 VanDerWaalsContact ND1-CZ 3.31Å; H58-F61 WeakPolarHBondContact ND1-CZ 3.29Å; H58-A95 HydrophobicContact CB-CB 3.73Å; H58-G98 WeakPolarHBondContact O-CA 3.33Å; H58-I99 PolarHBondContact N-O 3.41Å; H58-I99 PolarHBondContact O-N 3.16Å; H58-I99 VanDerWaalsContact O-N 3.08Å; H58-H101 AromaticContact CD2-CD2 3.91Å; H58-H101 AromaticContact CD2-NE2 3.31Å; H58-H101 PolarHBondContact CD2-NE2 3.43Å; H58-H101 VanDerWaalsContact CD2-NE2 3.31Å; H58-H101 AromaticContact NE2-NE2 3.31Å; H58-H101 PolarHBondContact NE2-NE2 2.9Å; H58-W117 AromaticContact CE1-CZ2 3.52Å; H58-W117 AromaticContact ND1-CZ2 3.91Å; H58-P255 WeakPolarHBondContact CA-O 3.41Å
59	R	98.9	Very high	98.3	Very high	4 Å²	4	30.5 Å²	30.5	2%	0.015	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-149.3	139.3	170.1	177	179.1	-78.2	-167.6	-3.7	112	F61 G96 R97 M126 P255 F256 V257 M258 D270 N276 F278	R59-F61 WeakPolarHBondContact O-CD1 3.48Å; R59-F61 WeakPolarHBondContact O-CE1 3.4Å; R59-G96 WeakPolarHBondContact CA-O 3.36Å; R59-G96 WeakPolarHBondContact CG-O 3.47Å; R59-R97 PolarHBondContact NE-O 2.92Å; R59-R97 PolarHBondContact NH2-O 2.85Å; R59-M126 HydrophobicContact CG-SD 4.46Å; R59-P255 PolarHBondContact N-O 3.49Å; R59-F256 HydrophobicContact CB-CD1 3.81Å; R59-F256 HydrophobicContact CB-CE1 4.4Å; R59-V257 PolarHBondContact O-N 2.73Å; R59-V257 VanDerWaalsContact O-N 3.16Å; R59-M258 HydrophobicContact CG-SD 3.95Å; R59-D270 IonicContact CZ-OD2 2.91Å; R59-D270 IonicContact NH1-OD2 3.66Å; R59-D270 PolarHBondContact NH1-OD2 3.1Å; R59-D270 IonicContact NH2-OD2 3.98Å; R59-D270 PolarHBondContact NH2-OD2 2.64Å; R59-N276 PolarHBondContact NH2-O 3.41Å; R59-F278 HydrophobicContact CB-CE2 4.49Å; R59-F278 HydrophobicContact CB-CZ 4.16Å
60	G	98.8	Very high	98.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	90.8	6.3	166	0	0	0	0	0	116.1	G96 K125	G60-G96 PolarHBondContact N-O 2.87Å; G60-K125 PolarHBondContact O-NZ 3.38Å
61	F	98.9	Very high	98.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	-175.2	-179.4	61.5	-87.5	0	0	0	111.2	L40 H58 R59 T63 A95 W117 V118 P255 V257	L40-F61 HydrophobicContact CD1-CB 3.7Å; L40-F61 HydrophobicContact CD1-CD1 4.35Å; L40-F61 HydrophobicContact CD1-CD2 4.35Å; L40-F61 HydrophobicContact CD1-CG 3.91Å; H58-F61 HydrophobicContact CB-CZ 4.08Å; H58-F61 AromaticContact ND1-CE2 3.8Å; H58-F61 AromaticContact ND1-CZ 3.31Å; H58-F61 VanDerWaalsContact ND1-CZ 3.31Å; H58-F61 WeakPolarHBondContact ND1-CZ 3.29Å; R59-F61 WeakPolarHBondContact O-CD1 3.48Å; R59-F61 WeakPolarHBondContact O-CE1 3.4Å; F61-T63 HydrophobicContact CD2-CG2 4.37Å; F61-T63 HydrophobicContact CE2-CG2 3.81Å; F61-A95 VanDerWaalsContact O-CB 3.31Å; F61-A95 WeakPolarHBondContact O-CB 3.49Å; F61-A95 PolarHBondContact O-N 2.81Å; F61-W117 HydrophobicContact CD2-CB 4.08Å; F61-W117 HydrophobicContact CD2-CD2 4.07Å; F61-W117 HydrophobicContact CD2-CE3 4.17Å; F61-W117 HydrophobicContact CD2-CG 4.05Å; F61-W117 HydrophobicContact CE1-CE3 4.28Å; F61-W117 HydrophobicContact CE1-CZ3 4.24Å; F61-W117 HydrophobicContact CE2-CB 4.2Å; 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 3.82Å; F61-W117 HydrophobicContact CZ-CD2 3.82Å; F61-W117 AromaticContact CZ-CE3 3.49Å; F61-W117 HydrophobicContact CZ-CE3 3.49Å; F61-W117 VanDerWaalsContact CZ-CE3 3.49Å; F61-W117 AromaticContact CZ-CH2 3.88Å; F61-W117 HydrophobicContact CZ-CH2 3.88Å; F61-W117 HydrophobicContact CZ-CZ2 4.19Å; F61-W117 AromaticContact CZ-CZ3 3.51Å; F61-W117 HydrophobicContact CZ-CZ3 3.51Å; F61-V118 WeakPolarHBondContact CB-O 2.99Å; F61-P255 WeakPolarHBondContact CE1-O 3.36Å; F61-V257 HydrophobicContact CD1-CB 3.72Å; F61-V257 HydrophobicContact CD1-CG2 3.79Å; F61-V257 HydrophobicContact CE1-CB 4.15Å; F61-V257 HydrophobicContact CE1-CG2 3.78Å
62	E	98.9	Very high	98.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.9	176.5	-43.2	-167.4	108.7	0	0	111	W92 M93 T94 W117 V118 L120 R166	E62-W92 VanDerWaalsContact CD-NE1 3.32Å; E62-W92 PolarHBondContact OE2-NE1 2.87Å; E62-M93 CarbonylContact C-O 3.53Å; E62-M93 WeakPolarHBondContact CA-O 3.35Å; E62-M93 WeakPolarHBondContact CB-O 3.35Å; E62-T94 HydrophobicContact CG-CG2 4.26Å; E62-T94 WeakPolarHBondContact OE1-CB 3.49Å; E62-T94 PolarHBondContact OE1-OG1 2.92Å; E62-W117 CarbonylContact O-C 2.97Å; E62-W117 VanDerWaalsContact O-CA 3.31Å; E62-W117 WeakPolarHBondContact O-CA 3.38Å; E62-V118 HydrophobicContact CB-CB 4.42Å; E62-V118 PolarHBondContact N-O 2.88Å; E62-V118 PolarHBondContact O-N 3.46Å; E62-L120 HydrophobicContact CG-CD1 4.17Å; E62-L120 HydrophobicContact CG-CD2 3.75Å; E62-L120 HydrophobicContact CG-CG 3.9Å; E62-R166 IonicContact OE1-NH1 2.84Å
63	T	98.9	Very high	98.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	134	166.2	65.4	0	0	0	0	109.4	F61 M93 L116 W117	F61-T63 HydrophobicContact CD2-CG2 4.37Å; F61-T63 HydrophobicContact CE2-CG2 3.81Å; T63-M93 HydrophobicContact CG2-CE 4.24Å; T63-M93 PolarHBondContact N-O 2.99Å; T63-M93 PolarHBondContact O-N 2.75Å; T63-M93 WeakPolarHBondContact OG1-CE 3.17Å; T63-L116 CarbonylContact C-O 3.57Å; T63-L116 WeakPolarHBondContact CA-O 3.22Å; T63-W117 HydrophobicContact CG2-CG 4.43Å
64	V	98.9	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106.7	177.7	-170.8	0	0	0	0	107.9	L90 Q91 W92 Q115 L116 V118 Y171	V64-L90 HydrophobicContact CG1-CD1 3.66Å; V64-Q91 CarbonylContact C-O 3.54Å; V64-Q91 WeakPolarHBondContact CA-O 3.47Å; V64-W92 HydrophobicContact CB-CD2 4.4Å; V64-W92 HydrophobicContact CB-CE3 4.36Å; V64-W92 HydrophobicContact CG1-CD2 4.02Å; V64-W92 HydrophobicContact CG1-CE3 3.57Å; V64-W92 HydrophobicContact CG1-CZ3 3.98Å; V64-W92 HydrophobicContact CG2-CD2 3.51Å; V64-W92 HydrophobicContact CG2-CE3 3.82Å; V64-W92 HydrophobicContact CG2-CG 3.94Å; V64-W92 HydrophobicContact CG2-CH2 4.13Å; V64-W92 HydrophobicContact CG2-CZ2 3.86Å; V64-W92 HydrophobicContact CG2-CZ3 4.12Å; V64-Q115 WeakPolarHBondContact O-CA 3.41Å; V64-L116 HydrophobicContact CB-CB 4.25Å; V64-L116 PolarHBondContact N-O 2.89Å; V64-L116 PolarHBondContact O-N 2.65Å; V64-V118 HydrophobicContact CG2-CG2 4.09Å; V64-Y171 HydrophobicContact CG1-CD2 4.22Å; V64-Y171 HydrophobicContact CG1-CE2 4.14Å
65	S	98.9	Very high	98.8	Very high	4 Å²	4	17.7 Å²	17.7	3%	0.028	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.4	178.5	-63.4	0	0	0	0	109	M85 Q91 E103 L114	S65-M85 WeakPolarHBondContact O-CE 3.19Å; S65-Q91 PolarHBondContact N-O 2.85Å; S65-Q91 PolarHBondContact O-N 3.15Å; S65-E103 PolarHBondContact OG-OE1 2.87Å; S65-L114 WeakPolarHBondContact CA-O 3.38Å
66	Y	98.9	Very high	98.8	Very high	7 Å²	7	16.4 Å²	16.4	3%	0.027	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	125.2	178.3	177.1	-115.1	0	0	0	109.9	L68 D89 G113 L114 I139 I152 D173	Y66-L68 HydrophobicContact CD1-CD2 4.03Å; Y66-L68 HydrophobicContact CE1-CD2 3.76Å; Y66-D89 WeakPolarHBondContact CD2-O 3.18Å; Y66-G113 CarbonylContact O-C 3.52Å; Y66-G113 VanDerWaalsContact O-CA 3.3Å; Y66-G113 WeakPolarHBondContact O-CA 3.37Å; Y66-L114 HydrophobicContact CD1-CD1 4.4Å; Y66-L114 PolarHBondContact N-O 3.12Å; Y66-L114 PolarHBondContact O-N 3.02Å; Y66-I139 HydrophobicContact CE2-CD1 4.2Å; Y66-I152 HydrophobicContact CD1-CD1 3.89Å; Y66-I152 HydrophobicContact CD2-CD1 3.99Å; Y66-I152 HydrophobicContact CD2-CG1 4.26Å; Y66-I152 HydrophobicContact CE1-CD1 3.98Å; Y66-I152 HydrophobicContact CE2-CD1 4.09Å; Y66-I152 HydrophobicContact CE2-CG1 4.2Å; Y66-I152 HydrophobicContact CG-CD1 3.88Å; Y66-D173 HydrophobicContact CE1-CB 3.94Å; Y66-D173 WeakPolarHBondContact CE1-OD2 3.39Å; Y66-D173 PolarHBondContact OH-OD2 3.44Å
67	L	98.9	Very high	98.8	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.01	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.6	-174.9	-129.6	68.9	0	0	0	111.6	F45 G71 M73 M85 N86 G88 D89	F45-L67 HydrophobicContact CE2-CD1 4.46Å; F45-L67 HydrophobicContact CZ-CD1 3.7Å; L67-G71 WeakPolarHBondContact CD2-O 3.43Å; L67-M73 HydrophobicContact CD1-CB 4.23Å; L67-M73 HydrophobicContact CD1-CG 3.6Å; L67-M73 HydrophobicContact CD2-CG 4.38Å; L67-M85 HydrophobicContact CD2-CB 4.14Å; L67-M85 WeakPolarHBondContact CD2-O 3.38Å; L67-N86 WeakPolarHBondContact CB-O 3.34Å; L67-G88 WeakPolarHBondContact O-CA 3.33Å; L67-G88 PolarHBondContact O-N 3.48Å; L67-D89 PolarHBondContact N-O 2.95Å; L67-D89 VanDerWaalsContact N-O 3.12Å
68	L	98.8	Very high	98.7	Very high	9 Å²	9	15.1 Å²	15.1	5%	0.047	8%	0.083	C	C	.	.			trans	-90.4	-177.8	171.5	-55	177.9	0	0	0	109.6	Y66 G70 P87 H112 L114 I197	Y66-L68 HydrophobicContact CD1-CD2 4.03Å; Y66-L68 HydrophobicContact CE1-CD2 3.76Å; L68-G70 PolarHBondContact O-N 3.18Å; L68-P87 WeakPolarHBondContact O-CA 3.48Å; L68-P87 WeakPolarHBondContact O-CB 3.43Å; L68-H112 WeakPolarHBondContact CA-O 3.27Å; L68-H112 HydrophobicContact CB-CB 4.41Å; L68-H112 WeakPolarHBondContact CB-O 3.22Å; L68-H112 PolarHBondContact N-O 2.84Å; L68-L114 HydrophobicContact CD1-CD1 4.45Å; L68-L114 HydrophobicContact CD1-CD2 4.3Å; L68-L114 HydrophobicContact CD1-CG 4.12Å; L68-L114 HydrophobicContact CD2-CD1 4.3Å; L68-L114 HydrophobicContact CG-CG 4.39Å; L68-I197 HydrophobicContact CD1-CD1 4.14Å; L68-I197 HydrophobicContact CD1-CG2 4.01Å; L68-I197 HydrophobicContact CD2-CD1 4.27Å
69	E	98.5	Very high	98.6	Very high	156 Å²	156	19.9 Å²	19.9	73%	0.729	12%	0.116	S	C	*	.	S	Bend	trans	-59.7	135	174.1	-66.7	-60.9	152.9	0	0	111.7
70	G	98.1	Very high	98.4	Very high	27 Å²	27	22.3 Å²	22.3	28%	0.278	14%	0.142	S	C	.	.	S	Bend	trans	141.6	-150.1	-178.3	0	0	0	0	0	112.3	L68 P87	L68-G70 PolarHBondContact O-N 3.18Å; G70-P87 VanDerWaalsContact O-CG 3.31Å; G70-P87 WeakPolarHBondContact O-CG 3.39Å
71	G	98.5	Very high	98.4	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.031	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-70.1	170.9	178	0	0	0	0	0	115.3	L67 S107 E109 P110	L67-G71 WeakPolarHBondContact CD2-O 3.43Å; G71-S107 WeakPolarHBondContact CA-OG 3.23Å; G71-E109 WeakPolarHBondContact CA-O 3.26Å; G71-P110 PolarHBondContact N-O 2.81Å
72	S	98.9	Very high	98.4	Very high	16 Å²	16	29.7 Å²	29.7	11%	0.112	18%	0.183	C	C	.	.			trans	-91.9	154	178.3	-58.1	0	0	0	0	112.5	M85 N86 C106 S107	S72-M85 VanDerWaalsContact CA-O 3.23Å; S72-M85 WeakPolarHBondContact CA-O 3.43Å; S72-M85 VanDerWaalsContact CB-O 3.26Å; S72-M85 WeakPolarHBondContact CB-O 3.46Å; S72-N86 PolarHBondContact OG-OD1 2.95Å; S72-C106 VanDerWaalsContact CB-SG 3.55Å; S72-C106 PolarHBondContact O-N 3.42Å; S72-S107 PolarHBondContact N-OG 3.08Å
73	M	98.9	Very high	98.4	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.049	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.9	169.7	-69.2	-70.8	-72.1	0	0	110.5	F45 F53 L67 K84 M85 E103 P105 A111	F45-M73 HydrophobicContact CE2-CE 4.22Å; F45-M73 HydrophobicContact CE2-CG 4.09Å; F45-M73 HydrophobicContact CE2-SD 3.86Å; F45-M73 HydrophobicContact CZ-CE 4.35Å; F45-M73 HydrophobicContact CZ-CG 4.03Å; F45-M73 HydrophobicContact CZ-SD 4.29Å; F53-M73 HydrophobicContact CD2-CE 4.39Å; L67-M73 HydrophobicContact CD1-CB 4.23Å; L67-M73 HydrophobicContact CD1-CG 3.6Å; L67-M73 HydrophobicContact CD2-CG 4.38Å; M73-K84 CarbonylContact O-C 3.51Å; M73-K84 VanDerWaalsContact O-CA 3.3Å; M73-K84 WeakPolarHBondContact O-CA 3.3Å; M73-M85 HydrophobicContact CB-CB 4.45Å; M73-M85 PolarHBondContact N-O 2.89Å; M73-M85 PolarHBondContact O-N 2.9Å; M73-E103 HydrophobicContact CE-CB 4.05Å; M73-P105 HydrophobicContact SD-CB 4.19Å; M73-P105 VanDerWaalsContact SD-CD 3.6Å; M73-P105 HydrophobicContact SD-CG 3.73Å; M73-P105 VanDerWaalsContact SD-N 3.37Å; M73-A111 HydrophobicContact CG-CB 3.74Å; M73-A111 HydrophobicContact SD-CB 3.64Å
74	A	98.8	Very high	98.4	Very high	16 Å²	16	36.1 Å²	36.1	13%	0.132	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	148	166.5	0	0	0	0	0	110	G83 E103 M104 C106 I288	A74-G83 WeakPolarHBondContact CA-O 3.36Å; A74-E103 CarbonylContact O-C 3.58Å; A74-E103 WeakPolarHBondContact O-CA 3.37Å; A74-M104 PolarHBondContact N-O 2.88Å; A74-M104 PolarHBondContact O-N 2.82Å; A74-C106 HydrophobicContact CB-CB 3.67Å; A74-I288 HydrophobicContact CB-CD1 4.2Å
75	H	98.8	Very high	98.4	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.046	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.8	169.4	61.7	89.4	0	0	0	111.2	H81 V82 G83 Q91 A102 E103 E133	H75-H81 AromaticContact CE1-CD2 3.94Å; H75-H81 AromaticContact CE1-NE2 3.66Å; H75-V82 VanDerWaalsContact O-CA 3.27Å; H75-V82 WeakPolarHBondContact O-CA 3Å; H75-G83 PolarHBondContact CD2-O 3Å; H75-G83 VanDerWaalsContact CE1-CA 3.43Å; H75-G83 WeakPolarHBondContact CE1-CA 3.42Å; H75-G83 PolarHBondContact CE1-N 2.96Å; H75-G83 PolarHBondContact N-O 3.13Å; H75-G83 WeakPolarHBondContact NE2-CA 3.24Å; H75-G83 PolarHBondContact NE2-N 2.76Å; H75-G83 PolarHBondContact O-N 3.36Å; H75-Q91 PolarHBondContact CD2-NE2 3.16Å; H75-Q91 VanDerWaalsContact CD2-NE2 3.31Å; H75-Q91 PolarHBondContact CE1-NE2 3.04Å; H75-Q91 PolarHBondContact ND1-NE2 2.87Å; H75-Q91 PolarHBondContact NE2-NE2 2.76Å; H75-Q91 VanDerWaalsContact NE2-NE2 3.18Å; H75-A102 WeakPolarHBondContact CA-O 3.5Å; H75-E103 HydrophobicContact CB-CG 4.5Å; H75-E133 IonicContact CE1-OE1 3.24Å; H75-E133 PolarHBondContact CE1-OE1 2.93Å; H75-E133 IonicContact NE2-OE1 3.85Å; H75-E133 PolarHBondContact NE2-OE1 3.5Å
76	E	98.7	Very high	98.4	Very high	21 Å²	21	39 Å²	39	10%	0.098	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	128.8	179.1	-179	-177.7	173.2	0	0	109.4	H81 V82 H101 A102 W284 S286 K287 I288	E76-H81 WeakPolarHBondContact CA-O 3.4Å; E76-V82 HydrophobicContact CB-CG1 4.03Å; E76-V82 HydrophobicContact CG-CG1 3.78Å; E76-H101 CarbonylContact O-C 3.55Å; E76-H101 WeakPolarHBondContact O-CA 3.21Å; E76-H101 WeakPolarHBondContact O-CB 3.44Å; E76-A102 PolarHBondContact N-O 2.8Å; E76-A102 VanDerWaalsContact N-O 3.15Å; E76-A102 PolarHBondContact O-N 3.12Å; E76-W284 HydrophobicContact CG-CZ2 4.12Å; E76-S286 WeakPolarHBondContact OE2-CB 3.48Å; E76-K287 VanDerWaalsContact CD-N 3.32Å; E76-K287 PolarHBondContact OE1-N 2.87Å; E76-K287 VanDerWaalsContact OE1-N 3.16Å; E76-K287 PolarHBondContact OE2-N 2.95Å; E76-I288 HydrophobicContact CB-CD1 3.8Å; E76-I288 HydrophobicContact CB-CG1 4.03Å; E76-I288 PolarHBondContact OE2-N 3.28Å
77	D	98.6	Very high	98.4	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.027	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	167.1	178	84.1	10.9	0	0	0	113.9	C79 G80 H81 L100 H101 Y131 W284	D77-C79 PolarHBondContact O-N 3Å; D77-C79 VanDerWaalsContact OD1-CA 3.3Å; D77-C79 WeakPolarHBondContact OD1-CA 3.43Å; D77-C79 WeakPolarHBondContact OD1-CB 3.02Å; D77-C79 PolarHBondContact OD1-N 3.48Å; D77-G80 PolarHBondContact O-N 2.83Å; D77-G80 PolarHBondContact OD1-N 2.74Å; D77-H81 PolarHBondContact N-O 3.37Å; D77-H81 PolarHBondContact OD1-N 2.87Å; D77-H81 WeakPolarHBondContact OD2-CB 3.43Å; D77-L100 WeakPolarHBondContact CA-O 3.15Å; D77-H101 HydrophobicContact CB-CB 3.89Å; D77-Y131 PolarHBondContact OD2-OH 2.85Å; D77-W284 WeakPolarHBondContact O-CZ2 3.31Å; D77-W284 PolarHBondContact O-NE1 3.34Å
78	F	97.6	Very high	98.4	Very high	24 Å²	24	40.3 Å²	40.3	11%	0.105	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-8.5	178.7	75	-17.6	0	0	0	116.7	I99 L100 G277 F278 W284	F78-I99 HydrophobicContact CE1-CD1 4.35Å; F78-L100 HydrophobicContact CB-CB 4.16Å; F78-L100 HydrophobicContact CD2-CB 3.76Å; F78-L100 HydrophobicContact CE2-CB 4.34Å; F78-L100 HydrophobicContact CG-CB 3.96Å; F78-L100 PolarHBondContact N-O 2.8Å; F78-G277 WeakPolarHBondContact CZ-O 3.39Å; F78-F278 HydrophobicContact CE2-CD1 4.45Å; F78-W284 VanDerWaalsContact CA-CE2 3.45Å; F78-W284 HydrophobicContact CB-CB 4.15Å; F78-W284 HydrophobicContact CB-CD2 3.66Å; F78-W284 HydrophobicContact CB-CE3 4.08Å; F78-W284 HydrophobicContact CB-CG 3.71Å
79	C	95.4	Very high	98.4	Very high	104 Å²	104	40.1 Å²	40.1	70%	0.703	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-4.3	173.8	-72.5	0	0	0	0	111.5	D77	D77-C79 PolarHBondContact O-N 3Å; D77-C79 VanDerWaalsContact OD1-CA 3.3Å; D77-C79 WeakPolarHBondContact OD1-CA 3.43Å; D77-C79 WeakPolarHBondContact OD1-CB 3.02Å; D77-C79 PolarHBondContact OD1-N 3.48Å
80	G	96.6	Very high	98.4	Very high	55 Å²	55	32.9 Å²	32.9	57%	0.567	21%	0.208	S	C	*	.	S	Bend	trans	88.4	8.9	-179.4	0	0	0	0	0	114.2	D77	D77-G80 PolarHBondContact O-N 2.83Å; D77-G80 PolarHBondContact OD1-N 2.74Å
81	H	98.4	Very high	98.4	Very high	64 Å²	64	31.6 Å²	31.6	30%	0.296	20%	0.195	S	C	.	.			trans	-71.5	131.9	170.5	-176.1	57.5	0	0	0	109.3	H75 E76 D77 Y131 E133	H75-H81 AromaticContact CE1-CD2 3.94Å; H75-H81 AromaticContact CE1-NE2 3.66Å; E76-H81 WeakPolarHBondContact CA-O 3.4Å; D77-H81 PolarHBondContact N-O 3.37Å; D77-H81 PolarHBondContact OD1-N 2.87Å; D77-H81 WeakPolarHBondContact OD2-CB 3.43Å; H81-Y131 AromaticContact CD2-CD2 3.72Å; H81-Y131 AromaticContact CD2-CE2 3.75Å; H81-Y131 AromaticContact CD2-CG 3.9Å; H81-Y131 AromaticContact CD2-CZ 3.95Å; H81-Y131 AromaticContact NE2-CG 3.94Å; H81-E133 IonicContact CD2-OE1 3.22Å; H81-E133 IonicContact CE1-OE1 2.87Å; H81-E133 IonicContact CE1-OE2 3.8Å; H81-E133 IonicContact NE2-OE1 2.91Å; H81-E133 PolarHBondContact NE2-OE1 2.86Å; H81-E133 IonicContact NE2-OE2 3.23Å; H81-E133 PolarHBondContact NE2-OE2 3.26Å
82	V	98.6	Very high	98.4	Very high	90 Å²	90	31.4 Å²	31.4	55%	0.545	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	152.3	-177.7	-63.3	0	0	0	0	110.4	H75 E76	H75-V82 VanDerWaalsContact O-CA 3.27Å; H75-V82 WeakPolarHBondContact O-CA 3Å; E76-V82 HydrophobicContact CB-CG1 4.03Å; E76-V82 HydrophobicContact CG-CG1 3.78Å
83	G	98.3	Very high	98.4	Very high	24 Å²	24	30.7 Å²	30.7	25%	0.247	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	171.7	172.8	0	0	0	0	0	112.9	A74 H75	A74-G83 WeakPolarHBondContact CA-O 3.36Å; H75-G83 PolarHBondContact CD2-O 3Å; H75-G83 VanDerWaalsContact CE1-CA 3.43Å; H75-G83 WeakPolarHBondContact CE1-CA 3.42Å; H75-G83 PolarHBondContact CE1-N 2.96Å; H75-G83 PolarHBondContact N-O 3.13Å; H75-G83 WeakPolarHBondContact NE2-CA 3.24Å; H75-G83 PolarHBondContact NE2-N 2.76Å; H75-G83 PolarHBondContact O-N 3.36Å
84	K	98.8	Very high	98.4	Very high	112 Å²	112	30.2 Å²	30.2	49%	0.487	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.5	176.1	-174.5	-179.8	70.2	167.4	0	109	M73 K135	M73-K84 CarbonylContact O-C 3.51Å; M73-K84 VanDerWaalsContact O-CA 3.3Å; M73-K84 WeakPolarHBondContact O-CA 3.3Å; K84-K135 PolarHBondContact O-NZ 3.18Å
85	M	98.9	Very high	98.4	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.049	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.7	174.3	-62.1	178.3	68.1	0	0	109.8	S65 L67 S72 M73 D89 Q91	S65-M85 WeakPolarHBondContact O-CE 3.19Å; L67-M85 HydrophobicContact CD2-CB 4.14Å; L67-M85 WeakPolarHBondContact CD2-O 3.38Å; S72-M85 VanDerWaalsContact CA-O 3.23Å; S72-M85 WeakPolarHBondContact CA-O 3.43Å; S72-M85 VanDerWaalsContact CB-O 3.26Å; S72-M85 WeakPolarHBondContact CB-O 3.46Å; M73-M85 HydrophobicContact CB-CB 4.45Å; M73-M85 PolarHBondContact N-O 2.89Å; M73-M85 PolarHBondContact O-N 2.9Å; M85-D89 HydrophobicContact CB-CB 4.1Å; M85-D89 HydrophobicContact CE-CB 4.38Å; M85-D89 WeakPolarHBondContact CE-O 3.48Å; M85-D89 HydrophobicContact CG-CB 4.44Å; M85-Q91 HydrophobicContact CE-CB 4.12Å; M85-Q91 HydrophobicContact SD-CB 3.85Å
