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Malate dehydrogenase

Mitochondrial malate dehydrogenase that catalyzes the reversible conversion of malate to oxaloacetate using NAD(+) as a cofactor. Plays a central role in the tricarboxylic acid (TCA) cycle contributing to cellular respiration and energy production via the mitochondrial electron transport chain. Also participates in the malate-aspartate NADH shuttle, facilitating transfer of reducing equivalents between cytosol and mitochondria to maintain redox balance (NAD(+)/NADH homeostasis) and support metabolic flux between compartments. In addition to its metabolic role, binds to RNA in cells, associating with cytosolic RNAs including tRNAs and mRNAs.

AlphaFold DB (P40926), UniProt , Accession A0A024R4K3, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.2	Very low	47.6	Very low	240 Å²	240	144 Å²	144	100%	1.182	88%	0.876	S	S	*	*				0	111.8	0	-77.9	178	176.6	0	0	108.2
2	L	39.5	Very low	47.7	Very low	176 Å²	176	140 Å²	140	92%	0.921	87%	0.869	S	S	*	*			trans	20.5	110.5	158	-66.5	134.4	0	0	0	119.1
3	S	45.5	Very low	47.8	Very low	120 Å²	120	141.7 Å²	141.7	84%	0.839	87%	0.867	S	S	*	*			trans	-137.5	120.4	139.1	77.7	0	0	0	0	109.6
4	A	48	Very low	47.7	Very low	103 Å²	103	148.8 Å²	148.8	85%	0.851	87%	0.87	S	S	*	*			trans	-85.7	123.3	-174.6	0	0	0	0	0	110.1
5	L	50.1	Low	47.5	Very low	173 Å²	173	152.8 Å²	152.8	91%	0.906	87%	0.865	S	S	*	*			trans	-78.5	112.5	171	-85.2	148	0	0	0	109.9
6	A	51.6	Low	47.2	Very low	95 Å²	95	150.6 Å²	150.6	79%	0.785	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-75.3	123	167.2	0	0	0	0	0	109.9
7	R	48.6	Very low	46.9	Very low	240 Å²	240	151.5 Å²	151.5	91%	0.906	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-69.9	139.5	177.3	-75	174.8	159.8	-176.1	-5.7	111.4
8	P	50	Low	46.5	Very low	119 Å²	119	148.4 Å²	148.4	77%	0.773	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-79.8	132.9	162.5	31.8	-27.3	0	0	0	109.4	S10	P8-S10 PolarHBondContact O-N 2.94Å
9	A	49.7	Very low	46.2	Very low	102 Å²	102	146.7 Å²	146.7	84%	0.843	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.4	121.1	174.4	0	0	0	0	0	110.2	A11	A9-A11 PolarHBondContact O-N 3.32Å; A9-A11 VanDerWaalsContact O-N 3.09Å
10	S	44.4	Very low	46.1	Very low	123 Å²	123	144.4 Å²	144.4	86%	0.86	83%	0.83	S	S	*	*			trans	-64.7	104.5	173.7	-57.9	0	0	0	0	110.4	P8 A12	P8-S10 PolarHBondContact O-N 2.94Å; S10-A12 PolarHBondContact O-N 3.11Å
11	A	52	Low	46.2	Very low	93 Å²	93	141.3 Å²	141.3	77%	0.769	82%	0.822	S	S	*	*			trans	-68.5	111	165.9	0	0	0	0	0	108.8	A9 L13	A9-A11 PolarHBondContact O-N 3.32Å; A9-A11 VanDerWaalsContact O-N 3.09Å; A11-L13 PolarHBondContact O-N 3.4Å; A11-L13 VanDerWaalsContact O-N 3.1Å
12	A	48.4	Very low	46.8	Very low	96 Å²	96	135.3 Å²	135.3	79%	0.793	79%	0.791	S	S	*	*			trans	-61.1	110.6	176.1	0	0	0	0	0	110.4	S10 R14	S10-A12 PolarHBondContact O-N 3.11Å; A12-R14 PolarHBondContact O-N 2.98Å
13	L	49.8	Very low	47.9	Very low	162 Å²	162	132.8 Å²	132.8	85%	0.848	78%	0.779	S	S	*	*			trans	-63.1	99.5	166.9	-124.1	86.1	0	0	0	108.2	A11 R15	A11-L13 PolarHBondContact O-N 3.4Å; A11-L13 VanDerWaalsContact O-N 3.1Å; L13-R15 PolarHBondContact O-N 3.18Å
14	R	46	Very low	49.7	Very low	241 Å²	241	129.8 Å²	129.8	91%	0.909	75%	0.753	S	S	*	*			trans	-64.7	100.3	165.3	-77.3	-177.2	176	-176.2	-0.9	107.7	A12 S16	A12-R14 PolarHBondContact O-N 2.98Å; R14-S16 PolarHBondContact O-N 2.9Å; R14-S16 VanDerWaalsContact O-N 3.08Å
15	R	44.4	Very low	52	Low	209 Å²	209	125 Å²	125	79%	0.789	71%	0.714	S	S	*	*			trans	-60.8	107.9	166	-75.3	180	178.6	172	-0.8	108	L13 F17	L13-R15 PolarHBondContact O-N 3.18Å; R15-F17 HydrophobicContact CB-CD2 4.28Å; R15-F17 HydrophobicContact CB-CE2 4.27Å; R15-F17 PolarHBondContact O-N 3.37Å
16	S	43.6	Very low	54.3	Low	117 Å²	117	120.6 Å²	120.6	82%	0.818	69%	0.687	S	S	*	*			trans	-68.5	95.5	167	-168.9	0	0	0	0	108.1	R14 S18	R14-S16 PolarHBondContact O-N 2.9Å; R14-S16 VanDerWaalsContact O-N 3.08Å; S16-S18 VanDerWaalsContact C-N 3.25Å; S16-S18 PolarHBondContact O-N 3.13Å
17	F	41.5	Very low	56.5	Low	167 Å²	167	116 Å²	116	73%	0.732	65%	0.65	S	S	*	*			trans	-74.6	85.3	164.4	-86.1	-86.2	0	0	0	107.6	R15 T19	R15-F17 HydrophobicContact CB-CD2 4.28Å; R15-F17 HydrophobicContact CB-CE2 4.27Å; R15-F17 PolarHBondContact O-N 3.37Å; F17-T19 PolarHBondContact O-N 3.45Å
18	S	39.4	Very low	58.9	Low	96 Å²	96	104.6 Å²	104.6	67%	0.671	61%	0.607	S	S	*	*			trans	-71.4	82.4	160.3	176.6	0	0	0	0	107.7	S16 S20	S16-S18 VanDerWaalsContact C-N 3.25Å; S16-S18 PolarHBondContact O-N 3.13Å; S18-S20 PolarHBondContact O-N 2.67Å
19	T	41.5	Very low	61.2	Low	115 Å²	115	99 Å²	99	71%	0.706	57%	0.57	S	S	*	*			trans	-75.5	72.2	161.1	56	0	0	0	0	107.6	F17 A21	F17-T19 PolarHBondContact O-N 3.45Å; T19-A21 PolarHBondContact O-N 2.89Å
20	S	43.5	Very low	63.6	Low	100 Å²	100	94.1 Å²	94.1	70%	0.699	53%	0.53	S	S	*	.			trans	-65.5	95	151.5	56	0	0	0	0	104.4	S18 Q22	S18-S20 PolarHBondContact O-N 2.67Å; S20-Q22 PolarHBondContact O-N 3.4Å
21	A	47.7	Very low	66.2	Low	80 Å²	80	88.6 Å²	88.6	66%	0.661	49%	0.493	S	S	*	.			trans	-55.8	106.2	176.2	0	0	0	0	0	106.3	T19 N23	T19-A21 PolarHBondContact O-N 2.89Å; A21-N23 PolarHBondContact O-N 3.3Å
22	Q	58.5	Low	68.4	Low	114 Å²	114	84.2 Å²	84.2	53%	0.533	46%	0.456	S	S	.	.			trans	-58	112.4	172.2	-169.9	168.5	-3.1	0	0	105.5	S20 N24 L49	S20-Q22 PolarHBondContact O-N 3.4Å; Q22-N24 PolarHBondContact O-N 2.93Å; Q22-L49 VanDerWaalsContact NE2-CD2 3.26Å
23	N	61.6	Low	70.8	Confident	124 Å²	124	80.3 Å²	80.3	66%	0.663	42%	0.423	S	S	*	.			trans	-73.6	88.3	-179.7	-90.9	-17.5	0	0	0	107.1	A21 A25 N267	A21-N23 PolarHBondContact O-N 3.3Å; N23-A25 PolarHBondContact O-N 3.09Å; N23-N267 WeakPolarHBondContact CA-OD1 3.46Å; N23-N267 VanDerWaalsContact CB-OD1 3.3Å; N23-N267 WeakPolarHBondContact CB-OD1 3.29Å; N23-N267 PolarHBondContact N-OD1 3.05Å; N23-N267 PolarHBondContact O-ND2 3.41Å; N23-N267 PolarHBondContact O-OD1 3.42Å
24	N	82.7	Confident	73	Confident	57 Å²	57	74.2 Å²	74.2	31%	0.305	40%	0.399	S	S	.	.			trans	-64.8	125.9	176.4	-72.3	-7.6	0	0	0	109.5	Q22 P48 L49 S51	Q22-N24 PolarHBondContact O-N 2.93Å; N24-P48 PolarHBondContact ND2-O 3.04Å; N24-P48 PolarHBondContact OD1-O 2.94Å; N24-L49 CarbonylContact C-O 3.03Å; N24-L49 WeakPolarHBondContact CA-O 3.35Å; N24-S51 VanDerWaalsContact CB-CB 3.5Å; N24-S51 PolarHBondContact O-OG 3.35Å
25	A	96.4	Very high	75.4	Confident	3 Å²	3	65.2 Å²	65.2	3%	0.025	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	148.7	-170.8	0	0	0	0	0	113.1	N23 V27 L49 V50 S51 D94 V263	N23-A25 PolarHBondContact O-N 3.09Å; A25-V27 HydrophobicContact CB-CG2 4.15Å; A25-L49 PolarHBondContact N-O 2.96Å; A25-V50 WeakPolarHBondContact O-CA 3.29Å; A25-S51 PolarHBondContact O-N 3.12Å; A25-S51 PolarHBondContact O-OG 3.33Å; A25-D94 HydrophobicContact CB-CB 4.42Å; A25-V263 HydrophobicContact CB-CB 4.42Å; A25-V263 HydrophobicContact CB-CG1 3.76Å; A25-V263 HydrophobicContact CB-CG2 3.68Å
26	K	98.5	Very high	77.9	Confident	79 Å²	79	56.6 Å²	56.6	34%	0.343	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	114.1	166.1	-62.6	164.5	174.5	173.6	0	108.3	R52 G92 D94 V95	K26-R52 CarbonylContact C-O 3.5Å; K26-R52 WeakPolarHBondContact CA-O 3.18Å; K26-R52 HydrophobicContact CB-CB 4.31Å; K26-R52 HydrophobicContact CG-CB 3.92Å; K26-G92 WeakPolarHBondContact CD-O 3.29Å; K26-D94 WeakPolarHBondContact CB-OD2 3.45Å; K26-D94 PolarHBondContact N-OD2 3.46Å; K26-D94 PolarHBondContact O-N 3.43Å; K26-V95 PolarHBondContact O-N 2.91Å
27	V	98.8	Very high	80.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.8	-174.6	-174.4	0	0	0	0	110.2	A25 L44 V50 R52 L53 T54 V95 V97 V259	A25-V27 HydrophobicContact CB-CG2 4.15Å; V27-L44 HydrophobicContact CG1-CD1 4.01Å; V27-V50 HydrophobicContact CB-CG1 4.38Å; V27-V50 HydrophobicContact CG2-CG1 4.16Å; V27-V50 HydrophobicContact CG2-CG2 4.02Å; V27-R52 PolarHBondContact N-O 3.36Å; V27-L53 HydrophobicContact CB-CD1 4.43Å; V27-L53 WeakPolarHBondContact O-CA 3.4Å; V27-T54 PolarHBondContact O-N 3.21Å; V27-V95 CarbonylContact C-O 3.51Å; V27-V95 WeakPolarHBondContact CA-O 3.31Å; V27-V95 HydrophobicContact CG1-CB 4.39Å; V27-V95 HydrophobicContact CG2-CB 4.31Å; V27-V97 HydrophobicContact CG1-CG2 4.19Å; V27-V259 HydrophobicContact CG1-CG1 4.45Å; V27-V259 HydrophobicContact CG2-CG1 4.46Å
28	A	98.9	Very high	83.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	141.2	169.4	0	0	0	0	0	111.5	L30 T54 L90 C93 V95 V96 V97	A28-L30 HydrophobicContact CB-CD2 4.45Å; A28-T54 CarbonylContact C-O 3.58Å; A28-T54 VanDerWaalsContact CA-O 3.26Å; A28-T54 WeakPolarHBondContact CA-O 3.33Å; A28-T54 WeakPolarHBondContact CA-OG1 3.29Å; A28-T54 WeakPolarHBondContact CB-OG1 3.29Å; A28-L90 HydrophobicContact CB-CD2 4.48Å; A28-C93 HydrophobicContact CB-CB 4.44Å; A28-V95 PolarHBondContact N-O 3.1Å; A28-V96 HydrophobicContact CB-CG1 4.22Å; A28-V96 HydrophobicContact CB-CG2 4.22Å; A28-V96 WeakPolarHBondContact O-CA 3.35Å; A28-V97 PolarHBondContact O-N 3.49Å
29	V	98.9	Very high	86.1	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.5	169.8	-176.7	0	0	0	0	109.2	A32 L40 L44 L53 T54 L55 Y56 V97 P99	V29-A32 HydrophobicContact CB-CB 4.22Å; V29-A32 HydrophobicContact CG1-CB 4.06Å; V29-L40 HydrophobicContact CG1-CD2 4.18Å; V29-L44 HydrophobicContact CG2-CD1 3.52Å; V29-L53 HydrophobicContact CG2-CD1 4.04Å; V29-T54 PolarHBondContact N-O 2.87Å; V29-L55 HydrophobicContact CB-CD2 4.04Å; V29-L55 HydrophobicContact CG2-CD2 4.23Å; V29-Y56 PolarHBondContact O-N 3.01Å; V29-V97 WeakPolarHBondContact CA-O 3.48Å; V29-P99 HydrophobicContact CG1-CG 3.8Å
30	L	98.9	Very high	88.8	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.5	178.7	-46.1	-174	0	0	0	109.8	A28 Y56 L86 L90 V96 V97 I98 P99 A100 L124	A28-L30 HydrophobicContact CB-CD2 4.45Å; L30-Y56 HydrophobicContact CB-CD1 4.3Å; L30-Y56 HydrophobicContact CD2-CD1 4.13Å; L30-Y56 HydrophobicContact CD2-CG 4.13Å; L30-L86 HydrophobicContact CD2-CD1 3.95Å; L30-L90 HydrophobicContact CD1-CD2 4.17Å; L30-L90 HydrophobicContact CD2-CD2 3.96Å; L30-V96 HydrophobicContact CD1-CG1 3.73Å; L30-V96 HydrophobicContact CD2-CG1 4.37Å; L30-V96 HydrophobicContact CG-CG1 3.75Å; L30-V97 PolarHBondContact N-O 3.49Å; L30-I98 HydrophobicContact CB-CG1 4.45Å; L30-I98 HydrophobicContact CB-CG2 4.41Å; L30-I98 HydrophobicContact CD1-CD1 4.18Å; L30-I98 HydrophobicContact CD1-CG1 4.05Å; L30-I98 HydrophobicContact CG-CG1 4.38Å; L30-P99 WeakPolarHBondContact O-CD 3.49Å; L30-A100 VanDerWaalsContact O-CB 3.24Å; L30-A100 WeakPolarHBondContact O-CB 3.45Å; L30-A100 PolarHBondContact O-N 3.29Å; L30-L124 HydrophobicContact CB-CD1 4.03Å; L30-L124 HydrophobicContact CD1-CB 3.96Å; L30-L124 HydrophobicContact CD1-CD1 4.44Å; L30-L124 HydrophobicContact CD1-CD2 4.26Å; L30-L124 HydrophobicContact CD1-CG 4.44Å
