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Glutamine synthetase

Glutamine synthetase that catalyzes the ATP-dependent conversion of glutamate and ammonia to glutamine^1,2,3. Its role depends on tissue localization: in the brain, it regulates the levels of toxic ammonia and converts neurotoxic glutamate to harmless glutamine, whereas in the liver, it is one of the enzymes responsible for the removal of ammonia (By similarity). Plays a key role in ammonium detoxification during erythropoiesis: the glutamine synthetase activity is required to remove ammonium generated by porphobilinogen deaminase (HMBS) during heme biosynthesis to prevent ammonium accumulation and oxidative stress (By similarity). Essential for proliferation of fetal skin fibroblasts⁴. Independently of its glutamine synthetase activity, required for endothelial cell migration during vascular development: acts by regulating membrane localization and activation of the GTPase RHOJ, possibly by promoting RHOJ palmitoylation⁵. May act as a palmitoyltransferase for RHOJ: able to autopalmitoylate and then transfer the palmitoyl group to RHOJ⁶. Plays a role in ribosomal 40S subunit biogenesis⁷. Through the interaction with BEST2, inhibits BEST2 channel activity by affecting the gating at the aperture in the absence of intracellular L-glutamate, but sensitizes BEST2 to intracellular L-glutamate, which promotes the opening of BEST2 and thus relieves its inhibitory effect on BEST2⁸.

AlphaFold DB , UniProt , Accession P15104, Species HUMAN (Homo sapiens, Human), Gene GLUL, Length 373 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	65.8	Low	93.3	Very high	164 Å²	164	81.5 Å²	81.5	81%	0.808	46%	0.46	S	S	*	.				0	130.5	0	-76.6	-175.1	-106.4	0	0	107.7	T3 F147 G148	M1-T3 PolarHBondContact O-N 2.84Å; M1-F147 HydrophobicContact SD-CD2 4.03Å; M1-F147 HydrophobicContact SD-CE1 4.28Å; M1-F147 HydrophobicContact SD-CE2 3.63Å; M1-F147 HydrophobicContact SD-CZ 3.77Å; M1-G148 VanDerWaalsContact SD-CA 3.54Å; M1-G148 PolarHBondContact SD-N 2.78Å
2	T	86.6	Confident	93.7	Very high	54 Å²	54	78.3 Å²	78.3	33%	0.331	46%	0.458	S	S	.	.			trans	-92	95.9	-178.8	46.3	0	0	0	0	108.8	G141 T142 D143	T2-G141 CarbonylContact O-C 3.4Å; T2-G141 WeakPolarHBondContact O-CA 3.05Å; T2-T142 PolarHBondContact O-N 2.95Å; T2-T142 PolarHBondContact O-OG1 3.07Å; T2-D143 WeakPolarHBondContact CB-OD2 3.36Å; T2-D143 HydrophobicContact CG2-CB 4.06Å; T2-D143 WeakPolarHBondContact CG2-OD2 3.31Å; T2-D143 PolarHBondContact OG1-N 3.02Å; T2-D143 PolarHBondContact OG1-OD1 2.99Å; T2-D143 PolarHBondContact OG1-OD2 2.82Å
3	T	91.8	Very high	94.1	Very high	37 Å²	37	79.9 Å²	79.9	23%	0.227	46%	0.462	C	S	.	.			trans	-95.6	161.4	167.2	49	0	0	0	0	110.2	M1 H8 F147 G233 V234	M1-T3 PolarHBondContact O-N 2.84Å; T3-H8 PolarHBondContact OG1-CE1 3.4Å; T3-H8 PolarHBondContact OG1-NE2 2.67Å; T3-F147 HydrophobicContact CG2-CE2 4.12Å; T3-G233 CarbonylContact C-O 3.59Å; T3-G233 VanDerWaalsContact CA-O 3.3Å; T3-G233 WeakPolarHBondContact CA-O 3.45Å; T3-V234 HydrophobicContact CG2-CG1 4.24Å
4	S	97.3	Very high	94.4	Very high	28 Å²	28	80.7 Å²	80.7	20%	0.196	46%	0.457	C	S	.	.			trans	-65.6	147.8	-178.2	82.7	0	0	0	0	112.4	S6 S7 H8 G233	S4-S6 PolarHBondContact O-N 3.14Å; S4-S7 WeakPolarHBondContact O-CB 3.35Å; S4-S7 PolarHBondContact O-N 3.36Å; S4-S7 PolarHBondContact O-OG 2.69Å; S4-S7 PolarHBondContact OG-N 3.38Å; S4-H8 PolarHBondContact O-CD2 3.07Å; S4-G233 PolarHBondContact N-O 3.44Å; S4-G233 VanDerWaalsContact OG-CA 3.28Å; S4-G233 WeakPolarHBondContact OG-CA 3.46Å
5	A	97.7	Very high	94.6	Very high	84 Å²	84	82.5 Å²	82.5	69%	0.694	46%	0.461	S	S	*	.	G	3₁₀ helix	trans	-54.9	-39.2	175	0	0	0	0	0	112.5	S7 H8	A5-S7 PolarHBondContact O-N 2.63Å; A5-H8 WeakPolarHBondContact O-CB 3.43Å; A5-H8 PolarHBondContact O-N 3.49Å; A5-H8 VanDerWaalsContact O-N 3.08Å
6	S	97.6	Very high	94.9	Very high	72 Å²	72	83.1 Å²	83.1	50%	0.503	47%	0.467	S	S	.	.	G	3₁₀ helix	trans	-64.8	-23.5	178.7	-54.9	0	0	0	0	113.8	S4 H8 L9 K11	S4-S6 PolarHBondContact O-N 3.14Å; S6-H8 VanDerWaalsContact C-N 3.26Å; S6-H8 PolarHBondContact O-N 2.96Å; S6-L9 PolarHBondContact O-N 2.72Å; S6-K11 PolarHBondContact O-NZ 3.16Å
7	S	97.6	Very high	95.1	Very high	21 Å²	21	87.6 Å²	87.6	15%	0.147	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-70.6	-24.3	174.6	75.4	0	0	0	0	112.8	S4 A5 K11	S4-S7 WeakPolarHBondContact O-CB 3.35Å; S4-S7 PolarHBondContact O-N 3.36Å; S4-S7 PolarHBondContact O-OG 2.69Å; S4-S7 PolarHBondContact OG-N 3.38Å; A5-S7 PolarHBondContact O-N 2.63Å; S7-K11 WeakPolarHBondContact O-CE 3.19Å
8	H	97.9	Very high	95.2	Very high	134 Å²	134	87.1 Å²	87.1	62%	0.62	47%	0.471	S	S	*	.	G	3₁₀ helix	trans	-86.8	-7.6	178.2	-55.8	-56.1	0	0	0	113.8	T3 S4 A5 S6	T3-H8 PolarHBondContact OG1-CE1 3.4Å; T3-H8 PolarHBondContact OG1-NE2 2.67Å; S4-H8 PolarHBondContact O-CD2 3.07Å; A5-H8 WeakPolarHBondContact O-CB 3.43Å; A5-H8 PolarHBondContact O-N 3.49Å; A5-H8 VanDerWaalsContact O-N 3.08Å; S6-H8 VanDerWaalsContact C-N 3.26Å; S6-H8 PolarHBondContact O-N 2.96Å
9	L	98.2	Very high	95.4	Very high	116 Å²	116	86.9 Å²	86.9	61%	0.607	48%	0.477	S	S	*	.	S	Bend	trans	-60.8	145.2	169.5	-65.7	175.6	0	0	0	110.1	S6 K11	S6-L9 PolarHBondContact O-N 2.72Å; L9-K11 PolarHBondContact O-N 3.04Å
10	N	98.2	Very high	95.6	Very high	109 Å²	109	88.1 Å²	88.1	58%	0.583	48%	0.482	S	S	*	.			trans	-65.1	102	-179.6	-174.4	-25.1	0	0	0	111	G12 I13	N10-G12 PolarHBondContact O-N 2.84Å; N10-G12 WeakPolarHBondContact OD1-CA 3.2Å; N10-G12 PolarHBondContact OD1-N 2.94Å; N10-I13 HydrophobicContact CB-CD1 3.96Å; N10-I13 HydrophobicContact CB-CG1 4.07Å; N10-I13 WeakPolarHBondContact O-CB 2.88Å; N10-I13 PolarHBondContact O-N 3.19Å; N10-I13 VanDerWaalsContact O-N 3.16Å; N10-I13 PolarHBondContact OD1-N 2.79Å
11	K	97.6	Very high	95.7	Very high	78 Å²	78	90 Å²	90	34%	0.339	50%	0.498	S	S	.	.	H	α-helix	trans	-66.7	-23.9	-179.1	-54.5	-56.7	-171.3	174.5	0	113	S6 S7 L9 I13 K14 Q15 D231	S6-K11 PolarHBondContact O-NZ 3.16Å; S7-K11 WeakPolarHBondContact O-CE 3.19Å; L9-K11 PolarHBondContact O-N 3.04Å; K11-I13 VanDerWaalsContact C-N 3.28Å; K11-I13 PolarHBondContact O-N 2.77Å; K11-K14 PolarHBondContact O-N 2.91Å; K11-Q15 PolarHBondContact O-N 3.27Å; K11-D231 WeakPolarHBondContact CE-O 3.2Å; K11-D231 PolarHBondContact NZ-O 3.29Å
12	G	98.3	Very high	97.3	Very high	43 Å²	43	85.7 Å²	85.7	44%	0.443	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-36	173.2	0	0	0	0	0	112.3	N10 Q15 V16	N10-G12 PolarHBondContact O-N 2.84Å; N10-G12 WeakPolarHBondContact OD1-CA 3.2Å; N10-G12 PolarHBondContact OD1-N 2.94Å; G12-Q15 WeakPolarHBondContact O-CB 3.49Å; G12-Q15 PolarHBondContact O-N 2.74Å; G12-V16 PolarHBondContact O-N 3.15Å; G12-V16 VanDerWaalsContact O-N 3.15Å
13	I	98.4	Very high	97.8	Very high	99 Å²	99	86 Å²	86	51%	0.508	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-48.3	175.4	-62.9	178.7	0	0	0	110.4	N10 K11 Q15 V16 Y17	N10-I13 HydrophobicContact CB-CD1 3.96Å; N10-I13 HydrophobicContact CB-CG1 4.07Å; N10-I13 WeakPolarHBondContact O-CB 2.88Å; N10-I13 PolarHBondContact O-N 3.19Å; N10-I13 VanDerWaalsContact O-N 3.16Å; N10-I13 PolarHBondContact OD1-N 2.79Å; K11-I13 VanDerWaalsContact C-N 3.28Å; K11-I13 PolarHBondContact O-N 2.77Å; I13-Q15 PolarHBondContact O-N 3.42Å; I13-V16 WeakPolarHBondContact O-CB 3.4Å; I13-V16 PolarHBondContact O-N 3.14Å; I13-Y17 HydrophobicContact CG2-CD2 4.35Å; I13-Y17 HydrophobicContact CG2-CE2 3.89Å; I13-Y17 VanDerWaalsContact O-CD2 3.23Å; I13-Y17 WeakPolarHBondContact O-CD2 3.43Å
14	K	98	Very high	98.1	Very high	91 Å²	91	92.3 Å²	92.3	40%	0.396	52%	0.517	S	S	.	.	H	α-helix	trans	-54.4	-43	174.7	-177.6	-175.4	177.4	-170.2	0	110.6	K11 V16 Y17 M18 D231	K11-K14 PolarHBondContact O-N 2.91Å; K14-V16 VanDerWaalsContact C-N 3.34Å; K14-V16 PolarHBondContact O-N 3.12Å; K14-Y17 PolarHBondContact O-N 3.32Å; K14-M18 HydrophobicContact CG-CG 4.01Å; K14-M18 VanDerWaalsContact O-CG 3.3Å; K14-M18 WeakPolarHBondContact O-CG 3.42Å; K14-M18 PolarHBondContact O-N 2.85Å; K14-D231 IonicContact NZ-OD1 3.45Å; K14-D231 PolarHBondContact NZ-OD1 2.63Å; K14-D231 IonicContact NZ-OD2 2.63Å
15	Q	98.2	Very high	98.1	Very high	108 Å²	108	95.8 Å²	95.8	51%	0.505	53%	0.529	S	S	.	.	H	α-helix	trans	-63.7	-34.7	-178	-170.1	55.7	43.3	0	0	113.6	K11 G12 I13 Y17 M18 S19	K11-Q15 PolarHBondContact O-N 3.27Å; G12-Q15 WeakPolarHBondContact O-CB 3.49Å; G12-Q15 PolarHBondContact O-N 2.74Å; I13-Q15 PolarHBondContact O-N 3.42Å; Q15-Y17 VanDerWaalsContact C-N 3.35Å; Q15-Y17 PolarHBondContact O-N 3.36Å; Q15-M18 PolarHBondContact O-N 2.84Å; Q15-S19 WeakPolarHBondContact O-CB 3.32Å; Q15-S19 PolarHBondContact O-N 2.78Å; Q15-S19 VanDerWaalsContact O-N 3.12Å; Q15-S19 PolarHBondContact O-OG 2.94Å
16	V	98.5	Very high	98.2	Very high	92 Å²	92	91.9 Å²	91.9	56%	0.558	50%	0.496	S	S	*	.	H	α-helix	trans	-56	-51.3	173.6	172.7	0	0	0	0	110	G12 I13 K14 S19	G12-V16 PolarHBondContact O-N 3.15Å; G12-V16 VanDerWaalsContact O-N 3.15Å; I13-V16 WeakPolarHBondContact O-CB 3.4Å; I13-V16 PolarHBondContact O-N 3.14Å; K14-V16 VanDerWaalsContact C-N 3.34Å; K14-V16 PolarHBondContact O-N 3.12Å; V16-S19 PolarHBondContact O-N 2.88Å; V16-S19 PolarHBondContact O-OG 2.65Å
17	Y	98.6	Very high	98.3	Very high	159 Å²	159	91.5 Å²	91.5	62%	0.624	49%	0.487	S	S	*	.	H	α-helix	trans	-69.4	-39.5	-179.9	-65	-80.9	0	0	0	113	I13 K14 Q15 S19 L20	I13-Y17 HydrophobicContact CG2-CD2 4.35Å; I13-Y17 HydrophobicContact CG2-CE2 3.89Å; I13-Y17 VanDerWaalsContact O-CD2 3.23Å; I13-Y17 WeakPolarHBondContact O-CD2 3.43Å; K14-Y17 PolarHBondContact O-N 3.32Å; Q15-Y17 VanDerWaalsContact C-N 3.35Å; Q15-Y17 PolarHBondContact O-N 3.36Å; Y17-S19 PolarHBondContact O-N 3.01Å; Y17-S19 VanDerWaalsContact O-N 3.14Å; Y17-L20 HydrophobicContact CD1-CD1 4.24Å; Y17-L20 WeakPolarHBondContact O-CB 3.35Å; Y17-L20 WeakPolarHBondContact O-CG 3.43Å; Y17-L20 PolarHBondContact O-N 2.82Å; Y17-L20 VanDerWaalsContact O-N 3.15Å
18	M	98.2	Very high	98.3	Very high	79 Å²	79	90.5 Å²	90.5	39%	0.389	48%	0.48	S	S	.	.	H	α-helix	trans	-67.2	-10.3	177.7	-67.9	-57.9	-58.9	0	0	113.7	K14 Q15 F89 R90	K14-M18 HydrophobicContact CG-CG 4.01Å; K14-M18 VanDerWaalsContact O-CG 3.3Å; K14-M18 WeakPolarHBondContact O-CG 3.42Å; K14-M18 PolarHBondContact O-N 2.85Å; Q15-M18 PolarHBondContact O-N 2.84Å; M18-F89 WeakPolarHBondContact CE-O 3.47Å; M18-R90 HydrophobicContact CE-CB 4.43Å; M18-R90 HydrophobicContact CE-CG 4.12Å
19	S	98.2	Very high	98.4	Very high	83 Å²	83	84.8 Å²	84.8	58%	0.58	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-4.3	175.9	72.1	0	0	0	0	114.1	Q15 V16 Y17	Q15-S19 WeakPolarHBondContact O-CB 3.32Å; Q15-S19 PolarHBondContact O-N 2.78Å; Q15-S19 VanDerWaalsContact O-N 3.12Å; Q15-S19 PolarHBondContact O-OG 2.94Å; V16-S19 PolarHBondContact O-N 2.88Å; V16-S19 PolarHBondContact O-OG 2.65Å; Y17-S19 PolarHBondContact O-N 3.01Å; Y17-S19 VanDerWaalsContact O-N 3.14Å
20	L	98.7	Very high	98.4	Very high	111 Å²	111	79.2 Å²	79.2	58%	0.581	42%	0.424	S	S	*	.	S	Bend	trans	-64	139.5	176.4	-68.1	173.1	0	0	0	110.7	Y17 Q22	Y17-L20 HydrophobicContact CD1-CD1 4.24Å; Y17-L20 WeakPolarHBondContact O-CB 3.35Å; Y17-L20 WeakPolarHBondContact O-CG 3.43Å; Y17-L20 PolarHBondContact O-N 2.82Å; Y17-L20 VanDerWaalsContact O-N 3.15Å; L20-Q22 PolarHBondContact O-N 2.95Å; L20-Q22 VanDerWaalsContact O-N 3.14Å
21	P	98.5	Very high	98.4	Very high	127 Å²	127	74 Å²	74	83%	0.825	40%	0.396	S	S	*	.			trans	-58.8	118.6	168.5	-22	33.3	0	0	0	110.2	G23	P21-G23 VanDerWaalsContact C-N 3.35Å; P21-G23 PolarHBondContact O-N 3.02Å
22	Q	98.3	Very high	98.5	Very high	74 Å²	74	71 Å²	71	35%	0.346	38%	0.383	S	S	.	.			trans	-73.2	-23.7	-175	157.6	171.2	4.9	0	0	113.9	L20 K25 N94	L20-Q22 PolarHBondContact O-N 2.95Å; L20-Q22 VanDerWaalsContact O-N 3.14Å; Q22-K25 WeakPolarHBondContact CG-O 3.46Å; Q22-K25 PolarHBondContact NE2-O 2.9Å; Q22-N94 PolarHBondContact NE2-OD1 2.98Å; Q22-N94 PolarHBondContact OE1-ND2 2.84Å; Q22-N94 PolarHBondContact OE1-OD1 3.38Å
23	G	98	Very high	98.5	Very high	60 Å²	60	69.7 Å²	69.7	62%	0.619	37%	0.365	S	S	*	.			trans	78.8	-154.2	-172.2	0	0	0	0	0	112.8	P21	P21-G23 VanDerWaalsContact C-N 3.35Å; P21-G23 PolarHBondContact O-N 3.02Å
24	E	97.7	Very high	98.5	Very high	170 Å²	170	65.4 Å²	65.4	79%	0.794	34%	0.344	S	S	*	.	S	Bend	trans	-82.6	-25.4	-172.7	-62.1	179.1	169.6	0	0	114
25	K	98.6	Very high	98.5	Very high	102 Å²	102	62.2 Å²	62.2	44%	0.443	34%	0.337	S	S	.	.			trans	-67.6	146.7	-179	-62.7	-55.5	-175.6	-168.9	0	110.6	Q22 T46 D48	Q22-K25 WeakPolarHBondContact CG-O 3.46Å; Q22-K25 PolarHBondContact NE2-O 2.9Å; K25-T46 HydrophobicContact CB-CG2 3.77Å; K25-T46 HydrophobicContact CD-CG2 4.27Å; K25-T46 HydrophobicContact CG-CG2 4.2Å; K25-D48 IonicContact NZ-OD1 2.75Å; K25-D48 PolarHBondContact NZ-OD1 3.17Å
26	V	98.8	Very high	98.5	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.8	-176.1	-178.5	0	0	0	0	111	T46 L47 S49 E50 P93	V26-T46 CarbonylContact O-C 3.56Å; V26-T46 WeakPolarHBondContact O-CA 3.18Å; V26-L47 HydrophobicContact CB-CB 4.36Å; V26-L47 PolarHBondContact N-O 2.87Å; V26-L47 PolarHBondContact O-N 3.32Å; V26-S49 VanDerWaalsContact CG2-C 3.49Å; V26-E50 HydrophobicContact CG2-CB 4.1Å; V26-P93 HydrophobicContact CB-CG 4.47Å; V26-P93 HydrophobicContact CG1-CB 4.31Å; V26-P93 HydrophobicContact CG1-CG 4.33Å; V26-P93 WeakPolarHBondContact CG1-O 3.23Å; V26-P93 HydrophobicContact CG2-CB 3.91Å; V26-P93 HydrophobicContact CG2-CG 3.65Å
27	Q	98.9	Very high	98.5	Very high	64 Å²	64	55.9 Å²	55.9	30%	0.299	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.7	173.8	-53.7	-175	-84.6	0	0	109.9	T44 N94 K95	Q27-T44 HydrophobicContact CB-CG2 3.9Å; Q27-N94 WeakPolarHBondContact CA-OD1 3.25Å; Q27-N94 HydrophobicContact CB-CB 4.32Å; Q27-N94 VanDerWaalsContact CB-OD1 3.23Å; Q27-N94 WeakPolarHBondContact CB-OD1 3.49Å; Q27-N94 WeakPolarHBondContact CG-OD1 3.17Å; Q27-N94 PolarHBondContact N-OD1 3.4Å; Q27-N94 WeakPolarHBondContact O-CA 3.48Å; Q27-N94 WeakPolarHBondContact O-CB 3.24Å; Q27-K95 PolarHBondContact O-N 2.88Å
28	A	98.9	Very high	98.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.7	172.8	0	0	0	0	0	109.6	Y30 T44 R45 L47 L57 V97	A28-Y30 HydrophobicContact CB-CD2 4.29Å; A28-Y30 HydrophobicContact CB-CE2 3.86Å; A28-T44 WeakPolarHBondContact O-CA 3.36Å; A28-R45 HydrophobicContact CB-CG 4.36Å; A28-R45 PolarHBondContact N-O 2.86Å; A28-R45 PolarHBondContact O-N 2.88Å; A28-L47 HydrophobicContact CB-CD1 3.82Å; A28-L47 HydrophobicContact CB-CG 4.11Å; A28-L57 HydrophobicContact CB-CD2 4.5Å; A28-V97 HydrophobicContact CB-CG2 4.34Å
29	M	98.9	Very high	98.5	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.064	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	109.8	175.7	-177.7	175.6	-68.9	0	0	109.9	I31 C42 K43 K95 L96 V97 F223	M29-I31 HydrophobicContact CG-CG1 4.44Å; M29-C42 HydrophobicContact CG-CB 3.92Å; M29-C42 HydrophobicContact SD-CB 4.17Å; M29-K43 CarbonylContact C-O 3.56Å; M29-K43 WeakPolarHBondContact CA-O 3.23Å; M29-K95 PolarHBondContact N-O 2.83Å; M29-L96 HydrophobicContact CB-CD2 3.99Å; M29-L96 HydrophobicContact CG-CD2 4.39Å; M29-L96 CarbonylContact O-C 3.56Å; M29-L96 HydrophobicContact SD-CD2 4.08Å; M29-V97 PolarHBondContact O-N 3.39Å; M29-F223 HydrophobicContact SD-CE1 3.77Å; M29-F223 HydrophobicContact SD-CZ 3.44Å; M29-F223 WeakPolarHBondContact SD-CZ 3.41Å
30	Y	98.9	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.6	177.8	-76.8	-129.2	0	0	0	108.6	A28 C42 K43 R45 P58 W60 L79 P81 V97 C99	A28-Y30 HydrophobicContact CB-CD2 4.29Å; A28-Y30 HydrophobicContact CB-CE2 3.86Å; Y30-C42 CarbonylContact O-C 3.59Å; Y30-C42 WeakPolarHBondContact O-CA 3.37Å; Y30-C42 WeakPolarHBondContact O-CB 3.25Å; Y30-K43 PolarHBondContact N-O 2.66Å; Y30-K43 PolarHBondContact O-N 3Å; Y30-R45 HydrophobicContact CE2-CG 4.08Å; Y30-P58 WeakPolarHBondContact CE1-O 3.4Å; Y30-P58 WeakPolarHBondContact OH-CD 3.49Å; Y30-P58 PolarHBondContact OH-O 3.22Å; Y30-W60 HydrophobicContact CD1-CB 4.24Å; Y30-W60 AromaticContact CD1-CE3 4Å; Y30-W60 HydrophobicContact CD1-CE3 4Å; Y30-W60 AromaticContact CD2-CE3 3.87Å; Y30-W60 HydrophobicContact CD2-CE3 3.87Å; Y30-W60 HydrophobicContact CD2-CZ3 4.07Å; Y30-W60 HydrophobicContact CE1-CB 4.13Å; Y30-W60 HydrophobicContact CE1-CE3 4.36Å; Y30-W60 HydrophobicContact CE2-CE3 4.26Å; Y30-W60 AromaticContact CG-CE3 3.76Å; Y30-W60 HydrophobicContact CG-CE3 3.76Å; Y30-W60 HydrophobicContact CG-CZ3 4.23Å; Y30-L79 HydrophobicContact CD1-CB 4.35Å; Y30-L79 HydrophobicContact CD1-CD1 4.4Å; Y30-P81 HydrophobicContact CE1-CG 3.89Å; Y30-V97 CarbonylContact C-O 3.56Å; Y30-V97 WeakPolarHBondContact CA-O 3.34Å; Y30-V97 HydrophobicContact CD1-CG1 4.38Å; Y30-V97 HydrophobicContact CD2-CB 4.1Å; Y30-V97 HydrophobicContact CD2-CG2 4.24Å; Y30-V97 HydrophobicContact CE1-CG1 4.33Å; Y30-V97 HydrophobicContact CE2-CB 4.29Å; Y30-V97 HydrophobicContact CE2-CG1 4.48Å; Y30-V97 HydrophobicContact CE2-CG2 4.11Å; Y30-V97 HydrophobicContact CG-CB 4.27Å; Y30-V97 HydrophobicContact CG-CG1 4.48Å; Y30-C99 WeakPolarHBondContact CD1-SG 3.33Å
31	I	99	Very high	98.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.2	-174.2	-57.3	161.4	0	0	0	108.2	M29 L40 R41 C42 L96 V97 L98 C99 F223	M29-I31 HydrophobicContact CG-CG1 4.44Å; I31-L40 HydrophobicContact CG2-CD2 3.98Å; I31-R41 WeakPolarHBondContact CA-O 3.38Å; I31-C42 HydrophobicContact CG1-CB 4.24Å; I31-L96 HydrophobicContact CD1-CB 3.85Å; I31-L96 HydrophobicContact CD1-CD1 4.31Å; I31-L96 HydrophobicContact CD1-CD2 4.31Å; I31-L96 HydrophobicContact CD1-CG 4.36Å; I31-V97 PolarHBondContact N-O 2.98Å; I31-L98 HydrophobicContact CG2-CD1 4.41Å; I31-C99 PolarHBondContact O-N 2.87Å; I31-F223 HydrophobicContact CD1-CB 4.41Å; I31-F223 HydrophobicContact CD1-CD1 3.4Å; I31-F223 HydrophobicContact CD1-CD2 4.18Å; I31-F223 HydrophobicContact CD1-CE1 3.59Å; I31-F223 HydrophobicContact CD1-CE2 4.35Å; I31-F223 HydrophobicContact CD1-CG 3.72Å; I31-F223 HydrophobicContact CD1-CZ 4.08Å; I31-F223 HydrophobicContact CG1-CD1 4.1Å; I31-F223 HydrophobicContact CG1-CD2 4.09Å; I31-F223 HydrophobicContact CG1-CE1 3.98Å; I31-F223 HydrophobicContact CG1-CE2 3.98Å; I31-F223 HydrophobicContact CG1-CG 4.15Å; I31-F223 HydrophobicContact CG1-CZ 3.93Å; I31-F223 HydrophobicContact CG2-CB 4.31Å; I31-F223 HydrophobicContact CG2-CD2 3.68Å; I31-F223 HydrophobicContact CG2-CE2 4.2Å; I31-F223 HydrophobicContact CG2-CG 3.98Å
32	W	98.9	Very high	98.6	Very high	13 Å²	13	41.2 Å²	41.2	5%	0.049	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	161.2	176	70.7	100.3	0	0	0	112.5	L40 R41 C42 K43 F62 T67 L79 V101	W32-L40 WeakPolarHBondContact O-CA 3.44Å; W32-R41 HydrophobicContact CD2-CB 3.76Å; W32-R41 HydrophobicContact CE3-CB 4.15Å; W32-R41 HydrophobicContact CG-CB 4.4Å; W32-R41 HydrophobicContact CH2-CB 3.76Å; W32-R41 HydrophobicContact CZ2-CB 3.35Å; W32-R41 HydrophobicContact CZ2-CG 4.12Å; W32-R41 HydrophobicContact CZ3-CB 4.15Å; W32-R41 PolarHBondContact N-O 3.35Å; W32-R41 PolarHBondContact O-N 3.12Å; W32-C42 VanDerWaalsContact CZ3-CA 3.47Å; W32-K43 HydrophobicContact CH2-CG 4.22Å; W32-K43 HydrophobicContact CZ3-CG 4.04Å; W32-F62 AromaticContact CD1-CZ 3.9Å; W32-F62 HydrophobicContact CZ2-CB 4.31Å; W32-F62 HydrophobicContact CZ2-CD1 4.43Å; W32-F62 AromaticContact CZ2-CD2 3.89Å; W32-F62 HydrophobicContact CZ2-CD2 3.89Å; W32-F62 HydrophobicContact CZ2-CE2 4.33Å; W32-F62 AromaticContact CZ2-CG 3.94Å; W32-F62 HydrophobicContact CZ2-CG 3.94Å; W32-F62 AromaticContact NE1-CD2 3.95Å; W32-F62 AromaticContact NE1-CE1 3.96Å; W32-F62 AromaticContact NE1-CE2 3.48Å; W32-F62 AromaticContact NE1-CZ 3.48Å; W32-T67 HydrophobicContact CZ2-CG2 4.43Å; W32-L79 HydrophobicContact CB-CD2 3.7Å; W32-L79 HydrophobicContact CD2-CD1 4.32Å; W32-L79 HydrophobicContact CD2-CD2 3.8Å; W32-L79 HydrophobicContact CE3-CD1 3.85Å; W32-L79 HydrophobicContact CE3-CD2 4.06Å; W32-L79 HydrophobicContact CG-CD2 3.65Å; W32-L79 HydrophobicContact CZ3-CD1 4.06Å; W32-V101 HydrophobicContact CB-CG2 3.75Å; W32-V101 HydrophobicContact CG-CG2 4.07Å
33	I	98.9	Very high	98.6	Very high	16 Å²	16	40.7 Å²	40.7	8%	0.082	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	132.1	176.1	-55	163.7	0	0	0	108.5	G39 L40 Q69 W219 F349	I33-G39 WeakPolarHBondContact CA-O 3.43Å; I33-L40 HydrophobicContact CG1-CD2 4.19Å; I33-Q69 PolarHBondContact O-NE2 3.15Å; I33-Q69 VanDerWaalsContact O-NE2 3.11Å; I33-W219 HydrophobicContact CD1-CD2 3.95Å; I33-W219 VanDerWaalsContact CD1-CE2 3.45Å; I33-W219 HydrophobicContact CD1-CG 4.28Å; I33-W219 HydrophobicContact CD1-CH2 4.43Å; I33-W219 HydrophobicContact CD1-CZ2 3.73Å; I33-W219 HydrophobicContact CG1-CD2 4.12Å; I33-W219 HydrophobicContact CG1-CE3 4.36Å; I33-W219 HydrophobicContact CG1-CH2 4.39Å; I33-W219 HydrophobicContact CG1-CZ2 4.16Å; I33-W219 HydrophobicContact CG1-CZ3 4.48Å; I33-W219 HydrophobicContact CG2-CH2 4.41Å; I33-F349 HydrophobicContact CD1-CD2 4.46Å; I33-F349 HydrophobicContact CD1-CE2 4.24Å
34	D	97.9	Very high	98.6	Very high	9 Å²	9	40 Å²	40	5%	0.048	21%	0.21	C	C	.	.			trans	-82.8	-173.3	179.2	76.6	15.6	0	0	0	113.4	T36 G37 G39 R41 T111	D34-T36 PolarHBondContact O-N 3.19Å; D34-T36 VanDerWaalsContact OD1-CB 3.32Å; D34-T36 WeakPolarHBondContact OD1-CB 3.19Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.5Å; D34-T36 PolarHBondContact OD1-N 2.9Å; D34-T36 PolarHBondContact OD1-OG1 3.43Å; D34-G37 PolarHBondContact O-N 3.34Å; D34-G39 PolarHBondContact N-O 3.42Å; D34-R41 HydrophobicContact CB-CG 3.8Å; D34-R41 IonicContact OD2-CZ 3.5Å; D34-R41 IonicContact OD2-NE 3.87Å; D34-R41 PolarHBondContact OD2-NE 2.68Å; D34-R41 IonicContact OD2-NH2 3.95Å; D34-R41 PolarHBondContact OD2-NH2 3.31Å; D34-T111 WeakPolarHBondContact O-CB 3.37Å; D34-T111 WeakPolarHBondContact O-CG2 3.48Å; D34-T111 PolarHBondContact O-OG1 3.26Å
35	G	98.1	Very high	98.7	Very high	25 Å²	25	35.5 Å²	35.5	26%	0.258	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.7	-176.3	0	0	0	0	0	114.7	T67 L68 Q69	G35-T67 PolarHBondContact N-O 3.19Å; G35-L68 WeakPolarHBondContact CA-O 3.36Å; G35-Q69 VanDerWaalsContact N-CG 3.3Å
36	T	98.2	Very high	98.7	Very high	59 Å²	59	35 Å²	35	36%	0.362	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-22.2	173.6	67	0	0	0	0	112.6	D34 E38 G39 L68	D34-T36 PolarHBondContact O-N 3.19Å; D34-T36 VanDerWaalsContact OD1-CB 3.32Å; D34-T36 WeakPolarHBondContact OD1-CB 3.19Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.5Å; D34-T36 PolarHBondContact OD1-N 2.9Å; D34-T36 PolarHBondContact OD1-OG1 3.43Å; T36-E38 PolarHBondContact O-N 2.91Å; T36-E38 PolarHBondContact OG1-N 3.4Å; T36-E38 VanDerWaalsContact OG1-N 3.07Å; T36-G39 PolarHBondContact OG1-N 2.92Å; T36-L68 HydrophobicContact CG2-CD1 3.78Å
37	G	98.4	Very high	98.7	Very high	7 Å²	7	36 Å²	36	7%	0.072	20%	0.196	C	C	.	.	S	Bend	trans	74.8	0.9	-169.2	0	0	0	0	0	114	D34 W219	D34-G37 PolarHBondContact O-N 3.34Å; G37-W219 WeakPolarHBondContact O-CH2 3.45Å
38	E	98.6	Very high	98.7	Very high	63 Å²	63	38.7 Å²	38.7	29%	0.294	21%	0.213	S	C	.	.	S	Bend	trans	-117.2	-43.7	-179.9	-65.8	-176.3	-98.2	0	0	111.5	T36 P290 K291 N345	T36-E38 PolarHBondContact O-N 2.91Å; T36-E38 PolarHBondContact OG1-N 3.4Å; T36-E38 VanDerWaalsContact OG1-N 3.07Å; E38-P290 HydrophobicContact CG-CB 4.13Å; E38-P290 HydrophobicContact CG-CG 3.68Å; E38-K291 IonicContact OE1-NZ 3.65Å; E38-N345 WeakPolarHBondContact OE2-CB 3.34Å; E38-N345 PolarHBondContact OE2-ND2 3.31Å
39	G	98.3	Very high	98.6	Very high	23 Å²	23	42.6 Å²	42.6	24%	0.237	24%	0.24	C	C	.	.			trans	-74	142.9	-176.3	0	0	0	0	0	113.6	I33 D34 T36	I33-G39 WeakPolarHBondContact CA-O 3.43Å; D34-G39 PolarHBondContact N-O 3.42Å; T36-G39 PolarHBondContact OG1-N 2.92Å
40	L	98.9	Very high	98.6	Very high	30 Å²	30	44.9 Å²	44.9	16%	0.157	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	140.6	172.5	-72.8	163.4	0	0	0	110.7	I31 W32 I33 W219 R222 F223	I31-L40 HydrophobicContact CG2-CD2 3.98Å; W32-L40 WeakPolarHBondContact O-CA 3.44Å; I33-L40 HydrophobicContact CG1-CD2 4.19Å; L40-W219 HydrophobicContact CD1-CE3 4.09Å; L40-W219 HydrophobicContact CD1-CZ3 4.42Å; L40-W219 HydrophobicContact CD2-CE3 3.84Å; L40-W219 HydrophobicContact CD2-CZ3 4.26Å; L40-W219 HydrophobicContact CG-CE3 4.08Å; L40-W219 HydrophobicContact CG-CZ3 4.17Å; L40-R222 HydrophobicContact CD1-CB 4.21Å; L40-F223 HydrophobicContact CB-CD2 4.33Å; L40-F223 HydrophobicContact CD1-CB 3.83Å; L40-F223 HydrophobicContact CD1-CD2 4.38Å
41	R	98.8	Very high	98.6	Very high	82 Å²	82	45.2 Å²	45.2	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	155.9	175.7	-55	-64.1	-178.1	106	4.3	109.5	I31 W32 D34 S66 T67	I31-R41 WeakPolarHBondContact CA-O 3.38Å; W32-R41 HydrophobicContact CD2-CB 3.76Å; W32-R41 HydrophobicContact CE3-CB 4.15Å; W32-R41 HydrophobicContact CG-CB 4.4Å; W32-R41 HydrophobicContact CH2-CB 3.76Å; W32-R41 HydrophobicContact CZ2-CB 3.35Å; W32-R41 HydrophobicContact CZ2-CG 4.12Å; W32-R41 HydrophobicContact CZ3-CB 4.15Å; W32-R41 PolarHBondContact N-O 3.35Å; W32-R41 PolarHBondContact O-N 3.12Å; D34-R41 HydrophobicContact CB-CG 3.8Å; D34-R41 IonicContact OD2-CZ 3.5Å; D34-R41 IonicContact OD2-NE 3.87Å; D34-R41 PolarHBondContact OD2-NE 2.68Å; D34-R41 IonicContact OD2-NH2 3.95Å; D34-R41 PolarHBondContact OD2-NH2 3.31Å; R41-S66 PolarHBondContact NH1-O 2.78Å; R41-T67 HydrophobicContact CG-CG2 4.33Å
42	C	98.9	Very high	98.5	Very high	53 Å²	53	52.2 Å²	52.2	36%	0.358	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	159.5	173.4	69.4	0	0	0	0	113.5	M29 Y30 I31 W32 F223	M29-C42 HydrophobicContact CG-CB 3.92Å; M29-C42 HydrophobicContact SD-CB 4.17Å; Y30-C42 CarbonylContact O-C 3.59Å; Y30-C42 WeakPolarHBondContact O-CA 3.37Å; Y30-C42 WeakPolarHBondContact O-CB 3.25Å; I31-C42 HydrophobicContact CG1-CB 4.24Å; W32-C42 VanDerWaalsContact CZ3-CA 3.47Å; C42-F223 HydrophobicContact CB-CE2 3.78Å; C42-F223 HydrophobicContact CB-CZ 3.95Å
43	K	98.8	Very high	98.5	Very high	63 Å²	63	53.8 Å²	53.8	27%	0.274	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	162.8	166	62.7	175.1	-177.4	169.2	0	111	M29 Y30 W32 W60 N61	M29-K43 CarbonylContact C-O 3.56Å; M29-K43 WeakPolarHBondContact CA-O 3.23Å; Y30-K43 PolarHBondContact N-O 2.66Å; Y30-K43 PolarHBondContact O-N 3Å; W32-K43 HydrophobicContact CH2-CG 4.22Å; W32-K43 HydrophobicContact CZ3-CG 4.04Å; K43-W60 HydrophobicContact CB-CH2 4.47Å; K43-W60 HydrophobicContact CD-CH2 3.78Å; K43-W60 HydrophobicContact CD-CZ2 3.93Å; K43-W60 HydrophobicContact CD-CZ3 4.11Å; K43-W60 VanDerWaalsContact CE-CE2 3.49Å; K43-W60 HydrophobicContact CG-CE3 4.3Å; K43-W60 HydrophobicContact CG-CH2 3.74Å; K43-W60 HydrophobicContact CG-CZ2 4.4Å; K43-W60 HydrophobicContact CG-CZ3 3.72Å; K43-N61 VanDerWaalsContact CE-O 3.3Å; K43-N61 WeakPolarHBondContact CE-O 3.47Å; K43-N61 PolarHBondContact NZ-O 3.14Å
44	T	98.9	Very high	98.4	Very high	47 Å²	47	54.6 Å²	54.6	29%	0.288	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.2	-172.6	-61.1	0	0	0	0	112	Q27 A28 W60 R90	Q27-T44 HydrophobicContact CB-CG2 3.9Å; A28-T44 WeakPolarHBondContact O-CA 3.36Å; T44-W60 VanDerWaalsContact C-CH2 3.46Å; T44-W60 WeakPolarHBondContact O-CH2 3.48Å; T44-R90 PolarHBondContact OG1-NH1 3.27Å; T44-R90 PolarHBondContact OG1-NH2 3.48Å
45	R	98.8	Very high	98.4	Very high	75 Å²	75	61.4 Å²	61.4	28%	0.283	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	159.2	165.3	64	-173.8	-59.3	158.7	1.3	111.5	A28 Y30 L47 W60	A28-R45 HydrophobicContact CB-CG 4.36Å; A28-R45 PolarHBondContact N-O 2.86Å; A28-R45 PolarHBondContact O-N 2.88Å; Y30-R45 HydrophobicContact CE2-CG 4.08Å; R45-L47 HydrophobicContact CG-CD2 4.29Å; R45-W60 HydrophobicContact CB-CE3 4.3Å; R45-W60 HydrophobicContact CB-CH2 3.49Å; R45-W60 VanDerWaalsContact CB-CH2 3.49Å; R45-W60 HydrophobicContact CB-CZ2 4.01Å; R45-W60 HydrophobicContact CB-CZ3 3.62Å; R45-W60 HydrophobicContact CG-CE3 4.13Å; R45-W60 HydrophobicContact CG-CH2 4.17Å; R45-W60 HydrophobicContact CG-CZ3 3.76Å
46	T	98.8	Very high	98.5	Very high	92 Å²	92	65.3 Å²	65.3	56%	0.564	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.7	138.6	168.8	-48.8	0	0	0	0	109.9	K25 V26	K25-T46 HydrophobicContact CB-CG2 3.77Å; K25-T46 HydrophobicContact CD-CG2 4.27Å; K25-T46 HydrophobicContact CG-CG2 4.2Å; V26-T46 CarbonylContact O-C 3.56Å; V26-T46 WeakPolarHBondContact O-CA 3.18Å
47	L	98.8	Very high	98.5	Very high	21 Å²	21	63 Å²	63	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	153.5	168.3	-55.7	178.9	0	0	0	109	V26 A28 R45 S49 P51 L57 P58	V26-L47 HydrophobicContact CB-CB 4.36Å; V26-L47 PolarHBondContact N-O 2.87Å; V26-L47 PolarHBondContact O-N 3.32Å; A28-L47 HydrophobicContact CB-CD1 3.82Å; A28-L47 HydrophobicContact CB-CG 4.11Å; R45-L47 HydrophobicContact CG-CD2 4.29Å; L47-S49 VanDerWaalsContact C-N 3.32Å; L47-P51 HydrophobicContact CD1-CG 3.89Å; L47-L57 HydrophobicContact CD1-CD2 3.83Å; L47-P58 HydrophobicContact CD2-CG 4.21Å
48	D	98.5	Very high	98.5	Very high	122 Å²	122	64.9 Å²	64.9	65%	0.652	34%	0.34	S	S	*	.	S	Bend	trans	-73.8	-25.3	-178.6	-67.7	-48.8	0	0	0	113.4	K25	K25-D48 IonicContact NZ-OD1 2.75Å; K25-D48 PolarHBondContact NZ-OD1 3.17Å
49	S	98.1	Very high	98.5	Very high	82 Å²	82	66.1 Å²	66.1	57%	0.573	35%	0.346	S	S	*	.	S	Bend	trans	-151.4	169.8	178.3	58.9	0	0	0	0	111.1	V26 L47 P51	V26-S49 VanDerWaalsContact CG2-C 3.49Å; L47-S49 VanDerWaalsContact C-N 3.32Å; S49-P51 WeakPolarHBondContact O-CD 3.41Å
50	E	98.6	Very high	98.5	Very high	60 Å²	60	67.4 Å²	67.4	28%	0.28	34%	0.344	S	S	.	.			trans	-70.2	120.3	176.9	-172.7	-170.4	-155.7	0	0	111.2	V26 K52 P93 K95	V26-E50 HydrophobicContact CG2-CB 4.1Å; E50-K52 IonicContact OE2-NZ 2.84Å; E50-K52 PolarHBondContact OE2-NZ 3.23Å; E50-P93 HydrophobicContact CB-CB 4.01Å; E50-P93 HydrophobicContact CG-CB 3.91Å; E50-K95 IonicContact OE1-NZ 2.63Å; E50-K95 PolarHBondContact OE1-NZ 3.14Å
51	P	98.4	Very high	98.5	Very high	7 Å²	7	69.2 Å²	69.2	5%	0.045	35%	0.354	C	S	.	.			trans	-69.7	138.3	176.4	30	-34.9	0	0	0	110.7	L47 S49 E56 L57 M84 K95	L47-P51 HydrophobicContact CD1-CG 3.89Å; S49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-E56 VanDerWaalsContact CA-OE2 3.31Å; P51-E56 WeakPolarHBondContact CA-OE2 3.44Å; P51-E56 HydrophobicContact CB-CB 4.13Å; P51-L57 HydrophobicContact CB-CD2 4.1Å; P51-L57 HydrophobicContact CB-CG 4.37Å; P51-L57 HydrophobicContact CG-CD2 3.81Å; P51-L57 HydrophobicContact CG-CG 4.48Å; P51-M84 HydrophobicContact CB-SD 4.22Å; P51-M84 HydrophobicContact CG-SD 3.75Å; P51-K95 HydrophobicContact CG-CG 3.88Å
52	K	97.7	Very high	98.5	Very high	147 Å²	147	65.9 Å²	65.9	64%	0.639	34%	0.341	S	S	*	.	S	Bend	trans	-93.1	-25.8	-178.4	-58.9	-55.5	177.6	-172.2	0	113.5	E50 E56	E50-K52 IonicContact OE2-NZ 2.84Å; E50-K52 PolarHBondContact OE2-NZ 3.23Å; K52-E56 PolarHBondContact N-OE2 3.28Å
53	C	97.8	Very high	98.4	Very high	46 Å²	46	66.1 Å²	66.1	31%	0.311	34%	0.339	S	S	.	.	S	Bend	trans	-142.6	171.6	174.6	66.4	0	0	0	0	111.4	E55 E56	C53-E55 WeakPolarHBondContact CB-OE2 3.38Å; C53-E55 PolarHBondContact O-N 3.28Å; C53-E55 PolarHBondContact SG-OE2 3.46Å; C53-E56 PolarHBondContact O-N 3.4Å
54	V	97.9	Very high	98.4	Very high	34 Å²	34	63.1 Å²	63.1	21%	0.206	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-68.4	-27.9	-176.6	67.6	0	0	0	0	111.6	E56 L57 P81	V54-E56 VanDerWaalsContact C-N 3.26Å; V54-E56 PolarHBondContact O-N 2.85Å; V54-L57 HydrophobicContact CG2-CD1 4.18Å; V54-L57 WeakPolarHBondContact O-CB 3.46Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-L57 VanDerWaalsContact O-N 3.16Å; V54-P81 HydrophobicContact CG2-CB 3.77Å
55	E	98	Very high	98.3	Very high	151 Å²	151	63.5 Å²	63.5	71%	0.706	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-70.6	-19.7	-179.5	-59.4	74.2	-162.7	0	0	113.1	C53 L57	C53-E55 WeakPolarHBondContact CB-OE2 3.38Å; C53-E55 PolarHBondContact O-N 3.28Å; C53-E55 PolarHBondContact SG-OE2 3.46Å; E55-L57 VanDerWaalsContact C-N 3.27Å