86	N	98.9	Very high	98.4	Very high	54 Å²	54	29 Å²	29	29%	0.289	18%	0.177	S	C	.	.			trans	-110.4	172.6	171.1	-54.6	-57.9	0	0	0	109.8	L67 S72 G88 D89	L67-N86 WeakPolarHBondContact CB-O 3.34Å; S72-N86 PolarHBondContact OG-OD1 2.95Å; N86-G88 PolarHBondContact O-N 3.48Å; N86-D89 PolarHBondContact N-OD2 3.49Å; N86-D89 VanDerWaalsContact O-CB 3.22Å; N86-D89 WeakPolarHBondContact O-CB 3.3Å; N86-D89 PolarHBondContact O-N 3.41Å
87	P	98.9	Very high	98.4	Very high	30 Å²	30	31.3 Å²	31.3	20%	0.195	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	128.5	176.2	-32.9	39.2	0	0	0	113.6	L68 G70 D89	L68-P87 WeakPolarHBondContact O-CA 3.48Å; L68-P87 WeakPolarHBondContact O-CB 3.43Å; G70-P87 VanDerWaalsContact O-CG 3.31Å; G70-P87 WeakPolarHBondContact O-CG 3.39Å; P87-D89 VanDerWaalsContact C-N 3.32Å
88	G	98.7	Very high	98.4	Very high	6 Å²	6	31.1 Å²	31.1	6%	0.062	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-2	-177.4	0	0	0	0	0	115.5	L67 N86 N136 I139	L67-G88 WeakPolarHBondContact O-CA 3.33Å; L67-G88 PolarHBondContact O-N 3.48Å; N86-G88 PolarHBondContact O-N 3.48Å; G88-N136 WeakPolarHBondContact O-CA 3.27Å; G88-I139 WeakPolarHBondContact O-CD1 3.36Å
89	D	98.9	Very high	98.5	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.032	18%	0.18	C	C	.	.			trans	-75.2	152.6	174	-69.1	-5.6	0	0	0	111.3	Y66 L67 M85 N86 P87 L134 K135 N136	Y66-D89 WeakPolarHBondContact CD2-O 3.18Å; L67-D89 PolarHBondContact N-O 2.95Å; L67-D89 VanDerWaalsContact N-O 3.12Å; M85-D89 HydrophobicContact CB-CB 4.1Å; M85-D89 HydrophobicContact CE-CB 4.38Å; M85-D89 WeakPolarHBondContact CE-O 3.48Å; M85-D89 HydrophobicContact CG-CB 4.44Å; N86-D89 PolarHBondContact N-OD2 3.49Å; N86-D89 VanDerWaalsContact O-CB 3.22Å; N86-D89 WeakPolarHBondContact O-CB 3.3Å; N86-D89 PolarHBondContact O-N 3.41Å; P87-D89 VanDerWaalsContact C-N 3.32Å; D89-L134 WeakPolarHBondContact CA-O 3.38Å; D89-K135 WeakPolarHBondContact OD1-CA 3.43Å; D89-K135 VanDerWaalsContact OD2-CD 3.29Å; D89-K135 WeakPolarHBondContact OD2-CD 3.26Å; D89-K135 IonicContact OD2-NZ 3.38Å; D89-K135 PolarHBondContact OD2-NZ 3.2Å; D89-N136 PolarHBondContact OD1-N 2.88Å
90	L	98.9	Very high	98.6	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.5	179.3	172.6	69.9	0	0	0	110.8	V64 E133 L134 I139 I152 V163	V64-L90 HydrophobicContact CG1-CD1 3.66Å; L90-E133 WeakPolarHBondContact O-CA 3.42Å; L90-L134 HydrophobicContact CB-CB 4.32Å; L90-L134 HydrophobicContact CD2-CD1 4.22Å; L90-L134 HydrophobicContact CD2-CG 4.38Å; L90-L134 PolarHBondContact N-O 3.31Å; L90-L134 PolarHBondContact O-N 3.13Å; L90-I139 HydrophobicContact CB-CD1 3.59Å; L90-I139 HydrophobicContact CD2-CD1 4.46Å; L90-I152 HydrophobicContact CD1-CG2 3.61Å; L90-I152 HydrophobicContact CD2-CG2 3.78Å; L90-I152 HydrophobicContact CG-CG2 4.3Å; L90-V163 HydrophobicContact CD2-CG2 3.8Å
91	Q	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.8	160	179.4	-178.4	92	0	0	109.1	V64 S65 H75 M85 M93 Y131 E133	V64-Q91 CarbonylContact C-O 3.54Å; V64-Q91 WeakPolarHBondContact CA-O 3.47Å; S65-Q91 PolarHBondContact N-O 2.85Å; S65-Q91 PolarHBondContact O-N 3.15Å; H75-Q91 PolarHBondContact CD2-NE2 3.16Å; H75-Q91 VanDerWaalsContact CD2-NE2 3.31Å; H75-Q91 PolarHBondContact CE1-NE2 3.04Å; H75-Q91 PolarHBondContact ND1-NE2 2.87Å; H75-Q91 PolarHBondContact NE2-NE2 2.76Å; H75-Q91 VanDerWaalsContact NE2-NE2 3.18Å; M85-Q91 HydrophobicContact CE-CB 4.12Å; M85-Q91 HydrophobicContact SD-CB 3.85Å; Q91-M93 HydrophobicContact CG-CB 4.45Å; Q91-Y131 HydrophobicContact CG-CD1 3.95Å; Q91-Y131 HydrophobicContact CG-CE1 4.36Å; Q91-E133 HydrophobicContact CB-CG 4.25Å; Q91-E133 HydrophobicContact CG-CG 4.01Å; Q91-E133 PolarHBondContact NE2-OE1 2.94Å
92	W	98.9	Very high	98.8	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	103.2	169.3	-161.6	-57.9	0	0	0	108.6	E62 V64 V118 Q132 I152 S153 V163 T165 T169	E62-W92 VanDerWaalsContact CD-NE1 3.32Å; E62-W92 PolarHBondContact OE2-NE1 2.87Å; V64-W92 HydrophobicContact CB-CD2 4.4Å; V64-W92 HydrophobicContact CB-CE3 4.36Å; V64-W92 HydrophobicContact CG1-CD2 4.02Å; V64-W92 HydrophobicContact CG1-CE3 3.57Å; V64-W92 HydrophobicContact CG1-CZ3 3.98Å; V64-W92 HydrophobicContact CG2-CD2 3.51Å; V64-W92 HydrophobicContact CG2-CE3 3.82Å; V64-W92 HydrophobicContact CG2-CG 3.94Å; V64-W92 HydrophobicContact CG2-CH2 4.13Å; V64-W92 HydrophobicContact CG2-CZ2 3.86Å; V64-W92 HydrophobicContact CG2-CZ3 4.12Å; W92-V118 HydrophobicContact CZ2-CG2 4.47Å; W92-Q132 HydrophobicContact CB-CB 4.23Å; W92-Q132 PolarHBondContact N-O 2.96Å; W92-Q132 PolarHBondContact O-N 2.89Å; W92-I152 HydrophobicContact CZ3-CG2 4.4Å; W92-S153 WeakPolarHBondContact CZ3-OG 3.22Å; W92-V163 HydrophobicContact CB-CG1 4.45Å; W92-V163 HydrophobicContact CD2-CG1 3.82Å; W92-V163 HydrophobicContact CE3-CG1 3.59Å; W92-V163 HydrophobicContact CG-CG1 4.22Å; W92-V163 HydrophobicContact CZ3-CG1 4.13Å; W92-T165 HydrophobicContact CH2-CG2 3.54Å; W92-T165 HydrophobicContact CZ2-CG2 3.59Å; W92-T165 HydrophobicContact CZ3-CG2 4.21Å; W92-T169 HydrophobicContact CH2-CG2 3.86Å
93	M	98.8	Very high	98.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.3	-175.7	-177.5	-175.9	88.8	0	0	110.2	E62 T63 Q91 A95 I99 Q130 Y131	E62-M93 CarbonylContact C-O 3.53Å; E62-M93 WeakPolarHBondContact CA-O 3.35Å; E62-M93 WeakPolarHBondContact CB-O 3.35Å; T63-M93 HydrophobicContact CG2-CE 4.24Å; T63-M93 PolarHBondContact N-O 2.99Å; T63-M93 PolarHBondContact O-N 2.75Å; T63-M93 WeakPolarHBondContact OG1-CE 3.17Å; Q91-M93 HydrophobicContact CG-CB 4.45Å; M93-A95 HydrophobicContact CE-CB 4.2Å; M93-A95 PolarHBondContact O-N 2.89Å; M93-I99 HydrophobicContact CE-CB 4.13Å; M93-I99 HydrophobicContact CE-CG1 4.26Å; M93-I99 HydrophobicContact CE-CG2 3.87Å; M93-I99 HydrophobicContact SD-CB 4.41Å; M93-I99 HydrophobicContact SD-CG1 4.13Å; M93-I99 HydrophobicContact SD-CG2 3.9Å; M93-Q130 CarbonylContact C-O 3.42Å; M93-Q130 WeakPolarHBondContact CA-O 3.28Å; M93-Y131 HydrophobicContact CB-CD1 3.97Å; M93-Y131 HydrophobicContact CB-CE1 3.79Å; M93-Y131 HydrophobicContact CG-CD1 3.9Å; M93-Y131 HydrophobicContact CG-CE1 3.37Å; M93-Y131 HydrophobicContact CG-CE2 4.43Å; M93-Y131 HydrophobicContact SD-CD1 4.48Å; M93-Y131 HydrophobicContact SD-CE1 3.43Å; M93-Y131 WeakPolarHBondContact SD-CE1 3.47Å; M93-Y131 VanDerWaalsContact SD-CZ 3.53Å; M93-Y131 PolarHBondContact SD-OH 2.79Å
94	T	98.9	Very high	98.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	108.9	165.6	-50.5	0	0	0	0	108.1	E62 L120 V127 P129 Q130 R166	E62-T94 HydrophobicContact CG-CG2 4.26Å; E62-T94 WeakPolarHBondContact OE1-CB 3.49Å; E62-T94 PolarHBondContact OE1-OG1 2.92Å; T94-L120 HydrophobicContact CG2-CD1 3.92Å; T94-V127 HydrophobicContact CG2-CG2 3.98Å; T94-P129 CarbonylContact O-C 3.36Å; T94-P129 WeakPolarHBondContact O-CA 3.38Å; T94-Q130 PolarHBondContact N-O 2.82Å; T94-Q130 PolarHBondContact O-N 2.89Å; T94-R166 PolarHBondContact OG1-NH1 2.87Å
95	A	98.8	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.			trans	-76.6	-33.6	-179.1	0	0	0	0	0	112.6	H58 F61 M93 R97 G98 I99 P129	H58-A95 HydrophobicContact CB-CB 3.73Å; F61-A95 VanDerWaalsContact O-CB 3.31Å; F61-A95 WeakPolarHBondContact O-CB 3.49Å; F61-A95 PolarHBondContact O-N 2.81Å; M93-A95 HydrophobicContact CE-CB 4.2Å; M93-A95 PolarHBondContact O-N 2.89Å; A95-R97 PolarHBondContact O-N 3.13Å; A95-G98 CarbonylContact O-C 3.57Å; A95-G98 PolarHBondContact O-N 2.9Å; A95-I99 HydrophobicContact CB-CB 4.48Å; A95-I99 HydrophobicContact CB-CG1 4.41Å; A95-P129 WeakPolarHBondContact O-CG 3.06Å
96	G	98.8	Very high	98.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	-128.1	177.4	0	0	0	0	0	112.2	R59 G60 G98 K125 V127	R59-G96 WeakPolarHBondContact CA-O 3.36Å; R59-G96 WeakPolarHBondContact CG-O 3.47Å; G60-G96 PolarHBondContact N-O 2.87Å; G96-G98 PolarHBondContact O-N 3.03Å; G96-K125 CarbonylContact C-O 3.52Å; G96-K125 WeakPolarHBondContact CA-O 3.35Å; G96-V127 CarbonylContact C-O 3.58Å; G96-V127 WeakPolarHBondContact CA-O 3.48Å
97	R	98.6	Very high	98.7	Very high	71 Å²	71	11.7 Å²	11.7	27%	0.268	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-14.4	-179.2	67.3	-173	-76.7	-103.8	8.2	115.1	R59 A95 K125 M126 V127 G277 E279	R59-R97 PolarHBondContact NE-O 2.92Å; R59-R97 PolarHBondContact NH2-O 2.85Å; A95-R97 PolarHBondContact O-N 3.13Å; R97-K125 PolarHBondContact N-O 2.97Å; R97-M126 HydrophobicContact CB-CE 3.87Å; R97-M126 HydrophobicContact CB-SD 4.36Å; R97-V127 WeakPolarHBondContact CG-O 3.43Å; R97-V127 PolarHBondContact N-O 2.87Å; R97-G277 VanDerWaalsContact CZ-N 3.3Å; R97-E279 IonicContact NH2-OE1 2.84Å; R97-E279 PolarHBondContact NH2-OE1 3Å; R97-E279 IonicContact NH2-OE2 3.01Å
98	G	98.6	Very high	98.7	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.01	9%	0.092	C	C	.	.			trans	154.6	127.8	176.3	0	0	0	0	0	114.3	H58 A95 G96 P129 F278	H58-G98 WeakPolarHBondContact O-CA 3.33Å; A95-G98 CarbonylContact O-C 3.57Å; A95-G98 PolarHBondContact O-N 2.9Å; G96-G98 PolarHBondContact O-N 3.03Å; G98-P129 WeakPolarHBondContact O-CG 3.48Å; G98-F278 VanDerWaalsContact CA-CE1 3.49Å
99	I	98.7	Very high	98.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.2	162	-77.6	-74.5	0	0	0	107.8	P57 H58 F78 M93 A95 H101 P129 Y131	P57-I99 CarbonylContact C-O 3.58Å; P57-I99 WeakPolarHBondContact CA-O 3.25Å; H58-I99 PolarHBondContact N-O 3.41Å; H58-I99 PolarHBondContact O-N 3.16Å; H58-I99 VanDerWaalsContact O-N 3.08Å; F78-I99 HydrophobicContact CE1-CD1 4.35Å; M93-I99 HydrophobicContact CE-CB 4.13Å; M93-I99 HydrophobicContact CE-CG1 4.26Å; M93-I99 HydrophobicContact CE-CG2 3.87Å; M93-I99 HydrophobicContact SD-CB 4.41Å; M93-I99 HydrophobicContact SD-CG1 4.13Å; M93-I99 HydrophobicContact SD-CG2 3.9Å; A95-I99 HydrophobicContact CB-CB 4.48Å; A95-I99 HydrophobicContact CB-CG1 4.41Å; I99-H101 HydrophobicContact CG2-CB 3.79Å; I99-P129 HydrophobicContact CD1-CB 3.51Å; I99-P129 HydrophobicContact CD1-CG 3.87Å; I99-P129 HydrophobicContact CG1-CB 3.67Å; I99-P129 HydrophobicContact CG1-CG 3.92Å; I99-Y131 HydrophobicContact CD1-CE2 4.13Å
100	L	98.8	Very high	98.6	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	-122.7	121.1	159.9	174.3	63.3	0	0	0	107.1	D55 H56 P57 D77 F78 F271 A281 W284	D55-L100 HydrophobicContact CB-CD1 4.46Å; H56-L100 VanDerWaalsContact C-CD1 3.41Å; H56-L100 WeakPolarHBondContact O-CD1 3.5Å; P57-L100 HydrophobicContact CB-CD1 4.41Å; D77-L100 WeakPolarHBondContact CA-O 3.15Å; F78-L100 HydrophobicContact CB-CB 4.16Å; F78-L100 HydrophobicContact CD2-CB 3.76Å; F78-L100 HydrophobicContact CE2-CB 4.34Å; F78-L100 HydrophobicContact CG-CB 3.96Å; F78-L100 PolarHBondContact N-O 2.8Å; L100-F271 HydrophobicContact CD1-CE2 4.25Å; L100-F271 HydrophobicContact CD2-CE2 4.45Å; L100-A281 HydrophobicContact CD2-CB 3.64Å; L100-W284 HydrophobicContact CD1-CZ3 4.28Å; L100-W284 HydrophobicContact CD2-CE3 3.49Å; L100-W284 VanDerWaalsContact CD2-CE3 3.49Å; L100-W284 HydrophobicContact CD2-CZ3 3.91Å; L100-W284 HydrophobicContact CG-CE3 3.68Å; L100-W284 HydrophobicContact CG-CZ3 3.55Å
101	H	98.8	Very high	98.6	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	168.1	-175	75	156.7	0	0	0	112.9	D55 H56 H58 E76 D77 I99 E103	D55-H101 CarbonylContact C-O 3.6Å; D55-H101 WeakPolarHBondContact CA-O 3.43Å; H56-H101 AromaticContact CE1-CD2 3.69Å; H56-H101 AromaticContact CE1-NE2 3.52Å; H56-H101 PolarHBondContact N-O 2.96Å; H56-H101 PolarHBondContact ND1-O 3.01Å; H56-H101 AromaticContact NE2-CD2 3.7Å; H56-H101 AromaticContact NE2-NE2 3.25Å; H56-H101 PolarHBondContact NE2-NE2 3.18Å; H56-H101 PolarHBondContact O-N 3.36Å; H56-H101 VanDerWaalsContact O-N 3.09Å; H58-H101 AromaticContact CD2-CD2 3.91Å; H58-H101 AromaticContact CD2-NE2 3.31Å; H58-H101 PolarHBondContact CD2-NE2 3.43Å; H58-H101 VanDerWaalsContact CD2-NE2 3.31Å; H58-H101 AromaticContact NE2-NE2 3.31Å; H58-H101 PolarHBondContact NE2-NE2 2.9Å; E76-H101 CarbonylContact O-C 3.55Å; E76-H101 WeakPolarHBondContact O-CA 3.21Å; E76-H101 WeakPolarHBondContact O-CB 3.44Å; D77-H101 HydrophobicContact CB-CB 3.89Å; I99-H101 HydrophobicContact CG2-CB 3.79Å; H101-E103 IonicContact CE1-OE2 3.36Å; H101-E103 PolarHBondContact CE1-OE2 2.84Å; H101-E103 IonicContact NE2-OE2 3.41Å
102	A	98.8	Very high	98.6	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	-120.8	147.7	168.6	0	0	0	0	0	110.4	F53 H75 E76 M104 I288	F53-A102 CarbonylContact O-C 3.43Å; F53-A102 WeakPolarHBondContact O-CA 3.39Å; H75-A102 WeakPolarHBondContact CA-O 3.5Å; E76-A102 PolarHBondContact N-O 2.8Å; E76-A102 VanDerWaalsContact N-O 3.15Å; E76-A102 PolarHBondContact O-N 3.12Å; A102-M104 HydrophobicContact CB-CG 4.4Å; A102-I288 HydrophobicContact CB-CD1 4Å; A102-I288 HydrophobicContact CB-CG1 3.82Å
103	E	98.8	Very high	98.6	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	-131.9	105.2	176.9	-59.8	-179.8	93.8	0	0	108.9	F53 H56 S65 M73 A74 H75 H101 Q115	F53-E103 HydrophobicContact CB-CB 4.28Å; F53-E103 WeakPolarHBondContact CB-O 3.42Å; F53-E103 HydrophobicContact CD2-CB 4.38Å; F53-E103 PolarHBondContact N-O 2.91Å; F53-E103 PolarHBondContact O-N 2.92Å; H56-E103 IonicContact CE1-OE2 3.48Å; H56-E103 IonicContact NE2-OE2 3.8Å; S65-E103 PolarHBondContact OG-OE1 2.87Å; M73-E103 HydrophobicContact CE-CB 4.05Å; A74-E103 CarbonylContact O-C 3.58Å; A74-E103 WeakPolarHBondContact O-CA 3.37Å; H75-E103 HydrophobicContact CB-CG 4.5Å; H101-E103 IonicContact CE1-OE2 3.36Å; H101-E103 PolarHBondContact CE1-OE2 2.84Å; H101-E103 IonicContact NE2-OE2 3.41Å; E103-Q115 PolarHBondContact OE2-NE2 3.4Å; E103-Q115 VanDerWaalsContact OE2-NE2 3.16Å
104	M	98.8	Very high	98.6	Very high	17 Å²	17	27.6 Å²	27.6	8%	0.084	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.7	-167.3	-58.2	-64.5	-67.9	0	0	111.7	F53 P54 A74 A102 C106 I288	F53-M104 PolarHBondContact N-SD 2.89Å; F53-M104 VanDerWaalsContact N-SD 3.41Å; P54-M104 HydrophobicContact CB-SD 4.45Å; A74-M104 PolarHBondContact N-O 2.88Å; A74-M104 PolarHBondContact O-N 2.82Å; A102-M104 HydrophobicContact CB-CG 4.4Å; M104-C106 PolarHBondContact O-N 3.44Å; M104-I288 HydrophobicContact CB-CB 4.35Å; M104-I288 HydrophobicContact CB-CD1 4.19Å; M104-I288 HydrophobicContact CB-CG1 4.39Å; M104-I288 HydrophobicContact CG-CB 4.12Å; M104-I288 HydrophobicContact CG-CD1 3.97Å; M104-I288 HydrophobicContact CG-CG1 3.85Å; M104-I288 WeakPolarHBondContact CG-O 3.49Å
105	P	98.7	Very high	98.6	Very high	12 Å²	12	28.4 Å²	28.4	8%	0.078	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	128.3	165.1	-26.3	32	0	0	0	111.4	R49 G51 M73	R49-P105 HydrophobicContact CG-CB 4.49Å; R49-P105 WeakPolarHBondContact CG-O 3.34Å; G51-P105 VanDerWaalsContact O-CD 3.22Å; G51-P105 WeakPolarHBondContact O-CD 3.3Å; M73-P105 HydrophobicContact SD-CB 4.19Å; M73-P105 VanDerWaalsContact SD-CD 3.6Å; M73-P105 HydrophobicContact SD-CG 3.73Å; M73-P105 VanDerWaalsContact SD-N 3.37Å
106	C	98.4	Very high	98.6	Very high	50 Å²	50	28.4 Å²	28.4	34%	0.338	15%	0.145	S	C	.	.			trans	-127.2	13.1	-171.7	75.6	0	0	0	0	114.1	S72 A74 M104	S72-C106 VanDerWaalsContact CB-SG 3.55Å; S72-C106 PolarHBondContact O-N 3.42Å; A74-C106 HydrophobicContact CB-CB 3.67Å; M104-C106 PolarHBondContact O-N 3.44Å
107	S	98.3	Very high	98.6	Very high	28 Å²	28	29.6 Å²	29.6	20%	0.196	15%	0.149	C	C	.	.	S	Bend	trans	-122.1	171.8	173	58.3	0	0	0	0	111.5	R49 G71 S72 E109	R49-S107 WeakPolarHBondContact CD-O 3.35Å; G71-S107 WeakPolarHBondContact CA-OG 3.23Å; S72-S107 PolarHBondContact N-OG 3.08Å; S107-E109 PolarHBondContact OG-O 3.06Å
108	E	97.6	Very high	98.6	Very high	160 Å²	160	26.2 Å²	26.2	75%	0.748	14%	0.137	S	C	*	.	S	Bend	trans	-72.1	-34.4	175.5	-60.8	-54.5	119.9	0	0	112.3	R49	R49-E108 IonicContact NH1-OE1 2.68Å; R49-E108 PolarHBondContact NH1-OE1 2.94Å
109	E	98.2	Very high	98.6	Very high	127 Å²	127	26.2 Å²	26.2	59%	0.593	14%	0.136	S	C	*	.	S	Bend	trans	-77.1	143	172	-65.5	-169	-179.6	0	0	110.9	G71 S107 A111	G71-E109 WeakPolarHBondContact CA-O 3.26Å; S107-E109 PolarHBondContact OG-O 3.06Å; E109-A111 PolarHBondContact O-N 2.77Å
110	P	98.3	Very high	98.7	Very high	64 Å²	64	26.1 Å²	26.1	42%	0.416	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-60.4	132.7	171.4	-23.1	34	0	0	0	111.6	G47 G71	G47-P110 CarbonylContact O-C 3.57Å; G47-P110 VanDerWaalsContact O-CA 3.28Å; G47-P110 WeakPolarHBondContact O-CA 3.34Å; G71-P110 PolarHBondContact N-O 2.81Å
111	A	98.6	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	146	169.3	0	0	0	0	0	110.2	F45 K46 G47 M73 E109	F45-A111 HydrophobicContact CE2-CB 3.97Å; K46-A111 VanDerWaalsContact CA-O 3.28Å; K46-A111 WeakPolarHBondContact CA-O 3.45Å; G47-A111 PolarHBondContact N-O 2.82Å; G47-A111 PolarHBondContact O-N 3.01Å; M73-A111 HydrophobicContact CG-CB 3.74Å; M73-A111 HydrophobicContact SD-CB 3.64Å; E109-A111 PolarHBondContact O-N 2.77Å
112	H	98.8	Very high	98.7	Very high	29 Å²	29	31.8 Å²	31.8	13%	0.134	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	124.2	171.6	-177.8	-167	0	0	0	107.3	E44 F45 K46 L68	E44-H112 IonicContact OE1-CD2 2.8Å; E44-H112 IonicContact OE1-CE1 3.02Å; E44-H112 PolarHBondContact OE1-CE1 2.86Å; E44-H112 IonicContact OE1-NE2 3.18Å; E44-H112 PolarHBondContact OE1-NE2 2.86Å; F45-H112 WeakPolarHBondContact O-CA 3.3Å; F45-H112 PolarHBondContact O-CD2 2.93Å; K46-H112 HydrophobicContact CG-CB 4.39Å; L68-H112 WeakPolarHBondContact CA-O 3.27Å; L68-H112 HydrophobicContact CB-CB 4.41Å; L68-H112 WeakPolarHBondContact CB-O 3.22Å; L68-H112 PolarHBondContact N-O 2.84Å
113	G	98.8	Very high	98.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	177.2	-176.8	0	0	0	0	0	113.4	E44 F45 Y66	E44-G113 CarbonylContact C-O 3.56Å; E44-G113 WeakPolarHBondContact CA-O 3.42Å; F45-G113 VanDerWaalsContact CD1-C 3.42Å; F45-G113 VanDerWaalsContact CD1-O 3.29Å; F45-G113 WeakPolarHBondContact CD1-O 3.36Å; F45-G113 PolarHBondContact N-O 2.82Å; F45-G113 PolarHBondContact O-N 3.11Å; Y66-G113 CarbonylContact O-C 3.52Å; Y66-G113 VanDerWaalsContact O-CA 3.3Å; Y66-G113 WeakPolarHBondContact O-CA 3.37Å
114	L	98.9	Very high	98.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	137.5	179.8	-56.5	174	0	0	0	108.7	F42 D43 E44 S65 Y66 L68 Y195 I197 V239	F42-L114 HydrophobicContact CE1-CD2 4.4Å; F42-L114 HydrophobicContact CE2-CB 4.26Å; F42-L114 HydrophobicContact CZ-CB 4.14Å; F42-L114 HydrophobicContact CZ-CD1 4.15Å; F42-L114 HydrophobicContact CZ-CD2 3.98Å; F42-L114 HydrophobicContact CZ-CG 4.31Å; D43-L114 CarbonylContact O-C 3.49Å; D43-L114 WeakPolarHBondContact O-CA 3.46Å; E44-L114 HydrophobicContact CB-CD2 3.77Å; E44-L114 HydrophobicContact CG-CD2 3.98Å; S65-L114 WeakPolarHBondContact CA-O 3.38Å; Y66-L114 HydrophobicContact CD1-CD1 4.4Å; Y66-L114 PolarHBondContact N-O 3.12Å; Y66-L114 PolarHBondContact O-N 3.02Å; L68-L114 HydrophobicContact CD1-CD1 4.45Å; L68-L114 HydrophobicContact CD1-CD2 4.3Å; L68-L114 HydrophobicContact CD1-CG 4.12Å; L68-L114 HydrophobicContact CD2-CD1 4.3Å; L68-L114 HydrophobicContact CG-CG 4.39Å; L114-Y195 HydrophobicContact CD2-CD1 4.41Å; L114-Y195 HydrophobicContact CD2-CE1 4.25Å; L114-I197 HydrophobicContact CD1-CD1 4.13Å; L114-V239 HydrophobicContact CD1-CG1 3.7Å; L114-V239 HydrophobicContact CD1-CG2 4.2Å