31	G	98.5	Very high	91.5	Very high	8 Å²	8	34 Å²	34	8%	0.082	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.5	32.5	-165	0	0	0	0	0	112.4	S33 G34 G37 Y56 D57	G31-S33 VanDerWaalsContact C-N 3.26Å; G31-S33 PolarHBondContact O-N 3.48Å; G31-G34 PolarHBondContact O-N 3.21Å; G31-G37 WeakPolarHBondContact O-CA 3.39Å; G31-Y56 PolarHBondContact N-O 2.97Å; G31-D57 WeakPolarHBondContact CA-OD2 3.3Å
32	A	98.6	Very high	93.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-22	-172.9	0	0	0	0	0	113.9	V29 G37 Q38 L55 Y56 D57	V29-A32 HydrophobicContact CB-CB 4.22Å; V29-A32 HydrophobicContact CG1-CB 4.06Å; A32-G37 CarbonylContact O-C 3.55Å; A32-G37 WeakPolarHBondContact O-CA 3.27Å; A32-Q38 WeakPolarHBondContact O-CA 3.4Å; A32-Q38 WeakPolarHBondContact O-CG 3.39Å; A32-Q38 PolarHBondContact O-N 2.87Å; A32-L55 HydrophobicContact CB-CB 3.72Å; A32-L55 HydrophobicContact CB-CD2 3.97Å; A32-L55 HydrophobicContact CB-CG 4.31Å; A32-Y56 PolarHBondContact N-O 2.94Å; A32-D57 PolarHBondContact N-OD2 3.34Å
33	S	98.3	Very high	95.8	Very high	15 Å²	15	30.9 Å²	30.9	11%	0.105	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-10.6	-179.9	-57.4	0	0	0	0	113.1	G31 Q38 D57 A59 T61	G31-S33 VanDerWaalsContact C-N 3.26Å; G31-S33 PolarHBondContact O-N 3.48Å; S33-Q38 PolarHBondContact O-NE2 2.95Å; S33-D57 WeakPolarHBondContact CA-OD2 3.42Å; S33-D57 WeakPolarHBondContact CB-OD2 3.38Å; S33-D57 PolarHBondContact N-OD2 2.73Å; S33-D57 WeakPolarHBondContact OG-CB 3.3Å; S33-A59 WeakPolarHBondContact CB-O 3.43Å; S33-A59 PolarHBondContact OG-O 2.77Å; S33-T61 PolarHBondContact OG-N 3.27Å
34	G	96.4	Very high	97.6	Very high	33 Å²	33	25 Å²	25	34%	0.34	15%	0.151	S	C	.	.	S	Bend	trans	-72.4	172.1	179.6	0	0	0	0	0	114.1	G31 I36 G37 Q38	G31-G34 PolarHBondContact O-N 3.21Å; G34-I36 VanDerWaalsContact C-N 3.26Å; G34-I36 PolarHBondContact O-N 3.21Å; G34-G37 PolarHBondContact O-N 3.47Å; G34-Q38 PolarHBondContact O-N 3.43Å; G34-Q38 VanDerWaalsContact O-N 3.08Å
35	G	96.3	Very high	98.4	Very high	52 Å²	52	22.6 Å²	22.6	54%	0.536	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-28.3	-176.4	0	0	0	0	0	115	P39 T248	G35-P39 VanDerWaalsContact O-CD 3.3Å; G35-P39 WeakPolarHBondContact O-CD 3.45Å; G35-P39 VanDerWaalsContact O-CG 3.24Å; G35-P39 WeakPolarHBondContact O-CG 3.37Å; G35-T248 VanDerWaalsContact O-CB 3.29Å; G35-T248 WeakPolarHBondContact O-CB 3.47Å
36	I	98.1	Very high	98.5	Very high	29 Å²	29	26.1 Å²	26.1	15%	0.149	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-41	169.8	-63.3	162.9	0	0	0	110.2	G34 Q38 P39 L40 P99 I140 T248 M251	G34-I36 VanDerWaalsContact C-N 3.26Å; G34-I36 PolarHBondContact O-N 3.21Å; I36-Q38 PolarHBondContact O-N 3.44Å; I36-P39 WeakPolarHBondContact O-CD 3.28Å; I36-P39 WeakPolarHBondContact O-CG 3.46Å; I36-L40 WeakPolarHBondContact O-CB 3.36Å; I36-L40 PolarHBondContact O-N 2.91Å; I36-P99 HydrophobicContact CB-CB 4.05Å; I36-P99 HydrophobicContact CG2-CB 3.82Å; I36-I140 HydrophobicContact CD1-CG2 4.21Å; I36-T248 HydrophobicContact CG1-CG2 4.41Å; I36-M251 HydrophobicContact CD1-CB 4.22Å; I36-M251 HydrophobicContact CD1-CG 3.76Å; I36-M251 HydrophobicContact CG1-CB 4.14Å; I36-M251 HydrophobicContact CG1-CG 4.12Å; I36-M251 HydrophobicContact CG2-CB 4.42Å; I36-M251 HydrophobicContact CG2-CG 4.09Å
37	G	98.6	Very high	98.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	14%	0.144	C	C	.	.	H	α-helix	trans	-57.3	-46.6	-172.7	0	0	0	0	0	113.9	G31 A32 G34 L40 S41	G31-G37 WeakPolarHBondContact O-CA 3.39Å; A32-G37 CarbonylContact O-C 3.55Å; A32-G37 WeakPolarHBondContact O-CA 3.27Å; G34-G37 PolarHBondContact O-N 3.47Å; G37-L40 PolarHBondContact O-N 3.04Å; G37-S41 VanDerWaalsContact O-CB 3.26Å; G37-S41 WeakPolarHBondContact O-CB 3.39Å; G37-S41 PolarHBondContact O-N 2.84Å; G37-S41 PolarHBondContact O-OG 3.4Å
38	Q	98.8	Very high	98.4	Very high	92 Å²	92	27.3 Å²	27.3	43%	0.43	17%	0.172	S	C	.	.	H	α-helix	trans	-64.3	-57.2	-178.3	-65.6	-172.5	33.2	0	0	112.5	A32 S33 G34 I36 L40 S41 L42 V64	A32-Q38 WeakPolarHBondContact O-CA 3.4Å; A32-Q38 WeakPolarHBondContact O-CG 3.39Å; A32-Q38 PolarHBondContact O-N 2.87Å; S33-Q38 PolarHBondContact O-NE2 2.95Å; G34-Q38 PolarHBondContact O-N 3.43Å; G34-Q38 VanDerWaalsContact O-N 3.08Å; I36-Q38 PolarHBondContact O-N 3.44Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 3.23Å; Q38-S41 PolarHBondContact O-N 2.91Å; Q38-S41 VanDerWaalsContact O-N 3.14Å; Q38-L42 PolarHBondContact O-N 2.94Å; Q38-V64 HydrophobicContact CG-CG1 4.16Å; Q38-V64 HydrophobicContact CG-CG2 4.12Å
39	P	98.8	Very high	98.3	Very high	26 Å²	26	28 Å²	28	17%	0.169	18%	0.176	C	C	.	.	H	α-helix	trans	-64	-30.9	178.2	23.4	-32.7	0	0	0	112.7	G35 I36 L42 L43 L249 A252	G35-P39 VanDerWaalsContact O-CD 3.3Å; G35-P39 WeakPolarHBondContact O-CD 3.45Å; G35-P39 VanDerWaalsContact O-CG 3.24Å; G35-P39 WeakPolarHBondContact O-CG 3.37Å; I36-P39 WeakPolarHBondContact O-CD 3.28Å; I36-P39 WeakPolarHBondContact O-CG 3.46Å; P39-L42 PolarHBondContact O-N 3.3Å; P39-L43 VanDerWaalsContact O-CG 3.31Å; P39-L43 WeakPolarHBondContact O-CG 3.34Å; P39-L43 PolarHBondContact O-N 3.48Å; P39-L43 VanDerWaalsContact O-N 3.08Å; P39-L249 HydrophobicContact CB-CD2 4.01Å; P39-L249 HydrophobicContact CG-CD2 4.13Å; P39-A252 HydrophobicContact CB-CB 3.74Å; P39-A252 HydrophobicContact CG-CB 3.8Å
40	L	98.9	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.7	-46.9	173	174	62.9	0	0	0	110.9	V29 I36 G37 Q38 L42 L43 L44 V97 P99 I140 A252 A256	V29-L40 HydrophobicContact CG1-CD2 4.18Å; I36-L40 WeakPolarHBondContact O-CB 3.36Å; I36-L40 PolarHBondContact O-N 2.91Å; G37-L40 PolarHBondContact O-N 3.04Å; Q38-L40 VanDerWaalsContact C-N 3.27Å; Q38-L40 PolarHBondContact O-N 3.23Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 2.85Å; L40-L43 PolarHBondContact O-N 3.37Å; L40-L44 HydrophobicContact CD1-CD1 4.12Å; L40-L44 HydrophobicContact CD1-CG 4.19Å; L40-L44 HydrophobicContact CG-CD1 3.98Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 VanDerWaalsContact O-CG 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.37Å; L40-L44 PolarHBondContact O-N 3Å; L40-V97 HydrophobicContact CD2-CB 4.32Å; L40-V97 HydrophobicContact CD2-CG1 3.81Å; L40-P99 HydrophobicContact CD2-CG 4.32Å; L40-I140 HydrophobicContact CD2-CD1 4.23Å; L40-A252 HydrophobicContact CB-CB 4.01Å; L40-A256 HydrophobicContact CD1-CB 4Å
41	S	98.9	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-38.2	179.3	-57.9	0	0	0	0	111.7	G37 Q38 L44 K45 L53 L55	G37-S41 VanDerWaalsContact O-CB 3.26Å; G37-S41 WeakPolarHBondContact O-CB 3.39Å; G37-S41 PolarHBondContact O-N 2.84Å; G37-S41 PolarHBondContact O-OG 3.4Å; Q38-S41 PolarHBondContact O-N 2.91Å; Q38-S41 VanDerWaalsContact O-N 3.14Å; S41-L44 PolarHBondContact O-N 3.43Å; S41-K45 VanDerWaalsContact O-CB 3.31Å; S41-K45 WeakPolarHBondContact O-CB 3.36Å; S41-K45 PolarHBondContact O-N 3.49Å; S41-L53 WeakPolarHBondContact O-CD2 3.22Å; S41-L55 VanDerWaalsContact OG-CD2 3.3Å; S41-L55 WeakPolarHBondContact OG-CD2 3.43Å
42	L	98.9	Very high	98.2	Very high	71 Å²	71	33.3 Å²	33.3	37%	0.372	20%	0.2	S	C	.	.	H	α-helix	trans	-58.2	-51.3	171.1	174.2	61.4	0	0	0	112	Q38 P39 L40 L44 K45 N46 L68 I71	Q38-L42 PolarHBondContact O-N 2.94Å; P39-L42 PolarHBondContact O-N 3.3Å; L40-L42 VanDerWaalsContact C-N 3.3Å; L40-L42 PolarHBondContact O-N 2.85Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-L44 PolarHBondContact O-N 2.69Å; L42-K45 PolarHBondContact O-N 2.96Å; L42-N46 VanDerWaalsContact O-CG 3.25Å; L42-N46 PolarHBondContact O-N 3.06Å; L42-N46 PolarHBondContact O-OD1 3.36Å; L42-L68 HydrophobicContact CB-CD2 3.95Å; L42-L68 HydrophobicContact CD1-CD2 3.95Å; L42-I71 HydrophobicContact CD1-CD1 3.44Å; L42-I71 VanDerWaalsContact CD1-CD1 3.44Å
43	L	98.8	Very high	98.2	Very high	59 Å²	59	33.3 Å²	33.3	31%	0.309	20%	0.2	S	C	.	.	H	α-helix	trans	-62.4	-40.2	179.8	-67.3	174.6	0	0	0	111.9	P39 L40 N46 S47 A252 A256	P39-L43 VanDerWaalsContact O-CG 3.31Å; P39-L43 WeakPolarHBondContact O-CG 3.34Å; P39-L43 PolarHBondContact O-N 3.48Å; P39-L43 VanDerWaalsContact O-N 3.08Å; L40-L43 PolarHBondContact O-N 3.37Å; L43-N46 PolarHBondContact O-N 3.07Å; L43-S47 PolarHBondContact O-N 3.4Å; L43-A252 HydrophobicContact CD1-CB 4.26Å; L43-A256 HydrophobicContact CB-CB 3.78Å; L43-A256 HydrophobicContact CD1-CB 3.91Å
44	L	98.8	Very high	98.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-65	-43.2	175.9	-68	172.4	0	0	0	111.9	V27 V29 L40 S41 L42 N46 S47 L53 V259 F260	V27-L44 HydrophobicContact CG1-CD1 4.01Å; V29-L44 HydrophobicContact CG2-CD1 3.52Å; L40-L44 HydrophobicContact CD1-CD1 4.12Å; L40-L44 HydrophobicContact CD1-CG 4.19Å; L40-L44 HydrophobicContact CG-CD1 3.98Å; L40-L44 HydrophobicContact CG-CG 4.45Å; L40-L44 VanDerWaalsContact O-CG 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.37Å; L40-L44 PolarHBondContact O-N 3Å; S41-L44 PolarHBondContact O-N 3.43Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-L44 PolarHBondContact O-N 2.69Å; L44-N46 VanDerWaalsContact C-N 3.25Å; L44-N46 PolarHBondContact O-N 2.89Å; L44-S47 WeakPolarHBondContact O-CB 3.48Å; L44-S47 PolarHBondContact O-N 3.24Å; L44-S47 VanDerWaalsContact O-N 3.15Å; L44-L53 HydrophobicContact CB-CD1 4.11Å; L44-L53 HydrophobicContact CB-CD2 4.32Å; L44-L53 HydrophobicContact CD1-CD1 4.07Å; L44-V259 HydrophobicContact CD2-CB 4.08Å; L44-V259 HydrophobicContact CD2-CG1 3.69Å; L44-V259 HydrophobicContact CD2-CG2 4.5Å; L44-F260 HydrophobicContact CD2-CE1 3.76Å; L44-F260 HydrophobicContact CD2-CZ 4.22Å