56	E	98.4	Very high	98.2	Very high	107 Å²	107	63.7 Å²	63.7	50%	0.5	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-79.2	-10.5	173.9	-71.6	177.4	-165.5	0	0	112.8	P51 K52 C53 V54	P51-E56 VanDerWaalsContact CA-OE2 3.31Å; P51-E56 WeakPolarHBondContact CA-OE2 3.44Å; P51-E56 HydrophobicContact CB-CB 4.13Å; K52-E56 PolarHBondContact N-OE2 3.28Å; C53-E56 PolarHBondContact O-N 3.4Å; V54-E56 VanDerWaalsContact C-N 3.26Å; V54-E56 PolarHBondContact O-N 2.85Å
57	L	98.7	Very high	98.1	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	32%	0.318	C	S	.	.	S	Bend	trans	-82.1	130.3	179.4	-67.2	164.9	0	0	0	110.4	A28 L47 P51 V54 E55 P81 M84 V97	A28-L57 HydrophobicContact CB-CD2 4.5Å; L47-L57 HydrophobicContact CD1-CD2 3.83Å; P51-L57 HydrophobicContact CB-CD2 4.1Å; P51-L57 HydrophobicContact CB-CG 4.37Å; P51-L57 HydrophobicContact CG-CD2 3.81Å; P51-L57 HydrophobicContact CG-CG 4.48Å; V54-L57 HydrophobicContact CG2-CD1 4.18Å; V54-L57 WeakPolarHBondContact O-CB 3.46Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-L57 VanDerWaalsContact O-N 3.16Å; E55-L57 VanDerWaalsContact C-N 3.27Å; L57-P81 HydrophobicContact CB-CB 3.91Å; L57-P81 HydrophobicContact CB-CG 3.67Å; L57-P81 HydrophobicContact CD1-CB 4.12Å; L57-M84 HydrophobicContact CD1-CB 4.21Å; L57-M84 HydrophobicContact CD1-CG 4.23Å; L57-M84 HydrophobicContact CD1-SD 3.81Å; L57-M84 HydrophobicContact CD2-SD 4.5Å; L57-M84 HydrophobicContact CG-SD 4.32Å; L57-V97 HydrophobicContact CD1-CB 4.25Å; L57-V97 HydrophobicContact CD1-CG1 3.65Å; L57-V97 HydrophobicContact CD1-CG2 3.57Å; L57-V97 HydrophobicContact CD2-CG2 4Å; L57-V97 HydrophobicContact CG-CG2 4.44Å
58	P	98.6	Very high	98	Very high	45 Å²	45	64.7 Å²	64.7	29%	0.292	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-69.3	147.3	177.5	28.2	-34.9	0	0	0	111.4	Y30 L47	Y30-P58 WeakPolarHBondContact CE1-O 3.4Å; Y30-P58 WeakPolarHBondContact OH-CD 3.49Å; Y30-P58 PolarHBondContact OH-O 3.22Å; L47-P58 HydrophobicContact CD2-CG 4.21Å
59	E	98.7	Very high	97.9	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.421	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-57.3	155.6	160.6	-66	-172.7	165.2	0	0	110.3	L79 V80 R106	E59-L79 WeakPolarHBondContact CA-O 3.44Å; E59-V80 HydrophobicContact CG-CG2 4.31Å; E59-R106 IonicContact OE1-CZ 2.84Å; E59-R106 IonicContact OE1-NH1 3.26Å; E59-R106 PolarHBondContact OE1-NH1 3.09Å; E59-R106 IonicContact OE1-NH2 3.65Å; E59-R106 PolarHBondContact OE1-NH2 3.21Å; E59-R106 IonicContact OE2-CZ 3.75Å; E59-R106 IonicContact OE2-NH1 3.4Å; E59-R106 IonicContact OE2-NH2 2.76Å; E59-R106 PolarHBondContact OE2-NH2 3.07Å
60	W	98.6	Very high	97.6	Very high	50 Å²	50	57.5 Å²	57.5	19%	0.189	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	-179.3	175.5	-153.8	-0.5	0	0	0	110.6	Y30 K43 T44 R45 Y78 L79	Y30-W60 HydrophobicContact CD1-CB 4.24Å; Y30-W60 AromaticContact CD1-CE3 4Å; Y30-W60 HydrophobicContact CD1-CE3 4Å; Y30-W60 AromaticContact CD2-CE3 3.87Å; Y30-W60 HydrophobicContact CD2-CE3 3.87Å; Y30-W60 HydrophobicContact CD2-CZ3 4.07Å; Y30-W60 HydrophobicContact CE1-CB 4.13Å; Y30-W60 HydrophobicContact CE1-CE3 4.36Å; Y30-W60 HydrophobicContact CE2-CE3 4.26Å; Y30-W60 AromaticContact CG-CE3 3.76Å; Y30-W60 HydrophobicContact CG-CE3 3.76Å; Y30-W60 HydrophobicContact CG-CZ3 4.23Å; K43-W60 HydrophobicContact CB-CH2 4.47Å; K43-W60 HydrophobicContact CD-CH2 3.78Å; K43-W60 HydrophobicContact CD-CZ2 3.93Å; K43-W60 HydrophobicContact CD-CZ3 4.11Å; K43-W60 VanDerWaalsContact CE-CE2 3.49Å; K43-W60 HydrophobicContact CG-CE3 4.3Å; K43-W60 HydrophobicContact CG-CH2 3.74Å; K43-W60 HydrophobicContact CG-CZ2 4.4Å; K43-W60 HydrophobicContact CG-CZ3 3.72Å; T44-W60 VanDerWaalsContact C-CH2 3.46Å; T44-W60 WeakPolarHBondContact O-CH2 3.48Å; R45-W60 HydrophobicContact CB-CE3 4.3Å; R45-W60 HydrophobicContact CB-CH2 3.49Å; R45-W60 VanDerWaalsContact CB-CH2 3.49Å; R45-W60 HydrophobicContact CB-CZ2 4.01Å; R45-W60 HydrophobicContact CB-CZ3 3.62Å; R45-W60 HydrophobicContact CG-CE3 4.13Å; R45-W60 HydrophobicContact CG-CH2 4.17Å; R45-W60 HydrophobicContact CG-CZ3 3.76Å; W60-Y78 CarbonylContact O-C 3.57Å; W60-Y78 WeakPolarHBondContact O-CA 3.43Å; W60-L79 HydrophobicContact CB-CB 4.35Å; W60-L79 HydrophobicContact CB-CD1 4.5Å; W60-L79 PolarHBondContact N-O 3.03Å; W60-L79 PolarHBondContact O-N 2.83Å
61	N	98.4	Very high	97	Very high	67 Å²	67	62.6 Å²	62.6	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	164.1	-178.6	71.4	-62.7	0	0	0	110.8	K43 M77 Y78	K43-N61 VanDerWaalsContact CE-O 3.3Å; K43-N61 WeakPolarHBondContact CE-O 3.47Å; K43-N61 PolarHBondContact NZ-O 3.14Å; N61-M77 CarbonylContact C-O 3.45Å; N61-M77 WeakPolarHBondContact CA-O 3.44Å; N61-M77 VanDerWaalsContact CB-O 3.29Å; N61-M77 WeakPolarHBondContact CB-O 3.09Å; N61-Y78 HydrophobicContact CB-CD1 4.37Å
62	F	98.4	Very high	96.2	Very high	12 Å²	12	65.4 Å²	65.4	5%	0.053	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	167.5	171.8	67.4	-77.6	0	0	0	110.1	W32 G64 T67 M77 L79 V101	W32-F62 AromaticContact CD1-CZ 3.9Å; W32-F62 HydrophobicContact CZ2-CB 4.31Å; W32-F62 HydrophobicContact CZ2-CD1 4.43Å; W32-F62 AromaticContact CZ2-CD2 3.89Å; W32-F62 HydrophobicContact CZ2-CD2 3.89Å; W32-F62 HydrophobicContact CZ2-CE2 4.33Å; W32-F62 AromaticContact CZ2-CG 3.94Å; W32-F62 HydrophobicContact CZ2-CG 3.94Å; W32-F62 AromaticContact NE1-CD2 3.95Å; W32-F62 AromaticContact NE1-CE1 3.96Å; W32-F62 AromaticContact NE1-CE2 3.48Å; W32-F62 AromaticContact NE1-CZ 3.48Å; F62-G64 PolarHBondContact O-N 2.89Å; F62-T67 HydrophobicContact CD2-CG2 3.96Å; F62-T67 HydrophobicContact CE2-CG2 3.87Å; F62-T67 WeakPolarHBondContact CE2-OG1 3.25Å; F62-M77 HydrophobicContact CD1-CB 4.13Å; F62-M77 HydrophobicContact CE1-CB 3.57Å; F62-M77 HydrophobicContact CE2-CB 4.13Å; F62-M77 HydrophobicContact CE2-SD 4.07Å; F62-M77 HydrophobicContact CZ-CB 3.58Å; F62-M77 HydrophobicContact CZ-CG 4.23Å; F62-M77 HydrophobicContact CZ-SD 3.77Å; F62-M77 PolarHBondContact N-O 3.18Å; F62-M77 PolarHBondContact O-N 3.17Å; F62-L79 HydrophobicContact CD1-CD1 3.99Å; F62-L79 HydrophobicContact CD1-CD2 3.74Å; F62-L79 HydrophobicContact CD1-CG 3.64Å; F62-L79 HydrophobicContact CE1-CD2 3.49Å; F62-L79 VanDerWaalsContact CE1-CD2 3.49Å; F62-L79 HydrophobicContact CE1-CG 3.88Å; F62-V101 HydrophobicContact CE1-CG1 3.89Å; F62-V101 HydrophobicContact CZ-CG1 3.68Å
63	D	97.7	Very high	95.4	Very high	59 Å²	59	63.3 Å²	63.3	32%	0.316	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	105.8	174.9	170.3	30	0	0	0	110.5	S65 S66 S75	D63-S65 VanDerWaalsContact CG-OG 3.25Å; D63-S65 PolarHBondContact O-N 3.39Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.37Å; D63-S65 VanDerWaalsContact OD1-N 3.1Å; D63-S65 PolarHBondContact OD1-OG 3.13Å; D63-S65 PolarHBondContact OD2-OG 3.06Å; D63-S65 VanDerWaalsContact OD2-OG 3.09Å; D63-S66 PolarHBondContact O-N 3.02Å; D63-S66 PolarHBondContact OD2-OG 3.11Å; D63-S75 WeakPolarHBondContact OD1-CB 3.23Å; D63-S75 PolarHBondContact OD1-OG 3.15Å
64	G	97.7	Very high	94.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-68.9	-18.1	-179.9	0	0	0	0	0	114.4	F62 S66 T67 L68 Q69 S70 S75	F62-G64 PolarHBondContact O-N 2.89Å; G64-S66 PolarHBondContact O-N 3.01Å; G64-T67 WeakPolarHBondContact CA-OG1 3.46Å; G64-T67 PolarHBondContact O-N 3Å; G64-T67 PolarHBondContact O-OG1 2.96Å; G64-T67 VanDerWaalsContact O-OG1 3.06Å; G64-L68 PolarHBondContact O-N 3.47Å; G64-Q69 PolarHBondContact O-N 2.74Å; G64-S70 VanDerWaalsContact CA-OG 3.32Å; G64-S70 WeakPolarHBondContact CA-OG 3.33Å; G64-S70 PolarHBondContact O-N 3.32Å; G64-S75 WeakPolarHBondContact CA-O 3.29Å; G64-S75 PolarHBondContact N-O 3.28Å
65	S	96.6	Very high	94.7	Very high	54 Å²	54	64.8 Å²	64.8	38%	0.378	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-69.7	-27.6	177.5	72.7	0	0	0	0	111.2	D63 T67 S70	D63-S65 VanDerWaalsContact CG-OG 3.25Å; D63-S65 PolarHBondContact O-N 3.39Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.37Å; D63-S65 VanDerWaalsContact OD1-N 3.1Å; D63-S65 PolarHBondContact OD1-OG 3.13Å; D63-S65 PolarHBondContact OD2-OG 3.06Å; D63-S65 VanDerWaalsContact OD2-OG 3.09Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 2.82Å; S65-S70 VanDerWaalsContact CA-O 3.31Å; S65-S70 WeakPolarHBondContact CA-O 3.03Å; S65-S70 PolarHBondContact N-OG 2.95Å
66	S	97.4	Very high	94.6	Very high	79 Å²	79	61.8 Å²	61.8	55%	0.552	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-81.9	1.4	175.5	-64.7	0	0	0	0	113.8	R41 D63 G64	R41-S66 PolarHBondContact NH1-O 2.78Å; D63-S66 PolarHBondContact O-N 3.02Å; D63-S66 PolarHBondContact OD2-OG 3.11Å; G64-S66 PolarHBondContact O-N 3.01Å
67	T	97.5	Very high	94.6	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.031	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-131.7	12.8	-175.5	65.2	0	0	0	0	113.9	W32 G35 R41 F62 G64 S65 Q69	W32-T67 HydrophobicContact CZ2-CG2 4.43Å; G35-T67 PolarHBondContact N-O 3.19Å; R41-T67 HydrophobicContact CG-CG2 4.33Å; F62-T67 HydrophobicContact CD2-CG2 3.96Å; F62-T67 HydrophobicContact CE2-CG2 3.87Å; F62-T67 WeakPolarHBondContact CE2-OG1 3.25Å; G64-T67 WeakPolarHBondContact CA-OG1 3.46Å; G64-T67 PolarHBondContact O-N 3Å; G64-T67 PolarHBondContact O-OG1 2.96Å; G64-T67 VanDerWaalsContact O-OG1 3.06Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 2.82Å; T67-Q69 VanDerWaalsContact C-N 3.32Å; T67-Q69 PolarHBondContact OG1-OE1 3.41Å
68	L	96.6	Very high	94.6	Very high	130 Å²	130	60 Å²	60	68%	0.681	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	30.1	-175.8	-51.8	174	0	0	0	113.8	G35 T36 G64	G35-L68 WeakPolarHBondContact CA-O 3.36Å; T36-L68 HydrophobicContact CG2-CD1 3.78Å; G64-L68 PolarHBondContact O-N 3.47Å
69	Q	96.2	Very high	94.6	Very high	18 Å²	18	57.9 Å²	57.9	8%	0.084	33%	0.329	C	S	.	.	S	Bend	trans	-119.3	-9.1	-173.9	-66.4	174.8	-68.3	0	0	114.6	I33 G35 G64 T67 M77 T111	I33-Q69 PolarHBondContact O-NE2 3.15Å; I33-Q69 VanDerWaalsContact O-NE2 3.11Å; G35-Q69 VanDerWaalsContact N-CG 3.3Å; G64-Q69 PolarHBondContact O-N 2.74Å; T67-Q69 VanDerWaalsContact C-N 3.32Å; T67-Q69 PolarHBondContact OG1-OE1 3.41Å; Q69-M77 HydrophobicContact CB-CE 3.91Å; Q69-M77 HydrophobicContact CB-SD 3.27Å; Q69-M77 WeakPolarHBondContact CB-SD 3.37Å; Q69-M77 HydrophobicContact CG-SD 4.28Å; Q69-T111 PolarHBondContact NE2-OG1 3.39Å
70	S	91.5	Very high	94.6	Very high	34 Å²	34	55.4 Å²	55.4	24%	0.238	32%	0.32	C	S	.	.			trans	-156.4	154.1	178.5	64.7	0	0	0	0	113.2	G64 S65 S75	G64-S70 VanDerWaalsContact CA-OG 3.32Å; G64-S70 WeakPolarHBondContact CA-OG 3.33Å; G64-S70 PolarHBondContact O-N 3.32Å; S65-S70 VanDerWaalsContact CA-O 3.31Å; S65-S70 WeakPolarHBondContact CA-O 3.03Å; S65-S70 PolarHBondContact N-OG 2.95Å; S70-S75 WeakPolarHBondContact OG-CA 3.38Å; S70-S75 WeakPolarHBondContact OG-CB 3.47Å; S70-S75 PolarHBondContact OG-O 3.05Å
71	E	86.1	Confident	94.6	Very high	167 Å²	167	54.1 Å²	54.1	78%	0.78	32%	0.318	S	S	*	.			trans	-80.4	155.5	167.1	-62.4	-179	-175.4	0	0	111.6	S73 N74	E71-S73 VanDerWaalsContact C-N 3.3Å; E71-S73 PolarHBondContact O-N 3.48Å; E71-S73 VanDerWaalsContact O-N 3.12Å; E71-N74 PolarHBondContact O-N 3.22Å
72	G	81.2	Confident	94.6	Very high	66 Å²	66	51.8 Å²	51.8	68%	0.68	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.9	-165.5	0	0	0	0	0	117.1
73	S	81.5	Confident	94.6	Very high	103 Å²	103	51.8 Å²	51.8	72%	0.72	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-82	-12.8	-176.1	57.9	0	0	0	0	114.6	E71	E71-S73 VanDerWaalsContact C-N 3.3Å; E71-S73 PolarHBondContact O-N 3.48Å; E71-S73 VanDerWaalsContact O-N 3.12Å
74	N	87.3	Confident	94.7	Very high	87 Å²	87	51.4 Å²	51.4	47%	0.465	31%	0.307	S	S	.	.	G	3₁₀ helix	trans	-148.6	58.8	174.3	-74	-68	0	0	0	109.9	E71 Y104	E71-N74 PolarHBondContact O-N 3.22Å; N74-Y104 HydrophobicContact CB-CD1 3.7Å; N74-Y104 HydrophobicContact CB-CE1 3.84Å; N74-Y104 HydrophobicContact CB-CG 4.16Å
75	S	93.6	Very high	94.8	Very high	25 Å²	25	52.3 Å²	52.3	18%	0.175	31%	0.311	C	S	.	.			trans	-84.9	-12.9	-168.4	73.3	0	0	0	0	115.3	D63 G64 S70 M77	D63-S75 WeakPolarHBondContact OD1-CB 3.23Å; D63-S75 PolarHBondContact OD1-OG 3.15Å; G64-S75 WeakPolarHBondContact CA-O 3.29Å; G64-S75 PolarHBondContact N-O 3.28Å; S70-S75 WeakPolarHBondContact OG-CA 3.38Å; S70-S75 WeakPolarHBondContact OG-CB 3.47Å; S70-S75 PolarHBondContact OG-O 3.05Å; S75-M77 PolarHBondContact O-N 3.24Å
76	D	95.9	Very high	94.9	Very high	88 Å²	88	54 Å²	54	47%	0.471	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	124.9	176.6	-80.6	-44.2	0	0	0	111.4	Y104	D76-Y104 PolarHBondContact O-N 3.28Å
77	M	98.1	Very high	94.9	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154.7	173.7	-61.2	-168.3	87.5	0	0	110.2	N61 F62 Q69 S75 V101 F102 K103 A109	N61-M77 CarbonylContact C-O 3.45Å; N61-M77 WeakPolarHBondContact CA-O 3.44Å; N61-M77 VanDerWaalsContact CB-O 3.29Å; N61-M77 WeakPolarHBondContact CB-O 3.09Å; F62-M77 HydrophobicContact CD1-CB 4.13Å; F62-M77 HydrophobicContact CE1-CB 3.57Å; F62-M77 HydrophobicContact CE2-CB 4.13Å; F62-M77 HydrophobicContact CE2-SD 4.07Å; F62-M77 HydrophobicContact CZ-CB 3.58Å; F62-M77 HydrophobicContact CZ-CG 4.23Å; F62-M77 HydrophobicContact CZ-SD 3.77Å; F62-M77 PolarHBondContact N-O 3.18Å; F62-M77 PolarHBondContact O-N 3.17Å; Q69-M77 HydrophobicContact CB-CE 3.91Å; Q69-M77 HydrophobicContact CB-SD 3.27Å; Q69-M77 WeakPolarHBondContact CB-SD 3.37Å; Q69-M77 HydrophobicContact CG-SD 4.28Å; S75-M77 PolarHBondContact O-N 3.24Å; M77-V101 HydrophobicContact CB-CG1 4.43Å; M77-V101 HydrophobicContact CE-CG1 3.56Å; M77-V101 HydrophobicContact SD-CG1 4.13Å; M77-F102 CarbonylContact C-O 3.46Å; M77-F102 WeakPolarHBondContact CA-O 3.3Å; M77-F102 WeakPolarHBondContact CB-O 3.41Å; M77-K103 HydrophobicContact CE-CG 3.97Å; M77-A109 HydrophobicContact CE-CB 3.67Å
78	Y	98.6	Very high	95	Very high	79 Å²	79	51.3 Å²	51.3	31%	0.31	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.7	-177.7	-59.9	-78.5	0	0	0	111.8	W60 N61 V101 F102 K103	W60-Y78 CarbonylContact O-C 3.57Å; W60-Y78 WeakPolarHBondContact O-CA 3.43Å; N61-Y78 HydrophobicContact CB-CD1 4.37Å; Y78-V101 WeakPolarHBondContact O-CA 3.41Å; Y78-F102 PolarHBondContact N-O 3.01Å; Y78-F102 PolarHBondContact O-N 2.88Å; Y78-K103 WeakPolarHBondContact CD2-O 3.39Å
79	L	98.9	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.5	170.9	-62.4	173	0	0	0	108.4	Y30 W32 E59 W60 F62 C99 E100 V101	Y30-L79 HydrophobicContact CD1-CB 4.35Å; Y30-L79 HydrophobicContact CD1-CD1 4.4Å; W32-L79 HydrophobicContact CB-CD2 3.7Å; W32-L79 HydrophobicContact CD2-CD1 4.32Å; W32-L79 HydrophobicContact CD2-CD2 3.8Å; W32-L79 HydrophobicContact CE3-CD1 3.85Å; W32-L79 HydrophobicContact CE3-CD2 4.06Å; W32-L79 HydrophobicContact CG-CD2 3.65Å; W32-L79 HydrophobicContact CZ3-CD1 4.06Å; E59-L79 WeakPolarHBondContact CA-O 3.44Å; W60-L79 HydrophobicContact CB-CB 4.35Å; W60-L79 HydrophobicContact CB-CD1 4.5Å; W60-L79 PolarHBondContact N-O 3.03Å; W60-L79 PolarHBondContact O-N 2.83Å; F62-L79 HydrophobicContact CD1-CD1 3.99Å; F62-L79 HydrophobicContact CD1-CD2 3.74Å; F62-L79 HydrophobicContact CD1-CG 3.64Å; F62-L79 HydrophobicContact CE1-CD2 3.49Å; F62-L79 VanDerWaalsContact CE1-CD2 3.49Å; F62-L79 HydrophobicContact CE1-CG 3.88Å; L79-C99 HydrophobicContact CB-CB 3.99Å; L79-C99 HydrophobicContact CD2-CB 3.99Å; L79-E100 WeakPolarHBondContact CA-O 3.35Å; L79-V101 HydrophobicContact CD2-CG2 4.17Å
80	V	98.9	Very high	95.2	Very high	39 Å²	39	48.8 Å²	48.8	24%	0.236	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	117.2	174.6	-179.4	0	0	0	0	108.3	E59 A82 C99 E100 F102	E59-V80 HydrophobicContact CG-CG2 4.31Å; V80-A82 PolarHBondContact O-N 2.83Å; V80-C99 CarbonylContact O-C 3.46Å; V80-C99 VanDerWaalsContact O-CA 3.27Å; V80-C99 WeakPolarHBondContact O-CA 3.37Å; V80-E100 PolarHBondContact N-O 2.83Å; V80-E100 PolarHBondContact O-N 3.42Å; V80-F102 HydrophobicContact CB-CD2 4.15Å; V80-F102 HydrophobicContact CB-CE2 3.85Å; V80-F102 HydrophobicContact CG2-CD2 3.53Å; V80-F102 HydrophobicContact CG2-CE2 3.62Å
81	P	98.9	Very high	95.6	Very high	22 Å²	22	53.4 Å²	53.4	14%	0.143	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.1	131.5	177.3	-29.2	37.1	0	0	0	112.5	Y30 V54 L57 V97	Y30-P81 HydrophobicContact CE1-CG 3.89Å; V54-P81 HydrophobicContact CG2-CB 3.77Å; L57-P81 HydrophobicContact CB-CB 3.91Å; L57-P81 HydrophobicContact CB-CG 3.67Å; L57-P81 HydrophobicContact CD1-CB 4.12Å; P81-V97 HydrophobicContact CB-CG1 3.8Å; P81-V97 HydrophobicContact CG-CG1 4.21Å
82	A	98.8	Very high	96.2	Very high	18 Å²	18	48.7 Å²	48.7	15%	0.149	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-39.9	-172.1	0	0	0	0	0	112.8	V80 L98 E100 R114	V80-A82 PolarHBondContact O-N 2.83Å; A82-L98 WeakPolarHBondContact CB-O 3.48Å; A82-L98 PolarHBondContact N-O 2.85Å; A82-E100 HydrophobicContact CB-CG 4.35Å; A82-R114 VanDerWaalsContact CB-CZ 3.48Å; A82-R114 PolarHBondContact O-NH2 2.98Å
83	A	98.8	Very high	97	Very high	13 Å²	13	47.1 Å²	47.1	11%	0.107	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.3	173.7	0	0	0	0	0	110.3	F85 V97 L98 D216	A83-F85 HydrophobicContact CB-CE2 3.76Å; A83-F85 HydrophobicContact CB-CZ 4.37Å; A83-V97 CarbonylContact O-C 3.5Å; A83-V97 WeakPolarHBondContact O-CA 3.38Å; A83-L98 HydrophobicContact CB-CB 4.26Å; A83-L98 PolarHBondContact N-O 3.28Å; A83-L98 PolarHBondContact O-N 2.98Å; A83-D216 HydrophobicContact CB-CB 4.11Å
84	M	98.8	Very high	97.8	Very high	50 Å²	50	42.2 Å²	42.2	25%	0.246	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135	-177.9	-177.9	173.7	62.5	0	0	110.8	P51 L57 K95 L96	P51-M84 HydrophobicContact CB-SD 4.22Å; P51-M84 HydrophobicContact CG-SD 3.75Å; L57-M84 HydrophobicContact CD1-CB 4.21Å; L57-M84 HydrophobicContact CD1-CG 4.23Å; L57-M84 HydrophobicContact CD1-SD 3.81Å; L57-M84 HydrophobicContact CD2-SD 4.5Å; L57-M84 HydrophobicContact CG-SD 4.32Å; M84-K95 HydrophobicContact CG-CB 4.21Å; M84-K95 HydrophobicContact CG-CD 4.19Å; M84-K95 HydrophobicContact CG-CG 4.32Å; M84-K95 HydrophobicContact SD-CB 4.33Å; M84-K95 HydrophobicContact SD-CD 3.96Å; M84-K95 HydrophobicContact SD-CG 3.92Å; M84-L96 WeakPolarHBondContact CA-O 3.47Å
85	F	98.9	Very high	98.4	Very high	19 Å²	19	38.8 Å²	38.8	8%	0.083	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	161	179.5	-61.2	-91.4	0	0	0	110.4	A83 K95 L96 A186 V188 H217 V220	A83-F85 HydrophobicContact CB-CE2 3.76Å; A83-F85 HydrophobicContact CB-CZ 4.37Å; F85-K95 WeakPolarHBondContact O-CA 3.37Å; F85-L96 HydrophobicContact CB-CB 4.28Å; F85-L96 PolarHBondContact N-O 3.45Å; F85-L96 PolarHBondContact O-N 3.47Å; F85-A186 HydrophobicContact CB-CB 4.43Å; F85-V188 HydrophobicContact CD1-CG2 4.08Å; F85-V188 HydrophobicContact CE1-CG2 4.13Å; F85-H217 AromaticContact CE1-CE1 3.67Å; F85-H217 AromaticContact CE1-ND1 3.67Å; F85-V220 HydrophobicContact CD2-CB 4.28Å; F85-V220 HydrophobicContact CD2-CG1 3.91Å; F85-V220 HydrophobicContact CD2-CG2 3.85Å; F85-V220 HydrophobicContact CE2-CB 4.09Å; F85-V220 HydrophobicContact CE2-CG1 4.21Å; F85-V220 HydrophobicContact CE2-CG2 3.6Å; F85-V220 HydrophobicContact CG-CG1 4.13Å; F85-V220 HydrophobicContact CZ-CB 4.5Å; F85-V220 HydrophobicContact CZ-CG2 4.39Å
86	R	98.9	Very high	98.6	Very high	89 Å²	89	37.6 Å²	37.6	34%	0.336	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.7	170.4	-62.6	165.5	65.8	-154.5	16	109.3	P88 D92 Y185 A186	R86-P88 VanDerWaalsContact O-CD 3.25Å; R86-P88 WeakPolarHBondContact O-CD 3.43Å; R86-D92 IonicContact CZ-OD1 3.06Å; R86-D92 IonicContact CZ-OD2 3.96Å; R86-D92 VanDerWaalsContact CZ-OD2 3.26Å; R86-D92 VanDerWaalsContact NE-CG 3.35Å; R86-D92 IonicContact NE-OD1 2.72Å; R86-D92 PolarHBondContact NE-OD1 3.24Å; R86-D92 IonicContact NE-OD2 2.95Å; R86-D92 PolarHBondContact NE-OD2 3.49Å; R86-D92 IonicContact NH2-OD1 3.19Å; R86-D92 IonicContact NH2-OD2 3.54Å; R86-D92 PolarHBondContact NH2-OD2 2.75Å; R86-Y185 HydrophobicContact CB-CD1 4.16Å; R86-Y185 HydrophobicContact CB-CE1 3.81Å; R86-Y185 WeakPolarHBondContact CD-O 3.35Å; R86-Y185 VanDerWaalsContact CZ-CZ 3.47Å; R86-Y185 PolarHBondContact NH1-O 2.78Å; R86-Y185 PolarHBondContact NH2-OH 2.8Å; R86-A186 PolarHBondContact N-O 2.91Å; R86-A186 WeakPolarHBondContact O-CA 3.36Å; R86-A186 WeakPolarHBondContact O-CB 3.45Å
87	D	98.9	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.162	C	C	.	.			trans	-83.5	110.4	178.5	-172.4	-30.9	0	0	0	110.9	F89 R90 K91 N94 L96	D87-F89 PolarHBondContact O-N 2.76Å; D87-F89 WeakPolarHBondContact OD1-CA 3.36Å; D87-F89 VanDerWaalsContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.27Å; D87-F89 PolarHBondContact OD1-N 2.9Å; D87-R90 HydrophobicContact CB-CB 4.36Å; D87-R90 PolarHBondContact OD1-N 2.87Å; D87-R90 WeakPolarHBondContact OD2-CD 3.42Å; D87-R90 IonicContact OD2-NH1 3.76Å; D87-K91 WeakPolarHBondContact O-CA 3.38Å; D87-K91 PolarHBondContact O-N 3.12Å; D87-N94 HydrophobicContact CB-CB 3.9Å; D87-N94 WeakPolarHBondContact CB-O 3.35Å; D87-N94 PolarHBondContact N-O 2.81Å; D87-L96 HydrophobicContact CB-CD2 4.03Å; D87-L96 HydrophobicContact CB-CG 4.2Å
88	P	98.9	Very high	98.8	Very high	28 Å²	28	33.5 Å²	33.5	18%	0.182	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.6	179.9	32.5	-34.8	0	0	0	113.2	R86 A182 Y185 A186 I224	R86-P88 VanDerWaalsContact O-CD 3.25Å; R86-P88 WeakPolarHBondContact O-CD 3.43Å; P88-A182 HydrophobicContact CB-CB 3.74Å; P88-A182 HydrophobicContact CG-CB 3.91Å; P88-Y185 HydrophobicContact CB-CD1 3.97Å; P88-A186 HydrophobicContact CG-CB 4.48Å; P88-I224 HydrophobicContact CG-CD1 4.34Å; P88-I224 HydrophobicContact CG-CG1 4.39Å
89	F	98.8	Very high	98.8	Very high	39 Å²	39	30.1 Å²	30.1	17%	0.171	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-28.7	-179.4	-47.8	-70.8	0	0	0	112.1	M18 D87 L96 F223 I224 R227 V228	M18-F89 WeakPolarHBondContact CE-O 3.47Å; D87-F89 PolarHBondContact O-N 2.76Å; D87-F89 WeakPolarHBondContact OD1-CA 3.36Å; D87-F89 VanDerWaalsContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.27Å; D87-F89 PolarHBondContact OD1-N 2.9Å; F89-L96 HydrophobicContact CE2-CD1 4.48Å; F89-F223 HydrophobicContact CE2-CE1 4.35Å; F89-I224 HydrophobicContact CE2-CG1 4.31Å; F89-I224 HydrophobicContact CZ-CB 4.27Å; F89-I224 HydrophobicContact CZ-CG1 4.26Å; F89-I224 HydrophobicContact CZ-CG2 3.98Å; F89-R227 HydrophobicContact CD1-CB 4.31Å; F89-R227 HydrophobicContact CD2-CB 4.47Å; F89-R227 HydrophobicContact CE1-CB 3.53Å; F89-R227 HydrophobicContact CE2-CB 3.72Å; F89-R227 HydrophobicContact CE2-CG 3.9Å; F89-R227 HydrophobicContact CZ-CB 3.2Å; F89-R227 HydrophobicContact CZ-CG 3.93Å; F89-V228 HydrophobicContact CE1-CG2 4Å
90	R	98.8	Very high	98.8	Very high	56 Å²	56	31 Å²	31	21%	0.211	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	-7.4	-178.8	-63.6	173.9	174.4	155.3	-5	114.1	M18 T44 D87 N94	M18-R90 HydrophobicContact CE-CB 4.43Å; M18-R90 HydrophobicContact CE-CG 4.12Å; T44-R90 PolarHBondContact OG1-NH1 3.27Å; T44-R90 PolarHBondContact OG1-NH2 3.48Å; D87-R90 HydrophobicContact CB-CB 4.36Å; D87-R90 PolarHBondContact OD1-N 2.87Å; D87-R90 WeakPolarHBondContact OD2-CD 3.42Å; D87-R90 IonicContact OD2-NH1 3.76Å; R90-N94 HydrophobicContact CB-CB 3.79Å; R90-N94 PolarHBondContact O-ND2 2.73Å
91	K	98.8	Very high	98.8	Very high	132 Å²	132	29.4 Å²	29.4	57%	0.574	15%	0.145	S	C	*	.			trans	61.7	175.5	-176.5	-53.6	178.1	-178.6	178	0	112.6	D87 N94 Y185	D87-K91 WeakPolarHBondContact O-CA 3.38Å; D87-K91 PolarHBondContact O-N 3.12Å; K91-N94 WeakPolarHBondContact O-CB 3.38Å; K91-N94 PolarHBondContact O-N 3.33Å; K91-N94 PolarHBondContact O-ND2 2.92Å; K91-Y185 WeakPolarHBondContact CA-OH 3.42Å
92	D	98.7	Very high	98.8	Very high	67 Å²	67	29.6 Å²	29.6	36%	0.358	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	144.4	174	-63.6	-15.5	0	0	0	109.6	R86 Y185	R86-D92 IonicContact CZ-OD1 3.06Å; R86-D92 IonicContact CZ-OD2 3.96Å; R86-D92 VanDerWaalsContact CZ-OD2 3.26Å; R86-D92 VanDerWaalsContact NE-CG 3.35Å; R86-D92 IonicContact NE-OD1 2.72Å; R86-D92 PolarHBondContact NE-OD1 3.24Å; R86-D92 IonicContact NE-OD2 2.95Å; R86-D92 PolarHBondContact NE-OD2 3.49Å; R86-D92 IonicContact NH2-OD1 3.19Å; R86-D92 IonicContact NH2-OD2 3.54Å; R86-D92 PolarHBondContact NH2-OD2 2.75Å; D92-Y185 PolarHBondContact N-OH 2.73Å; D92-Y185 PolarHBondContact OD1-OH 2.89Å; D92-Y185 PolarHBondContact OD2-OH 3.46Å
93	P	98.6	Very high	98.8	Very high	34 Å²	34	31.3 Å²	31.3	22%	0.221	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.7	9	9.6	34.9	-37.5	0	0	0	115.5	V26 E50 K95	V26-P93 HydrophobicContact CB-CG 4.47Å; V26-P93 HydrophobicContact CG1-CB 4.31Å; V26-P93 HydrophobicContact CG1-CG 4.33Å; V26-P93 WeakPolarHBondContact CG1-O 3.23Å; V26-P93 HydrophobicContact CG2-CB 3.91Å; V26-P93 HydrophobicContact CG2-CG 3.65Å; E50-P93 HydrophobicContact CB-CB 4.01Å; E50-P93 HydrophobicContact CG-CB 3.91Å; P93-K95 WeakPolarHBondContact O-CE 3.25Å
94	N	98.9	Very high	98.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.165	C	C	.	.			trans	-72	153.9	-169.7	-51.9	-69.5	0	0	0	113.7	Q22 Q27 D87 R90 K91	Q22-N94 PolarHBondContact NE2-OD1 2.98Å; Q22-N94 PolarHBondContact OE1-ND2 2.84Å; Q22-N94 PolarHBondContact OE1-OD1 3.38Å; Q27-N94 WeakPolarHBondContact CA-OD1 3.25Å; Q27-N94 HydrophobicContact CB-CB 4.32Å; Q27-N94 VanDerWaalsContact CB-OD1 3.23Å; Q27-N94 WeakPolarHBondContact CB-OD1 3.49Å; Q27-N94 WeakPolarHBondContact CG-OD1 3.17Å; Q27-N94 PolarHBondContact N-OD1 3.4Å; Q27-N94 WeakPolarHBondContact O-CA 3.48Å; Q27-N94 WeakPolarHBondContact O-CB 3.24Å; D87-N94 HydrophobicContact CB-CB 3.9Å; D87-N94 WeakPolarHBondContact CB-O 3.35Å; D87-N94 PolarHBondContact N-O 2.81Å; R90-N94 HydrophobicContact CB-CB 3.79Å; R90-N94 PolarHBondContact O-ND2 2.73Å; K91-N94 WeakPolarHBondContact O-CB 3.38Å; K91-N94 PolarHBondContact O-N 3.33Å; K91-N94 PolarHBondContact O-ND2 2.92Å
95	K	98.9	Very high	98.5	Very high	15 Å²	15	37.5 Å²	37.5	7%	0.065	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.8	-170.6	-52.9	-61.2	175.4	-161.5	0	113	Q27 M29 E50 P51 M84 F85 P93 V97	Q27-K95 PolarHBondContact O-N 2.88Å; M29-K95 PolarHBondContact N-O 2.83Å; E50-K95 IonicContact OE1-NZ 2.63Å; E50-K95 PolarHBondContact OE1-NZ 3.14Å; P51-K95 HydrophobicContact CG-CG 3.88Å; M84-K95 HydrophobicContact CG-CB 4.21Å; M84-K95 HydrophobicContact CG-CD 4.19Å; M84-K95 HydrophobicContact CG-CG 4.32Å; M84-K95 HydrophobicContact SD-CB 4.33Å; M84-K95 HydrophobicContact SD-CD 3.96Å; M84-K95 HydrophobicContact SD-CG 3.92Å; F85-K95 WeakPolarHBondContact O-CA 3.37Å; P93-K95 WeakPolarHBondContact O-CE 3.25Å; K95-V97 HydrophobicContact CB-CG2 4.37Å
96	L	99	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.8	157.1	-55.7	-176	0	0	0	108.6	M29 I31 M84 F85 D87 F89 V220 F223 I224	M29-L96 HydrophobicContact CB-CD2 3.99Å; M29-L96 HydrophobicContact CG-CD2 4.39Å; M29-L96 CarbonylContact O-C 3.56Å; M29-L96 HydrophobicContact SD-CD2 4.08Å; I31-L96 HydrophobicContact CD1-CB 3.85Å; I31-L96 HydrophobicContact CD1-CD1 4.31Å; I31-L96 HydrophobicContact CD1-CD2 4.31Å; I31-L96 HydrophobicContact CD1-CG 4.36Å; M84-L96 WeakPolarHBondContact CA-O 3.47Å; F85-L96 HydrophobicContact CB-CB 4.28Å; F85-L96 PolarHBondContact N-O 3.45Å; F85-L96 PolarHBondContact O-N 3.47Å; D87-L96 HydrophobicContact CB-CD2 4.03Å; D87-L96 HydrophobicContact CB-CG 4.2Å; F89-L96 HydrophobicContact CE2-CD1 4.48Å; L96-V220 HydrophobicContact CD1-CG1 4.33Å; L96-F223 HydrophobicContact CD1-CD1 4.31Å; L96-F223 HydrophobicContact CD1-CE1 4.45Å; L96-F223 HydrophobicContact CD2-CE1 4.23Å; L96-I224 HydrophobicContact CD1-CD1 4.35Å; L96-I224 HydrophobicContact CD1-CG1 4.12Å
97	V	98.9	Very high	98.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	104.8	-177.2	-176.6	0	0	0	0	108.6	A28 M29 Y30 I31 L57 P81 A83 K95	A28-V97 HydrophobicContact CB-CG2 4.34Å; M29-V97 PolarHBondContact O-N 3.39Å; Y30-V97 CarbonylContact C-O 3.56Å; Y30-V97 WeakPolarHBondContact CA-O 3.34Å; Y30-V97 HydrophobicContact CD1-CG1 4.38Å; Y30-V97 HydrophobicContact CD2-CB 4.1Å; Y30-V97 HydrophobicContact CD2-CG2 4.24Å; Y30-V97 HydrophobicContact CE1-CG1 4.33Å; Y30-V97 HydrophobicContact CE2-CB 4.29Å; Y30-V97 HydrophobicContact CE2-CG1 4.48Å; Y30-V97 HydrophobicContact CE2-CG2 4.11Å; Y30-V97 HydrophobicContact CG-CB 4.27Å; Y30-V97 HydrophobicContact CG-CG1 4.48Å; I31-V97 PolarHBondContact N-O 2.98Å; L57-V97 HydrophobicContact CD1-CB 4.25Å; L57-V97 HydrophobicContact CD1-CG1 3.65Å; L57-V97 HydrophobicContact CD1-CG2 3.57Å; L57-V97 HydrophobicContact CD2-CG2 4Å; L57-V97 HydrophobicContact CG-CG2 4.44Å; P81-V97 HydrophobicContact CB-CG1 3.8Å; P81-V97 HydrophobicContact CG-CG1 4.21Å; A83-V97 CarbonylContact O-C 3.5Å; A83-V97 WeakPolarHBondContact O-CA 3.38Å; K95-V97 HydrophobicContact CB-CG2 4.37Å
98	L	98.9	Very high	98.3	Very high	3 Å²	3	49 Å²	49	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	136.4	169.5	-177.2	66.4	0	0	0	108.7	I31 A82 A83 D216 W219 V220	I31-L98 HydrophobicContact CG2-CD1 4.41Å; A82-L98 WeakPolarHBondContact CB-O 3.48Å; A82-L98 PolarHBondContact N-O 2.85Å; A83-L98 HydrophobicContact CB-CB 4.26Å; A83-L98 PolarHBondContact N-O 3.28Å; A83-L98 PolarHBondContact O-N 2.98Å; L98-D216 HydrophobicContact CD2-CB 3.98Å; L98-W219 HydrophobicContact CD1-CB 4.4Å; L98-V220 HydrophobicContact CB-CG2 3.98Å; L98-V220 HydrophobicContact CD1-CG2 4.45Å; L98-V220 HydrophobicContact CD2-CG2 4.29Å; L98-V220 HydrophobicContact CG-CG2 4.48Å
99	C	98.9	Very high	98.2	Very high	8 Å²	8	47.9 Å²	47.9	5%	0.054	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.3	-177.1	-62.1	0	0	0	0	112.7	Y30 I31 L79 V80	Y30-C99 WeakPolarHBondContact CD1-SG 3.33Å; I31-C99 PolarHBondContact O-N 2.87Å; L79-C99 HydrophobicContact CB-CB 3.99Å; L79-C99 HydrophobicContact CD2-CB 3.99Å; V80-C99 CarbonylContact O-C 3.46Å; V80-C99 VanDerWaalsContact O-CA 3.27Å; V80-C99 WeakPolarHBondContact O-CA 3.37Å
100	E	98.9	Very high	98.2	Very high	20 Å²	20	52.1 Å²	52.1	9%	0.093	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	149.6	158.5	-77.6	-169.7	-138.3	0	0	110.8	L79 V80 A82 F102 N112 R114 H115	L79-E100 WeakPolarHBondContact CA-O 3.35Å; V80-E100 PolarHBondContact N-O 2.83Å; V80-E100 PolarHBondContact O-N 3.42Å; A82-E100 HydrophobicContact CB-CG 4.35Å; E100-F102 HydrophobicContact CB-CD2 4.29Å; E100-F102 HydrophobicContact CB-CE2 3.54Å; E100-F102 HydrophobicContact CB-CZ 4.22Å; E100-F102 WeakPolarHBondContact OE2-CZ 3.23Å; E100-N112 PolarHBondContact OE2-ND2 2.89Å; E100-N112 VanDerWaalsContact OE2-ND2 3.12Å; E100-N112 PolarHBondContact OE2-OD1 3.26Å; E100-R114 HydrophobicContact CG-CB 4.12Å; E100-R114 HydrophobicContact CG-CG 4.19Å; E100-R114 IonicContact OE1-CZ 2.59Å; E100-R114 IonicContact OE1-NH1 2.9Å; E100-R114 PolarHBondContact OE1-NH1 3.28Å; E100-H115 IonicContact OE2-CG 3.13Å; E100-H115 IonicContact OE2-ND1 2.94Å
101	V	98.8	Very high	98.2	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.03	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128	-179.8	-174.3	0	0	0	0	110.2	W32 F62 M77 Y78 L79 A109 N112	W32-V101 HydrophobicContact CB-CG2 3.75Å; W32-V101 HydrophobicContact CG-CG2 4.07Å; F62-V101 HydrophobicContact CE1-CG1 3.89Å; F62-V101 HydrophobicContact CZ-CG1 3.68Å; M77-V101 HydrophobicContact CB-CG1 4.43Å; M77-V101 HydrophobicContact CE-CG1 3.56Å; M77-V101 HydrophobicContact SD-CG1 4.13Å; Y78-V101 WeakPolarHBondContact O-CA 3.41Å; L79-V101 HydrophobicContact CD2-CG2 4.17Å; V101-A109 HydrophobicContact CB-CB 3.97Å; V101-A109 HydrophobicContact CG1-CB 3.76Å; V101-A109 PolarHBondContact O-N 3.12Å; V101-N112 WeakPolarHBondContact O-CB 3.49Å; V101-N112 PolarHBondContact O-ND2 3.45Å