115	Q	98.9	Very high	98.7	Very high	16 Å²	16	37.1 Å²	37.1	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.4	173.9	-164.5	167.1	-4.5	0	0	110	F42 D43 V64 E103	F42-Q115 WeakPolarHBondContact CA-O 3.41Å; D43-Q115 PolarHBondContact N-O 2.85Å; D43-Q115 PolarHBondContact O-N 2.93Å; V64-Q115 WeakPolarHBondContact O-CA 3.41Å; E103-Q115 PolarHBondContact OE2-NE2 3.4Å; E103-Q115 VanDerWaalsContact OE2-NE2 3.16Å
116	L	98.9	Very high	98.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	134.5	177.3	176.7	70.3	0	0	0	109.5	F39 F42 T63 V64 V118 Y171 F193 I241	F39-L116 HydrophobicContact CB-CD1 4.25Å; F39-L116 HydrophobicContact CD1-CD1 3.77Å; F39-L116 HydrophobicContact CD1-CD2 4.08Å; F39-L116 HydrophobicContact CD1-CG 4.27Å; F39-L116 HydrophobicContact CE1-CD2 4.09Å; F39-L116 HydrophobicContact CG-CD1 4.22Å; F42-L116 HydrophobicContact CB-CD1 4.25Å; F42-L116 HydrophobicContact CD2-CB 3.87Å; F42-L116 HydrophobicContact CD2-CD1 3.7Å; F42-L116 HydrophobicContact CD2-CG 4.38Å; F42-L116 HydrophobicContact CE2-CB 4.28Å; F42-L116 HydrophobicContact CG-CD1 4.41Å; T63-L116 CarbonylContact C-O 3.57Å; T63-L116 WeakPolarHBondContact CA-O 3.22Å; V64-L116 HydrophobicContact CB-CB 4.25Å; V64-L116 PolarHBondContact N-O 2.89Å; V64-L116 PolarHBondContact O-N 2.65Å; L116-V118 HydrophobicContact CD2-CG2 3.63Å; L116-V118 HydrophobicContact CG-CG2 3.85Å; L116-Y171 HydrophobicContact CB-CE2 4.36Å; L116-Y171 HydrophobicContact CD2-CD2 4.12Å; L116-Y171 HydrophobicContact CD2-CE2 4.16Å; L116-F193 HydrophobicContact CD1-CZ 4.26Å; L116-I241 HydrophobicContact CD2-CD1 4.3Å; L116-I241 HydrophobicContact CD2-CG2 3.96Å
117	W	98.9	Very high	98.7	Very high	25 Å²	25	40.6 Å²	40.6	10%	0.095	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.7	167.5	-68	9.3	0	0	0	110.1	L40 L41 H58 F61 E62 T63	L40-W117 HydrophobicContact CB-CB 3.87Å; L40-W117 HydrophobicContact CB-CE3 4.44Å; L40-W117 HydrophobicContact CD1-CB 4.45Å; L40-W117 PolarHBondContact N-O 2.92Å; L41-W117 HydrophobicContact CB-CB 3.98Å; L41-W117 HydrophobicContact CB-CD2 3.86Å; L41-W117 HydrophobicContact CB-CE3 4.03Å; L41-W117 HydrophobicContact CB-CG 3.86Å; L41-W117 HydrophobicContact CD1-CD2 4.29Å; L41-W117 HydrophobicContact CD1-CE3 4.36Å; L41-W117 HydrophobicContact CD1-CH2 4.41Å; L41-W117 HydrophobicContact CD1-CZ2 4.3Å; L41-W117 HydrophobicContact CD1-CZ3 4.44Å; L41-W117 HydrophobicContact CD2-CD2 4.42Å; L41-W117 HydrophobicContact CD2-CG 4.31Å; L41-W117 HydrophobicContact CG-CD2 4.44Å; L41-W117 PolarHBondContact O-N 2.72Å; H58-W117 AromaticContact CE1-CZ2 3.52Å; H58-W117 AromaticContact ND1-CZ2 3.91Å; F61-W117 HydrophobicContact CD2-CB 4.08Å; F61-W117 HydrophobicContact CD2-CD2 4.07Å; F61-W117 HydrophobicContact CD2-CE3 4.17Å; F61-W117 HydrophobicContact CD2-CG 4.05Å; F61-W117 HydrophobicContact CE1-CE3 4.28Å; F61-W117 HydrophobicContact CE1-CZ3 4.24Å; F61-W117 HydrophobicContact CE2-CB 4.2Å; 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 3.82Å; F61-W117 HydrophobicContact CZ-CD2 3.82Å; F61-W117 AromaticContact CZ-CE3 3.49Å; F61-W117 HydrophobicContact CZ-CE3 3.49Å; F61-W117 VanDerWaalsContact CZ-CE3 3.49Å; F61-W117 AromaticContact CZ-CH2 3.88Å; F61-W117 HydrophobicContact CZ-CH2 3.88Å; F61-W117 HydrophobicContact CZ-CZ2 4.19Å; F61-W117 AromaticContact CZ-CZ3 3.51Å; F61-W117 HydrophobicContact CZ-CZ3 3.51Å; E62-W117 CarbonylContact O-C 2.97Å; E62-W117 VanDerWaalsContact O-CA 3.31Å; E62-W117 WeakPolarHBondContact O-CA 3.38Å; T63-W117 HydrophobicContact CG2-CG 4.43Å
118	V	98.9	Very high	98.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	119.3	178.9	-172.6	0	0	0	0	108.5	F39 F61 E62 V64 W92 L116 T167	F39-V118 HydrophobicContact CD1-CG2 4.27Å; F39-V118 HydrophobicContact CE1-CG2 4.33Å; F61-V118 WeakPolarHBondContact CB-O 2.99Å; E62-V118 HydrophobicContact CB-CB 4.42Å; E62-V118 PolarHBondContact N-O 2.88Å; E62-V118 PolarHBondContact O-N 3.46Å; V64-V118 HydrophobicContact CG2-CG2 4.09Å; W92-V118 HydrophobicContact CZ2-CG2 4.47Å; L116-V118 HydrophobicContact CD2-CG2 3.63Å; 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 Å²	41	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	149.9	-179.4	-160.6	13.9	0	0	0	111.1	P38 L40 K125 T167 L246	P38-N119 VanDerWaalsContact O-CB 3.24Å; P38-N119 WeakPolarHBondContact O-CB 3.48Å; P38-N119 PolarHBondContact O-N 2.88Å; L40-N119 HydrophobicContact CD1-CB 3.75Å; L40-N119 HydrophobicContact CD2-CB 3.97Å; L40-N119 HydrophobicContact CG-CB 3.83Å; N119-K125 PolarHBondContact OD1-NZ 2.89Å; N119-T167 WeakPolarHBondContact O-CB 3.48Å; N119-T167 PolarHBondContact O-OG1 3.24Å; N119-L246 HydrophobicContact CB-CD1 3.73Å
120	L	98.9	Very high	98.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-102.6	146.1	170.2	-70	169.1	0	0	0	110.4	E62 T94 E124 K125 R166 L246	E62-L120 HydrophobicContact CG-CD1 4.17Å; E62-L120 HydrophobicContact CG-CD2 3.75Å; E62-L120 HydrophobicContact CG-CG 3.9Å; T94-L120 HydrophobicContact CG2-CD1 3.92Å; 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 3.44Å; L120-K125 PolarHBondContact O-NZ 3.36Å; L120-R166 HydrophobicContact CD2-CB 3.65Å; L120-R166 HydrophobicContact CD2-CG 4.38Å; L120-L246 VanDerWaalsContact C-CD1 3.45Å
121	R	98.8	Very high	98.8	Very high	76 Å²	76	37.7 Å²	37.7	29%	0.287	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-60.3	151.8	169	71.8	-173.3	82	-125	2.7	110.4	S123 E124 K125 R166 L246 E248	R121-S123 WeakPolarHBondContact CD-OG 3.1Å; R121-S123 WeakPolarHBondContact CG-OG 3.39Å; R121-S123 PolarHBondContact O-N 3.19Å; R121-S123 VanDerWaalsContact O-N 3.1Å; R121-E124 WeakPolarHBondContact CD-OE2 3.49Å; R121-E124 HydrophobicContact CG-CB 4.02Å; R121-E124 HydrophobicContact CG-CG 3.8Å; R121-E124 WeakPolarHBondContact CG-OE2 3.37Å; R121-E124 IonicContact CZ-OE2 3.58Å; R121-E124 IonicContact NE-OE2 3.8Å; R121-E124 PolarHBondContact NE-OE2 3.44Å; R121-E124 PolarHBondContact O-N 3.39Å; R121-K125 PolarHBondContact O-N 2.8Å; R121-R166 PolarHBondContact NH2-O 2.93Å; R121-L246 HydrophobicContact CB-CD2 4.11Å; R121-E248 WeakPolarHBondContact CA-OE2 3.15Å
122	S	98.8	Very high	98.8	Very high	54 Å²	54	39.1 Å²	39.1	38%	0.378	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-47.8	-45	-175.8	-178	0	0	0	0	113.2	E124 K125 E248 N259	S122-E124 PolarHBondContact O-N 2.87Å; S122-E124 VanDerWaalsContact O-N 3.12Å; S122-K125 PolarHBondContact O-N 3.1Å; S122-E248 PolarHBondContact N-OE1 3.04Å; S122-E248 PolarHBondContact N-OE2 2.84Å; S122-N259 VanDerWaalsContact CA-OD1 3.26Å; S122-N259 WeakPolarHBondContact CA-OD1 3.19Å; S122-N259 WeakPolarHBondContact CB-OD1 3.38Å; S122-N259 PolarHBondContact OG-OD1 2.96Å
123	S	98.8	Very high	98.8	Very high	101 Å²	101	41.1 Å²	41.1	71%	0.706	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-66.4	-13.9	-179.4	64.1	0	0	0	0	115	R121	R121-S123 WeakPolarHBondContact CD-OG 3.1Å; R121-S123 WeakPolarHBondContact CG-OG 3.39Å; R121-S123 PolarHBondContact O-N 3.19Å; R121-S123 VanDerWaalsContact O-N 3.1Å
124	E	98.9	Very high	98.9	Very high	34 Å²	34	41.8 Å²	41.8	16%	0.159	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-111.4	-5.2	-178.8	-64.5	-177.5	127.3	0	0	113.1	L120 R121 S122 M126 V127	L120-E124 HydrophobicContact CB-CB 4.35Å; L120-E124 HydrophobicContact CD2-CB 4.39Å; R121-E124 WeakPolarHBondContact CD-OE2 3.49Å; R121-E124 HydrophobicContact CG-CB 4.02Å; R121-E124 HydrophobicContact CG-CG 3.8Å; R121-E124 WeakPolarHBondContact CG-OE2 3.37Å; R121-E124 IonicContact CZ-OE2 3.58Å; R121-E124 IonicContact NE-OE2 3.8Å; R121-E124 PolarHBondContact NE-OE2 3.44Å; R121-E124 PolarHBondContact O-N 3.39Å; S122-E124 PolarHBondContact O-N 2.87Å; S122-E124 VanDerWaalsContact O-N 3.12Å; E124-M126 PolarHBondContact O-N 2.57Å; E124-M126 VanDerWaalsContact O-N 3.13Å; E124-V127 HydrophobicContact CB-CG1 4.32Å; E124-V127 WeakPolarHBondContact O-CG1 3.45Å; E124-V127 VanDerWaalsContact O-CG2 3.25Å; E124-V127 WeakPolarHBondContact O-CG2 3.35Å; E124-V127 PolarHBondContact O-N 2.93Å
125	K	98.9	Very high	98.8	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.009	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-21.3	-176.6	-71.1	-168.5	172.3	-73.6	0	114.7	G60 G96 R97 N119 L120 R121 S122 V257 M258 N259	G60-K125 PolarHBondContact O-NZ 3.38Å; G96-K125 CarbonylContact C-O 3.52Å; G96-K125 WeakPolarHBondContact CA-O 3.35Å; R97-K125 PolarHBondContact N-O 2.97Å; N119-K125 PolarHBondContact OD1-NZ 2.89Å; L120-K125 HydrophobicContact CB-CG 4.24Å; L120-K125 WeakPolarHBondContact O-CE 3.44Å; L120-K125 PolarHBondContact O-NZ 3.36Å; R121-K125 PolarHBondContact O-N 2.8Å; S122-K125 PolarHBondContact O-N 3.1Å; K125-V257 PolarHBondContact NZ-O 2.95Å; K125-M258 HydrophobicContact CB-CE 4.08Å; K125-M258 HydrophobicContact CD-CE 4.06Å; K125-M258 HydrophobicContact CD-SD 4.2Å; K125-N259 VanDerWaalsContact CD-OD1 3.31Å; K125-N259 WeakPolarHBondContact CD-OD1 3.2Å; K125-N259 VanDerWaalsContact CE-OD1 3.22Å; K125-N259 WeakPolarHBondContact CE-OD1 3.46Å
126	M	98.8	Very high	98.8	Very high	91 Å²	91	48.1 Å²	48.1	45%	0.448	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	16.6	-176.3	-62.4	-58.5	-68.7	0	0	113.6	R59 R97 E124 M258	R59-M126 HydrophobicContact CG-SD 4.46Å; R97-M126 HydrophobicContact CB-CE 3.87Å; R97-M126 HydrophobicContact CB-SD 4.36Å; E124-M126 PolarHBondContact O-N 2.57Å; E124-M126 VanDerWaalsContact O-N 3.13Å; M126-M258 HydrophobicContact SD-CE 4.12Å
127	V	98.8	Very high	98.8	Very high	44 Å²	44	55 Å²	55	27%	0.267	28%	0.282	S	S	.	.	S	Bend	trans	-64.4	160.8	172.6	-60.6	0	0	0	0	111.3	T94 G96 R97 E124	T94-V127 HydrophobicContact CG2-CG2 3.98Å; G96-V127 CarbonylContact C-O 3.58Å; G96-V127 WeakPolarHBondContact CA-O 3.48Å; R97-V127 WeakPolarHBondContact CG-O 3.43Å; R97-V127 PolarHBondContact N-O 2.87Å; E124-V127 HydrophobicContact CB-CG1 4.32Å; E124-V127 WeakPolarHBondContact O-CG1 3.45Å; E124-V127 VanDerWaalsContact O-CG2 3.25Å; E124-V127 WeakPolarHBondContact O-CG2 3.35Å; E124-V127 PolarHBondContact O-N 2.93Å
128	E	98.8	Very high	98.8	Very high	152 Å²	152	57.6 Å²	57.6	71%	0.71	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-62.4	144.3	169.4	-67.1	-173.4	160.4	0	0	110.9
129	P	98.8	Very high	98.8	Very high	45 Å²	45	57.9 Å²	57.9	29%	0.292	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-59.9	148.2	177.6	-20.7	30.7	0	0	0	112.9	T94 A95 G98 I99	T94-P129 CarbonylContact O-C 3.36Å; T94-P129 WeakPolarHBondContact O-CA 3.38Å; A95-P129 WeakPolarHBondContact O-CG 3.06Å; G98-P129 WeakPolarHBondContact O-CG 3.48Å; I99-P129 HydrophobicContact CD1-CB 3.51Å; I99-P129 HydrophobicContact CD1-CG 3.87Å; I99-P129 HydrophobicContact CG1-CB 3.67Å; I99-P129 HydrophobicContact CG1-CG 3.92Å
130	Q	98.9	Very high	98.8	Very high	75 Å²	75	59.6 Å²	59.6	35%	0.35	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.6	177.6	-172.1	-173	16.3	0	0	110.9	M93 T94	M93-Q130 CarbonylContact C-O 3.42Å; M93-Q130 WeakPolarHBondContact CA-O 3.28Å; T94-Q130 PolarHBondContact N-O 2.82Å; T94-Q130 PolarHBondContact O-N 2.89Å
131	Y	98.8	Very high	98.8	Very high	47 Å²	47	63.5 Å²	63.5	18%	0.184	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139	169.2	-68.3	-89.8	0	0	0	111.3	D77 H81 Q91 M93 I99	D77-Y131 PolarHBondContact OD2-OH 2.85Å; H81-Y131 AromaticContact CD2-CD2 3.72Å; H81-Y131 AromaticContact CD2-CE2 3.75Å; H81-Y131 AromaticContact CD2-CG 3.9Å; H81-Y131 AromaticContact CD2-CZ 3.95Å; H81-Y131 AromaticContact NE2-CG 3.94Å; Q91-Y131 HydrophobicContact CG-CD1 3.95Å; Q91-Y131 HydrophobicContact CG-CE1 4.36Å; M93-Y131 HydrophobicContact CB-CD1 3.97Å; M93-Y131 HydrophobicContact CB-CE1 3.79Å; M93-Y131 HydrophobicContact CG-CD1 3.9Å; M93-Y131 HydrophobicContact CG-CE1 3.37Å; M93-Y131 HydrophobicContact CG-CE2 4.43Å; M93-Y131 HydrophobicContact SD-CD1 4.48Å; M93-Y131 HydrophobicContact SD-CE1 3.43Å; M93-Y131 WeakPolarHBondContact SD-CE1 3.47Å; M93-Y131 VanDerWaalsContact SD-CZ 3.53Å; M93-Y131 PolarHBondContact SD-OH 2.79Å; I99-Y131 HydrophobicContact CD1-CE2 4.13Å
132	Q	98.8	Very high	98.8	Very high	29 Å²	29	61 Å²	61	14%	0.136	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	106.8	160.7	-59.7	171.9	83.3	0	0	107.4	W92 Y164	W92-Q132 HydrophobicContact CB-CB 4.23Å; W92-Q132 PolarHBondContact N-O 2.96Å; W92-Q132 PolarHBondContact O-N 2.89Å; Q132-Y164 PolarHBondContact NE2-O 2.91Å
133	E	98.9	Very high	98.8	Very high	72 Å²	72	62.8 Å²	62.8	34%	0.336	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.5	-176.5	-70.4	171.7	172.1	0	0	109.3	H75 H81 L90 Q91	H75-E133 IonicContact CE1-OE1 3.24Å; H75-E133 PolarHBondContact CE1-OE1 2.93Å; H75-E133 IonicContact NE2-OE1 3.85Å; H75-E133 PolarHBondContact NE2-OE1 3.5Å; H81-E133 IonicContact CD2-OE1 3.22Å; H81-E133 IonicContact CE1-OE1 2.87Å; H81-E133 IonicContact CE1-OE2 3.8Å; H81-E133 IonicContact NE2-OE1 2.91Å; H81-E133 PolarHBondContact NE2-OE1 2.86Å; H81-E133 IonicContact NE2-OE2 3.23Å; H81-E133 PolarHBondContact NE2-OE2 3.26Å; L90-E133 WeakPolarHBondContact O-CA 3.42Å; Q91-E133 HydrophobicContact CB-CG 4.25Å; Q91-E133 HydrophobicContact CG-CG 4.01Å; Q91-E133 PolarHBondContact NE2-OE1 2.94Å
134	L	98.8	Very high	98.7	Very high	13 Å²	13	64 Å²	64	7%	0.068	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.8	178	-58.9	-172.8	0	0	0	109.8	D89 L90 E138 I139 K162 V163	D89-L134 WeakPolarHBondContact CA-O 3.38Å; L90-L134 HydrophobicContact CB-CB 4.32Å; L90-L134 HydrophobicContact CD2-CD1 4.22Å; L90-L134 HydrophobicContact CD2-CG 4.38Å; L90-L134 PolarHBondContact N-O 3.31Å; L90-L134 PolarHBondContact O-N 3.13Å; L134-E138 HydrophobicContact CB-CB 4.27Å; L134-E138 HydrophobicContact CD2-CB 4.43Å; L134-I139 HydrophobicContact CB-CD1 4.39Å; L134-I139 HydrophobicContact CB-CG1 3.85Å; L134-I139 HydrophobicContact CD1-CG1 4.2Å; L134-K162 HydrophobicContact CD1-CG 4.28Å; L134-K162 HydrophobicContact CD2-CD 4.34Å; L134-K162 HydrophobicContact CD2-CG 4.47Å; L134-V163 HydrophobicContact CD1-CG2 3.66Å; L134-V163 HydrophobicContact CG-CG2 4.45Å
135	K	98.8	Very high	98.7	Very high	86 Å²	86	68.6 Å²	68.6	37%	0.374	35%	0.345	S	S	.	.			trans	-73.2	157.2	167.1	-65.2	-50.4	-171.1	-169.9	0	111.3	K84 D89 D137 E138 I139	K84-K135 PolarHBondContact O-NZ 3.18Å; D89-K135 WeakPolarHBondContact OD1-CA 3.43Å; D89-K135 VanDerWaalsContact OD2-CD 3.29Å; D89-K135 WeakPolarHBondContact OD2-CD 3.26Å; D89-K135 IonicContact OD2-NZ 3.38Å; D89-K135 PolarHBondContact OD2-NZ 3.2Å; K135-D137 WeakPolarHBondContact CB-OD1 3.4Å; K135-D137 PolarHBondContact O-N 2.92Å; K135-D137 VanDerWaalsContact O-N 3.14Å; K135-E138 HydrophobicContact CB-CG 4.41Å; K135-E138 PolarHBondContact N-OE2 3.15Å; K135-E138 WeakPolarHBondContact O-CA 3.44Å; K135-E138 WeakPolarHBondContact O-CB 3.43Å; K135-E138 PolarHBondContact O-N 2.92Å; K135-I139 PolarHBondContact O-N 2.86Å
136	N	98.5	Very high	98.7	Very high	64 Å²	64	69.6 Å²	69.6	34%	0.342	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-51.2	-37.2	179.5	-178.2	38.3	0	0	0	113.1	G88 D89 E138 I139 K141	G88-N136 WeakPolarHBondContact O-CA 3.27Å; D89-N136 PolarHBondContact OD1-N 2.88Å; N136-E138 VanDerWaalsContact C-N 3.3Å; N136-E138 PolarHBondContact O-N 2.79Å; N136-I139 PolarHBondContact O-N 2.86Å; N136-K141 PolarHBondContact O-NZ 2.62Å; N136-K141 WeakPolarHBondContact OD1-CE 3.33Å; N136-K141 PolarHBondContact OD1-NZ 3.07Å
137	D	98.3	Very high	98.7	Very high	144 Å²	144	65.4 Å²	65.4	77%	0.77	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-73.5	-17.5	178	60.1	-18.4	0	0	0	114.1	K135	K135-D137 WeakPolarHBondContact CB-OD1 3.4Å; K135-D137 PolarHBondContact O-N 2.92Å; K135-D137 VanDerWaalsContact O-N 3.14Å
138	E	98.6	Very high	98.7	Very high	80 Å²	80	64.7 Å²	64.7	37%	0.374	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-89.2	-17.6	175.7	-59.2	-178.5	82.9	0	0	113.6	L134 K135 N136 P140 K162	L134-E138 HydrophobicContact CB-CB 4.27Å; L134-E138 HydrophobicContact CD2-CB 4.43Å; K135-E138 HydrophobicContact CB-CG 4.41Å; K135-E138 PolarHBondContact N-OE2 3.15Å; K135-E138 WeakPolarHBondContact O-CA 3.44Å; K135-E138 WeakPolarHBondContact O-CB 3.43Å; K135-E138 PolarHBondContact O-N 2.92Å; N136-E138 VanDerWaalsContact C-N 3.3Å; N136-E138 PolarHBondContact O-N 2.79Å; E138-P140 WeakPolarHBondContact O-CD 3.47Å; E138-K162 IonicContact OE1-NZ 2.7Å; E138-K162 PolarHBondContact OE1-NZ 3.15Å
139	I	98.8	Very high	98.7	Very high	5 Å²	5	57.5 Å²	57.5	3%	0.026	30%	0.298	C	S	.	.	S	Bend	trans	-84.6	116.3	177.1	-58.6	179.6	0	0	0	109	Y66 G88 L90 L134 K135 N136 K141 A150	Y66-I139 HydrophobicContact CE2-CD1 4.2Å; G88-I139 WeakPolarHBondContact O-CD1 3.36Å; L90-I139 HydrophobicContact CB-CD1 3.59Å; L90-I139 HydrophobicContact CD2-CD1 4.46Å; L134-I139 HydrophobicContact CB-CD1 4.39Å; L134-I139 HydrophobicContact CB-CG1 3.85Å; L134-I139 HydrophobicContact CD1-CG1 4.2Å; K135-I139 PolarHBondContact O-N 2.86Å; N136-I139 PolarHBondContact O-N 2.86Å; I139-K141 PolarHBondContact O-N 2.77Å; I139-K141 PolarHBondContact O-NZ 3.32Å; I139-A150 HydrophobicContact CG2-CB 4.12Å
140	P	98.7	Very high	98.7	Very high	37 Å²	37	55.6 Å²	55.6	24%	0.24	29%	0.286	C	S	.	.			trans	-62.2	135.3	-177.8	-18.9	30.5	0	0	0	112.2	E138 P142 A150 V151 V159	E138-P140 WeakPolarHBondContact O-CD 3.47Å; P140-P142 VanDerWaalsContact C-CD 3.46Å; P140-A150 CarbonylContact O-C 3.57Å; P140-A150 WeakPolarHBondContact O-CA 3.21Å; P140-V151 PolarHBondContact O-N 3.03Å; P140-V159 HydrophobicContact CB-CG1 3.51Å; P140-V159 HydrophobicContact CG-CG1 3.96Å
141	K	98.8	Very high	98.7	Very high	82 Å²	82	52 Å²	52	36%	0.357	27%	0.269	S	S	.	.			trans	-126.6	60.7	-179.7	-68.2	171.7	-174.3	68.6	0	112.4	N136 I139 V149 A150	N136-K141 PolarHBondContact O-NZ 2.62Å; N136-K141 WeakPolarHBondContact OD1-CE 3.33Å; N136-K141 PolarHBondContact OD1-NZ 3.07Å; I139-K141 PolarHBondContact O-N 2.77Å; I139-K141 PolarHBondContact O-NZ 3.32Å; K141-V149 CarbonylContact C-O 3.51Å; K141-V149 VanDerWaalsContact CA-O 3.29Å; K141-V149 WeakPolarHBondContact CA-O 3.42Å; K141-A150 HydrophobicContact CG-CB 3.83Å
142	P	98.8	Very high	98.7	Very high	25 Å²	25	49.8 Å²	49.8	16%	0.162	26%	0.26	C	S	.	.			trans	-60.1	144.7	177.4	26.9	-36.3	0	0	0	111.6	P140 V149 V151 L157 V159	P140-P142 VanDerWaalsContact C-CD 3.46Å; P142-V149 VanDerWaalsContact CD-O 3.24Å; P142-V149 WeakPolarHBondContact CD-O 3.38Å; P142-V149 HydrophobicContact CG-CG1 3.86Å; P142-V149 PolarHBondContact O-N 3.04Å; P142-V149 VanDerWaalsContact O-N 3.1Å; P142-V151 HydrophobicContact CG-CG2 4.13Å; P142-L157 HydrophobicContact CB-CB 3.94Å; P142-L157 HydrophobicContact CB-CD1 4Å; P142-L157 HydrophobicContact CG-CB 3.97Å; P142-L157 HydrophobicContact CG-CD1 4.19Å; P142-V159 HydrophobicContact CB-CG2 4.07Å; P142-V159 HydrophobicContact CG-CB 4.19Å; P142-V159 HydrophobicContact CG-CG2 4.06Å