45	K	98.7	Very high	98.4	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.03	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-33.9	174.9	173.6	55	173.4	158.4	0	112	S41 L42 S47 L53 L68 I71 T73 A75 V77	S41-K45 VanDerWaalsContact O-CB 3.31Å; S41-K45 WeakPolarHBondContact O-CB 3.36Å; S41-K45 PolarHBondContact O-N 3.49Å; L42-K45 PolarHBondContact O-N 2.96Å; K45-S47 PolarHBondContact O-N 3.44Å; K45-L53 HydrophobicContact CB-CD2 3.96Å; K45-L68 HydrophobicContact CB-CD2 4.43Å; K45-L68 WeakPolarHBondContact CE-O 3.38Å; K45-I71 WeakPolarHBondContact CE-O 3.36Å; K45-I71 HydrophobicContact CG-CB 4.23Å; K45-I71 HydrophobicContact CG-CD1 4.17Å; K45-I71 HydrophobicContact CG-CG2 4.44Å; K45-I71 PolarHBondContact NZ-O 3.23Å; K45-I71 VanDerWaalsContact NZ-O 3.14Å; K45-T73 WeakPolarHBondContact CD-OG1 3.18Å; K45-T73 WeakPolarHBondContact CE-OG1 3.42Å; K45-T73 PolarHBondContact NZ-O 2.83Å; K45-T73 PolarHBondContact NZ-OG1 2.92Å; K45-T73 WeakPolarHBondContact O-CB 3.24Å; K45-T73 PolarHBondContact O-OG1 3.33Å; K45-A75 HydrophobicContact CD-CB 4.02Å; K45-A75 PolarHBondContact NZ-O 2.93Å; K45-V77 HydrophobicContact CD-CG2 3.56Å; K45-V77 HydrophobicContact CG-CG2 4.29Å
46	N	98.6	Very high	98.5	Very high	76 Å²	76	29.1 Å²	29.1	41%	0.406	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-12.7	178.7	-70.5	-7.1	0	0	0	113.8	L42 L43 L44	L42-N46 VanDerWaalsContact O-CG 3.25Å; L42-N46 PolarHBondContact O-N 3.06Å; L42-N46 PolarHBondContact O-OD1 3.36Å; L43-N46 PolarHBondContact O-N 3.07Å; L44-N46 VanDerWaalsContact C-N 3.25Å; L44-N46 PolarHBondContact O-N 2.89Å
47	S	98	Very high	98.5	Very high	12 Å²	12	28.9 Å²	28.9	8%	0.084	15%	0.154	C	C	.	.			trans	-88.1	134.2	-175.4	-175.8	0	0	0	0	112.8	L43 L44 K45 L49 V50 F260	L43-S47 PolarHBondContact O-N 3.4Å; L44-S47 WeakPolarHBondContact O-CB 3.48Å; L44-S47 PolarHBondContact O-N 3.24Å; L44-S47 VanDerWaalsContact O-N 3.15Å; K45-S47 PolarHBondContact O-N 3.44Å; S47-L49 PolarHBondContact O-N 2.92Å; S47-L49 WeakPolarHBondContact OG-CB 3.43Å; S47-L49 PolarHBondContact OG-N 3.3Å; S47-V50 PolarHBondContact O-N 2.99Å; S47-F260 VanDerWaalsContact CB-CZ 3.44Å; S47-F260 VanDerWaalsContact OG-CE1 3.28Å; S47-F260 WeakPolarHBondContact OG-CE1 3.47Å
48	P	97.2	Very high	98.5	Very high	92 Å²	92	35 Å²	35	60%	0.597	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-14.7	172.8	30.7	-35.9	0	0	0	112.9	N24 V50	N24-P48 PolarHBondContact ND2-O 3.04Å; N24-P48 PolarHBondContact OD1-O 2.94Å; P48-V50 PolarHBondContact O-N 3.16Å
49	L	97.7	Very high	98.4	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.079	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-15.1	179.1	-61.7	-178.7	0	0	0	113.2	Q22 N24 A25 S47 F260 V263	Q22-L49 VanDerWaalsContact NE2-CD2 3.26Å; N24-L49 CarbonylContact C-O 3.03Å; N24-L49 WeakPolarHBondContact CA-O 3.35Å; A25-L49 PolarHBondContact N-O 2.96Å; S47-L49 PolarHBondContact O-N 2.92Å; S47-L49 WeakPolarHBondContact OG-CB 3.43Å; S47-L49 PolarHBondContact OG-N 3.3Å; L49-F260 HydrophobicContact CD1-CB 3.92Å; L49-F260 HydrophobicContact CD1-CD1 4.06Å; L49-F260 HydrophobicContact CD1-CG 4.22Å; L49-V263 HydrophobicContact CB-CG1 3.88Å; L49-V263 HydrophobicContact CD1-CB 4.49Å; L49-V263 HydrophobicContact CD1-CG1 4.41Å
50	V	98.4	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	122.1	-175.4	-176.8	0	0	0	0	109.8	A25 V27 S47 P48 R52 L53 A75	A25-V50 WeakPolarHBondContact O-CA 3.29Å; V27-V50 HydrophobicContact CB-CG1 4.38Å; V27-V50 HydrophobicContact CG2-CG1 4.16Å; V27-V50 HydrophobicContact CG2-CG2 4.02Å; S47-V50 PolarHBondContact O-N 2.99Å; P48-V50 PolarHBondContact O-N 3.16Å; V50-R52 WeakPolarHBondContact CG1-O 3.32Å; V50-L53 HydrophobicContact CG1-CB 4.27Å; V50-A75 HydrophobicContact CB-CB 4.24Å; V50-A75 HydrophobicContact CG1-CB 4Å; V50-A75 VanDerWaalsContact O-CB 3.3Å; V50-A75 WeakPolarHBondContact O-CB 3.22Å
51	S	97.7	Very high	98.3	Very high	39 Å²	39	38 Å²	38	27%	0.273	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-32.7	173.8	53.3	0	0	0	0	112.5	N24 A25 A75 A76	N24-S51 VanDerWaalsContact CB-CB 3.5Å; N24-S51 PolarHBondContact O-OG 3.35Å; A25-S51 PolarHBondContact O-N 3.12Å; A25-S51 PolarHBondContact O-OG 3.33Å; S51-A75 WeakPolarHBondContact O-CA 3.34Å; S51-A76 PolarHBondContact O-N 2.68Å
52	R	98.5	Very high	98.3	Very high	80 Å²	80	41.4 Å²	41.4	30%	0.302	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	129.6	-177.7	-168.2	171.9	68	169.1	10	109.4	K26 V27 V50 T54 A76 K91	K26-R52 CarbonylContact C-O 3.5Å; K26-R52 WeakPolarHBondContact CA-O 3.18Å; K26-R52 HydrophobicContact CB-CB 4.31Å; K26-R52 HydrophobicContact CG-CB 3.92Å; V27-R52 PolarHBondContact N-O 3.36Å; V50-R52 WeakPolarHBondContact CG1-O 3.32Å; R52-T54 HydrophobicContact CG-CG2 4.32Å; R52-A76 WeakPolarHBondContact CA-O 2.75Å; R52-K91 PolarHBondContact NH2-O 3.26Å
53	L	98.8	Very high	98.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	109.3	176.7	-179.1	61.8	0	0	0	108.8	V27 V29 S41 L44 K45 V50 L55 A76 V77 K78	V27-L53 HydrophobicContact CB-CD1 4.43Å; V27-L53 WeakPolarHBondContact O-CA 3.4Å; V29-L53 HydrophobicContact CG2-CD1 4.04Å; S41-L53 WeakPolarHBondContact O-CD2 3.22Å; L44-L53 HydrophobicContact CB-CD1 4.11Å; L44-L53 HydrophobicContact CB-CD2 4.32Å; L44-L53 HydrophobicContact CD1-CD1 4.07Å; K45-L53 HydrophobicContact CB-CD2 3.96Å; V50-L53 HydrophobicContact CG1-CB 4.27Å; L53-L55 HydrophobicContact CD1-CD2 3.9Å; L53-L55 HydrophobicContact CD2-CD2 4.01Å; L53-L55 HydrophobicContact CG-CD2 3.66Å; L53-L55 HydrophobicContact CG-CG 4.28Å; L53-A76 PolarHBondContact N-O 3.06Å; L53-V77 HydrophobicContact CB-CG2 4.44Å; L53-V77 HydrophobicContact CD2-CG2 4.46Å; L53-V77 WeakPolarHBondContact O-CA 3.47Å; L53-K78 PolarHBondContact O-N 2.82Å
54	T	98.9	Very high	98.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.8	174.4	55.1	0	0	0	0	109.5	V27 A28 V29 R52 K78 Y80 C89	V27-T54 PolarHBondContact O-N 3.21Å; A28-T54 CarbonylContact C-O 3.58Å; A28-T54 VanDerWaalsContact CA-O 3.26Å; A28-T54 WeakPolarHBondContact CA-O 3.33Å; A28-T54 WeakPolarHBondContact CA-OG1 3.29Å; A28-T54 WeakPolarHBondContact CB-OG1 3.29Å; V29-T54 PolarHBondContact N-O 2.87Å; R52-T54 HydrophobicContact CG-CG2 4.32Å; T54-K78 WeakPolarHBondContact CA-O 3.38Å; T54-Y80 HydrophobicContact CG2-CE2 3.77Å; T54-C89 WeakPolarHBondContact CB-O 3.44Å; T54-C89 VanDerWaalsContact CB-SG 3.54Å; T54-C89 PolarHBondContact OG1-O 3.23Å
55	L	98.9	Very high	98.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.8	-175.1	-57.1	-177.9	0	0	0	108.2	V29 A32 S41 L53 T61 V64 A65 L68 V77 K78 G79 Y80	V29-L55 HydrophobicContact CB-CD2 4.04Å; V29-L55 HydrophobicContact CG2-CD2 4.23Å; A32-L55 HydrophobicContact CB-CB 3.72Å; A32-L55 HydrophobicContact CB-CD2 3.97Å; A32-L55 HydrophobicContact CB-CG 4.31Å; S41-L55 VanDerWaalsContact OG-CD2 3.3Å; S41-L55 WeakPolarHBondContact OG-CD2 3.43Å; L53-L55 HydrophobicContact CD1-CD2 3.9Å; L53-L55 HydrophobicContact CD2-CD2 4.01Å; L53-L55 HydrophobicContact CG-CD2 3.66Å; L53-L55 HydrophobicContact CG-CG 4.28Å; L55-T61 HydrophobicContact CB-CG2 3.76Å; L55-T61 VanDerWaalsContact O-CG2 3.27Å; L55-T61 WeakPolarHBondContact O-CG2 3.31Å; L55-V64 HydrophobicContact CD1-CG1 4.16Å; L55-A65 HydrophobicContact CD1-CB 4.31Å; L55-L68 HydrophobicContact CD1-CD1 3.66Å; L55-V77 HydrophobicContact CD1-CG1 3.81Å; L55-V77 HydrophobicContact CG-CG1 4.3Å; L55-K78 PolarHBondContact N-O 3.44Å; L55-G79 CarbonylContact O-C 3.24Å; L55-Y80 PolarHBondContact O-N 2.9Å
56	Y	98.9	Very high	98.3	Very high	11 Å²	11	40.6 Å²	40.6	4%	0.043	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.5	177.2	175.6	-96.8	0	0	0	110.9	V29 L30 G31 A32 Y80 G82 L86 L124	V29-Y56 PolarHBondContact O-N 3.01Å; L30-Y56 HydrophobicContact CB-CD1 4.3Å; L30-Y56 HydrophobicContact CD2-CD1 4.13Å; L30-Y56 HydrophobicContact CD2-CG 4.13Å; G31-Y56 PolarHBondContact N-O 2.97Å; A32-Y56 PolarHBondContact N-O 2.94Å; Y56-Y80 WeakPolarHBondContact CA-O 3.43Å; Y56-G82 VanDerWaalsContact CE2-O 3.29Å; Y56-G82 WeakPolarHBondContact CE2-O 3.44Å; Y56-L86 HydrophobicContact CD1-CD1 3.77Å; Y56-L86 HydrophobicContact CD2-CB 4.07Å; Y56-L86 HydrophobicContact CD2-CD1 3.72Å; Y56-L86 HydrophobicContact CD2-CG 4.47Å; Y56-L86 HydrophobicContact CE1-CD1 3.89Å; Y56-L86 HydrophobicContact CE1-CD2 4.37Å; Y56-L86 HydrophobicContact CE2-CB 3.51Å; Y56-L86 HydrophobicContact CE2-CD1 3.81Å; Y56-L86 HydrophobicContact CE2-CG 4.14Å; Y56-L86 HydrophobicContact CG-CD1 3.68Å; Y56-L124 HydrophobicContact CD1-CD2 4.21Å; Y56-L124 HydrophobicContact CE1-CD2 3.69Å
57	D	98.7	Very high	98.3	Very high	23 Å²	23	42.3 Å²	42.3	12%	0.123	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	170.6	167.3	-147.6	-64.9	0	0	0	109.5	G31 A32 S33 A59 T61 Y80 L81 G82	G31-D57 WeakPolarHBondContact CA-OD2 3.3Å; A32-D57 PolarHBondContact N-OD2 3.34Å; S33-D57 WeakPolarHBondContact CA-OD2 3.42Å; S33-D57 WeakPolarHBondContact CB-OD2 3.38Å; S33-D57 PolarHBondContact N-OD2 2.73Å; S33-D57 WeakPolarHBondContact OG-CB 3.3Å; D57-A59 WeakPolarHBondContact CB-O 3.42Å; D57-A59 PolarHBondContact OD1-N 3.26Å; D57-T61 WeakPolarHBondContact CA-OG1 3.39Å; D57-T61 HydrophobicContact CB-CG2 4.41Å; D57-T61 WeakPolarHBondContact CB-OG1 3.37Å; D57-T61 PolarHBondContact N-OG1 3.21Å; D57-Y80 PolarHBondContact N-O 2.89Å; D57-L81 WeakPolarHBondContact O-CA 3.43Å; D57-G82 PolarHBondContact O-N 3.24Å
58	I	97.5	Very high	98.3	Very high	129 Å²	129	42.1 Å²	42.1	66%	0.662	25%	0.249	S	C	*	.	S	Bend	trans	-85.4	-13.6	171.3	61.6	169.2	0	0	0	112.1	L81	I58-L81 VanDerWaalsContact C-CD1 3.45Å; I58-L81 WeakPolarHBondContact O-CD1 3.36Å
59	A	97.3	Very high	98.4	Very high	34 Å²	34	40.6 Å²	40.6	28%	0.281	24%	0.24	S	C	.	.	S	Bend	trans	-145.7	152.4	179.4	0	0	0	0	0	112.2	S33 D57 T61	S33-A59 WeakPolarHBondContact CB-O 3.43Å; S33-A59 PolarHBondContact OG-O 2.77Å; D57-A59 WeakPolarHBondContact CB-O 3.42Å; D57-A59 PolarHBondContact OD1-N 3.26Å; A59-T61 PolarHBondContact O-N 3.07Å
60	H	97.9	Very high	98.4	Very high	148 Å²	148	47.5 Å²	47.5	69%	0.685	27%	0.272	S	S	*	.	S	Bend	trans	63.4	-7.5	168.5	-48.6	-63.6	0	0	0	118.4	P62 G63 V64	H60-P62 VanDerWaalsContact C-CD 3.42Å; H60-P62 VanDerWaalsContact C-N 3.35Å; H60-G63 PolarHBondContact O-N 2.97Å; H60-V64 PolarHBondContact O-N 3.21Å