102	F	98.5	Very high	98.2	Very high	26 Å²	26	44.7 Å²	44.7	11%	0.114	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147	176	-64.4	-94	0	0	0	110.9	M77 Y78 V80 E100 R106 R107 P108 H115	M77-F102 CarbonylContact C-O 3.46Å; M77-F102 WeakPolarHBondContact CA-O 3.3Å; M77-F102 WeakPolarHBondContact CB-O 3.41Å; Y78-F102 PolarHBondContact N-O 3.01Å; Y78-F102 PolarHBondContact O-N 2.88Å; V80-F102 HydrophobicContact CB-CD2 4.15Å; V80-F102 HydrophobicContact CB-CE2 3.85Å; V80-F102 HydrophobicContact CG2-CD2 3.53Å; V80-F102 HydrophobicContact CG2-CE2 3.62Å; E100-F102 HydrophobicContact CB-CD2 4.29Å; E100-F102 HydrophobicContact CB-CE2 3.54Å; E100-F102 HydrophobicContact CB-CZ 4.22Å; E100-F102 WeakPolarHBondContact OE2-CZ 3.23Å; F102-R106 WeakPolarHBondContact CD1-O 3.3Å; F102-R107 CarbonylContact C-O 3.58Å; F102-R107 WeakPolarHBondContact CA-O 3.45Å; F102-P108 HydrophobicContact CD1-CG 4.41Å; F102-P108 HydrophobicContact CE1-CG 4.09Å; F102-H115 AromaticContact CZ-ND1 3.97Å
103	K	97.7	Very high	98.2	Very high	53 Å²	53	44.2 Å²	44.2	23%	0.23	20%	0.203	C	C	.	.			trans	-75.1	171.6	176.4	-59.2	-179	-177.4	-170.6	0	111.5	M77 Y78 N105 R106 R107 E110	M77-K103 HydrophobicContact CE-CG 3.97Å; Y78-K103 WeakPolarHBondContact CD2-O 3.39Å; K103-N105 PolarHBondContact O-N 3.37Å; K103-R106 WeakPolarHBondContact O-CA 3.4Å; K103-R106 PolarHBondContact O-N 3.27Å; K103-R107 PolarHBondContact N-O 3.37Å; K103-E110 WeakPolarHBondContact CE-OE1 3.35Å; K103-E110 WeakPolarHBondContact CE-OE2 3.22Å; K103-E110 IonicContact NZ-OE1 2.88Å; K103-E110 PolarHBondContact NZ-OE1 3.37Å; K103-E110 IonicContact NZ-OE2 2.69Å; K103-E110 PolarHBondContact NZ-OE2 3.3Å; K103-E110 VanDerWaalsContact NZ-OE2 3.13Å
104	Y	95.4	Very high	98.2	Very high	123 Å²	123	43.9 Å²	43.9	48%	0.482	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-31.2	175.1	75.3	-90.9	0	0	0	114.1	N74 D76 R106	N74-Y104 HydrophobicContact CB-CD1 3.7Å; N74-Y104 HydrophobicContact CB-CE1 3.84Å; N74-Y104 HydrophobicContact CB-CG 4.16Å; D76-Y104 PolarHBondContact O-N 3.28Å; Y104-R106 VanDerWaalsContact C-N 3.33Å
105	N	95.7	Very high	98.2	Very high	70 Å²	70	46.8 Å²	46.8	37%	0.374	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	14.4	178.8	64.5	13.6	0	0	0	114.1	K103 R107	K103-N105 PolarHBondContact O-N 3.37Å; N105-R107 PolarHBondContact O-N 3.14Å; N105-R107 VanDerWaalsContact O-N 3.15Å; N105-R107 VanDerWaalsContact OD1-CB 3.3Å; N105-R107 WeakPolarHBondContact OD1-CB 3.4Å; N105-R107 WeakPolarHBondContact OD1-CG 3.49Å; N105-R107 PolarHBondContact OD1-N 3.22Å; N105-R107 VanDerWaalsContact OD1-N 3.11Å
106	R	97	Very high	98.1	Very high	129 Å²	129	48.5 Å²	48.5	49%	0.487	22%	0.222	S	C	.	.	S	Bend	trans	57.9	18.4	-177.2	-45.1	-141.9	87.8	-171.9	-0.1	115.4	E59 F102 K103 Y104	E59-R106 IonicContact OE1-CZ 2.84Å; E59-R106 IonicContact OE1-NH1 3.26Å; E59-R106 PolarHBondContact OE1-NH1 3.09Å; E59-R106 IonicContact OE1-NH2 3.65Å; E59-R106 PolarHBondContact OE1-NH2 3.21Å; E59-R106 IonicContact OE2-CZ 3.75Å; E59-R106 IonicContact OE2-NH1 3.4Å; E59-R106 IonicContact OE2-NH2 2.76Å; E59-R106 PolarHBondContact OE2-NH2 3.07Å; F102-R106 WeakPolarHBondContact CD1-O 3.3Å; K103-R106 WeakPolarHBondContact O-CA 3.4Å; K103-R106 PolarHBondContact O-N 3.27Å; Y104-R106 VanDerWaalsContact C-N 3.33Å
107	R	97.4	Very high	98.1	Very high	175 Å²	175	48.5 Å²	48.5	66%	0.66	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-81.6	149.7	165.9	-64	-174.3	178.2	-177.1	0.3	110.4	F102 K103 N105	F102-R107 CarbonylContact C-O 3.58Å; F102-R107 WeakPolarHBondContact CA-O 3.45Å; K103-R107 PolarHBondContact N-O 3.37Å; N105-R107 PolarHBondContact O-N 3.14Å; N105-R107 VanDerWaalsContact O-N 3.15Å; N105-R107 VanDerWaalsContact OD1-CB 3.3Å; N105-R107 WeakPolarHBondContact OD1-CB 3.4Å; N105-R107 WeakPolarHBondContact OD1-CG 3.49Å; N105-R107 PolarHBondContact OD1-N 3.22Å; N105-R107 VanDerWaalsContact OD1-N 3.11Å
108	P	98.3	Very high	98.1	Very high	45 Å²	45	52 Å²	52	29%	0.292	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-55.8	144.5	174.5	-22.5	32.4	0	0	0	111.7	F102 N112 H115	F102-P108 HydrophobicContact CD1-CG 4.41Å; F102-P108 HydrophobicContact CE1-CG 4.09Å; P108-N112 HydrophobicContact CB-CB 4.09Å; P108-H115 HydrophobicContact CB-CB 4.24Å; P108-H115 HydrophobicContact CG-CB 4.1Å; P108-H115 VanDerWaalsContact CG-CD2 3.42Å; P108-H115 WeakPolarHBondContact CG-CD2 3.49Å
109	A	98.1	Very high	98.1	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-65.9	160	166.8	0	0	0	0	0	111	M77 V101 T111 N112	M77-A109 HydrophobicContact CE-CB 3.67Å; V101-A109 HydrophobicContact CB-CB 3.97Å; V101-A109 HydrophobicContact CG1-CB 3.76Å; V101-A109 PolarHBondContact O-N 3.12Å; A109-T111 PolarHBondContact O-N 2.86Å; A109-N112 HydrophobicContact CB-CB 4.24Å; A109-N112 WeakPolarHBondContact O-CB 3.48Å; A109-N112 PolarHBondContact O-N 3.17Å
110	E	97.9	Very high	98	Very high	127 Å²	127	55.8 Å²	55.8	59%	0.593	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-40.2	178.5	-74.8	72.9	-173.4	0	0	111.8	K103	K103-E110 WeakPolarHBondContact CE-OE1 3.35Å; K103-E110 WeakPolarHBondContact CE-OE2 3.22Å; K103-E110 IonicContact NZ-OE1 2.88Å; K103-E110 PolarHBondContact NZ-OE1 3.37Å; K103-E110 IonicContact NZ-OE2 2.69Å; K103-E110 PolarHBondContact NZ-OE2 3.3Å; K103-E110 VanDerWaalsContact NZ-OE2 3.13Å
111	T	98.5	Very high	98	Very high	21 Å²	21	55.1 Å²	55.1	13%	0.129	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	3.7	179.1	56	0	0	0	0	113.4	D34 Q69 A109 L113	D34-T111 WeakPolarHBondContact O-CB 3.37Å; D34-T111 WeakPolarHBondContact O-CG2 3.48Å; D34-T111 PolarHBondContact O-OG1 3.26Å; Q69-T111 PolarHBondContact NE2-OG1 3.39Å; A109-T111 PolarHBondContact O-N 2.86Å; T111-L113 PolarHBondContact O-N 3.46Å
112	N	98.7	Very high	98	Very high	11 Å²	11	58.6 Å²	58.6	6%	0.059	27%	0.266	C	S	.	.			trans	-82.5	68.5	173	-175.2	4.5	0	0	0	110.8	E100 V101 P108 A109 R114 H115	E100-N112 PolarHBondContact OE2-ND2 2.89Å; E100-N112 VanDerWaalsContact OE2-ND2 3.12Å; E100-N112 PolarHBondContact OE2-OD1 3.26Å; V101-N112 WeakPolarHBondContact O-CB 3.49Å; V101-N112 PolarHBondContact O-ND2 3.45Å; P108-N112 HydrophobicContact CB-CB 4.09Å; A109-N112 HydrophobicContact CB-CB 4.24Å; A109-N112 WeakPolarHBondContact O-CB 3.48Å; A109-N112 PolarHBondContact O-N 3.17Å; N112-R114 PolarHBondContact O-N 3.16Å; N112-H115 PolarHBondContact OD1-N 3.1Å
113	L	98.8	Very high	98	Very high	58 Å²	58	61.3 Å²	61.3	30%	0.304	28%	0.28	S	S	.	.	H	α-helix	trans	-74.4	-17.8	176.6	-55.7	-172.3	0	0	0	112.5	T111 H115 T116 C117 D347 F349	T111-L113 PolarHBondContact O-N 3.46Å; L113-H115 PolarHBondContact O-N 2.85Å; L113-T116 PolarHBondContact O-OG1 3.24Å; L113-C117 VanDerWaalsContact O-CB 3.24Å; L113-C117 WeakPolarHBondContact O-CB 3.44Å; L113-C117 PolarHBondContact O-N 3.37Å; L113-C117 VanDerWaalsContact O-N 3.08Å; L113-D347 HydrophobicContact CD1-CB 4.23Å; L113-F349 HydrophobicContact CB-CB 4.09Å
114	R	98.8	Very high	98	Very high	26 Å²	26	58.9 Å²	58.9	10%	0.098	27%	0.269	C	S	.	.	H	α-helix	trans	-57.7	-39.3	173.4	-171.4	177.6	-172.7	-88.3	4.9	111.6	A82 E100 N112 T116 C117 K118 I212 D216 F349	A82-R114 VanDerWaalsContact CB-CZ 3.48Å; A82-R114 PolarHBondContact O-NH2 2.98Å; E100-R114 HydrophobicContact CG-CB 4.12Å; E100-R114 HydrophobicContact CG-CG 4.19Å; E100-R114 IonicContact OE1-CZ 2.59Å; E100-R114 IonicContact OE1-NH1 2.9Å; E100-R114 PolarHBondContact OE1-NH1 3.28Å; N112-R114 PolarHBondContact O-N 3.16Å; R114-T116 PolarHBondContact O-N 3.34Å; R114-C117 PolarHBondContact O-N 2.82Å; R114-K118 VanDerWaalsContact O-CB 3.25Å; R114-K118 WeakPolarHBondContact O-CB 3.49Å; R114-K118 PolarHBondContact O-N 2.83Å; R114-I212 HydrophobicContact CG-CD1 3.97Å; R114-I212 HydrophobicContact CG-CG1 4.25Å; R114-D216 IonicContact CZ-OD1 3.64Å; R114-D216 IonicContact CZ-OD2 3.43Å; R114-D216 IonicContact NE-OD1 2.71Å; R114-D216 PolarHBondContact NE-OD1 3.09Å; R114-D216 IonicContact NE-OD2 2.68Å; R114-D216 IonicContact NH2-OD1 3.37Å; R114-D216 PolarHBondContact NH2-OD1 2.77Å; R114-D216 IonicContact NH2-OD2 3.54Å; R114-D216 PolarHBondContact NH2-OD2 2.68Å; R114-F349 HydrophobicContact CB-CD1 4.16Å; R114-F349 HydrophobicContact CB-CD2 3.88Å; R114-F349 HydrophobicContact CB-CE1 4.04Å; R114-F349 HydrophobicContact CB-CE2 3.75Å; R114-F349 HydrophobicContact CB-CG 4.09Å; R114-F349 HydrophobicContact CB-CZ 3.85Å; R114-F349 HydrophobicContact CG-CD1 4.09Å; R114-F349 HydrophobicContact CG-CE1 3.64Å; R114-F349 HydrophobicContact CG-CE2 4.12Å; R114-F349 HydrophobicContact CG-CZ 3.67Å
115	H	98.4	Very high	98.1	Very high	62 Å²	62	56 Å²	56	29%	0.287	27%	0.268	S	S	.	.	H	α-helix	trans	-58.8	-48.5	-176.4	-172.3	75.4	0	0	0	113.1	E100 F102 P108 N112 L113	E100-H115 IonicContact OE2-CG 3.13Å; E100-H115 IonicContact OE2-ND1 2.94Å; F102-H115 AromaticContact CZ-ND1 3.97Å; P108-H115 HydrophobicContact CB-CB 4.24Å; P108-H115 HydrophobicContact CG-CB 4.1Å; P108-H115 VanDerWaalsContact CG-CD2 3.42Å; P108-H115 WeakPolarHBondContact CG-CD2 3.49Å; N112-H115 PolarHBondContact OD1-N 3.1Å; L113-H115 PolarHBondContact O-N 2.85Å
116	T	98.2	Very high	98.2	Very high	51 Å²	51	58.2 Å²	58.2	31%	0.313	28%	0.279	S	S	.	.	H	α-helix	trans	-72.5	-42.3	176.5	47.1	0	0	0	0	111.3	L113 R114 K118 R119 I120 E353	L113-T116 PolarHBondContact O-OG1 3.24Å; R114-T116 PolarHBondContact O-N 3.34Å; T116-K118 VanDerWaalsContact C-N 3.3Å; T116-K118 PolarHBondContact O-N 2.94Å; T116-R119 WeakPolarHBondContact O-CB 3Å; T116-R119 PolarHBondContact O-N 3.21Å; T116-R119 VanDerWaalsContact O-N 3.16Å; T116-I120 WeakPolarHBondContact O-CG1 3.22Å; T116-I120 PolarHBondContact O-N 3.2Å; T116-I120 VanDerWaalsContact O-N 3.1Å; T116-E353 WeakPolarHBondContact CB-OE2 3.46Å; T116-E353 PolarHBondContact OG1-OE2 2.8Å
117	C	98.7	Very high	98.3	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-43.1	-178.9	-178.5	0	0	0	0	110.9	L113 R114 R119 I120 M121 I212 F349 E353	L113-C117 VanDerWaalsContact O-CB 3.24Å; L113-C117 WeakPolarHBondContact O-CB 3.44Å; L113-C117 PolarHBondContact O-N 3.37Å; L113-C117 VanDerWaalsContact O-N 3.08Å; R114-C117 PolarHBondContact O-N 2.82Å; C117-R119 VanDerWaalsContact C-N 3.35Å; C117-R119 PolarHBondContact O-N 3.47Å; C117-I120 PolarHBondContact O-N 3.19Å; C117-M121 VanDerWaalsContact O-CG 3.23Å; C117-M121 WeakPolarHBondContact O-CG 3.4Å; C117-M121 PolarHBondContact O-N 3.4Å; C117-I212 HydrophobicContact CB-CD1 3.97Å; C117-F349 HydrophobicContact CB-CB 4.06Å; C117-F349 HydrophobicContact CB-CD1 4.5Å; C117-F349 PolarHBondContact SG-O 3.4Å; C117-F349 VanDerWaalsContact SG-O 3.39Å; C117-E353 WeakPolarHBondContact CA-OE2 3.32Å; C117-E353 HydrophobicContact CB-CB 4.04Å; C117-E353 HydrophobicContact CB-CG 4.48Å; C117-E353 WeakPolarHBondContact CB-OE2 3.49Å; C117-E353 PolarHBondContact N-OE2 3.47Å
118	K	98.5	Very high	98.3	Very high	73 Å²	73	50.1 Å²	50.1	32%	0.317	25%	0.254	S	S	.	.	H	α-helix	trans	-55.6	-47.9	176.8	175.9	55.8	-179.6	156.5	0	111.9	R114 T116 I120 M121 D122 I212	R114-K118 VanDerWaalsContact O-CB 3.25Å; R114-K118 WeakPolarHBondContact O-CB 3.49Å; R114-K118 PolarHBondContact O-N 2.83Å; T116-K118 VanDerWaalsContact C-N 3.3Å; T116-K118 PolarHBondContact O-N 2.94Å; K118-I120 PolarHBondContact O-N 3.01Å; K118-M121 PolarHBondContact O-N 2.87Å; K118-D122 WeakPolarHBondContact CE-OD1 3.48Å; K118-D122 VanDerWaalsContact CE-OD2 3.23Å; K118-D122 WeakPolarHBondContact CE-OD2 3.46Å; K118-D122 IonicContact NZ-OD1 3.04Å; K118-D122 PolarHBondContact NZ-OD1 2.99Å; K118-D122 IonicContact NZ-OD2 2.67Å; K118-D122 PolarHBondContact NZ-OD2 2.8Å; K118-D122 VanDerWaalsContact O-CG 3.26Å; K118-D122 PolarHBondContact O-N 3.18Å; K118-I212 HydrophobicContact CB-CD1 4Å; K118-I212 HydrophobicContact CB-CG1 4.15Å; K118-I212 HydrophobicContact CD-CB 4.11Å; K118-I212 HydrophobicContact CD-CG1 4.07Å; K118-I212 HydrophobicContact CD-CG2 4.03Å
119	R	97.9	Very high	98.4	Very high	85 Å²	85	48 Å²	48	32%	0.321	24%	0.241	S	C	.	.	H	α-helix	trans	-60.1	-45.6	177.7	-66.4	171.3	64.5	-150.4	-6.6	111.6	T116 C117 D122 M123 Y371 N373	T116-R119 WeakPolarHBondContact O-CB 3Å; T116-R119 PolarHBondContact O-N 3.21Å; T116-R119 VanDerWaalsContact O-N 3.16Å; C117-R119 VanDerWaalsContact C-N 3.35Å; C117-R119 PolarHBondContact O-N 3.47Å; R119-D122 PolarHBondContact O-N 2.82Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 3.41Å; R119-Y371 PolarHBondContact NH2-O 2.84Å; R119-N373 PolarHBondContact NE-OD1 2.9Å; R119-N373 PolarHBondContact NH2-OD1 3.18Å
120	I	98.5	Very high	98.4	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-39.9	179	-64.8	-59.3	0	0	0	111.6	T116 C117 K118 M123 E353 I356 R357 L361 Y371	T116-I120 WeakPolarHBondContact O-CG1 3.22Å; T116-I120 PolarHBondContact O-N 3.2Å; T116-I120 VanDerWaalsContact O-N 3.1Å; C117-I120 PolarHBondContact O-N 3.19Å; K118-I120 PolarHBondContact O-N 3.01Å; I120-M123 HydrophobicContact CD1-SD 4.02Å; I120-M123 PolarHBondContact O-N 3.14Å; I120-E353 HydrophobicContact CB-CG 4.16Å; I120-E353 HydrophobicContact CG1-CG 3.99Å; I120-E353 HydrophobicContact CG2-CG 4.22Å; I120-I356 HydrophobicContact CG2-CB 3.89Å; I120-I356 HydrophobicContact CG2-CG2 3.48Å; I120-I356 VanDerWaalsContact CG2-CG2 3.48Å; I120-R357 HydrophobicContact CG2-CG 4.25Å; I120-L361 HydrophobicContact CD1-CD1 4.08Å; I120-L361 HydrophobicContact CG2-CD1 4.12Å; I120-Y371 HydrophobicContact CD1-CD2 3.82Å; I120-Y371 HydrophobicContact CD1-CE2 3.92Å
121	M	98.4	Very high	98.5	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.034	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-38.8	175.9	-67.8	-64.5	171.8	0	0	112.2	C117 K118 M123 V124 S125 P129 F131 G211 I212 T352 I356	C117-M121 VanDerWaalsContact O-CG 3.23Å; C117-M121 WeakPolarHBondContact O-CG 3.4Å; C117-M121 PolarHBondContact O-N 3.4Å; K118-M121 PolarHBondContact O-N 2.87Å; M121-M123 VanDerWaalsContact C-N 3.33Å; M121-M123 PolarHBondContact O-N 3.43Å; M121-V124 PolarHBondContact O-N 3.46Å; M121-S125 PolarHBondContact O-N 3.05Å; M121-S125 VanDerWaalsContact O-N 3.17Å; M121-P129 HydrophobicContact SD-CG 4.4Å; M121-F131 HydrophobicContact CE-CE2 3.69Å; M121-F131 HydrophobicContact CE-CZ 3.86Å; M121-F131 HydrophobicContact SD-CE2 4.02Å; M121-F131 HydrophobicContact SD-CZ 4.47Å; M121-G211 VanDerWaalsContact SD-CA 3.54Å; M121-I212 HydrophobicContact CG-CB 4.46Å; M121-T352 VanDerWaalsContact CE-CB 3.46Å; M121-I356 HydrophobicContact CE-CG1 3.68Å; M121-I356 HydrophobicContact SD-CD1 4.32Å; M121-I356 HydrophobicContact SD-CG1 3.74Å
122	D	98.1	Very high	98.5	Very high	78 Å²	78	46 Å²	46	42%	0.417	23%	0.229	S	C	.	.	H	α-helix	trans	-64.6	-37.6	178.9	-69.7	-22.7	0	0	0	111.8	K118 R119 V124 S125	K118-D122 WeakPolarHBondContact CE-OD1 3.48Å; K118-D122 VanDerWaalsContact CE-OD2 3.23Å; K118-D122 WeakPolarHBondContact CE-OD2 3.46Å; K118-D122 IonicContact NZ-OD1 3.04Å; K118-D122 PolarHBondContact NZ-OD1 2.99Å; K118-D122 IonicContact NZ-OD2 2.67Å; K118-D122 PolarHBondContact NZ-OD2 2.8Å; K118-D122 VanDerWaalsContact O-CG 3.26Å; K118-D122 PolarHBondContact O-N 3.18Å; R119-D122 PolarHBondContact O-N 2.82Å; D122-V124 PolarHBondContact O-N 2.87Å; D122-S125 WeakPolarHBondContact O-CB 3.32Å; D122-S125 PolarHBondContact O-N 3.1Å; D122-S125 PolarHBondContact O-OG 3.29Å
123	M	98	Very high	98.5	Very high	83 Å²	83	45.6 Å²	45.6	41%	0.409	23%	0.226	S	C	.	.	H	α-helix	trans	-61.7	-25.5	177.4	-69.2	171.7	61.3	0	0	114.1	R119 I120 M121 L361 Y371	R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 3.41Å; I120-M123 HydrophobicContact CD1-SD 4.02Å; I120-M123 PolarHBondContact O-N 3.14Å; M121-M123 VanDerWaalsContact C-N 3.33Å; M121-M123 PolarHBondContact O-N 3.43Å; M123-L361 HydrophobicContact CE-CD1 4.19Å; M123-L361 HydrophobicContact CE-CD2 4.23Å; M123-Y371 HydrophobicContact CE-CD1 3.65Å; M123-Y371 HydrophobicContact CE-CD2 3.95Å; M123-Y371 HydrophobicContact CE-CE1 3.84Å; M123-Y371 HydrophobicContact CE-CE2 4.12Å; M123-Y371 HydrophobicContact CE-CG 3.7Å; M123-Y371 HydrophobicContact SD-CD2 4.04Å; M123-Y371 HydrophobicContact SD-CG 4.02Å
124	V	98.1	Very high	98.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.9	14.3	-177.3	-59.8	0	0	0	0	113	M121 D122 N126 Q127 P129 I356 L360 L361	M121-V124 PolarHBondContact O-N 3.46Å; D122-V124 PolarHBondContact O-N 2.87Å; V124-N126 PolarHBondContact O-N 2.59Å; V124-Q127 WeakPolarHBondContact O-CB 3.33Å; V124-Q127 PolarHBondContact O-N 3.43Å; V124-P129 HydrophobicContact CG2-CG 4.11Å; V124-I356 HydrophobicContact CB-CG2 4.37Å; V124-I356 HydrophobicContact CG1-CG2 3.88Å; V124-I356 HydrophobicContact CG2-CD1 4.21Å; V124-I356 HydrophobicContact CG2-CG1 4.45Å; V124-I356 HydrophobicContact CG2-CG2 3.62Å; V124-L360 HydrophobicContact CB-CD1 4.05Å; V124-L360 HydrophobicContact CG1-CB 4.12Å; V124-L360 HydrophobicContact CG1-CD1 4.24Å; V124-L360 HydrophobicContact CG2-CD1 4.17Å; V124-L361 HydrophobicContact CG1-CD2 3.72Å; V124-L361 HydrophobicContact CG1-CG 4.39Å
125	S	97.7	Very high	98.5	Very high	64 Å²	64	43.1 Å²	43.1	45%	0.448	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-55.4	-34.4	-176.7	53	0	0	0	0	113.3	M121 D122 Q127 H128	M121-S125 PolarHBondContact O-N 3.05Å; M121-S125 VanDerWaalsContact O-N 3.17Å; D122-S125 WeakPolarHBondContact O-CB 3.32Å; D122-S125 PolarHBondContact O-N 3.1Å; D122-S125 PolarHBondContact O-OG 3.29Å; S125-Q127 PolarHBondContact O-N 2.94Å; S125-H128 PolarHBondContact O-N 2.77Å
126	N	98.3	Very high	98.5	Very high	115 Å²	115	40.8 Å²	40.8	62%	0.615	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-62.1	-20.6	174.8	66.8	-34.9	0	0	0	114.2	V124	V124-N126 PolarHBondContact O-N 2.59Å
127	Q	98.6	Very high	98.6	Very high	62 Å²	62	38.4 Å²	38.4	29%	0.29	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-89.1	-4.7	176.7	-57.5	-169.5	56.2	0	0	112.8	V124 S125 T258 K259 L360	V124-Q127 WeakPolarHBondContact O-CB 3.33Å; V124-Q127 PolarHBondContact O-N 3.43Å; S125-Q127 PolarHBondContact O-N 2.94Å; Q127-T258 HydrophobicContact CB-CG2 4.37Å; Q127-K259 WeakPolarHBondContact O-CB 3.31Å; Q127-K259 PolarHBondContact O-N 2.91Å; Q127-L360 HydrophobicContact CB-CD1 4.44Å
128	H	98.6	Very high	98.6	Very high	72 Å²	72	38.4 Å²	38.4	33%	0.333	19%	0.189	S	C	.	.			trans	45	62.1	-178.8	-60.7	-74.7	0	0	0	113.2	S125 W130 E210 K259 R262	S125-H128 PolarHBondContact O-N 2.77Å; H128-W130 PolarHBondContact O-N 3.27Å; H128-E210 IonicContact CE1-OE1 2.75Å; H128-E210 IonicContact CG-OE1 2.62Å; H128-E210 IonicContact ND1-OE1 3.79Å; H128-E210 PolarHBondContact ND1-OE1 2.72Å; H128-E210 IonicContact ND1-OE2 2.69Å; H128-K259 HydrophobicContact CB-CB 4.43Å; H128-R262 PolarHBondContact O-NH1 3.36Å; H128-R262 PolarHBondContact O-NH2 2.84Å
129	P	98.8	Very high	98.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.013	17%	0.173	C	C	.	.			trans	-65.4	121.5	179.1	28.5	-34.5	0	0	0	110.2	M121 V124 F131 E210 G211 F256 S257 I356	M121-P129 HydrophobicContact SD-CG 4.4Å; V124-P129 HydrophobicContact CG2-CG 4.11Å; P129-F131 HydrophobicContact CB-CE2 4.08Å; P129-F131 HydrophobicContact CB-CZ 4.35Å; P129-E210 WeakPolarHBondContact O-CA 3.12Å; P129-G211 PolarHBondContact O-N 3.45Å; P129-F256 HydrophobicContact CB-CE2 3.87Å; P129-S257 CarbonylContact C-O 3.6Å; P129-S257 WeakPolarHBondContact CA-O 3.34Å; P129-I356 HydrophobicContact CB-CD1 3.71Å; P129-I356 HydrophobicContact CG-CD1 4.22Å
130	W	98.9	Very high	98.6	Very high	96 Å²	96	31.6 Å²	31.6	36%	0.364	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.2	175.7	-71.3	-0.8	0	0	0	110.6	H128 P208 C209 E210 F256 S257 R262	H128-W130 PolarHBondContact O-N 3.27Å; W130-P208 HydrophobicContact CE3-CB 4.26Å; W130-C209 CarbonylContact C-O 3.52Å; W130-C209 WeakPolarHBondContact CA-O 3.42Å; W130-E210 PolarHBondContact NE1-OE2 2.9Å; W130-F256 WeakPolarHBondContact O-CA 3.48Å; W130-S257 PolarHBondContact N-O 2.57Å; W130-S257 PolarHBondContact O-N 3.11Å; W130-R262 VanDerWaalsContact CD2-CZ 3.43Å
131	F	98.9	Very high	98.6	Very high	3 Å²	3	31.5 Å²	31.5	1%	0.013	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	147.6	177.9	-58.8	-82	0	0	0	110.8	M121 P129 P208 C209 M214 T254 N255 F256 T352 L355 I356	M121-F131 HydrophobicContact CE-CE2 3.69Å; M121-F131 HydrophobicContact CE-CZ 3.86Å; M121-F131 HydrophobicContact SD-CE2 4.02Å; M121-F131 HydrophobicContact SD-CZ 4.47Å; P129-F131 HydrophobicContact CB-CE2 4.08Å; P129-F131 HydrophobicContact CB-CZ 4.35Å; F131-P208 CarbonylContact O-C 3.56Å; F131-P208 VanDerWaalsContact O-CA 3.3Å; F131-P208 WeakPolarHBondContact O-CA 3.46Å; F131-C209 PolarHBondContact N-O 3.03Å; F131-C209 PolarHBondContact O-N 3.18Å; F131-M214 HydrophobicContact CB-CB 3.88Å; F131-M214 HydrophobicContact CB-CG 3.49Å; F131-M214 VanDerWaalsContact CB-CG 3.49Å; F131-M214 HydrophobicContact CB-SD 3.62Å; F131-M214 HydrophobicContact CD2-CB 4.19Å; F131-M214 HydrophobicContact CG-CB 4.33Å; F131-M214 HydrophobicContact CG-CG 4.23Å; F131-T254 HydrophobicContact CD1-CG2 4.24Å; F131-N255 CarbonylContact C-O 3.5Å; F131-N255 WeakPolarHBondContact CA-O 3.3Å; F131-F256 HydrophobicContact CD1-CB 4.21Å; F131-F256 AromaticContact CD1-CD2 3.65Å; F131-F256 HydrophobicContact CD1-CD2 3.65Å; F131-F256 HydrophobicContact CD1-CE2 4.49Å; F131-F256 HydrophobicContact CD1-CG 4.25Å; F131-F256 HydrophobicContact CE1-CB 4.3Å; F131-F256 AromaticContact CE1-CD2 3.23Å; F131-F256 HydrophobicContact CE1-CD2 3.23Å; F131-F256 AromaticContact CE1-CE2 3.73Å; F131-F256 HydrophobicContact CE1-CE2 3.73Å; F131-F256 AromaticContact CE1-CG 3.91Å; F131-F256 HydrophobicContact CE1-CG 3.91Å; F131-F256 HydrophobicContact CG-CD2 4.48Å; F131-F256 AromaticContact CZ-CD2 3.77Å; F131-F256 HydrophobicContact CZ-CD2 3.77Å; F131-F256 AromaticContact CZ-CE2 3.78Å; F131-F256 HydrophobicContact CZ-CE2 3.78Å; F131-T352 HydrophobicContact CB-CG2 4.42Å; F131-T352 HydrophobicContact CD1-CG2 3.75Å; F131-T352 HydrophobicContact CD2-CG2 4Å; F131-T352 HydrophobicContact CE1-CG2 3.88Å; F131-T352 HydrophobicContact CE2-CG2 4.13Å; F131-T352 HydrophobicContact CG-CG2 3.79Å; F131-T352 HydrophobicContact CZ-CG2 4.07Å; F131-L355 HydrophobicContact CD1-CD1 4.38Å; F131-L355 HydrophobicContact CE1-CB 4.32Å; F131-L355 HydrophobicContact CE1-CD1 3.98Å; F131-I356 HydrophobicContact CE2-CD1 4.43Å; F131-I356 HydrophobicContact CZ-CD1 3.73Å; F131-I356 HydrophobicContact CZ-CG1 4Å
132	G	98.9	Very high	98.6	Very high	13 Å²	13	34.5 Å²	34.5	13%	0.134	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	138	160.9	0	0	0	0	0	109.1	I206 T254 N255	G132-I206 CarbonylContact C-O 3.58Å; G132-I206 WeakPolarHBondContact CA-O 3.37Å; G132-T254 CarbonylContact O-C 3.39Å; G132-T254 WeakPolarHBondContact O-CA 3.45Å; G132-N255 PolarHBondContact N-O 2.82Å; G132-N255 WeakPolarHBondContact O-CB 3.36Å; G132-N255 PolarHBondContact O-N 3.17Å
133	M	98.9	Very high	98.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.7	-179.5	-70.4	-179.8	167.5	0	0	111.5	Q205 I206 M214 L218 H253 T254 P348 V351 T352	M133-Q205 CarbonylContact O-C 3.58Å; M133-Q205 WeakPolarHBondContact O-CA 3.3Å; M133-I206 PolarHBondContact N-O 3.44Å; M133-I206 PolarHBondContact O-N 3.18Å; M133-M214 HydrophobicContact CB-CE 3.69Å; M133-M214 HydrophobicContact CB-SD 4.41Å; M133-M214 HydrophobicContact CE-CG 4.22Å; M133-M214 HydrophobicContact CG-CE 3.78Å; M133-M214 HydrophobicContact CG-CG 4.26Å; M133-M214 HydrophobicContact CG-SD 4.02Å; M133-M214 HydrophobicContact SD-CE 3.94Å; M133-M214 HydrophobicContact SD-CG 3.97Å; M133-M214 HydrophobicContact SD-SD 4.4Å; M133-L218 HydrophobicContact CB-CD2 4.19Å; M133-L218 HydrophobicContact SD-CD2 3.62Å; M133-H253 VanDerWaalsContact CA-O 3.31Å; M133-H253 WeakPolarHBondContact CA-O 3.45Å; M133-T254 HydrophobicContact CE-CG2 3.69Å; M133-T254 WeakPolarHBondContact CE-OG1 3.44Å; M133-T254 HydrophobicContact CG-CG2 4.09Å; M133-P348 HydrophobicContact CE-CB 4Å; M133-P348 HydrophobicContact SD-CB 3.66Å; M133-V351 HydrophobicContact CE-CB 3.99Å; M133-V351 HydrophobicContact CE-CG1 3.82Å; M133-T352 HydrophobicContact CE-CG2 3.58Å
134	E	98.9	Very high	98.4	Very high	32 Å²	32	33.7 Å²	33.7	15%	0.15	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	91.9	178.3	-70	166.7	-155.2	0	0	108.3	E136 E203 Q205 C252 H253 N255	E134-E136 PolarHBondContact O-N 3.42Å; E134-E203 HydrophobicContact CB-CG 4.37Å; E134-E203 WeakPolarHBondContact CB-OE1 3.47Å; E134-E203 WeakPolarHBondContact CG-OE1 3.36Å; E134-Q205 HydrophobicContact CB-CG 4.47Å; E134-Q205 HydrophobicContact CG-CG 3.83Å; E134-C252 CarbonylContact O-C 3.51Å; E134-C252 VanDerWaalsContact O-CA 3.24Å; E134-C252 WeakPolarHBondContact O-CA 3.49Å; E134-H253 HydrophobicContact CB-CB 4.06Å; E134-H253 HydrophobicContact CG-CB 4.43Å; E134-H253 PolarHBondContact N-O 2.97Å; E134-H253 PolarHBondContact O-N 3.02Å; E134-H253 WeakPolarHBondContact OE2-CB 3.42Å; E134-H253 IonicContact OE2-CG 2.74Å; E134-H253 IonicContact OE2-ND1 3.78Å; E134-H253 PolarHBondContact OE2-ND1 2.93Å; E134-N255 PolarHBondContact OE1-ND2 3.32Å
135	Q	98.9	Very high	98.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	105.3	-177.5	177.1	68.6	73.4	0	0	110.5	E203 F204 L218 F238 A344	Q135-E203 VanDerWaalsContact O-CA 3.3Å; Q135-E203 WeakPolarHBondContact O-CA 3.43Å; Q135-F204 HydrophobicContact CB-CD1 4.23Å; Q135-F204 HydrophobicContact CB-CD2 4.08Å; Q135-F204 HydrophobicContact CB-CE1 3.85Å; Q135-F204 HydrophobicContact CB-CE2 3.69Å; Q135-F204 HydrophobicContact CB-CG 4.35Å; Q135-F204 HydrophobicContact CB-CZ 3.58Å; Q135-F204 HydrophobicContact CG-CD1 4.25Å; Q135-F204 HydrophobicContact CG-CE1 3.48Å; Q135-F204 VanDerWaalsContact CG-CE1 3.48Å; Q135-F204 HydrophobicContact CG-CE2 4.04Å; Q135-F204 HydrophobicContact CG-CZ 3.38Å; Q135-F204 PolarHBondContact N-O 3.22Å; Q135-F204 PolarHBondContact O-N 3.21Å; Q135-L218 HydrophobicContact CB-CD1 3.91Å; Q135-L218 HydrophobicContact CG-CD1 4.29Å; Q135-F238 HydrophobicContact CG-CD1 4.46Å; Q135-F238 HydrophobicContact CG-CE1 4.14Å; Q135-A344 PolarHBondContact NE2-O 2.9Å; Q135-A344 PolarHBondContact OE1-O 3.15Å
136	E	98.9	Very high	98.4	Very high	14 Å²	14	32.9 Å²	32.9	7%	0.065	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	147.8	168.5	-60.4	176.4	-161.9	0	0	111	E134 E196 Q201 W202 E203 A250 G251 H253 A344	E134-E136 PolarHBondContact O-N 3.42Å; E136-E196 HydrophobicContact CG-CG 4.13Å; E136-Q201 PolarHBondContact OE2-NE2 2.74Å; E136-Q201 VanDerWaalsContact OE2-NE2 3.08Å; E136-W202 CarbonylContact C-O 3.24Å; E136-W202 WeakPolarHBondContact CA-O 3.36Å; E136-E203 HydrophobicContact CG-CB 4.23Å; E136-E203 HydrophobicContact CG-CG 3.97Å; E136-A250 HydrophobicContact CB-CB 4.07Å; E136-A250 WeakPolarHBondContact OE2-CA 3.3Å; E136-G251 WeakPolarHBondContact CB-O 3.48Å; E136-G251 PolarHBondContact N-O 3.16Å; E136-G251 VanDerWaalsContact N-O 3.16Å; E136-G251 PolarHBondContact OE2-N 2.65Å; E136-H253 IonicContact OE1-CE1 3.2Å; E136-A344 WeakPolarHBondContact O-CB 3.39Å
137	Y	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	159.4	177.2	65.5	-80.3	0	0	0	111	L139 V176 Q201 W202 F204 L225 A236 T237 F238	Y137-L139 HydrophobicContact CD2-CD2 4.2Å; Y137-L139 HydrophobicContact CE2-CD2 3.8Å; Y137-L139 HydrophobicContact CE2-CG 4.12Å; Y137-V176 WeakPolarHBondContact OH-CG2 3.3Å; Y137-Q201 VanDerWaalsContact O-CA 3.31Å; Y137-Q201 WeakPolarHBondContact O-CA 3.16Å; Y137-Q201 VanDerWaalsContact O-CG 3.22Å; Y137-Q201 WeakPolarHBondContact O-CG 3.29Å; Y137-W202 HydrophobicContact CD1-CB 4.37Å; Y137-W202 VanDerWaalsContact CD1-O 3.3Å; Y137-W202 WeakPolarHBondContact CD1-O 3.22Å; Y137-W202 HydrophobicContact CE1-CB 3.64Å; Y137-W202 HydrophobicContact CE2-CB 4.02Å; Y137-W202 VanDerWaalsContact CZ-CB 3.48Å; Y137-W202 PolarHBondContact N-O 2.87Å; Y137-W202 PolarHBondContact O-N 3.46Å; Y137-F204 HydrophobicContact CD1-CD1 4.02Å; Y137-F204 HydrophobicContact CD1-CE1 4.11Å; Y137-F204 AromaticContact CE1-CD1 3.67Å; Y137-F204 HydrophobicContact CE1-CD1 3.67Å; Y137-F204 HydrophobicContact CE1-CE1 4.13Å; Y137-L225 HydrophobicContact CD1-CD2 3.96Å; Y137-L225 HydrophobicContact CD2-CD2 3.68Å; Y137-L225 HydrophobicContact CE1-CD2 4.09Å; Y137-L225 HydrophobicContact CE2-CD1 3.88Å; Y137-L225 HydrophobicContact CE2-CD2 3.78Å; Y137-L225 HydrophobicContact CE2-CG 4.43Å; Y137-L225 HydrophobicContact CG-CD2 3.75Å; Y137-A236 HydrophobicContact CD2-CB 4.16Å; Y137-T237 WeakPolarHBondContact CA-O 3.33Å; Y137-F238 HydrophobicContact CG-CE1 4.38Å
138	T	98.9	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.9	175.2	-57	0	0	0	0	111	M140 M198 T237 P242	T138-M140 HydrophobicContact CG2-SD 3.61Å; T138-M198 HydrophobicContact CG2-CE 3.29Å; T138-M198 WeakPolarHBondContact OG1-CE 3.49Å; T138-T237 PolarHBondContact N-O 2.93Å; T138-T237 PolarHBondContact O-N 3.42Å; T138-P242 WeakPolarHBondContact OG1-CG 3.19Å
139	L	98.9	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	131.1	171.4	-64.2	178.3	0	0	0	110.7	Y137 P146 F147 I175 A200 V234 I235	Y137-L139 HydrophobicContact CD2-CD2 4.2Å; Y137-L139 HydrophobicContact CE2-CD2 3.8Å; Y137-L139 HydrophobicContact CE2-CG 4.12Å; L139-P146 WeakPolarHBondContact O-CA 3.46Å; L139-F147 HydrophobicContact CB-CB 3.96Å; L139-F147 PolarHBondContact O-N 3.27Å; L139-I175 HydrophobicContact CD1-CB 4.35Å; L139-I175 HydrophobicContact CD1-CD1 4.26Å; L139-I175 HydrophobicContact CD2-CG2 4.18Å; L139-A200 HydrophobicContact CB-CB 4.47Å; L139-A200 PolarHBondContact N-O 2.93Å; L139-V234 HydrophobicContact CD2-CG2 4.23Å; L139-I235 CarbonylContact C-O 3.51Å; L139-I235 WeakPolarHBondContact CA-O 3.47Å
140	M	98.5	Very high	98.1	Very high	16 Å²	16	27.3 Å²	27.3	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148	-177.5	-48.5	-65.2	-76.5	0	0	110.4	T138 G144 H145 P146 V234 I235 T237	T138-M140 HydrophobicContact CG2-SD 3.61Å; M140-G144 WeakPolarHBondContact CE-O 3.42Å; M140-H145 CarbonylContact C-O 3.47Å; M140-H145 WeakPolarHBondContact CA-O 3.44Å; M140-P146 HydrophobicContact CE-CG 4.07Å; M140-P146 HydrophobicContact SD-CB 4.14Å; M140-P146 HydrophobicContact SD-CG 3.99Å; M140-V234 WeakPolarHBondContact O-CB 3.5Å; M140-I235 HydrophobicContact CB-CB 4.22Å; M140-I235 PolarHBondContact N-O 3.05Å; M140-I235 PolarHBondContact O-N 2.77Å; M140-T237 HydrophobicContact CG-CG2 3.7Å; M140-T237 HydrophobicContact SD-CG2 4.09Å
141	G	98	Very high	97.9	Very high	3 Å²	3	28 Å²	28	3%	0.031	18%	0.179	C	C	.	.			trans	-70.7	170.7	161.2	0	0	0	0	0	111.6	T2 D143 G144 H145	T2-G141 CarbonylContact O-C 3.4Å; T2-G141 WeakPolarHBondContact O-CA 3.05Å; G141-D143 PolarHBondContact O-N 2.92Å; G141-G144 PolarHBondContact O-N 3.29Å; G141-G144 VanDerWaalsContact O-N 3.11Å; G141-H145 PolarHBondContact N-O 3.31Å
142	T	97.9	Very high	97.5	Very high	70 Å²	70	35.5 Å²	35.5	43%	0.429	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-11.3	178.3	56.7	0	0	0	0	113.5	T2 G144	T2-T142 PolarHBondContact O-N 2.95Å; T2-T142 PolarHBondContact O-OG1 3.07Å; T142-G144 VanDerWaalsContact C-N 3.28Å
143	D	96.9	Very high	97.3	Very high	95 Å²	95	35.8 Å²	35.8	51%	0.508	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.9	170.4	58.5	10.3	0	0	0	113.6	T2 G141 H145	T2-D143 WeakPolarHBondContact CB-OD2 3.36Å; T2-D143 HydrophobicContact CG2-CB 4.06Å; T2-D143 WeakPolarHBondContact CG2-OD2 3.31Å; T2-D143 PolarHBondContact OG1-N 3.02Å; T2-D143 PolarHBondContact OG1-OD1 2.99Å; T2-D143 PolarHBondContact OG1-OD2 2.82Å; G141-D143 PolarHBondContact O-N 2.92Å; D143-H145 VanDerWaalsContact C-N 3.3Å; D143-H145 VanDerWaalsContact OD1-CB 3.24Å; D143-H145 WeakPolarHBondContact OD1-CB 3.33Å; D143-H145 PolarHBondContact OD1-N 3.01Å
144	G	96.3	Very high	97.2	Very high	49 Å²	49	42.2 Å²	42.2	51%	0.505	25%	0.25	S	C	.	.	S	Bend	trans	77.1	13.6	-175.9	0	0	0	0	0	114	M140 G141 T142	M140-G144 WeakPolarHBondContact CE-O 3.42Å; G141-G144 PolarHBondContact O-N 3.29Å; G141-G144 VanDerWaalsContact O-N 3.11Å; T142-G144 VanDerWaalsContact C-N 3.28Å