143	T	98.8	Very high	98.7	Very high	90 Å²	90	48.4 Å²	48.4	55%	0.552	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.8	177.2	-61.1	0	0	0	0	110	V147 T148	T143-V147 CarbonylContact C-O 3.58Å; T143-V147 WeakPolarHBondContact CA-O 3.32Å; T143-V147 WeakPolarHBondContact CG2-O 3.21Å; T143-T148 WeakPolarHBondContact CG2-OG1 3.41Å; T143-T148 WeakPolarHBondContact OG1-CG2 3.35Å; T143-T148 PolarHBondContact OG1-OG1 3.26Å
144	K	98.5	Very high	98.7	Very high	127 Å²	127	46.5 Å²	46.5	55%	0.552	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.6	136.2	173.8	-175.6	175.9	177	-176.3	0	110.1	G146 V147 L157	K144-G146 VanDerWaalsContact C-N 3.29Å; K144-G146 PolarHBondContact O-N 2.78Å; K144-G146 VanDerWaalsContact O-N 3.15Å; K144-V147 PolarHBondContact N-O 3.3Å; K144-V147 WeakPolarHBondContact O-CA 3.29Å; K144-V147 VanDerWaalsContact O-CB 3.24Å; K144-V147 WeakPolarHBondContact O-CB 3.46Å; K144-V147 PolarHBondContact O-N 3.01Å; K144-L157 HydrophobicContact CB-CD1 4.23Å
145	D	98.2	Very high	98.7	Very high	130 Å²	130	49.8 Å²	49.8	70%	0.695	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	42.7	171.3	-53.4	-32.5	0	0	0	114.5	V147	D145-V147 VanDerWaalsContact C-N 3.27Å; D145-V147 PolarHBondContact O-N 3.02Å
146	G	98.6	Very high	98.7	Very high	23 Å²	23	45.9 Å²	45.9	24%	0.237	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	3.9	-178.8	0	0	0	0	0	115.2	K144 D177 A180	K144-G146 VanDerWaalsContact C-N 3.29Å; K144-G146 PolarHBondContact O-N 2.78Å; K144-G146 VanDerWaalsContact O-N 3.15Å; G146-D177 PolarHBondContact O-N 3.35Å; G146-A180 WeakPolarHBondContact O-CB 3.32Å
147	V	98.9	Very high	98.7	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.018	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.5	175.4	-176.6	0	0	0	0	108.4	T143 K144 D145 F174 L176 A180 H182	T143-V147 CarbonylContact C-O 3.58Å; T143-V147 WeakPolarHBondContact CA-O 3.32Å; T143-V147 WeakPolarHBondContact CG2-O 3.21Å; K144-V147 PolarHBondContact N-O 3.3Å; K144-V147 WeakPolarHBondContact O-CA 3.29Å; K144-V147 VanDerWaalsContact O-CB 3.24Å; K144-V147 WeakPolarHBondContact O-CB 3.46Å; K144-V147 PolarHBondContact O-N 3.01Å; D145-V147 VanDerWaalsContact C-N 3.27Å; D145-V147 PolarHBondContact O-N 3.02Å; V147-F174 HydrophobicContact CG1-CD1 3.88Å; V147-F174 HydrophobicContact CG1-CE1 3.89Å; V147-L176 HydrophobicContact CB-CD2 4.11Å; V147-L176 HydrophobicContact CG1-CD2 3.73Å; V147-L176 HydrophobicContact CG2-CD2 3.92Å; V147-A180 HydrophobicContact CG2-CB 4.22Å; V147-H182 HydrophobicContact CG1-CB 4.13Å; V147-H182 HydrophobicContact CG2-CB 3.9Å
148	T	98.9	Very high	98.7	Very high	30 Å²	30	41.8 Å²	41.8	18%	0.184	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.2	167	-58.4	0	0	0	0	108.9	T143 F174 K175 R235	T143-T148 WeakPolarHBondContact CG2-OG1 3.41Å; T143-T148 WeakPolarHBondContact OG1-CG2 3.35Å; T143-T148 PolarHBondContact OG1-OG1 3.26Å; T148-F174 WeakPolarHBondContact O-CA 3.34Å; T148-K175 PolarHBondContact N-O 2.69Å; T148-K175 PolarHBondContact O-N 3.41Å; T148-R235 PolarHBondContact OG1-NH2 2.84Å
149	V	98.9	Very high	98.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.9	179.5	60.9	0	0	0	0	111.1	K141 P142 V151 A156 L157 L172 D173 F174	K141-V149 CarbonylContact C-O 3.51Å; K141-V149 VanDerWaalsContact CA-O 3.29Å; K141-V149 WeakPolarHBondContact CA-O 3.42Å; P142-V149 VanDerWaalsContact CD-O 3.24Å; P142-V149 WeakPolarHBondContact CD-O 3.38Å; P142-V149 HydrophobicContact CG-CG1 3.86Å; P142-V149 PolarHBondContact O-N 3.04Å; P142-V149 VanDerWaalsContact O-N 3.1Å; V149-V151 HydrophobicContact CG1-CG2 4.47Å; V149-A156 HydrophobicContact CG1-CB 3.77Å; V149-A156 HydrophobicContact CG2-CB 4.12Å; V149-L157 HydrophobicContact CG1-CD1 3.8Å; V149-L157 HydrophobicContact CG1-CG 4.05Å; V149-L172 HydrophobicContact CG2-CB 3.72Å; V149-L172 HydrophobicContact CG2-CD1 4.42Å; V149-L172 HydrophobicContact CG2-CD2 4.02Å; V149-L172 HydrophobicContact CG2-CG 4.26Å; V149-D173 CarbonylContact C-O 3.58Å; V149-D173 VanDerWaalsContact CA-O 3.25Å; V149-D173 WeakPolarHBondContact CA-O 3.47Å; V149-F174 HydrophobicContact CB-CD1 3.86Å; V149-F174 HydrophobicContact CB-CE1 3.72Å; V149-F174 HydrophobicContact CB-CG 4.44Å; V149-F174 HydrophobicContact CB-CZ 4.2Å; V149-F174 HydrophobicContact CG1-CE1 4.41Å; V149-F174 HydrophobicContact CG2-CD1 4Å; V149-F174 HydrophobicContact CG2-CD2 4.16Å; V149-F174 HydrophobicContact CG2-CE1 3.77Å; V149-F174 HydrophobicContact CG2-CE2 3.94Å; 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	47.1 Å²	47.1	4%	0.041	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	120.7	165.8	0	0	0	0	0	109.2	I139 P140 K141 I152 L172 D173	I139-A150 HydrophobicContact CG2-CB 4.12Å; P140-A150 CarbonylContact O-C 3.57Å; P140-A150 WeakPolarHBondContact O-CA 3.21Å; K141-A150 HydrophobicContact CG-CB 3.83Å; A150-I152 PolarHBondContact O-N 2.91Å; A150-L172 WeakPolarHBondContact O-CA 3.28Å; A150-D173 HydrophobicContact CB-CB 4.11Å; A150-D173 PolarHBondContact N-O 2.81Å; A150-D173 PolarHBondContact O-N 2.83Å
151	V	98.9	Very high	98.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	84.4	-177.2	-168.3	0	0	0	0	109	P140 P142 V149 A156 S161 L172	P140-V151 PolarHBondContact O-N 3.03Å; P142-V151 HydrophobicContact CG-CG2 4.13Å; V149-V151 HydrophobicContact CG1-CG2 4.47Å; V151-A156 HydrophobicContact CG2-CB 4.1Å; V151-S161 WeakPolarHBondContact O-CB 3.37Å; V151-L172 HydrophobicContact CB-CD2 4.3Å; V151-L172 HydrophobicContact CG1-CD2 3.91Å; V151-L172 HydrophobicContact CG2-CD2 4.33Å
152	I	98.9	Very high	98.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-52.1	-179.4	-64.6	160.9	0	0	0	109.4	Y66 L90 W92 A150 S161 V163 Y171 D173	Y66-I152 HydrophobicContact CD1-CD1 3.89Å; Y66-I152 HydrophobicContact CD2-CD1 3.99Å; Y66-I152 HydrophobicContact CD2-CG1 4.26Å; Y66-I152 HydrophobicContact CE1-CD1 3.98Å; Y66-I152 HydrophobicContact CE2-CD1 4.09Å; Y66-I152 HydrophobicContact CE2-CG1 4.2Å; Y66-I152 HydrophobicContact CG-CD1 3.88Å; L90-I152 HydrophobicContact CD1-CG2 3.61Å; L90-I152 HydrophobicContact CD2-CG2 3.78Å; L90-I152 HydrophobicContact CG-CG2 4.3Å; W92-I152 HydrophobicContact CZ3-CG2 4.4Å; A150-I152 PolarHBondContact O-N 2.91Å; I152-S161 WeakPolarHBondContact O-CB 3.34Å; I152-S161 PolarHBondContact O-OG 2.88Å; I152-V163 WeakPolarHBondContact O-CG2 3.46Å; I152-Y171 HydrophobicContact CB-CD1 4.39Å; I152-Y171 HydrophobicContact CB-CG 4.07Å; I152-Y171 VanDerWaalsContact CB-O 3.3Å; I152-Y171 WeakPolarHBondContact CB-O 3.4Å; I152-Y171 HydrophobicContact CD1-CD1 3.53Å; I152-Y171 HydrophobicContact CD1-CD2 4.4Å; I152-Y171 HydrophobicContact CD1-CE1 3.54Å; I152-Y171 HydrophobicContact CD1-CE2 4.43Å; I152-Y171 HydrophobicContact CD1-CG 3.98Å; I152-Y171 HydrophobicContact CG2-CD2 3.97Å; I152-Y171 HydrophobicContact CG2-CG 4Å; I152-Y171 PolarHBondContact N-O 2.63Å; I152-D173 HydrophobicContact CD1-CB 4.25Å
153	S	98.9	Very high	98.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.1	169.9	64.2	0	0	0	0	111.3	W92 T169 Y171	W92-S153 WeakPolarHBondContact CZ3-OG 3.22Å; S153-T169 PolarHBondContact OG-O 3.36Å; S153-Y171 PolarHBondContact N-O 3.45Å; S153-Y171 VanDerWaalsContact N-O 3.13Å; S153-Y171 PolarHBondContact O-N 2.83Å; S153-Y171 WeakPolarHBondContact OG-CB 3.28Å; S153-Y171 PolarHBondContact OG-N 3.21Å; S153-Y171 VanDerWaalsContact OG-N 3.16Å
154	G	98.8	Very high	98.7	Very high	32 Å²	32	50.3 Å²	50.3	33%	0.33	27%	0.272	S	S	.	.	S	Bend	trans	82.5	-140.4	-176.3	0	0	0	0	0	113.3	K160 S161	G154-K160 WeakPolarHBondContact O-CA 3.25Å; G154-S161 PolarHBondContact O-N 2.64Å
155	E	98.9	Very high	98.7	Very high	83 Å²	83	45.7 Å²	45.7	39%	0.388	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.6	-172.5	-170.7	179.6	166.3	0	0	112.3	V159 K160 Q184	E155-V159 WeakPolarHBondContact CA-O 3.38Å; E155-V159 WeakPolarHBondContact CG-O 3.46Å; E155-K160 HydrophobicContact CB-CG 3.93Å; E155-K160 HydrophobicContact CG-CG 3.69Å; E155-K160 WeakPolarHBondContact OE2-CE 3.46Å; E155-K160 IonicContact OE2-NZ 3.76Å; E155-Q184 PolarHBondContact O-NE2 2.99Å; E155-Q184 VanDerWaalsContact O-NE2 3.16Å
156	A	98.7	Very high	98.7	Very high	3 Å²	3	41.1 Å²	41.1	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	147.9	166.3	0	0	0	0	0	110.7	V149 V151 G158 V159 L172	V149-A156 HydrophobicContact CG1-CB 3.77Å; V149-A156 HydrophobicContact CG2-CB 4.12Å; V151-A156 HydrophobicContact CG2-CB 4.1Å; A156-G158 PolarHBondContact O-N 3.41Å; A156-G158 VanDerWaalsContact O-N 3.1Å; A156-V159 PolarHBondContact N-O 2.84Å; A156-V159 VanDerWaalsContact N-O 3.14Å; A156-V159 PolarHBondContact O-N 2.99Å; A156-L172 HydrophobicContact CB-CD1 3.86Å; A156-L172 HydrophobicContact CB-CD2 3.76Å; A156-L172 HydrophobicContact CB-CG 4.46Å
157	L	98.3	Very high	98.7	Very high	59 Å²	59	40 Å²	40	31%	0.309	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	34.2	-179.6	-58	-179.3	0	0	0	113.9	P142 K144 V149 V159	P142-L157 HydrophobicContact CB-CB 3.94Å; P142-L157 HydrophobicContact CB-CD1 4Å; P142-L157 HydrophobicContact CG-CB 3.97Å; P142-L157 HydrophobicContact CG-CD1 4.19Å; K144-L157 HydrophobicContact CB-CD1 4.23Å; V149-L157 HydrophobicContact CG1-CD1 3.8Å; V149-L157 HydrophobicContact CG1-CG 4.05Å; L157-V159 VanDerWaalsContact C-N 3.28Å; L157-V159 PolarHBondContact O-N 2.99Å
158	G	98.3	Very high	98.7	Very high	64 Å²	64	41.4 Å²	41.4	66%	0.66	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.8	9.3	180	0	0	0	0	0	115	A156	A156-G158 PolarHBondContact O-N 3.41Å; A156-G158 VanDerWaalsContact O-N 3.1Å
159	V	98.6	Very high	98.7	Very high	51 Å²	51	40 Å²	40	31%	0.309	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	126.7	179.1	-173.9	0	0	0	0	109.9	P140 P142 E155 A156 L157	P140-V159 HydrophobicContact CB-CG1 3.51Å; P140-V159 HydrophobicContact CG-CG1 3.96Å; P142-V159 HydrophobicContact CB-CG2 4.07Å; P142-V159 HydrophobicContact CG-CB 4.19Å; P142-V159 HydrophobicContact CG-CG2 4.06Å; E155-V159 WeakPolarHBondContact CA-O 3.38Å; E155-V159 WeakPolarHBondContact CG-O 3.46Å; A156-V159 PolarHBondContact N-O 2.84Å; A156-V159 VanDerWaalsContact N-O 3.14Å; A156-V159 PolarHBondContact O-N 2.99Å; L157-V159 VanDerWaalsContact C-N 3.28Å; L157-V159 PolarHBondContact O-N 2.99Å
160	K	98.6	Very high	98.7	Very high	146 Å²	146	40.5 Å²	40.5	64%	0.635	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.4	179.3	-69	-178.1	174.1	-179.6	0	111.3	G154 E155	G154-K160 WeakPolarHBondContact O-CA 3.25Å; E155-K160 HydrophobicContact CB-CG 3.93Å; E155-K160 HydrophobicContact CG-CG 3.69Å; E155-K160 WeakPolarHBondContact OE2-CE 3.46Å; E155-K160 IonicContact OE2-NZ 3.76Å
161	S	98.6	Very high	98.7	Very high	20 Å²	20	40.2 Å²	40.2	14%	0.14	22%	0.217	C	C	.	.			trans	-69.7	151.6	167.7	179.3	0	0	0	0	111	V151 I152 G154 V163	V151-S161 WeakPolarHBondContact O-CB 3.37Å; I152-S161 WeakPolarHBondContact O-CB 3.34Å; I152-S161 PolarHBondContact O-OG 2.88Å; G154-S161 PolarHBondContact O-N 2.64Å; S161-V163 VanDerWaalsContact C-N 3.35Å; S161-V163 WeakPolarHBondContact OG-CG2 3.35Å; S161-V163 PolarHBondContact OG-N 2.88Å; S161-V163 VanDerWaalsContact OG-N 3.12Å
162	K	98.4	Very high	98.7	Very high	133 Å²	133	40.2 Å²	40.2	58%	0.578	22%	0.217	S	C	*	.			trans	-85.5	-6.9	171.7	70.3	-176	-175.6	-174.5	0	113.5	L134 E138 Y164	L134-K162 HydrophobicContact CD1-CG 4.28Å; L134-K162 HydrophobicContact CD2-CD 4.34Å; L134-K162 HydrophobicContact CD2-CG 4.47Å; E138-K162 IonicContact OE1-NZ 2.7Å; E138-K162 PolarHBondContact OE1-NZ 3.15Å; K162-Y164 PolarHBondContact O-N 3.4Å
163	V	98.7	Very high	98.7	Very high	13 Å²	13	40.4 Å²	40.4	8%	0.079	22%	0.218	C	C	.	.			trans	-66.3	124.3	179.5	177.4	0	0	0	0	110	L90 W92 L134 I152 S161 T165	L90-V163 HydrophobicContact CD2-CG2 3.8Å; W92-V163 HydrophobicContact CB-CG1 4.45Å; W92-V163 HydrophobicContact CD2-CG1 3.82Å; W92-V163 HydrophobicContact CE3-CG1 3.59Å; W92-V163 HydrophobicContact CG-CG1 4.22Å; W92-V163 HydrophobicContact CZ3-CG1 4.13Å; L134-V163 HydrophobicContact CD1-CG2 3.66Å; L134-V163 HydrophobicContact CG-CG2 4.45Å; I152-V163 WeakPolarHBondContact O-CG2 3.46Å; S161-V163 VanDerWaalsContact C-N 3.35Å; S161-V163 WeakPolarHBondContact OG-CG2 3.35Å; S161-V163 PolarHBondContact OG-N 2.88Å; S161-V163 VanDerWaalsContact OG-N 3.12Å; V163-T165 HydrophobicContact CG1-CG2 4.31Å
164	Y	98.8	Very high	98.7	Very high	134 Å²	134	40.5 Å²	40.5	53%	0.525	22%	0.218	S	C	.	.			trans	-79.4	129.8	171.1	177.6	-110	0	0	0	110.1	Q132 K162 R166	Q132-Y164 PolarHBondContact NE2-O 2.91Å; K162-Y164 PolarHBondContact O-N 3.4Å; Y164-R166 HydrophobicContact CD1-CG 4.24Å; Y164-R166 HydrophobicContact CE1-CG 3.57Å
165	T	98.8	Very high	98.7	Very high	30 Å²	30	41.4 Å²	41.4	18%	0.184	21%	0.213	C	C	.	.			trans	-116.9	110.2	180	56.6	0	0	0	0	109.6	W92 V163 T169	W92-T165 HydrophobicContact CH2-CG2 3.54Å; W92-T165 HydrophobicContact CZ2-CG2 3.59Å; W92-T165 HydrophobicContact CZ3-CG2 4.21Å; V163-T165 HydrophobicContact CG1-CG2 4.31Å; T165-T169 PolarHBondContact OG1-N 2.92Å
166	R	98.7	Very high	98.7	Very high	35 Å²	35	37.5 Å²	37.5	13%	0.132	20%	0.195	C	C	.	.	S	Bend	trans	-64	-45.6	179.6	-77.1	173.1	172.5	72.8	4.8	111.7	E62 T94 L120 R121 Y164 P168	E62-R166 IonicContact OE1-NH1 2.84Å; T94-R166 PolarHBondContact OG1-NH1 2.87Å; L120-R166 HydrophobicContact CD2-CB 3.65Å; L120-R166 HydrophobicContact CD2-CG 4.38Å; R121-R166 PolarHBondContact NH2-O 2.93Å; Y164-R166 HydrophobicContact CD1-CG 4.24Å; Y164-R166 HydrophobicContact CE1-CG 3.57Å; R166-P168 WeakPolarHBondContact O-CD 3.19Å
167	T	98.8	Very high	98.8	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-94.3	110.2	162.7	-61.5	0	0	0	0	107.2	P38 V118 N119 T169 L246	P38-T167 HydrophobicContact CB-CG2 3.57Å; P38-T167 HydrophobicContact CG-CG2 3.86Å; V118-T167 HydrophobicContact CG1-CG2 4.03Å; N119-T167 WeakPolarHBondContact O-CB 3.48Å; N119-T167 PolarHBondContact O-OG1 3.24Å; T167-T169 PolarHBondContact O-N 2.95Å; T167-T169 VanDerWaalsContact O-N 3.1Å; T167-T169 PolarHBondContact O-OG1 2.79Å; T167-L246 HydrophobicContact CG2-CD2 3.83Å; T167-L246 HydrophobicContact CG2-CG 4.38Å
168	P	98.9	Very high	98.8	Very high	31 Å²	31	44.2 Å²	44.2	20%	0.201	23%	0.226	C	C	.	.			trans	-51.5	120.7	-173.7	-30.3	36.6	0	0	0	112	R166 W190 G243 E244	R166-P168 WeakPolarHBondContact O-CD 3.19Å; P168-W190 HydrophobicContact CB-CH2 3.58Å; P168-W190 HydrophobicContact CB-CZ2 3.37Å; P168-G243 CarbonylContact O-C 3.49Å; P168-G243 WeakPolarHBondContact O-CA 3.15Å; P168-E244 HydrophobicContact CB-CB 4.03Å; P168-E244 HydrophobicContact CG-CB 4.21Å; P168-E244 PolarHBondContact O-N 2.87Å
169	T	98.9	Very high	98.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	134.6	-173.1	-60.3	0	0	0	0	110.9	F39 W92 S153 T165 T167 A242	F39-T169 HydrophobicContact CE1-CG2 4.1Å; F39-T169 HydrophobicContact CZ-CG2 4.41Å; W92-T169 HydrophobicContact CH2-CG2 3.86Å; S153-T169 PolarHBondContact OG-O 3.36Å; T165-T169 PolarHBondContact OG1-N 2.92Å; T167-T169 PolarHBondContact O-N 2.95Å; T167-T169 VanDerWaalsContact O-N 3.1Å; T167-T169 PolarHBondContact O-OG1 2.79Å; T169-A242 CarbonylContact C-O 3.55Å; T169-A242 WeakPolarHBondContact CA-O 3.44Å
170	L	98.9	Very high	98.8	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.3	167.6	177	71.9	0	0	0	107.3	L172 Q184 I186 W190 I241 A242	L170-L172 HydrophobicContact CD1-CD1 3.93Å; L170-L172 HydrophobicContact CD1-CD2 3.95Å; L170-L172 HydrophobicContact CD1-CG 3.86Å; L170-L172 HydrophobicContact CD2-CD1 4.12Å; L170-L172 HydrophobicContact CG-CD1 4.09Å; L170-L172 HydrophobicContact CG-CG 4.02Å; L170-Q184 HydrophobicContact CD2-CG 4.47Å; L170-I186 HydrophobicContact CD2-CG1 4.46Å; L170-W190 HydrophobicContact CB-CZ3 4Å; L170-I241 CarbonylContact O-C 3.58Å; L170-I241 VanDerWaalsContact O-CA 3.3Å; L170-I241 WeakPolarHBondContact O-CA 3.4Å; L170-A242 HydrophobicContact CB-CB 4.27Å; L170-A242 HydrophobicContact CD2-CB 4.45Å; L170-A242 PolarHBondContact N-O 2.92Å; L170-A242 PolarHBondContact O-N 3.06Å
171	Y	98.9	Very high	98.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	114.5	176.5	-166.9	-16	0	0	0	108.1	V64 L116 I152 S153 V239 I241	V64-Y171 HydrophobicContact CG1-CD2 4.22Å; V64-Y171 HydrophobicContact CG1-CE2 4.14Å; L116-Y171 HydrophobicContact CB-CE2 4.36Å; L116-Y171 HydrophobicContact CD2-CD2 4.12Å; L116-Y171 HydrophobicContact CD2-CE2 4.16Å; I152-Y171 HydrophobicContact CB-CD1 4.39Å; I152-Y171 HydrophobicContact CB-CG 4.07Å; I152-Y171 VanDerWaalsContact CB-O 3.3Å; I152-Y171 WeakPolarHBondContact CB-O 3.4Å; I152-Y171 HydrophobicContact CD1-CD1 3.53Å; I152-Y171 HydrophobicContact CD1-CD2 4.4Å; I152-Y171 HydrophobicContact CD1-CE1 3.54Å; I152-Y171 HydrophobicContact CD1-CE2 4.43Å; I152-Y171 HydrophobicContact CD1-CG 3.98Å; I152-Y171 HydrophobicContact CG2-CD2 3.97Å; I152-Y171 HydrophobicContact CG2-CG 4Å; I152-Y171 PolarHBondContact N-O 2.63Å; S153-Y171 PolarHBondContact N-O 3.45Å; S153-Y171 VanDerWaalsContact N-O 3.13Å; S153-Y171 PolarHBondContact O-N 2.83Å; S153-Y171 WeakPolarHBondContact OG-CB 3.28Å; S153-Y171 PolarHBondContact OG-N 3.21Å; S153-Y171 VanDerWaalsContact OG-N 3.16Å; Y171-V239 HydrophobicContact CD1-CB 4.42Å; Y171-V239 HydrophobicContact CE1-CB 3.77Å; Y171-V239 HydrophobicContact CE1-CG1 3.72Å; Y171-V239 HydrophobicContact CE1-CG2 4.24Å; Y171-I241 HydrophobicContact CD1-CD1 4.06Å; Y171-I241 HydrophobicContact CD1-CG1 3.56Å; Y171-I241 HydrophobicContact CD2-CD1 4.47Å; Y171-I241 HydrophobicContact CD2-CG1 4.36Å; Y171-I241 HydrophobicContact CE1-CD1 3.76Å; Y171-I241 HydrophobicContact CE1-CG1 3.78Å; Y171-I241 HydrophobicContact CE2-CD1 4.17Å; Y171-I241 HydrophobicContact CG-CD1 4.43Å; Y171-I241 HydrophobicContact CG-CG1 3.9Å
172	L	98.9	Very high	98.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.8	-176.9	-57.7	178	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 4.42Å; V149-L172 HydrophobicContact CG2-CD2 4.02Å; V149-L172 HydrophobicContact CG2-CG 4.26Å; A150-L172 WeakPolarHBondContact O-CA 3.28Å; V151-L172 HydrophobicContact CB-CD2 4.3Å; V151-L172 HydrophobicContact CG1-CD2 3.91Å; V151-L172 HydrophobicContact CG2-CD2 4.33Å; A156-L172 HydrophobicContact CB-CD1 3.86Å; A156-L172 HydrophobicContact CB-CD2 3.76Å; A156-L172 HydrophobicContact CB-CG 4.46Å; L170-L172 HydrophobicContact CD1-CD1 3.93Å; L170-L172 HydrophobicContact CD1-CD2 3.95Å; L170-L172 HydrophobicContact CD1-CG 3.86Å; 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 3.92Å; L172-F174 HydrophobicContact CB-CE2 3.49Å; L172-F174 VanDerWaalsContact CB-CE2 3.49Å; L172-F174 HydrophobicContact CB-CZ 4.31Å; L172-F174 HydrophobicContact CD1-CE2 3.6Å; L172-F174 HydrophobicContact CD1-CZ 3.84Å; L172-F174 HydrophobicContact CG-CE2 4.21Å; L172-Q184 HydrophobicContact CD1-CG 3.84Å; L172-V239 CarbonylContact O-C 3.59Å; L172-V239 WeakPolarHBondContact O-CA 3.31Å; L172-L240 HydrophobicContact CB-CB 4.49Å; L172-L240 HydrophobicContact CD1-CD2 4.42Å; L172-L240 PolarHBondContact N-O 2.95Å; L172-L240 PolarHBondContact O-N 2.92Å