61	T	98.3	Very high	98.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-54.1	-38.2	-173.8	-26.1	0	0	0	0	115.2	S33 L55 D57 A59 G63 V64 A65 Y80	S33-T61 PolarHBondContact OG-N 3.27Å; L55-T61 HydrophobicContact CB-CG2 3.76Å; L55-T61 VanDerWaalsContact O-CG2 3.27Å; L55-T61 WeakPolarHBondContact O-CG2 3.31Å; D57-T61 WeakPolarHBondContact CA-OG1 3.39Å; D57-T61 HydrophobicContact CB-CG2 4.41Å; D57-T61 WeakPolarHBondContact CB-OG1 3.37Å; D57-T61 PolarHBondContact N-OG1 3.21Å; A59-T61 PolarHBondContact O-N 3.07Å; T61-G63 VanDerWaalsContact C-N 3.3Å; T61-G63 PolarHBondContact O-N 3.09Å; T61-V64 PolarHBondContact O-N 3.46Å; T61-A65 WeakPolarHBondContact O-CB 3.44Å; T61-A65 PolarHBondContact O-N 2.89Å; T61-Y80 VanDerWaalsContact CB-O 3.31Å; T61-Y80 WeakPolarHBondContact CB-O 3.27Å; T61-Y80 WeakPolarHBondContact CG2-O 3.33Å; T61-Y80 PolarHBondContact OG1-O 3.02Å; T61-Y80 VanDerWaalsContact OG1-O 3.08Å
62	P	98.3	Very high	98.5	Very high	71 Å²	71	57.6 Å²	57.6	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-58.4	-39.6	176.4	-27.5	36.8	0	0	0	113.3	H60 A66 L81	H60-P62 VanDerWaalsContact C-CD 3.42Å; H60-P62 VanDerWaalsContact C-N 3.35Å; P62-A66 WeakPolarHBondContact O-CB 3.34Å; P62-A66 PolarHBondContact O-N 3.3Å; P62-L81 HydrophobicContact CG-CB 4.32Å; P62-L81 HydrophobicContact CG-CD2 4.18Å
63	G	98.5	Very high	98.5	Very high	49 Å²	49	56.1 Å²	56.1	51%	0.505	32%	0.316	S	S	.	.	H	α-helix	trans	-69	-44	177.8	0	0	0	0	0	112.2	H60 T61 A65 A66 D67	H60-G63 PolarHBondContact O-N 2.97Å; T61-G63 VanDerWaalsContact C-N 3.3Å; T61-G63 PolarHBondContact O-N 3.09Å; G63-A65 VanDerWaalsContact C-N 3.32Å; G63-A65 PolarHBondContact O-N 3.29Å; G63-A66 PolarHBondContact O-N 3.01Å; G63-D67 WeakPolarHBondContact O-CB 3.22Å; G63-D67 PolarHBondContact O-N 3.5Å
64	V	98.7	Very high	98.4	Very high	14 Å²	14	65.2 Å²	65.2	9%	0.085	36%	0.355	C	S	.	.	H	α-helix	trans	-61.7	-41.2	177	179.8	0	0	0	0	111.3	Q38 L55 H60 T61 L68	Q38-V64 HydrophobicContact CG-CG1 4.16Å; Q38-V64 HydrophobicContact CG-CG2 4.12Å; L55-V64 HydrophobicContact CD1-CG1 4.16Å; H60-V64 PolarHBondContact O-N 3.21Å; T61-V64 PolarHBondContact O-N 3.46Å; V64-L68 HydrophobicContact CG1-CD1 4.07Å; V64-L68 WeakPolarHBondContact O-CG 3.35Å; V64-L68 PolarHBondContact O-N 3.46Å; V64-L68 VanDerWaalsContact O-N 3.12Å
65	A	98.8	Very high	98.4	Very high	10 Å²	10	65.2 Å²	65.2	8%	0.083	36%	0.355	C	S	.	.	H	α-helix	trans	-68.4	-40.6	177.3	0	0	0	0	0	112.6	L55 T61 G63 S69 V77 G79	L55-A65 HydrophobicContact CD1-CB 4.31Å; T61-A65 WeakPolarHBondContact O-CB 3.44Å; T61-A65 PolarHBondContact O-N 2.89Å; G63-A65 VanDerWaalsContact C-N 3.32Å; G63-A65 PolarHBondContact O-N 3.29Å; A65-S69 VanDerWaalsContact O-CB 3.26Å; A65-S69 WeakPolarHBondContact O-CB 3.38Å; A65-S69 PolarHBondContact O-N 3.32Å; A65-V77 HydrophobicContact CB-CG1 4.1Å; A65-G79 VanDerWaalsContact CB-N 3.33Å
66	A	98.7	Very high	98.3	Very high	48 Å²	48	68.1 Å²	68.1	40%	0.397	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-48.4	175.8	0	0	0	0	0	111	P62 G63 S69	P62-A66 WeakPolarHBondContact O-CB 3.34Å; P62-A66 PolarHBondContact O-N 3.3Å; G63-A66 PolarHBondContact O-N 3.01Å; A66-S69 PolarHBondContact O-N 3.44Å; A66-S69 PolarHBondContact O-OG 2.93Å
67	D	98.8	Very high	98.3	Very high	111 Å²	111	69 Å²	69	59%	0.594	39%	0.386	S	S	*	.	H	α-helix	trans	-55.2	-56.7	176.7	-174.3	7.7	0	0	0	111.7	G63 S69 H70	G63-D67 WeakPolarHBondContact O-CB 3.22Å; G63-D67 PolarHBondContact O-N 3.5Å; D67-S69 VanDerWaalsContact C-N 3.25Å; D67-S69 PolarHBondContact O-N 3.28Å; D67-H70 PolarHBondContact O-N 3.07Å
68	L	98.8	Very high	98.3	Very high	9 Å²	9	73.5 Å²	73.5	5%	0.047	40%	0.404	C	S	.	.	H	α-helix	trans	-63.8	-27.2	-179.2	-72.1	171.6	0	0	0	114	L42 K45 L55 V64 H70 I71 V77	L42-L68 HydrophobicContact CB-CD2 3.95Å; L42-L68 HydrophobicContact CD1-CD2 3.95Å; K45-L68 HydrophobicContact CB-CD2 4.43Å; K45-L68 WeakPolarHBondContact CE-O 3.38Å; L55-L68 HydrophobicContact CD1-CD1 3.66Å; V64-L68 HydrophobicContact CG1-CD1 4.07Å; V64-L68 WeakPolarHBondContact O-CG 3.35Å; V64-L68 PolarHBondContact O-N 3.46Å; V64-L68 VanDerWaalsContact O-N 3.12Å; L68-H70 PolarHBondContact O-N 3.09Å; L68-I71 HydrophobicContact CD2-CD1 3.85Å; L68-I71 PolarHBondContact O-N 3.17Å; L68-V77 HydrophobicContact CB-CG1 4.21Å; L68-V77 HydrophobicContact CB-CG2 4.34Å
69	S	98.5	Very high	98.4	Very high	60 Å²	60	68.3 Å²	68.3	42%	0.42	38%	0.383	S	S	.	.	H	α-helix	trans	-68.3	-20.9	-178.1	75.4	0	0	0	0	113.6	A65 A66 D67 I71	A65-S69 VanDerWaalsContact O-CB 3.26Å; A65-S69 WeakPolarHBondContact O-CB 3.38Å; A65-S69 PolarHBondContact O-N 3.32Å; A66-S69 PolarHBondContact O-N 3.44Å; A66-S69 PolarHBondContact O-OG 2.93Å; D67-S69 VanDerWaalsContact C-N 3.25Å; D67-S69 PolarHBondContact O-N 3.28Å; S69-I71 VanDerWaalsContact C-N 3.27Å; S69-I71 PolarHBondContact O-N 2.94Å
70	H	98.6	Very high	98.4	Very high	160 Å²	160	67.6 Å²	67.6	74%	0.741	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-12	178.5	-63	168.9	0	0	0	113.5	D67 L68	D67-H70 PolarHBondContact O-N 3.07Å; L68-H70 PolarHBondContact O-N 3.09Å
71	I	98.6	Very high	98.5	Very high	50 Å²	50	63.7 Å²	63.7	26%	0.256	36%	0.357	S	S	.	.	S	Bend	trans	-75	128.5	-179.6	-58.7	174.1	0	0	0	109.9	L42 K45 L68 S69 T73	L42-I71 HydrophobicContact CD1-CD1 3.44Å; L42-I71 VanDerWaalsContact CD1-CD1 3.44Å; K45-I71 WeakPolarHBondContact CE-O 3.36Å; K45-I71 HydrophobicContact CG-CB 4.23Å; K45-I71 HydrophobicContact CG-CD1 4.17Å; K45-I71 HydrophobicContact CG-CG2 4.44Å; K45-I71 PolarHBondContact NZ-O 3.23Å; K45-I71 VanDerWaalsContact NZ-O 3.14Å; L68-I71 HydrophobicContact CD2-CD1 3.85Å; L68-I71 PolarHBondContact O-N 3.17Å; S69-I71 VanDerWaalsContact C-N 3.27Å; S69-I71 PolarHBondContact O-N 2.94Å; I71-T73 HydrophobicContact CG2-CG2 4.04Å; I71-T73 PolarHBondContact O-N 3.37Å
72	E	98.3	Very high	98.5	Very high	201 Å²	201	64.3 Å²	64.3	94%	0.939	36%	0.363	S	S	*	.	S	Bend	trans	-71.9	45.9	-174.4	61.1	173.8	171.3	0	0	115.5
73	T	98.1	Very high	98.4	Very high	48 Å²	48	65.7 Å²	65.7	29%	0.294	37%	0.372	S	S	.	.	S	Bend	trans	-116.8	163.9	174.7	64.6	0	0	0	0	112.3	K45 I71 A75	K45-T73 WeakPolarHBondContact CD-OG1 3.18Å; K45-T73 WeakPolarHBondContact CE-OG1 3.42Å; K45-T73 PolarHBondContact NZ-O 2.83Å; K45-T73 PolarHBondContact NZ-OG1 2.92Å; K45-T73 WeakPolarHBondContact O-CB 3.24Å; K45-T73 PolarHBondContact O-OG1 3.33Å; I71-T73 HydrophobicContact CG2-CG2 4.04Å; I71-T73 PolarHBondContact O-N 3.37Å; T73-A75 PolarHBondContact O-N 3.14Å
74	K	97.1	Very high	98.4	Very high	191 Å²	191	72.2 Å²	72.2	83%	0.83	39%	0.39	S	S	*	.	S	Bend	trans	-69.2	-26.6	-170.7	-66.8	-63.5	-175.8	-175	0	115.5	A76	K74-A76 PolarHBondContact O-N 2.91Å
75	A	98.1	Very high	98.4	Very high	2 Å²	2	75.5 Å²	75.5	2%	0.017	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-64	122.7	-174.5	0	0	0	0	0	111.5	K45 V50 S51 T73 V77	K45-A75 HydrophobicContact CD-CB 4.02Å; K45-A75 PolarHBondContact NZ-O 2.93Å; V50-A75 HydrophobicContact CB-CB 4.24Å; V50-A75 HydrophobicContact CG1-CB 4Å; V50-A75 VanDerWaalsContact O-CB 3.3Å; V50-A75 WeakPolarHBondContact O-CB 3.22Å; S51-A75 WeakPolarHBondContact O-CA 3.34Å; T73-A75 PolarHBondContact O-N 3.14Å; A75-V77 PolarHBondContact O-N 3.38Å
76	A	98.4	Very high	98.4	Very high	61 Å²	61	75.5 Å²	75.5	50%	0.504	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	125.2	170.9	0	0	0	0	0	109.7	S51 R52 L53 K74	S51-A76 PolarHBondContact O-N 2.68Å; R52-A76 WeakPolarHBondContact CA-O 2.75Å; L53-A76 PolarHBondContact N-O 3.06Å; K74-A76 PolarHBondContact O-N 2.91Å
77	V	98.7	Very high	98.4	Very high	29 Å²	29	75.2 Å²	75.2	18%	0.176	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.2	-178.9	-174.2	0	0	0	0	110	K45 L53 L55 A65 L68 A75	K45-V77 HydrophobicContact CD-CG2 3.56Å; K45-V77 HydrophobicContact CG-CG2 4.29Å; L53-V77 HydrophobicContact CB-CG2 4.44Å; L53-V77 HydrophobicContact CD2-CG2 4.46Å; L53-V77 WeakPolarHBondContact O-CA 3.47Å; L55-V77 HydrophobicContact CD1-CG1 3.81Å; L55-V77 HydrophobicContact CG-CG1 4.3Å; A65-V77 HydrophobicContact CB-CG1 4.1Å; L68-V77 HydrophobicContact CB-CG1 4.21Å; L68-V77 HydrophobicContact CB-CG2 4.34Å; A75-V77 PolarHBondContact O-N 3.38Å
78	K	98.7	Very high	98.4	Very high	118 Å²	118	74.6 Å²	74.6	51%	0.513	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	129.5	171.2	-172.6	169.2	172.1	-171.4	0	110.9	L53 T54 L55 Y80	L53-K78 PolarHBondContact O-N 2.82Å; T54-K78 WeakPolarHBondContact CA-O 3.38Å; L55-K78 PolarHBondContact N-O 3.44Å; K78-Y80 HydrophobicContact CB-CE2 3.94Å; K78-Y80 HydrophobicContact CD-CE1 4.31Å; K78-Y80 HydrophobicContact CD-CE2 3.98Å; K78-Y80 WeakPolarHBondContact CD-OH 3.49Å; K78-Y80 HydrophobicContact CG-CD2 4.38Å; K78-Y80 HydrophobicContact CG-CE2 3.69Å
79	G	98.7	Very high	98.4	Very high	20 Å²	20	74.1 Å²	74.1	21%	0.206	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	142	175.8	0	0	0	0	0	112.2	L55 A65	L55-G79 CarbonylContact O-C 3.24Å; A65-G79 VanDerWaalsContact CB-N 3.33Å
80	Y	98.9	Very high	98.4	Very high	19 Å²	19	71.3 Å²	71.3	8%	0.075	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.9	178.4	-64.1	-91.7	0	0	0	109	T54 L55 Y56 D57 T61 K78 Q85 D88 C89	T54-Y80 HydrophobicContact CG2-CE2 3.77Å; L55-Y80 PolarHBondContact O-N 2.9Å; Y56-Y80 WeakPolarHBondContact CA-O 3.43Å; D57-Y80 PolarHBondContact N-O 2.89Å; T61-Y80 VanDerWaalsContact CB-O 3.31Å; T61-Y80 WeakPolarHBondContact CB-O 3.27Å; T61-Y80 WeakPolarHBondContact CG2-O 3.33Å; T61-Y80 PolarHBondContact OG1-O 3.02Å; T61-Y80 VanDerWaalsContact OG1-O 3.08Å; K78-Y80 HydrophobicContact CB-CE2 3.94Å; K78-Y80 HydrophobicContact CD-CE1 4.31Å; K78-Y80 HydrophobicContact CD-CE2 3.98Å; K78-Y80 WeakPolarHBondContact CD-OH 3.49Å; K78-Y80 HydrophobicContact CG-CD2 4.38Å; K78-Y80 HydrophobicContact CG-CE2 3.69Å; Y80-Q85 HydrophobicContact CD1-CB 4.1Å; Y80-Q85 WeakPolarHBondContact CD1-O 3.07Å; Y80-D88 HydrophobicContact CD1-CB 4Å; Y80-D88 HydrophobicContact CE1-CB 3.42Å; Y80-D88 VanDerWaalsContact CE1-CB 3.42Å; Y80-D88 PolarHBondContact OH-O 2.94Å; Y80-D88 VanDerWaalsContact OH-O 3.1Å; Y80-C89 HydrophobicContact CD1-CB 4.24Å; Y80-C89 HydrophobicContact CD2-CB 3.6Å; Y80-C89 HydrophobicContact CE2-CB 4.11Å; Y80-C89 HydrophobicContact CG-CB 3.65Å