145	H	97.1	Very high	97.1	Very high	45 Å²	45	41.6 Å²	41.6	21%	0.208	25%	0.249	C	C	.	.	S	Bend	trans	-95.9	145.3	171.1	-162.1	66.2	0	0	0	110.7	M140 G141 D143 F147 W149 P150 G153	M140-H145 CarbonylContact C-O 3.47Å; M140-H145 WeakPolarHBondContact CA-O 3.44Å; G141-H145 PolarHBondContact N-O 3.31Å; D143-H145 VanDerWaalsContact C-N 3.3Å; D143-H145 VanDerWaalsContact OD1-CB 3.24Å; D143-H145 WeakPolarHBondContact OD1-CB 3.33Å; D143-H145 PolarHBondContact OD1-N 3.01Å; H145-F147 PolarHBondContact O-N 3.42Å; H145-W149 WeakPolarHBondContact NE2-CB 3.42Å; H145-W149 AromaticContact NE2-CE3 3.97Å; H145-P150 PolarHBondContact NE2-O 3.25Å; H145-G153 PolarHBondContact CE1-O 3.06Å; H145-G153 VanDerWaalsContact CE1-O 3.31Å; H145-G153 PolarHBondContact NE2-O 2.89Å
146	P	98	Very high	97	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.019	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-58.1	138.8	179.7	-25.4	35	0	0	0	113.1	L139 M140 G148 W149 I243	L139-P146 WeakPolarHBondContact O-CA 3.46Å; M140-P146 HydrophobicContact CE-CG 4.07Å; M140-P146 HydrophobicContact SD-CB 4.14Å; M140-P146 HydrophobicContact SD-CG 3.99Å; P146-G148 PolarHBondContact O-N 2.97Å; P146-W149 HydrophobicContact CB-CB 4.44Å; P146-W149 HydrophobicContact CB-CD2 3.7Å; P146-W149 HydrophobicContact CB-CE3 4.39Å; P146-W149 HydrophobicContact CB-CG 3.69Å; P146-W149 HydrophobicContact CB-CZ2 4.34Å; P146-W149 HydrophobicContact CG-CD2 3.85Å; P146-W149 HydrophobicContact CG-CE3 4.04Å; P146-W149 HydrophobicContact CG-CG 4.31Å; P146-W149 HydrophobicContact CG-CH2 4.4Å; P146-W149 HydrophobicContact CG-CZ2 4.21Å; P146-W149 HydrophobicContact CG-CZ3 4.3Å; P146-W149 WeakPolarHBondContact O-CB 3.39Å; P146-W149 PolarHBondContact O-N 3.43Å; P146-I243 HydrophobicContact CG-CD1 3.5Å; P146-I243 HydrophobicContact CG-CG1 3.77Å
147	F	98	Very high	96.9	Very high	40 Å²	40	48 Å²	48	18%	0.175	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	132.9	-174.9	179.8	-99.3	0	0	0	111.1	M1 T3 L139 H145 W149 A200 V234	M1-F147 HydrophobicContact SD-CD2 4.03Å; M1-F147 HydrophobicContact SD-CE1 4.28Å; M1-F147 HydrophobicContact SD-CE2 3.63Å; M1-F147 HydrophobicContact SD-CZ 3.77Å; T3-F147 HydrophobicContact CG2-CE2 4.12Å; L139-F147 HydrophobicContact CB-CB 3.96Å; L139-F147 PolarHBondContact O-N 3.27Å; H145-F147 PolarHBondContact O-N 3.42Å; F147-W149 PolarHBondContact O-N 3.19Å; F147-A200 WeakPolarHBondContact O-CB 3.3Å; F147-V234 HydrophobicContact CD2-CG1 3.49Å; F147-V234 VanDerWaalsContact CD2-CG1 3.49Å; F147-V234 HydrophobicContact CE2-CG1 3.69Å; F147-V234 HydrophobicContact CG-CG1 4.1Å; F147-V234 HydrophobicContact CZ-CG1 4.44Å
148	G	96.8	Very high	96.9	Very high	20 Å²	20	50.3 Å²	50.3	21%	0.206	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	80	-5.2	-178.2	0	0	0	0	0	115.3	M1 P146	M1-G148 VanDerWaalsContact SD-CA 3.54Å; M1-G148 PolarHBondContact SD-N 2.78Å; P146-G148 PolarHBondContact O-N 2.97Å
149	W	97.4	Very high	96.8	Very high	11 Å²	11	53.1 Å²	53.1	4%	0.042	34%	0.338	C	S	.	.	S	Bend	trans	-72.2	153.8	174.3	-75.8	36.1	0	0	0	111.9	H145 P146 F147 S151 F154 P155 M198 P199 I243 W247	H145-W149 WeakPolarHBondContact NE2-CB 3.42Å; H145-W149 AromaticContact NE2-CE3 3.97Å; P146-W149 HydrophobicContact CB-CB 4.44Å; P146-W149 HydrophobicContact CB-CD2 3.7Å; P146-W149 HydrophobicContact CB-CE3 4.39Å; P146-W149 HydrophobicContact CB-CG 3.69Å; P146-W149 HydrophobicContact CB-CZ2 4.34Å; P146-W149 HydrophobicContact CG-CD2 3.85Å; P146-W149 HydrophobicContact CG-CE3 4.04Å; P146-W149 HydrophobicContact CG-CG 4.31Å; P146-W149 HydrophobicContact CG-CH2 4.4Å; P146-W149 HydrophobicContact CG-CZ2 4.21Å; P146-W149 HydrophobicContact CG-CZ3 4.3Å; P146-W149 WeakPolarHBondContact O-CB 3.39Å; P146-W149 PolarHBondContact O-N 3.43Å; F147-W149 PolarHBondContact O-N 3.19Å; W149-S151 PolarHBondContact O-N 3.3Å; W149-F154 HydrophobicContact CE3-CD1 4.24Å; W149-F154 HydrophobicContact CH2-CD1 4.27Å; W149-F154 AromaticContact CZ3-CD1 3.48Å; W149-F154 HydrophobicContact CZ3-CD1 3.48Å; W149-F154 VanDerWaalsContact CZ3-CD1 3.48Å; W149-F154 AromaticContact CZ3-CE1 3.99Å; W149-F154 HydrophobicContact CZ3-CE1 3.99Å; W149-F154 HydrophobicContact CZ3-CG 4.42Å; W149-P155 HydrophobicContact CD2-CG 3.82Å; W149-P155 HydrophobicContact CE3-CG 4.3Å; W149-P155 HydrophobicContact CG-CG 4.16Å; W149-P155 HydrophobicContact CH2-CG 4.48Å; W149-P155 HydrophobicContact CZ2-CG 4.03Å; W149-M198 HydrophobicContact CH2-SD 4.43Å; W149-M198 HydrophobicContact CZ2-CG 3.88Å; W149-M198 HydrophobicContact CZ2-SD 4.06Å; W149-P199 HydrophobicContact CZ2-CG 3.89Å; W149-P199 PolarHBondContact NE1-O 3.37Å; W149-I243 HydrophobicContact CH2-CG1 4.2Å; W149-I243 HydrophobicContact CH2-CG2 4.22Å; W149-I243 HydrophobicContact CZ3-CG2 4.37Å; W149-W247 AromaticContact CH2-CD2 3.69Å; W149-W247 HydrophobicContact CH2-CD2 3.69Å; W149-W247 AromaticContact CH2-CE2 3.61Å; W149-W247 HydrophobicContact CH2-CE3 4.01Å; W149-W247 HydrophobicContact CH2-CG 4.18Å; W149-W247 HydrophobicContact CH2-CH2 4.18Å; W149-W247 AromaticContact CH2-CZ2 3.88Å; W149-W247 HydrophobicContact CH2-CZ2 3.88Å; W149-W247 HydrophobicContact CH2-CZ3 4.23Å; W149-W247 HydrophobicContact CZ2-CD2 4.28Å; W149-W247 HydrophobicContact CZ2-CE3 4.14Å; W149-W247 HydrophobicContact CZ2-CH2 4.45Å; W149-W247 HydrophobicContact CZ2-CZ3 4.23Å; W149-W247 HydrophobicContact CZ3-CZ2 4.31Å
150	P	96.2	Very high	96.7	Very high	63 Å²	63	55.6 Å²	55.6	41%	0.409	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-58.2	138.1	174.2	-23.3	35.3	0	0	0	111.4	H145 N152 G153	H145-P150 PolarHBondContact NE2-O 3.25Å; P150-N152 PolarHBondContact O-N 2.91Å; P150-G153 PolarHBondContact O-N 3.43Å
151	S	94	Very high	96.7	Very high	111 Å²	111	55.2 Å²	55.2	78%	0.776	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	123.2	-179.7	-167.4	0	0	0	0	111.2	W149 G153	W149-S151 PolarHBondContact O-N 3.3Å; S151-G153 PolarHBondContact O-N 3.5Å
152	N	92.1	Very high	96.8	Very high	159 Å²	159	60.7 Å²	60.7	85%	0.85	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	29	-175.3	-60.9	-25.1	0	0	0	114	P150	P150-N152 PolarHBondContact O-N 2.91Å
153	G	94.7	Very high	96.8	Very high	19 Å²	19	61 Å²	61	20%	0.196	38%	0.377	C	S	.	.	S	Bend	trans	-140.2	-170.8	-173.8	0	0	0	0	0	113.2	H145 P150 S151	H145-G153 PolarHBondContact CE1-O 3.06Å; H145-G153 VanDerWaalsContact CE1-O 3.31Å; H145-G153 PolarHBondContact NE2-O 2.89Å; P150-G153 PolarHBondContact O-N 3.43Å; S151-G153 PolarHBondContact O-N 3.5Å
154	F	96.4	Very high	96.9	Very high	136 Å²	136	57 Å²	57	60%	0.596	36%	0.358	S	S	*	.			trans	-124.5	144.6	179.1	-63.2	-88.3	0	0	0	109.2	W149 I243 W247	W149-F154 HydrophobicContact CE3-CD1 4.24Å; W149-F154 HydrophobicContact CH2-CD1 4.27Å; W149-F154 AromaticContact CZ3-CD1 3.48Å; W149-F154 HydrophobicContact CZ3-CD1 3.48Å; W149-F154 VanDerWaalsContact CZ3-CD1 3.48Å; W149-F154 AromaticContact CZ3-CE1 3.99Å; W149-F154 HydrophobicContact CZ3-CE1 3.99Å; W149-F154 HydrophobicContact CZ3-CG 4.42Å; F154-I243 HydrophobicContact CE1-CG2 4.44Å; F154-W247 HydrophobicContact CB-CZ2 4.12Å; F154-W247 AromaticContact CD1-CE2 3.9Å; F154-W247 AromaticContact CD1-CZ2 3.76Å; F154-W247 HydrophobicContact CD1-CZ2 3.76Å; F154-W247 AromaticContact CD1-NE1 3.57Å; F154-W247 AromaticContact CE1-NE1 3.72Å; F154-W247 HydrophobicContact CG-CZ2 4.36Å
155	P	96.8	Very high	97	Very high	19 Å²	19	60.5 Å²	60.5	12%	0.123	37%	0.369	C	S	.	.			trans	-68.8	179.7	166.2	31.9	-33.5	0	0	0	109.9	W149 P199 W247	W149-P155 HydrophobicContact CD2-CG 3.82Å; W149-P155 HydrophobicContact CE3-CG 4.3Å; W149-P155 HydrophobicContact CG-CG 4.16Å; W149-P155 HydrophobicContact CH2-CG 4.48Å; W149-P155 HydrophobicContact CZ2-CG 4.03Å; P155-P199 HydrophobicContact CB-CG 4.24Å; P155-P199 HydrophobicContact CG-CB 4.31Å; P155-P199 HydrophobicContact CG-CG 3.4Å; P155-W247 HydrophobicContact CG-CH2 3.84Å; P155-W247 HydrophobicContact CG-CZ3 4.31Å
156	G	96.4	Very high	97	Very high	39 Å²	39	60.1 Å²	60.1	40%	0.402	38%	0.377	S	S	.	.	S	Bend	trans	-58.7	166.2	171.2	0	0	0	0	0	112.5	Y161 W247	G156-Y161 VanDerWaalsContact C-OH 3.25Å; G156-Y161 WeakPolarHBondContact CA-OH 3.25Å; G156-Y161 PolarHBondContact N-OH 3.29Å; G156-Y161 PolarHBondContact O-OH 2.94Å; G156-W247 WeakPolarHBondContact O-CH2 3.5Å
157	P	97.1	Very high	97	Very high	111 Å²	111	64.6 Å²	64.6	72%	0.721	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-59.2	155.5	-178.8	26.5	-35.2	0	0	0	112.5	P160 Y161	P157-P160 WeakPolarHBondContact O-CD 3.3Å; P157-Y161 VanDerWaalsContact O-CE2 3.28Å; P157-Y161 WeakPolarHBondContact O-CE2 3.4Å
158	Q	97.8	Very high	97	Very high	48 Å²	48	66.8 Å²	66.8	22%	0.224	43%	0.428	C	S	.	.	S	Bend	trans	-57.2	150.8	175.4	-55.5	-167.6	141.5	0	0	112	V197 W247 N248	Q158-V197 HydrophobicContact CB-CG1 4.04Å; Q158-V197 HydrophobicContact CG-CG1 4.41Å; Q158-W247 HydrophobicContact CG-CE3 3.51Å; Q158-W247 HydrophobicContact CG-CZ3 3.62Å; Q158-W247 VanDerWaalsContact OE1-CA 3.27Å; Q158-N248 PolarHBondContact NE2-OD1 3.31Å
159	G	97	Very high	97.1	Very high	58 Å²	58	70 Å²	70	60%	0.598	43%	0.434	S	S	*	.	S	Bend	trans	142.1	-58.5	-175.8	0	0	0	0	0	112.7	Y161	G159-Y161 VanDerWaalsContact C-N 3.31Å; G159-Y161 PolarHBondContact O-N 3.38Å
160	P	98	Very high	97.1	Very high	52 Å²	52	70.2 Å²	70.2	34%	0.338	44%	0.438	S	S	.	.	S	Bend	trans	-80.9	-8.6	-174.2	32.9	-36.3	0	0	0	114.3	P157 R169	P157-P160 WeakPolarHBondContact O-CD 3.3Å; P160-R169 WeakPolarHBondContact O-CD 3.4Å
161	Y	98.5	Very high	97.2	Very high	9 Å²	9	69.2 Å²	69.2	4%	0.035	43%	0.426	C	S	.	.			trans	-88.3	-35.9	-169.6	-46.4	-66.6	0	0	0	114	G156 P157 G159 C163 G164 P199	G156-Y161 VanDerWaalsContact C-OH 3.25Å; G156-Y161 WeakPolarHBondContact CA-OH 3.25Å; G156-Y161 PolarHBondContact N-OH 3.29Å; G156-Y161 PolarHBondContact O-OH 2.94Å; P157-Y161 VanDerWaalsContact O-CE2 3.28Å; P157-Y161 WeakPolarHBondContact O-CE2 3.4Å; G159-Y161 VanDerWaalsContact C-N 3.31Å; G159-Y161 PolarHBondContact O-N 3.38Å; Y161-C163 PolarHBondContact O-N 3Å; Y161-G164 WeakPolarHBondContact O-CA 3.45Å; Y161-G164 PolarHBondContact O-N 3.3Å; Y161-P199 HydrophobicContact CD1-CB 3.73Å; Y161-P199 HydrophobicContact CD1-CG 4.28Å; Y161-P199 HydrophobicContact CD2-CB 4.16Å; Y161-P199 VanDerWaalsContact CD2-CD 3.49Å; Y161-P199 HydrophobicContact CD2-CG 3.92Å; Y161-P199 HydrophobicContact CE1-CB 3.88Å; Y161-P199 HydrophobicContact CE1-CG 4.15Å; Y161-P199 HydrophobicContact CE2-CB 4.28Å; Y161-P199 HydrophobicContact CE2-CG 3.75Å; Y161-P199 HydrophobicContact CG-CB 3.87Å; Y161-P199 HydrophobicContact CG-CG 4.16Å
162	Y	98.6	Very high	97.4	Very high	117 Å²	117	64.3 Å²	64.3	46%	0.459	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	122.4	-179.2	179.8	-103.9	0	0	0	110.5	G164 A195 V197	Y162-G164 PolarHBondContact O-N 3.48Å; Y162-A195 WeakPolarHBondContact CD2-O 3.32Å; Y162-V197 HydrophobicContact CD2-CG2 3.96Å; Y162-V197 HydrophobicContact CG-CG2 4.36Å
163	C	98.5	Very high	97.7	Very high	77 Å²	77	60.8 Å²	60.8	52%	0.52	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	25	-172.8	-66.5	0	0	0	0	114.2	Y161 A195	Y161-C163 PolarHBondContact O-N 3Å; C163-A195 PolarHBondContact N-O 2.94Å
164	G	98.3	Very high	97.9	Very high	10 Å²	10	65.2 Å²	65.2	10%	0.103	39%	0.388	C	S	.	.			trans	-70.7	155.6	-175.6	0	0	0	0	0	113.2	Y161 Y162 R173	Y161-G164 WeakPolarHBondContact O-CA 3.45Å; Y161-G164 PolarHBondContact O-N 3.3Å; Y162-G164 PolarHBondContact O-N 3.48Å; G164-R173 PolarHBondContact O-NH2 3.33Å
165	V	98.7	Very high	98	Very high	124 Å²	124	59 Å²	59	75%	0.752	36%	0.36	S	S	*	.			trans	-134	144.2	174.2	64.4	0	0	0	0	109.3	R169	V165-R169 WeakPolarHBondContact O-CG 3.24Å
166	G	98.2	Very high	98.1	Very high	37 Å²	37	58.2 Å²	58.2	38%	0.381	36%	0.356	S	S	.	.	S	Bend	trans	110.2	157.7	-174.3	0	0	0	0	0	113	D168 R169 A170	G166-D168 VanDerWaalsContact C-N 3.25Å; G166-D168 PolarHBondContact O-N 3.42Å; G166-R169 PolarHBondContact O-N 3.4Å; G166-R169 VanDerWaalsContact O-N 3.15Å; G166-A170 PolarHBondContact O-N 2.96Å; G166-A170 VanDerWaalsContact O-N 3.12Å
167	A	97.9	Very high	98.2	Very high	96 Å²	96	61.3 Å²	61.3	79%	0.793	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-26	-173.1	0	0	0	0	0	113.5	R169 Y171	A167-R169 VanDerWaalsContact C-N 3.33Å; A167-Y171 WeakPolarHBondContact O-CE1 3.23Å
168	D	97.5	Very high	98.3	Very high	86 Å²	86	57.7 Å²	57.7	46%	0.46	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	10.2	178	67.6	-43.3	0	0	0	113.3	G166	G166-D168 VanDerWaalsContact C-N 3.25Å; G166-D168 PolarHBondContact O-N 3.42Å
169	R	98	Very high	98.4	Very high	87 Å²	87	55.5 Å²	55.5	33%	0.328	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-48	-174.9	-56.1	-62	177.4	-130.8	1.4	113.1	P160 V165 G166 A167	P160-R169 WeakPolarHBondContact O-CD 3.4Å; V165-R169 WeakPolarHBondContact O-CG 3.24Å; G166-R169 PolarHBondContact O-N 3.4Å; G166-R169 VanDerWaalsContact O-N 3.15Å; A167-R169 VanDerWaalsContact C-N 3.33Å
170	A	98.5	Very high	98.5	Very high	16 Å²	16	55.7 Å²	55.7	13%	0.132	31%	0.312	C	S	.	.			trans	-120.5	95.5	-166	0	0	0	0	0	112.4	G166 W202	G166-A170 PolarHBondContact O-N 2.96Å; G166-A170 VanDerWaalsContact O-N 3.12Å; A170-W202 HydrophobicContact CB-CH2 4Å; A170-W202 HydrophobicContact CB-CZ2 4.31Å
171	Y	98.1	Very high	98.5	Very high	42 Å²	42	61.8 Å²	61.8	17%	0.165	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	122.3	-176.4	-49	-32.8	0	0	0	111.6	A167 P199 A200 W202	A167-Y171 WeakPolarHBondContact O-CE1 3.23Å; Y171-P199 HydrophobicContact CD2-CB 3.89Å; Y171-P199 HydrophobicContact CE2-CB 3.61Å; Y171-A200 HydrophobicContact CD2-CB 4.37Å; Y171-W202 WeakPolarHBondContact O-CZ2 3.39Å; Y171-W202 PolarHBondContact O-NE1 3.13Å
172	G	98.1	Very high	98.5	Very high	9 Å²	9	61.9 Å²	61.9	9%	0.093	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	23.9	174.4	0	0	0	0	0	115.5	D174 I175	G172-D174 PolarHBondContact O-N 3.47Å; G172-D174 VanDerWaalsContact O-N 3.13Å; G172-I175 WeakPolarHBondContact O-CB 3.17Å; G172-I175 WeakPolarHBondContact O-CD1 3.45Å; G172-I175 PolarHBondContact O-N 3.08Å; G172-I175 VanDerWaalsContact O-N 3.08Å
173	R	98.8	Very high	98.5	Very high	85 Å²	85	56.3 Å²	56.3	32%	0.321	31%	0.309	S	S	.	.	H	α-helix	trans	-54.5	-31.8	179.4	-172.7	177.9	-59.9	-80.2	-0.6	113.4	G164 I175 V176 E177 W202	G164-R173 PolarHBondContact O-NH2 3.33Å; R173-I175 PolarHBondContact O-N 3.18Å; R173-V176 WeakPolarHBondContact O-CA 3.29Å; R173-V176 WeakPolarHBondContact O-CB 3.34Å; R173-V176 PolarHBondContact O-N 2.87Å; R173-E177 HydrophobicContact CG-CG 3.98Å; R173-E177 WeakPolarHBondContact O-CG 3.37Å; R173-E177 PolarHBondContact O-N 2.84Å; R173-W202 HydrophobicContact CB-CH2 3.82Å; R173-W202 HydrophobicContact CB-CZ2 4.19Å; R173-W202 HydrophobicContact CG-CH2 4.09Å
174	D	98.7	Very high	98.6	Very high	112 Å²	112	56.9 Å²	56.9	60%	0.599	31%	0.307	S	S	*	.	H	α-helix	trans	-57.5	-37.1	178.2	-58.8	-59.7	0	0	0	112.9	G172 V176 A178 F232	G172-D174 PolarHBondContact O-N 3.47Å; G172-D174 VanDerWaalsContact O-N 3.13Å; D174-V176 VanDerWaalsContact C-N 3.33Å; D174-A178 VanDerWaalsContact O-CB 3.23Å; D174-A178 WeakPolarHBondContact O-CB 3.48Å; D174-A178 PolarHBondContact O-N 3.49Å; D174-F232 HydrophobicContact CB-CE1 3.84Å; D174-F232 HydrophobicContact CB-CZ 3.89Å
175	I	98.9	Very high	98.6	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-44.9	175	-70.7	87.6	0	0	0	109.7	L139 G172 R173 A178 H179 L225 V228 F232 V234	L139-I175 HydrophobicContact CD1-CB 4.35Å; L139-I175 HydrophobicContact CD1-CD1 4.26Å; L139-I175 HydrophobicContact CD2-CG2 4.18Å; G172-I175 WeakPolarHBondContact O-CB 3.17Å; G172-I175 WeakPolarHBondContact O-CD1 3.45Å; G172-I175 PolarHBondContact O-N 3.08Å; G172-I175 VanDerWaalsContact O-N 3.08Å; R173-I175 PolarHBondContact O-N 3.18Å; I175-A178 PolarHBondContact O-N 3.49Å; I175-H179 WeakPolarHBondContact O-CB 3.17Å; I175-H179 PolarHBondContact O-N 3.48Å; I175-L225 HydrophobicContact CG2-CD1 3.85Å; I175-V228 HydrophobicContact CG2-CG1 4.1Å; I175-F232 HydrophobicContact CD1-CB 4.18Å; I175-F232 HydrophobicContact CD1-CD1 4.44Å; I175-F232 HydrophobicContact CD1-CD2 4.42Å; I175-F232 HydrophobicContact CD1-CG 4.11Å; I175-F232 HydrophobicContact CG1-CB 4.1Å; I175-F232 HydrophobicContact CG1-CD2 3.86Å; I175-F232 HydrophobicContact CG1-CE2 4.49Å; I175-F232 HydrophobicContact CG1-CG 4Å; I175-V234 HydrophobicContact CD1-CG2 4.08Å; I175-V234 HydrophobicContact CG1-CG2 3.96Å
176	V	98.9	Very high	98.6	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.024	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-47.2	-177.4	-176.5	0	0	0	0	111.1	Y137 R173 D174 A178 H179 Y180 T193 W202	Y137-V176 WeakPolarHBondContact OH-CG2 3.3Å; R173-V176 WeakPolarHBondContact O-CA 3.29Å; R173-V176 WeakPolarHBondContact O-CB 3.34Å; R173-V176 PolarHBondContact O-N 2.87Å; D174-V176 VanDerWaalsContact C-N 3.33Å; V176-A178 PolarHBondContact O-N 3.01Å; V176-H179 PolarHBondContact O-N 2.88Å; V176-Y180 WeakPolarHBondContact O-CB 3.18Å; V176-Y180 PolarHBondContact O-N 2.88Å; V176-T193 HydrophobicContact CG1-CG2 3.89Å; V176-T193 VanDerWaalsContact CG1-OG1 3.26Å; V176-T193 WeakPolarHBondContact CG1-OG1 3.33Å; V176-W202 HydrophobicContact CB-CE3 4.28Å; V176-W202 HydrophobicContact CB-CZ3 4.45Å; V176-W202 HydrophobicContact CG1-CE3 4.21Å; V176-W202 HydrophobicContact CG1-CZ3 4.48Å; V176-W202 HydrophobicContact CG2-CB 4.21Å; V176-W202 HydrophobicContact CG2-CD2 3.36Å; V176-W202 HydrophobicContact CG2-CE3 3.47Å; V176-W202 VanDerWaalsContact CG2-CE3 3.47Å; V176-W202 HydrophobicContact CG2-CG 3.69Å; V176-W202 HydrophobicContact CG2-CH2 4.32Å; V176-W202 HydrophobicContact CG2-CZ2 4.24Å; V176-W202 HydrophobicContact CG2-CZ3 3.95Å
177	E	98.9	Very high	98.6	Very high	103 Å²	103	54.3 Å²	54.3	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-63.3	-43.4	178.6	-64.5	-67.8	165.7	0	0	111.6	R173 Y180 R181	R173-E177 HydrophobicContact CG-CG 3.98Å; R173-E177 WeakPolarHBondContact O-CG 3.37Å; R173-E177 PolarHBondContact O-N 2.84Å; E177-Y180 PolarHBondContact O-N 3.4Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.17Å; E177-R181 VanDerWaalsContact O-N 3.14Å
178	A	98.9	Very high	98.7	Very high	36 Å²	36	50 Å²	50	30%	0.298	25%	0.248	S	C	.	.	H	α-helix	trans	-65.5	-45.3	177.1	0	0	0	0	0	111.8	D174 I175 V176 Y180 R181 A182 V228 F232	D174-A178 VanDerWaalsContact O-CB 3.23Å; D174-A178 WeakPolarHBondContact O-CB 3.48Å; D174-A178 PolarHBondContact O-N 3.49Å; I175-A178 PolarHBondContact O-N 3.49Å; V176-A178 PolarHBondContact O-N 3.01Å; A178-Y180 VanDerWaalsContact C-N 3.35Å; A178-Y180 PolarHBondContact O-N 3.49Å; A178-R181 PolarHBondContact O-N 2.88Å; A178-A182 VanDerWaalsContact O-CB 3.25Å; A178-A182 WeakPolarHBondContact O-CB 3.35Å; A178-A182 PolarHBondContact O-N 3.41Å; A178-V228 HydrophobicContact CB-CG1 3.86Å; A178-F232 HydrophobicContact CB-CE2 4.06Å
179	H	98.9	Very high	98.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-44.4	176	173.2	-102.3	0	0	0	111.8	I175 V176 R181 A182 C183 F204 A221 L225	I175-H179 WeakPolarHBondContact O-CB 3.17Å; I175-H179 PolarHBondContact O-N 3.48Å; V176-H179 PolarHBondContact O-N 2.88Å; H179-R181 PolarHBondContact O-N 2.99Å; H179-A182 PolarHBondContact O-N 3.02Å; H179-C183 VanDerWaalsContact CE1-SG 3.58Å; H179-C183 PolarHBondContact NE2-SG 3.39Å; H179-C183 VanDerWaalsContact NE2-SG 3.39Å; H179-C183 WeakPolarHBondContact O-CB 3.43Å; H179-C183 PolarHBondContact O-N 2.98Å; H179-C183 PolarHBondContact O-SG 2.98Å; H179-C183 VanDerWaalsContact O-SG 3.41Å; H179-F204 AromaticContact CE1-CD1 3.64Å; H179-F204 AromaticContact CE1-CE1 3.89Å; H179-F204 AromaticContact CE1-CG 3.71Å; H179-A221 PolarHBondContact NE2-O 3.41Å; H179-L225 HydrophobicContact CB-CD1 4.37Å; H179-L225 VanDerWaalsContact CD2-CA 3.49Å; H179-L225 WeakPolarHBondContact CD2-CA 3.43Å; H179-L225 PolarHBondContact CD2-N 3.26Å
180	Y	98.9	Very high	98.8	Very high	62 Å²	62	47.7 Å²	47.7	24%	0.243	24%	0.237	C	C	.	.	H	α-helix	trans	-58.3	-52.2	178.5	-158.4	-52.1	0	0	0	110.4	V176 E177 A178 A182 C183 L184 I190 T193	V176-Y180 WeakPolarHBondContact O-CB 3.18Å; V176-Y180 PolarHBondContact O-N 2.88Å; E177-Y180 PolarHBondContact O-N 3.4Å; A178-Y180 VanDerWaalsContact C-N 3.35Å; A178-Y180 PolarHBondContact O-N 3.49Å; Y180-A182 VanDerWaalsContact C-N 3.32Å; Y180-A182 PolarHBondContact O-N 3.39Å; Y180-C183 PolarHBondContact O-N 3.33Å; Y180-L184 HydrophobicContact CD1-CD1 3.67Å; Y180-L184 HydrophobicContact CD1-CG 3.82Å; Y180-L184 HydrophobicContact CE1-CD1 3.68Å; Y180-L184 HydrophobicContact CE1-CD2 4.13Å; Y180-L184 HydrophobicContact CE1-CG 3.84Å; Y180-L184 WeakPolarHBondContact O-CG 3.33Å; Y180-L184 PolarHBondContact O-N 3.2Å; Y180-I190 HydrophobicContact CD1-CD1 4.23Å; Y180-I190 HydrophobicContact CD1-CG2 4.12Å; Y180-I190 HydrophobicContact CD2-CD1 4.07Å; Y180-I190 HydrophobicContact CE1-CD1 4.49Å; Y180-I190 HydrophobicContact CE1-CG2 3.87Å; Y180-I190 HydrophobicContact CE2-CD1 4.38Å; Y180-I190 HydrophobicContact CG-CD1 3.99Å; Y180-T193 HydrophobicContact CD2-CG2 3.61Å; Y180-T193 HydrophobicContact CE2-CG2 3.79Å
181	R	98.9	Very high	98.8	Very high	179 Å²	179	49.9 Å²	49.9	68%	0.675	26%	0.255	S	S	*	.	H	α-helix	trans	-64.7	-37.6	-179.8	-65.1	-69.2	-106	141.7	-4.3	112	E177 A178 H179 L184 Y185	E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.17Å; E177-R181 VanDerWaalsContact O-N 3.14Å; A178-R181 PolarHBondContact O-N 2.88Å; H179-R181 PolarHBondContact O-N 2.99Å; R181-L184 PolarHBondContact O-N 2.81Å; R181-Y185 WeakPolarHBondContact O-CB 3.19Å; R181-Y185 PolarHBondContact O-N 2.99Å
182	A	98.9	Very high	98.8	Very high	12 Å²	12	48.4 Å²	48.4	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-63.3	-43.8	175.9	0	0	0	0	0	111.7	P88 A178 H179 Y180 Y185 A186 I224	P88-A182 HydrophobicContact CB-CB 3.74Å; P88-A182 HydrophobicContact CG-CB 3.91Å; A178-A182 VanDerWaalsContact O-CB 3.25Å; A178-A182 WeakPolarHBondContact O-CB 3.35Å; A178-A182 PolarHBondContact O-N 3.41Å; H179-A182 PolarHBondContact O-N 3.02Å; Y180-A182 VanDerWaalsContact C-N 3.32Å; Y180-A182 PolarHBondContact O-N 3.39Å; A182-Y185 PolarHBondContact O-N 2.92Å; A182-A186 VanDerWaalsContact O-CB 3.24Å; A182-A186 WeakPolarHBondContact O-CB 3.49Å; A182-A186 PolarHBondContact O-N 3.4Å; A182-I224 HydrophobicContact CB-CG2 3.51Å
183	C	98.9	Very high	98.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.8	-48	174.7	-75.4	0	0	0	0	111.9	H179 Y180 Y185 A186 G187 V188 I190	H179-C183 VanDerWaalsContact CE1-SG 3.58Å; H179-C183 PolarHBondContact NE2-SG 3.39Å; H179-C183 VanDerWaalsContact NE2-SG 3.39Å; H179-C183 WeakPolarHBondContact O-CB 3.43Å; H179-C183 PolarHBondContact O-N 2.98Å; H179-C183 PolarHBondContact O-SG 2.98Å; H179-C183 VanDerWaalsContact O-SG 3.41Å; Y180-C183 PolarHBondContact O-N 3.33Å; C183-Y185 VanDerWaalsContact C-N 3.34Å; C183-Y185 PolarHBondContact O-N 2.72Å; C183-A186 PolarHBondContact O-N 2.75Å; C183-G187 PolarHBondContact O-N 2.95Å; C183-G187 VanDerWaalsContact O-N 3.12Å; C183-V188 HydrophobicContact CB-CB 3.95Å; C183-V188 HydrophobicContact CB-CG1 4.24Å; C183-V188 PolarHBondContact O-N 3.02Å; C183-I190 HydrophobicContact CB-CB 4.03Å; C183-I190 HydrophobicContact CB-CD1 4.15Å; C183-I190 HydrophobicContact CB-CG2 3.82Å
184	L	98.9	Very high	98.9	Very high	88 Å²	88	47.6 Å²	47.6	46%	0.461	26%	0.255	S	S	.	.	H	α-helix	trans	-58.1	-46	176.1	-72.7	177.8	0	0	0	111.9	Y180 R181 G187 I190	Y180-L184 HydrophobicContact CD1-CD1 3.67Å; Y180-L184 HydrophobicContact CD1-CG 3.82Å; Y180-L184 HydrophobicContact CE1-CD1 3.68Å; Y180-L184 HydrophobicContact CE1-CD2 4.13Å; Y180-L184 HydrophobicContact CE1-CG 3.84Å; Y180-L184 WeakPolarHBondContact O-CG 3.33Å; Y180-L184 PolarHBondContact O-N 3.2Å; R181-L184 PolarHBondContact O-N 2.81Å; L184-G187 PolarHBondContact O-N 2.7Å; L184-I190 HydrophobicContact CD2-CG2 3.76Å; L184-I190 HydrophobicContact CG-CG2 3.99Å
185	Y	98.9	Very high	98.9	Very high	67 Å²	67	42.6 Å²	42.6	26%	0.263	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-45.3	177.9	-179.4	-83.3	0	0	0	111.6	R86 P88 K91 D92 R181 A182 C183 G187	R86-Y185 HydrophobicContact CB-CD1 4.16Å; R86-Y185 HydrophobicContact CB-CE1 3.81Å; R86-Y185 WeakPolarHBondContact CD-O 3.35Å; R86-Y185 VanDerWaalsContact CZ-CZ 3.47Å; R86-Y185 PolarHBondContact NH1-O 2.78Å; R86-Y185 PolarHBondContact NH2-OH 2.8Å; P88-Y185 HydrophobicContact CB-CD1 3.97Å; K91-Y185 WeakPolarHBondContact CA-OH 3.42Å; D92-Y185 PolarHBondContact N-OH 2.73Å; D92-Y185 PolarHBondContact OD1-OH 2.89Å; D92-Y185 PolarHBondContact OD2-OH 3.46Å; R181-Y185 WeakPolarHBondContact O-CB 3.19Å; R181-Y185 PolarHBondContact O-N 2.99Å; A182-Y185 PolarHBondContact O-N 2.92Å; C183-Y185 VanDerWaalsContact C-N 3.34Å; C183-Y185 PolarHBondContact O-N 2.72Å; Y185-G187 PolarHBondContact O-N 2.76Å
186	A	98.9	Very high	98.8	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-63.5	-22.6	-179.1	0	0	0	0	0	113.2	F85 R86 P88 A182 C183 V188 I224	F85-A186 HydrophobicContact CB-CB 4.43Å; R86-A186 PolarHBondContact N-O 2.91Å; R86-A186 WeakPolarHBondContact O-CA 3.36Å; R86-A186 WeakPolarHBondContact O-CB 3.45Å; P88-A186 HydrophobicContact CG-CB 4.48Å; A182-A186 VanDerWaalsContact O-CB 3.24Å; A182-A186 WeakPolarHBondContact O-CB 3.49Å; A182-A186 PolarHBondContact O-N 3.4Å; C183-A186 PolarHBondContact O-N 2.75Å; A186-V188 HydrophobicContact CB-CG2 4.17Å; A186-I224 HydrophobicContact CB-CD1 3.83Å
187	G	98.8	Very high	98.8	Very high	46 Å²	46	44.3 Å²	44.3	47%	0.474	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	18	-171.5	0	0	0	0	0	113.1	C183 L184 Y185 H217	C183-G187 PolarHBondContact O-N 2.95Å; C183-G187 VanDerWaalsContact O-N 3.12Å; L184-G187 PolarHBondContact O-N 2.7Å; Y185-G187 PolarHBondContact O-N 2.76Å; G187-H217 PolarHBondContact O-CE1 2.77Å
188	V	98.9	Very high	98.8	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.036	22%	0.215	C	C	.	.			trans	-71.9	134.5	172	174.3	0	0	0	0	109.2	F85 C183 A186 I190 I206 V220 A221 I224	F85-V188 HydrophobicContact CD1-CG2 4.08Å; F85-V188 HydrophobicContact CE1-CG2 4.13Å; C183-V188 HydrophobicContact CB-CB 3.95Å; C183-V188 HydrophobicContact CB-CG1 4.24Å; C183-V188 PolarHBondContact O-N 3.02Å; A186-V188 HydrophobicContact CB-CG2 4.17Å; V188-I190 PolarHBondContact O-N 2.85Å; V188-I206 HydrophobicContact CG1-CD1 3.78Å; V188-V220 HydrophobicContact CG2-CG1 3.98Å; V188-A221 HydrophobicContact CG1-CB 4.02Å; V188-I224 HydrophobicContact CG2-CD1 4.08Å
189	K	98.8	Very high	98.7	Very high	109 Å²	109	37.8 Å²	37.8	47%	0.474	20%	0.202	S	C	.	.			trans	-74.1	58.7	178.5	-69.6	-175.8	118.1	93.8	0	112.3	I206 G207 P208 H217	K189-I206 CarbonylContact O-C 3.55Å; K189-I206 WeakPolarHBondContact O-CA 3.34Å; K189-G207 PolarHBondContact O-N 2.86Å; K189-P208 WeakPolarHBondContact CD-O 3.28Å; K189-P208 WeakPolarHBondContact CE-O 3.45Å; K189-H217 PolarHBondContact N-ND1 2.78Å
190	I	98.9	Very high	98.7	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.082	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	127.4	171.4	-167.8	170.9	0	0	0	109.5	Y180 C183 L184 V188 F204 Q205 I206	Y180-I190 HydrophobicContact CD1-CD1 4.23Å; Y180-I190 HydrophobicContact CD1-CG2 4.12Å; Y180-I190 HydrophobicContact CD2-CD1 4.07Å; Y180-I190 HydrophobicContact CE1-CD1 4.49Å; Y180-I190 HydrophobicContact CE1-CG2 3.87Å; Y180-I190 HydrophobicContact CE2-CD1 4.38Å; Y180-I190 HydrophobicContact CG-CD1 3.99Å; C183-I190 HydrophobicContact CB-CB 4.03Å; C183-I190 HydrophobicContact CB-CD1 4.15Å; C183-I190 HydrophobicContact CB-CG2 3.82Å; L184-I190 HydrophobicContact CD2-CG2 3.76Å; L184-I190 HydrophobicContact CG-CG2 3.99Å; V188-I190 PolarHBondContact O-N 2.85Å; I190-F204 HydrophobicContact CD1-CB 4.22Å; I190-Q205 CarbonylContact C-O 3.55Å; I190-Q205 WeakPolarHBondContact CA-O 3.44Å; I190-I206 HydrophobicContact CB-CD1 4.1Å; I190-I206 HydrophobicContact CG1-CD1 4.3Å
191	A	98.7	Very high	98.7	Very high	62 Å²	62	35 Å²	35	51%	0.512	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-27.5	-176.5	0	0	0	0	0	112.6	Q205 G207	A191-Q205 HydrophobicContact CB-CB 4.09Å; A191-Q205 PolarHBondContact N-O 2.93Å; A191-G207 WeakPolarHBondContact CB-O 3.31Å
192	G	98.8	Very high	98.7	Very high	11 Å²	11	26.6 Å²	26.6	11%	0.113	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-178.3	-173.3	0	0	0	0	0	113.1	F204 Q205	G192-F204 WeakPolarHBondContact O-CA 3.29Å; G192-Q205 PolarHBondContact O-N 3.46Å; G192-Q205 PolarHBondContact O-OE1 2.85Å
193	T	98.9	Very high	98.7	Very high	49 Å²	49	26.5 Å²	26.5	30%	0.301	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	157	174.5	-175.8	0	0	0	0	110.6	V176 Y180 E203 Q205	V176-T193 HydrophobicContact CG1-CG2 3.89Å; V176-T193 VanDerWaalsContact CG1-OG1 3.26Å; V176-T193 WeakPolarHBondContact CG1-OG1 3.33Å; Y180-T193 HydrophobicContact CD2-CG2 3.61Å; Y180-T193 HydrophobicContact CE2-CG2 3.79Å; T193-E203 WeakPolarHBondContact CA-O 3.25Å; T193-E203 VanDerWaalsContact CB-O 3.28Å; T193-E203 WeakPolarHBondContact CB-O 3.39Å; T193-E203 PolarHBondContact OG1-O 3.37Å; T193-Q205 VanDerWaalsContact N-OE1 3.16Å
194	N	98.8	Very high	98.7	Very high	28 Å²	28	26.6 Å²	26.6	15%	0.15	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	157	168.7	52.1	-80.4	0	0	0	110.9	E196 E203 Q205	N194-E196 PolarHBondContact ND2-OE1 3.12Å; N194-E203 PolarHBondContact N-O 3.09Å; N194-E203 PolarHBondContact O-N 2.89Å; N194-Q205 PolarHBondContact OD1-NE2 3.37Å
195	A	98.8	Very high	98.7	Very high	7 Å²	7	24.2 Å²	24.2	6%	0.058	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.7	162.3	0	0	0	0	0	108.3	Y162 C163 W202	Y162-A195 WeakPolarHBondContact CD2-O 3.32Å; C163-A195 PolarHBondContact N-O 2.94Å; A195-W202 VanDerWaalsContact CA-CE3 3.43Å; A195-W202 HydrophobicContact CB-CD2 4.42Å; A195-W202 HydrophobicContact CB-CE3 3.77Å; A195-W202 HydrophobicContact CB-CH2 4.07Å; A195-W202 HydrophobicContact CB-CZ3 3.58Å
196	E	98.6	Very high	98.7	Very high	14 Å²	14	21 Å²	21	7%	0.065	13%	0.132	C	C	.	.			trans	-86.3	176.9	-178.1	-100.7	-52.3	125.8	0	0	112.6	E136 N194 M198 Q201 E203	E136-E196 HydrophobicContact CG-CG 4.13Å; N194-E196 PolarHBondContact ND2-OE1 3.12Å; E196-M198 PolarHBondContact O-N 3.17Å; E196-Q201 HydrophobicContact CB-CB 3.77Å; E196-Q201 HydrophobicContact CB-CG 3.6Å; E196-Q201 HydrophobicContact CG-CG 4.25Å; E196-Q201 PolarHBondContact N-O 2.92Å; E196-E203 HydrophobicContact CG-CB 4.08Å
197	V	98.1	Very high	98.7	Very high	29 Å²	29	21.3 Å²	21.3	18%	0.176	14%	0.135	C	C	.	.	S	Bend	trans	-63.8	-39.7	-173.9	179.3	0	0	0	0	113	Q158 Y162 N248	Q158-V197 HydrophobicContact CB-CG1 4.04Å; Q158-V197 HydrophobicContact CG-CG1 4.41Å; Y162-V197 HydrophobicContact CD2-CG2 3.96Å; Y162-V197 HydrophobicContact CG-CG2 4.36Å; V197-N248 HydrophobicContact CB-CB 4.27Å; V197-N248 WeakPolarHBondContact CB-ND2 3.46Å
198	M	98.2	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-79.9	135	175.9	-172.8	-179.5	72.8	0	0	109.8	T138 W149 E196 A200 Q201 P242 I243 W247 N248	T138-M198 HydrophobicContact CG2-CE 3.29Å; T138-M198 WeakPolarHBondContact OG1-CE 3.49Å; W149-M198 HydrophobicContact CH2-SD 4.43Å; W149-M198 HydrophobicContact CZ2-CG 3.88Å; W149-M198 HydrophobicContact CZ2-SD 4.06Å; E196-M198 PolarHBondContact O-N 3.17Å; M198-A200 PolarHBondContact O-N 3.08Å; M198-Q201 HydrophobicContact CB-CB 3.87Å; M198-Q201 HydrophobicContact CE-CB 4.07Å; M198-Q201 WeakPolarHBondContact O-CA 3.45Å; M198-Q201 WeakPolarHBondContact O-CB 3.21Å; M198-Q201 PolarHBondContact O-N 3.09Å; M198-P242 HydrophobicContact CE-CG 4.07Å; M198-I243 HydrophobicContact SD-CB 4.3Å; M198-I243 HydrophobicContact SD-CG1 4.09Å; M198-W247 HydrophobicContact CG-CB 4.37Å; M198-W247 HydrophobicContact CG-CE3 3.91Å; M198-W247 HydrophobicContact SD-CB 3.85Å; M198-W247 HydrophobicContact SD-CG 4.44Å; M198-N248 HydrophobicContact CB-CB 4.45Å