173	D	98.9	Very high	98.8	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	109.5	168.4	160	11.9	0	0	0	108.9	Y66 V149 A150 I152 K175 H237 V239	Y66-D173 HydrophobicContact CE1-CB 3.94Å; Y66-D173 WeakPolarHBondContact CE1-OD2 3.39Å; Y66-D173 PolarHBondContact OH-OD2 3.44Å; V149-D173 CarbonylContact C-O 3.58Å; V149-D173 VanDerWaalsContact CA-O 3.25Å; V149-D173 WeakPolarHBondContact CA-O 3.47Å; A150-D173 HydrophobicContact CB-CB 4.11Å; A150-D173 PolarHBondContact N-O 2.81Å; A150-D173 PolarHBondContact O-N 2.83Å; I152-D173 HydrophobicContact CD1-CB 4.25Å; D173-K175 VanDerWaalsContact CG-NZ 3.25Å; D173-K175 IonicContact OD1-NZ 2.95Å; D173-K175 PolarHBondContact OD1-NZ 3.31Å; D173-K175 IonicContact OD2-NZ 3.44Å; D173-K175 PolarHBondContact OD2-NZ 3.16Å; D173-H237 IonicContact OD1-CD2 3.78Å; D173-H237 PolarHBondContact OD1-CD2 3.25Å; D173-H237 IonicContact OD1-NE2 3.3Å; D173-H237 PolarHBondContact OD1-NE2 3.31Å; D173-H237 IonicContact OD2-NE2 2.73Å; D173-V239 HydrophobicContact CB-CG1 4.04Å
174	F	98.9	Very high	98.8	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.1	-179	-81.1	-83.6	0	0	0	112.1	V147 T148 V149 L172 L176 H182 Q184 H237 F238 L240	V147-F174 HydrophobicContact CG1-CD1 3.88Å; V147-F174 HydrophobicContact CG1-CE1 3.89Å; T148-F174 WeakPolarHBondContact O-CA 3.34Å; V149-F174 HydrophobicContact CB-CD1 3.86Å; V149-F174 HydrophobicContact CB-CE1 3.72Å; V149-F174 HydrophobicContact CB-CG 4.44Å; V149-F174 HydrophobicContact CB-CZ 4.2Å; V149-F174 HydrophobicContact CG1-CE1 4.41Å; V149-F174 HydrophobicContact CG2-CD1 4Å; V149-F174 HydrophobicContact CG2-CD2 4.16Å; V149-F174 HydrophobicContact CG2-CE1 3.77Å; V149-F174 HydrophobicContact CG2-CE2 3.94Å; V149-F174 HydrophobicContact CG2-CG 4.2Å; V149-F174 HydrophobicContact CG2-CZ 3.73Å; L172-F174 HydrophobicContact CB-CD2 3.92Å; L172-F174 HydrophobicContact CB-CE2 3.49Å; L172-F174 VanDerWaalsContact CB-CE2 3.49Å; L172-F174 HydrophobicContact CB-CZ 4.31Å; L172-F174 HydrophobicContact CD1-CE2 3.6Å; L172-F174 HydrophobicContact CD1-CZ 3.84Å; L172-F174 HydrophobicContact CG-CE2 4.21Å; F174-L176 HydrophobicContact CD1-CD2 4.35Å; F174-H182 AromaticContact CE1-CD2 3.4Å; F174-H182 WeakPolarHBondContact CE1-CD2 3.33Å; F174-H182 AromaticContact CE1-NE2 3.81Å; F174-H182 AromaticContact CZ-CD2 3.58Å; F174-H182 AromaticContact CZ-NE2 3.78Å; F174-Q184 HydrophobicContact CZ-CB 4.48Å; F174-H237 WeakPolarHBondContact O-CA 3.16Å; F174-H237 PolarHBondContact O-CD2 2.91Å; F174-F238 HydrophobicContact CB-CD1 4.46Å; F174-F238 HydrophobicContact CB-CD2 3.97Å; F174-F238 HydrophobicContact CB-CE1 4.06Å; F174-F238 HydrophobicContact CB-CE2 3.51Å; F174-F238 HydrophobicContact CB-CG 4.41Å; F174-F238 HydrophobicContact CB-CZ 3.55Å; F174-F238 HydrophobicContact CD2-CD2 4.42Å; F174-F238 AromaticContact CD2-CE2 3.79Å; F174-F238 HydrophobicContact CD2-CE2 3.79Å; F174-F238 HydrophobicContact CD2-CZ 4.43Å; F174-F238 AromaticContact CG-CE2 3.8Å; F174-F238 HydrophobicContact CG-CE2 3.8Å; F174-F238 HydrophobicContact CG-CZ 4Å; F174-F238 PolarHBondContact N-O 2.97Å; F174-F238 PolarHBondContact O-N 3.1Å; F174-F238 VanDerWaalsContact O-N 3.08Å; F174-L240 HydrophobicContact CD2-CB 4.15Å; F174-L240 HydrophobicContact CE2-CB 4.01Å; F174-L240 HydrophobicContact CE2-CD2 4.18Å
175	K	98.9	Very high	98.8	Very high	52 Å²	52	32.7 Å²	32.7	23%	0.226	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	120.2	163.5	-61.2	175.5	179.6	61.3	0	109.5	T148 D173 S236 H237	T148-K175 PolarHBondContact N-O 2.69Å; T148-K175 PolarHBondContact O-N 3.41Å; D173-K175 VanDerWaalsContact CG-NZ 3.25Å; D173-K175 IonicContact OD1-NZ 2.95Å; D173-K175 PolarHBondContact OD1-NZ 3.31Å; D173-K175 IonicContact OD2-NZ 3.44Å; D173-K175 PolarHBondContact OD2-NZ 3.16Å; K175-S236 CarbonylContact C-O 3.59Å; K175-S236 VanDerWaalsContact CA-O 3.24Å; K175-S236 WeakPolarHBondContact CA-O 3.37Å; K175-H237 WeakPolarHBondContact CE-NE2 3.35Å; K175-H237 HydrophobicContact CG-CB 4.34Å; K175-H237 PolarHBondContact NZ-CD2 2.57Å; K175-H237 PolarHBondContact NZ-NE2 3.22Å
176	L	98.9	Very high	98.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.9	-177.5	-54.7	-174.7	0	0	0	111.1	V147 F174 A180 V228 N230 R235 S236 F238	V147-L176 HydrophobicContact CB-CD2 4.11Å; V147-L176 HydrophobicContact CG1-CD2 3.73Å; V147-L176 HydrophobicContact CG2-CD2 3.92Å; F174-L176 HydrophobicContact CD1-CD2 4.35Å; L176-A180 HydrophobicContact CB-CB 4.22Å; L176-V228 HydrophobicContact CD1-CB 4.18Å; L176-V228 HydrophobicContact CD1-CG2 3.93Å; L176-N230 HydrophobicContact CB-CB 3.86Å; L176-N230 HydrophobicContact CD1-CB 4.41Å; L176-N230 PolarHBondContact O-ND2 3.09Å; L176-R235 WeakPolarHBondContact O-CA 3.3Å; L176-R235 VanDerWaalsContact O-CG 3.25Å; L176-R235 WeakPolarHBondContact O-CG 3.41Å; L176-S236 PolarHBondContact N-O 3.24Å; L176-S236 PolarHBondContact O-N 2.87Å; L176-F238 HydrophobicContact CD1-CE1 3.64Å; L176-F238 HydrophobicContact CD1-CZ 3.82Å; L176-F238 HydrophobicContact CG-CE1 3.79Å; L176-F238 HydrophobicContact CG-CZ 4.08Å
177	D	98.9	Very high	98.8	Very high	67 Å²	67	32.5 Å²	32.5	36%	0.358	19%	0.189	S	C	.	.			trans	-71.2	166.4	171.6	-58.7	-21.6	0	0	0	110.8	G146 G179 A180 N230 R235	G146-D177 PolarHBondContact O-N 3.35Å; D177-G179 PolarHBondContact O-N 3.26Å; D177-A180 WeakPolarHBondContact O-CB 3.34Å; D177-A180 PolarHBondContact O-N 3.16Å; D177-N230 WeakPolarHBondContact O-CB 3.38Å; D177-N230 PolarHBondContact O-ND2 2.81Å; D177-R235 IonicContact OD1-CZ 3.7Å; D177-R235 IonicContact OD1-NE 2.99Å; D177-R235 PolarHBondContact OD1-NE 3.49Å; D177-R235 IonicContact OD1-NH2 3.77Å
178	Q	98.7	Very high	98.7	Very high	137 Å²	137	41.7 Å²	41.7	64%	0.64	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	128.3	180	-178.7	-178.7	16.4	0	0	110.9	A180	Q178-A180 PolarHBondContact O-N 2.89Å
179	G	98.6	Very high	98.6	Very high	53 Å²	53	42.1 Å²	42.1	55%	0.546	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	-3.5	-178.7	0	0	0	0	0	114.5	D177 N230	D177-G179 PolarHBondContact O-N 3.26Å; G179-N230 VanDerWaalsContact CA-O 3.26Å; G179-N230 WeakPolarHBondContact CA-O 3.1Å; G179-N230 PolarHBondContact N-O 2.77Å
180	A	98.8	Very high	98.6	Very high	6 Å²	6	44.3 Å²	44.3	5%	0.05	25%	0.247	C	C	.	.			trans	-68.7	139.2	176.7	0	0	0	0	0	110.8	G146 V147 L176 D177 Q178 E229 N230	G146-A180 WeakPolarHBondContact O-CB 3.32Å; V147-A180 HydrophobicContact CG2-CB 4.22Å; L176-A180 HydrophobicContact CB-CB 4.22Å; D177-A180 WeakPolarHBondContact O-CB 3.34Å; D177-A180 PolarHBondContact O-N 3.16Å; Q178-A180 PolarHBondContact O-N 2.89Å; A180-E229 WeakPolarHBondContact O-CA 3.13Å; A180-N230 PolarHBondContact O-N 2.82Å
181	K	98.8	Very high	98.6	Very high	84 Å²	84	45.3 Å²	45.3	37%	0.365	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	134.5	-178.3	-173.5	175.3	-178.5	176.8	0	109.5	D206 Q227 V228 E229	K181-D206 IonicContact NZ-OD1 3.94Å; K181-D206 PolarHBondContact NZ-OD1 2.78Å; K181-D206 IonicContact NZ-OD2 2.64Å; K181-D206 PolarHBondContact NZ-OD2 3.13Å; K181-Q227 HydrophobicContact CG-CG 4.4Å; K181-V228 WeakPolarHBondContact CA-O 3.48Å; K181-E229 HydrophobicContact CB-CB 4.47Å; K181-E229 HydrophobicContact CB-CG 4.2Å; K181-E229 HydrophobicContact CD-CG 4.49Å; K181-E229 HydrophobicContact CG-CB 4.21Å; K181-E229 HydrophobicContact CG-CG 4.28Å
182	H	98.8	Very high	98.6	Very high	24 Å²	24	45.4 Å²	45.4	11%	0.111	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	147.3	-179	-174.5	57.3	0	0	0	111.1	V147 F174 Q184 Q227 V228	V147-H182 HydrophobicContact CG1-CB 4.13Å; V147-H182 HydrophobicContact CG2-CB 3.9Å; F174-H182 AromaticContact CE1-CD2 3.4Å; F174-H182 WeakPolarHBondContact CE1-CD2 3.33Å; F174-H182 AromaticContact CE1-NE2 3.81Å; F174-H182 AromaticContact CZ-CD2 3.58Å; F174-H182 AromaticContact CZ-NE2 3.78Å; H182-Q184 PolarHBondContact NE2-OE1 3.34Å; H182-Q184 VanDerWaalsContact NE2-OE1 3.12Å; H182-Q227 WeakPolarHBondContact O-CA 3.13Å; H182-V228 HydrophobicContact CB-CG2 3.81Å; H182-V228 PolarHBondContact N-O 2.79Å; H182-V228 PolarHBondContact O-N 2.94Å
183	S	98.6	Very high	98.6	Very high	55 Å²	55	45.4 Å²	45.4	39%	0.385	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.4	168.2	176.3	0	0	0	0	108.2	N225 V226	S183-N225 PolarHBondContact OG-OD1 3.09Å; S183-V226 WeakPolarHBondContact CA-O 3.31Å
184	Q	98.9	Very high	98.6	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.6	179.5	179.9	60.3	40.3	0	0	110	E155 L170 L172 F174 H182 N225 V226 L240	E155-Q184 PolarHBondContact O-NE2 2.99Å; E155-Q184 VanDerWaalsContact O-NE2 3.16Å; L170-Q184 HydrophobicContact CD2-CG 4.47Å; L172-Q184 HydrophobicContact CD1-CG 3.84Å; F174-Q184 HydrophobicContact CZ-CB 4.48Å; H182-Q184 PolarHBondContact NE2-OE1 3.34Å; H182-Q184 VanDerWaalsContact NE2-OE1 3.12Å; Q184-N225 CarbonylContact O-C 3.52Å; Q184-N225 WeakPolarHBondContact O-CA 3.39Å; Q184-N225 WeakPolarHBondContact O-CB 3.43Å; Q184-V226 HydrophobicContact CB-CG1 4.23Å; Q184-V226 PolarHBondContact N-O 3.03Å; Q184-V226 PolarHBondContact O-N 2.88Å; Q184-L240 HydrophobicContact CB-CD2 3.82Å; Q184-L240 HydrophobicContact CG-CD2 3.54Å
185	P	98.6	Very high	98.6	Very high	84 Å²	84	45.1 Å²	45.1	55%	0.545	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	138.2	169.4	-21.5	33.3	0	0	0	111.2	D224	P185-D224 WeakPolarHBondContact CA-O 3.33Å
186	I	98.6	Very high	98.6	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	24%	0.242	C	C	.	.			trans	-126.8	129.7	173.7	-66.6	167.3	0	0	0	107.2	K5 L170 K188 W190 L220 D224 V226 L240 A242	K5-I186 HydrophobicContact CD-CD1 3.88Å; L170-I186 HydrophobicContact CD2-CG1 4.46Å; I186-K188 PolarHBondContact O-N 2.83Å; I186-W190 HydrophobicContact CG2-CB 4.19Å; I186-L220 HydrophobicContact CD1-CD1 4.15Å; I186-D224 PolarHBondContact N-O 3.19Å; I186-V226 HydrophobicContact CD1-CB 4.13Å; I186-V226 HydrophobicContact CD1-CG1 3.66Å; I186-L240 HydrophobicContact CD1-CD1 4.07Å; I186-L240 HydrophobicContact CD1-CD2 4.32Å; I186-A242 HydrophobicContact CG2-CB 3.84Å
187	P	98.3	Very high	98.6	Very high	58 Å²	58	43.2 Å²	43.2	38%	0.377	25%	0.245	S	C	.	.			trans	-53.6	140.1	178.6	-26.1	34.6	0	0	0	112.2	G189 W190	P187-G189 PolarHBondContact O-N 3.29Å; P187-W190 HydrophobicContact CB-CD2 3.72Å; P187-W190 HydrophobicContact CB-CE3 4.33Å; P187-W190 HydrophobicContact CB-CG 3.79Å; P187-W190 HydrophobicContact CB-CZ2 4.29Å; P187-W190 HydrophobicContact CG-CD2 3.75Å; P187-W190 HydrophobicContact CG-CE3 3.87Å; P187-W190 HydrophobicContact CG-CG 4.31Å; P187-W190 HydrophobicContact CG-CH2 4.16Å; P187-W190 HydrophobicContact CG-CZ2 4.03Å; P187-W190 HydrophobicContact CG-CZ3 4.08Å; P187-W190 WeakPolarHBondContact O-CB 3.43Å; P187-W190 PolarHBondContact O-N 2.77Å
188	K	97.1	Very high	98.6	Very high	192 Å²	192	42.2 Å²	42.2	84%	0.835	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	134.7	-177.2	-175.2	177.6	179	180	0	110.5	I186 W190	I186-K188 PolarHBondContact O-N 2.83Å; K188-W190 PolarHBondContact O-N 3.45Å
189	G	97.4	Very high	98.6	Very high	40 Å²	40	35.9 Å²	35.9	41%	0.412	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	-1.2	178.2	0	0	0	0	0	114.7	P187 P245	P187-G189 PolarHBondContact O-N 3.29Å; G189-P245 WeakPolarHBondContact O-CD 3.22Å
190	W	98.8	Very high	98.6	Very high	48 Å²	48	34.9 Å²	34.9	18%	0.182	20%	0.197	C	C	.	.			trans	-72.8	136.5	171.1	-75.9	23.7	0	0	0	110.6	P168 L170 I186 P187 K188 A242 G243 E244	P168-W190 HydrophobicContact CB-CH2 3.58Å; P168-W190 HydrophobicContact CB-CZ2 3.37Å; L170-W190 HydrophobicContact CB-CZ3 4Å; I186-W190 HydrophobicContact CG2-CB 4.19Å; P187-W190 HydrophobicContact CB-CD2 3.72Å; P187-W190 HydrophobicContact CB-CE3 4.33Å; P187-W190 HydrophobicContact CB-CG 3.79Å; P187-W190 HydrophobicContact CB-CZ2 4.29Å; P187-W190 HydrophobicContact CG-CD2 3.75Å; P187-W190 HydrophobicContact CG-CE3 3.87Å; P187-W190 HydrophobicContact CG-CG 4.31Å; P187-W190 HydrophobicContact CG-CH2 4.16Å; P187-W190 HydrophobicContact CG-CZ2 4.03Å; P187-W190 HydrophobicContact CG-CZ3 4.08Å; P187-W190 WeakPolarHBondContact O-CB 3.43Å; P187-W190 PolarHBondContact O-N 2.77Å; K188-W190 PolarHBondContact O-N 3.45Å; W190-A242 HydrophobicContact CE3-CB 4.06Å; W190-G243 WeakPolarHBondContact CA-O 3.2Å; W190-G243 WeakPolarHBondContact CB-O 3.42Å; W190-E244 HydrophobicContact CZ2-CB 4.35Å
191	T	98.9	Very high	98.6	Very high	30 Å²	30	34.6 Å²	34.6	18%	0.184	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	137.9	164.3	-74.5	0	0	0	0	108.4	L36 D37 F39 A242 G243	L36-T191 HydrophobicContact CB-CG2 4.43Å; L36-T191 HydrophobicContact CD1-CG2 4.35Å; L36-T191 HydrophobicContact CD2-CG2 3.69Å; L36-T191 HydrophobicContact CG-CG2 3.48Å; L36-T191 VanDerWaalsContact CG-CG2 3.48Å; D37-T191 WeakPolarHBondContact O-CB 3.25Å; D37-T191 PolarHBondContact O-OG1 2.89Å; F39-T191 HydrophobicContact CD2-CG2 3.96Å; F39-T191 HydrophobicContact CE2-CG2 3.97Å; T191-A242 CarbonylContact O-C 3.59Å; T191-A242 WeakPolarHBondContact O-CA 3.14Å; T191-A242 WeakPolarHBondContact O-CB 3.1Å; T191-G243 PolarHBondContact N-O 2.98Å; T191-G243 PolarHBondContact O-N 3.25Å
192	S	98.9	Very high	98.6	Very high	2 Å²	2	33 Å²	33	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	144.4	179.2	57.5	0	0	0	0	113.1	L220 I241	S192-L220 PolarHBondContact O-N 2.82Å; S192-L220 WeakPolarHBondContact OG-CB 3.03Å; S192-I241 CarbonylContact C-O 3.5Å; S192-I241 VanDerWaalsContact CA-O 3.28Å; S192-I241 WeakPolarHBondContact CA-O 3.47Å
193	F	98.9	Very high	98.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.1	176.4	69.6	-84.9	0	0	0	111.5	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 4.1Å; I28-F193 HydrophobicContact CD1-CG 4.42Å; I28-F193 HydrophobicContact CD1-CZ 3.57Å; L36-F193 HydrophobicContact CD2-CB 4.43Å; L36-F193 HydrophobicContact CD2-CD1 4.2Å; F39-F193 HydrophobicContact CD2-CD1 4.07Å; F39-F193 AromaticContact CD2-CE1 3.61Å; F39-F193 HydrophobicContact CD2-CE1 3.61Å; F39-F193 HydrophobicContact CE2-CD1 4.24Å; F39-F193 AromaticContact CE2-CE1 3.9Å; F39-F193 HydrophobicContact CE2-CE1 3.9Å; F39-F193 HydrophobicContact CG-CE1 4Å; F42-F193 HydrophobicContact CD1-CE2 4.29Å; F42-F193 HydrophobicContact CD2-CZ 4.37Å; F42-F193 HydrophobicContact CG-CE2 4.25Å; F42-F193 HydrophobicContact CG-CZ 4.29Å; L116-F193 HydrophobicContact CD1-CZ 4.26Å; F193-T217 HydrophobicContact CB-CG2 3.92Å; F193-T217 HydrophobicContact CD2-CG2 3.75Å; F193-T217 HydrophobicContact CG-CG2 4.08Å; F193-A218 CarbonylContact C-O 3.58Å; F193-A218 VanDerWaalsContact CA-O 3.26Å; F193-A218 WeakPolarHBondContact CA-O 3.48Å; F193-I241 HydrophobicContact CD1-CB 4.21Å; F193-I241 HydrophobicContact CD1-CG2 4.39Å; F193-I241 HydrophobicContact CE1-CB 3.64Å; F193-I241 HydrophobicContact CE1-CD1 4.38Å; F193-I241 HydrophobicContact CE1-CG2 3.55Å; F193-I241 HydrophobicContact CE2-CB 4.18Å; F193-I241 HydrophobicContact CE2-CD1 3.82Å; F193-I241 HydrophobicContact CE2-CG1 4.49Å; F193-I241 HydrophobicContact CZ-CB 3.63Å; F193-I241 HydrophobicContact CZ-CD1 3.51Å; F193-I241 HydrophobicContact CZ-CG1 4.15Å; F193-I241 HydrophobicContact CZ-CG2 3.8Å; F193-I241 PolarHBondContact N-O 2.68Å; F193-I241 PolarHBondContact O-N 3.18Å
194	I	98.9	Very high	98.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.3	168.8	-71.7	169.7	0	0	0	108.8	T196 I203 T217 A218 L220 V226 V228 F238 V239 L240	I194-T196 HydrophobicContact CG2-CG2 4.32Å; I194-I203 HydrophobicContact CB-CD1 4.08Å; I194-I203 HydrophobicContact CD1-CD1 3.65Å; I194-I203 HydrophobicContact CD1-CG1 4.02Å; I194-I203 HydrophobicContact CD1-CG2 4.31Å; I194-I203 HydrophobicContact CG1-CD1 4.45Å; I194-I203 HydrophobicContact CG2-CD1 4.03Å; I194-T217 CarbonylContact O-C 3.44Å; I194-T217 VanDerWaalsContact O-CA 3.32Å; I194-T217 WeakPolarHBondContact O-CA 3.21Å; I194-A218 PolarHBondContact N-O 2.9Å; I194-A218 PolarHBondContact O-N 3.41Å; I194-L220 HydrophobicContact CD1-CD1 4.44Å; I194-L220 HydrophobicContact CG1-CD1 4.37Å; I194-V226 HydrophobicContact CD1-CG2 4.32Å; I194-V228 HydrophobicContact CD1-CG1 3.76Å; I194-F238 HydrophobicContact CD1-CE2 4.43Å; I194-F238 HydrophobicContact CG2-CB 3.93Å; I194-F238 HydrophobicContact CG2-CD2 3.65Å; I194-F238 HydrophobicContact CG2-CE2 4.48Å; I194-F238 HydrophobicContact CG2-CG 4.01Å; I194-V239 CarbonylContact C-O 3.55Å; I194-V239 VanDerWaalsContact CA-O 3.25Å; I194-V239 WeakPolarHBondContact CA-O 3.12Å; I194-L240 HydrophobicContact CD1-CD1 4.28Å; I194-L240 HydrophobicContact CG1-CB 4.15Å; I194-L240 HydrophobicContact CG1-CD1 3.63Å; I194-L240 HydrophobicContact CG1-CG 4.46Å
195	Y	98.9	Very high	98.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	122.2	167.6	-178.5	-97.9	0	0	0	111	S13 F42 E44 L114 I197 H216 T217 F238 V239	S13-Y195 WeakPolarHBondContact OG-CE2 3.49Å; F42-Y195 HydrophobicContact CD1-CD2 4.06Å; F42-Y195 HydrophobicContact CD1-CG 4.15Å; F42-Y195 AromaticContact CE1-CD1 3.63Å; F42-Y195 HydrophobicContact CE1-CD1 3.63Å; F42-Y195 AromaticContact CE1-CD2 3.69Å; F42-Y195 HydrophobicContact CE1-CD2 3.69Å; F42-Y195 HydrophobicContact CE1-CE1 4.18Å; F42-Y195 HydrophobicContact CE1-CE2 4.2Å; F42-Y195 AromaticContact CE1-CG 3.34Å; F42-Y195 HydrophobicContact CE1-CG 3.34Å; F42-Y195 HydrophobicContact CZ-CD1 4.21Å; F42-Y195 HydrophobicContact CZ-CG 4.18Å; E44-Y195 HydrophobicContact CB-CE1 3.95Å; E44-Y195 WeakPolarHBondContact CB-OH 3.25Å; E44-Y195 HydrophobicContact CG-CE1 4.44Å; E44-Y195 PolarHBondContact OE2-OH 2.87Å; L114-Y195 HydrophobicContact CD2-CD1 4.41Å; L114-Y195 HydrophobicContact CD2-CE1 4.25Å; Y195-I197 HydrophobicContact CD1-CG1 4.07Å; Y195-I197 HydrophobicContact CE1-CG1 4.26Å; Y195-H216 WeakPolarHBondContact CA-O 3.44Å; Y195-T217 WeakPolarHBondContact CD2-OG1 3.36Å; Y195-F238 CarbonylContact O-C 3.57Å; Y195-F238 WeakPolarHBondContact O-CA 3.34Å; Y195-F238 WeakPolarHBondContact O-CB 3.5Å; Y195-V239 PolarHBondContact N-O 3.16Å; Y195-V239 PolarHBondContact O-N 2.84Å
196	T	98.9	Very high	98.5	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.2	-178.4	51	0	0	0	0	111.6	I194 V201 I212 E213 P214 H215 H216 F238	I194-T196 HydrophobicContact CG2-CG2 4.32Å; T196-V201 HydrophobicContact CG2-CG1 3.63Å; T196-I212 HydrophobicContact CG2-CB 4.26Å; T196-I212 HydrophobicContact CG2-CG2 3.71Å; T196-E213 WeakPolarHBondContact CB-O 3.37Å; T196-E213 PolarHBondContact OG1-O 3.33Å; T196-P214 WeakPolarHBondContact OG1-CA 3.39Å; T196-H215 WeakPolarHBondContact O-CA 3.12Å; T196-H215 PolarHBondContact O-N 3.32Å; T196-H215 PolarHBondContact OG1-N 2.76Å; T196-H216 PolarHBondContact N-O 2.89Å; T196-H216 PolarHBondContact OG1-N 3.22Å; T196-H216 PolarHBondContact OG1-O 2.86Å; T196-F238 HydrophobicContact CG2-CB 4.29Å
197	I	98.9	Very high	98.4	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-52.6	-177.5	-58.6	161.1	0	0	0	109.9	L68 L114 Y195 H237 V239	L68-I197 HydrophobicContact CD1-CD1 4.14Å; L68-I197 HydrophobicContact CD1-CG2 4.01Å; L68-I197 HydrophobicContact CD2-CD1 4.27Å; L114-I197 HydrophobicContact CD1-CD1 4.13Å; Y195-I197 HydrophobicContact CD1-CG1 4.07Å; Y195-I197 HydrophobicContact CE1-CG1 4.26Å; I197-H237 WeakPolarHBondContact CA-O 3.36Å; I197-H237 WeakPolarHBondContact CB-O 3.29Å; I197-H237 PolarHBondContact N-O 3.36Å; I197-V239 HydrophobicContact CD1-CG1 4.19Å