81	L	98.6	Very high	98.4	Very high	66 Å²	66	70.8 Å²	70.8	35%	0.346	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.5	-172	-177.1	66.8	0	0	0	111.1	D57 I58 P62 Q85	D57-L81 WeakPolarHBondContact O-CA 3.43Å; I58-L81 VanDerWaalsContact C-CD1 3.45Å; I58-L81 WeakPolarHBondContact O-CD1 3.36Å; P62-L81 HydrophobicContact CG-CB 4.32Å; P62-L81 HydrophobicContact CG-CD2 4.18Å; L81-Q85 WeakPolarHBondContact O-CG 3.44Å
82	G	98.2	Very high	98.3	Very high	14 Å²	14	70.3 Å²	70.3	14%	0.144	38%	0.375	C	S	.	.	S	Bend	trans	78.1	162.7	172.4	0	0	0	0	0	114.8	Y56 D57 E84 Q85	Y56-G82 VanDerWaalsContact CE2-O 3.29Å; Y56-G82 WeakPolarHBondContact CE2-O 3.44Å; D57-G82 PolarHBondContact O-N 3.24Å; G82-E84 VanDerWaalsContact C-N 3.27Å; G82-E84 PolarHBondContact O-N 3.33Å; G82-E84 VanDerWaalsContact O-N 3.12Å; G82-Q85 PolarHBondContact O-N 3.43Å
83	P	97.5	Very high	98.3	Very high	100 Å²	100	61.1 Å²	61.1	65%	0.649	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-54.1	-36	-169.5	-28.4	36.2	0	0	0	115.3	Q85 L86	P83-Q85 PolarHBondContact O-N 3.34Å; P83-L86 WeakPolarHBondContact O-CB 3.43Å; P83-L86 PolarHBondContact O-N 2.81Å
84	E	97.9	Very high	98.4	Very high	186 Å²	186	61.8 Å²	61.8	87%	0.869	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-61.8	-28.9	-179.3	-61.7	-179.8	-178.6	0	0	113.1	G82	G82-E84 VanDerWaalsContact C-N 3.27Å; G82-E84 PolarHBondContact O-N 3.33Å; G82-E84 VanDerWaalsContact O-N 3.12Å
85	Q	98.6	Very high	98.4	Very high	83 Å²	83	52.7 Å²	52.7	39%	0.388	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-96.4	-6.4	-177.9	-64.3	-170.6	13.5	0	0	113.3	Y80 L81 G82 P83 D88 C89	Y80-Q85 HydrophobicContact CD1-CB 4.1Å; Y80-Q85 WeakPolarHBondContact CD1-O 3.07Å; L81-Q85 WeakPolarHBondContact O-CG 3.44Å; G82-Q85 PolarHBondContact O-N 3.43Å; P83-Q85 PolarHBondContact O-N 3.34Å; Q85-D88 PolarHBondContact O-N 3.4Å; Q85-C89 PolarHBondContact O-N 3.09Å
86	L	98.7	Very high	98.5	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.047	29%	0.294	C	S	.	.	H	α-helix	trans	-59.7	-44.1	-180	-179	55.9	0	0	0	113	L30 Y56 P83 D88 C89 L90 L124 A127	L30-L86 HydrophobicContact CD2-CD1 3.95Å; Y56-L86 HydrophobicContact CD1-CD1 3.77Å; Y56-L86 HydrophobicContact CD2-CB 4.07Å; Y56-L86 HydrophobicContact CD2-CD1 3.72Å; Y56-L86 HydrophobicContact CD2-CG 4.47Å; Y56-L86 HydrophobicContact CE1-CD1 3.89Å; Y56-L86 HydrophobicContact CE1-CD2 4.37Å; Y56-L86 HydrophobicContact CE2-CB 3.51Å; Y56-L86 HydrophobicContact CE2-CD1 3.81Å; Y56-L86 HydrophobicContact CE2-CG 4.14Å; Y56-L86 HydrophobicContact CG-CD1 3.68Å; P83-L86 WeakPolarHBondContact O-CB 3.43Å; P83-L86 PolarHBondContact O-N 2.81Å; L86-D88 VanDerWaalsContact C-N 3.32Å; L86-D88 PolarHBondContact O-N 3.43Å; L86-C89 WeakPolarHBondContact O-CB 3.41Å; L86-C89 PolarHBondContact O-N 3.07Å; L86-C89 VanDerWaalsContact O-N 3.13Å; L86-L90 HydrophobicContact CD1-CD1 3.82Å; L86-L90 HydrophobicContact CD1-CG 4.02Å; L86-L90 HydrophobicContact CG-CD1 3.89Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.97Å; L86-L124 HydrophobicContact CD1-CD2 4.45Å; L86-L124 HydrophobicContact CD2-CD2 3.88Å; L86-A127 HydrophobicContact CD2-CB 3.45Å; L86-A127 VanDerWaalsContact CD2-CB 3.45Å; L86-A127 HydrophobicContact CG-CB 3.9Å
87	P	98.7	Very high	98.5	Very high	43 Å²	43	49.7 Å²	49.7	28%	0.279	27%	0.27	S	S	.	.	H	α-helix	trans	-56.7	-43	177.8	-27.3	37	0	0	0	113.4	C89 L90 K91 H131	P87-C89 VanDerWaalsContact C-N 3.3Å; P87-C89 PolarHBondContact O-N 2.92Å; P87-L90 PolarHBondContact O-N 3.22Å; P87-K91 PolarHBondContact O-N 2.94Å; P87-H131 WeakPolarHBondContact CG-NE2 3.22Å
88	D	98.6	Very high	98.5	Very high	97 Å²	97	48.3 Å²	48.3	52%	0.519	26%	0.261	S	S	.	.	H	α-helix	trans	-70.3	-27	179.9	-74.1	-27.5	0	0	0	113	Y80 Q85 L86 L90	Y80-D88 HydrophobicContact CD1-CB 4Å; Y80-D88 HydrophobicContact CE1-CB 3.42Å; Y80-D88 VanDerWaalsContact CE1-CB 3.42Å; Y80-D88 PolarHBondContact OH-O 2.94Å; Y80-D88 VanDerWaalsContact OH-O 3.1Å; Q85-D88 PolarHBondContact O-N 3.4Å; L86-D88 VanDerWaalsContact C-N 3.32Å; L86-D88 PolarHBondContact O-N 3.43Å; D88-L90 VanDerWaalsContact C-N 3.34Å
89	C	98.8	Very high	98.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-37.4	172	-174.3	0	0	0	0	111.7	T54 Y80 Q85 L86 P87 C93	T54-C89 WeakPolarHBondContact CB-O 3.44Å; T54-C89 VanDerWaalsContact CB-SG 3.54Å; T54-C89 PolarHBondContact OG1-O 3.23Å; Y80-C89 HydrophobicContact CD1-CB 4.24Å; Y80-C89 HydrophobicContact CD2-CB 3.6Å; Y80-C89 HydrophobicContact CE2-CB 4.11Å; Y80-C89 HydrophobicContact CG-CB 3.65Å; Q85-C89 PolarHBondContact O-N 3.09Å; L86-C89 WeakPolarHBondContact O-CB 3.41Å; L86-C89 PolarHBondContact O-N 3.07Å; L86-C89 VanDerWaalsContact O-N 3.13Å; P87-C89 VanDerWaalsContact C-N 3.3Å; P87-C89 PolarHBondContact O-N 2.92Å; C89-C93 PolarHBondContact O-SG 3Å; C89-C93 VanDerWaalsContact O-SG 3.33Å
90	L	98.8	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-86.8	-28.9	-171.4	-67.8	171.9	0	0	0	113.4	A28 L30 L86 P87 D88 G92 C93 V96 A127 H131 C132	A28-L90 HydrophobicContact CB-CD2 4.48Å; L30-L90 HydrophobicContact CD1-CD2 4.17Å; L30-L90 HydrophobicContact CD2-CD2 3.96Å; L86-L90 HydrophobicContact CD1-CD1 3.82Å; L86-L90 HydrophobicContact CD1-CG 4.02Å; L86-L90 HydrophobicContact CG-CD1 3.89Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 2.97Å; P87-L90 PolarHBondContact O-N 3.22Å; D88-L90 VanDerWaalsContact C-N 3.34Å; L90-G92 PolarHBondContact O-N 2.99Å; L90-G92 VanDerWaalsContact O-N 3.08Å; L90-C93 WeakPolarHBondContact O-CB 3.38Å; L90-C93 PolarHBondContact O-N 3.42Å; L90-C93 PolarHBondContact O-SG 3.44Å; L90-V96 HydrophobicContact CD2-CG1 4.14Å; L90-V96 HydrophobicContact CD2-CG2 4.09Å; L90-A127 HydrophobicContact CD1-CB 3.68Å; L90-H131 HydrophobicContact CB-CB 3.86Å; L90-H131 HydrophobicContact CD1-CB 4.28Å; L90-C132 WeakPolarHBondContact O-CB 3.3Å
91	K	98.3	Very high	98.2	Very high	149 Å²	149	43.7 Å²	43.7	65%	0.648	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	115.2	-172	-172	175.2	-178	175	0	113.4	R52 P87 C93	R52-K91 PolarHBondContact NH2-O 3.26Å; P87-K91 PolarHBondContact O-N 2.94Å; K91-C93 VanDerWaalsContact C-N 3.35Å
92	G	97.1	Very high	97.7	Very high	41 Å²	41	42.6 Å²	42.6	42%	0.423	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	25.7	176.8	0	0	0	0	0	114.3	K26 L90	K26-G92 WeakPolarHBondContact CD-O 3.29Å; L90-G92 PolarHBondContact O-N 2.99Å; L90-G92 VanDerWaalsContact O-N 3.08Å
93	C	98.6	Very high	97	Very high	8 Å²	8	44.8 Å²	44.8	5%	0.054	26%	0.257	C	S	.	.			trans	-72.6	143.2	168.9	-66.7	0	0	0	0	111.3	A28 C89 L90 K91 V96 A135	A28-C93 HydrophobicContact CB-CB 4.44Å; C89-C93 PolarHBondContact O-SG 3Å; C89-C93 VanDerWaalsContact O-SG 3.33Å; L90-C93 WeakPolarHBondContact O-CB 3.38Å; L90-C93 PolarHBondContact O-N 3.42Å; L90-C93 PolarHBondContact O-SG 3.44Å; K91-C93 VanDerWaalsContact C-N 3.35Å; C93-V96 HydrophobicContact CB-CG2 4.14Å; C93-A135 WeakPolarHBondContact O-CB 3.48Å
94	D	98.6	Very high	95.8	Very high	62 Å²	62	46.5 Å²	46.5	33%	0.332	25%	0.251	S	S	.	.	S	Bend	trans	-92	-33	174.5	-57.8	-58.9	0	0	0	110.6	A25 K26 A135 M136 M266	A25-D94 HydrophobicContact CB-CB 4.42Å; K26-D94 WeakPolarHBondContact CB-OD2 3.45Å; K26-D94 PolarHBondContact N-OD2 3.46Å; K26-D94 PolarHBondContact O-N 3.43Å; D94-A135 WeakPolarHBondContact O-CA 3.27Å; D94-M136 PolarHBondContact O-N 3.13Å; D94-M266 HydrophobicContact CB-CE 3.79Å
95	V	98.9	Very high	94.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.6	177.7	-175.6	0	0	0	0	109.5	K26 V27 A28 V97 M136 V259 V263 M266	K26-V95 PolarHBondContact O-N 2.91Å; V27-V95 CarbonylContact C-O 3.51Å; V27-V95 WeakPolarHBondContact CA-O 3.31Å; V27-V95 HydrophobicContact CG1-CB 4.39Å; V27-V95 HydrophobicContact CG2-CB 4.31Å; A28-V95 PolarHBondContact N-O 3.1Å; V95-V97 HydrophobicContact CG1-CG2 4.31Å; V95-M136 CarbonylContact C-O 3.59Å; V95-M136 WeakPolarHBondContact CA-O 3.19Å; V95-M136 HydrophobicContact CG1-CB 4.38Å; V95-M136 HydrophobicContact CG2-CB 4.22Å; V95-M136 HydrophobicContact CG2-CG 4.43Å; V95-V259 HydrophobicContact CG1-CG1 4.31Å; V95-V259 HydrophobicContact CG1-CG2 4.42Å; V95-V263 HydrophobicContact CG2-CG2 4.06Å; V95-M266 HydrophobicContact CG2-CE 4.44Å; V95-M266 HydrophobicContact CG2-SD 4.01Å
96	V	98.9	Very high	93.4	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.2	172.2	-176	0	0	0	0	108.9	A28 L30 L90 C93 I98 A135 M136 I137 C138	A28-V96 HydrophobicContact CB-CG1 4.22Å; A28-V96 HydrophobicContact CB-CG2 4.22Å; A28-V96 WeakPolarHBondContact O-CA 3.35Å; L30-V96 HydrophobicContact CD1-CG1 3.73Å; L30-V96 HydrophobicContact CD2-CG1 4.37Å; L30-V96 HydrophobicContact CG-CG1 3.75Å; L90-V96 HydrophobicContact CD2-CG1 4.14Å; L90-V96 HydrophobicContact CD2-CG2 4.09Å; C93-V96 HydrophobicContact CB-CG2 4.14Å; V96-I98 HydrophobicContact CG1-CG1 4.15Å; V96-A135 HydrophobicContact CG2-CB 3.96Å; V96-M136 PolarHBondContact N-O 3.41Å; V96-I137 HydrophobicContact CB-CD1 4.01Å; V96-I137 HydrophobicContact CG2-CD1 4.13Å; V96-C138 PolarHBondContact O-N 2.8Å
97	V	98.9	Very high	92.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130.4	177.2	-161.3	0	0	0	0	109.4	V27 A28 V29 L30 L40 V95 P99 C138 I140 V259	V27-V97 HydrophobicContact CG1-CG2 4.19Å; A28-V97 PolarHBondContact O-N 3.49Å; V29-V97 WeakPolarHBondContact CA-O 3.48Å; L30-V97 PolarHBondContact N-O 3.49Å; L40-V97 HydrophobicContact CD2-CB 4.32Å; L40-V97 HydrophobicContact CD2-CG1 3.81Å; V95-V97 HydrophobicContact CG1-CG2 4.31Å; V97-P99 WeakPolarHBondContact O-CD 3.29Å; V97-C138 CarbonylContact C-O 3.31Å; V97-C138 WeakPolarHBondContact CA-O 3.33Å; V97-C138 HydrophobicContact CB-CB 4.48Å; V97-C138 HydrophobicContact CG1-CB 4.14Å; V97-C138 HydrophobicContact CG2-CB 4.4Å; V97-I140 HydrophobicContact CG1-CD1 3.55Å; V97-I140 HydrophobicContact CG1-CG1 4.23Å; V97-V259 HydrophobicContact CG2-CG2 3.48Å; V97-V259 VanDerWaalsContact CG2-CG2 3.48Å
98	I	98.9	Very high	91.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	79.8	-174.4	-47	-176.7	0	0	0	109.9	L30 V96 A100 L124 T125 I137 C138 I140 A141	L30-I98 HydrophobicContact CB-CG1 4.45Å; L30-I98 HydrophobicContact CB-CG2 4.41Å; L30-I98 HydrophobicContact CD1-CD1 4.18Å; L30-I98 HydrophobicContact CD1-CG1 4.05Å; L30-I98 HydrophobicContact CG-CG1 4.38Å; V96-I98 HydrophobicContact CG1-CG1 4.15Å; I98-A100 VanDerWaalsContact C-N 3.27Å; I98-A100 HydrophobicContact CG2-CB 4.18Å; I98-L124 HydrophobicContact CG2-CD1 3.85Å; I98-T125 HydrophobicContact CD1-CG2 3.67Å; I98-I137 HydrophobicContact CD1-CG2 4.05Å; I98-C138 PolarHBondContact N-O 3.28Å; I98-I140 PolarHBondContact O-N 3.23Å; I98-A141 PolarHBondContact O-N 3.22Å