199	P	98.2	Very high	98.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.013	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	136.4	175.2	19.3	-25.7	0	0	0	111.1	W149 P155 Y161 Y171 Q201 W247	W149-P199 HydrophobicContact CZ2-CG 3.89Å; W149-P199 PolarHBondContact NE1-O 3.37Å; P155-P199 HydrophobicContact CB-CG 4.24Å; P155-P199 HydrophobicContact CG-CB 4.31Å; P155-P199 HydrophobicContact CG-CG 3.4Å; Y161-P199 HydrophobicContact CD1-CB 3.73Å; Y161-P199 HydrophobicContact CD1-CG 4.28Å; Y161-P199 HydrophobicContact CD2-CB 4.16Å; Y161-P199 VanDerWaalsContact CD2-CD 3.49Å; Y161-P199 HydrophobicContact CD2-CG 3.92Å; Y161-P199 HydrophobicContact CE1-CB 3.88Å; Y161-P199 HydrophobicContact CE1-CG 4.15Å; Y161-P199 HydrophobicContact CE2-CB 4.28Å; Y161-P199 HydrophobicContact CE2-CG 3.75Å; Y161-P199 HydrophobicContact CG-CB 3.87Å; Y161-P199 HydrophobicContact CG-CG 4.16Å; Y171-P199 HydrophobicContact CD2-CB 3.89Å; Y171-P199 HydrophobicContact CE2-CB 3.61Å; P199-Q201 PolarHBondContact O-N 3.21Å; P199-W247 HydrophobicContact CG-CZ3 4.04Å
200	A	98.3	Very high	98.7	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	2.6	-170.5	0	0	0	0	0	115.7	L139 F147 Y171 M198	L139-A200 HydrophobicContact CB-CB 4.47Å; L139-A200 PolarHBondContact N-O 2.93Å; F147-A200 WeakPolarHBondContact O-CB 3.3Å; Y171-A200 HydrophobicContact CD2-CB 4.37Å; M198-A200 PolarHBondContact O-N 3.08Å
201	Q	98.8	Very high	98.7	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.009	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	143.8	166.7	-164.9	-179.1	-6.7	0	0	110.1	E136 Y137 E196 M198 P199 G249	E136-Q201 PolarHBondContact OE2-NE2 2.74Å; E136-Q201 VanDerWaalsContact OE2-NE2 3.08Å; Y137-Q201 VanDerWaalsContact O-CA 3.31Å; Y137-Q201 WeakPolarHBondContact O-CA 3.16Å; Y137-Q201 VanDerWaalsContact O-CG 3.22Å; Y137-Q201 WeakPolarHBondContact O-CG 3.29Å; E196-Q201 HydrophobicContact CB-CB 3.77Å; E196-Q201 HydrophobicContact CB-CG 3.6Å; E196-Q201 HydrophobicContact CG-CG 4.25Å; E196-Q201 PolarHBondContact N-O 2.92Å; M198-Q201 HydrophobicContact CB-CB 3.87Å; M198-Q201 HydrophobicContact CE-CB 4.07Å; M198-Q201 WeakPolarHBondContact O-CA 3.45Å; M198-Q201 WeakPolarHBondContact O-CB 3.21Å; M198-Q201 PolarHBondContact O-N 3.09Å; P199-Q201 PolarHBondContact O-N 3.21Å; Q201-G249 PolarHBondContact NE2-O 3.19Å
202	W	98.9	Very high	98.7	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.011	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	161.9	-177.8	-62.8	90.6	0	0	0	110	E136 Y137 A170 Y171 R173 V176 A195	E136-W202 CarbonylContact C-O 3.24Å; E136-W202 WeakPolarHBondContact CA-O 3.36Å; Y137-W202 HydrophobicContact CD1-CB 4.37Å; Y137-W202 VanDerWaalsContact CD1-O 3.3Å; Y137-W202 WeakPolarHBondContact CD1-O 3.22Å; Y137-W202 HydrophobicContact CE1-CB 3.64Å; Y137-W202 HydrophobicContact CE2-CB 4.02Å; Y137-W202 VanDerWaalsContact CZ-CB 3.48Å; Y137-W202 PolarHBondContact N-O 2.87Å; Y137-W202 PolarHBondContact O-N 3.46Å; A170-W202 HydrophobicContact CB-CH2 4Å; A170-W202 HydrophobicContact CB-CZ2 4.31Å; Y171-W202 WeakPolarHBondContact O-CZ2 3.39Å; Y171-W202 PolarHBondContact O-NE1 3.13Å; R173-W202 HydrophobicContact CB-CH2 3.82Å; R173-W202 HydrophobicContact CB-CZ2 4.19Å; R173-W202 HydrophobicContact CG-CH2 4.09Å; V176-W202 HydrophobicContact CB-CE3 4.28Å; V176-W202 HydrophobicContact CB-CZ3 4.45Å; V176-W202 HydrophobicContact CG1-CE3 4.21Å; V176-W202 HydrophobicContact CG1-CZ3 4.48Å; V176-W202 HydrophobicContact CG2-CB 4.21Å; V176-W202 HydrophobicContact CG2-CD2 3.36Å; V176-W202 HydrophobicContact CG2-CE3 3.47Å; V176-W202 VanDerWaalsContact CG2-CE3 3.47Å; V176-W202 HydrophobicContact CG2-CG 3.69Å; V176-W202 HydrophobicContact CG2-CH2 4.32Å; V176-W202 HydrophobicContact CG2-CZ2 4.24Å; V176-W202 HydrophobicContact CG2-CZ3 3.95Å; A195-W202 VanDerWaalsContact CA-CE3 3.43Å; A195-W202 HydrophobicContact CB-CD2 4.42Å; A195-W202 HydrophobicContact CB-CE3 3.77Å; A195-W202 HydrophobicContact CB-CH2 4.07Å; A195-W202 HydrophobicContact CB-CZ3 3.58Å
203	E	98.9	Very high	98.7	Very high	11 Å²	11	20.3 Å²	20.3	5%	0.051	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	144.8	174.1	-168.6	-177.5	119	0	0	110.5	E134 Q135 E136 T193 N194 E196 Q205	E134-E203 HydrophobicContact CB-CG 4.37Å; E134-E203 WeakPolarHBondContact CB-OE1 3.47Å; E134-E203 WeakPolarHBondContact CG-OE1 3.36Å; Q135-E203 VanDerWaalsContact O-CA 3.3Å; Q135-E203 WeakPolarHBondContact O-CA 3.43Å; E136-E203 HydrophobicContact CG-CB 4.23Å; E136-E203 HydrophobicContact CG-CG 3.97Å; T193-E203 WeakPolarHBondContact CA-O 3.25Å; T193-E203 VanDerWaalsContact CB-O 3.28Å; T193-E203 WeakPolarHBondContact CB-O 3.39Å; T193-E203 PolarHBondContact OG1-O 3.37Å; N194-E203 PolarHBondContact N-O 3.09Å; N194-E203 PolarHBondContact O-N 2.89Å; E196-E203 HydrophobicContact CG-CB 4.08Å; E203-Q205 WeakPolarHBondContact OE1-CG 3.37Å; E203-Q205 PolarHBondContact OE1-NE2 2.89Å
204	F	98.9	Very high	98.7	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	142.2	159.6	64.6	-94.2	0	0	0	110.2	Q135 Y137 H179 I190 G192 I206 L218 A221 L225	Q135-F204 HydrophobicContact CB-CD1 4.23Å; Q135-F204 HydrophobicContact CB-CD2 4.08Å; Q135-F204 HydrophobicContact CB-CE1 3.85Å; Q135-F204 HydrophobicContact CB-CE2 3.69Å; Q135-F204 HydrophobicContact CB-CG 4.35Å; Q135-F204 HydrophobicContact CB-CZ 3.58Å; Q135-F204 HydrophobicContact CG-CD1 4.25Å; Q135-F204 HydrophobicContact CG-CE1 3.48Å; Q135-F204 VanDerWaalsContact CG-CE1 3.48Å; Q135-F204 HydrophobicContact CG-CE2 4.04Å; Q135-F204 HydrophobicContact CG-CZ 3.38Å; Q135-F204 PolarHBondContact N-O 3.22Å; Q135-F204 PolarHBondContact O-N 3.21Å; Y137-F204 HydrophobicContact CD1-CD1 4.02Å; Y137-F204 HydrophobicContact CD1-CE1 4.11Å; Y137-F204 AromaticContact CE1-CD1 3.67Å; Y137-F204 HydrophobicContact CE1-CD1 3.67Å; Y137-F204 HydrophobicContact CE1-CE1 4.13Å; H179-F204 AromaticContact CE1-CD1 3.64Å; H179-F204 AromaticContact CE1-CE1 3.89Å; H179-F204 AromaticContact CE1-CG 3.71Å; I190-F204 HydrophobicContact CD1-CB 4.22Å; G192-F204 WeakPolarHBondContact O-CA 3.29Å; F204-I206 HydrophobicContact CD2-CD1 3.73Å; F204-I206 HydrophobicContact CD2-CG1 3.77Å; F204-I206 HydrophobicContact CE2-CD1 3.87Å; F204-I206 HydrophobicContact CE2-CG1 3.66Å; F204-L218 HydrophobicContact CE2-CD1 3.73Å; F204-L218 HydrophobicContact CZ-CD1 4.09Å; F204-A221 HydrophobicContact CD2-CB 4.5Å; F204-A221 HydrophobicContact CE2-CB 3.62Å; F204-A221 HydrophobicContact CZ-CB 4.06Å; F204-L225 HydrophobicContact CE1-CD2 3.98Å
205	Q	98.9	Very high	98.7	Very high	38 Å²	38	16.6 Å²	16.6	18%	0.178	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	132.5	179.1	-56.6	86.4	42.4	0	0	110.1	M133 E134 I190 A191 G192 T193 N194 E203	M133-Q205 CarbonylContact O-C 3.58Å; M133-Q205 WeakPolarHBondContact O-CA 3.3Å; E134-Q205 HydrophobicContact CB-CG 4.47Å; E134-Q205 HydrophobicContact CG-CG 3.83Å; I190-Q205 CarbonylContact C-O 3.55Å; I190-Q205 WeakPolarHBondContact CA-O 3.44Å; A191-Q205 HydrophobicContact CB-CB 4.09Å; A191-Q205 PolarHBondContact N-O 2.93Å; G192-Q205 PolarHBondContact O-N 3.46Å; G192-Q205 PolarHBondContact O-OE1 2.85Å; T193-Q205 VanDerWaalsContact N-OE1 3.16Å; N194-Q205 PolarHBondContact OD1-NE2 3.37Å; E203-Q205 WeakPolarHBondContact OE1-CG 3.37Å; E203-Q205 PolarHBondContact OE1-NE2 2.89Å
206	I	98.9	Very high	98.7	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.9	173.4	-59.4	-57.3	0	0	0	109	G132 M133 V188 K189 I190 F204 M214 H217 L218 A221	G132-I206 CarbonylContact C-O 3.58Å; G132-I206 WeakPolarHBondContact CA-O 3.37Å; M133-I206 PolarHBondContact N-O 3.44Å; M133-I206 PolarHBondContact O-N 3.18Å; V188-I206 HydrophobicContact CG1-CD1 3.78Å; K189-I206 CarbonylContact O-C 3.55Å; K189-I206 WeakPolarHBondContact O-CA 3.34Å; I190-I206 HydrophobicContact CB-CD1 4.1Å; I190-I206 HydrophobicContact CG1-CD1 4.3Å; F204-I206 HydrophobicContact CD2-CD1 3.73Å; F204-I206 HydrophobicContact CD2-CG1 3.77Å; F204-I206 HydrophobicContact CE2-CD1 3.87Å; F204-I206 HydrophobicContact CE2-CG1 3.66Å; I206-M214 HydrophobicContact CB-CE 3.69Å; I206-M214 HydrophobicContact CG2-CE 3.43Å; I206-M214 VanDerWaalsContact CG2-CE 3.43Å; I206-H217 HydrophobicContact CG2-CB 3.65Å; I206-L218 HydrophobicContact CG1-CD1 3.92Å; I206-A221 HydrophobicContact CD1-CB 3.74Å; I206-A221 HydrophobicContact CG1-CB 4.09Å
207	G	98.4	Very high	98.7	Very high	10 Å²	10	17.3 Å²	17.3	10%	0.103	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.2	-172.6	172.5	0	0	0	0	0	114.3	K189 A191	K189-G207 PolarHBondContact O-N 2.86Å; A191-G207 WeakPolarHBondContact CB-O 3.31Å
208	P	98.8	Very high	98.8	Very high	83 Å²	83	15.9 Å²	15.9	54%	0.539	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-66.2	135.2	-4.6	-19.8	32.9	0	0	0	112.5	W130 F131 K189	W130-P208 HydrophobicContact CE3-CB 4.26Å; F131-P208 CarbonylContact O-C 3.56Å; F131-P208 VanDerWaalsContact O-CA 3.3Å; F131-P208 WeakPolarHBondContact O-CA 3.46Å; K189-P208 WeakPolarHBondContact CD-O 3.28Å; K189-P208 WeakPolarHBondContact CE-O 3.45Å
209	C	98.9	Very high	98.8	Very high	1 Å²	1	16 Å²	16	1%	0.007	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.4	175.8	-69.3	0	0	0	0	109.9	W130 F131 M214 H217	W130-C209 CarbonylContact C-O 3.52Å; W130-C209 WeakPolarHBondContact CA-O 3.42Å; F131-C209 PolarHBondContact N-O 3.03Å; F131-C209 PolarHBondContact O-N 3.18Å; C209-M214 VanDerWaalsContact CB-CA 3.49Å; C209-M214 HydrophobicContact CB-CB 3.84Å; C209-M214 HydrophobicContact CB-CG 4.48Å; C209-M214 HydrophobicContact CB-SD 3.85Å; C209-H217 VanDerWaalsContact SG-CD2 3.55Å
210	E	98.8	Very high	98.8	Very high	85 Å²	85	15.9 Å²	15.9	40%	0.397	9%	0.091	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.3	177.9	-173.2	161.3	147.1	0	0	111	H128 P129 W130 I212 S213	H128-E210 IonicContact CE1-OE1 2.75Å; H128-E210 IonicContact CG-OE1 2.62Å; H128-E210 IonicContact ND1-OE1 3.79Å; H128-E210 PolarHBondContact ND1-OE1 2.72Å; H128-E210 IonicContact ND1-OE2 2.69Å; P129-E210 WeakPolarHBondContact O-CA 3.12Å; W130-E210 PolarHBondContact NE1-OE2 2.9Å; E210-I212 PolarHBondContact O-N 2.97Å; E210-S213 PolarHBondContact N-OG 3.15Å; E210-S213 VanDerWaalsContact N-OG 3.14Å; E210-S213 WeakPolarHBondContact O-CB 3.35Å; E210-S213 PolarHBondContact O-N 2.93Å; E210-S213 PolarHBondContact O-OG 3.32Å
211	G	98.8	Very high	98.9	Very high	7 Å²	7	15.8 Å²	15.8	7%	0.072	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-128	175.7	0	0	0	0	0	114.3	M121 P129 S213 M214	M121-G211 VanDerWaalsContact SD-CA 3.54Å; P129-G211 PolarHBondContact O-N 3.45Å; G211-S213 PolarHBondContact O-N 3.46Å; G211-S213 VanDerWaalsContact O-N 3.09Å; G211-M214 PolarHBondContact O-N 3.45Å
212	I	98.8	Very high	98.9	Very high	21 Å²	21	15.8 Å²	15.8	11%	0.108	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.2	-174.4	-161.4	60.5	0	0	0	113.7	R114 C117 K118 M121 E210 M214 G215 D216 F349	R114-I212 HydrophobicContact CG-CD1 3.97Å; R114-I212 HydrophobicContact CG-CG1 4.25Å; C117-I212 HydrophobicContact CB-CD1 3.97Å; K118-I212 HydrophobicContact CB-CD1 4Å; K118-I212 HydrophobicContact CB-CG1 4.15Å; K118-I212 HydrophobicContact CD-CB 4.11Å; K118-I212 HydrophobicContact CD-CG1 4.07Å; K118-I212 HydrophobicContact CD-CG2 4.03Å; M121-I212 HydrophobicContact CG-CB 4.46Å; E210-I212 PolarHBondContact O-N 2.97Å; I212-M214 PolarHBondContact O-N 3.1Å; I212-M214 VanDerWaalsContact O-N 3.14Å; I212-G215 PolarHBondContact O-N 3.33Å; I212-D216 PolarHBondContact O-N 3.3Å; I212-F349 HydrophobicContact CD1-CD1 3.75Å; I212-F349 HydrophobicContact CD1-CE1 3.82Å; I212-F349 HydrophobicContact CG1-CE1 4.3Å
213	S	98.8	Very high	98.9	Very high	31 Å²	31	16.1 Å²	16.1	22%	0.217	9%	0.091	C	C	.	.	H	α-helix	trans	-63.4	-22.1	-177.3	67.8	0	0	0	0	112.9	E210 G211 D216 H217	E210-S213 PolarHBondContact N-OG 3.15Å; E210-S213 VanDerWaalsContact N-OG 3.14Å; E210-S213 WeakPolarHBondContact O-CB 3.35Å; E210-S213 PolarHBondContact O-N 2.93Å; E210-S213 PolarHBondContact O-OG 3.32Å; G211-S213 PolarHBondContact O-N 3.46Å; G211-S213 VanDerWaalsContact O-N 3.09Å; S213-D216 PolarHBondContact O-N 3.04Å; S213-H217 WeakPolarHBondContact O-CB 3.42Å; S213-H217 PolarHBondContact O-CD2 3.41Å; S213-H217 PolarHBondContact O-N 3.1Å
214	M	98.9	Very high	98.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.6	-49.5	175.5	-175.6	66.6	-112.8	0	0	111.6	F131 M133 I206 C209 G211 I212 L218 T352	F131-M214 HydrophobicContact CB-CB 3.88Å; F131-M214 HydrophobicContact CB-CG 3.49Å; F131-M214 VanDerWaalsContact CB-CG 3.49Å; F131-M214 HydrophobicContact CB-SD 3.62Å; F131-M214 HydrophobicContact CD2-CB 4.19Å; F131-M214 HydrophobicContact CG-CB 4.33Å; F131-M214 HydrophobicContact CG-CG 4.23Å; M133-M214 HydrophobicContact CB-CE 3.69Å; M133-M214 HydrophobicContact CB-SD 4.41Å; M133-M214 HydrophobicContact CE-CG 4.22Å; M133-M214 HydrophobicContact CG-CE 3.78Å; M133-M214 HydrophobicContact CG-CG 4.26Å; M133-M214 HydrophobicContact CG-SD 4.02Å; M133-M214 HydrophobicContact SD-CE 3.94Å; M133-M214 HydrophobicContact SD-CG 3.97Å; M133-M214 HydrophobicContact SD-SD 4.4Å; I206-M214 HydrophobicContact CB-CE 3.69Å; I206-M214 HydrophobicContact CG2-CE 3.43Å; I206-M214 VanDerWaalsContact CG2-CE 3.43Å; C209-M214 VanDerWaalsContact CB-CA 3.49Å; C209-M214 HydrophobicContact CB-CB 3.84Å; C209-M214 HydrophobicContact CB-CG 4.48Å; C209-M214 HydrophobicContact CB-SD 3.85Å; G211-M214 PolarHBondContact O-N 3.45Å; I212-M214 PolarHBondContact O-N 3.1Å; I212-M214 VanDerWaalsContact O-N 3.14Å; M214-L218 HydrophobicContact CE-CB 4.02Å; M214-L218 PolarHBondContact O-N 3.35Å; M214-T352 HydrophobicContact CB-CG2 4.19Å; M214-T352 HydrophobicContact CG-CG2 3.95Å
215	G	98.9	Very high	98.9	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-66.7	-40.7	177.5	0	0	0	0	0	112	I212 H217 L218 W219 F349	I212-G215 PolarHBondContact O-N 3.33Å; G215-H217 PolarHBondContact O-N 2.77Å; G215-L218 PolarHBondContact O-N 3.37Å; G215-W219 WeakPolarHBondContact O-CB 3.32Å; G215-W219 VanDerWaalsContact O-CD1 3.26Å; G215-W219 PolarHBondContact O-N 3.35Å; G215-F349 VanDerWaalsContact CA-CE1 3.45Å
216	D	98.9	Very high	98.9	Very high	12 Å²	12	16.7 Å²	16.7	6%	0.064	9%	0.094	C	C	.	.	H	α-helix	trans	-59.6	-47.6	177.8	-64.8	-18.4	0	0	0	111.6	A83 L98 R114 I212 S213 V220 F349	A83-D216 HydrophobicContact CB-CB 4.11Å; L98-D216 HydrophobicContact CD2-CB 3.98Å; R114-D216 IonicContact CZ-OD1 3.64Å; R114-D216 IonicContact CZ-OD2 3.43Å; R114-D216 IonicContact NE-OD1 2.71Å; R114-D216 PolarHBondContact NE-OD1 3.09Å; R114-D216 IonicContact NE-OD2 2.68Å; R114-D216 IonicContact NH2-OD1 3.37Å; R114-D216 PolarHBondContact NH2-OD1 2.77Å; R114-D216 IonicContact NH2-OD2 3.54Å; R114-D216 PolarHBondContact NH2-OD2 2.68Å; I212-D216 PolarHBondContact O-N 3.3Å; S213-D216 PolarHBondContact O-N 3.04Å; D216-V220 WeakPolarHBondContact O-CG2 3.27Å; D216-V220 PolarHBondContact O-N 3.16Å; D216-F349 WeakPolarHBondContact OD1-CZ 3.2Å
217	H	98.9	Very high	98.9	Very high	23 Å²	23	18.4 Å²	18.4	11%	0.106	10%	0.1	C	C	.	.	H	α-helix	trans	-67.4	-44	179.2	-81.7	-75.4	0	0	0	112.6	F85 G187 K189 I206 C209 S213 G215 A221	F85-H217 AromaticContact CE1-CE1 3.67Å; F85-H217 AromaticContact CE1-ND1 3.67Å; G187-H217 PolarHBondContact O-CE1 2.77Å; K189-H217 PolarHBondContact N-ND1 2.78Å; I206-H217 HydrophobicContact CG2-CB 3.65Å; C209-H217 VanDerWaalsContact SG-CD2 3.55Å; S213-H217 WeakPolarHBondContact O-CB 3.42Å; S213-H217 PolarHBondContact O-CD2 3.41Å; S213-H217 PolarHBondContact O-N 3.1Å; G215-H217 PolarHBondContact O-N 2.77Å; H217-A221 VanDerWaalsContact O-CB 3.29Å; H217-A221 WeakPolarHBondContact O-CB 3.02Å; H217-A221 PolarHBondContact O-N 2.93Å
218	L	98.9	Very high	98.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-69.1	-42.6	-177.7	-178.2	59.8	0	0	0	111.8	M133 Q135 F204 I206 M214 G215 V220 A221 R222 P348	M133-L218 HydrophobicContact CB-CD2 4.19Å; M133-L218 HydrophobicContact SD-CD2 3.62Å; Q135-L218 HydrophobicContact CB-CD1 3.91Å; Q135-L218 HydrophobicContact CG-CD1 4.29Å; F204-L218 HydrophobicContact CE2-CD1 3.73Å; F204-L218 HydrophobicContact CZ-CD1 4.09Å; I206-L218 HydrophobicContact CG1-CD1 3.92Å; M214-L218 HydrophobicContact CE-CB 4.02Å; M214-L218 PolarHBondContact O-N 3.35Å; G215-L218 PolarHBondContact O-N 3.37Å; L218-V220 VanDerWaalsContact C-N 3.33Å; L218-V220 PolarHBondContact O-N 3.45Å; L218-A221 WeakPolarHBondContact O-CB 3.48Å; L218-A221 PolarHBondContact O-N 2.62Å; L218-R222 HydrophobicContact CD1-CG 4.38Å; L218-R222 HydrophobicContact CG-CG 4.5Å; L218-R222 WeakPolarHBondContact O-CG 3.49Å; L218-R222 PolarHBondContact O-N 2.94Å; L218-P348 HydrophobicContact CB-CB 4.39Å; L218-P348 HydrophobicContact CB-CG 4.18Å; L218-P348 HydrophobicContact CD2-CB 3.92Å; L218-P348 HydrophobicContact CD2-CG 4.05Å; L218-P348 HydrophobicContact CG-CG 4.39Å
219	W	98.9	Very high	98.9	Very high	2 Å²	2	14.5 Å²	14.5	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-61.2	-41.5	176.8	-83.2	119.2	0	0	0	112.4	I33 G37 L40 L98 G215 R222 F223 D347 P348 F349	I33-W219 HydrophobicContact CD1-CD2 3.95Å; I33-W219 VanDerWaalsContact CD1-CE2 3.45Å; I33-W219 HydrophobicContact CD1-CG 4.28Å; I33-W219 HydrophobicContact CD1-CH2 4.43Å; I33-W219 HydrophobicContact CD1-CZ2 3.73Å; I33-W219 HydrophobicContact CG1-CD2 4.12Å; I33-W219 HydrophobicContact CG1-CE3 4.36Å; I33-W219 HydrophobicContact CG1-CH2 4.39Å; I33-W219 HydrophobicContact CG1-CZ2 4.16Å; I33-W219 HydrophobicContact CG1-CZ3 4.48Å; I33-W219 HydrophobicContact CG2-CH2 4.41Å; G37-W219 WeakPolarHBondContact O-CH2 3.45Å; L40-W219 HydrophobicContact CD1-CE3 4.09Å; L40-W219 HydrophobicContact CD1-CZ3 4.42Å; L40-W219 HydrophobicContact CD2-CE3 3.84Å; L40-W219 HydrophobicContact CD2-CZ3 4.26Å; L40-W219 HydrophobicContact CG-CE3 4.08Å; L40-W219 HydrophobicContact CG-CZ3 4.17Å; L98-W219 HydrophobicContact CD1-CB 4.4Å; G215-W219 WeakPolarHBondContact O-CB 3.32Å; G215-W219 VanDerWaalsContact O-CD1 3.26Å; G215-W219 PolarHBondContact O-N 3.35Å; W219-R222 PolarHBondContact O-N 2.92Å; W219-F223 PolarHBondContact O-N 3.13Å; W219-D347 HydrophobicContact CZ2-CB 4.06Å; W219-D347 PolarHBondContact NE1-OD1 2.91Å; W219-P348 HydrophobicContact CG-CG 4.28Å; W219-F349 AromaticContact CD1-CD2 3.75Å; W219-F349 AromaticContact CD1-CE2 3.25Å; W219-F349 AromaticContact CD1-CZ 3.85Å; W219-F349 HydrophobicContact CG-CE2 4.4Å; W219-F349 AromaticContact NE1-CD2 3.5Å; W219-F349 AromaticContact NE1-CE2 3.48Å
220	V	98.9	Very high	98.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70.1	-35.2	175.2	174.5	0	0	0	0	111.6	F85 L96 L98 V188 D216 L218 R222 F223 I224	F85-V220 HydrophobicContact CD2-CB 4.28Å; F85-V220 HydrophobicContact CD2-CG1 3.91Å; F85-V220 HydrophobicContact CD2-CG2 3.85Å; F85-V220 HydrophobicContact CE2-CB 4.09Å; F85-V220 HydrophobicContact CE2-CG1 4.21Å; F85-V220 HydrophobicContact CE2-CG2 3.6Å; F85-V220 HydrophobicContact CG-CG1 4.13Å; F85-V220 HydrophobicContact CZ-CB 4.5Å; F85-V220 HydrophobicContact CZ-CG2 4.39Å; L96-V220 HydrophobicContact CD1-CG1 4.33Å; L98-V220 HydrophobicContact CB-CG2 3.98Å; L98-V220 HydrophobicContact CD1-CG2 4.45Å; L98-V220 HydrophobicContact CD2-CG2 4.29Å; L98-V220 HydrophobicContact CG-CG2 4.48Å; V188-V220 HydrophobicContact CG2-CG1 3.98Å; D216-V220 WeakPolarHBondContact O-CG2 3.27Å; D216-V220 PolarHBondContact O-N 3.16Å; L218-V220 VanDerWaalsContact C-N 3.33Å; L218-V220 PolarHBondContact O-N 3.45Å; V220-R222 VanDerWaalsContact C-N 3.35Å; V220-R222 PolarHBondContact O-N 3.49Å; V220-F223 WeakPolarHBondContact O-CB 3.41Å; V220-F223 PolarHBondContact O-N 2.59Å; V220-I224 HydrophobicContact CG1-CD1 4.03Å; V220-I224 HydrophobicContact CG1-CG1 4.43Å; V220-I224 VanDerWaalsContact O-CG1 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.39Å; V220-I224 PolarHBondContact O-N 3.08Å
221	A	99	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-42	173.6	0	0	0	0	0	111.9	H179 V188 F204 I206 H217 L218 I224 L225	H179-A221 PolarHBondContact NE2-O 3.41Å; V188-A221 HydrophobicContact CG1-CB 4.02Å; F204-A221 HydrophobicContact CD2-CB 4.5Å; F204-A221 HydrophobicContact CE2-CB 3.62Å; F204-A221 HydrophobicContact CZ-CB 4.06Å; I206-A221 HydrophobicContact CD1-CB 3.74Å; I206-A221 HydrophobicContact CG1-CB 4.09Å; H217-A221 VanDerWaalsContact O-CB 3.29Å; H217-A221 WeakPolarHBondContact O-CB 3.02Å; H217-A221 PolarHBondContact O-N 2.93Å; L218-A221 WeakPolarHBondContact O-CB 3.48Å; L218-A221 PolarHBondContact O-N 2.62Å; A221-I224 PolarHBondContact O-N 3.28Å; A221-L225 PolarHBondContact O-N 2.87Å
222	R	99	Very high	98.9	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.008	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-44.3	173.4	-70.5	175.2	175.3	172.1	-3.7	111.6	L40 L218 W219 V220 I224 L225 H226 F238 A344 C346	L40-R222 HydrophobicContact CD1-CB 4.21Å; L218-R222 HydrophobicContact CD1-CG 4.38Å; L218-R222 HydrophobicContact CG-CG 4.5Å; L218-R222 WeakPolarHBondContact O-CG 3.49Å; L218-R222 PolarHBondContact O-N 2.94Å; W219-R222 PolarHBondContact O-N 2.92Å; V220-R222 VanDerWaalsContact C-N 3.35Å; V220-R222 PolarHBondContact O-N 3.49Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-I224 PolarHBondContact O-N 3.22Å; R222-L225 WeakPolarHBondContact O-CB 3.34Å; R222-L225 PolarHBondContact O-N 2.89Å; R222-H226 PolarHBondContact O-CD2 2.87Å; R222-H226 PolarHBondContact O-N 3.24Å; R222-F238 HydrophobicContact CB-CE2 3.87Å; R222-F238 HydrophobicContact CB-CZ 3.87Å; R222-F238 HydrophobicContact CG-CE1 4.38Å; R222-F238 HydrophobicContact CG-CE2 3.69Å; R222-F238 HydrophobicContact CG-CZ 3.58Å; R222-A344 PolarHBondContact NH2-O 3.11Å; R222-A344 VanDerWaalsContact NH2-O 3.12Å; R222-C346 VanDerWaalsContact CZ-O 3.3Å; R222-C346 PolarHBondContact NH1-O 2.66Å; R222-C346 PolarHBondContact NH2-O 3.45Å
223	F	99	Very high	98.9	Very high	10 Å²	10	20.8 Å²	20.8	4%	0.044	10%	0.1	C	C	.	.	H	α-helix	trans	-56.9	-47.6	174.5	-179.2	-99.2	0	0	0	111.8	M29 I31 L40 C42 F89 L96 W219 V220 L225 H226 R227	M29-F223 HydrophobicContact SD-CE1 3.77Å; M29-F223 HydrophobicContact SD-CZ 3.44Å; M29-F223 WeakPolarHBondContact SD-CZ 3.41Å; I31-F223 HydrophobicContact CD1-CB 4.41Å; I31-F223 HydrophobicContact CD1-CD1 3.4Å; I31-F223 HydrophobicContact CD1-CD2 4.18Å; I31-F223 HydrophobicContact CD1-CE1 3.59Å; I31-F223 HydrophobicContact CD1-CE2 4.35Å; I31-F223 HydrophobicContact CD1-CG 3.72Å; I31-F223 HydrophobicContact CD1-CZ 4.08Å; I31-F223 HydrophobicContact CG1-CD1 4.1Å; I31-F223 HydrophobicContact CG1-CD2 4.09Å; I31-F223 HydrophobicContact CG1-CE1 3.98Å; I31-F223 HydrophobicContact CG1-CE2 3.98Å; I31-F223 HydrophobicContact CG1-CG 4.15Å; I31-F223 HydrophobicContact CG1-CZ 3.93Å; I31-F223 HydrophobicContact CG2-CB 4.31Å; I31-F223 HydrophobicContact CG2-CD2 3.68Å; I31-F223 HydrophobicContact CG2-CE2 4.2Å; I31-F223 HydrophobicContact CG2-CG 3.98Å; L40-F223 HydrophobicContact CB-CD2 4.33Å; L40-F223 HydrophobicContact CD1-CB 3.83Å; L40-F223 HydrophobicContact CD1-CD2 4.38Å; C42-F223 HydrophobicContact CB-CE2 3.78Å; C42-F223 HydrophobicContact CB-CZ 3.95Å; F89-F223 HydrophobicContact CE2-CE1 4.35Å; L96-F223 HydrophobicContact CD1-CD1 4.31Å; L96-F223 HydrophobicContact CD1-CE1 4.45Å; L96-F223 HydrophobicContact CD2-CE1 4.23Å; W219-F223 PolarHBondContact O-N 3.13Å; V220-F223 WeakPolarHBondContact O-CB 3.41Å; V220-F223 PolarHBondContact O-N 2.59Å; F223-L225 VanDerWaalsContact C-N 3.3Å; F223-L225 PolarHBondContact O-N 3.23Å; F223-H226 PolarHBondContact O-N 3.23Å; F223-R227 HydrophobicContact CD1-CG 4.08Å; F223-R227 HydrophobicContact CE1-CG 3.54Å; F223-R227 HydrophobicContact CE2-CG 4.16Å; F223-R227 HydrophobicContact CZ-CG 3.56Å; F223-R227 WeakPolarHBondContact O-CG 3.43Å; F223-R227 PolarHBondContact O-N 3.49Å
224	I	99	Very high	98.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-61.3	-42.3	178.4	-68.5	169	0	0	0	110.2	P88 F89 L96 A182 A186 V188 V220 A221 R222 H226 R227 V228	P88-I224 HydrophobicContact CG-CD1 4.34Å; P88-I224 HydrophobicContact CG-CG1 4.39Å; F89-I224 HydrophobicContact CE2-CG1 4.31Å; F89-I224 HydrophobicContact CZ-CB 4.27Å; F89-I224 HydrophobicContact CZ-CG1 4.26Å; F89-I224 HydrophobicContact CZ-CG2 3.98Å; L96-I224 HydrophobicContact CD1-CD1 4.35Å; L96-I224 HydrophobicContact CD1-CG1 4.12Å; A182-I224 HydrophobicContact CB-CG2 3.51Å; A186-I224 HydrophobicContact CB-CD1 3.83Å; V188-I224 HydrophobicContact CG2-CD1 4.08Å; V220-I224 HydrophobicContact CG1-CD1 4.03Å; V220-I224 HydrophobicContact CG1-CG1 4.43Å; V220-I224 VanDerWaalsContact O-CG1 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.39Å; V220-I224 PolarHBondContact O-N 3.08Å; A221-I224 PolarHBondContact O-N 3.28Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-I224 PolarHBondContact O-N 3.22Å; I224-H226 PolarHBondContact O-N 3.43Å; I224-R227 PolarHBondContact O-N 2.85Å; I224-V228 HydrophobicContact CG2-CG2 4.25Å; I224-V228 WeakPolarHBondContact O-CB 3.44Å; I224-V228 VanDerWaalsContact O-CG2 3.3Å; I224-V228 WeakPolarHBondContact O-CG2 3.35Å; I224-V228 PolarHBondContact O-N 3.26Å
225	L	98.9	Very high	98.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.9	-49.1	176.7	-179.9	61.8	0	0	0	111.4	Y137 I175 H179 F204 A221 R222 F223 R227 V228 C229 A236 F238	Y137-L225 HydrophobicContact CD1-CD2 3.96Å; Y137-L225 HydrophobicContact CD2-CD2 3.68Å; Y137-L225 HydrophobicContact CE1-CD2 4.09Å; Y137-L225 HydrophobicContact CE2-CD1 3.88Å; Y137-L225 HydrophobicContact CE2-CD2 3.78Å; Y137-L225 HydrophobicContact CE2-CG 4.43Å; Y137-L225 HydrophobicContact CG-CD2 3.75Å; I175-L225 HydrophobicContact CG2-CD1 3.85Å; H179-L225 HydrophobicContact CB-CD1 4.37Å; H179-L225 VanDerWaalsContact CD2-CA 3.49Å; H179-L225 WeakPolarHBondContact CD2-CA 3.43Å; H179-L225 PolarHBondContact CD2-N 3.26Å; F204-L225 HydrophobicContact CE1-CD2 3.98Å; A221-L225 PolarHBondContact O-N 2.87Å; R222-L225 WeakPolarHBondContact O-CB 3.34Å; R222-L225 PolarHBondContact O-N 2.89Å; F223-L225 VanDerWaalsContact C-N 3.3Å; F223-L225 PolarHBondContact O-N 3.23Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-R227 PolarHBondContact O-N 2.96Å; L225-V228 PolarHBondContact O-N 3.23Å; L225-C229 WeakPolarHBondContact O-CB 3.35Å; L225-C229 PolarHBondContact O-N 3.19Å; L225-C229 PolarHBondContact O-SG 3.38Å; L225-A236 HydrophobicContact CD2-CB 3.75Å; L225-A236 HydrophobicContact CG-CB 3.88Å; L225-F238 HydrophobicContact CD2-CE1 3.87Å; L225-F238 HydrophobicContact CD2-CZ 3.96Å
226	H	98.9	Very high	98.8	Very high	63 Å²	63	23.9 Å²	23.9	29%	0.292	12%	0.115	S	C	.	.	H	α-helix	trans	-59.5	-43.8	177.5	-70.7	-54.3	0	0	0	112.4	R222 F223 I224 C229 E230 A236 F238	R222-H226 PolarHBondContact O-CD2 2.87Å; R222-H226 PolarHBondContact O-N 3.24Å; F223-H226 PolarHBondContact O-N 3.23Å; I224-H226 PolarHBondContact O-N 3.43Å; H226-C229 PolarHBondContact O-N 3Å; H226-E230 WeakPolarHBondContact O-CB 3.49Å; H226-E230 PolarHBondContact O-N 2.85Å; H226-A236 PolarHBondContact CE1-O 3.08Å; H226-F238 AromaticContact CE1-CE2 3.74Å; H226-F238 AromaticContact NE2-CE2 3.3Å; H226-F238 VanDerWaalsContact NE2-CE2 3.3Å; H226-F238 WeakPolarHBondContact NE2-CE2 3.49Å; H226-F238 AromaticContact NE2-CZ 3.97Å
227	R	98.9	Very high	98.8	Very high	37 Å²	37	24.9 Å²	24.9	14%	0.14	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-39.4	177.8	-76.3	-67.4	-54.4	133	16.6	112.9	F89 F223 I224 L225 E230 D231	F89-R227 HydrophobicContact CD1-CB 4.31Å; F89-R227 HydrophobicContact CD2-CB 4.47Å; F89-R227 HydrophobicContact CE1-CB 3.53Å; F89-R227 HydrophobicContact CE2-CB 3.72Å; F89-R227 HydrophobicContact CE2-CG 3.9Å; F89-R227 HydrophobicContact CZ-CB 3.2Å; F89-R227 HydrophobicContact CZ-CG 3.93Å; F223-R227 HydrophobicContact CD1-CG 4.08Å; F223-R227 HydrophobicContact CE1-CG 3.54Å; F223-R227 HydrophobicContact CE2-CG 4.16Å; F223-R227 HydrophobicContact CZ-CG 3.56Å; F223-R227 WeakPolarHBondContact O-CG 3.43Å; F223-R227 PolarHBondContact O-N 3.49Å; I224-R227 PolarHBondContact O-N 2.85Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-R227 PolarHBondContact O-N 2.96Å; R227-E230 IonicContact CZ-OE1 3.47Å; R227-E230 IonicContact NH1-OE1 2.82Å; R227-E230 PolarHBondContact NH1-OE1 3.13Å; R227-E230 IonicContact NH1-OE2 3.52Å; R227-E230 PolarHBondContact NH1-OE2 2.99Å; R227-D231 PolarHBondContact O-N 3Å
228	V	98.9	Very high	98.8	Very high	9 Å²	9	24.8 Å²	24.8	6%	0.055	12%	0.121	C	C	.	.	H	α-helix	trans	-65.5	-50.9	174.2	170.8	0	0	0	0	109.9	F89 I175 A178 I224 L225 E230 D231 F232	F89-V228 HydrophobicContact CE1-CG2 4Å; I175-V228 HydrophobicContact CG2-CG1 4.1Å; A178-V228 HydrophobicContact CB-CG1 3.86Å; I224-V228 HydrophobicContact CG2-CG2 4.25Å; I224-V228 WeakPolarHBondContact O-CB 3.44Å; I224-V228 VanDerWaalsContact O-CG2 3.3Å; I224-V228 WeakPolarHBondContact O-CG2 3.35Å; I224-V228 PolarHBondContact O-N 3.26Å; L225-V228 PolarHBondContact O-N 3.23Å; V228-E230 PolarHBondContact O-N 3.41Å; V228-D231 PolarHBondContact O-N 3.08Å; V228-D231 VanDerWaalsContact O-N 3.08Å; V228-F232 HydrophobicContact CG1-CD2 3.9Å; V228-F232 HydrophobicContact CG1-CE2 3.93Å; V228-F232 WeakPolarHBondContact O-CD2 3.3Å; V228-F232 PolarHBondContact O-N 3.12Å
229	C	98.8	Very high	98.8	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	13%	0.132	C	C	.	.	H	α-helix	trans	-55.4	-38.9	176.3	-74.3	0	0	0	0	112.3	L225 H226 D231 F232 G233 V234	L225-C229 WeakPolarHBondContact O-CB 3.35Å; L225-C229 PolarHBondContact O-N 3.19Å; L225-C229 PolarHBondContact O-SG 3.38Å; H226-C229 PolarHBondContact O-N 3Å; C229-D231 PolarHBondContact O-N 3.27Å; C229-F232 CarbonylContact O-C 3.59Å; C229-F232 PolarHBondContact O-N 2.92Å; C229-G233 PolarHBondContact O-N 2.78Å; C229-V234 CarbonylContact C-O 3.57Å; C229-V234 HydrophobicContact CB-CG2 3.88Å; C229-V234 WeakPolarHBondContact CB-O 3.4Å; C229-V234 PolarHBondContact O-N 3.31Å
230	E	98.7	Very high	98.8	Very high	111 Å²	111	26.8 Å²	26.8	52%	0.519	13%	0.132	S	C	.	.	H	α-helix	trans	-60.9	-43	176.2	-166.4	-162	100.7	0	0	112.3	H226 R227 V228 F232 G233	H226-E230 WeakPolarHBondContact O-CB 3.49Å; H226-E230 PolarHBondContact O-N 2.85Å; R227-E230 IonicContact CZ-OE1 3.47Å; R227-E230 IonicContact NH1-OE1 2.82Å; R227-E230 PolarHBondContact NH1-OE1 3.13Å; R227-E230 IonicContact NH1-OE2 3.52Å; R227-E230 PolarHBondContact NH1-OE2 2.99Å; V228-E230 PolarHBondContact O-N 3.41Å; E230-F232 VanDerWaalsContact C-N 3.3Å; E230-F232 PolarHBondContact O-N 2.98Å; E230-G233 PolarHBondContact O-N 3.21Å
231	D	98.6	Very high	98.8	Very high	48 Å²	48	28 Å²	28	26%	0.257	14%	0.137	S	C	.	.	H	α-helix	trans	-65	-35.2	177.7	-87.8	-27.8	0	0	0	111.6	K11 K14 R227 V228 C229	K11-D231 WeakPolarHBondContact CE-O 3.2Å; K11-D231 PolarHBondContact NZ-O 3.29Å; K14-D231 IonicContact NZ-OD1 3.45Å; K14-D231 PolarHBondContact NZ-OD1 2.63Å; K14-D231 IonicContact NZ-OD2 2.63Å; R227-D231 PolarHBondContact O-N 3Å; V228-D231 PolarHBondContact O-N 3.08Å; V228-D231 VanDerWaalsContact O-N 3.08Å; C229-D231 PolarHBondContact O-N 3.27Å
232	F	98.6	Very high	98.7	Very high	84 Å²	84	29.3 Å²	29.3	37%	0.368	15%	0.145	S	C	.	.	H	α-helix	trans	-83	-11.9	175	-76.7	-79.4	0	0	0	114.6	D174 I175 A178 V228 C229 E230 V234	D174-F232 HydrophobicContact CB-CE1 3.84Å; D174-F232 HydrophobicContact CB-CZ 3.89Å; I175-F232 HydrophobicContact CD1-CB 4.18Å; I175-F232 HydrophobicContact CD1-CD1 4.44Å; I175-F232 HydrophobicContact CD1-CD2 4.42Å; I175-F232 HydrophobicContact CD1-CG 4.11Å; I175-F232 HydrophobicContact CG1-CB 4.1Å; I175-F232 HydrophobicContact CG1-CD2 3.86Å; I175-F232 HydrophobicContact CG1-CE2 4.49Å; I175-F232 HydrophobicContact CG1-CG 4Å; A178-F232 HydrophobicContact CB-CE2 4.06Å; V228-F232 HydrophobicContact CG1-CD2 3.9Å; V228-F232 HydrophobicContact CG1-CE2 3.93Å; V228-F232 WeakPolarHBondContact O-CD2 3.3Å; V228-F232 PolarHBondContact O-N 3.12Å; C229-F232 CarbonylContact O-C 3.59Å; C229-F232 PolarHBondContact O-N 2.92Å; E230-F232 VanDerWaalsContact C-N 3.3Å; E230-F232 PolarHBondContact O-N 2.98Å; F232-V234 HydrophobicContact CB-CG2 4.38Å