198	S	98.8	Very high	98.4	Very high	46 Å²	46	36.3 Å²	36.3	32%	0.322	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	160.3	178.5	65.2	0	0	0	0	112.1	H237	S198-H237 PolarHBondContact N-O 3.01Å; S198-H237 VanDerWaalsContact N-O 3.11Å; S198-H237 PolarHBondContact O-N 2.88Å
199	G	98.7	Very high	98.4	Very high	4 Å²	4	29.1 Å²	29.1	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	63.9	-177	-168	0	0	0	0	0	111.9	P214	G199-P214 WeakPolarHBondContact O-CD 3.37Å; G199-P214 WeakPolarHBondContact O-CG 3.36Å
200	D	98.8	Very high	98.5	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.171	17%	0.17	C	C	.	.			trans	-110	153.7	-179.5	-61.5	-46.7	0	0	0	110.8	K211 E213 D232 S236	D200-K211 HydrophobicContact CB-CG 4.4Å; D200-K211 WeakPolarHBondContact OD2-CE 3.36Å; D200-K211 IonicContact OD2-NZ 2.92Å; D200-K211 PolarHBondContact OD2-NZ 2.83Å; D200-E213 WeakPolarHBondContact OD1-CA 3.24Å; D200-D232 WeakPolarHBondContact CB-OD2 3.39Å; D200-S236 WeakPolarHBondContact O-CB 3.48Å; D200-S236 PolarHBondContact O-OG 2.91Å
201	V	98.9	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	138.4	173.6	62.8	0	0	0	0	110.8	T196 I203 I212 V228 S236 F238	T196-V201 HydrophobicContact CG2-CG1 3.63Å; V201-I203 HydrophobicContact CG1-CD1 3.77Å; V201-I203 HydrophobicContact CG1-CG1 3.94Å; V201-I203 HydrophobicContact CG2-CG1 4.07Å; V201-I212 HydrophobicContact CG1-CB 4.2Å; V201-I212 PolarHBondContact N-O 3.12Å; V201-I212 VanDerWaalsContact N-O 3.12Å; V201-I212 PolarHBondContact O-N 2.85Å; V201-V228 HydrophobicContact CG2-CB 3.95Å; V201-V228 HydrophobicContact CG2-CG1 4.23Å; V201-S236 WeakPolarHBondContact CB-OG 3.48Å; V201-F238 HydrophobicContact CB-CD1 4.11Å; V201-F238 HydrophobicContact CB-CE1 4.1Å; V201-F238 HydrophobicContact CG1-CD1 4.33Å; V201-F238 HydrophobicContact CG2-CD1 4.12Å; V201-F238 HydrophobicContact CG2-CE1 3.65Å; V201-F238 HydrophobicContact CG2-CZ 4.07Å
202	Y	98.9	Very high	98.5	Very high	50 Å²	50	31.6 Å²	31.6	20%	0.196	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.4	171.6	-72	-102.7	0	0	0	109.2	Q209 Q210 K211 V228 E229 K231	Y202-Q209 HydrophobicContact CD1-CB 4.33Å; Y202-Q210 WeakPolarHBondContact CA-O 3.36Å; Y202-K211 HydrophobicContact CD1-CB 4.09Å; Y202-K211 HydrophobicContact CE1-CB 3.77Å; Y202-K211 HydrophobicContact CE1-CD 4.49Å; Y202-K211 HydrophobicContact CE1-CG 4.28Å; Y202-K211 HydrophobicContact CE2-CB 4.43Å; Y202-K211 HydrophobicContact CE2-CD 4.2Å; Y202-K211 HydrophobicContact CE2-CG 4.09Å; Y202-V228 CarbonylContact O-C 3.54Å; Y202-V228 WeakPolarHBondContact O-CA 3.33Å; Y202-E229 PolarHBondContact N-O 3.35Å; Y202-E229 PolarHBondContact O-N 2.5Å; Y202-K231 HydrophobicContact CD1-CD 4.05Å; Y202-K231 HydrophobicContact CD2-CB 3.93Å; Y202-K231 HydrophobicContact CD2-CD 3.9Å; Y202-K231 HydrophobicContact CD2-CG 3.72Å; Y202-K231 HydrophobicContact CE1-CD 4.05Å; Y202-K231 HydrophobicContact CE2-CB 3.63Å; Y202-K231 HydrophobicContact CE2-CD 3.94Å; Y202-K231 HydrophobicContact CE2-CG 3.88Å; Y202-K231 HydrophobicContact CG-CD 3.96Å; Y202-K231 HydrophobicContact CG-CG 4.17Å
203	I	98.9	Very high	98.5	Very high	1 Å²	1	37 Å²	37	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.9	-174.7	-59.8	167.1	0	0	0	109.9	V7 I194 V201 Q209 Q210 I212 A218 L220 V226 Q227 V228	V7-I203 HydrophobicContact CG2-CB 3.88Å; V7-I203 HydrophobicContact CG2-CD1 4.45Å; V7-I203 HydrophobicContact CG2-CG2 3.7Å; I194-I203 HydrophobicContact CB-CD1 4.08Å; I194-I203 HydrophobicContact CD1-CD1 3.65Å; I194-I203 HydrophobicContact CD1-CG1 4.02Å; I194-I203 HydrophobicContact CD1-CG2 4.31Å; I194-I203 HydrophobicContact CG1-CD1 4.45Å; I194-I203 HydrophobicContact CG2-CD1 4.03Å; V201-I203 HydrophobicContact CG1-CD1 3.77Å; V201-I203 HydrophobicContact CG1-CG1 3.94Å; V201-I203 HydrophobicContact CG2-CG1 4.07Å; I203-Q209 WeakPolarHBondContact O-CA 3.32Å; I203-Q210 PolarHBondContact N-O 3.1Å; I203-Q210 PolarHBondContact O-N 3.28Å; I203-I212 HydrophobicContact CD1-CB 4.23Å; I203-I212 HydrophobicContact CD1-CG1 3.75Å; I203-I212 HydrophobicContact CG1-CG1 4.42Å; I203-A218 HydrophobicContact CD1-CB 4.08Å; I203-L220 HydrophobicContact CG2-CD2 3.83Å; I203-V226 HydrophobicContact CG2-CG2 3.76Å; I203-Q227 WeakPolarHBondContact CA-O 3.31Å; I203-V228 HydrophobicContact CG1-CG1 4.27Å
204	G	98.5	Very high	98.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.206	C	C	.	.	S	Bend	trans	125.5	174.2	176	0	0	0	0	0	114.3	Q209 Q227	G204-Q209 WeakPolarHBondContact O-CG 3.47Å; G204-Q227 PolarHBondContact N-O 2.98Å; G204-Q227 WeakPolarHBondContact O-CB 3.42Å; G204-Q227 PolarHBondContact O-NE2 3.12Å; G204-Q227 VanDerWaalsContact O-NE2 3.1Å
205	P	98.1	Very high	98.5	Very high	23 Å²	23	41.3 Å²	41.3	15%	0.149	22%	0.217	C	C	.	.			trans	-64.6	159.4	175.1	28.5	-32.7	0	0	0	111.3	K6 D207 A208 Q209	K6-P205 HydrophobicContact CG-CG 4.28Å; P205-D207 WeakPolarHBondContact CG-OD1 3.47Å; P205-D207 PolarHBondContact O-N 3.26Å; P205-A208 HydrophobicContact CG-CB 4.16Å; P205-A208 CarbonylContact O-C 3.54Å; P205-A208 PolarHBondContact O-N 2.84Å; P205-Q209 WeakPolarHBondContact O-CG 3.22Å; P205-Q209 PolarHBondContact O-N 3.31Å; P205-Q209 VanDerWaalsContact O-N 3.16Å
206	D	96.8	Very high	98.5	Very high	109 Å²	109	43 Å²	43	58%	0.583	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-33.4	-174	-68.9	-6	0	0	0	114.6	K181 Q227	K181-D206 IonicContact NZ-OD1 3.94Å; K181-D206 PolarHBondContact NZ-OD1 2.78Å; K181-D206 IonicContact NZ-OD2 2.64Å; K181-D206 PolarHBondContact NZ-OD2 3.13Å; D206-Q227 PolarHBondContact OD1-NE2 2.83Å; D206-Q227 PolarHBondContact OD1-OE1 3.41Å
207	D	96.7	Very high	98.5	Very high	138 Å²	138	43 Å²	43	74%	0.738	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.2	-178.2	69.1	-24.4	0	0	0	114.3	P205	P205-D207 WeakPolarHBondContact CG-OD1 3.47Å; P205-D207 PolarHBondContact O-N 3.26Å
208	A	97.4	Very high	98.5	Very high	36 Å²	36	42.5 Å²	42.5	30%	0.298	22%	0.222	S	C	.	.	S	Bend	trans	-151.1	38.1	-174.1	0	0	0	0	0	113.6	K6 P205	K6-A208 HydrophobicContact CD-CB 4.09Å; K6-A208 VanDerWaalsContact NZ-CB 3.3Å; P205-A208 HydrophobicContact CG-CB 4.16Å; P205-A208 CarbonylContact O-C 3.54Å; P205-A208 PolarHBondContact O-N 2.84Å
209	Q	98.2	Very high	98.5	Very high	42 Å²	42	41.1 Å²	41.1	20%	0.196	21%	0.212	C	C	.	.			trans	-67.3	138	175.1	-71.5	177.9	-52.6	0	0	111.8	Y202 I203 G204 P205 E229 K231	Y202-Q209 HydrophobicContact CD1-CB 4.33Å; I203-Q209 WeakPolarHBondContact O-CA 3.32Å; G204-Q209 WeakPolarHBondContact O-CG 3.47Å; P205-Q209 WeakPolarHBondContact O-CG 3.22Å; P205-Q209 PolarHBondContact O-N 3.31Å; P205-Q209 VanDerWaalsContact O-N 3.16Å; Q209-E229 PolarHBondContact NE2-OE2 2.89Å; Q209-K231 VanDerWaalsContact OE1-CE 3.26Å
210	Q	98.8	Very high	98.5	Very high	91 Å²	91	41.4 Å²	41.4	43%	0.425	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.5	170	-169.4	173.9	28.7	0	0	109.9	Y202 I203 I212	Y202-Q210 WeakPolarHBondContact CA-O 3.36Å; I203-Q210 PolarHBondContact N-O 3.1Å; I203-Q210 PolarHBondContact O-N 3.28Å; Q210-I212 HydrophobicContact CB-CD1 4.43Å; Q210-I212 HydrophobicContact CG-CD1 3.85Å
211	K	98.8	Very high	98.5	Very high	74 Å²	74	40.8 Å²	40.8	32%	0.322	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127	170.2	-174	176.7	-179	154.2	0	109.2	D200 Y202 D232	D200-K211 HydrophobicContact CB-CG 4.4Å; D200-K211 WeakPolarHBondContact OD2-CE 3.36Å; D200-K211 IonicContact OD2-NZ 2.92Å; D200-K211 PolarHBondContact OD2-NZ 2.83Å; Y202-K211 HydrophobicContact CD1-CB 4.09Å; Y202-K211 HydrophobicContact CE1-CB 3.77Å; Y202-K211 HydrophobicContact CE1-CD 4.49Å; Y202-K211 HydrophobicContact CE1-CG 4.28Å; Y202-K211 HydrophobicContact CE2-CB 4.43Å; Y202-K211 HydrophobicContact CE2-CD 4.2Å; Y202-K211 HydrophobicContact CE2-CG 4.09Å; K211-D232 IonicContact NZ-OD1 2.86Å; K211-D232 PolarHBondContact NZ-OD1 2.86Å; K211-D232 IonicContact NZ-OD2 3.76Å; K211-D232 PolarHBondContact NZ-OD2 3.07Å
212	I	98.9	Very high	98.4	Very high	5 Å²	5	48 Å²	48	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.7	175.9	-53.5	-60.6	0	0	0	108.6	V7 T196 V201 I203 Q210 H216 A218	V7-I212 HydrophobicContact CG2-CD1 4.43Å; T196-I212 HydrophobicContact CG2-CB 4.26Å; T196-I212 HydrophobicContact CG2-CG2 3.71Å; V201-I212 HydrophobicContact CG1-CB 4.2Å; V201-I212 PolarHBondContact N-O 3.12Å; V201-I212 VanDerWaalsContact N-O 3.12Å; V201-I212 PolarHBondContact O-N 2.85Å; I203-I212 HydrophobicContact CD1-CB 4.23Å; I203-I212 HydrophobicContact CD1-CG1 3.75Å; I203-I212 HydrophobicContact CG1-CG1 4.42Å; Q210-I212 HydrophobicContact CB-CD1 4.43Å; Q210-I212 HydrophobicContact CG-CD1 3.85Å; I212-H216 HydrophobicContact CG2-CB 3.65Å; I212-A218 HydrophobicContact CD1-CB 4.45Å; I212-A218 HydrophobicContact CG1-CB 4.24Å; I212-A218 HydrophobicContact CG2-CB 4.42Å
213	E	98.8	Very high	98.3	Very high	114 Å²	114	46.1 Å²	46.1	53%	0.533	24%	0.243	S	C	.	.			trans	-83	167.8	178.7	-63.8	-176.6	167.9	0	0	111.2	T196 D200 H216	T196-E213 WeakPolarHBondContact CB-O 3.37Å; T196-E213 PolarHBondContact OG1-O 3.33Å; D200-E213 WeakPolarHBondContact OD1-CA 3.24Å; E213-H216 PolarHBondContact O-ND1 3.13Å; E213-H216 VanDerWaalsContact O-ND1 3.07Å
214	P	98.9	Very high	98.2	Very high	40 Å²	40	49.6 Å²	49.6	26%	0.26	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	155.6	179.2	-29.8	36.6	0	0	0	115.6	T196 G199 H216	T196-P214 WeakPolarHBondContact OG1-CA 3.39Å; G199-P214 WeakPolarHBondContact O-CD 3.37Å; G199-P214 WeakPolarHBondContact O-CG 3.36Å; P214-H216 VanDerWaalsContact C-N 3.28Å; P214-H216 PolarHBondContact O-N 3.23Å; P214-H216 PolarHBondContact O-ND1 3.23Å
215	H	98.8	Very high	98.1	Very high	51 Å²	51	50.9 Å²	50.9	24%	0.236	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.8	21.4	176.1	-47	-58.4	0	0	0	115.7	L12 S13 E44 T196	L12-H215 HydrophobicContact CD1-CB 4.23Å; S13-H215 VanDerWaalsContact CB-O 3.24Å; S13-H215 WeakPolarHBondContact CB-O 3.44Å; S13-H215 PolarHBondContact N-O 3.46Å; S13-H215 PolarHBondContact OG-O 3.15Å; E44-H215 IonicContact OE1-CE1 3.31Å; E44-H215 IonicContact OE2-CE1 2.95Å; E44-H215 PolarHBondContact OE2-CE1 3.19Å; E44-H215 IonicContact OE2-ND1 3.48Å; E44-H215 PolarHBondContact OE2-ND1 3.3Å; T196-H215 WeakPolarHBondContact O-CA 3.12Å; T196-H215 PolarHBondContact O-N 3.32Å; T196-H215 PolarHBondContact OG1-N 2.76Å
216	H	98.9	Very high	98.2	Very high	37 Å²	37	49.8 Å²	49.8	17%	0.171	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	142.4	175.5	-72.6	81.4	0	0	0	111.4	S10 V11 Y195 T196 I212 E213 P214	S10-H216 PolarHBondContact OG-CD2 3.14Å; S10-H216 VanDerWaalsContact OG-CD2 3.29Å; V11-H216 CarbonylContact O-C 3.59Å; V11-H216 WeakPolarHBondContact O-CA 2.95Å; Y195-H216 WeakPolarHBondContact CA-O 3.44Å; T196-H216 PolarHBondContact N-O 2.89Å; T196-H216 PolarHBondContact OG1-N 3.22Å; T196-H216 PolarHBondContact OG1-O 2.86Å; I212-H216 HydrophobicContact CG2-CB 3.65Å; E213-H216 PolarHBondContact O-ND1 3.13Å; E213-H216 VanDerWaalsContact O-ND1 3.07Å; P214-H216 VanDerWaalsContact C-N 3.28Å; P214-H216 PolarHBondContact O-N 3.23Å; P214-H216 PolarHBondContact O-ND1 3.23Å
217	T	98.9	Very high	98.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	115.1	158.1	-75.5	0	0	0	0	109.3	S10 V11 S27 L33 F193 I194 Y195 V219	S10-T217 CarbonylContact C-O 3.58Å; S10-T217 WeakPolarHBondContact CA-O 3.49Å; V11-T217 PolarHBondContact N-O 3.03Å; V11-T217 PolarHBondContact O-N 3.19Å; S27-T217 VanDerWaalsContact CB-OG1 3.25Å; S27-T217 WeakPolarHBondContact CB-OG1 3.26Å; S27-T217 WeakPolarHBondContact OG-CB 3.41Å; S27-T217 PolarHBondContact OG-OG1 3.28Å; L33-T217 HydrophobicContact CD2-CG2 4.04Å; F193-T217 HydrophobicContact CB-CG2 3.92Å; F193-T217 HydrophobicContact CD2-CG2 3.75Å; F193-T217 HydrophobicContact CG-CG2 4.08Å; I194-T217 CarbonylContact O-C 3.44Å; I194-T217 VanDerWaalsContact O-CA 3.32Å; I194-T217 WeakPolarHBondContact O-CA 3.21Å; Y195-T217 WeakPolarHBondContact CD2-OG1 3.36Å; T217-V219 HydrophobicContact CG2-CG2 4.26Å
218	A	98.9	Very high	98.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	101.3	172.1	0	0	0	0	0	109.6	V7 L9 F193 I194 I203 I212	V7-A218 HydrophobicContact CG1-CB 3.92Å; V7-A218 HydrophobicContact CG2-CB 4Å; L9-A218 CarbonylContact O-C 3.59Å; L9-A218 WeakPolarHBondContact O-CA 3.37Å; F193-A218 CarbonylContact C-O 3.58Å; F193-A218 VanDerWaalsContact CA-O 3.26Å; F193-A218 WeakPolarHBondContact CA-O 3.48Å; I194-A218 PolarHBondContact N-O 2.9Å; I194-A218 PolarHBondContact O-N 3.41Å; I203-A218 HydrophobicContact CD1-CB 4.08Å; I212-A218 HydrophobicContact CD1-CB 4.45Å; I212-A218 HydrophobicContact CG1-CB 4.24Å; I212-A218 HydrophobicContact CG2-CB 4.42Å
219	V	98.9	Very high	98.5	Very high	16 Å²	16	39.6 Å²	39.6	10%	0.097	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.8	173	-176.6	0	0	0	0	108.8	V7 T8 L9 L33 L36 T217	V7-V219 CarbonylContact C-O 3.42Å; V7-V219 WeakPolarHBondContact CA-O 3.4Å; T8-V219 PolarHBondContact N-O 2.72Å; T8-V219 PolarHBondContact OG1-O 2.86Å; L9-V219 HydrophobicContact CB-CB 4.08Å; L9-V219 HydrophobicContact CB-CG2 4.17Å; L9-V219 HydrophobicContact CD2-CG2 4.26Å; L9-V219 PolarHBondContact O-N 2.76Å; L33-V219 HydrophobicContact CD1-CG2 4.42Å; L33-V219 HydrophobicContact CD2-CG2 4.15Å; L36-V219 HydrophobicContact CD1-CG1 4.44Å; L36-V219 HydrophobicContact CD2-CG1 4.22Å; L36-V219 HydrophobicContact CD2-CG2 4.16Å; T217-V219 HydrophobicContact CG2-CG2 4.26Å
220	L	98.9	Very high	98.5	Very high	11 Å²	11	37.6 Å²	37.6	6%	0.058	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	138.5	-176.3	-52.5	175.6	0	0	0	110.4	K5 V7 I186 S192 I194 I203 V226 L240	K5-L220 HydrophobicContact CB-CB 4.22Å; K5-L220 HydrophobicContact CD-CB 3.85Å; K5-L220 HydrophobicContact CD-CD1 4.23Å; V7-L220 HydrophobicContact CG2-CD2 4.26Å; I186-L220 HydrophobicContact CD1-CD1 4.15Å; S192-L220 PolarHBondContact O-N 2.82Å; S192-L220 WeakPolarHBondContact OG-CB 3.03Å; I194-L220 HydrophobicContact CD1-CD1 4.44Å; I194-L220 HydrophobicContact CG1-CD1 4.37Å; I203-L220 HydrophobicContact CG2-CD2 3.83Å; L220-V226 HydrophobicContact CD1-CB 3.98Å; L220-V226 HydrophobicContact CD1-CG1 4.15Å; L220-V226 HydrophobicContact CD1-CG2 3.82Å; L220-V226 HydrophobicContact CD2-CG2 4.1Å; L220-L240 HydrophobicContact CD1-CD1 3.88Å
221	G	98.4	Very high	98.5	Very high	19 Å²	19	37.7 Å²	37.7	20%	0.196	19%	0.189	C	C	.	.			trans	-79.9	-156.3	178.2	0	0	0	0	0	114.4	K5 K6	K5-G221 WeakPolarHBondContact CD-O 3.19Å; K5-G221 WeakPolarHBondContact CG-O 3.43Å; K5-G221 PolarHBondContact NZ-O 3.43Å; K6-G221 PolarHBondContact O-N 3.22Å
222	E	97.3	Very high	98.5	Very high	152 Å²	152	35.9 Å²	35.9	71%	0.71	18%	0.183	S	C	*	.	S	Bend	trans	-65.8	148.3	176.2	-68.1	-63.1	161.7	0	0	112.3	K5	K5-E222 WeakPolarHBondContact CA-O 3.4Å
223	G	96.7	Very high	98.4	Very high	9 Å²	9	40.5 Å²	40.5	9%	0.093	21%	0.214	C	C	.	.			trans	146	159.7	-178.5	0	0	0	0	0	112.8	S3 K5	S3-G223 CarbonylContact O-C 3.48Å; S3-G223 WeakPolarHBondContact O-CA 3.24Å; S3-G223 WeakPolarHBondContact OG-CA 3.38Å; K5-G223 WeakPolarHBondContact CE-O 3.35Å; K5-G223 PolarHBondContact NZ-O 2.89Å
224	D	96.3	Very high	98.4	Very high	74 Å²	74	40.9 Å²	40.9	40%	0.396	22%	0.215	S	C	.	.	S	Bend	trans	-97.1	-8.6	-178.7	59.5	3.6	0	0	0	113.4	G2 S3 P185 I186	G2-D224 WeakPolarHBondContact CA-OD1 3.42Å; G2-D224 WeakPolarHBondContact CA-OD2 3.38Å; S3-D224 PolarHBondContact N-OD1 2.83Å; S3-D224 PolarHBondContact O-N 3.08Å; S3-D224 VanDerWaalsContact O-N 3.15Å; P185-D224 WeakPolarHBondContact CA-O 3.33Å; I186-D224 PolarHBondContact N-O 3.19Å
225	N	98.1	Very high	98.4	Very high	27 Å²	27	44 Å²	44	14%	0.144	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.5	174.9	72.4	95.1	0	0	0	110.9	S4 K5 S183 Q184	S4-N225 WeakPolarHBondContact CA-O 3.24Å; K5-N225 WeakPolarHBondContact CG-O 3.43Å; K5-N225 PolarHBondContact N-O 3.22Å; S183-N225 PolarHBondContact OG-OD1 3.09Å; Q184-N225 CarbonylContact O-C 3.52Å; Q184-N225 WeakPolarHBondContact O-CA 3.39Å; Q184-N225 WeakPolarHBondContact O-CB 3.43Å
226	V	98.8	Very high	98.4	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.8	167.2	63	0	0	0	0	109.6	K5 S183 Q184 I186 I194 I203 L220 L240	K5-V226 HydrophobicContact CB-CB 4.29Å; K5-V226 HydrophobicContact CB-CG2 4.48Å; S183-V226 WeakPolarHBondContact CA-O 3.31Å; Q184-V226 HydrophobicContact CB-CG1 4.23Å; Q184-V226 PolarHBondContact N-O 3.03Å; Q184-V226 PolarHBondContact O-N 2.88Å; I186-V226 HydrophobicContact CD1-CB 4.13Å; I186-V226 HydrophobicContact CD1-CG1 3.66Å; I194-V226 HydrophobicContact CD1-CG2 4.32Å; I203-V226 HydrophobicContact CG2-CG2 3.76Å; L220-V226 HydrophobicContact CD1-CB 3.98Å; L220-V226 HydrophobicContact CD1-CG1 4.15Å; L220-V226 HydrophobicContact CD1-CG2 3.82Å; L220-V226 HydrophobicContact CD2-CG2 4.1Å; V226-L240 HydrophobicContact CG1-CD1 4.19Å; V226-L240 HydrophobicContact CG1-CD2 3.74Å
227	Q	98.9	Very high	98.4	Very high	29 Å²	29	41 Å²	41	14%	0.136	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.1	172.8	-174.2	-179.5	-88	0	0	110.5	K181 H182 I203 G204 D206	K181-Q227 HydrophobicContact CG-CG 4.4Å; H182-Q227 WeakPolarHBondContact O-CA 3.13Å; I203-Q227 WeakPolarHBondContact CA-O 3.31Å; G204-Q227 PolarHBondContact N-O 2.98Å; G204-Q227 WeakPolarHBondContact O-CB 3.42Å; G204-Q227 PolarHBondContact O-NE2 3.12Å; G204-Q227 VanDerWaalsContact O-NE2 3.1Å; D206-Q227 PolarHBondContact OD1-NE2 2.83Å; D206-Q227 PolarHBondContact OD1-OE1 3.41Å
228	V	98.9	Very high	98.4	Very high	3 Å²	3	41 Å²	41	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.4	176.8	-64.7	0	0	0	0	109.6	L176 K181 H182 I194 V201 Y202 I203 F238	L176-V228 HydrophobicContact CD1-CB 4.18Å; L176-V228 HydrophobicContact CD1-CG2 3.93Å; K181-V228 WeakPolarHBondContact CA-O 3.48Å; H182-V228 HydrophobicContact CB-CG2 3.81Å; H182-V228 PolarHBondContact N-O 2.79Å; H182-V228 PolarHBondContact O-N 2.94Å; I194-V228 HydrophobicContact CD1-CG1 3.76Å; V201-V228 HydrophobicContact CG2-CB 3.95Å; V201-V228 HydrophobicContact CG2-CG1 4.23Å; Y202-V228 CarbonylContact O-C 3.54Å; Y202-V228 WeakPolarHBondContact O-CA 3.33Å; I203-V228 HydrophobicContact CG1-CG1 4.27Å; V228-F238 HydrophobicContact CB-CZ 3.93Å; V228-F238 HydrophobicContact CG1-CE2 4.12Å; V228-F238 HydrophobicContact CG1-CZ 4Å; V228-F238 HydrophobicContact CG2-CZ 3.89Å
229	E	98.9	Very high	98.4	Very high	37 Å²	37	41 Å²	41	17%	0.173	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	139.4	179.8	-173.2	-179.8	163.8	0	0	110.3	A180 K181 Y202 Q209 K231	A180-E229 WeakPolarHBondContact O-CA 3.13Å; K181-E229 HydrophobicContact CB-CB 4.47Å; K181-E229 HydrophobicContact CB-CG 4.2Å; K181-E229 HydrophobicContact CD-CG 4.49Å; K181-E229 HydrophobicContact CG-CB 4.21Å; K181-E229 HydrophobicContact CG-CG 4.28Å; Y202-E229 PolarHBondContact N-O 3.35Å; Y202-E229 PolarHBondContact O-N 2.5Å; Q209-E229 PolarHBondContact NE2-OE2 2.89Å; E229-K231 HydrophobicContact CG-CG 4.08Å; E229-K231 VanDerWaalsContact OE1-CE 3.27Å; E229-K231 WeakPolarHBondContact OE1-CE 3.46Å; E229-K231 WeakPolarHBondContact OE2-CE 2.98Å