99	P	98.4	Very high	90.3	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.084	29%	0.285	C	S	.	.			trans	-76.4	-10.1	165.3	32.8	-38.1	0	0	0	113.8	V29 L30 I36 L40 V97 G101 I140	V29-P99 HydrophobicContact CG1-CG 3.8Å; L30-P99 WeakPolarHBondContact O-CD 3.49Å; I36-P99 HydrophobicContact CB-CB 4.05Å; I36-P99 HydrophobicContact CG2-CB 3.82Å; L40-P99 HydrophobicContact CD2-CG 4.32Å; V97-P99 WeakPolarHBondContact O-CD 3.29Å; P99-G101 PolarHBondContact O-N 3.38Å; P99-I140 HydrophobicContact CB-CB 4.44Å; P99-I140 HydrophobicContact CB-CD1 4.47Å; P99-I140 HydrophobicContact CB-CG2 4.47Å
100	A	97.4	Very high	89.2	Confident	13 Å²	13	56.9 Å²	56.9	11%	0.107	32%	0.32	C	S	.	.			trans	-53.3	121.8	-179.8	0	0	0	0	0	112.5	L30 I98 I120 L124 A141	L30-A100 VanDerWaalsContact O-CB 3.24Å; L30-A100 WeakPolarHBondContact O-CB 3.45Å; L30-A100 PolarHBondContact O-N 3.29Å; I98-A100 VanDerWaalsContact C-N 3.27Å; I98-A100 HydrophobicContact CG2-CB 4.18Å; A100-I120 HydrophobicContact CB-CG2 3.88Å; A100-L124 HydrophobicContact CB-CD1 3.47Å; A100-L124 VanDerWaalsContact CB-CD1 3.47Å; A100-A141 WeakPolarHBondContact O-CB 3.2Å
101	G	93.2	Very high	88.4	Confident	34 Å²	34	61 Å²	61	35%	0.351	34%	0.342	S	S	.	.	S	Bend	trans	173	155.7	177.6	0	0	0	0	0	110	P99 N117	P99-G101 PolarHBondContact O-N 3.38Å; G101-N117 WeakPolarHBondContact CA-OD1 3.41Å
102	V	88.3	Confident	87.8	Confident	42 Å²	42	57 Å²	57	26%	0.255	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-78.2	130.7	172.6	178.5	0	0	0	0	107.8	M108 L113 T116 N117 I120	V102-M108 HydrophobicContact CG1-SD 4.31Å; V102-L113 WeakPolarHBondContact O-CD1 3.24Å; V102-T116 HydrophobicContact CB-CG2 4.13Å; V102-T116 HydrophobicContact CG2-CG2 3.6Å; V102-N117 PolarHBondContact N-OD1 3.29Å; V102-N117 PolarHBondContact O-ND2 3.03Å; V102-I120 HydrophobicContact CG2-CD1 4.3Å
103	P	82.8	Confident	87.3	Confident	61 Å²	61	56.3 Å²	56.3	40%	0.396	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-70.8	154.4	170.2	30.4	-34.4	0	0	0	109.7	K105	P103-K105 PolarHBondContact O-N 3.02Å; P103-K105 VanDerWaalsContact O-N 3.09Å
104	R	73	Confident	87	Confident	136 Å²	136	56.3 Å²	56.3	51%	0.513	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-58.6	118.9	174.1	-169.2	176.6	-177.4	-167.8	-2.7	109.8	L113	R104-L113 HydrophobicContact CB-CD2 4.09Å; R104-L113 HydrophobicContact CG-CD2 4.48Å
105	K	73	Confident	86.7	Confident	125 Å²	125	57.1 Å²	57.1	54%	0.543	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-98.9	152.5	173.5	-67.6	-178.2	179.8	178.9	0	110.6	P103 G107 M108	P103-K105 PolarHBondContact O-N 3.02Å; P103-K105 VanDerWaalsContact O-N 3.09Å; K105-G107 PolarHBondContact O-N 3.26Å; K105-M108 HydrophobicContact CB-CG 4.29Å; K105-M108 HydrophobicContact CB-SD 4.15Å; K105-M108 PolarHBondContact O-N 2.67Å; K105-M108 VanDerWaalsContact O-N 3.16Å
106	P	73.3	Confident	86.5	Confident	113 Å²	113	59.6 Å²	59.6	73%	0.734	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	133	168.2	-26.1	35.1	0	0	0	110.9
107	G	78.6	Confident	86.3	Confident	86 Å²	86	59.7 Å²	59.7	89%	0.887	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-18.7	-178.7	0	0	0	0	0	116.1	K105	K105-G107 PolarHBondContact O-N 3.26Å
108	M	76.4	Confident	86.2	Confident	46 Å²	46	59.7 Å²	59.7	23%	0.227	33%	0.334	C	S	.	.			trans	-75.1	132.4	175	-69.2	-174.1	94.9	0	0	111.4	V102 K105 D112	V102-M108 HydrophobicContact CG1-SD 4.31Å; K105-M108 HydrophobicContact CB-CG 4.29Å; K105-M108 HydrophobicContact CB-SD 4.15Å; K105-M108 PolarHBondContact O-N 2.67Å; K105-M108 VanDerWaalsContact O-N 3.16Å; M108-D112 HydrophobicContact CB-CB 4.41Å; M108-D112 HydrophobicContact CE-CB 3.94Å
109	T	77	Confident	86.1	Confident	72 Å²	72	63.3 Å²	63.3	44%	0.442	36%	0.356	S	S	.	.			trans	-71.5	165.4	168.8	71.6	0	0	0	0	110.5	D111 D112 L113	T109-D111 PolarHBondContact O-N 2.77Å; T109-D111 PolarHBondContact OG1-N 2.89Å; T109-D112 WeakPolarHBondContact CB-OD2 3.3Å; T109-D112 WeakPolarHBondContact CG2-OD2 3.36Å; T109-D112 PolarHBondContact N-OD2 3.17Å; T109-D112 PolarHBondContact O-N 3.48Å; T109-D112 PolarHBondContact OG1-N 3.12Å; T109-D112 PolarHBondContact OG1-OD2 3.45Å; T109-L113 PolarHBondContact O-N 3.02Å
110	R	75.7	Confident	86.1	Confident	193 Å²	193	65.1 Å²	65.1	73%	0.728	36%	0.364	S	S	*	.	H	α-helix	trans	-61.3	-30.7	172.6	-71.3	-178.8	175.3	180	-2.3	111.5	F114	R110-F114 PolarHBondContact O-N 2.85Å; R110-F114 VanDerWaalsContact O-N 3.15Å
111	D	80.5	Confident	86.2	Confident	86 Å²	86	64.5 Å²	64.5	46%	0.46	36%	0.359	S	S	.	.	H	α-helix	trans	-76.9	-38	-179.6	-70	-20.8	0	0	0	112.4	T109 L113 F114 N115 K329	T109-D111 PolarHBondContact O-N 2.77Å; T109-D111 PolarHBondContact OG1-N 2.89Å; D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 PolarHBondContact O-N 3.36Å; D111-F114 WeakPolarHBondContact O-CB 3.48Å; D111-F114 PolarHBondContact O-N 3.4Å; D111-N115 PolarHBondContact O-N 3.35Å; D111-N115 PolarHBondContact O-ND2 3.01Å; D111-K329 IonicContact OD1-NZ 3.6Å; D111-K329 PolarHBondContact OD1-NZ 2.81Å
112	D	85.3	Confident	86.4	Confident	67 Å²	67	63.2 Å²	63.2	36%	0.358	35%	0.345	S	S	.	.	H	α-helix	trans	-60.8	-44	175.1	-59.4	-41	0	0	0	111.3	M108 T109 F114 N115 T116	M108-D112 HydrophobicContact CB-CB 4.41Å; M108-D112 HydrophobicContact CE-CB 3.94Å; T109-D112 WeakPolarHBondContact CB-OD2 3.3Å; T109-D112 WeakPolarHBondContact CG2-OD2 3.36Å; T109-D112 PolarHBondContact N-OD2 3.17Å; T109-D112 PolarHBondContact O-N 3.48Å; T109-D112 PolarHBondContact OG1-N 3.12Å; T109-D112 PolarHBondContact OG1-OD2 3.45Å; D112-F114 VanDerWaalsContact C-N 3.35Å; D112-N115 PolarHBondContact O-N 3.44Å; D112-T116 WeakPolarHBondContact O-CB 3.21Å; D112-T116 PolarHBondContact O-N 3.2Å; D112-T116 PolarHBondContact O-OG1 2.96Å
113	L	87.1	Confident	86.9	Confident	26 Å²	26	65.5 Å²	65.5	14%	0.136	36%	0.359	C	S	.	.	H	α-helix	trans	-62.2	-44.2	176.4	-178.6	64.5	0	0	0	111.2	V102 R104 T109 D111 N117	V102-L113 WeakPolarHBondContact O-CD1 3.24Å; R104-L113 HydrophobicContact CB-CD2 4.09Å; R104-L113 HydrophobicContact CG-CD2 4.48Å; T109-L113 PolarHBondContact O-N 3.02Å; D111-L113 VanDerWaalsContact C-N 3.31Å; D111-L113 PolarHBondContact O-N 3.36Å; L113-N117 WeakPolarHBondContact O-CB 3.44Å; L113-N117 PolarHBondContact O-N 2.91Å
114	F	92.9	Very high	87.6	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.035	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-54.3	175.3	169.1	-95.1	0	0	0	111.3	R110 D111 D112 T116 N117 A118 P143 S146 I150 K329 F333	R110-F114 PolarHBondContact O-N 2.85Å; R110-F114 VanDerWaalsContact O-N 3.15Å; D111-F114 WeakPolarHBondContact O-CB 3.48Å; D111-F114 PolarHBondContact O-N 3.4Å; D112-F114 VanDerWaalsContact C-N 3.35Å; F114-T116 VanDerWaalsContact C-N 3.3Å; F114-T116 PolarHBondContact O-N 2.62Å; F114-N117 PolarHBondContact O-N 2.97Å; F114-A118 HydrophobicContact CE1-CB 4.26Å; F114-A118 HydrophobicContact CE2-CB 4.21Å; F114-A118 HydrophobicContact CZ-CB 4.05Å; F114-A118 WeakPolarHBondContact O-CA 3.41Å; F114-A118 WeakPolarHBondContact O-CB 3.31Å; F114-A118 PolarHBondContact O-N 2.92Å; F114-P143 HydrophobicContact CD2-CG 3.91Å; F114-S146 VanDerWaalsContact CE2-CB 3.49Å; F114-I150 HydrophobicContact CE2-CD1 4.1Å; F114-I150 HydrophobicContact CZ-CD1 4.25Å; F114-K329 HydrophobicContact CD1-CD 4.22Å; F114-K329 VanDerWaalsContact CD1-CE 3.41Å; F114-K329 HydrophobicContact CD1-CG 4.44Å; F114-K329 HydrophobicContact CD2-CD 4.35Å; F114-K329 HydrophobicContact CE1-CD 4.17Å; F114-K329 HydrophobicContact CE1-CG 3.89Å; F114-K329 HydrophobicContact CE2-CD 4.33Å; F114-K329 HydrophobicContact CE2-CG 4.18Å; F114-K329 HydrophobicContact CG-CD 4.31Å; F114-K329 HydrophobicContact CZ-CD 4.23Å; F114-K329 HydrophobicContact CZ-CG 3.75Å; F114-F333 HydrophobicContact CE1-CB 4.39Å; F114-F333 HydrophobicContact CE1-CD2 4.32Å; F114-F333 HydrophobicContact CZ-CB 4.01Å; F114-F333 HydrophobicContact CZ-CG 4.38Å
115	N	92.2	Very high	88.8	Confident	79 Å²	79	56.7 Å²	56.7	42%	0.422	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-41.1	-175.5	-72.1	-31.3	0	0	0	112.2	D111 D112 T119	D111-N115 PolarHBondContact O-N 3.35Å; D111-N115 PolarHBondContact O-ND2 3.01Å; D112-N115 PolarHBondContact O-N 3.44Å; N115-T119 PolarHBondContact O-N 2.83Å; N115-T119 PolarHBondContact O-OG1 3.41Å
116	T	94	Very high	90.1	Very high	52 Å²	52	51.7 Å²	51.7	32%	0.319	30%	0.301	S	S	.	.	H	α-helix	trans	-63.2	-53.6	177.7	-55.2	0	0	0	0	110.8	V102 D112 F114 T119 I120	V102-T116 HydrophobicContact CB-CG2 4.13Å; V102-T116 HydrophobicContact CG2-CG2 3.6Å; D112-T116 WeakPolarHBondContact O-CB 3.21Å; D112-T116 PolarHBondContact O-N 3.2Å; D112-T116 PolarHBondContact O-OG1 2.96Å; F114-T116 VanDerWaalsContact C-N 3.3Å; F114-T116 PolarHBondContact O-N 2.62Å; T116-T119 PolarHBondContact O-N 2.8Å; T116-I120 HydrophobicContact CG2-CD1 4.2Å; T116-I120 WeakPolarHBondContact O-CG1 3.49Å; T116-I120 PolarHBondContact O-N 3.45Å
117	N	96.1	Very high	91.3	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.011	27%	0.27	C	S	.	.	H	α-helix	trans	-73.9	-29.3	-175.9	-69.3	-8.5	0	0	0	112.6	G101 V102 L113 F114 T119 I120 V121 N142	G101-N117 WeakPolarHBondContact CA-OD1 3.41Å; V102-N117 PolarHBondContact N-OD1 3.29Å; V102-N117 PolarHBondContact O-ND2 3.03Å; L113-N117 WeakPolarHBondContact O-CB 3.44Å; L113-N117 PolarHBondContact O-N 2.91Å; F114-N117 PolarHBondContact O-N 2.97Å; N117-T119 VanDerWaalsContact C-N 3.32Å; N117-T119 PolarHBondContact O-N 3.37Å; N117-I120 PolarHBondContact O-N 2.97Å; N117-V121 WeakPolarHBondContact O-CB 3.31Å; N117-V121 VanDerWaalsContact O-CG2 3.28Å; N117-V121 WeakPolarHBondContact O-CG2 3.43Å; N117-V121 PolarHBondContact O-N 3.08Å; N117-N142 WeakPolarHBondContact CB-O 3.39Å; N117-N142 PolarHBondContact ND2-O 2.88Å