233	G	98.6	Very high	98.7	Very high	2 Å²	2	30.2 Å²	30.2	2%	0.021	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	24.2	179.2	0	0	0	0	0	116	T3 S4 C229 E230	T3-G233 CarbonylContact C-O 3.59Å; T3-G233 VanDerWaalsContact CA-O 3.3Å; T3-G233 WeakPolarHBondContact CA-O 3.45Å; S4-G233 PolarHBondContact N-O 3.44Å; S4-G233 VanDerWaalsContact OG-CA 3.28Å; S4-G233 WeakPolarHBondContact OG-CA 3.46Å; C229-G233 PolarHBondContact O-N 2.78Å; E230-G233 PolarHBondContact O-N 3.21Å
234	V	98.7	Very high	98.5	Very high	8 Å²	8	34.8 Å²	34.8	5%	0.048	18%	0.181	C	C	.	.			trans	-113.1	168.2	175.7	-61.3	0	0	0	0	110.3	T3 L139 M140 F147 I175 C229 F232	T3-V234 HydrophobicContact CG2-CG1 4.24Å; L139-V234 HydrophobicContact CD2-CG2 4.23Å; M140-V234 WeakPolarHBondContact O-CB 3.5Å; F147-V234 HydrophobicContact CD2-CG1 3.49Å; F147-V234 VanDerWaalsContact CD2-CG1 3.49Å; F147-V234 HydrophobicContact CE2-CG1 3.69Å; F147-V234 HydrophobicContact CG-CG1 4.1Å; F147-V234 HydrophobicContact CZ-CG1 4.44Å; I175-V234 HydrophobicContact CD1-CG2 4.08Å; I175-V234 HydrophobicContact CG1-CG2 3.96Å; C229-V234 CarbonylContact C-O 3.57Å; C229-V234 HydrophobicContact CB-CG2 3.88Å; C229-V234 WeakPolarHBondContact CB-O 3.4Å; C229-V234 PolarHBondContact O-N 3.31Å; F232-V234 HydrophobicContact CB-CG2 4.38Å
235	I	98.8	Very high	98.3	Very high	83 Å²	83	37.1 Å²	37.1	43%	0.426	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.5	176.8	-63.3	168.3	0	0	0	108	L139 M140	L139-I235 CarbonylContact C-O 3.51Å; L139-I235 WeakPolarHBondContact CA-O 3.47Å; M140-I235 HydrophobicContact CB-CB 4.22Å; M140-I235 PolarHBondContact N-O 3.05Å; M140-I235 PolarHBondContact O-N 2.77Å
236	A	98.8	Very high	98.1	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.041	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	123.6	163.4	0	0	0	0	0	108.6	Y137 L225 H226	Y137-A236 HydrophobicContact CD2-CB 4.16Å; L225-A236 HydrophobicContact CD2-CB 3.75Å; L225-A236 HydrophobicContact CG-CB 3.88Å; H226-A236 PolarHBondContact CE1-O 3.08Å
237	T	98.8	Very high	97.9	Very high	34 Å²	34	41.5 Å²	41.5	21%	0.209	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	136.8	171.4	-176.5	0	0	0	0	110.7	Y137 T138 M140 D239 P242	Y137-T237 WeakPolarHBondContact CA-O 3.33Å; T138-T237 PolarHBondContact N-O 2.93Å; T138-T237 PolarHBondContact O-N 3.42Å; M140-T237 HydrophobicContact CG-CG2 3.7Å; M140-T237 HydrophobicContact SD-CG2 4.09Å; T237-D239 WeakPolarHBondContact OG1-CB 3.34Å; T237-D239 PolarHBondContact OG1-N 2.59Å; T237-D239 VanDerWaalsContact OG1-N 3.16Å; T237-P242 HydrophobicContact CG2-CB 4.08Å
238	F	98.9	Very high	97.9	Very high	21 Å²	21	40.7 Å²	40.7	9%	0.092	23%	0.227	C	C	.	.			trans	-100.8	11.1	171.5	-57.1	-49.4	0	0	0	112.2	Q135 Y137 R222 L225 H226 A344 N345	Q135-F238 HydrophobicContact CG-CD1 4.46Å; Q135-F238 HydrophobicContact CG-CE1 4.14Å; Y137-F238 HydrophobicContact CG-CE1 4.38Å; R222-F238 HydrophobicContact CB-CE2 3.87Å; R222-F238 HydrophobicContact CB-CZ 3.87Å; R222-F238 HydrophobicContact CG-CE1 4.38Å; R222-F238 HydrophobicContact CG-CE2 3.69Å; R222-F238 HydrophobicContact CG-CZ 3.58Å; L225-F238 HydrophobicContact CD2-CE1 3.87Å; L225-F238 HydrophobicContact CD2-CZ 3.96Å; H226-F238 AromaticContact CE1-CE2 3.74Å; H226-F238 AromaticContact NE2-CE2 3.3Å; H226-F238 VanDerWaalsContact NE2-CE2 3.3Å; H226-F238 WeakPolarHBondContact NE2-CE2 3.49Å; H226-F238 AromaticContact NE2-CZ 3.97Å; F238-A344 HydrophobicContact CB-CB 4.45Å; F238-A344 CarbonylContact O-C 3.49Å; F238-A344 WeakPolarHBondContact O-CB 3.42Å; F238-N345 HydrophobicContact CB-CB 4.1Å; F238-N345 WeakPolarHBondContact O-CB 3.38Å; F238-N345 PolarHBondContact O-N 2.81Å
239	D	98.7	Very high	97.8	Very high	44 Å²	44	40.8 Å²	40.8	24%	0.235	23%	0.23	C	C	.	.			trans	-56.2	131.6	174.5	-176	-78	0	0	0	110.4	T237 K241 P242 R298	T237-D239 WeakPolarHBondContact OG1-CB 3.34Å; T237-D239 PolarHBondContact OG1-N 2.59Å; T237-D239 VanDerWaalsContact OG1-N 3.16Å; D239-K241 PolarHBondContact O-N 3.19Å; D239-K241 WeakPolarHBondContact OD1-CA 3.42Å; D239-K241 PolarHBondContact OD1-N 2.94Å; D239-P242 WeakPolarHBondContact O-CD 3.26Å; D239-R298 IonicContact OD1-CZ 3.5Å; D239-R298 IonicContact OD1-NH1 2.72Å; D239-R298 PolarHBondContact OD1-NH1 3Å; D239-R298 IonicContact OD1-NH2 3.37Å; D239-R298 PolarHBondContact OD1-NH2 3.16Å; D239-R298 IonicContact OD2-CZ 3.44Å; D239-R298 IonicContact OD2-NH1 3.3Å; D239-R298 PolarHBondContact OD2-NH1 3.35Å; D239-R298 IonicContact OD2-NH2 2.72Å; D239-R298 PolarHBondContact OD2-NH2 3.41Å
240	P	98.5	Very high	97.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-70.9	-13.3	-174.6	24.2	-33.2	0	0	0	115.1	G249 A250 D295 R299 S343	P240-G249 CarbonylContact O-C 3.42Å; P240-G249 WeakPolarHBondContact O-CA 3.5Å; P240-A250 WeakPolarHBondContact CA-O 3.19Å; P240-A250 PolarHBondContact O-N 3.13Å; P240-D295 HydrophobicContact CG-CB 3.83Å; P240-D295 WeakPolarHBondContact CG-O 3.28Å; P240-R299 HydrophobicContact CB-CB 3.98Å; P240-S343 VanDerWaalsContact CB-OG 3.23Å; P240-S343 WeakPolarHBondContact CB-OG 3.38Å; P240-S343 VanDerWaalsContact CG-OG 3.3Å; P240-S343 WeakPolarHBondContact CG-OG 3.44Å
241	K	98.4	Very high	97.7	Very high	26 Å²	26	35.5 Å²	35.5	11%	0.113	21%	0.205	C	C	.	.			trans	-148.3	73.1	177	-170	71.1	175.7	-170.5	0	109.2	D239 I243 G245 W247 R298	D239-K241 PolarHBondContact O-N 3.19Å; D239-K241 WeakPolarHBondContact OD1-CA 3.42Å; D239-K241 PolarHBondContact OD1-N 2.94Å; K241-I243 VanDerWaalsContact C-N 3.29Å; K241-I243 WeakPolarHBondContact CE-O 3.3Å; K241-I243 PolarHBondContact O-N 3.41Å; K241-G245 PolarHBondContact NZ-O 3.23Å; K241-G245 VanDerWaalsContact NZ-O 3.08Å; K241-W247 PolarHBondContact NZ-O 3.32Å; K241-R298 HydrophobicContact CB-CB 3.75Å; K241-R298 HydrophobicContact CG-CB 4.26Å; K241-R298 WeakPolarHBondContact CG-O 3.31Å; K241-R298 PolarHBondContact O-NH1 3.26Å
242	P	97.8	Very high	97.8	Very high	26 Å²	26	33.2 Å²	33.2	17%	0.169	19%	0.193	C	C	.	.	S	Bend	trans	-68.6	-30.4	-170.6	24.5	-29.6	0	0	0	112.2	T138 M198 T237 D239	T138-P242 WeakPolarHBondContact OG1-CG 3.19Å; M198-P242 HydrophobicContact CE-CG 4.07Å; T237-P242 HydrophobicContact CG2-CB 4.08Å; D239-P242 WeakPolarHBondContact O-CD 3.26Å
243	I	97.7	Very high	97.8	Very high	22 Å²	22	29.8 Å²	29.8	11%	0.113	18%	0.178	C	C	.	.	S	Bend	trans	-121.1	123.5	175.1	-53.3	-63.6	0	0	0	109.8	P146 W149 F154 M198 K241 W247	P146-I243 HydrophobicContact CG-CD1 3.5Å; P146-I243 HydrophobicContact CG-CG1 3.77Å; W149-I243 HydrophobicContact CH2-CG1 4.2Å; W149-I243 HydrophobicContact CH2-CG2 4.22Å; W149-I243 HydrophobicContact CZ3-CG2 4.37Å; F154-I243 HydrophobicContact CE1-CG2 4.44Å; M198-I243 HydrophobicContact SD-CB 4.3Å; M198-I243 HydrophobicContact SD-CG1 4.09Å; K241-I243 VanDerWaalsContact C-N 3.29Å; K241-I243 WeakPolarHBondContact CE-O 3.3Å; K241-I243 PolarHBondContact O-N 3.41Å; I243-W247 HydrophobicContact CB-CB 4.26Å; I243-W247 HydrophobicContact CB-CG 4.34Å; I243-W247 HydrophobicContact CG2-CB 4.41Å; I243-W247 VanDerWaalsContact CG2-CD1 3.42Å; I243-W247 HydrophobicContact CG2-CG 4.01Å
244	P	95.4	Very high	97.8	Very high	105 Å²	105	29.7 Å²	29.7	68%	0.682	18%	0.177	S	C	*	.			trans	-63.4	158.4	175.3	-22.4	33.4	0	0	0	113.4
245	G	94.4	Very high	97.8	Very high	49 Å²	49	30.5 Å²	30.5	51%	0.505	18%	0.181	S	C	.	.	S	Bend	trans	86.3	-145.8	174	0	0	0	0	0	114.1	K241 W247	K241-G245 PolarHBondContact NZ-O 3.23Å; K241-G245 VanDerWaalsContact NZ-O 3.08Å; G245-W247 PolarHBondContact O-N 2.97Å
246	N	94.8	Very high	97.8	Very high	131 Å²	131	26.6 Å²	26.6	70%	0.701	16%	0.161	S	C	*	.	S	Bend	trans	-77.5	41	-171.4	-79	-18.5	0	0	0	114.1
247	W	96.2	Very high	97.8	Very high	24 Å²	24	26.7 Å²	26.7	9%	0.091	16%	0.162	C	C	.	.	S	Bend	trans	-119	144.7	174.5	-60.6	104	0	0	0	109.2	W149 F154 P155 G156 Q158 M198 P199 K241 I243 G245	W149-W247 AromaticContact CH2-CD2 3.69Å; W149-W247 HydrophobicContact CH2-CD2 3.69Å; W149-W247 AromaticContact CH2-CE2 3.61Å; W149-W247 HydrophobicContact CH2-CE3 4.01Å; W149-W247 HydrophobicContact CH2-CG 4.18Å; W149-W247 HydrophobicContact CH2-CH2 4.18Å; W149-W247 AromaticContact CH2-CZ2 3.88Å; W149-W247 HydrophobicContact CH2-CZ2 3.88Å; W149-W247 HydrophobicContact CH2-CZ3 4.23Å; W149-W247 HydrophobicContact CZ2-CD2 4.28Å; W149-W247 HydrophobicContact CZ2-CE3 4.14Å; W149-W247 HydrophobicContact CZ2-CH2 4.45Å; W149-W247 HydrophobicContact CZ2-CZ3 4.23Å; W149-W247 HydrophobicContact CZ3-CZ2 4.31Å; F154-W247 HydrophobicContact CB-CZ2 4.12Å; F154-W247 AromaticContact CD1-CE2 3.9Å; F154-W247 AromaticContact CD1-CZ2 3.76Å; F154-W247 HydrophobicContact CD1-CZ2 3.76Å; F154-W247 AromaticContact CD1-NE1 3.57Å; F154-W247 AromaticContact CE1-NE1 3.72Å; F154-W247 HydrophobicContact CG-CZ2 4.36Å; P155-W247 HydrophobicContact CG-CH2 3.84Å; P155-W247 HydrophobicContact CG-CZ3 4.31Å; G156-W247 WeakPolarHBondContact O-CH2 3.5Å; Q158-W247 HydrophobicContact CG-CE3 3.51Å; Q158-W247 HydrophobicContact CG-CZ3 3.62Å; Q158-W247 VanDerWaalsContact OE1-CA 3.27Å; M198-W247 HydrophobicContact CG-CB 4.37Å; M198-W247 HydrophobicContact CG-CE3 3.91Å; M198-W247 HydrophobicContact SD-CB 3.85Å; M198-W247 HydrophobicContact SD-CG 4.44Å; P199-W247 HydrophobicContact CG-CZ3 4.04Å; K241-W247 PolarHBondContact NZ-O 3.32Å; I243-W247 HydrophobicContact CB-CB 4.26Å; I243-W247 HydrophobicContact CB-CG 4.34Å; I243-W247 HydrophobicContact CG2-CB 4.41Å; I243-W247 VanDerWaalsContact CG2-CD1 3.42Å; I243-W247 HydrophobicContact CG2-CG 4.01Å; G245-W247 PolarHBondContact O-N 2.97Å
248	N	96.9	Very high	97.8	Very high	21 Å²	21	25.3 Å²	25.3	11%	0.112	15%	0.153	C	C	.	.			trans	-59.7	149.5	179.8	-87.6	41.8	0	0	0	111.3	Q158 V197 M198	Q158-N248 PolarHBondContact NE2-OD1 3.31Å; V197-N248 HydrophobicContact CB-CB 4.27Å; V197-N248 WeakPolarHBondContact CB-ND2 3.46Å; M198-N248 HydrophobicContact CB-CB 4.45Å
249	G	97.4	Very high	97.8	Very high	11 Å²	11	29.1 Å²	29.1	11%	0.113	17%	0.169	C	C	.	.			trans	-82.7	177.5	164.3	0	0	0	0	0	110.9	Q201 P240	Q201-G249 PolarHBondContact NE2-O 3.19Å; P240-G249 CarbonylContact O-C 3.42Å; P240-G249 WeakPolarHBondContact O-CA 3.5Å
250	A	98.5	Very high	97.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	17%	0.17	C	C	.	.			trans	-111.1	121.1	175.5	0	0	0	0	0	110.9	E136 P240 R299 A344	E136-A250 HydrophobicContact CB-CB 4.07Å; E136-A250 WeakPolarHBondContact OE2-CA 3.3Å; P240-A250 WeakPolarHBondContact CA-O 3.19Å; P240-A250 PolarHBondContact O-N 3.13Å; A250-R299 WeakPolarHBondContact O-CD 3.24Å; A250-A344 HydrophobicContact CB-CB 3.51Å; A250-A344 VanDerWaalsContact O-CB 3.26Å; A250-A344 WeakPolarHBondContact O-CB 3.42Å; A250-A344 PolarHBondContact O-N 3.4Å
251	G	98.3	Very high	97.8	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-100	170	176.6	0	0	0	0	0	114.5	E136	E136-G251 WeakPolarHBondContact CB-O 3.48Å; E136-G251 PolarHBondContact N-O 3.16Å; E136-G251 VanDerWaalsContact N-O 3.16Å; E136-G251 PolarHBondContact OE2-N 2.65Å
252	C	98.8	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	63.9	163.2	-165.8	0	0	0	0	110.3	E134 T254 P342 S343	E134-C252 CarbonylContact O-C 3.51Å; E134-C252 VanDerWaalsContact O-CA 3.24Å; E134-C252 WeakPolarHBondContact O-CA 3.49Å; C252-T254 PolarHBondContact O-N 2.9Å; C252-T254 PolarHBondContact O-OG1 2.87Å; C252-P342 HydrophobicContact CB-CB 4.28Å; C252-P342 PolarHBondContact N-O 2.74Å; C252-P342 WeakPolarHBondContact O-CB 3.45Å; C252-S343 WeakPolarHBondContact CB-O 3.32Å
253	H	98.7	Very high	97.9	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.056	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	136.8	-173.7	-52.4	144.9	0	0	0	110.8	M133 E134 E136 E338 D339 R340	M133-H253 VanDerWaalsContact CA-O 3.31Å; M133-H253 WeakPolarHBondContact CA-O 3.45Å; E134-H253 HydrophobicContact CB-CB 4.06Å; E134-H253 HydrophobicContact CG-CB 4.43Å; E134-H253 PolarHBondContact N-O 2.97Å; E134-H253 PolarHBondContact O-N 3.02Å; E134-H253 WeakPolarHBondContact OE2-CB 3.42Å; E134-H253 IonicContact OE2-CG 2.74Å; E134-H253 IonicContact OE2-ND1 3.78Å; E134-H253 PolarHBondContact OE2-ND1 2.93Å; E136-H253 IonicContact OE1-CE1 3.2Å; H253-E338 HydrophobicContact CB-CG 4.05Å; H253-D339 WeakPolarHBondContact CA-O 3.5Å; H253-R340 VanDerWaalsContact CD2-CA 3.48Å; H253-R340 WeakPolarHBondContact CD2-CA 3.32Å; H253-R340 PolarHBondContact CE1-NH2 2.68Å
254	T	98.9	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	109	-173	-58.3	0	0	0	0	110.5	F131 G132 M133 C252 D339 V351 L355	F131-T254 HydrophobicContact CD1-CG2 4.24Å; G132-T254 CarbonylContact O-C 3.39Å; G132-T254 WeakPolarHBondContact O-CA 3.45Å; M133-T254 HydrophobicContact CE-CG2 3.69Å; M133-T254 WeakPolarHBondContact CE-OG1 3.44Å; M133-T254 HydrophobicContact CG-CG2 4.09Å; C252-T254 PolarHBondContact O-N 2.9Å; C252-T254 PolarHBondContact O-OG1 2.87Å; T254-D339 PolarHBondContact N-O 2.72Å; T254-D339 PolarHBondContact O-N 2.9Å; T254-V351 HydrophobicContact CG2-CG1 4.25Å; T254-L355 HydrophobicContact CG2-CD1 3.72Å
255	N	98.9	Very high	98	Very high	26 Å²	26	38.4 Å²	38.4	14%	0.139	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	128.6	171.2	-63.9	-59.2	0	0	0	109.4	F131 G132 E134 Y336 F337 E338	F131-N255 CarbonylContact C-O 3.5Å; F131-N255 WeakPolarHBondContact CA-O 3.3Å; G132-N255 PolarHBondContact N-O 2.82Å; G132-N255 WeakPolarHBondContact O-CB 3.36Å; G132-N255 PolarHBondContact O-N 3.17Å; E134-N255 PolarHBondContact OE1-ND2 3.32Å; N255-Y336 HydrophobicContact CB-CD2 3.86Å; N255-Y336 HydrophobicContact CB-CE2 4.11Å; N255-Y336 WeakPolarHBondContact OD1-CE2 3.14Å; N255-F337 CarbonylContact C-O 3.56Å; N255-F337 WeakPolarHBondContact CA-O 3.4Å; N255-E338 WeakPolarHBondContact OD1-CB 3.4Å
256	F	98.9	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.5	-178.1	174.8	-127.9	0	0	0	112.7	P129 W130 F131 T258 M261 Y336 F337 L355 I356 C359 L360	P129-F256 HydrophobicContact CB-CE2 3.87Å; W130-F256 WeakPolarHBondContact O-CA 3.48Å; F131-F256 HydrophobicContact CD1-CB 4.21Å; F131-F256 AromaticContact CD1-CD2 3.65Å; F131-F256 HydrophobicContact CD1-CD2 3.65Å; F131-F256 HydrophobicContact CD1-CE2 4.49Å; F131-F256 HydrophobicContact CD1-CG 4.25Å; F131-F256 HydrophobicContact CE1-CB 4.3Å; F131-F256 AromaticContact CE1-CD2 3.23Å; F131-F256 HydrophobicContact CE1-CD2 3.23Å; F131-F256 AromaticContact CE1-CE2 3.73Å; F131-F256 HydrophobicContact CE1-CE2 3.73Å; F131-F256 AromaticContact CE1-CG 3.91Å; F131-F256 HydrophobicContact CE1-CG 3.91Å; F131-F256 HydrophobicContact CG-CD2 4.48Å; F131-F256 AromaticContact CZ-CD2 3.77Å; F131-F256 HydrophobicContact CZ-CD2 3.77Å; F131-F256 AromaticContact CZ-CE2 3.78Å; F131-F256 HydrophobicContact CZ-CE2 3.78Å; F256-T258 HydrophobicContact CE2-CG2 4.36Å; F256-T258 HydrophobicContact CZ-CG2 3.92Å; F256-M261 HydrophobicContact CE1-CE 4.29Å; F256-Y336 WeakPolarHBondContact O-CA 3.38Å; F256-Y336 VanDerWaalsContact O-CB 3.29Å; F256-Y336 WeakPolarHBondContact O-CB 3.2Å; F256-F337 HydrophobicContact CB-CE1 4.4Å; F256-F337 HydrophobicContact CB-CZ 4.24Å; F256-F337 AromaticContact CD1-CE1 3.56Å; F256-F337 HydrophobicContact CD1-CE1 3.56Å; F256-F337 AromaticContact CD1-CZ 3.53Å; F256-F337 HydrophobicContact CD1-CZ 3.53Å; F256-F337 HydrophobicContact CE1-CE1 4.31Å; F256-F337 HydrophobicContact CE1-CZ 4.41Å; F256-F337 HydrophobicContact CG-CE1 4.41Å; F256-F337 HydrophobicContact CG-CZ 4.38Å; F256-F337 PolarHBondContact N-O 3.2Å; F256-F337 PolarHBondContact O-N 2.71Å; F256-L355 HydrophobicContact CB-CD1 4.3Å; F256-I356 HydrophobicContact CE2-CD1 3.89Å; F256-I356 HydrophobicContact CZ-CD1 3.88Å; F256-C359 HydrophobicContact CE1-CB 3.93Å; F256-L360 HydrophobicContact CZ-CD1 4.26Å; F256-L360 HydrophobicContact CZ-CD2 4.41Å; F256-L360 HydrophobicContact CZ-CG 4.32Å
257	S	98.9	Very high	98.4	Very high	8 Å²	8	31 Å²	31	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.1	170.5	63.5	0	0	0	0	112.8	P129 W130 R262 G335	P129-S257 CarbonylContact C-O 3.6Å; P129-S257 WeakPolarHBondContact CA-O 3.34Å; W130-S257 PolarHBondContact N-O 2.57Å; W130-S257 PolarHBondContact O-N 3.11Å; S257-R262 PolarHBondContact O-NH1 2.68Å; S257-R262 WeakPolarHBondContact OG-CD 3.37Å; S257-R262 PolarHBondContact OG-NH1 3.47Å; S257-G335 WeakPolarHBondContact CB-O 3.31Å
258	T	98.9	Very high	98.5	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.025	18%	0.176	C	C	.	.			trans	-104.4	171.1	161.6	61.9	0	0	0	0	110.7	Q127 F256 A260 M261 R262 L360	Q127-T258 HydrophobicContact CB-CG2 4.37Å; F256-T258 HydrophobicContact CE2-CG2 4.36Å; F256-T258 HydrophobicContact CZ-CG2 3.92Å; T258-A260 PolarHBondContact O-N 3.37Å; T258-M261 PolarHBondContact N-SD 2.9Å; T258-M261 PolarHBondContact O-N 2.85Å; T258-M261 WeakPolarHBondContact OG1-CG 3.32Å; T258-M261 PolarHBondContact OG1-N 2.88Å; T258-R262 VanDerWaalsContact C-NH1 3.27Å; T258-R262 WeakPolarHBondContact O-CG 3.23Å; T258-R262 PolarHBondContact O-N 2.75Å; T258-R262 VanDerWaalsContact O-N 3.11Å; T258-R262 PolarHBondContact O-NH1 2.82Å; T258-L360 HydrophobicContact CG2-CD1 3.73Å; T258-L360 HydrophobicContact CG2-CD2 3.59Å; T258-L360 HydrophobicContact CG2-CG 4.28Å
259	K	98.8	Very high	98.6	Very high	101 Å²	101	39.7 Å²	39.7	44%	0.439	19%	0.19	S	C	.	.	H	α-helix	trans	-49.5	-46.6	170.9	-178.4	174.3	174.6	179.1	0	111.8	Q127 H128 M261 R262 E263	Q127-K259 WeakPolarHBondContact O-CB 3.31Å; Q127-K259 PolarHBondContact O-N 2.91Å; H128-K259 HydrophobicContact CB-CB 4.43Å; K259-M261 VanDerWaalsContact C-N 3.32Å; K259-M261 PolarHBondContact O-N 3.29Å; K259-R262 PolarHBondContact O-N 3.36Å; K259-R262 VanDerWaalsContact O-N 3.15Å; K259-E263 WeakPolarHBondContact CE-OE1 3.35Å; K259-E263 WeakPolarHBondContact CG-OE1 3.34Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 2.71Å; K259-E263 VanDerWaalsContact O-N 3.13Å
260	A	98.7	Very high	98.6	Very high	31 Å²	31	39.2 Å²	39.2	26%	0.256	19%	0.185	S	C	.	.	H	α-helix	trans	-62.4	-35.3	178.9	0	0	0	0	0	113.3	T258 G266 Y269	T258-A260 PolarHBondContact O-N 3.37Å; A260-G266 VanDerWaalsContact O-CA 3.25Å; A260-G266 WeakPolarHBondContact O-CA 3.33Å; A260-Y269 HydrophobicContact CB-CD1 4.5Å; A260-Y269 HydrophobicContact CB-CD2 3.79Å; A260-Y269 HydrophobicContact CB-CE2 3.99Å; A260-Y269 HydrophobicContact CB-CG 4.07Å; A260-Y269 WeakPolarHBondContact O-CD2 3.06Å
261	M	98.8	Very high	98.6	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-71.9	-29.8	176.6	-64.9	172.6	-177.2	0	0	112.7	F256 T258 K259 G266 Y269 I270 A273 G335 F337	F256-M261 HydrophobicContact CE1-CE 4.29Å; T258-M261 PolarHBondContact N-SD 2.9Å; T258-M261 PolarHBondContact O-N 2.85Å; T258-M261 WeakPolarHBondContact OG1-CG 3.32Å; T258-M261 PolarHBondContact OG1-N 2.88Å; K259-M261 VanDerWaalsContact C-N 3.32Å; K259-M261 PolarHBondContact O-N 3.29Å; M261-G266 WeakPolarHBondContact O-CA 3.46Å; M261-Y269 WeakPolarHBondContact CE-O 3.19Å; M261-I270 HydrophobicContact CB-CD1 4.42Å; M261-I270 HydrophobicContact CB-CG1 3.9Å; M261-I270 HydrophobicContact CG-CG1 3.79Å; M261-I270 HydrophobicContact SD-CG1 4.06Å; M261-A273 HydrophobicContact CE-CB 3.58Å; M261-G335 CarbonylContact C-O 3.58Å; M261-G335 PolarHBondContact O-N 3.11Å; M261-F337 HydrophobicContact CE-CE1 4.36Å
262	R	98.8	Very high	98.7	Very high	59 Å²	59	48.2 Å²	48.2	22%	0.223	23%	0.227	C	C	.	.	H	α-helix	trans	-82.7	-22.5	-179.2	-65.2	-170.5	-63.3	-89	7.1	113.4	H128 W130 S257 T258 K259	H128-R262 PolarHBondContact O-NH1 3.36Å; H128-R262 PolarHBondContact O-NH2 2.84Å; W130-R262 VanDerWaalsContact CD2-CZ 3.43Å; S257-R262 PolarHBondContact O-NH1 2.68Å; S257-R262 WeakPolarHBondContact OG-CD 3.37Å; S257-R262 PolarHBondContact OG-NH1 3.47Å; T258-R262 VanDerWaalsContact C-NH1 3.27Å; T258-R262 WeakPolarHBondContact O-CG 3.23Å; T258-R262 PolarHBondContact O-N 2.75Å; T258-R262 VanDerWaalsContact O-N 3.11Å; T258-R262 PolarHBondContact O-NH1 2.82Å; K259-R262 PolarHBondContact O-N 3.36Å; K259-R262 VanDerWaalsContact O-N 3.15Å
263	E	98.5	Very high	98.7	Very high	103 Å²	103	48.3 Å²	48.3	48%	0.481	23%	0.228	S	C	.	.	S	Bend	trans	-77.6	170.5	177.6	-74.3	174.9	178.9	0	0	112.3	K259 N265 G266 K334	K259-E263 WeakPolarHBondContact CE-OE1 3.35Å; K259-E263 WeakPolarHBondContact CG-OE1 3.34Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 2.71Å; K259-E263 VanDerWaalsContact O-N 3.13Å; E263-N265 PolarHBondContact O-N 2.87Å; E263-G266 WeakPolarHBondContact O-CA 3.4Å; E263-G266 PolarHBondContact O-N 2.87Å; E263-K334 WeakPolarHBondContact O-CB 3.41Å
264	E	98.1	Very high	98.7	Very high	123 Å²	123	48.5 Å²	48.5	58%	0.575	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	135.7	-176.7	-165.3	60.7	-148.1	0	0	112	G266 K334	E264-G266 PolarHBondContact O-N 3.17Å; E264-K334 IonicContact OE2-NZ 3.65Å; E264-K334 PolarHBondContact OE2-NZ 2.78Å
265	N	98.1	Very high	98.6	Very high	99 Å²	99	53.1 Å²	53.1	53%	0.529	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	19.7	-171.2	-55.4	-68.6	0	0	0	115	E263 L267 K268 K333	E263-N265 PolarHBondContact O-N 2.87Å; N265-L267 PolarHBondContact O-N 3.3Å; N265-L267 VanDerWaalsContact O-N 3.1Å; N265-K268 PolarHBondContact O-N 2.96Å; N265-K333 CarbonylContact C-O 3.57Å; N265-K333 VanDerWaalsContact C-O 3.24Å; N265-K333 WeakPolarHBondContact CA-O 3.48Å
266	G	98.6	Very high	98.6	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-16.4	178.3	0	0	0	0	0	115.5	A260 M261 E263 E264 K268 Y269 I270 K333	A260-G266 VanDerWaalsContact O-CA 3.25Å; A260-G266 WeakPolarHBondContact O-CA 3.33Å; M261-G266 WeakPolarHBondContact O-CA 3.46Å; E263-G266 WeakPolarHBondContact O-CA 3.4Å; E263-G266 PolarHBondContact O-N 2.87Å; E264-G266 PolarHBondContact O-N 3.17Å; G266-K268 PolarHBondContact O-N 2.97Å; G266-Y269 PolarHBondContact O-N 2.91Å; G266-I270 PolarHBondContact O-N 3.4Å; G266-K333 PolarHBondContact N-O 3.47Å
267	L	98.3	Very high	98.6	Very high	25 Å²	25	55 Å²	55	13%	0.131	26%	0.257	C	S	.	.	H	α-helix	trans	-54.7	-33.2	174.5	179.6	63.6	0	0	0	112.6	N265 Y269 I270 E271 I325 K333	N265-L267 PolarHBondContact O-N 3.3Å; N265-L267 VanDerWaalsContact O-N 3.1Å; L267-Y269 VanDerWaalsContact C-N 3.33Å; L267-Y269 PolarHBondContact O-N 3.42Å; L267-I270 HydrophobicContact CD1-CB 4.37Å; L267-I270 HydrophobicContact CD1-CG2 4.43Å; L267-I270 WeakPolarHBondContact O-CB 3.4Å; L267-I270 PolarHBondContact O-N 3.12Å; L267-I270 VanDerWaalsContact O-N 3.15Å; L267-E271 HydrophobicContact CD1-CG 4.39Å; L267-E271 HydrophobicContact CG-CG 4.45Å; L267-E271 WeakPolarHBondContact O-CG 3.06Å; L267-E271 PolarHBondContact O-N 3.45Å; L267-I325 HydrophobicContact CD1-CD1 4.31Å; L267-I325 HydrophobicContact CD1-CG2 4.18Å; L267-K333 HydrophobicContact CB-CB 4.14Å; L267-K333 WeakPolarHBondContact CB-O 3.38Å; L267-K333 HydrophobicContact CD2-CB 4.35Å; L267-K333 HydrophobicContact CD2-CG 4.26Å; L267-K333 PolarHBondContact N-O 3.43Å
268	K	98.5	Very high	98.6	Very high	121 Å²	121	56.4 Å²	56.4	53%	0.526	27%	0.267	S	S	.	.	H	α-helix	trans	-56.7	-47	174.4	177.3	-178.3	169.9	-175.6	0	111.6	N265 G266 I270 E271 E272	N265-K268 PolarHBondContact O-N 2.96Å; G266-K268 PolarHBondContact O-N 2.97Å; K268-I270 VanDerWaalsContact C-N 3.29Å; K268-I270 PolarHBondContact O-N 3.32Å; K268-E271 PolarHBondContact O-N 3.29Å; K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 IonicContact NZ-OE1 3.8Å; K268-E272 WeakPolarHBondContact O-CG 3.49Å; K268-E272 PolarHBondContact O-N 2.89Å
269	Y	98.7	Very high	98.6	Very high	106 Å²	106	63 Å²	63	42%	0.416	30%	0.296	S	S	.	.	H	α-helix	trans	-70.4	-28.8	179.8	-60.1	-72	0	0	0	112.1	A260 M261 G266 L267 A273	A260-Y269 HydrophobicContact CB-CD1 4.5Å; A260-Y269 HydrophobicContact CB-CD2 3.79Å; A260-Y269 HydrophobicContact CB-CE2 3.99Å; A260-Y269 HydrophobicContact CB-CG 4.07Å; A260-Y269 WeakPolarHBondContact O-CD2 3.06Å; M261-Y269 WeakPolarHBondContact CE-O 3.19Å; G266-Y269 PolarHBondContact O-N 2.91Å; L267-Y269 VanDerWaalsContact C-N 3.33Å; L267-Y269 PolarHBondContact O-N 3.42Å; Y269-A273 WeakPolarHBondContact O-CB 3.48Å; Y269-A273 PolarHBondContact O-N 3.04Å
270	I	98.8	Very high	98.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-63.2	-51.1	171.4	-66.8	173.6	0	0	0	109.8	M261 G266 L267 K268 E272 A273 I274 I325 V329 F337	M261-I270 HydrophobicContact CB-CD1 4.42Å; M261-I270 HydrophobicContact CB-CG1 3.9Å; M261-I270 HydrophobicContact CG-CG1 3.79Å; M261-I270 HydrophobicContact SD-CG1 4.06Å; G266-I270 PolarHBondContact O-N 3.4Å; L267-I270 HydrophobicContact CD1-CB 4.37Å; L267-I270 HydrophobicContact CD1-CG2 4.43Å; L267-I270 WeakPolarHBondContact O-CB 3.4Å; L267-I270 PolarHBondContact O-N 3.12Å; L267-I270 VanDerWaalsContact O-N 3.15Å; K268-I270 VanDerWaalsContact C-N 3.29Å; K268-I270 PolarHBondContact O-N 3.32Å; I270-E272 VanDerWaalsContact C-N 3.35Å; I270-E272 PolarHBondContact O-N 2.78Å; I270-A273 PolarHBondContact O-N 3.38Å; I270-I274 HydrophobicContact CG2-CD1 3.75Å; I270-I274 HydrophobicContact CG2-CG1 4.47Å; I270-I274 VanDerWaalsContact O-CG1 3.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 2.92Å; I270-I325 HydrophobicContact CG2-CD1 4.22Å; I270-I325 HydrophobicContact CG2-CG1 4.24Å; I270-V329 HydrophobicContact CD1-CG1 3.75Å; I270-F337 HydrophobicContact CG2-CB 3.89Å; I270-F337 HydrophobicContact CG2-CD1 3.99Å; I270-F337 HydrophobicContact CG2-CG 4.35Å
271	E	98.5	Very high	98.5	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	27%	0.267	S	S	.	.	H	α-helix	trans	-61.8	-41.4	178.9	-69.2	174.1	157	0	0	111.7	L267 K268 A273 I274 E275	L267-E271 HydrophobicContact CD1-CG 4.39Å; L267-E271 HydrophobicContact CG-CG 4.45Å; L267-E271 WeakPolarHBondContact O-CG 3.06Å; L267-E271 PolarHBondContact O-N 3.45Å; K268-E271 PolarHBondContact O-N 3.29Å; E271-A273 VanDerWaalsContact C-N 3.35Å; E271-A273 PolarHBondContact O-N 2.94Å; E271-I274 PolarHBondContact O-N 3.41Å; E271-E275 WeakPolarHBondContact O-CB 3.44Å; E271-E275 PolarHBondContact O-N 3.42Å
272	E	98.7	Very high	98.5	Very high	81 Å²	81	62.1 Å²	62.1	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-60.7	-40	174	-74.6	175.3	-173.3	0	0	112.7	K268 I270 K276	K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 IonicContact NZ-OE1 3.8Å; K268-E272 WeakPolarHBondContact O-CG 3.49Å; K268-E272 PolarHBondContact O-N 2.89Å; I270-E272 VanDerWaalsContact C-N 3.35Å; I270-E272 PolarHBondContact O-N 2.78Å; E272-K276 WeakPolarHBondContact O-CG 3.3Å; E272-K276 PolarHBondContact O-N 2.92Å
273	A	98.8	Very high	98.5	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-42.8	176.2	0	0	0	0	0	111.7	M261 Y269 I270 E271 E275 K276 L277 F337 C359	M261-A273 HydrophobicContact CE-CB 3.58Å; Y269-A273 WeakPolarHBondContact O-CB 3.48Å; Y269-A273 PolarHBondContact O-N 3.04Å; I270-A273 PolarHBondContact O-N 3.38Å; E271-A273 VanDerWaalsContact C-N 3.35Å; E271-A273 PolarHBondContact O-N 2.94Å; A273-E275 VanDerWaalsContact C-N 3.3Å; A273-E275 PolarHBondContact O-N 2.69Å; A273-K276 WeakPolarHBondContact O-CB 3.49Å; A273-K276 PolarHBondContact O-N 3.12Å; A273-K276 VanDerWaalsContact O-N 3.12Å; A273-L277 WeakPolarHBondContact O-CG 3.48Å; A273-L277 PolarHBondContact O-N 3.27Å; A273-F337 HydrophobicContact CB-CE1 4.04Å; A273-C359 HydrophobicContact CB-CB 4Å
274	I	98.7	Very high	98.5	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.077	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-39.2	177.4	-68.4	172.9	0	0	0	111.2	I270 E271 K276 L277 S278 F312 A314 I323 I325 F337	I270-I274 HydrophobicContact CG2-CD1 3.75Å; I270-I274 HydrophobicContact CG2-CG1 4.47Å; I270-I274 VanDerWaalsContact O-CG1 3.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 2.92Å; E271-I274 PolarHBondContact O-N 3.41Å; I274-K276 VanDerWaalsContact C-N 3.28Å; I274-K276 PolarHBondContact O-N 3.17Å; I274-L277 WeakPolarHBondContact O-CB 3.28Å; I274-L277 PolarHBondContact O-N 3.23Å; I274-L277 VanDerWaalsContact O-N 3.17Å; I274-S278 PolarHBondContact O-N 3.39Å; I274-F312 HydrophobicContact CG2-CE1 4.19Å; I274-F312 HydrophobicContact CG2-CZ 4.12Å; I274-A314 HydrophobicContact CG2-CB 3.59Å; I274-I323 HydrophobicContact CD1-CG2 3.72Å; I274-I323 HydrophobicContact CG1-CG2 3.86Å; I274-I325 HydrophobicContact CD1-CD1 3.75Å; I274-I325 HydrophobicContact CD1-CG1 3.73Å; I274-F337 HydrophobicContact CD1-CB 4.22Å; I274-F337 HydrophobicContact CD1-CG 4.38Å; I274-F337 HydrophobicContact CG1-CD1 4.49Å; I274-F337 HydrophobicContact CG1-CG 4.36Å
275	E	98.5	Very high	98.5	Very high	97 Å²	97	50.1 Å²	50.1	45%	0.453	23%	0.233	S	C	.	.	H	α-helix	trans	-67.3	-26.9	176.4	178.3	55.1	-160.3	0	0	113.1	E271 A273 S278 K279	E271-E275 WeakPolarHBondContact O-CB 3.44Å; E271-E275 PolarHBondContact O-N 3.42Å; A273-E275 VanDerWaalsContact C-N 3.3Å; A273-E275 PolarHBondContact O-N 2.69Å; E275-S278 PolarHBondContact O-OG 3.06Å; E275-K279 WeakPolarHBondContact OE1-CE 3.36Å; E275-K279 IonicContact OE1-NZ 2.82Å; E275-K279 PolarHBondContact OE1-NZ 2.91Å
276	K	98.7	Very high	98.5	Very high	65 Å²	65	50.2 Å²	50.2	28%	0.283	23%	0.226	S	C	.	.	H	α-helix	trans	-75.9	-39.8	169.9	-63.6	171.1	-158.1	177.4	0	111.1	E272 A273 I274 S278 K279 T358 C359 N362	E272-K276 WeakPolarHBondContact O-CG 3.3Å; E272-K276 PolarHBondContact O-N 2.92Å; A273-K276 WeakPolarHBondContact O-CB 3.49Å; A273-K276 PolarHBondContact O-N 3.12Å; A273-K276 VanDerWaalsContact O-N 3.12Å; I274-K276 VanDerWaalsContact C-N 3.28Å; I274-K276 PolarHBondContact O-N 3.17Å; K276-S278 VanDerWaalsContact C-N 3.32Å; K276-S278 PolarHBondContact O-N 3.28Å; K276-K279 PolarHBondContact O-N 3.08Å; K276-T358 HydrophobicContact CB-CG2 3.95Å; K276-T358 WeakPolarHBondContact CD-O 3.19Å; K276-C359 PolarHBondContact NZ-O 2.9Å; K276-N362 VanDerWaalsContact CE-OD1 3.25Å; K276-N362 WeakPolarHBondContact CE-OD1 3.4Å; K276-N362 PolarHBondContact NZ-OD1 3.08Å
277	L	98.7	Very high	98.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-36.7	177.1	-70.7	171.3	0	0	0	112.6	A273 I274 K279 R280 H281 H284 F312 I323 F337 L355 T358	A273-L277 WeakPolarHBondContact O-CG 3.48Å; A273-L277 PolarHBondContact O-N 3.27Å; I274-L277 WeakPolarHBondContact O-CB 3.28Å; I274-L277 PolarHBondContact O-N 3.23Å; I274-L277 VanDerWaalsContact O-N 3.17Å; L277-K279 PolarHBondContact O-N 2.93Å; L277-R280 CarbonylContact O-C 3.56Å; L277-R280 PolarHBondContact O-N 2.62Å; L277-R280 VanDerWaalsContact O-N 3.07Å; L277-H281 PolarHBondContact O-N 2.93Å; L277-H284 WeakPolarHBondContact CD2-CE1 3.48Å; L277-H284 WeakPolarHBondContact CD2-NE2 3.44Å; L277-F312 HydrophobicContact CB-CE2 3.97Å; L277-F312 HydrophobicContact CB-CZ 4Å; L277-I323 HydrophobicContact CD1-CD1 4.1Å; L277-I323 HydrophobicContact CD1-CG1 4.45Å; L277-F337 HydrophobicContact CD1-CE2 3.61Å; L277-F337 HydrophobicContact CD1-CZ 3.59Å; L277-L355 HydrophobicContact CD1-CD2 4.31Å; L277-L355 HydrophobicContact CD2-CD2 3.98Å; L277-T358 HydrophobicContact CD2-CG2 3.76Å; L277-T358 HydrophobicContact CG-CG2 4.23Å
278	S	98.2	Very high	98.5	Very high	39 Å²	39	49.7 Å²	49.7	27%	0.273	23%	0.225	S	C	.	.	H	α-helix	trans	-59.1	-34.6	179	72.9	0	0	0	0	112.3	I274 E275 K276 R280 F312	I274-S278 PolarHBondContact O-N 3.39Å; E275-S278 PolarHBondContact O-OG 3.06Å; K276-S278 VanDerWaalsContact C-N 3.32Å; K276-S278 PolarHBondContact O-N 3.28Å; S278-R280 VanDerWaalsContact C-N 3.3Å; S278-R280 PolarHBondContact O-N 3.01Å; S278-F312 VanDerWaalsContact CB-CD1 3.46Å; S278-F312 VanDerWaalsContact CB-CE1 3.44Å
279	K	98.4	Very high	98.5	Very high	143 Å²	143	44.2 Å²	44.2	62%	0.622	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.3	180	-66.3	165.3	-174.6	152.1	0	114	E275 K276 L277	E275-K279 WeakPolarHBondContact OE1-CE 3.36Å; E275-K279 IonicContact OE1-NZ 2.82Å; E275-K279 PolarHBondContact OE1-NZ 2.91Å; K276-K279 PolarHBondContact O-N 3.08Å; L277-K279 PolarHBondContact O-N 2.93Å