230	N	98.9	Very high	98.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.			trans	-102.4	112.7	169.4	-176.3	9.1	0	0	0	110.2	L176 D177 G179 A180 D232 Q234 S236	L176-N230 HydrophobicContact CB-CB 3.86Å; L176-N230 HydrophobicContact CD1-CB 4.41Å; L176-N230 PolarHBondContact O-ND2 3.09Å; D177-N230 WeakPolarHBondContact O-CB 3.38Å; D177-N230 PolarHBondContact O-ND2 2.81Å; G179-N230 VanDerWaalsContact CA-O 3.26Å; G179-N230 WeakPolarHBondContact CA-O 3.1Å; G179-N230 PolarHBondContact N-O 2.77Å; A180-N230 PolarHBondContact O-N 2.82Å; N230-D232 PolarHBondContact OD1-N 2.73Å; N230-D232 PolarHBondContact OD1-O 3.3Å; N230-D232 VanDerWaalsContact OD1-O 3.13Å; N230-Q234 PolarHBondContact ND2-O 3.02Å; N230-S236 PolarHBondContact ND2-N 3.39Å
231	K	98.8	Very high	98.4	Very high	93 Å²	93	39.8 Å²	39.8	40%	0.404	20%	0.201	S	C	.	.			trans	-100.9	-6.6	177.4	-56.2	-173.7	-179.7	-175.2	0	113.1	Y202 Q209 E229	Y202-K231 HydrophobicContact CD1-CD 4.05Å; Y202-K231 HydrophobicContact CD2-CB 3.93Å; Y202-K231 HydrophobicContact CD2-CD 3.9Å; Y202-K231 HydrophobicContact CD2-CG 3.72Å; Y202-K231 HydrophobicContact CE1-CD 4.05Å; Y202-K231 HydrophobicContact CE2-CB 3.63Å; Y202-K231 HydrophobicContact CE2-CD 3.94Å; Y202-K231 HydrophobicContact CE2-CG 3.88Å; Y202-K231 HydrophobicContact CG-CD 3.96Å; Y202-K231 HydrophobicContact CG-CG 4.17Å; Q209-K231 VanDerWaalsContact OE1-CE 3.26Å; E229-K231 HydrophobicContact CG-CG 4.08Å; E229-K231 VanDerWaalsContact OE1-CE 3.27Å; E229-K231 WeakPolarHBondContact OE1-CE 3.46Å; E229-K231 WeakPolarHBondContact OE2-CE 2.98Å
232	D	98.5	Very high	98.4	Very high	35 Å²	35	38.9 Å²	38.9	19%	0.187	19%	0.192	C	C	.	.	S	Bend	trans	-98.8	155.3	-175.2	-71.9	-67.9	0	0	0	110.2	D200 K211 N230 Q234	D200-D232 WeakPolarHBondContact CB-OD2 3.39Å; K211-D232 IonicContact NZ-OD1 2.86Å; K211-D232 PolarHBondContact NZ-OD1 2.86Å; K211-D232 IonicContact NZ-OD2 3.76Å; K211-D232 PolarHBondContact NZ-OD2 3.07Å; N230-D232 PolarHBondContact OD1-N 2.73Å; N230-D232 PolarHBondContact OD1-O 3.3Å; N230-D232 VanDerWaalsContact OD1-O 3.13Å; D232-Q234 VanDerWaalsContact C-N 3.29Å; D232-Q234 PolarHBondContact O-N 2.95Å
233	P	97.9	Very high	98.5	Very high	103 Å²	103	31.7 Å²	31.7	67%	0.669	16%	0.158	S	C	*	.	S	Bend	trans	-70.6	-24.3	-178.7	27.4	-34.8	0	0	0	113.2
234	Q	98.4	Very high	98.6	Very high	121 Å²	121	34.9 Å²	34.9	57%	0.565	17%	0.171	S	C	*	.	S	Bend	trans	-76.5	140.6	175.5	-173.4	174	5.9	0	0	110	N230 D232 S236	N230-Q234 PolarHBondContact ND2-O 3.02Å; D232-Q234 VanDerWaalsContact C-N 3.29Å; D232-Q234 PolarHBondContact O-N 2.95Å; Q234-S236 PolarHBondContact O-N 3.33Å
235	R	98.6	Very high	98.7	Very high	105 Å²	105	32.6 Å²	32.6	40%	0.396	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-60.3	131.2	173.8	-160.3	179.2	-163.9	-158.7	-8.3	110.2	T148 L176 D177	T148-R235 PolarHBondContact OG1-NH2 2.84Å; L176-R235 WeakPolarHBondContact O-CA 3.3Å; L176-R235 VanDerWaalsContact O-CG 3.25Å; L176-R235 WeakPolarHBondContact O-CG 3.41Å; D177-R235 IonicContact OD1-CZ 3.7Å; D177-R235 IonicContact OD1-NE 2.99Å; D177-R235 PolarHBondContact OD1-NE 3.49Å; D177-R235 IonicContact OD1-NH2 3.77Å
236	S	98.9	Very high	98.8	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	132.5	174.3	-166.8	0	0	0	0	109.8	K175 L176 D200 V201 N230 Q234 F238	K175-S236 CarbonylContact C-O 3.59Å; K175-S236 VanDerWaalsContact CA-O 3.24Å; K175-S236 WeakPolarHBondContact CA-O 3.37Å; L176-S236 PolarHBondContact N-O 3.24Å; L176-S236 PolarHBondContact O-N 2.87Å; D200-S236 WeakPolarHBondContact O-CB 3.48Å; D200-S236 PolarHBondContact O-OG 2.91Å; V201-S236 WeakPolarHBondContact CB-OG 3.48Å; N230-S236 PolarHBondContact ND2-N 3.39Å; Q234-S236 PolarHBondContact O-N 3.33Å; S236-F238 WeakPolarHBondContact OG-CD1 3.12Å
237	H	98.9	Very high	98.8	Very high	24 Å²	24	42.5 Å²	42.5	11%	0.111	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.8	178.4	-179.9	-154.3	0	0	0	109.5	D173 F174 K175 I197 S198	D173-H237 IonicContact OD1-CD2 3.78Å; D173-H237 PolarHBondContact OD1-CD2 3.25Å; D173-H237 IonicContact OD1-NE2 3.3Å; D173-H237 PolarHBondContact OD1-NE2 3.31Å; D173-H237 IonicContact OD2-NE2 2.73Å; F174-H237 WeakPolarHBondContact O-CA 3.16Å; F174-H237 PolarHBondContact O-CD2 2.91Å; K175-H237 WeakPolarHBondContact CE-NE2 3.35Å; K175-H237 HydrophobicContact CG-CB 4.34Å; K175-H237 PolarHBondContact NZ-CD2 2.57Å; K175-H237 PolarHBondContact NZ-NE2 3.22Å; I197-H237 WeakPolarHBondContact CA-O 3.36Å; I197-H237 WeakPolarHBondContact CB-O 3.29Å; I197-H237 PolarHBondContact N-O 3.36Å; S198-H237 PolarHBondContact N-O 3.01Å; S198-H237 VanDerWaalsContact N-O 3.11Å; S198-H237 PolarHBondContact O-N 2.88Å
238	F	98.9	Very high	98.8	Very high	1 Å²	1	44 Å²	44	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	161.2	-176.3	59.2	-92	0	0	0	110	F174 L176 I194 Y195 T196 V201 V228 S236	F174-F238 HydrophobicContact CB-CD1 4.46Å; F174-F238 HydrophobicContact CB-CD2 3.97Å; F174-F238 HydrophobicContact CB-CE1 4.06Å; F174-F238 HydrophobicContact CB-CE2 3.51Å; F174-F238 HydrophobicContact CB-CG 4.41Å; F174-F238 HydrophobicContact CB-CZ 3.55Å; F174-F238 HydrophobicContact CD2-CD2 4.42Å; F174-F238 AromaticContact CD2-CE2 3.79Å; F174-F238 HydrophobicContact CD2-CE2 3.79Å; F174-F238 HydrophobicContact CD2-CZ 4.43Å; F174-F238 AromaticContact CG-CE2 3.8Å; F174-F238 HydrophobicContact CG-CE2 3.8Å; F174-F238 HydrophobicContact CG-CZ 4Å; F174-F238 PolarHBondContact N-O 2.97Å; F174-F238 PolarHBondContact O-N 3.1Å; F174-F238 VanDerWaalsContact O-N 3.08Å; L176-F238 HydrophobicContact CD1-CE1 3.64Å; L176-F238 HydrophobicContact CD1-CZ 3.82Å; L176-F238 HydrophobicContact CG-CE1 3.79Å; L176-F238 HydrophobicContact CG-CZ 4.08Å; I194-F238 HydrophobicContact CD1-CE2 4.43Å; I194-F238 HydrophobicContact CG2-CB 3.93Å; I194-F238 HydrophobicContact CG2-CD2 3.65Å; I194-F238 HydrophobicContact CG2-CE2 4.48Å; I194-F238 HydrophobicContact CG2-CG 4.01Å; Y195-F238 CarbonylContact O-C 3.57Å; Y195-F238 WeakPolarHBondContact O-CA 3.34Å; Y195-F238 WeakPolarHBondContact O-CB 3.5Å; T196-F238 HydrophobicContact CG2-CB 4.29Å; V201-F238 HydrophobicContact CB-CD1 4.11Å; V201-F238 HydrophobicContact CB-CE1 4.1Å; V201-F238 HydrophobicContact CG1-CD1 4.33Å; V201-F238 HydrophobicContact CG2-CD1 4.12Å; V201-F238 HydrophobicContact CG2-CE1 3.65Å; V201-F238 HydrophobicContact CG2-CZ 4.07Å; V228-F238 HydrophobicContact CB-CZ 3.93Å; V228-F238 HydrophobicContact CG1-CE2 4.12Å; V228-F238 HydrophobicContact CG1-CZ 4Å; V228-F238 HydrophobicContact CG2-CZ 3.89Å; S236-F238 WeakPolarHBondContact OG-CD1 3.12Å
239	V	99	Very high	98.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.5	170.3	-64.8	0	0	0	0	110.4	F42 L114 Y171 L172 D173 I194 Y195 I197 I241	F42-V239 HydrophobicContact CZ-CG2 3.93Å; L114-V239 HydrophobicContact CD1-CG1 3.7Å; L114-V239 HydrophobicContact CD1-CG2 4.2Å; Y171-V239 HydrophobicContact CD1-CB 4.42Å; Y171-V239 HydrophobicContact CE1-CB 3.77Å; Y171-V239 HydrophobicContact CE1-CG1 3.72Å; Y171-V239 HydrophobicContact CE1-CG2 4.24Å; L172-V239 CarbonylContact O-C 3.59Å; L172-V239 WeakPolarHBondContact O-CA 3.31Å; D173-V239 HydrophobicContact CB-CG1 4.04Å; I194-V239 CarbonylContact C-O 3.55Å; I194-V239 VanDerWaalsContact CA-O 3.25Å; I194-V239 WeakPolarHBondContact CA-O 3.12Å; Y195-V239 PolarHBondContact N-O 3.16Å; Y195-V239 PolarHBondContact O-N 2.84Å; I197-V239 HydrophobicContact CD1-CG1 4.19Å; V239-I241 HydrophobicContact CG2-CD1 3.95Å; V239-I241 HydrophobicContact CG2-CG1 4.4Å
240	L	98.9	Very high	98.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122.5	167.3	170.3	63.6	0	0	0	108.2	L172 F174 Q184 I186 I194 L220 V226	L172-L240 HydrophobicContact CB-CB 4.49Å; L172-L240 HydrophobicContact CD1-CD2 4.42Å; L172-L240 PolarHBondContact N-O 2.95Å; L172-L240 PolarHBondContact O-N 2.92Å; F174-L240 HydrophobicContact CD2-CB 4.15Å; F174-L240 HydrophobicContact CE2-CB 4.01Å; F174-L240 HydrophobicContact CE2-CD2 4.18Å; Q184-L240 HydrophobicContact CB-CD2 3.82Å; Q184-L240 HydrophobicContact CG-CD2 3.54Å; I186-L240 HydrophobicContact CD1-CD1 4.07Å; I186-L240 HydrophobicContact CD1-CD2 4.32Å; I194-L240 HydrophobicContact CD1-CD1 4.28Å; I194-L240 HydrophobicContact CG1-CB 4.15Å; I194-L240 HydrophobicContact CG1-CD1 3.63Å; I194-L240 HydrophobicContact CG1-CG 4.46Å; L220-L240 HydrophobicContact CD1-CD1 3.88Å; V226-L240 HydrophobicContact CG1-CD1 4.19Å; V226-L240 HydrophobicContact CG1-CD2 3.74Å
241	I	98.9	Very high	98.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	132.1	-178.9	-63.4	164	0	0	0	108.5	F39 F42 L116 L170 Y171 S192 F193 V239	F39-I241 HydrophobicContact CD1-CG2 4.33Å; F39-I241 HydrophobicContact CE1-CG2 3.66Å; F39-I241 HydrophobicContact CE2-CG2 3.99Å; F39-I241 HydrophobicContact CZ-CG2 3.45Å; F39-I241 VanDerWaalsContact CZ-CG2 3.45Å; F42-I241 HydrophobicContact CD2-CD1 4.08Å; F42-I241 HydrophobicContact CE2-CD1 3.59Å; F42-I241 HydrophobicContact CZ-CD1 4.13Å; L116-I241 HydrophobicContact CD2-CD1 4.3Å; L116-I241 HydrophobicContact CD2-CG2 3.96Å; L170-I241 CarbonylContact O-C 3.58Å; L170-I241 VanDerWaalsContact O-CA 3.3Å; L170-I241 WeakPolarHBondContact O-CA 3.4Å; Y171-I241 HydrophobicContact CD1-CD1 4.06Å; Y171-I241 HydrophobicContact CD1-CG1 3.56Å; Y171-I241 HydrophobicContact CD2-CD1 4.47Å; Y171-I241 HydrophobicContact CD2-CG1 4.36Å; Y171-I241 HydrophobicContact CE1-CD1 3.76Å; Y171-I241 HydrophobicContact CE1-CG1 3.78Å; Y171-I241 HydrophobicContact CE2-CD1 4.17Å; Y171-I241 HydrophobicContact CG-CD1 4.43Å; Y171-I241 HydrophobicContact CG-CG1 3.9Å; S192-I241 CarbonylContact C-O 3.5Å; S192-I241 VanDerWaalsContact CA-O 3.28Å; S192-I241 WeakPolarHBondContact CA-O 3.47Å; F193-I241 HydrophobicContact CD1-CB 4.21Å; F193-I241 HydrophobicContact CD1-CG2 4.39Å; F193-I241 HydrophobicContact CE1-CB 3.64Å; F193-I241 HydrophobicContact CE1-CD1 4.38Å; F193-I241 HydrophobicContact CE1-CG2 3.55Å; F193-I241 HydrophobicContact CE2-CB 4.18Å; F193-I241 HydrophobicContact CE2-CD1 3.82Å; F193-I241 HydrophobicContact CE2-CG1 4.49Å; F193-I241 HydrophobicContact CZ-CB 3.63Å; F193-I241 HydrophobicContact CZ-CD1 3.51Å; F193-I241 HydrophobicContact CZ-CG1 4.15Å; F193-I241 HydrophobicContact CZ-CG2 3.8Å; F193-I241 PolarHBondContact N-O 2.68Å; F193-I241 PolarHBondContact O-N 3.18Å; V239-I241 HydrophobicContact CG2-CD1 3.95Å; V239-I241 HydrophobicContact CG2-CG1 4.4Å
242	A	98.9	Very high	98.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	148.6	174.6	0	0	0	0	0	111.3	T169 L170 I186 W190 T191	T169-A242 CarbonylContact C-O 3.55Å; T169-A242 WeakPolarHBondContact CA-O 3.44Å; L170-A242 HydrophobicContact CB-CB 4.27Å; L170-A242 HydrophobicContact CD2-CB 4.45Å; L170-A242 PolarHBondContact N-O 2.92Å; L170-A242 PolarHBondContact O-N 3.06Å; I186-A242 HydrophobicContact CG2-CB 3.84Å; W190-A242 HydrophobicContact CE3-CB 4.06Å; T191-A242 CarbonylContact O-C 3.59Å; T191-A242 WeakPolarHBondContact O-CA 3.14Å; T191-A242 WeakPolarHBondContact O-CB 3.1Å
243	G	98.9	Very high	98.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	155.4	-177.1	0	0	0	0	0	113.6	P168 W190 T191 P245	P168-G243 CarbonylContact O-C 3.49Å; P168-G243 WeakPolarHBondContact O-CA 3.15Å; W190-G243 WeakPolarHBondContact CA-O 3.2Å; W190-G243 WeakPolarHBondContact CB-O 3.42Å; T191-G243 PolarHBondContact N-O 2.98Å; T191-G243 PolarHBondContact O-N 3.25Å; G243-P245 WeakPolarHBondContact O-CD 3.48Å
244	E	98.8	Very high	98.6	Very high	77 Å²	77	50.6 Å²	50.6	36%	0.36	25%	0.251	S	S	.	.			trans	-70.6	118.7	176.6	-175.7	172.2	-115.2	0	0	110.3	P38 P168 W190 L246	P38-E244 WeakPolarHBondContact CG-O 3.33Å; P168-E244 HydrophobicContact CB-CB 4.03Å; P168-E244 HydrophobicContact CG-CB 4.21Å; P168-E244 PolarHBondContact O-N 2.87Å; W190-E244 HydrophobicContact CZ2-CB 4.35Å; E244-L246 PolarHBondContact O-N 2.86Å
245	P	98.8	Very high	98.6	Very high	25 Å²	25	46.7 Å²	46.7	16%	0.162	24%	0.236	C	C	.	.			trans	-64.5	133.7	176.2	-19.1	32.1	0	0	0	110.4	D37 G189 G243 R247	D37-P245 HydrophobicContact CB-CB 4.4Å; D37-P245 WeakPolarHBondContact OD2-CB 3.37Å; G189-P245 WeakPolarHBondContact O-CD 3.22Å; G243-P245 WeakPolarHBondContact O-CD 3.48Å; P245-R247 HydrophobicContact CB-CG 4.34Å
246	L	98.8	Very high	98.6	Very high	23 Å²	23	42.1 Å²	42.1	12%	0.12	22%	0.219	C	C	.	.			trans	-74.4	-30	-179.8	-61.5	-179.6	0	0	0	111.9	D37 P38 N119 L120 R121 T167 E244 E248	D37-L246 VanDerWaalsContact CG-N 3.34Å; D37-L246 PolarHBondContact OD1-N 2.9Å; D37-L246 PolarHBondContact OD2-N 3Å; D37-L246 VanDerWaalsContact OD2-N 3.14Å; P38-L246 HydrophobicContact CB-CG 4.24Å; N119-L246 HydrophobicContact CB-CD1 3.73Å; L120-L246 VanDerWaalsContact C-CD1 3.45Å; R121-L246 HydrophobicContact CB-CD2 4.11Å; T167-L246 HydrophobicContact CG2-CD2 3.83Å; T167-L246 HydrophobicContact CG2-CG 4.38Å; E244-L246 PolarHBondContact O-N 2.86Å; L246-E248 HydrophobicContact CB-CB 4.46Å; L246-E248 HydrophobicContact CB-CG 4.44Å; L246-E248 PolarHBondContact O-N 3.36Å
247	R	98.7	Very high	98.6	Very high	213 Å²	213	42 Å²	42	80%	0.804	22%	0.219	S	C	*	.			trans	55.8	33	-175.3	-55.5	176.4	175.8	-115.3	-3.8	112.9	D37 P245	D37-R247 PolarHBondContact OD2-N 3.07Å; P245-R247 HydrophobicContact CB-CG 4.34Å
248	E	98.8	Very high	98.6	Very high	62 Å²	62	41.1 Å²	41.1	29%	0.29	22%	0.215	S	C	.	.	S	Bend	trans	-110.7	157.1	174.5	-67	-178.8	168.9	0	0	110.4	R121 S122 L246 N259	R121-E248 WeakPolarHBondContact CA-OE2 3.15Å; S122-E248 PolarHBondContact N-OE1 3.04Å; S122-E248 PolarHBondContact N-OE2 2.84Å; L246-E248 HydrophobicContact CB-CB 4.46Å; L246-E248 HydrophobicContact CB-CG 4.44Å; L246-E248 PolarHBondContact O-N 3.36Å; E248-N259 PolarHBondContact OE2-ND2 2.99Å
249	P	98.6	Very high	98.6	Very high	88 Å²	88	41.8 Å²	41.8	57%	0.571	22%	0.218	S	C	*	.			trans	-57.6	140.8	172.1	-24.1	34.9	0	0	0	111.9	N259	P249-N259 WeakPolarHBondContact CB-O 3.49Å; P249-N259 PolarHBondContact O-ND2 3.31Å
250	V	98.8	Very high	98.6	Very high	46 Å²	46	44.2 Å²	44.2	28%	0.279	23%	0.233	S	C	.	.			trans	-118	109	175.6	-177.5	0	0	0	0	108.4	L40 V257	L40-V250 HydrophobicContact CD2-CG1 3.7Å; V250-V257 HydrophobicContact CG1-CG1 3.78Å
251	V	98.6	Very high	98.6	Very high	35 Å²	35	49.2 Å²	49.2	21%	0.212	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	114.7	172.7	-170.4	0	0	0	0	107.7	V257 M258 N259 I264	V251-V257 WeakPolarHBondContact O-CA 3.48Å; V251-M258 PolarHBondContact N-O 3.16Å; V251-M258 PolarHBondContact O-N 2.85Å; V251-N259 WeakPolarHBondContact CG2-O 3.36Å; V251-I264 HydrophobicContact CB-CG1 4.15Å; V251-I264 HydrophobicContact CG1-CG1 3.77Å; V251-I264 WeakPolarHBondContact O-CD1 3.46Å
252	Q	98.6	Very high	98.6	Very high	82 Å²	82	55.3 Å²	55.3	38%	0.383	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.1	-177.3	175.9	170.4	13.3	0	0	110.9	G254 F256 V257	Q252-G254 PolarHBondContact NE2-O 2.85Å; Q252-F256 WeakPolarHBondContact CA-O 3.22Å; Q252-V257 HydrophobicContact CB-CG2 4.06Å; Q252-V257 HydrophobicContact CG-CG2 3.82Å
253	H	98.1	Very high	98.6	Very high	110 Å²	110	57.6 Å²	57.6	51%	0.509	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	90.4	168.9	-171	87.6	0	0	0	109.3	P255 F256 I264	H253-P255 WeakPolarHBondContact O-CD 3.31Å; H253-P255 VanDerWaalsContact O-N 3.16Å; H253-F256 PolarHBondContact N-O 2.73Å; H253-F256 PolarHBondContact O-N 2.78Å; H253-I264 HydrophobicContact CB-CD1 4.25Å; H253-I264 HydrophobicContact CB-CG2 3.68Å
254	G	96.6	Very high	98.6	Very high	47 Å²	47	58.1 Å²	58.1	49%	0.485	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	-115.6	-175.8	0	0	0	0	0	111.7	Q252 F256	Q252-G254 PolarHBondContact NE2-O 2.85Å; G254-F256 VanDerWaalsContact C-N 3.26Å; G254-F256 PolarHBondContact O-N 3.31Å
255	P	98.1	Very high	98.6	Very high	39 Å²	39	57.6 Å²	57.6	25%	0.253	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	0.7	-177.7	31.2	-35.1	0	0	0	115.4	P57 H58 R59 F61 H253	P57-P255 HydrophobicContact CG-CB 4.12Å; P57-P255 HydrophobicContact CG-CG 3.85Å; P57-P255 WeakPolarHBondContact O-CB 3.45Å; H58-P255 WeakPolarHBondContact CA-O 3.41Å; R59-P255 PolarHBondContact N-O 3.49Å; F61-P255 WeakPolarHBondContact CE1-O 3.36Å; H253-P255 WeakPolarHBondContact O-CD 3.31Å; H253-P255 VanDerWaalsContact O-N 3.16Å
256	F	98.8	Very high	98.6	Very high	9 Å²	9	61.9 Å²	61.9	4%	0.039	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.2	-178.1	-51.7	-43.2	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 4.38Å; P57-F256 HydrophobicContact CG-CE1 4.04Å; P57-F256 HydrophobicContact CG-CZ 4.01Å; R59-F256 HydrophobicContact CB-CD1 3.81Å; R59-F256 HydrophobicContact CB-CE1 4.4Å; Q252-F256 WeakPolarHBondContact CA-O 3.22Å; H253-F256 PolarHBondContact N-O 2.73Å; H253-F256 PolarHBondContact O-N 2.78Å; G254-F256 VanDerWaalsContact C-N 3.26Å; G254-F256 PolarHBondContact O-N 3.31Å; F256-I264 HydrophobicContact CB-CD1 3.89Å; F256-I264 WeakPolarHBondContact O-CD1 3.27Å; F256-A267 HydrophobicContact CB-CB 4.12Å; F256-A267 HydrophobicContact CD1-CB 4.37Å; F256-A267 HydrophobicContact CD2-CB 4.07Å; F256-A267 HydrophobicContact CG-CB 3.92Å; F256-I268 HydrophobicContact CD2-CG1 3.95Å; F256-I268 HydrophobicContact CE2-CG1 4.03Å; F256-F271 HydrophobicContact CE2-CB 4.49Å; F256-F271 HydrophobicContact CZ-CB 3.78Å; F256-F271 HydrophobicContact CZ-CD1 4.25Å; F256-F271 HydrophobicContact CZ-CG 4.03Å; F256-F278 HydrophobicContact CE1-CE2 4.24Å; F256-F278 AromaticContact CE1-CZ 3.92Å; F256-F278 HydrophobicContact CE1-CZ 3.92Å
257	V	98.8	Very high	98.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	105.5	177.4	-174.3	0	0	0	0	110	L40 R59 F61 K125 V250 V251 Q252	L40-V257 HydrophobicContact CD1-CB 4.11Å; L40-V257 HydrophobicContact CD1-CG1 3.85Å; L40-V257 HydrophobicContact CD1-CG2 4.06Å; L40-V257 HydrophobicContact CD2-CG1 3.93Å; R59-V257 PolarHBondContact O-N 2.73Å; R59-V257 VanDerWaalsContact O-N 3.16Å; F61-V257 HydrophobicContact CD1-CB 3.72Å; F61-V257 HydrophobicContact CD1-CG2 3.79Å; F61-V257 HydrophobicContact CE1-CB 4.15Å; F61-V257 HydrophobicContact CE1-CG2 3.78Å; K125-V257 PolarHBondContact NZ-O 2.95Å; V250-V257 HydrophobicContact CG1-CG1 3.78Å; V251-V257 WeakPolarHBondContact O-CA 3.48Å; Q252-V257 HydrophobicContact CB-CG2 4.06Å; Q252-V257 HydrophobicContact CG-CG2 3.82Å
258	M	98.8	Very high	98.6	Very high	5 Å²	5	53.3 Å²	53.3	3%	0.025	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-177.2	-176.5	-54.3	-57	-66.4	0	0	110.8	R59 K125 M126 V251 E263 I264	R59-M258 HydrophobicContact CG-SD 3.95Å; K125-M258 HydrophobicContact CB-CE 4.08Å; K125-M258 HydrophobicContact CD-CE 4.06Å; K125-M258 HydrophobicContact CD-SD 4.2Å; M126-M258 HydrophobicContact SD-CE 4.12Å; V251-M258 PolarHBondContact N-O 3.16Å; V251-M258 PolarHBondContact O-N 2.85Å; M258-E263 HydrophobicContact CB-CB 3.58Å; M258-E263 HydrophobicContact CE-CB 4Å; M258-E263 HydrophobicContact CE-CG 4.29Å; M258-E263 HydrophobicContact CG-CB 3.9Å; M258-I264 HydrophobicContact CB-CD1 3.96Å; M258-I264 HydrophobicContact CB-CG1 4.08Å; M258-I264 HydrophobicContact CG-CD1 3.77Å; M258-I264 HydrophobicContact CG-CG1 4.28Å