118	A	96.9	Very high	92.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-44.2	173.2	0	0	0	0	0	111.2	F114 A122 I150 F333	F114-A118 HydrophobicContact CE1-CB 4.26Å; F114-A118 HydrophobicContact CE2-CB 4.21Å; F114-A118 HydrophobicContact CZ-CB 4.05Å; F114-A118 WeakPolarHBondContact O-CA 3.41Å; F114-A118 WeakPolarHBondContact O-CB 3.31Å; F114-A118 PolarHBondContact O-N 2.92Å; A118-A122 VanDerWaalsContact O-CB 3.27Å; A118-A122 WeakPolarHBondContact O-CB 3.4Å; A118-A122 PolarHBondContact O-N 3.46Å; A118-I150 HydrophobicContact CB-CD1 3.49Å; A118-I150 VanDerWaalsContact CB-CD1 3.49Å; A118-F333 HydrophobicContact CB-CD1 3.84Å; A118-F333 HydrophobicContact CB-CD2 4.02Å; A118-F333 HydrophobicContact CB-CE1 3.64Å; A118-F333 HydrophobicContact CB-CE2 3.84Å; A118-F333 HydrophobicContact CB-CG 4.02Å; A118-F333 HydrophobicContact CB-CZ 3.65Å
119	T	96.7	Very high	93.3	Very high	75 Å²	75	40.7 Å²	40.7	46%	0.46	22%	0.219	S	C	.	.	H	α-helix	trans	-63.4	-49.1	175.9	-53.6	0	0	0	0	111.2	N115 T116 N117 V121 A122 T123	N115-T119 PolarHBondContact O-N 2.83Å; N115-T119 PolarHBondContact O-OG1 3.41Å; T116-T119 PolarHBondContact O-N 2.8Å; N117-T119 VanDerWaalsContact C-N 3.32Å; N117-T119 PolarHBondContact O-N 3.37Å; T119-V121 PolarHBondContact O-N 2.94Å; T119-A122 PolarHBondContact O-N 3.21Å; T119-T123 PolarHBondContact O-N 2.81Å; T119-T123 PolarHBondContact O-OG1 3.49Å; T119-T123 VanDerWaalsContact O-OG1 3.14Å
120	I	97.5	Very high	94.3	Very high	51 Å²	51	42.9 Å²	42.9	26%	0.262	22%	0.224	S	C	.	.	H	α-helix	trans	-56.8	-50.5	178.1	-66.6	167.5	0	0	0	110.8	A100 V102 T116 N117 A122 T123 L124	A100-I120 HydrophobicContact CB-CG2 3.88Å; V102-I120 HydrophobicContact CG2-CD1 4.3Å; T116-I120 HydrophobicContact CG2-CD1 4.2Å; T116-I120 WeakPolarHBondContact O-CG1 3.49Å; T116-I120 PolarHBondContact O-N 3.45Å; N117-I120 PolarHBondContact O-N 2.97Å; I120-A122 PolarHBondContact O-N 2.91Å; I120-T123 PolarHBondContact O-N 3.25Å; I120-L124 HydrophobicContact CG2-CD1 3.82Å; I120-L124 HydrophobicContact CG2-CG 4.45Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.48Å; I120-L124 PolarHBondContact O-N 2.95Å
121	V	98.5	Very high	95.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.3	-42.5	-178.9	170.7	0	0	0	0	111.2	N117 T119 T123 L124 T125 A141 T147 I150	N117-V121 WeakPolarHBondContact O-CB 3.31Å; N117-V121 VanDerWaalsContact O-CG2 3.28Å; N117-V121 WeakPolarHBondContact O-CG2 3.43Å; N117-V121 PolarHBondContact O-N 3.08Å; T119-V121 PolarHBondContact O-N 2.94Å; V121-T123 PolarHBondContact O-N 3.24Å; V121-L124 PolarHBondContact O-N 3.08Å; V121-T125 HydrophobicContact CG1-CG2 3.95Å; V121-T125 VanDerWaalsContact O-CB 3.29Å; V121-T125 WeakPolarHBondContact O-CB 3.42Å; V121-T125 WeakPolarHBondContact O-CG2 3.48Å; V121-T125 PolarHBondContact O-N 2.93Å; V121-T125 PolarHBondContact O-OG1 2.57Å; V121-A141 HydrophobicContact CG2-CB 3.43Å; V121-A141 VanDerWaalsContact CG2-CB 3.43Å; V121-T147 HydrophobicContact CB-CG2 4.45Å; V121-T147 HydrophobicContact CG2-CG2 3.9Å; V121-I150 HydrophobicContact CG1-CG2 4.15Å
122	A	98.4	Very high	96.3	Very high	8 Å²	8	33.5 Å²	33.5	7%	0.066	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-43.7	179.3	0	0	0	0	0	111.8	A118 T119 I120 T125 A126 I150 V154 F333 L337	A118-A122 VanDerWaalsContact O-CB 3.27Å; A118-A122 WeakPolarHBondContact O-CB 3.4Å; A118-A122 PolarHBondContact O-N 3.46Å; T119-A122 PolarHBondContact O-N 3.21Å; I120-A122 PolarHBondContact O-N 2.91Å; A122-T125 PolarHBondContact O-OG1 2.79Å; A122-A126 VanDerWaalsContact O-CB 3.28Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 3.45Å; A122-I150 HydrophobicContact CB-CG2 3.93Å; A122-V154 HydrophobicContact CB-CG2 4.12Å; A122-F333 HydrophobicContact CB-CE1 4.15Å; A122-L337 HydrophobicContact CB-CD1 3.71Å
123	T	98.1	Very high	96.9	Very high	89 Å²	89	32.2 Å²	32.2	55%	0.546	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-48.3	177.5	-58.5	0	0	0	0	112.1	T119 I120 V121 A126 A127	T119-T123 PolarHBondContact O-N 2.81Å; T119-T123 PolarHBondContact O-OG1 3.49Å; T119-T123 VanDerWaalsContact O-OG1 3.14Å; I120-T123 PolarHBondContact O-N 3.25Å; V121-T123 PolarHBondContact O-N 3.24Å; T123-A126 PolarHBondContact O-N 2.83Å; T123-A127 PolarHBondContact O-N 3.47Å
124	L	98.7	Very high	97.5	Very high	12 Å²	12	36.9 Å²	36.9	6%	0.063	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-40.3	-178	-65.9	177.5	0	0	0	112	L30 Y56 L86 I98 A100 I120 V121 A127 C128	L30-L124 HydrophobicContact CB-CD1 4.03Å; L30-L124 HydrophobicContact CD1-CB 3.96Å; L30-L124 HydrophobicContact CD1-CD1 4.44Å; L30-L124 HydrophobicContact CD1-CD2 4.26Å; L30-L124 HydrophobicContact CD1-CG 4.44Å; Y56-L124 HydrophobicContact CD1-CD2 4.21Å; Y56-L124 HydrophobicContact CE1-CD2 3.69Å; L86-L124 HydrophobicContact CD1-CD2 4.45Å; L86-L124 HydrophobicContact CD2-CD2 3.88Å; I98-L124 HydrophobicContact CG2-CD1 3.85Å; A100-L124 HydrophobicContact CB-CD1 3.47Å; A100-L124 VanDerWaalsContact CB-CD1 3.47Å; I120-L124 HydrophobicContact CG2-CD1 3.82Å; I120-L124 HydrophobicContact CG2-CG 4.45Å; I120-L124 VanDerWaalsContact O-CG 3.31Å; I120-L124 WeakPolarHBondContact O-CG 3.48Å; I120-L124 PolarHBondContact O-N 2.95Å; V121-L124 PolarHBondContact O-N 3.08Å; L124-A127 PolarHBondContact O-N 3.43Å; L124-C128 PolarHBondContact O-N 3.49Å; L124-C128 PolarHBondContact O-SG 3.07Å
125	T	98.8	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-73.6	-28.8	179.9	57.9	0	0	0	0	112.3	I98 V121 A122 C128 A129 T151 F155	I98-T125 HydrophobicContact CD1-CG2 3.67Å; V121-T125 HydrophobicContact CG1-CG2 3.95Å; V121-T125 VanDerWaalsContact O-CB 3.29Å; V121-T125 WeakPolarHBondContact O-CB 3.42Å; V121-T125 WeakPolarHBondContact O-CG2 3.48Å; V121-T125 PolarHBondContact O-N 2.93Å; V121-T125 PolarHBondContact O-OG1 2.57Å; A122-T125 PolarHBondContact O-OG1 2.79Å; T125-C128 WeakPolarHBondContact O-CB 3.22Å; T125-C128 PolarHBondContact O-N 3.37Å; T125-A129 WeakPolarHBondContact O-CB 3.48Å; T125-A129 PolarHBondContact O-N 2.89Å; T125-T151 HydrophobicContact CG2-CG2 3.62Å; T125-F155 VanDerWaalsContact O-CE2 3.28Å; T125-F155 WeakPolarHBondContact O-CE2 3.46Å
126	A	98.7	Very high	98.1	Very high	21 Å²	21	33 Å²	33	17%	0.174	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-44.9	168.9	0	0	0	0	0	111.2	A122 T123 C128 A129 Q130 V154	A122-A126 VanDerWaalsContact O-CB 3.28Å; A122-A126 WeakPolarHBondContact O-CB 3.38Å; A122-A126 PolarHBondContact O-N 3.45Å; T123-A126 PolarHBondContact O-N 2.83Å; A126-C128 VanDerWaalsContact C-N 3.33Å; A126-C128 PolarHBondContact O-N 2.86Å; A126-A129 WeakPolarHBondContact O-CB 3.34Å; A126-A129 PolarHBondContact O-N 3.21Å; A126-Q130 WeakPolarHBondContact O-CG 3.42Å; A126-Q130 PolarHBondContact O-N 3.15Å; A126-V154 HydrophobicContact CB-CG1 3.76Å
127	A	98.8	Very high	98.3	Very high	10 Å²	10	30.6 Å²	30.6	8%	0.083	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-40.1	174.6	0	0	0	0	0	112	L86 L90 T123 L124 Q130 H131	L86-A127 HydrophobicContact CD2-CB 3.45Å; L86-A127 VanDerWaalsContact CD2-CB 3.45Å; L86-A127 HydrophobicContact CG-CB 3.9Å; L90-A127 HydrophobicContact CD1-CB 3.68Å; T123-A127 PolarHBondContact O-N 3.47Å; L124-A127 PolarHBondContact O-N 3.43Å; A127-Q130 PolarHBondContact O-N 3.06Å; A127-H131 WeakPolarHBondContact O-CB 3.17Å; A127-H131 PolarHBondContact O-CD2 3.3Å; A127-H131 PolarHBondContact O-N 2.87Å
128	C	98.9	Very high	98.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-46.2	173	-64.4	0	0	0	0	111.9	L124 T125 A126 Q130 H131 C132 I137 F155	L124-C128 PolarHBondContact O-N 3.49Å; L124-C128 PolarHBondContact O-SG 3.07Å; T125-C128 WeakPolarHBondContact O-CB 3.22Å; T125-C128 PolarHBondContact O-N 3.37Å; A126-C128 VanDerWaalsContact C-N 3.33Å; A126-C128 PolarHBondContact O-N 2.86Å; C128-Q130 PolarHBondContact O-N 2.98Å; C128-H131 PolarHBondContact O-N 2.97Å; C128-C132 CarbonylContact O-C 3.59Å; C128-C132 WeakPolarHBondContact O-CA 3.47Å; C128-C132 PolarHBondContact O-N 3.46Å; C128-I137 HydrophobicContact CB-CD1 3.99Å; C128-F155 HydrophobicContact CB-CE2 4.21Å; C128-F155 HydrophobicContact CB-CZ 3.93Å
129	A	98.8	Very high	98.5	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.033	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-33.1	177.9	0	0	0	0	0	112.2	T125 A126 P133 F155 H158 V160	T125-A129 WeakPolarHBondContact O-CB 3.48Å; T125-A129 PolarHBondContact O-N 2.89Å; A126-A129 WeakPolarHBondContact O-CB 3.34Å; A126-A129 PolarHBondContact O-N 3.21Å; A129-P133 WeakPolarHBondContact O-CB 3.34Å; A129-F155 HydrophobicContact CB-CD1 4.28Å; A129-F155 HydrophobicContact CB-CD2 4.09Å; A129-F155 HydrophobicContact CB-CE1 4.26Å; A129-F155 HydrophobicContact CB-CE2 4.07Å; A129-F155 HydrophobicContact CB-CG 4.2Å; A129-F155 HydrophobicContact CB-CZ 4.14Å; A129-H158 HydrophobicContact CB-CB 3.83Å; A129-V160 HydrophobicContact CB-CG2 3.71Å
130	Q	98.7	Very high	98.6	Very high	118 Å²	118	27.1 Å²	27.1	55%	0.551	15%	0.146	S	C	*	.	H	α-helix	trans	-80.9	-36.4	178.5	-69.4	173.4	-30.7	0	0	113.9	A126 A127 C128	A126-Q130 WeakPolarHBondContact O-CG 3.42Å; A126-Q130 PolarHBondContact O-N 3.15Å; A127-Q130 PolarHBondContact O-N 3.06Å; C128-Q130 PolarHBondContact O-N 2.98Å
131	H	98.7	Very high	98.6	Very high	74 Å²	74	24.9 Å²	24.9	34%	0.343	14%	0.135	S	C	.	.	H	α-helix	trans	-114.2	-18.8	-166.3	-60.6	-55.9	0	0	0	115.2	P87 L90 A127 C128	P87-H131 WeakPolarHBondContact CG-NE2 3.22Å; L90-H131 HydrophobicContact CB-CB 3.86Å; L90-H131 HydrophobicContact CD1-CB 4.28Å; A127-H131 WeakPolarHBondContact O-CB 3.17Å; A127-H131 PolarHBondContact O-CD2 3.3Å; A127-H131 PolarHBondContact O-N 2.87Å; C128-H131 PolarHBondContact O-N 2.97Å
132	C	98.6	Very high	98.4	Very high	8 Å²	8	27.9 Å²	27.9	5%	0.054	15%	0.151	C	C	.	.			trans	-150.9	56.6	175.2	61.4	0	0	0	0	111.7	L90 C128 E134 A135	L90-C132 WeakPolarHBondContact O-CB 3.3Å; C128-C132 CarbonylContact O-C 3.59Å; C128-C132 WeakPolarHBondContact O-CA 3.47Å; C128-C132 PolarHBondContact O-N 3.46Å; C132-E134 PolarHBondContact O-N 3.38Å; C132-A135 HydrophobicContact CB-CB 4.08Å; C132-A135 WeakPolarHBondContact O-CB 3.36Å; C132-A135 PolarHBondContact O-N 2.9Å
133	P	98.7	Very high	98.3	Very high	39 Å²	39	29.2 Å²	29.2	25%	0.253	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.9	-174.8	22.3	-33.8	0	0	0	114	A129 V160	A129-P133 WeakPolarHBondContact O-CB 3.34Å; P133-V160 HydrophobicContact CB-CB 3.76Å; P133-V160 HydrophobicContact CB-CG1 3.91Å; P133-V160 HydrophobicContact CB-CG2 3.99Å