280	R	98.3	Very high	98.5	Very high	11 Å²	11	41.7 Å²	41.7	4%	0.042	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.6	21.3	-174.7	-69.8	-179.8	61.6	78.8	-7.2	113.2	L277 S278 Q282 Y283 H284 T358 E363 G365	L277-R280 CarbonylContact O-C 3.56Å; L277-R280 PolarHBondContact O-N 2.62Å; L277-R280 VanDerWaalsContact O-N 3.07Å; S278-R280 VanDerWaalsContact C-N 3.3Å; S278-R280 PolarHBondContact O-N 3.01Å; R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-Q282 PolarHBondContact O-N 3.29Å; R280-Y283 VanDerWaalsContact NH2-CD1 3.3Å; R280-Y283 VanDerWaalsContact NH2-CG 3.33Å; R280-Y283 WeakPolarHBondContact O-CB 3.32Å; R280-Y283 PolarHBondContact O-N 2.95Å; R280-Y283 VanDerWaalsContact O-N 3.13Å; R280-H284 PolarHBondContact O-CD2 3.43Å; R280-H284 VanDerWaalsContact O-CD2 3.29Å; R280-H284 PolarHBondContact O-N 2.55Å; R280-H284 VanDerWaalsContact O-N 3.08Å; R280-T358 HydrophobicContact CB-CG2 4.31Å; R280-T358 WeakPolarHBondContact CD-OG1 3.46Å; R280-T358 HydrophobicContact CG-CG2 4.47Å; R280-T358 PolarHBondContact NE-OG1 3.26Å; R280-E363 WeakPolarHBondContact CD-O 3.48Å; R280-E363 PolarHBondContact NE-O 2.99Å; R280-G365 PolarHBondContact NH1-O 3.4Å
281	H	98.2	Very high	98.5	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-50.9	-47.4	-175.6	-178	32.4	0	0	0	113.8	L277 H284 I285 I309 N310 F312 R341	L277-H281 PolarHBondContact O-N 2.93Å; H281-H284 PolarHBondContact O-N 3.07Å; H281-I285 PolarHBondContact O-N 2.77Å; H281-I309 PolarHBondContact NE2-O 2.86Å; H281-N310 PolarHBondContact CD2-O 2.8Å; H281-F312 HydrophobicContact CB-CB 4.05Å; H281-F312 HydrophobicContact CB-CD2 4.25Å; H281-R341 PolarHBondContact ND1-NH1 3.11Å
282	Q	97.8	Very high	98.5	Very high	94 Å²	94	43 Å²	43	44%	0.439	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-40.8	-179	-67.2	-59.7	-36.7	0	0	112.9	R280 H284 I285 R286	R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-Q282 PolarHBondContact O-N 3.29Å; Q282-H284 VanDerWaalsContact C-N 3.3Å; Q282-H284 PolarHBondContact O-N 2.92Å; Q282-I285 PolarHBondContact O-N 3.36Å; Q282-R286 PolarHBondContact O-N 2.93Å; Q282-R286 VanDerWaalsContact O-N 3.11Å
283	Y	98.6	Very high	98.4	Very high	27 Å²	27	39.5 Å²	39.5	11%	0.106	20%	0.199	C	C	.	.	H	α-helix	trans	-58.2	-44.3	172.9	171.6	-91.6	0	0	0	111.3	R280 R286 A287 A354 D366	R280-Y283 VanDerWaalsContact NH2-CD1 3.3Å; R280-Y283 VanDerWaalsContact NH2-CG 3.33Å; R280-Y283 WeakPolarHBondContact O-CB 3.32Å; R280-Y283 PolarHBondContact O-N 2.95Å; R280-Y283 VanDerWaalsContact O-N 3.13Å; Y283-R286 PolarHBondContact O-N 3.06Å; Y283-A287 PolarHBondContact O-N 3.49Å; Y283-A354 HydrophobicContact CE1-CB 3.89Å; Y283-D366 WeakPolarHBondContact CD2-O 3.48Å
284	H	98.8	Very high	98.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.5	-42.9	178.4	-80.7	-95.9	0	0	0	112.3	L277 R280 H281 Q282 R286 A287 Y288 A354 T358	L277-H284 WeakPolarHBondContact CD2-CE1 3.48Å; L277-H284 WeakPolarHBondContact CD2-NE2 3.44Å; R280-H284 PolarHBondContact O-CD2 3.43Å; R280-H284 VanDerWaalsContact O-CD2 3.29Å; R280-H284 PolarHBondContact O-N 2.55Å; R280-H284 VanDerWaalsContact O-N 3.08Å; H281-H284 PolarHBondContact O-N 3.07Å; Q282-H284 VanDerWaalsContact C-N 3.3Å; Q282-H284 PolarHBondContact O-N 2.92Å; H284-R286 VanDerWaalsContact C-N 3.27Å; H284-R286 PolarHBondContact O-N 2.78Å; H284-A287 PolarHBondContact O-N 2.86Å; H284-Y288 HydrophobicContact CB-CD2 4.41Å; H284-Y288 HydrophobicContact CB-CE1 4.21Å; H284-Y288 HydrophobicContact CB-CE2 3.95Å; H284-Y288 AromaticContact CG-CZ 4Å; H284-Y288 AromaticContact ND1-CE1 3.68Å; H284-Y288 AromaticContact ND1-CZ 3.35Å; H284-Y288 VanDerWaalsContact ND1-CZ 3.35Å; H284-Y288 PolarHBondContact ND1-OH 3.02Å; H284-Y288 VanDerWaalsContact O-CB 3.26Å; H284-Y288 WeakPolarHBondContact O-CB 3.47Å; H284-Y288 WeakPolarHBondContact O-CD1 3.35Å; H284-Y288 PolarHBondContact O-N 3.14Å; H284-Y288 VanDerWaalsContact O-N 3.11Å; H284-A354 PolarHBondContact CE1-O 3.44Å; H284-A354 VanDerWaalsContact CE1-O 3.31Å; H284-T358 VanDerWaalsContact NE2-CB 3.34Å; H284-T358 WeakPolarHBondContact NE2-CB 3.25Å; H284-T358 PolarHBondContact NE2-OG1 2.66Å
285	I	98.5	Very high	98.4	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-41.7	176.1	-69.7	-58	0	0	0	111.3	H281 Q282 A287 Y288 L300 I309 R341	H281-I285 PolarHBondContact O-N 2.77Å; Q282-I285 PolarHBondContact O-N 3.36Å; I285-A287 VanDerWaalsContact C-N 3.25Å; I285-A287 PolarHBondContact O-N 2.92Å; I285-Y288 PolarHBondContact O-N 2.89Å; I285-Y288 VanDerWaalsContact O-N 3.17Å; I285-L300 HydrophobicContact CD1-CD1 3.99Å; I285-I309 HydrophobicContact CD1-CG1 4.06Å; I285-I309 HydrophobicContact CG1-CG1 4.25Å; I285-I309 HydrophobicContact CG2-CD1 3.93Å; I285-I309 HydrophobicContact CG2-CG1 3.95Å; I285-R341 HydrophobicContact CD1-CB 4.37Å
286	R	98.4	Very high	98.3	Very high	100 Å²	100	40.9 Å²	40.9	38%	0.377	21%	0.209	S	C	.	.	H	α-helix	trans	-60.3	-33.2	174.8	-70.2	-167.8	-65.2	-106	7	113.4	Q282 Y283 H284 G292 D366	Q282-R286 PolarHBondContact O-N 2.93Å; Q282-R286 VanDerWaalsContact O-N 3.11Å; Y283-R286 PolarHBondContact O-N 3.06Å; H284-R286 VanDerWaalsContact C-N 3.27Å; H284-R286 PolarHBondContact O-N 2.78Å; R286-G292 WeakPolarHBondContact O-CA 3.4Å; R286-D366 IonicContact CZ-OD1 3.63Å; R286-D366 IonicContact NH1-OD1 3.47Å; R286-D366 PolarHBondContact NH1-OD1 3.39Å; R286-D366 PolarHBondContact NH2-O 2.98Å; R286-D366 IonicContact NH2-OD1 3.51Å; R286-D366 PolarHBondContact NH2-OD1 3.05Å
287	A	98.6	Very high	98.3	Very high	15 Å²	15	40 Å²	40	12%	0.124	21%	0.214	C	C	.	.	H	α-helix	trans	-84	-11.4	-180	0	0	0	0	0	113.8	Y283 H284 I285 S350 A354	Y283-A287 PolarHBondContact O-N 3.49Å; H284-A287 PolarHBondContact O-N 2.86Å; I285-A287 VanDerWaalsContact C-N 3.25Å; I285-A287 PolarHBondContact O-N 2.92Å; A287-S350 PolarHBondContact O-OG 3.24Å; A287-A354 HydrophobicContact CB-CB 3.99Å
288	Y	98.8	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-99.7	2.7	-163.5	-80.3	10.7	0	0	0	114.9	H284 I285 D339 R341 P342 S343 C346 V351 A354	H284-Y288 HydrophobicContact CB-CD2 4.41Å; H284-Y288 HydrophobicContact CB-CE1 4.21Å; H284-Y288 HydrophobicContact CB-CE2 3.95Å; H284-Y288 AromaticContact CG-CZ 4Å; H284-Y288 AromaticContact ND1-CE1 3.68Å; H284-Y288 AromaticContact ND1-CZ 3.35Å; H284-Y288 VanDerWaalsContact ND1-CZ 3.35Å; H284-Y288 PolarHBondContact ND1-OH 3.02Å; H284-Y288 VanDerWaalsContact O-CB 3.26Å; H284-Y288 WeakPolarHBondContact O-CB 3.47Å; H284-Y288 WeakPolarHBondContact O-CD1 3.35Å; H284-Y288 PolarHBondContact O-N 3.14Å; H284-Y288 VanDerWaalsContact O-N 3.11Å; I285-Y288 PolarHBondContact O-N 2.89Å; I285-Y288 VanDerWaalsContact O-N 3.17Å; Y288-D339 WeakPolarHBondContact CE2-OD2 3.45Å; Y288-D339 PolarHBondContact OH-OD2 3.3Å; Y288-R341 HydrophobicContact CD2-CB 3.6Å; Y288-R341 HydrophobicContact CE2-CB 3.7Å; Y288-P342 HydrophobicContact CD1-CG 4.4Å; Y288-P342 HydrophobicContact CD2-CB 4.31Å; Y288-P342 HydrophobicContact CD2-CG 3.82Å; Y288-P342 HydrophobicContact CE1-CG 4.41Å; Y288-P342 HydrophobicContact CE2-CG 3.8Å; Y288-P342 HydrophobicContact CG-CB 4.28Å; Y288-P342 HydrophobicContact CG-CG 4.11Å; Y288-S343 VanDerWaalsContact O-CB 3.27Å; Y288-S343 WeakPolarHBondContact O-CB 3.41Å; Y288-S343 PolarHBondContact O-N 2.85Å; Y288-S343 VanDerWaalsContact O-N 3.07Å; Y288-C346 VanDerWaalsContact O-CB 3.28Å; Y288-C346 WeakPolarHBondContact O-CB 3.37Å; Y288-V351 HydrophobicContact CD1-CB 4.37Å; Y288-V351 HydrophobicContact CD1-CG1 4.32Å; Y288-V351 HydrophobicContact CD1-CG2 3.82Å; Y288-V351 HydrophobicContact CE1-CB 4.23Å; Y288-V351 HydrophobicContact CE1-CG1 3.85Å; Y288-V351 HydrophobicContact CE1-CG2 4.17Å; Y288-A354 HydrophobicContact CE1-CB 4.46Å
289	D	98.7	Very high	98.3	Very high	5 Å²	5	43 Å²	43	3%	0.027	22%	0.219	C	C	.	.	S	Bend	trans	-152	157.3	157.4	67.6	74.5	0	0	0	110.3	K291 G292 G293 D295 N296	D289-K291 PolarHBondContact O-N 2.57Å; D289-K291 VanDerWaalsContact O-N 3.07Å; D289-K291 VanDerWaalsContact OD1-CA 3.23Å; D289-K291 WeakPolarHBondContact OD1-CA 3.28Å; D289-K291 WeakPolarHBondContact OD1-CB 3.24Å; D289-K291 PolarHBondContact OD1-N 2.91Å; D289-G292 PolarHBondContact O-N 3.16Å; D289-G292 VanDerWaalsContact O-N 3.16Å; D289-G292 PolarHBondContact OD1-N 3.45Å; D289-G292 VanDerWaalsContact OD1-N 3.14Å; D289-G293 VanDerWaalsContact CG-N 3.33Å; D289-G293 PolarHBondContact OD1-N 2.94Å; D289-G293 VanDerWaalsContact OD1-N 3.11Å; D289-G293 WeakPolarHBondContact OD2-CA 3.21Å; D289-G293 PolarHBondContact OD2-N 2.89Å; D289-D295 HydrophobicContact CB-CB 4.29Å; D289-N296 VanDerWaalsContact OD2-CB 3.23Å; D289-N296 WeakPolarHBondContact OD2-CB 3.3Å; D289-N296 PolarHBondContact OD2-N 3.07Å
290	P	98.4	Very high	98.2	Very high	53 Å²	53	36.3 Å²	36.3	34%	0.344	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-10.3	-177.2	-26.7	40.1	0	0	0	115.2	E38 N345	E38-P290 HydrophobicContact CG-CB 4.13Å; E38-P290 HydrophobicContact CG-CG 3.68Å; P290-N345 WeakPolarHBondContact CD-O 2.92Å
291	K	98.4	Very high	98.1	Very high	100 Å²	100	38.3 Å²	38.3	44%	0.435	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	21.4	177.6	-57.3	-162.3	-170.7	92.7	0	112.8	E38 D289 G293 L294 D295	E38-K291 IonicContact OE1-NZ 3.65Å; D289-K291 PolarHBondContact O-N 2.57Å; D289-K291 VanDerWaalsContact O-N 3.07Å; D289-K291 VanDerWaalsContact OD1-CA 3.23Å; D289-K291 WeakPolarHBondContact OD1-CA 3.28Å; D289-K291 WeakPolarHBondContact OD1-CB 3.24Å; D289-K291 PolarHBondContact OD1-N 2.91Å; K291-G293 VanDerWaalsContact C-N 3.34Å; K291-G293 PolarHBondContact O-N 2.93Å; K291-L294 HydrophobicContact CB-CB 4.06Å; K291-L294 WeakPolarHBondContact O-CG 3.43Å; K291-L294 PolarHBondContact O-N 3.21Å; K291-D295 WeakPolarHBondContact CD-OD2 3.33Å; K291-D295 WeakPolarHBondContact CG-OD2 3.45Å; K291-D295 VanDerWaalsContact NZ-CG 3.34Å; K291-D295 IonicContact NZ-OD1 3.57Å; K291-D295 PolarHBondContact NZ-OD1 2.92Å; K291-D295 IonicContact NZ-OD2 3.49Å; K291-D295 PolarHBondContact NZ-OD2 2.98Å
292	G	98	Very high	97.9	Very high	39 Å²	39	39.8 Å²	39.8	40%	0.402	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	23.6	170.1	0	0	0	0	0	115	R286 D289	R286-G292 WeakPolarHBondContact O-CA 3.4Å; D289-G292 PolarHBondContact O-N 3.16Å; D289-G292 VanDerWaalsContact O-N 3.16Å; D289-G292 PolarHBondContact OD1-N 3.45Å; D289-G292 VanDerWaalsContact OD1-N 3.14Å
293	G	98	Very high	97.5	Very high	7 Å²	7	42.3 Å²	42.3	7%	0.072	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	110.7	-14.2	-179.2	0	0	0	0	0	113.8	D289 K291 N296 A297	D289-G293 VanDerWaalsContact CG-N 3.33Å; D289-G293 PolarHBondContact OD1-N 2.94Å; D289-G293 VanDerWaalsContact OD1-N 3.11Å; D289-G293 WeakPolarHBondContact OD2-CA 3.21Å; D289-G293 PolarHBondContact OD2-N 2.89Å; K291-G293 VanDerWaalsContact C-N 3.34Å; K291-G293 PolarHBondContact O-N 2.93Å; G293-N296 PolarHBondContact O-N 2.87Å; G293-A297 PolarHBondContact O-N 3.08Å
294	L	98.1	Very high	97	Very high	130 Å²	130	44 Å²	44	68%	0.681	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67	-38.6	-173.6	-69	174.9	0	0	0	112.5	K291	K291-L294 HydrophobicContact CB-CB 4.06Å; K291-L294 WeakPolarHBondContact O-CG 3.43Å; K291-L294 PolarHBondContact O-N 3.21Å
295	D	98.2	Very high	96.4	Very high	13 Å²	13	48.6 Å²	48.6	7%	0.07	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-45.1	176.6	-78.5	-37.7	0	0	0	110.7	P240 D289 K291 A297 R298 N345	P240-D295 HydrophobicContact CG-CB 3.83Å; P240-D295 WeakPolarHBondContact CG-O 3.28Å; D289-D295 HydrophobicContact CB-CB 4.29Å; K291-D295 WeakPolarHBondContact CD-OD2 3.33Å; K291-D295 WeakPolarHBondContact CG-OD2 3.45Å; K291-D295 VanDerWaalsContact NZ-CG 3.34Å; K291-D295 IonicContact NZ-OD1 3.57Å; K291-D295 PolarHBondContact NZ-OD1 2.92Å; K291-D295 IonicContact NZ-OD2 3.49Å; K291-D295 PolarHBondContact NZ-OD2 2.98Å; D295-A297 PolarHBondContact O-N 3Å; D295-R298 WeakPolarHBondContact O-CB 3.16Å; D295-R298 PolarHBondContact O-N 3.33Å; D295-R298 VanDerWaalsContact O-N 3.17Å; D295-R298 IonicContact OD1-CZ 4Å; D295-R298 IonicContact OD1-NH2 3.05Å; D295-R298 PolarHBondContact OD1-NH2 3.02Å; D295-N345 PolarHBondContact OD2-ND2 2.76Å
296	N	97.6	Very high	96	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-68	-23	-176	-153.8	14	0	0	0	113.1	D289 G293 R298 R299 L300 I309 R341	D289-N296 VanDerWaalsContact OD2-CB 3.23Å; D289-N296 WeakPolarHBondContact OD2-CB 3.3Å; D289-N296 PolarHBondContact OD2-N 3.07Å; G293-N296 PolarHBondContact O-N 2.87Å; N296-R298 PolarHBondContact O-N 3.07Å; N296-R299 PolarHBondContact O-N 3.48Å; N296-R299 VanDerWaalsContact OD1-CZ 3.29Å; N296-R299 PolarHBondContact OD1-NE 3.11Å; N296-R299 PolarHBondContact OD1-NH2 3.31Å; N296-L300 WeakPolarHBondContact ND2-CD1 3.22Å; N296-L300 PolarHBondContact O-N 3.15Å; N296-I309 HydrophobicContact CB-CD1 4.46Å; N296-R341 PolarHBondContact ND2-O 3.17Å
297	A	97.6	Very high	95.7	Very high	47 Å²	47	44.7 Å²	44.7	39%	0.388	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-57.9	-27.1	173.6	0	0	0	0	0	113.2	G293 D295 R299 I309	G293-A297 PolarHBondContact O-N 3.08Å; D295-A297 PolarHBondContact O-N 3Å; A297-R299 VanDerWaalsContact C-N 3.29Å; A297-I309 VanDerWaalsContact CA-CD1 3.49Å; A297-I309 HydrophobicContact CB-CD1 3.86Å
298	R	98.1	Very high	95.6	Very high	91 Å²	91	46.5 Å²	46.5	34%	0.343	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-74.6	-20.4	175.4	-61.8	-179.8	-71.8	118.4	-7.3	113	D239 K241 D295 N296	D239-R298 IonicContact OD1-CZ 3.5Å; D239-R298 IonicContact OD1-NH1 2.72Å; D239-R298 PolarHBondContact OD1-NH1 3Å; D239-R298 IonicContact OD1-NH2 3.37Å; D239-R298 PolarHBondContact OD1-NH2 3.16Å; D239-R298 IonicContact OD2-CZ 3.44Å; D239-R298 IonicContact OD2-NH1 3.3Å; D239-R298 PolarHBondContact OD2-NH1 3.35Å; D239-R298 IonicContact OD2-NH2 2.72Å; D239-R298 PolarHBondContact OD2-NH2 3.41Å; K241-R298 HydrophobicContact CB-CB 3.75Å; K241-R298 HydrophobicContact CG-CB 4.26Å; K241-R298 WeakPolarHBondContact CG-O 3.31Å; K241-R298 PolarHBondContact O-NH1 3.26Å; D295-R298 WeakPolarHBondContact O-CB 3.16Å; D295-R298 PolarHBondContact O-N 3.33Å; D295-R298 VanDerWaalsContact O-N 3.17Å; D295-R298 IonicContact OD1-CZ 4Å; D295-R298 IonicContact OD1-NH2 3.05Å; D295-R298 PolarHBondContact OD1-NH2 3.02Å; N296-R298 PolarHBondContact O-N 3.07Å
299	R	98.2	Very high	95.5	Very high	10 Å²	10	47.8 Å²	47.8	4%	0.038	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-53.6	-177.3	-178.4	-177.4	73	94.8	2	112.5	P240 A250 N296 A297 T301 T306 R340 R341 P342	P240-R299 HydrophobicContact CB-CB 3.98Å; A250-R299 WeakPolarHBondContact O-CD 3.24Å; N296-R299 PolarHBondContact O-N 3.48Å; N296-R299 VanDerWaalsContact OD1-CZ 3.29Å; N296-R299 PolarHBondContact OD1-NE 3.11Å; N296-R299 PolarHBondContact OD1-NH2 3.31Å; A297-R299 VanDerWaalsContact C-N 3.29Å; R299-T301 VanDerWaalsContact C-N 3.33Å; R299-T301 PolarHBondContact O-N 3.38Å; R299-T306 HydrophobicContact CG-CG2 4.26Å; R299-T306 PolarHBondContact O-OG1 3.11Å; R299-R340 PolarHBondContact NH1-O 3.23Å; R299-R340 PolarHBondContact NH2-O 3.18Å; R299-R341 VanDerWaalsContact NH2-C 3.33Å; R299-R341 PolarHBondContact NH2-O 3.37Å; R299-P342 PolarHBondContact NH2-O 3.14Å; R299-P342 VanDerWaalsContact NH2-O 3.15Å
300	L	97.6	Very high	95.4	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	29%	0.289	C	S	.	.			trans	-78.2	76.1	-173.5	-69.4	-177.2	0	0	0	112.1	I285 N296 T306 S307 I309 R341	I285-L300 HydrophobicContact CD1-CD1 3.99Å; N296-L300 WeakPolarHBondContact ND2-CD1 3.22Å; N296-L300 PolarHBondContact O-N 3.15Å; L300-T306 HydrophobicContact CD2-CG2 4.48Å; L300-S307 CarbonylContact C-O 3.13Å; L300-S307 VanDerWaalsContact CA-O 3.3Å; L300-S307 WeakPolarHBondContact CA-O 3.5Å; L300-I309 HydrophobicContact CB-CB 3.84Å; L300-I309 HydrophobicContact CB-CG1 4.42Å; L300-I309 HydrophobicContact CD1-CB 4.49Å; L300-I309 HydrophobicContact CD1-CG1 4.32Å; L300-I309 PolarHBondContact O-N 3.33Å; L300-R341 HydrophobicContact CD1-CB 4.43Å
301	T	96.4	Very high	95.3	Very high	53 Å²	53	55 Å²	55	33%	0.325	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-107.3	-10.4	-172.7	58.6	0	0	0	0	113.7	R299 F303 T306 S307	R299-T301 VanDerWaalsContact C-N 3.33Å; R299-T301 PolarHBondContact O-N 3.38Å; T301-F303 VanDerWaalsContact C-N 3.27Å; T301-F303 PolarHBondContact OG1-N 3.2Å; T301-T306 PolarHBondContact N-OG1 2.94Å; T301-S307 PolarHBondContact N-O 3.42Å
302	G	92.6	Very high	95.2	Very high	41 Å²	41	52.7 Å²	52.7	42%	0.423	29%	0.289	S	S	.	.	S	Bend	trans	87.1	-10	-168.8	0	0	0	0	0	113.9	T306 S307	G302-T306 CarbonylContact C-O 3.52Å; G302-T306 VanDerWaalsContact CA-O 3.25Å; G302-T306 WeakPolarHBondContact CA-O 3.48Å; G302-T306 PolarHBondContact N-OG1 2.81Å; G302-S307 PolarHBondContact N-O 3.31Å
303	F	89.4	Confident	95.2	Very high	148 Å²	148	52.9 Å²	52.9	65%	0.649	29%	0.285	S	S	*	.			trans	-100.3	166.6	173.5	-58.5	-69.9	0	0	0	111	T301 E305 T306	T301-F303 VanDerWaalsContact C-N 3.27Å; T301-F303 PolarHBondContact OG1-N 3.2Å; F303-E305 PolarHBondContact O-N 3.08Å; F303-T306 PolarHBondContact O-N 3.13Å; F303-T306 PolarHBondContact O-OG1 3.12Å
304	H	88.6	Confident	95.2	Very high	61 Å²	61	54.9 Å²	54.9	28%	0.282	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	47.5	177.4	-52.1	-68.7	0	0	0	114.2	T306	H304-T306 PolarHBondContact O-N 2.89Å
305	E	86.7	Confident	95	Very high	98 Å²	98	49.6 Å²	49.6	46%	0.458	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	27.2	178.7	-58.9	-179.3	-141.8	0	0	114.3	F303 R319	F303-E305 PolarHBondContact O-N 3.08Å; E305-R319 VanDerWaalsContact O-O 3.08Å; E305-R319 WeakPolarHBondContact OE2-CD 3.36Å; E305-R319 IonicContact OE2-CZ 2.89Å; E305-R319 IonicContact OE2-NH1 3.73Å; E305-R319 PolarHBondContact OE2-NH1 3.37Å; E305-R319 VanDerWaalsContact OE2-NH1 3.08Å
306	T	89.2	Confident	94.9	Very high	18 Å²	18	53 Å²	53	11%	0.11	30%	0.298	C	S	.	.			trans	-107.4	155.7	173.3	66.3	0	0	0	0	112	R299 L300 T301 G302 F303 H304	R299-T306 HydrophobicContact CG-CG2 4.26Å; R299-T306 PolarHBondContact O-OG1 3.11Å; L300-T306 HydrophobicContact CD2-CG2 4.48Å; T301-T306 PolarHBondContact N-OG1 2.94Å; G302-T306 CarbonylContact C-O 3.52Å; G302-T306 VanDerWaalsContact CA-O 3.25Å; G302-T306 WeakPolarHBondContact CA-O 3.48Å; G302-T306 PolarHBondContact N-OG1 2.81Å; F303-T306 PolarHBondContact O-N 3.13Å; F303-T306 PolarHBondContact O-OG1 3.12Å; H304-T306 PolarHBondContact O-N 2.89Å
307	S	93.3	Very high	94.6	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.049	31%	0.308	C	S	.	.			trans	-75.1	165.8	164	72.5	0	0	0	0	110.7	L300 T301 G302 S320	L300-S307 CarbonylContact C-O 3.13Å; L300-S307 VanDerWaalsContact CA-O 3.3Å; L300-S307 WeakPolarHBondContact CA-O 3.5Å; T301-S307 PolarHBondContact N-O 3.42Å; G302-S307 PolarHBondContact N-O 3.31Å; S307-S320 VanDerWaalsContact CA-O 3.22Å; S307-S320 WeakPolarHBondContact CA-O 3.4Å; S307-S320 VanDerWaalsContact CB-O 3.32Å; S307-S320 WeakPolarHBondContact CB-O 3.26Å; S307-S320 PolarHBondContact N-O 3.15Å
308	N	95.3	Very high	94.3	Very high	53 Å²	53	55 Å²	55	28%	0.283	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-73.4	147.2	164.1	-164.6	-77	0	0	0	109.5	N310	N308-N310 PolarHBondContact O-N 3.22Å; N308-N310 WeakPolarHBondContact OD1-CB 3.4Å; N308-N310 PolarHBondContact OD1-N 3.48Å; N308-N310 PolarHBondContact OD1-ND2 2.99Å
309	I	97	Very high	93.8	Very high	26 Å²	26	57 Å²	57	13%	0.133	31%	0.313	C	S	.	.	S	Bend	trans	-68.5	-21.5	178.2	-164.6	162.1	0	0	0	113.7	H281 I285 N296 A297 L300	H281-I309 PolarHBondContact NE2-O 2.86Å; I285-I309 HydrophobicContact CD1-CG1 4.06Å; I285-I309 HydrophobicContact CG1-CG1 4.25Å; I285-I309 HydrophobicContact CG2-CD1 3.93Å; I285-I309 HydrophobicContact CG2-CG1 3.95Å; N296-I309 HydrophobicContact CB-CD1 4.46Å; A297-I309 VanDerWaalsContact CA-CD1 3.49Å; A297-I309 HydrophobicContact CB-CD1 3.86Å; L300-I309 HydrophobicContact CB-CB 3.84Å; L300-I309 HydrophobicContact CB-CG1 4.42Å; L300-I309 HydrophobicContact CD1-CB 4.49Å; L300-I309 HydrophobicContact CD1-CG1 4.32Å; L300-I309 PolarHBondContact O-N 3.33Å
310	N	96.3	Very high	93.5	Very high	106 Å²	106	59.3 Å²	59.3	57%	0.567	33%	0.331	S	S	*	.	S	Bend	trans	-90.6	-28.3	-175	-59.1	-60.5	0	0	0	113.2	H281 N308	H281-N310 PolarHBondContact CD2-O 2.8Å; N308-N310 PolarHBondContact O-N 3.22Å; N308-N310 WeakPolarHBondContact OD1-CB 3.4Å; N308-N310 PolarHBondContact OD1-N 3.48Å; N308-N310 PolarHBondContact OD1-ND2 2.99Å
311	D	96.1	Very high	93.4	Very high	105 Å²	105	59.2 Å²	59.2	56%	0.561	33%	0.331	S	S	*	.			trans	-109.3	126.8	-169.9	-58	-51.8	0	0	0	111.2	S322	D311-S322 PolarHBondContact O-OG 3.31Å
312	F	98	Very high	93.4	Very high	50 Å²	50	56.7 Å²	56.7	22%	0.219	32%	0.315	C	S	.	.			trans	-81.8	134.2	169.8	-174.2	-89.7	0	0	0	110.8	I274 L277 S278 H281 A314 I323	I274-F312 HydrophobicContact CG2-CE1 4.19Å; I274-F312 HydrophobicContact CG2-CZ 4.12Å; L277-F312 HydrophobicContact CB-CE2 3.97Å; L277-F312 HydrophobicContact CB-CZ 4Å; S278-F312 VanDerWaalsContact CB-CD1 3.46Å; S278-F312 VanDerWaalsContact CB-CE1 3.44Å; H281-F312 HydrophobicContact CB-CB 4.05Å; H281-F312 HydrophobicContact CB-CD2 4.25Å; F312-A314 HydrophobicContact CE1-CB 4.22Å; F312-I323 HydrophobicContact CE2-CD1 4.3Å; F312-I323 HydrophobicContact CE2-CG1 3.64Å; F312-I323 HydrophobicContact CZ-CB 4.44Å; F312-I323 HydrophobicContact CZ-CG1 3.49Å; F312-I323 VanDerWaalsContact CZ-CG1 3.49Å
313	S	97.5	Very high	93.7	Very high	44 Å²	44	54.8 Å²	54.8	31%	0.308	30%	0.295	S	S	.	.			trans	-143.4	150.3	173.1	53.2	0	0	0	0	111.5	A321 S322 I323	S313-A321 WeakPolarHBondContact OG-CA 3.09Å; S313-S322 PolarHBondContact N-OG 3.2Å; S313-S322 WeakPolarHBondContact O-CA 3.23Å; S313-S322 WeakPolarHBondContact O-CB 3.27Å; S313-S322 PolarHBondContact O-N 2.82Å; S313-S322 PolarHBondContact OG-N 3.31Å; S313-S322 VanDerWaalsContact OG-N 3.12Å; S313-S322 PolarHBondContact OG-OG 3.45Å; S313-I323 PolarHBondContact O-N 3.07Å
314	A	97	Very high	94.1	Very high	48 Å²	48	50.4 Å²	50.4	40%	0.397	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.4	175.2	0	0	0	0	0	111.1	I274 F312 I323	I274-A314 HydrophobicContact CG2-CB 3.59Å; F312-A314 HydrophobicContact CE1-CB 4.22Å; A314-I323 VanDerWaalsContact CA-O 3.23Å; A314-I323 WeakPolarHBondContact CA-O 3.4Å; A314-I323 HydrophobicContact CB-CB 4.09Å
315	G	95.5	Very high	94.6	Very high	19 Å²	19	48 Å²	48	20%	0.196	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	157.1	175.4	0	0	0	0	0	115.2	A317 I323 I325	G315-A317 PolarHBondContact O-N 3.45Å; G315-I323 PolarHBondContact N-O 3.04Å; G315-I323 VanDerWaalsContact N-O 3.15Å; G315-I325 PolarHBondContact O-N 2.92Å
316	V	94.7	Very high	95.2	Very high	84 Å²	84	43.7 Å²	43.7	51%	0.509	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	121.3	174.3	-178	0	0	0	0	109.5	N318 I325	V316-N318 PolarHBondContact O-N 2.79Å; V316-N318 VanDerWaalsContact O-N 3.11Å; V316-I325 CarbonylContact C-O 3.51Å; V316-I325 WeakPolarHBondContact CA-O 3.08Å; V316-I325 HydrophobicContact CG2-CB 4.37Å
317	A	91.2	Very high	95.5	Very high	25 Å²	25	50.1 Å²	50.1	21%	0.207	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	54	25.1	-178.9	0	0	0	0	0	114.7	G315 I325 R327	G315-A317 PolarHBondContact O-N 3.45Å; A317-I325 PolarHBondContact N-O 2.94Å; A317-R327 HydrophobicContact CB-CB 4.01Å
318	N	92.2	Very high	95.7	Very high	65 Å²	65	53.3 Å²	53.3	35%	0.348	29%	0.286	S	S	.	.			trans	-89.5	110.8	178.5	-172.3	-4.3	0	0	0	110.6	V316 S320 A321	V316-N318 PolarHBondContact O-N 2.79Å; V316-N318 VanDerWaalsContact O-N 3.11Å; N318-S320 PolarHBondContact OD1-N 3.1Å; N318-S320 PolarHBondContact OD1-OG 3.42Å; N318-S320 VanDerWaalsContact OD1-OG 3.07Å; N318-A321 HydrophobicContact CB-CB 3.92Å
319	R	87.6	Confident	95.8	Very high	133 Å²	133	51 Å²	51	50%	0.502	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.9	-177.1	-65.6	-169.9	179.5	-168.2	-3.3	114.1	E305 R340	E305-R319 VanDerWaalsContact O-O 3.08Å; E305-R319 WeakPolarHBondContact OE2-CD 3.36Å; E305-R319 IonicContact OE2-CZ 2.89Å; E305-R319 IonicContact OE2-NH1 3.73Å; E305-R319 PolarHBondContact OE2-NH1 3.37Å; E305-R319 VanDerWaalsContact OE2-NH1 3.08Å; R319-R340 PolarHBondContact O-NE 3.05Å
320	S	91	Very high	95.8	Very high	59 Å²	59	50.9 Å²	50.9	41%	0.413	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1.1	179.1	57.9	0	0	0	0	113.4	S307 N318	S307-S320 VanDerWaalsContact CA-O 3.22Å; S307-S320 WeakPolarHBondContact CA-O 3.4Å; S307-S320 VanDerWaalsContact CB-O 3.32Å; S307-S320 WeakPolarHBondContact CB-O 3.26Å; S307-S320 PolarHBondContact N-O 3.15Å; N318-S320 PolarHBondContact OD1-N 3.1Å; N318-S320 PolarHBondContact OD1-OG 3.42Å; N318-S320 VanDerWaalsContact OD1-OG 3.07Å
321	A	94.9	Very high	95.8	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.008	28%	0.282	C	S	.	.	S	Bend	trans	-77.8	154.8	176.2	0	0	0	0	0	111.5	S313 N318 I323	S313-A321 WeakPolarHBondContact OG-CA 3.09Å; N318-A321 HydrophobicContact CB-CB 3.92Å; A321-I323 VanDerWaalsContact C-N 3.34Å; A321-I323 WeakPolarHBondContact CB-O 3.3Å
322	S	97.7	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	S	Bend	trans	-62.2	-44.5	171	-47.8	0	0	0	0	111.3	D311 S313 R340	D311-S322 PolarHBondContact O-OG 3.31Å; S313-S322 PolarHBondContact N-OG 3.2Å; S313-S322 WeakPolarHBondContact O-CA 3.23Å; S313-S322 WeakPolarHBondContact O-CB 3.27Å; S313-S322 PolarHBondContact O-N 2.82Å; S313-S322 PolarHBondContact OG-N 3.31Å; S313-S322 VanDerWaalsContact OG-N 3.12Å; S313-S322 PolarHBondContact OG-OG 3.45Å; S322-R340 PolarHBondContact O-N 2.81Å
323	I	98.5	Very high	95.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.1	174.2	-52.1	-59.8	0	0	0	110.3	I274 L277 F312 S313 A314 G315 A321 F337 E338 D339	I274-I323 HydrophobicContact CD1-CG2 3.72Å; I274-I323 HydrophobicContact CG1-CG2 3.86Å; L277-I323 HydrophobicContact CD1-CD1 4.1Å; L277-I323 HydrophobicContact CD1-CG1 4.45Å; F312-I323 HydrophobicContact CE2-CD1 4.3Å; F312-I323 HydrophobicContact CE2-CG1 3.64Å; F312-I323 HydrophobicContact CZ-CB 4.44Å; F312-I323 HydrophobicContact CZ-CG1 3.49Å; F312-I323 VanDerWaalsContact CZ-CG1 3.49Å; S313-I323 PolarHBondContact O-N 3.07Å; A314-I323 VanDerWaalsContact CA-O 3.23Å; A314-I323 WeakPolarHBondContact CA-O 3.4Å; A314-I323 HydrophobicContact CB-CB 4.09Å; G315-I323 PolarHBondContact N-O 3.04Å; G315-I323 VanDerWaalsContact N-O 3.15Å; A321-I323 VanDerWaalsContact C-N 3.34Å; A321-I323 WeakPolarHBondContact CB-O 3.3Å; I323-F337 HydrophobicContact CD1-CD2 4.48Å; I323-F337 HydrophobicContact CD1-CE2 4.35Å; I323-F337 HydrophobicContact CG2-CB 4.07Å; I323-F337 HydrophobicContact CG2-CD2 3.53Å; I323-F337 HydrophobicContact CG2-CE2 4.28Å; I323-F337 HydrophobicContact CG2-CG 4.1Å; I323-E338 WeakPolarHBondContact CA-O 3.38Å; I323-D339 HydrophobicContact CD1-CB 3.7Å; I323-D339 VanDerWaalsContact CD1-CG 3.42Å
324	R	98.4	Very high	96	Very high	56 Å²	56	57.3 Å²	57.3	21%	0.211	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	128.7	175.4	172.2	167.9	157	-114.4	1.7	110.1	E338 R340	R324-E338 HydrophobicContact CB-CB 4.32Å; R324-E338 WeakPolarHBondContact CB-OE2 3.36Å; R324-E338 WeakPolarHBondContact CD-OE2 3.23Å; R324-E338 IonicContact CZ-OE2 2.82Å; R324-E338 PolarHBondContact N-O 3.45Å; R324-E338 IonicContact NE-OE2 3.08Å; R324-E338 VanDerWaalsContact NH1-CD 3.27Å; R324-E338 IonicContact NH1-OE1 2.71Å; R324-E338 PolarHBondContact NH1-OE1 3.36Å; R324-E338 IonicContact NH1-OE2 3.98Å; R324-E338 PolarHBondContact NH1-OE2 2.83Å; R324-E338 PolarHBondContact O-N 3.47Å; R324-R340 HydrophobicContact CB-CG 4.49Å
325	I	98.5	Very high	96	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.056	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	119.8	165.9	-58.3	173.6	0	0	0	106.8	L267 I270 I274 G315 V316 A317 V329	L267-I325 HydrophobicContact CD1-CD1 4.31Å; L267-I325 HydrophobicContact CD1-CG2 4.18Å; I270-I325 HydrophobicContact CG2-CD1 4.22Å; I270-I325 HydrophobicContact CG2-CG1 4.24Å; I274-I325 HydrophobicContact CD1-CD1 3.75Å; I274-I325 HydrophobicContact CD1-CG1 3.73Å; G315-I325 PolarHBondContact O-N 2.92Å; V316-I325 CarbonylContact C-O 3.51Å; V316-I325 WeakPolarHBondContact CA-O 3.08Å; V316-I325 HydrophobicContact CG2-CB 4.37Å; A317-I325 PolarHBondContact N-O 2.94Å; I325-V329 HydrophobicContact CG2-CB 4.14Å; I325-V329 HydrophobicContact CG2-CG1 3.78Å
326	P	98.3	Very high	96.2	Very high	8 Å²	8	59.3 Å²	59.3	5%	0.052	29%	0.291	C	S	.	.			trans	-55.3	147.4	177.9	-24.4	32.4	0	0	0	112.2	T328 V329 G330 Y336	P326-T328 VanDerWaalsContact C-N 3.3Å; P326-T328 PolarHBondContact O-N 2.94Å; P326-V329 HydrophobicContact CB-CB 4.14Å; P326-V329 HydrophobicContact CB-CG2 3.85Å; P326-V329 HydrophobicContact CG-CB 4.37Å; P326-V329 HydrophobicContact CG-CG2 3.87Å; P326-V329 WeakPolarHBondContact O-CB 3.43Å; P326-V329 PolarHBondContact O-N 3.28Å; P326-V329 VanDerWaalsContact O-N 3.16Å; P326-G330 PolarHBondContact O-N 3.08Å; P326-Y336 WeakPolarHBondContact CD-O 3.44Å; P326-Y336 HydrophobicContact CG-CD2 4.12Å; P326-Y336 HydrophobicContact CG-CE2 3.52Å
327	R	97.5	Very high	96.4	Very high	153 Å²	153	55.3 Å²	55.3	58%	0.577	27%	0.267	S	S	*	.	H	α-helix	trans	-57.3	-45	-177.4	-170.6	177.3	-61.4	-74.5	-0.9	111.8	A317 G330 Q331	A317-R327 HydrophobicContact CB-CB 4.01Å; R327-G330 PolarHBondContact O-N 3.07Å; R327-Q331 WeakPolarHBondContact O-CG 3.26Å; R327-Q331 PolarHBondContact O-N 3.2Å; R327-Q331 VanDerWaalsContact O-N 3.1Å
328	T	96.6	Very high	96.7	Very high	74 Å²	74	54.4 Å²	54.4	45%	0.454	26%	0.259	S	S	.	.	H	α-helix	trans	-65.9	-38.7	179.4	50.1	0	0	0	0	111.7	P326 G330 Q331 E332	P326-T328 VanDerWaalsContact C-N 3.3Å; P326-T328 PolarHBondContact O-N 2.94Å; T328-G330 VanDerWaalsContact C-N 3.34Å; T328-G330 PolarHBondContact O-N 3.12Å; T328-Q331 PolarHBondContact O-N 3.01Å; T328-Q331 VanDerWaalsContact O-N 3.14Å; T328-E332 WeakPolarHBondContact O-CB 3.47Å; T328-E332 WeakPolarHBondContact O-CG 3.48Å; T328-E332 PolarHBondContact O-N 3.15Å
329	V	97.8	Very high	97.1	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-42.8	173.5	170.6	0	0	0	0	111.5	I270 I325 P326 Q331 K333 K334 Y336	I270-V329 HydrophobicContact CD1-CG1 3.75Å; I325-V329 HydrophobicContact CG2-CB 4.14Å; I325-V329 HydrophobicContact CG2-CG1 3.78Å; P326-V329 HydrophobicContact CB-CB 4.14Å; P326-V329 HydrophobicContact CB-CG2 3.85Å; P326-V329 HydrophobicContact CG-CB 4.37Å; P326-V329 HydrophobicContact CG-CG2 3.87Å; P326-V329 WeakPolarHBondContact O-CB 3.43Å; P326-V329 PolarHBondContact O-N 3.28Å; P326-V329 VanDerWaalsContact O-N 3.16Å; V329-Q331 VanDerWaalsContact C-N 3.31Å; V329-Q331 PolarHBondContact O-N 3.11Å; V329-K333 VanDerWaalsContact O-CA 3.31Å; V329-K333 WeakPolarHBondContact O-CA 3.46Å; V329-K333 PolarHBondContact O-N 3.12Å; V329-K334 WeakPolarHBondContact CG1-O 3.27Å; V329-K334 PolarHBondContact O-N 2.86Å; V329-Y336 HydrophobicContact CG2-CD1 4.33Å; V329-Y336 HydrophobicContact CG2-CE1 4.37Å
330	G	96.1	Very high	97.6	Very high	22 Å²	22	46.3 Å²	46.3	23%	0.227	22%	0.223	C	C	.	.	H	α-helix	trans	-64.3	-34.6	175.4	0	0	0	0	0	113.2	P326 R327 T328	P326-G330 PolarHBondContact O-N 3.08Å; R327-G330 PolarHBondContact O-N 3.07Å; T328-G330 VanDerWaalsContact C-N 3.34Å; T328-G330 PolarHBondContact O-N 3.12Å
331	Q	96.7	Very high	98	Very high	138 Å²	138	43.5 Å²	43.5	65%	0.645	20%	0.204	S	C	*	.	H	α-helix	trans	-74.5	-46.7	178.2	-71.7	172.2	-29.7	0	0	112.4	R327 T328 V329 K333	R327-Q331 WeakPolarHBondContact O-CG 3.26Å; R327-Q331 PolarHBondContact O-N 3.2Å; R327-Q331 VanDerWaalsContact O-N 3.1Å; T328-Q331 PolarHBondContact O-N 3.01Å; T328-Q331 VanDerWaalsContact O-N 3.14Å; V329-Q331 VanDerWaalsContact C-N 3.31Å; V329-Q331 PolarHBondContact O-N 3.11Å; Q331-K333 VanDerWaalsContact C-N 3.28Å
332	E	97.9	Very high	98.1	Very high	118 Å²	118	43.5 Å²	43.5	55%	0.551	20%	0.203	S	C	*	.	H	α-helix	trans	-82.4	-7.9	-178.4	-64.8	178	-174.1	0	0	112.9	T328 K334	T328-E332 WeakPolarHBondContact O-CB 3.47Å; T328-E332 WeakPolarHBondContact O-CG 3.48Å; T328-E332 PolarHBondContact O-N 3.15Å; E332-K334 HydrophobicContact CB-CG 4.43Å; E332-K334 PolarHBondContact O-N 3.24Å