259	N	98.8	Very high	98.6	Very high	14 Å²	14	54 Å²	54	8%	0.075	30%	0.299	C	S	.	.	S	Bend	trans	-94.9	-22.5	179.9	-59	109.3	0	0	0	112.5	S122 K125 E248 P249 V251 E263	S122-N259 VanDerWaalsContact CA-OD1 3.26Å; S122-N259 WeakPolarHBondContact CA-OD1 3.19Å; S122-N259 WeakPolarHBondContact CB-OD1 3.38Å; S122-N259 PolarHBondContact OG-OD1 2.96Å; K125-N259 VanDerWaalsContact CD-OD1 3.31Å; K125-N259 WeakPolarHBondContact CD-OD1 3.2Å; K125-N259 VanDerWaalsContact CE-OD1 3.22Å; K125-N259 WeakPolarHBondContact CE-OD1 3.46Å; E248-N259 PolarHBondContact OE2-ND2 2.99Å; P249-N259 WeakPolarHBondContact CB-O 3.49Å; P249-N259 PolarHBondContact O-ND2 3.31Å; V251-N259 WeakPolarHBondContact CG2-O 3.36Å; N259-E263 WeakPolarHBondContact CA-OE2 3.21Å; N259-E263 WeakPolarHBondContact CB-OE2 3.31Å; N259-E263 PolarHBondContact N-OE2 2.89Å
260	T	98.8	Very high	98.6	Very high	52 Å²	52	50.7 Å²	50.7	32%	0.319	28%	0.277	S	S	.	.	S	Bend	trans	-131.6	162	-175.9	66.9	0	0	0	0	113.1	E262 E263 I264	T260-E262 VanDerWaalsContact C-N 3.3Å; T260-E262 WeakPolarHBondContact CB-OE2 3.44Å; T260-E263 PolarHBondContact N-OE2 3.42Å; T260-E263 WeakPolarHBondContact OG1-CB 3.42Å; T260-E263 VanDerWaalsContact OG1-CD 3.23Å; T260-E263 WeakPolarHBondContact OG1-CG 3.28Å; T260-E263 PolarHBondContact OG1-N 3.35Å; T260-E263 VanDerWaalsContact OG1-N 3.15Å; T260-E263 PolarHBondContact OG1-OE2 3.25Å; T260-E263 VanDerWaalsContact OG1-OE2 3.06Å; T260-I264 PolarHBondContact O-N 2.95Å
261	N	98.6	Very high	98.6	Very high	107 Å²	107	51.8 Å²	51.8	57%	0.572	28%	0.278	S	S	*	.	H	α-helix	trans	-70.1	-31.5	175.9	-71.6	-51.1	0	0	0	111.6	I264 S265	N261-I264 PolarHBondContact O-N 3.19Å; N261-S265 PolarHBondContact O-N 2.81Å; N261-S265 PolarHBondContact O-OG 2.91Å
262	E	98.8	Very high	98.5	Very high	127 Å²	127	58.5 Å²	58.5	59%	0.593	30%	0.299	S	S	*	.	H	α-helix	trans	-62	-50.5	175.3	-66.7	69.4	-155.3	0	0	110.2	T260 I264 S265 E266	T260-E262 VanDerWaalsContact C-N 3.3Å; T260-E262 WeakPolarHBondContact CB-OE2 3.44Å; E262-I264 VanDerWaalsContact C-N 3.3Å; E262-I264 PolarHBondContact O-N 2.91Å; E262-S265 WeakPolarHBondContact O-CA 3.43Å; E262-S265 WeakPolarHBondContact O-CB 3.21Å; E262-S265 PolarHBondContact O-N 2.9Å; E262-E266 WeakPolarHBondContact O-CG 3.2Å; E262-E266 PolarHBondContact O-N 3.19Å
263	E	98.8	Very high	98.5	Very high	48 Å²	48	58.7 Å²	58.7	22%	0.224	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-36	176.3	-72.8	164.3	158.5	0	0	112.6	M258 N259 T260 E266 A267	M258-E263 HydrophobicContact CB-CB 3.58Å; M258-E263 HydrophobicContact CE-CB 4Å; M258-E263 HydrophobicContact CE-CG 4.29Å; M258-E263 HydrophobicContact CG-CB 3.9Å; N259-E263 WeakPolarHBondContact CA-OE2 3.21Å; N259-E263 WeakPolarHBondContact CB-OE2 3.31Å; N259-E263 PolarHBondContact N-OE2 2.89Å; T260-E263 PolarHBondContact N-OE2 3.42Å; T260-E263 WeakPolarHBondContact OG1-CB 3.42Å; T260-E263 VanDerWaalsContact OG1-CD 3.23Å; T260-E263 WeakPolarHBondContact OG1-CG 3.28Å; T260-E263 PolarHBondContact OG1-N 3.35Å; T260-E263 VanDerWaalsContact OG1-N 3.15Å; T260-E263 PolarHBondContact OG1-OE2 3.25Å; T260-E263 VanDerWaalsContact OG1-OE2 3.06Å; E263-E266 PolarHBondContact O-N 3.49Å; E263-A267 WeakPolarHBondContact O-CB 3.47Å; E263-A267 PolarHBondContact O-N 3.06Å
264	I	98.8	Very high	98.5	Very high	11 Å²	11	54.2 Å²	54.2	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-65.1	-43.5	172.9	-73.2	-65.8	0	0	0	111.2	V251 H253 F256 M258 T260 N261 E262 E266 A267 I268	V251-I264 HydrophobicContact CB-CG1 4.15Å; V251-I264 HydrophobicContact CG1-CG1 3.77Å; V251-I264 WeakPolarHBondContact O-CD1 3.46Å; H253-I264 HydrophobicContact CB-CD1 4.25Å; H253-I264 HydrophobicContact CB-CG2 3.68Å; F256-I264 HydrophobicContact CB-CD1 3.89Å; F256-I264 WeakPolarHBondContact O-CD1 3.27Å; M258-I264 HydrophobicContact CB-CD1 3.96Å; M258-I264 HydrophobicContact CB-CG1 4.08Å; M258-I264 HydrophobicContact CG-CD1 3.77Å; M258-I264 HydrophobicContact CG-CG1 4.28Å; T260-I264 PolarHBondContact O-N 2.95Å; N261-I264 PolarHBondContact O-N 3.19Å; E262-I264 VanDerWaalsContact C-N 3.3Å; E262-I264 PolarHBondContact O-N 2.91Å; I264-E266 VanDerWaalsContact C-N 3.29Å; I264-E266 PolarHBondContact O-N 2.93Å; I264-A267 PolarHBondContact O-N 2.84Å; I264-I268 HydrophobicContact CG2-CD1 3.98Å; I264-I268 WeakPolarHBondContact O-CG1 3.19Å; I264-I268 PolarHBondContact O-N 3.08Å
265	S	98.6	Very high	98.6	Very high	66 Å²	66	57.6 Å²	57.6	46%	0.462	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-41.1	176.9	-58.5	0	0	0	0	110.9	N261 E262 L269	N261-S265 PolarHBondContact O-N 2.81Å; N261-S265 PolarHBondContact O-OG 2.91Å; E262-S265 WeakPolarHBondContact O-CA 3.43Å; E262-S265 WeakPolarHBondContact O-CB 3.21Å; E262-S265 PolarHBondContact O-N 2.9Å; S265-L269 VanDerWaalsContact O-CG 3.27Å; S265-L269 WeakPolarHBondContact O-CG 3.14Å; S265-L269 PolarHBondContact O-N 2.86Å; S265-L269 VanDerWaalsContact O-N 3.08Å
266	E	98.8	Very high	98.6	Very high	115 Å²	115	60 Å²	60	54%	0.537	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-44.8	173.8	-71.3	178.3	177.8	0	0	112.4	E262 E263 I264 I268 L269 D270	E262-E266 WeakPolarHBondContact O-CG 3.2Å; E262-E266 PolarHBondContact O-N 3.19Å; E263-E266 PolarHBondContact O-N 3.49Å; I264-E266 VanDerWaalsContact C-N 3.29Å; I264-E266 PolarHBondContact O-N 2.93Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 PolarHBondContact O-N 2.77Å; E266-L269 PolarHBondContact O-N 2.81Å; E266-L269 VanDerWaalsContact O-N 3.12Å; E266-D270 WeakPolarHBondContact O-CB 3.38Å; E266-D270 PolarHBondContact O-N 3.47Å
267	A	98.8	Very high	98.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.1	-42.7	177.2	0	0	0	0	0	112.8	F256 E263 I264 D270 F271	F256-A267 HydrophobicContact CB-CB 4.12Å; F256-A267 HydrophobicContact CD1-CB 4.37Å; F256-A267 HydrophobicContact CD2-CB 4.07Å; F256-A267 HydrophobicContact CG-CB 3.92Å; E263-A267 WeakPolarHBondContact O-CB 3.47Å; E263-A267 PolarHBondContact O-N 3.06Å; I264-A267 PolarHBondContact O-N 2.84Å; A267-D270 PolarHBondContact O-N 2.79Å; A267-F271 PolarHBondContact O-N 3.28Å
268	I	98.8	Very high	98.6	Very high	57 Å²	57	59.6 Å²	59.6	29%	0.292	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-44.3	175.4	-66.1	165.4	0	0	0	110.7	F256 I264 E266 R272	F256-I268 HydrophobicContact CD2-CG1 3.95Å; F256-I268 HydrophobicContact CE2-CG1 4.03Å; I264-I268 HydrophobicContact CG2-CD1 3.98Å; I264-I268 WeakPolarHBondContact O-CG1 3.19Å; I264-I268 PolarHBondContact O-N 3.08Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 PolarHBondContact O-N 2.77Å; I268-R272 VanDerWaalsContact O-CB 3.25Å; I268-R272 WeakPolarHBondContact O-CB 3.39Å; I268-R272 PolarHBondContact O-N 2.86Å
269	L	98.7	Very high	98.5	Very high	76 Å²	76	64 Å²	64	40%	0.398	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-41.5	178.2	-74.4	173.4	0	0	0	112.3	S265 E266 N273	S265-L269 VanDerWaalsContact O-CG 3.27Å; S265-L269 WeakPolarHBondContact O-CG 3.14Å; S265-L269 PolarHBondContact O-N 2.86Å; S265-L269 VanDerWaalsContact O-N 3.08Å; E266-L269 PolarHBondContact O-N 2.81Å; E266-L269 VanDerWaalsContact O-N 3.12Å; L269-N273 VanDerWaalsContact O-CB 3.27Å; L269-N273 WeakPolarHBondContact O-CB 3.49Å; L269-N273 VanDerWaalsContact O-CG 3.28Å; L269-N273 PolarHBondContact O-N 3.36Å; L269-N273 PolarHBondContact O-ND2 3.15Å
270	D	98.8	Very high	98.4	Very high	18 Å²	18	64.8 Å²	64.8	10%	0.096	33%	0.329	C	S	.	.	H	α-helix	trans	-65.5	-47.5	180	-80.2	-16.6	0	0	0	111.6	R59 E266 A267 N273 A274 K275 N276 F278	R59-D270 IonicContact CZ-OD2 2.91Å; R59-D270 IonicContact NH1-OD2 3.66Å; R59-D270 PolarHBondContact NH1-OD2 3.1Å; R59-D270 IonicContact NH2-OD2 3.98Å; R59-D270 PolarHBondContact NH2-OD2 2.64Å; E266-D270 WeakPolarHBondContact O-CB 3.38Å; E266-D270 PolarHBondContact O-N 3.47Å; A267-D270 PolarHBondContact O-N 2.79Å; D270-N273 PolarHBondContact O-N 3.12Å; D270-A274 CarbonylContact O-C 3.6Å; D270-A274 WeakPolarHBondContact O-CA 3.48Å; D270-A274 PolarHBondContact O-N 3.06Å; D270-K275 WeakPolarHBondContact CB-O 3.39Å; D270-K275 PolarHBondContact O-N 3.24Å; D270-N276 PolarHBondContact OD1-ND2 2.88Å; D270-N276 WeakPolarHBondContact OD2-CB 3.35Å; D270-F278 HydrophobicContact CB-CD2 4.19Å
271	F	98.6	Very high	98.3	Very high	70 Å²	70	63.3 Å²	63.3	31%	0.307	32%	0.321	S	S	.	.	H	α-helix	trans	-62.8	-48.4	176.5	179.1	-113.3	0	0	0	111.3	P57 L100 F256 A267 N273 A274 F278 A281	P57-F271 HydrophobicContact CB-CD2 3.89Å; P57-F271 HydrophobicContact CB-CE2 3.69Å; P57-F271 HydrophobicContact CB-CZ 4.15Å; P57-F271 HydrophobicContact CG-CD1 4.39Å; P57-F271 HydrophobicContact CG-CD2 4.2Å; P57-F271 HydrophobicContact CG-CE1 4.09Å; P57-F271 HydrophobicContact CG-CE2 3.89Å; P57-F271 HydrophobicContact CG-CG 4.44Å; P57-F271 HydrophobicContact CG-CZ 3.83Å; L100-F271 HydrophobicContact CD1-CE2 4.25Å; L100-F271 HydrophobicContact CD2-CE2 4.45Å; F256-F271 HydrophobicContact CE2-CB 4.49Å; F256-F271 HydrophobicContact CZ-CB 3.78Å; F256-F271 HydrophobicContact CZ-CD1 4.25Å; F256-F271 HydrophobicContact CZ-CG 4.03Å; A267-F271 PolarHBondContact O-N 3.28Å; F271-N273 PolarHBondContact O-N 3.44Å; F271-A274 PolarHBondContact O-N 3.44Å; F271-F278 HydrophobicContact CB-CD2 3.88Å; F271-F278 HydrophobicContact CB-CE2 4.09Å; F271-F278 HydrophobicContact CB-CG 4.24Å; F271-F278 HydrophobicContact CD2-CB 4.35Å; F271-F278 AromaticContact CD2-CD1 3.83Å; F271-F278 HydrophobicContact CD2-CD1 3.83Å; F271-F278 HydrophobicContact CD2-CD2 4.37Å; F271-F278 HydrophobicContact CD2-CE1 4.16Å; F271-F278 AromaticContact CD2-CG 3.94Å; F271-F278 HydrophobicContact CD2-CG 3.94Å; F271-A281 HydrophobicContact CD2-CB 4.39Å; F271-A281 HydrophobicContact CE2-CB 4.13Å
272	R	98.2	Very high	98.1	Very high	175 Å²	175	66.4 Å²	66.4	66%	0.66	33%	0.33	S	S	*	.	H	α-helix	trans	-59.9	-33.9	-179.7	-174.5	174.1	70.2	-171.6	3.3	113	I268	I268-R272 VanDerWaalsContact O-CB 3.25Å; I268-R272 WeakPolarHBondContact O-CB 3.39Å; I268-R272 PolarHBondContact O-N 2.86Å
273	N	98.4	Very high	98	Very high	86 Å²	86	66.3 Å²	66.3	46%	0.46	34%	0.338	S	S	.	.	H	α-helix	trans	-100.7	2.7	-177.5	-62.6	-46.6	0	0	0	113.7	L269 D270 F271 K275	L269-N273 VanDerWaalsContact O-CB 3.27Å; L269-N273 WeakPolarHBondContact O-CB 3.49Å; L269-N273 VanDerWaalsContact O-CG 3.28Å; L269-N273 PolarHBondContact O-N 3.36Å; L269-N273 PolarHBondContact O-ND2 3.15Å; D270-N273 PolarHBondContact O-N 3.12Å; F271-N273 PolarHBondContact O-N 3.44Å; N273-K275 HydrophobicContact CB-CD 4.31Å; N273-K275 HydrophobicContact CB-CG 4.19Å
274	A	98.3	Very high	98	Very high	17 Å²	17	66.2 Å²	66.2	14%	0.14	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	59.4	-173.5	0	0	0	0	0	113.2	D270 F271 F278 E279 K282	D270-A274 CarbonylContact O-C 3.6Å; D270-A274 WeakPolarHBondContact O-CA 3.48Å; D270-A274 PolarHBondContact O-N 3.06Å; F271-A274 PolarHBondContact O-N 3.44Å; A274-F278 CarbonylContact C-O 3.46Å; A274-F278 WeakPolarHBondContact CA-O 3.34Å; A274-F278 VanDerWaalsContact CB-O 3.28Å; A274-F278 WeakPolarHBondContact CB-O 3.4Å; A274-E279 WeakPolarHBondContact O-CA 3.38Å; A274-K282 HydrophobicContact CB-CB 3.71Å; A274-K282 HydrophobicContact CB-CG 4.38Å
275	K	98.3	Very high	97.9	Very high	118 Å²	118	72.9 Å²	72.9	51%	0.513	36%	0.364	S	S	.	.			trans	-130.3	163.7	-178.2	-66.1	-170.8	178.4	-176.2	0	112.6	D270 N273 G277 F278	D270-K275 WeakPolarHBondContact CB-O 3.39Å; D270-K275 PolarHBondContact O-N 3.24Å; N273-K275 HydrophobicContact CB-CD 4.31Å; N273-K275 HydrophobicContact CB-CG 4.19Å; K275-G277 PolarHBondContact O-N 3.19Å; K275-F278 PolarHBondContact O-N 2.92Å; K275-F278 VanDerWaalsContact O-N 3.07Å
276	N	97.9	Very high	97.9	Very high	88 Å²	88	69.9 Å²	69.9	47%	0.471	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	35.3	164.9	-58.7	-39	0	0	0	114.7	R59 D270 E279	R59-N276 PolarHBondContact NH2-O 3.41Å; D270-N276 PolarHBondContact OD1-ND2 2.88Å; D270-N276 WeakPolarHBondContact OD2-CB 3.35Å; N276-E279 WeakPolarHBondContact CA-OE1 3.27Å; N276-E279 PolarHBondContact N-OE1 3.03Å
277	G	97.8	Very high	97.9	Very high	2 Å²	2	73 Å²	73	2%	0.021	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	134.2	-24.3	-177	0	0	0	0	0	112.1	F78 R97 K275 E279	F78-G277 WeakPolarHBondContact CZ-O 3.39Å; R97-G277 VanDerWaalsContact CZ-N 3.3Å; K275-G277 PolarHBondContact O-N 3.19Å; G277-E279 VanDerWaalsContact C-OE2 3.23Å; G277-E279 VanDerWaalsContact CA-OE2 3.31Å; G277-E279 WeakPolarHBondContact CA-OE2 3.25Å; G277-E279 PolarHBondContact N-OE1 3.04Å; G277-E279 PolarHBondContact N-OE2 3.04Å
278	F	98.7	Very high	97.8	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.369	C	S	.	.			trans	-109.2	21.2	-177.1	-65.6	-65.2	0	0	0	113.8	P57 R59 F78 G98 F256 D270 F271 A274 K275 G280 A281	P57-F278 HydrophobicContact CB-CE1 3.98Å; P57-F278 HydrophobicContact CB-CZ 4.35Å; R59-F278 HydrophobicContact CB-CE2 4.49Å; R59-F278 HydrophobicContact CB-CZ 4.16Å; F78-F278 HydrophobicContact CE2-CD1 4.45Å; G98-F278 VanDerWaalsContact CA-CE1 3.49Å; F256-F278 HydrophobicContact CE1-CE2 4.24Å; F256-F278 AromaticContact CE1-CZ 3.92Å; F256-F278 HydrophobicContact CE1-CZ 3.92Å; D270-F278 HydrophobicContact CB-CD2 4.19Å; F271-F278 HydrophobicContact CB-CD2 3.88Å; F271-F278 HydrophobicContact CB-CE2 4.09Å; F271-F278 HydrophobicContact CB-CG 4.24Å; F271-F278 HydrophobicContact CD2-CB 4.35Å; F271-F278 AromaticContact CD2-CD1 3.83Å; F271-F278 HydrophobicContact CD2-CD1 3.83Å; F271-F278 HydrophobicContact CD2-CD2 4.37Å; F271-F278 HydrophobicContact CD2-CE1 4.16Å; F271-F278 AromaticContact CD2-CG 3.94Å; F271-F278 HydrophobicContact CD2-CG 3.94Å; A274-F278 CarbonylContact C-O 3.46Å; A274-F278 WeakPolarHBondContact CA-O 3.34Å; A274-F278 VanDerWaalsContact CB-O 3.28Å; A274-F278 WeakPolarHBondContact CB-O 3.4Å; K275-F278 PolarHBondContact O-N 2.92Å; K275-F278 VanDerWaalsContact O-N 3.07Å; F278-G280 PolarHBondContact O-N 2.87Å; F278-A281 HydrophobicContact CB-CB 4.2Å; F278-A281 WeakPolarHBondContact O-CB 3.46Å; F278-A281 PolarHBondContact O-N 3.23Å
279	E	98.4	Very high	97.6	Very high	96 Å²	96	74 Å²	74	45%	0.449	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-56.7	-37.7	-177.5	-65.1	83.6	173.6	0	0	112.5	R97 A274 N276 G277 A281	R97-E279 IonicContact NH2-OE1 2.84Å; R97-E279 PolarHBondContact NH2-OE1 3Å; R97-E279 IonicContact NH2-OE2 3.01Å; A274-E279 WeakPolarHBondContact O-CA 3.38Å; N276-E279 WeakPolarHBondContact CA-OE1 3.27Å; N276-E279 PolarHBondContact N-OE1 3.03Å; G277-E279 VanDerWaalsContact C-OE2 3.23Å; G277-E279 VanDerWaalsContact CA-OE2 3.31Å; G277-E279 WeakPolarHBondContact CA-OE2 3.25Å; G277-E279 PolarHBondContact N-OE1 3.04Å; G277-E279 PolarHBondContact N-OE2 3.04Å; E279-A281 PolarHBondContact O-N 3.41Å
280	G	95.5	Very high	97	Very high	32 Å²	32	77.6 Å²	77.6	33%	0.33	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-65.7	-20.9	175.3	0	0	0	0	0	114.2	F278 K282 W284	F278-G280 PolarHBondContact O-N 2.87Å; G280-K282 PolarHBondContact O-N 2.88Å; G280-W284 WeakPolarHBondContact O-CB 3.32Å
281	A	96.4	Very high	96.9	Very high	20 Å²	20	80.6 Å²	80.6	17%	0.165	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-72.3	-13.5	-175.1	0	0	0	0	0	113.8	L100 F271 F278 E279 T283	L100-A281 HydrophobicContact CD2-CB 3.64Å; F271-A281 HydrophobicContact CD2-CB 4.39Å; F271-A281 HydrophobicContact CE2-CB 4.13Å; F278-A281 HydrophobicContact CB-CB 4.2Å; F278-A281 WeakPolarHBondContact O-CB 3.46Å; F278-A281 PolarHBondContact O-N 3.23Å; E279-A281 PolarHBondContact O-N 3.41Å; A281-T283 VanDerWaalsContact C-N 3.28Å; A281-T283 PolarHBondContact O-N 3.07Å
282	K	95.6	Very high	96.9	Very high	172 Å²	172	81.2 Å²	81.2	75%	0.748	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-55.7	-39.6	-172.1	-169.8	179.3	178.6	178.9	0	113.8	A274 G280	A274-K282 HydrophobicContact CB-CB 3.71Å; A274-K282 HydrophobicContact CB-CG 4.38Å; G280-K282 PolarHBondContact O-N 2.88Å
283	T	95.7	Very high	96.8	Very high	126 Å²	126	75.9 Å²	75.9	77%	0.773	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.9	1.6	-176	56.9	0	0	0	0	113.1	A281	A281-T283 VanDerWaalsContact C-N 3.28Å; A281-T283 PolarHBondContact O-N 3.07Å
284	W	98.3	Very high	96.7	Very high	46 Å²	46	75.4 Å²	75.4	17%	0.174	39%	0.386	C	S	.	.			trans	-70.3	142.5	-177.7	179.3	86.3	0	0	0	111.1	D55 E76 D77 F78 L100 G280	D55-W284 HydrophobicContact CB-CZ3 3.87Å; D55-W284 VanDerWaalsContact CG-CZ3 3.5Å; E76-W284 HydrophobicContact CG-CZ2 4.12Å; D77-W284 WeakPolarHBondContact O-CZ2 3.31Å; D77-W284 PolarHBondContact O-NE1 3.34Å; F78-W284 VanDerWaalsContact CA-CE2 3.45Å; F78-W284 HydrophobicContact CB-CB 4.15Å; F78-W284 HydrophobicContact CB-CD2 3.66Å; F78-W284 HydrophobicContact CB-CE3 4.08Å; F78-W284 HydrophobicContact CB-CG 3.71Å; L100-W284 HydrophobicContact CD1-CZ3 4.28Å; L100-W284 HydrophobicContact CD2-CE3 3.49Å; L100-W284 VanDerWaalsContact CD2-CE3 3.49Å; L100-W284 HydrophobicContact CD2-CZ3 3.91Å; L100-W284 HydrophobicContact CG-CE3 3.68Å; L100-W284 HydrophobicContact CG-CZ3 3.55Å; G280-W284 WeakPolarHBondContact O-CB 3.32Å
285	K	98.3	Very high	96.6	Very high	150 Å²	150	79 Å²	79	65%	0.652	40%	0.401	S	S	*	.			trans	-143.6	131.3	170.4	-69.8	-164.6	173.6	-154.3	0	107.5	D55	D55-K285 VanDerWaalsContact OD2-CA 3.29Å; D55-K285 WeakPolarHBondContact OD2-CA 3.45Å
286	S	98.3	Very high	96.5	Very high	4 Å²	4	76.4 Å²	76.4	3%	0.028	39%	0.394	C	S	.	.			trans	-67.9	155.6	176	74.4	0	0	0	0	111.1	D55 E76 G289 N290	D55-S286 WeakPolarHBondContact OD1-CB 3.36Å; D55-S286 PolarHBondContact OD1-OG 2.97Å; D55-S286 PolarHBondContact OD2-N 3.08Å; E76-S286 WeakPolarHBondContact OE2-CB 3.48Å; S286-G289 WeakPolarHBondContact OG-CA 3.27Å; S286-G289 PolarHBondContact OG-N 2.94Å; S286-N290 PolarHBondContact O-ND2 2.86Å
287	K	98.2	Very high	96.4	Very high	180 Å²	180	75.6 Å²	75.6	78%	0.783	39%	0.388	S	S	*	.	S	Bend	trans	-75.7	-34.4	168.2	-64.3	175	-175.7	169.8	0	111.4	E76	E76-K287 VanDerWaalsContact CD-N 3.32Å; E76-K287 PolarHBondContact OE1-N 2.87Å; E76-K287 VanDerWaalsContact OE1-N 3.16Å; E76-K287 PolarHBondContact OE2-N 2.95Å
288	I	97.5	Very high	96.3	Very high	58 Å²	58	81.2 Å²	81.2	30%	0.297	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-23.7	-172.1	63.5	174.3	0	0	0	113.8	A74 E76 A102 M104	A74-I288 HydrophobicContact CB-CD1 4.2Å; E76-I288 HydrophobicContact CB-CD1 3.8Å; E76-I288 HydrophobicContact CB-CG1 4.03Å; E76-I288 PolarHBondContact OE2-N 3.28Å; A102-I288 HydrophobicContact CB-CD1 4Å; A102-I288 HydrophobicContact CB-CG1 3.82Å; M104-I288 HydrophobicContact CB-CB 4.35Å; M104-I288 HydrophobicContact CB-CD1 4.19Å; M104-I288 HydrophobicContact CB-CG1 4.39Å; M104-I288 HydrophobicContact CG-CB 4.12Å; M104-I288 HydrophobicContact CG-CD1 3.97Å; M104-I288 HydrophobicContact CG-CG1 3.85Å; M104-I288 WeakPolarHBondContact CG-O 3.49Å
289	G	93.8	Very high	96.1	Very high	19 Å²	19	88 Å²	88	20%	0.196	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.8	-177.3	0	0	0	0	0	115.2	S286	S286-G289 WeakPolarHBondContact OG-CA 3.27Å; S286-G289 PolarHBondContact OG-N 2.94Å
290	N	86.9	Confident	95.8	Very high	153 Å²	153	87.3 Å²	87.3	82%	0.818	45%	0.451	S	S	*	.			trans	-124.6	0	-176.7	-68.8	-79.8	0	0	0	112.6	S286	S286-N290 PolarHBondContact O-ND2 2.86Å

Retrieved 290 of 290 residues in 171.4 ms (Link to these results)

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