333	K	98.3	Very high	98.2	Very high	116 Å²	116	43.5 Å²	43.5	50%	0.504	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	28.8	179.6	-56.5	-175.6	179.8	-178.2	0	114.3	N265 G266 L267 V329 Q331	N265-K333 CarbonylContact C-O 3.57Å; N265-K333 VanDerWaalsContact C-O 3.24Å; N265-K333 WeakPolarHBondContact CA-O 3.48Å; G266-K333 PolarHBondContact N-O 3.47Å; L267-K333 HydrophobicContact CB-CB 4.14Å; L267-K333 WeakPolarHBondContact CB-O 3.38Å; L267-K333 HydrophobicContact CD2-CB 4.35Å; L267-K333 HydrophobicContact CD2-CG 4.26Å; L267-K333 PolarHBondContact N-O 3.43Å; V329-K333 VanDerWaalsContact O-CA 3.31Å; V329-K333 WeakPolarHBondContact O-CA 3.46Å; V329-K333 PolarHBondContact O-N 3.12Å; Q331-K333 VanDerWaalsContact C-N 3.28Å
334	K	98.6	Very high	98.2	Very high	68 Å²	68	43.5 Å²	43.5	30%	0.296	20%	0.203	S	C	.	.			trans	-158.5	158.8	175.5	65.6	-169.6	175	-167.6	0	111.3	E263 E264 V329 E332	E263-K334 WeakPolarHBondContact O-CB 3.41Å; E264-K334 IonicContact OE2-NZ 3.65Å; E264-K334 PolarHBondContact OE2-NZ 2.78Å; V329-K334 WeakPolarHBondContact CG1-O 3.27Å; V329-K334 PolarHBondContact O-N 2.86Å; E332-K334 HydrophobicContact CB-CG 4.43Å; E332-K334 PolarHBondContact O-N 3.24Å
335	G	98.6	Very high	98.2	Very high	15 Å²	15	41 Å²	41	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	137.3	-115.2	175.6	0	0	0	0	0	113.2	S257 M261	S257-G335 WeakPolarHBondContact CB-O 3.31Å; M261-G335 CarbonylContact C-O 3.58Å; M261-G335 PolarHBondContact O-N 3.11Å
336	Y	98.8	Very high	98.2	Very high	95 Å²	95	40.5 Å²	40.5	37%	0.373	19%	0.191	S	C	.	.			trans	-146.8	166.9	-172.6	63.5	-88.7	0	0	0	111.2	N255 F256 P326 V329	N255-Y336 HydrophobicContact CB-CD2 3.86Å; N255-Y336 HydrophobicContact CB-CE2 4.11Å; N255-Y336 WeakPolarHBondContact OD1-CE2 3.14Å; F256-Y336 WeakPolarHBondContact O-CA 3.38Å; F256-Y336 VanDerWaalsContact O-CB 3.29Å; F256-Y336 WeakPolarHBondContact O-CB 3.2Å; P326-Y336 WeakPolarHBondContact CD-O 3.44Å; P326-Y336 HydrophobicContact CG-CD2 4.12Å; P326-Y336 HydrophobicContact CG-CE2 3.52Å; V329-Y336 HydrophobicContact CG2-CD1 4.33Å; V329-Y336 HydrophobicContact CG2-CE1 4.37Å
337	F	98.8	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	161.1	164.1	68.4	-92.6	0	0	0	110.8	N255 F256 M261 I270 A273 I274 L277 I323 L355	N255-F337 CarbonylContact C-O 3.56Å; N255-F337 WeakPolarHBondContact CA-O 3.4Å; F256-F337 HydrophobicContact CB-CE1 4.4Å; F256-F337 HydrophobicContact CB-CZ 4.24Å; F256-F337 AromaticContact CD1-CE1 3.56Å; F256-F337 HydrophobicContact CD1-CE1 3.56Å; F256-F337 AromaticContact CD1-CZ 3.53Å; F256-F337 HydrophobicContact CD1-CZ 3.53Å; F256-F337 HydrophobicContact CE1-CE1 4.31Å; F256-F337 HydrophobicContact CE1-CZ 4.41Å; F256-F337 HydrophobicContact CG-CE1 4.41Å; F256-F337 HydrophobicContact CG-CZ 4.38Å; F256-F337 PolarHBondContact N-O 3.2Å; F256-F337 PolarHBondContact O-N 2.71Å; M261-F337 HydrophobicContact CE-CE1 4.36Å; I270-F337 HydrophobicContact CG2-CB 3.89Å; I270-F337 HydrophobicContact CG2-CD1 3.99Å; I270-F337 HydrophobicContact CG2-CG 4.35Å; A273-F337 HydrophobicContact CB-CE1 4.04Å; I274-F337 HydrophobicContact CD1-CB 4.22Å; I274-F337 HydrophobicContact CD1-CG 4.38Å; I274-F337 HydrophobicContact CG1-CD1 4.49Å; I274-F337 HydrophobicContact CG1-CG 4.36Å; L277-F337 HydrophobicContact CD1-CE2 3.61Å; L277-F337 HydrophobicContact CD1-CZ 3.59Å; I323-F337 HydrophobicContact CD1-CD2 4.48Å; I323-F337 HydrophobicContact CD1-CE2 4.35Å; I323-F337 HydrophobicContact CG2-CB 4.07Å; I323-F337 HydrophobicContact CG2-CD2 3.53Å; I323-F337 HydrophobicContact CG2-CE2 4.28Å; I323-F337 HydrophobicContact CG2-CG 4.1Å; F337-L355 HydrophobicContact CE2-CD2 4.49Å; F337-L355 HydrophobicContact CZ-CD2 4.46Å
338	E	98.8	Very high	98.3	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.028	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.2	-179.5	-179.2	-167	-105.2	0	0	109.3	H253 N255 I323 R324 R340	H253-E338 HydrophobicContact CB-CG 4.05Å; N255-E338 WeakPolarHBondContact OD1-CB 3.4Å; I323-E338 WeakPolarHBondContact CA-O 3.38Å; R324-E338 HydrophobicContact CB-CB 4.32Å; R324-E338 WeakPolarHBondContact CB-OE2 3.36Å; R324-E338 WeakPolarHBondContact CD-OE2 3.23Å; R324-E338 IonicContact CZ-OE2 2.82Å; R324-E338 PolarHBondContact N-O 3.45Å; R324-E338 IonicContact NE-OE2 3.08Å; R324-E338 VanDerWaalsContact NH1-CD 3.27Å; R324-E338 IonicContact NH1-OE1 2.71Å; R324-E338 PolarHBondContact NH1-OE1 3.36Å; R324-E338 IonicContact NH1-OE2 3.98Å; R324-E338 PolarHBondContact NH1-OE2 2.83Å; R324-E338 PolarHBondContact O-N 3.47Å; E338-R340 HydrophobicContact CG-CG 3.92Å; E338-R340 IonicContact OE1-NH1 3.78Å; E338-R340 PolarHBondContact OE1-NH1 3.44Å; E338-R340 WeakPolarHBondContact OE2-CD 3.42Å; E338-R340 VanDerWaalsContact OE2-CG 3.23Å; E338-R340 WeakPolarHBondContact OE2-CG 3.16Å; E338-R340 IonicContact OE2-CZ 3.76Å; E338-R340 IonicContact OE2-NE 3.66Å; E338-R340 IonicContact OE2-NH1 3.66Å; E338-R340 PolarHBondContact OE2-NH1 3.16Å
339	D	98.8	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.4	168.7	-168.1	-18.6	0	0	0	109.8	H253 T254 Y288 I323 R341 P342	H253-D339 WeakPolarHBondContact CA-O 3.5Å; T254-D339 PolarHBondContact N-O 2.72Å; T254-D339 PolarHBondContact O-N 2.9Å; Y288-D339 WeakPolarHBondContact CE2-OD2 3.45Å; Y288-D339 PolarHBondContact OH-OD2 3.3Å; I323-D339 HydrophobicContact CD1-CB 3.7Å; I323-D339 VanDerWaalsContact CD1-CG 3.42Å; D339-R341 VanDerWaalsContact C-N 3.33Å; D339-R341 VanDerWaalsContact OD1-CB 3.27Å; D339-R341 WeakPolarHBondContact OD1-CB 3.23Å; D339-R341 WeakPolarHBondContact OD1-CG 3.2Å; D339-R341 IonicContact OD1-CZ 3.93Å; D339-R341 PolarHBondContact OD1-N 3.44Å; D339-R341 VanDerWaalsContact OD1-N 3.1Å; D339-R341 IonicContact OD1-NE 2.73Å; D339-R341 PolarHBondContact OD1-NE 3.02Å; D339-R341 IonicContact OD1-NH2 3.81Å; D339-R341 IonicContact OD2-CZ 3.38Å; D339-R341 IonicContact OD2-NE 2.81Å; D339-R341 PolarHBondContact OD2-NE 3.37Å; D339-R341 IonicContact OD2-NH2 2.93Å; D339-R341 PolarHBondContact OD2-NH2 2.72Å; D339-P342 VanDerWaalsContact O-CD 3.31Å; D339-P342 WeakPolarHBondContact O-CD 3.41Å
340	R	98.5	Very high	98.5	Very high	28 Å²	28	30.8 Å²	30.8	11%	0.106	15%	0.149	C	C	.	.			trans	-90.5	0.2	-174.5	-58.7	179.5	70.3	84.4	4.2	113.1	H253 R299 R319 S322 R324 E338	H253-R340 VanDerWaalsContact CD2-CA 3.48Å; H253-R340 WeakPolarHBondContact CD2-CA 3.32Å; H253-R340 PolarHBondContact CE1-NH2 2.68Å; R299-R340 PolarHBondContact NH1-O 3.23Å; R299-R340 PolarHBondContact NH2-O 3.18Å; R319-R340 PolarHBondContact O-NE 3.05Å; S322-R340 PolarHBondContact O-N 2.81Å; R324-R340 HydrophobicContact CB-CG 4.49Å; E338-R340 HydrophobicContact CG-CG 3.92Å; E338-R340 IonicContact OE1-NH1 3.78Å; E338-R340 PolarHBondContact OE1-NH1 3.44Å; E338-R340 WeakPolarHBondContact OE2-CD 3.42Å; E338-R340 VanDerWaalsContact OE2-CG 3.23Å; E338-R340 WeakPolarHBondContact OE2-CG 3.16Å; E338-R340 IonicContact OE2-CZ 3.76Å; E338-R340 IonicContact OE2-NE 3.66Å; E338-R340 IonicContact OE2-NH1 3.66Å; E338-R340 PolarHBondContact OE2-NH1 3.16Å
341	R	98.8	Very high	98.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.139	C	C	.	.			trans	-81.8	-27.3	-174.2	-59	173.2	-74.6	178.5	11.1	115.4	H281 I285 Y288 N296 R299 L300 D339 S343	H281-R341 PolarHBondContact ND1-NH1 3.11Å; I285-R341 HydrophobicContact CD1-CB 4.37Å; Y288-R341 HydrophobicContact CD2-CB 3.6Å; Y288-R341 HydrophobicContact CE2-CB 3.7Å; N296-R341 PolarHBondContact ND2-O 3.17Å; R299-R341 VanDerWaalsContact NH2-C 3.33Å; R299-R341 PolarHBondContact NH2-O 3.37Å; L300-R341 HydrophobicContact CD1-CB 4.43Å; D339-R341 VanDerWaalsContact C-N 3.33Å; D339-R341 VanDerWaalsContact OD1-CB 3.27Å; D339-R341 WeakPolarHBondContact OD1-CB 3.23Å; D339-R341 WeakPolarHBondContact OD1-CG 3.2Å; D339-R341 IonicContact OD1-CZ 3.93Å; D339-R341 PolarHBondContact OD1-N 3.44Å; D339-R341 VanDerWaalsContact OD1-N 3.1Å; D339-R341 IonicContact OD1-NE 2.73Å; D339-R341 PolarHBondContact OD1-NE 3.02Å; D339-R341 IonicContact OD1-NH2 3.81Å; D339-R341 IonicContact OD2-CZ 3.38Å; D339-R341 IonicContact OD2-NE 2.81Å; D339-R341 PolarHBondContact OD2-NE 3.37Å; D339-R341 IonicContact OD2-NH2 2.93Å; D339-R341 PolarHBondContact OD2-NH2 2.72Å; R341-S343 PolarHBondContact O-N 3.25Å
342	P	98.8	Very high	98.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.108	C	C	.	.			trans	-61.5	139.2	-179.6	-23.2	33.5	0	0	0	113	C252 Y288 R299 D339 C346 V351	C252-P342 HydrophobicContact CB-CB 4.28Å; C252-P342 PolarHBondContact N-O 2.74Å; C252-P342 WeakPolarHBondContact O-CB 3.45Å; Y288-P342 HydrophobicContact CD1-CG 4.4Å; Y288-P342 HydrophobicContact CD2-CB 4.31Å; Y288-P342 HydrophobicContact CD2-CG 3.82Å; Y288-P342 HydrophobicContact CE1-CG 4.41Å; Y288-P342 HydrophobicContact CE2-CG 3.8Å; Y288-P342 HydrophobicContact CG-CB 4.28Å; Y288-P342 HydrophobicContact CG-CG 4.11Å; R299-P342 PolarHBondContact NH2-O 3.14Å; R299-P342 VanDerWaalsContact NH2-O 3.15Å; D339-P342 VanDerWaalsContact O-CD 3.31Å; D339-P342 WeakPolarHBondContact O-CD 3.41Å; P342-C346 HydrophobicContact CB-CB 4.42Å; P342-V351 HydrophobicContact CB-CG1 4.37Å; P342-V351 HydrophobicContact CB-CG2 4.08Å; P342-V351 HydrophobicContact CG-CG1 3.8Å; P342-V351 HydrophobicContact CG-CG2 4.34Å
343	S	98.8	Very high	98.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.086	C	C	.	.	B	Isolated β-bridge	trans	-72.1	151.5	174	178.2	0	0	0	0	111	P240 C252 Y288 R341 N345 C346	P240-S343 VanDerWaalsContact CB-OG 3.23Å; P240-S343 WeakPolarHBondContact CB-OG 3.38Å; P240-S343 VanDerWaalsContact CG-OG 3.3Å; P240-S343 WeakPolarHBondContact CG-OG 3.44Å; C252-S343 WeakPolarHBondContact CB-O 3.32Å; Y288-S343 VanDerWaalsContact O-CB 3.27Å; Y288-S343 WeakPolarHBondContact O-CB 3.41Å; Y288-S343 PolarHBondContact O-N 2.85Å; Y288-S343 VanDerWaalsContact O-N 3.07Å; R341-S343 PolarHBondContact O-N 3.25Å; S343-N345 VanDerWaalsContact CB-OD1 3.24Å; S343-N345 WeakPolarHBondContact CB-OD1 3.23Å; S343-N345 PolarHBondContact O-N 2.87Å; S343-N345 VanDerWaalsContact O-N 3.14Å; S343-N345 PolarHBondContact OG-N 2.87Å; S343-N345 PolarHBondContact OG-OD1 2.93Å; S343-C346 VanDerWaalsContact O-CB 3.3Å; S343-C346 WeakPolarHBondContact O-CB 3.19Å; S343-C346 PolarHBondContact O-N 3.18Å; S343-C346 PolarHBondContact O-SG 2.94Å
344	A	98.8	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.4	173.3	0	0	0	0	0	113.7	Q135 E136 R222 F238 A250	Q135-A344 PolarHBondContact NE2-O 2.9Å; Q135-A344 PolarHBondContact OE1-O 3.15Å; E136-A344 WeakPolarHBondContact O-CB 3.39Å; R222-A344 PolarHBondContact NH2-O 3.11Å; R222-A344 VanDerWaalsContact NH2-O 3.12Å; F238-A344 HydrophobicContact CB-CB 4.45Å; F238-A344 CarbonylContact O-C 3.49Å; F238-A344 WeakPolarHBondContact O-CB 3.42Å; A250-A344 HydrophobicContact CB-CB 3.51Å; A250-A344 VanDerWaalsContact O-CB 3.26Å; A250-A344 WeakPolarHBondContact O-CB 3.42Å; A250-A344 PolarHBondContact O-N 3.4Å
345	N	98.9	Very high	98.8	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.021	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	7	178.4	72.9	-21.4	0	0	0	114.7	E38 F238 P290 D295 S343	E38-N345 WeakPolarHBondContact OE2-CB 3.34Å; E38-N345 PolarHBondContact OE2-ND2 3.31Å; F238-N345 HydrophobicContact CB-CB 4.1Å; F238-N345 WeakPolarHBondContact O-CB 3.38Å; F238-N345 PolarHBondContact O-N 2.81Å; P290-N345 WeakPolarHBondContact CD-O 2.92Å; D295-N345 PolarHBondContact OD2-ND2 2.76Å; S343-N345 VanDerWaalsContact CB-OD1 3.24Å; S343-N345 WeakPolarHBondContact CB-OD1 3.23Å; S343-N345 PolarHBondContact O-N 2.87Å; S343-N345 VanDerWaalsContact O-N 3.14Å; S343-N345 PolarHBondContact OG-N 2.87Å; S343-N345 PolarHBondContact OG-OD1 2.93Å
346	C	98.9	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.041	C	C	.	.			trans	-59.7	150.6	-177.9	69.8	0	0	0	0	112.4	R222 Y288 P342 S343 P348 V351	R222-C346 VanDerWaalsContact CZ-O 3.3Å; R222-C346 PolarHBondContact NH1-O 2.66Å; R222-C346 PolarHBondContact NH2-O 3.45Å; Y288-C346 VanDerWaalsContact O-CB 3.28Å; Y288-C346 WeakPolarHBondContact O-CB 3.37Å; P342-C346 HydrophobicContact CB-CB 4.42Å; S343-C346 VanDerWaalsContact O-CB 3.3Å; S343-C346 WeakPolarHBondContact O-CB 3.19Å; S343-C346 PolarHBondContact O-N 3.18Å; S343-C346 PolarHBondContact O-SG 2.94Å; C346-P348 WeakPolarHBondContact O-CD 3.38Å; C346-V351 HydrophobicContact CB-CG2 3.72Å
347	D	98.9	Very high	98.8	Very high	7 Å²	7	5.1 Å²	5.1	4%	0.037	3%	0.026	C	C	.	.			trans	-76.7	116.1	162.5	-173.1	-19.7	0	0	0	109.2	L113 W219 F349 S350 V351	L113-D347 HydrophobicContact CD1-CB 4.23Å; W219-D347 HydrophobicContact CZ2-CB 4.06Å; W219-D347 PolarHBondContact NE1-OD1 2.91Å; D347-F349 PolarHBondContact O-N 3Å; D347-F349 WeakPolarHBondContact OD1-CB 3.05Å; D347-F349 VanDerWaalsContact OD1-CD2 3.25Å; D347-F349 WeakPolarHBondContact OD1-CD2 3.28Å; D347-F349 PolarHBondContact OD1-N 3.47Å; D347-S350 WeakPolarHBondContact O-CB 3.3Å; D347-S350 PolarHBondContact O-N 3.35Å; D347-V351 PolarHBondContact O-N 3.42Å; D347-V351 VanDerWaalsContact O-N 3.08Å
348	P	98.9	Very high	98.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-58	-27.8	176.4	24.8	-37	0	0	0	113.9	M133 L218 W219 C346 T352	M133-P348 HydrophobicContact CE-CB 4Å; M133-P348 HydrophobicContact SD-CB 3.66Å; L218-P348 HydrophobicContact CB-CB 4.39Å; L218-P348 HydrophobicContact CB-CG 4.18Å; L218-P348 HydrophobicContact CD2-CB 3.92Å; L218-P348 HydrophobicContact CD2-CG 4.05Å; L218-P348 HydrophobicContact CG-CG 4.39Å; W219-P348 HydrophobicContact CG-CG 4.28Å; C346-P348 WeakPolarHBondContact O-CD 3.38Å; P348-T352 WeakPolarHBondContact O-CB 3.44Å; P348-T352 VanDerWaalsContact O-CG2 3.3Å; P348-T352 WeakPolarHBondContact O-CG2 3.22Å; P348-T352 PolarHBondContact O-N 3.03Å; P348-T352 PolarHBondContact O-OG1 3.47Å
349	F	98.9	Very high	98.8	Very high	3 Å²	3	5 Å²	5	1%	0.013	3%	0.026	C	C	.	.	H	α-helix	trans	-65.3	-43.6	173.9	-61.8	-56.5	0	0	0	111.1	I33 L113 R114 C117 I212 G215 D216 W219 D347 T352 E353	I33-F349 HydrophobicContact CD1-CD2 4.46Å; I33-F349 HydrophobicContact CD1-CE2 4.24Å; L113-F349 HydrophobicContact CB-CB 4.09Å; R114-F349 HydrophobicContact CB-CD1 4.16Å; R114-F349 HydrophobicContact CB-CD2 3.88Å; R114-F349 HydrophobicContact CB-CE1 4.04Å; R114-F349 HydrophobicContact CB-CE2 3.75Å; R114-F349 HydrophobicContact CB-CG 4.09Å; R114-F349 HydrophobicContact CB-CZ 3.85Å; R114-F349 HydrophobicContact CG-CD1 4.09Å; R114-F349 HydrophobicContact CG-CE1 3.64Å; R114-F349 HydrophobicContact CG-CE2 4.12Å; R114-F349 HydrophobicContact CG-CZ 3.67Å; C117-F349 HydrophobicContact CB-CB 4.06Å; C117-F349 HydrophobicContact CB-CD1 4.5Å; C117-F349 PolarHBondContact SG-O 3.4Å; C117-F349 VanDerWaalsContact SG-O 3.39Å; I212-F349 HydrophobicContact CD1-CD1 3.75Å; I212-F349 HydrophobicContact CD1-CE1 3.82Å; I212-F349 HydrophobicContact CG1-CE1 4.3Å; G215-F349 VanDerWaalsContact CA-CE1 3.45Å; D216-F349 WeakPolarHBondContact OD1-CZ 3.2Å; W219-F349 AromaticContact CD1-CD2 3.75Å; W219-F349 AromaticContact CD1-CE2 3.25Å; W219-F349 AromaticContact CD1-CZ 3.85Å; W219-F349 HydrophobicContact CG-CE2 4.4Å; W219-F349 AromaticContact NE1-CD2 3.5Å; W219-F349 AromaticContact NE1-CE2 3.48Å; D347-F349 PolarHBondContact O-N 3Å; D347-F349 WeakPolarHBondContact OD1-CB 3.05Å; D347-F349 VanDerWaalsContact OD1-CD2 3.25Å; D347-F349 WeakPolarHBondContact OD1-CD2 3.28Å; D347-F349 PolarHBondContact OD1-N 3.47Å; F349-T352 PolarHBondContact O-OG1 2.79Å; F349-E353 WeakPolarHBondContact O-CB 3.45Å; F349-E353 PolarHBondContact O-N 2.68Å
350	S	98.9	Very high	98.8	Very high	26 Å²	26	6.1 Å²	6.1	18%	0.182	3%	0.031	C	C	.	.	H	α-helix	trans	-61.2	-48.9	175.5	-178	0	0	0	0	111.7	A287 D347 A354	A287-S350 PolarHBondContact O-OG 3.24Å; D347-S350 WeakPolarHBondContact O-CB 3.3Å; D347-S350 PolarHBondContact O-N 3.35Å; S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3.23Å
351	V	98.9	Very high	98.8	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-62.9	-49.9	-177.6	175.3	0	0	0	0	111.2	M133 T254 Y288 P342 C346 D347 A354 L355	M133-V351 HydrophobicContact CE-CB 3.99Å; M133-V351 HydrophobicContact CE-CG1 3.82Å; T254-V351 HydrophobicContact CG2-CG1 4.25Å; Y288-V351 HydrophobicContact CD1-CB 4.37Å; Y288-V351 HydrophobicContact CD1-CG1 4.32Å; Y288-V351 HydrophobicContact CD1-CG2 3.82Å; Y288-V351 HydrophobicContact CE1-CB 4.23Å; Y288-V351 HydrophobicContact CE1-CG1 3.85Å; Y288-V351 HydrophobicContact CE1-CG2 4.17Å; P342-V351 HydrophobicContact CB-CG1 4.37Å; P342-V351 HydrophobicContact CB-CG2 4.08Å; P342-V351 HydrophobicContact CG-CG1 3.8Å; P342-V351 HydrophobicContact CG-CG2 4.34Å; C346-V351 HydrophobicContact CB-CG2 3.72Å; D347-V351 PolarHBondContact O-N 3.42Å; D347-V351 VanDerWaalsContact O-N 3.08Å; V351-A354 PolarHBondContact O-N 3.38Å; V351-L355 HydrophobicContact CG1-CD1 4.36Å; V351-L355 WeakPolarHBondContact O-CG 3.44Å; V351-L355 PolarHBondContact O-N 2.97Å; V351-L355 VanDerWaalsContact O-N 3.08Å
352	T	98.9	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.8	-40	-178.1	55.4	0	0	0	0	111.8	M121 F131 M133 M214 P348 F349 L355 I356	M121-T352 VanDerWaalsContact CE-CB 3.46Å; F131-T352 HydrophobicContact CB-CG2 4.42Å; F131-T352 HydrophobicContact CD1-CG2 3.75Å; F131-T352 HydrophobicContact CD2-CG2 4Å; F131-T352 HydrophobicContact CE1-CG2 3.88Å; F131-T352 HydrophobicContact CE2-CG2 4.13Å; F131-T352 HydrophobicContact CG-CG2 3.79Å; F131-T352 HydrophobicContact CZ-CG2 4.07Å; M133-T352 HydrophobicContact CE-CG2 3.58Å; M214-T352 HydrophobicContact CB-CG2 4.19Å; M214-T352 HydrophobicContact CG-CG2 3.95Å; P348-T352 WeakPolarHBondContact O-CB 3.44Å; P348-T352 VanDerWaalsContact O-CG2 3.3Å; P348-T352 WeakPolarHBondContact O-CG2 3.22Å; P348-T352 PolarHBondContact O-N 3.03Å; P348-T352 PolarHBondContact O-OG1 3.47Å; F349-T352 PolarHBondContact O-OG1 2.79Å; T352-L355 PolarHBondContact O-N 3.19Å; T352-I356 WeakPolarHBondContact O-CG1 3.22Å; T352-I356 PolarHBondContact O-N 3.4Å; T352-I356 VanDerWaalsContact O-N 3.12Å
353	E	98.9	Very high	98.7	Very high	18 Å²	18	11.4 Å²	11.4	8%	0.084	6%	0.061	C	C	.	.	H	α-helix	trans	-59.6	-48	174.1	-172.8	179.1	151.5	0	0	111.1	T116 C117 I120 F349 L355 I356 R357	T116-E353 WeakPolarHBondContact CB-OE2 3.46Å; T116-E353 PolarHBondContact OG1-OE2 2.8Å; C117-E353 WeakPolarHBondContact CA-OE2 3.32Å; C117-E353 HydrophobicContact CB-CB 4.04Å; C117-E353 HydrophobicContact CB-CG 4.48Å; C117-E353 WeakPolarHBondContact CB-OE2 3.49Å; C117-E353 PolarHBondContact N-OE2 3.47Å; I120-E353 HydrophobicContact CB-CG 4.16Å; I120-E353 HydrophobicContact CG1-CG 3.99Å; I120-E353 HydrophobicContact CG2-CG 4.22Å; F349-E353 WeakPolarHBondContact O-CB 3.45Å; F349-E353 PolarHBondContact O-N 2.68Å; E353-L355 VanDerWaalsContact C-N 3.33Å; E353-L355 PolarHBondContact O-N 2.84Å; E353-I356 PolarHBondContact O-N 3.5Å; E353-R357 HydrophobicContact CG-CG 4.33Å; E353-R357 WeakPolarHBondContact O-CG 3.45Å; E353-R357 PolarHBondContact O-N 3.31Å; E353-R357 IonicContact OE1-CZ 3.81Å; E353-R357 IonicContact OE1-NE 3.98Å; E353-R357 PolarHBondContact OE1-NE 3.07Å; E353-R357 IonicContact OE1-NH2 2.9Å; E353-R357 PolarHBondContact OE1-NH2 3.27Å
354	A	98.9	Very high	98.7	Very high	2 Å²	2	16 Å²	16	2%	0.017	9%	0.089	C	C	.	.	H	α-helix	trans	-59.3	-41.5	179.1	0	0	0	0	0	112.5	Y283 H284 A287 Y288 S350 V351 T358	Y283-A354 HydrophobicContact CE1-CB 3.89Å; H284-A354 PolarHBondContact CE1-O 3.44Å; H284-A354 VanDerWaalsContact CE1-O 3.31Å; A287-A354 HydrophobicContact CB-CB 3.99Å; Y288-A354 HydrophobicContact CE1-CB 4.46Å; S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3.23Å; V351-A354 PolarHBondContact O-N 3.38Å; A354-T358 PolarHBondContact O-N 3.27Å; A354-T358 VanDerWaalsContact O-N 3.13Å; A354-T358 PolarHBondContact O-OG1 2.63Å
355	L	98.9	Very high	98.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-45.8	174.9	-76.3	171.6	0	0	0	111.9	F131 T254 F256 L277 F337 V351 T352 E353 C359	F131-L355 HydrophobicContact CD1-CD1 4.38Å; F131-L355 HydrophobicContact CE1-CB 4.32Å; F131-L355 HydrophobicContact CE1-CD1 3.98Å; T254-L355 HydrophobicContact CG2-CD1 3.72Å; F256-L355 HydrophobicContact CB-CD1 4.3Å; L277-L355 HydrophobicContact CD1-CD2 4.31Å; L277-L355 HydrophobicContact CD2-CD2 3.98Å; F337-L355 HydrophobicContact CE2-CD2 4.49Å; F337-L355 HydrophobicContact CZ-CD2 4.46Å; V351-L355 HydrophobicContact CG1-CD1 4.36Å; V351-L355 WeakPolarHBondContact O-CG 3.44Å; V351-L355 PolarHBondContact O-N 2.97Å; V351-L355 VanDerWaalsContact O-N 3.08Å; T352-L355 PolarHBondContact O-N 3.19Å; E353-L355 VanDerWaalsContact C-N 3.33Å; E353-L355 PolarHBondContact O-N 2.84Å; L355-C359 WeakPolarHBondContact O-CB 3.24Å; L355-C359 PolarHBondContact O-N 3.25Å; L355-C359 PolarHBondContact O-SG 3.4Å
356	I	98.9	Very high	98.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.2	-47.8	179	-63.9	-54.9	0	0	0	111.5	I120 M121 V124 P129 F131 F256 T352 E353 T358 C359 L360 L361	I120-I356 HydrophobicContact CG2-CB 3.89Å; I120-I356 HydrophobicContact CG2-CG2 3.48Å; I120-I356 VanDerWaalsContact CG2-CG2 3.48Å; M121-I356 HydrophobicContact CE-CG1 3.68Å; M121-I356 HydrophobicContact SD-CD1 4.32Å; M121-I356 HydrophobicContact SD-CG1 3.74Å; V124-I356 HydrophobicContact CB-CG2 4.37Å; V124-I356 HydrophobicContact CG1-CG2 3.88Å; V124-I356 HydrophobicContact CG2-CD1 4.21Å; V124-I356 HydrophobicContact CG2-CG1 4.45Å; V124-I356 HydrophobicContact CG2-CG2 3.62Å; P129-I356 HydrophobicContact CB-CD1 3.71Å; P129-I356 HydrophobicContact CG-CD1 4.22Å; F131-I356 HydrophobicContact CE2-CD1 4.43Å; F131-I356 HydrophobicContact CZ-CD1 3.73Å; F131-I356 HydrophobicContact CZ-CG1 4Å; F256-I356 HydrophobicContact CE2-CD1 3.89Å; F256-I356 HydrophobicContact CZ-CD1 3.88Å; T352-I356 WeakPolarHBondContact O-CG1 3.22Å; T352-I356 PolarHBondContact O-N 3.4Å; T352-I356 VanDerWaalsContact O-N 3.12Å; E353-I356 PolarHBondContact O-N 3.5Å; I356-T358 VanDerWaalsContact C-N 3.32Å; I356-T358 PolarHBondContact O-N 3.22Å; I356-C359 PolarHBondContact O-N 2.61Å; I356-L360 HydrophobicContact CD1-CD1 3.71Å; I356-L360 HydrophobicContact CD1-CG 4.33Å; I356-L360 HydrophobicContact CG2-CB 4.39Å; I356-L360 HydrophobicContact CG2-CD1 4.47Å; I356-L360 WeakPolarHBondContact O-CA 2.95Å; I356-L360 WeakPolarHBondContact O-CB 3.4Å; I356-L360 PolarHBondContact O-N 3.25Å; I356-L361 HydrophobicContact CG2-CG 4.39Å; I356-L361 PolarHBondContact O-N 3.31Å; I356-L361 VanDerWaalsContact O-N 3.13Å
357	R	98.7	Very high	98.2	Very high	14 Å²	14	30 Å²	30	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-56.2	-47.2	-179.3	-72.2	-175.9	176.4	-89.1	7.9	111.9	I120 E353 L361 N362 E363 F369	I120-R357 HydrophobicContact CG2-CG 4.25Å; E353-R357 HydrophobicContact CG-CG 4.33Å; E353-R357 WeakPolarHBondContact O-CG 3.45Å; E353-R357 PolarHBondContact O-N 3.31Å; E353-R357 IonicContact OE1-CZ 3.81Å; E353-R357 IonicContact OE1-NE 3.98Å; E353-R357 PolarHBondContact OE1-NE 3.07Å; E353-R357 IonicContact OE1-NH2 2.9Å; E353-R357 PolarHBondContact OE1-NH2 3.27Å; R357-L361 HydrophobicContact CG-CD1 4.48Å; R357-L361 CarbonylContact O-C 3.57Å; R357-L361 WeakPolarHBondContact O-CB 3.35Å; R357-L361 PolarHBondContact O-N 3.29Å; R357-N362 PolarHBondContact O-N 2.94Å; R357-E363 HydrophobicContact CB-CB 4.49Å; R357-E363 HydrophobicContact CB-CG 4.28Å; R357-E363 VanDerWaalsContact CG-OE1 3.28Å; R357-E363 WeakPolarHBondContact CG-OE1 3.49Å; R357-E363 IonicContact CZ-OE1 3.27Å; R357-E363 IonicContact NH1-OE1 2.68Å; R357-E363 PolarHBondContact NH1-OE1 3.17Å; R357-E363 IonicContact NH1-OE2 3.35Å; R357-E363 PolarHBondContact NH1-OE2 3.36Å; R357-E363 PolarHBondContact O-N 3.37Å; R357-E363 VanDerWaalsContact O-N 3.09Å; R357-F369 PolarHBondContact NH1-O 3.17Å
358	T	98.8	Very high	98.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-73.2	-50.3	179.4	-64.1	0	0	0	0	112.3	K276 L277 R280 H284 A354 I356	K276-T358 HydrophobicContact CB-CG2 3.95Å; K276-T358 WeakPolarHBondContact CD-O 3.19Å; L277-T358 HydrophobicContact CD2-CG2 3.76Å; L277-T358 HydrophobicContact CG-CG2 4.23Å; R280-T358 HydrophobicContact CB-CG2 4.31Å; R280-T358 WeakPolarHBondContact CD-OG1 3.46Å; R280-T358 HydrophobicContact CG-CG2 4.47Å; R280-T358 PolarHBondContact NE-OG1 3.26Å; H284-T358 VanDerWaalsContact NE2-CB 3.34Å; H284-T358 WeakPolarHBondContact NE2-CB 3.25Å; H284-T358 PolarHBondContact NE2-OG1 2.66Å; A354-T358 PolarHBondContact O-N 3.27Å; A354-T358 VanDerWaalsContact O-N 3.13Å; A354-T358 PolarHBondContact O-OG1 2.63Å; I356-T358 VanDerWaalsContact C-N 3.32Å; I356-T358 PolarHBondContact O-N 3.22Å
359	C	98.7	Very high	98	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.02	21%	0.209	C	C	.	.	H	α-helix	trans	-79.8	-37.7	-167.8	-59.6	0	0	0	0	112.8	F256 A273 K276 L355 I356	F256-C359 HydrophobicContact CE1-CB 3.93Å; A273-C359 HydrophobicContact CB-CB 4Å; K276-C359 PolarHBondContact NZ-O 2.9Å; L355-C359 WeakPolarHBondContact O-CB 3.24Å; L355-C359 PolarHBondContact O-N 3.25Å; L355-C359 PolarHBondContact O-SG 3.4Å; I356-C359 PolarHBondContact O-N 2.61Å
360	L	98.5	Very high	97.7	Very high	23 Å²	23	46.6 Å²	46.6	12%	0.12	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-34.3	-170.2	-52.8	-169.4	0	0	0	113.5	V124 Q127 F256 T258 I356	V124-L360 HydrophobicContact CB-CD1 4.05Å; V124-L360 HydrophobicContact CG1-CB 4.12Å; V124-L360 HydrophobicContact CG1-CD1 4.24Å; V124-L360 HydrophobicContact CG2-CD1 4.17Å; Q127-L360 HydrophobicContact CB-CD1 4.44Å; F256-L360 HydrophobicContact CZ-CD1 4.26Å; F256-L360 HydrophobicContact CZ-CD2 4.41Å; F256-L360 HydrophobicContact CZ-CG 4.32Å; T258-L360 HydrophobicContact CG2-CD1 3.73Å; T258-L360 HydrophobicContact CG2-CD2 3.59Å; T258-L360 HydrophobicContact CG2-CG 4.28Å; I356-L360 HydrophobicContact CD1-CD1 3.71Å; I356-L360 HydrophobicContact CD1-CG 4.33Å; I356-L360 HydrophobicContact CG2-CB 4.39Å; I356-L360 HydrophobicContact CG2-CD1 4.47Å; I356-L360 WeakPolarHBondContact O-CA 2.95Å; I356-L360 WeakPolarHBondContact O-CB 3.4Å; I356-L360 PolarHBondContact O-N 3.25Å
361	L	98.3	Very high	97.4	Very high	38 Å²	38	49 Å²	49	20%	0.199	26%	0.258	C	S	.	.	S	Bend	trans	-91.6	-6.1	177.9	-56.1	-177.4	0	0	0	113.4	I120 M123 V124 I356 R357 E363 Y371	I120-L361 HydrophobicContact CD1-CD1 4.08Å; I120-L361 HydrophobicContact CG2-CD1 4.12Å; M123-L361 HydrophobicContact CE-CD1 4.19Å; M123-L361 HydrophobicContact CE-CD2 4.23Å; V124-L361 HydrophobicContact CG1-CD2 3.72Å; V124-L361 HydrophobicContact CG1-CG 4.39Å; I356-L361 HydrophobicContact CG2-CG 4.39Å; I356-L361 PolarHBondContact O-N 3.31Å; I356-L361 VanDerWaalsContact O-N 3.13Å; R357-L361 HydrophobicContact CG-CD1 4.48Å; R357-L361 CarbonylContact O-C 3.57Å; R357-L361 WeakPolarHBondContact O-CB 3.35Å; R357-L361 PolarHBondContact O-N 3.29Å; L361-E363 HydrophobicContact CB-CG 4.13Å; L361-E363 PolarHBondContact O-N 3.33Å; L361-Y371 HydrophobicContact CD1-CE2 3.87Å
362	N	97.8	Very high	96.6	Very high	96 Å²	96	58.7 Å²	58.7	51%	0.513	30%	0.3	S	S	.	.			trans	56.8	28.7	178.7	-46.8	-70.6	0	0	0	113.3	K276 R357	K276-N362 VanDerWaalsContact CE-OD1 3.25Å; K276-N362 WeakPolarHBondContact CE-OD1 3.4Å; K276-N362 PolarHBondContact NZ-OD1 3.08Å; R357-N362 PolarHBondContact O-N 2.94Å
363	E	98.3	Very high	94.8	Very high	5 Å²	5	68 Å²	68	2%	0.023	35%	0.35	C	S	.	.			trans	-62.1	144.2	176.3	-64.7	-171.8	-150.8	0	0	110.3	R280 R357 L361 F369 Y371	R280-E363 WeakPolarHBondContact CD-O 3.48Å; R280-E363 PolarHBondContact NE-O 2.99Å; R357-E363 HydrophobicContact CB-CB 4.49Å; R357-E363 HydrophobicContact CB-CG 4.28Å; R357-E363 VanDerWaalsContact CG-OE1 3.28Å; R357-E363 WeakPolarHBondContact CG-OE1 3.49Å; R357-E363 IonicContact CZ-OE1 3.27Å; R357-E363 IonicContact NH1-OE1 2.68Å; R357-E363 PolarHBondContact NH1-OE1 3.17Å; R357-E363 IonicContact NH1-OE2 3.35Å; R357-E363 PolarHBondContact NH1-OE2 3.36Å; R357-E363 PolarHBondContact O-N 3.37Å; R357-E363 VanDerWaalsContact O-N 3.09Å; L361-E363 HydrophobicContact CB-CG 4.13Å; L361-E363 PolarHBondContact O-N 3.33Å; E363-F369 HydrophobicContact CB-CD2 3.82Å; E363-F369 HydrophobicContact CB-CE2 4.16Å; E363-F369 HydrophobicContact CG-CB 4.4Å; E363-F369 HydrophobicContact CG-CD2 3.57Å; E363-F369 HydrophobicContact CG-CE2 4.31Å; E363-F369 HydrophobicContact CG-CG 4.38Å; E363-F369 PolarHBondContact OE2-N 3.2Å; E363-Y371 WeakPolarHBondContact OE1-CE2 3.44Å; E363-Y371 PolarHBondContact OE1-OH 2.96Å; E363-Y371 VanDerWaalsContact OE1-OH 3.09Å
364	T	97.2	Very high	94.6	Very high	96 Å²	96	70.6 Å²	70.6	59%	0.589	36%	0.363	S	S	*	.			trans	-132.5	171.8	172.8	57.4	0	0	0	0	109.7	F369	T364-F369 WeakPolarHBondContact O-CE2 3.5Å
365	G	96.3	Very high	94.4	Very high	50 Å²	50	74.2 Å²	74.2	52%	0.515	38%	0.381	S	S	.	.	S	Bend	trans	88.7	-172.8	-175.3	0	0	0	0	0	114.7	R280	R280-G365 PolarHBondContact NH1-O 3.4Å
366	D	95	Very high	94.1	Very high	105 Å²	105	78.3 Å²	78.3	56%	0.561	40%	0.403	S	S	*	.	S	Bend	trans	-94.1	-16.6	-170.4	-79.8	-56.6	0	0	0	115.5	Y283 R286	Y283-D366 WeakPolarHBondContact CD2-O 3.48Å; R286-D366 IonicContact CZ-OD1 3.63Å; R286-D366 IonicContact NH1-OD1 3.47Å; R286-D366 PolarHBondContact NH1-OD1 3.39Å; R286-D366 PolarHBondContact NH2-O 2.98Å; R286-D366 IonicContact NH2-OD1 3.51Å; R286-D366 PolarHBondContact NH2-OD1 3.05Å
367	E	95.4	Very high	93.9	Very high	142 Å²	142	82.9 Å²	82.9	66%	0.664	43%	0.426	S	S	*	.	S	Bend	trans	-123.4	150.8	-173.7	-68.3	-63.4	151.1	0	0	110.9
368	P	96.6	Very high	93.6	Very high	54 Å²	54	87.2 Å²	87.2	35%	0.351	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-70.2	138.8	177.1	27.6	-32.3	0	0	0	111.9
369	F	96.3	Very high	93.2	Very high	110 Å²	110	92.9 Å²	92.9	48%	0.482	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-67.8	140.7	174.1	-78.4	-90.7	0	0	0	111.6	R357 E363 T364 Y371	R357-F369 PolarHBondContact NH1-O 3.17Å; E363-F369 HydrophobicContact CB-CD2 3.82Å; E363-F369 HydrophobicContact CB-CE2 4.16Å; E363-F369 HydrophobicContact CG-CB 4.4Å; E363-F369 HydrophobicContact CG-CD2 3.57Å; E363-F369 HydrophobicContact CG-CE2 4.31Å; E363-F369 HydrophobicContact CG-CG 4.38Å; E363-F369 PolarHBondContact OE2-N 3.2Å; T364-F369 WeakPolarHBondContact O-CE2 3.5Å; F369-Y371 HydrophobicContact CB-CE2 4.15Å
370	Q	94.3	Very high	92.8	Very high	195 Å²	195	99.4 Å²	99.4	91%	0.911	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-90.1	118.8	171.7	-65.7	-171.6	3.7	0	0	110.4
371	Y	92.2	Very high	92.4	Very high	76 Å²	76	105.2 Å²	105.2	30%	0.298	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-95.4	144.2	174.2	-61.2	-81.2	0	0	0	110.9	R119 I120 M123 L361 E363 F369	R119-Y371 PolarHBondContact NH2-O 2.84Å; I120-Y371 HydrophobicContact CD1-CD2 3.82Å; I120-Y371 HydrophobicContact CD1-CE2 3.92Å; M123-Y371 HydrophobicContact CE-CD1 3.65Å; M123-Y371 HydrophobicContact CE-CD2 3.95Å; M123-Y371 HydrophobicContact CE-CE1 3.84Å; M123-Y371 HydrophobicContact CE-CE2 4.12Å; M123-Y371 HydrophobicContact CE-CG 3.7Å; M123-Y371 HydrophobicContact SD-CD2 4.04Å; M123-Y371 HydrophobicContact SD-CG 4.02Å; L361-Y371 HydrophobicContact CD1-CE2 3.87Å; E363-Y371 WeakPolarHBondContact OE1-CE2 3.44Å; E363-Y371 PolarHBondContact OE1-OH 2.96Å; E363-Y371 VanDerWaalsContact OE1-OH 3.09Å; F369-Y371 HydrophobicContact CB-CE2 4.15Å
372	K	82.3	Confident	91.9	Very high	204 Å²	204	110.8 Å²	110.8	89%	0.887	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-71.9	143.3	167.6	-68.7	-164.2	176.4	-173.8	0	109.5
373	N	60.8	Low	91.3	Very high	197 Å²	197	112.2 Å²	112.2	100%	1.053	58%	0.576	S	S	*	*			trans	-66.7	0	169.4	-77.1	-13	0	0	0	111.4	R119	R119-N373 PolarHBondContact NE-OD1 2.9Å; R119-N373 PolarHBondContact NH2-OD1 3.18Å

Retrieved 373 of 373 residues in 207.3 ms (Link to these results)

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