134	E	98.5	Very high	98.2	Very high	125 Å²	125	25.1 Å²	25.1	58%	0.584	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-3.7	-179.3	-65.4	-57	143.5	0	0	114.6	C132 K165	C132-E134 PolarHBondContact O-N 3.38Å; E134-K165 WeakPolarHBondContact O-CD 3.42Å; E134-K165 PolarHBondContact O-NZ 3.18Å; E134-K165 IonicContact OE2-NZ 2.57Å; E134-K165 PolarHBondContact OE2-NZ 3.14Å
135	A	98.8	Very high	98.2	Very high	2 Å²	2	24.6 Å²	24.6	2%	0.017	13%	0.131	C	C	.	.	S	Bend	trans	-71.3	153.5	179.9	0	0	0	0	0	112.1	C93 D94 V96 C132 I137	C93-A135 WeakPolarHBondContact O-CB 3.48Å; D94-A135 WeakPolarHBondContact O-CA 3.27Å; V96-A135 HydrophobicContact CG2-CB 3.96Å; C132-A135 HydrophobicContact CB-CB 4.08Å; C132-A135 WeakPolarHBondContact O-CB 3.36Å; C132-A135 PolarHBondContact O-N 2.9Å; A135-I137 HydrophobicContact CB-CD1 4.11Å; A135-I137 PolarHBondContact O-N 2.78Å
136	M	98.8	Very high	98.2	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.02	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	117.2	166.7	-54	-58.2	174	0	0	109.3	D94 V95 V96 K165 F167 L262 M266 G298	D94-M136 PolarHBondContact O-N 3.13Å; V95-M136 CarbonylContact C-O 3.59Å; V95-M136 WeakPolarHBondContact CA-O 3.19Å; V95-M136 HydrophobicContact CG1-CB 4.38Å; V95-M136 HydrophobicContact CG2-CB 4.22Å; V95-M136 HydrophobicContact CG2-CG 4.43Å; V96-M136 PolarHBondContact N-O 3.41Å; M136-K165 CarbonylContact C-O 3.55Å; M136-K165 WeakPolarHBondContact CA-O 3.42Å; M136-K165 HydrophobicContact CE-CD 4.47Å; M136-K165 HydrophobicContact CE-CG 4.32Å; M136-K165 HydrophobicContact SD-CB 3.88Å; M136-K165 HydrophobicContact SD-CD 4.11Å; M136-K165 HydrophobicContact SD-CG 3.66Å; M136-F167 HydrophobicContact CB-CE2 4.21Å; M136-F167 HydrophobicContact SD-CE2 4Å; M136-L262 HydrophobicContact CB-CD1 4.45Å; M136-M266 HydrophobicContact CE-CG 4.19Å; M136-M266 HydrophobicContact CE-SD 4.1Å; M136-M266 HydrophobicContact CG-SD 3.8Å; M136-G298 VanDerWaalsContact CE-CA 3.5Å
137	I	98.9	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113	-177.4	-49.3	-56.6	0	0	0	109.6	V96 I98 C128 A135 V139 T151 F155 K165 I166 F167	V96-I137 HydrophobicContact CB-CD1 4.01Å; V96-I137 HydrophobicContact CG2-CD1 4.13Å; I98-I137 HydrophobicContact CD1-CG2 4.05Å; C128-I137 HydrophobicContact CB-CD1 3.99Å; A135-I137 HydrophobicContact CB-CD1 4.11Å; A135-I137 PolarHBondContact O-N 2.78Å; I137-V139 HydrophobicContact CG2-CG2 4.13Å; I137-T151 HydrophobicContact CG2-CG2 4.16Å; I137-F155 HydrophobicContact CD1-CZ 3.99Å; I137-F155 HydrophobicContact CG1-CE1 4.24Å; I137-F155 HydrophobicContact CG1-CE2 4.3Å; I137-F155 HydrophobicContact CG1-CZ 3.64Å; I137-K165 PolarHBondContact N-O 3.19Å; I137-I166 HydrophobicContact CB-CG1 4.19Å; I137-I166 HydrophobicContact CG1-CG1 4.34Å; I137-F167 PolarHBondContact O-N 3.31Å
138	C	98.9	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	101.7	-178.4	-57.1	0	0	0	0	110.1	V96 V97 I98 F167 V169 L262	V96-C138 PolarHBondContact O-N 2.8Å; V97-C138 CarbonylContact C-O 3.31Å; V97-C138 WeakPolarHBondContact CA-O 3.33Å; V97-C138 HydrophobicContact CB-CB 4.48Å; V97-C138 HydrophobicContact CG1-CB 4.14Å; V97-C138 HydrophobicContact CG2-CB 4.4Å; I98-C138 PolarHBondContact N-O 3.28Å; C138-F167 CarbonylContact C-O 3.6Å; C138-F167 WeakPolarHBondContact CA-O 3.31Å; C138-V169 HydrophobicContact CB-CG2 3.86Å; C138-L262 WeakPolarHBondContact SG-CD1 3.5Å
139	V	98.8	Very high	98.2	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.8	-177.6	-172.5	0	0	0	0	110.1	I137 A141 I148 T151 F167 V169	I137-V139 HydrophobicContact CG2-CG2 4.13Å; V139-A141 HydrophobicContact CG1-CB 4.11Å; V139-I148 HydrophobicContact CB-CD1 3.84Å; V139-I148 HydrophobicContact CB-CG1 4.41Å; V139-I148 HydrophobicContact CG2-CD1 3.76Å; V139-T151 HydrophobicContact CG2-CG2 4.35Å; V139-F167 PolarHBondContact N-O 3.06Å; V139-V169 PolarHBondContact O-N 2.94Å
140	I	98.4	Very high	98.2	Very high	5 Å²	5	23.2 Å²	23.2	3%	0.026	12%	0.119	C	C	.	.			trans	-102.1	-25.3	172.7	-64.5	171.6	0	0	0	110.4	I36 L40 V97 I98 P99 N142 V169 M251	I36-I140 HydrophobicContact CD1-CG2 4.21Å; L40-I140 HydrophobicContact CD2-CD1 4.23Å; V97-I140 HydrophobicContact CG1-CD1 3.55Å; V97-I140 HydrophobicContact CG1-CG1 4.23Å; I98-I140 PolarHBondContact O-N 3.23Å; P99-I140 HydrophobicContact CB-CB 4.44Å; P99-I140 HydrophobicContact CB-CD1 4.47Å; P99-I140 HydrophobicContact CB-CG2 4.47Å; I140-N142 PolarHBondContact O-N 3.14Å; I140-V169 HydrophobicContact CG1-CB 3.79Å; I140-V169 HydrophobicContact CG1-CG1 4.22Å; I140-V169 HydrophobicContact CG1-CG2 3.78Å; I140-M251 HydrophobicContact CD1-CE 4.2Å; I140-M251 HydrophobicContact CG1-CE 4.13Å; I140-M251 HydrophobicContact CG2-CE 3.94Å; I140-M251 HydrophobicContact CG2-CG 3.91Å; I140-M251 HydrophobicContact CG2-SD 4.12Å
141	A	96.8	Very high	98.2	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.025	9%	0.093	C	C	.	.	S	Bend	trans	-50.3	120.9	-179.4	0	0	0	0	0	112.3	I98 A100 V121 V139 T147	I98-A141 PolarHBondContact O-N 3.22Å; A100-A141 WeakPolarHBondContact O-CB 3.2Å; V121-A141 HydrophobicContact CG2-CB 3.43Å; V121-A141 VanDerWaalsContact CG2-CB 3.43Å; V139-A141 HydrophobicContact CG1-CB 4.11Å; A141-T147 WeakPolarHBondContact O-CG2 3.47Å; A141-T147 PolarHBondContact O-OG1 2.93Å
142	N	94.4	Very high	98.2	Very high	64 Å²	64	14 Å²	14	34%	0.342	8%	0.077	S	C	.	.	S	Bend	trans	-80.5	149.6	-180	-89.2	-62.5	0	0	0	112.1	N117 I140	N117-N142 WeakPolarHBondContact CB-O 3.39Å; N117-N142 PolarHBondContact ND2-O 2.88Å; I140-N142 PolarHBondContact O-N 3.14Å
143	P	95.7	Very high	98.2	Very high	36 Å²	36	15.5 Å²	15.5	23%	0.234	8%	0.083	C	C	.	.	P	Polyproline II helix	cis	-83.5	120.5	-2.7	31	-32	0	0	0	112.3	F114 N145 S146 T147	F114-P143 HydrophobicContact CD2-CG 3.91Å; P143-N145 PolarHBondContact O-N 3.16Å; P143-N145 VanDerWaalsContact O-N 3.14Å; P143-S146 PolarHBondContact O-N 3.37Å; P143-T147 WeakPolarHBondContact O-CG2 3.41Å; P143-T147 PolarHBondContact O-N 3.08Å; P143-T147 PolarHBondContact O-OG1 3.22Å
144	V	97.7	Very high	98.2	Very high	2 Å²	2	14 Å²	14	1%	0.012	7%	0.073	C	C	.	.	H	α-helix	trans	-54.9	-37.3	-175.5	175.7	0	0	0	0	112.7	S146 T147 I148 H200 F277	V144-S146 PolarHBondContact O-N 2.79Å; V144-T147 VanDerWaalsContact CA-OG1 3.3Å; V144-T147 WeakPolarHBondContact CA-OG1 3.39Å; V144-T147 PolarHBondContact O-N 2.79Å; V144-I148 HydrophobicContact CG1-CG1 4.14Å; V144-I148 PolarHBondContact O-N 2.99Å; V144-H200 HydrophobicContact CB-CB 4.01Å; V144-F277 HydrophobicContact CG1-CB 4.22Å; V144-F277 HydrophobicContact CG1-CD1 4.3Å
145	N	98.2	Very high	98.2	Very high	2 Å²	2	8.2 Å²	8.2	1%	0.011	5%	0.046	C	C	.	.	H	α-helix	trans	-58.3	-20.6	178	-65.5	-1.3	0	0	0	113.8	P143 P149 G199 H200 T204 L323	P143-N145 PolarHBondContact O-N 3.16Å; P143-N145 VanDerWaalsContact O-N 3.14Å; N145-P149 WeakPolarHBondContact O-CG 3.14Å; N145-G199 WeakPolarHBondContact OD1-CA 3.11Å; N145-H200 PolarHBondContact OD1-N 3.19Å; N145-T204 PolarHBondContact ND2-OG1 3.07Å; N145-T204 VanDerWaalsContact ND2-OG1 3.16Å; N145-L323 HydrophobicContact CB-CD2 4.5Å
146	S	98.3	Very high	98.2	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	6%	0.062	C	C	.	.	H	α-helix	trans	-116.6	-29.7	177.3	-52.2	0	0	0	0	113.6	F114 P143 V144 I148 P149 I150 S326	F114-S146 VanDerWaalsContact CE2-CB 3.49Å; P143-S146 PolarHBondContact O-N 3.37Å; V144-S146 PolarHBondContact O-N 2.79Å; S146-I148 VanDerWaalsContact C-N 3.32Å; S146-I148 PolarHBondContact O-N 3.02Å; S146-P149 WeakPolarHBondContact O-CD 3.5Å; S146-I150 VanDerWaalsContact O-CG1 3.3Å; S146-I150 WeakPolarHBondContact O-CG1 3.38Å; S146-I150 PolarHBondContact O-N 2.79Å; S146-I150 VanDerWaalsContact O-N 3.1Å; S146-S326 WeakPolarHBondContact CB-O 3.4Å; S146-S326 PolarHBondContact OG-O 3.33Å
147	T	98.4	Very high	98.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-71.6	-26.4	-179.7	56.4	0	0	0	0	112.8	V121 A141 P143 V144 T151	V121-T147 HydrophobicContact CB-CG2 4.45Å; V121-T147 HydrophobicContact CG2-CG2 3.9Å; A141-T147 WeakPolarHBondContact O-CG2 3.47Å; A141-T147 PolarHBondContact O-OG1 2.93Å; P143-T147 WeakPolarHBondContact O-CG2 3.41Å; P143-T147 PolarHBondContact O-N 3.08Å; P143-T147 PolarHBondContact O-OG1 3.22Å; V144-T147 VanDerWaalsContact CA-OG1 3.3Å; V144-T147 WeakPolarHBondContact CA-OG1 3.39Å; V144-T147 PolarHBondContact O-N 2.79Å; T147-T151 WeakPolarHBondContact O-CB 3.48Å; T147-T151 PolarHBondContact O-N 3.29Å; T147-T151 PolarHBondContact O-OG1 3.44Å
148	I	98.7	Very high	98.1	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-69.4	-49.6	171.1	-75.9	-70.7	0	0	0	113	V139 V144 S146 I150 T151 A152 I166 F277 Y287	V139-I148 HydrophobicContact CB-CD1 3.84Å; V139-I148 HydrophobicContact CB-CG1 4.41Å; V139-I148 HydrophobicContact CG2-CD1 3.76Å; V144-I148 HydrophobicContact CG1-CG1 4.14Å; V144-I148 PolarHBondContact O-N 2.99Å; S146-I148 VanDerWaalsContact C-N 3.32Å; S146-I148 PolarHBondContact O-N 3.02Å; I148-I150 VanDerWaalsContact C-N 3.25Å; I148-I150 PolarHBondContact O-N 3.24Å; I148-T151 WeakPolarHBondContact O-CB 3.34Å; I148-T151 PolarHBondContact O-N 3.49Å; I148-T151 VanDerWaalsContact O-N 3.08Å; I148-A152 PolarHBondContact O-N 2.92Å; I148-I166 HydrophobicContact CD1-CG2 3.77Å; I148-F277 HydrophobicContact CB-CD1 3.84Å; I148-F277 HydrophobicContact CB-CE1 4.1Å; I148-F277 HydrophobicContact CG1-CD1 4.07Å; I148-F277 HydrophobicContact CG2-CD1 3.91Å; I148-F277 HydrophobicContact CG2-CE1 4.13Å; I148-Y287 HydrophobicContact CG2-CD1 3.64Å; I148-Y287 HydrophobicContact CG2-CE1 4Å; I148-Y287 HydrophobicContact CG2-CG 4.43Å
149	P	98.7	Very high	98.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-53.3	-42	169.5	-25.7	27.8	0	0	0	113	N145 S146 T151 A152 E153 Y287 I327 E331	N145-P149 WeakPolarHBondContact O-CG 3.14Å; S146-P149 WeakPolarHBondContact O-CD 3.5Å; P149-T151 PolarHBondContact O-N 2.68Å; P149-A152 PolarHBondContact O-N 2.9Å; P149-E153 WeakPolarHBondContact O-CG 3.26Å; P149-E153 PolarHBondContact O-N 2.86Å; P149-Y287 HydrophobicContact CB-CD2 4.36Å; P149-Y287 HydrophobicContact CB-CE2 3.96Å; P149-Y287 HydrophobicContact CG-CD2 3.86Å; P149-Y287 HydrophobicContact CG-CE2 3.97Å; P149-Y287 HydrophobicContact CG-CG 4.31Å; P149-I327 HydrophobicContact CB-CG2 4.49Å; P149-I327 HydrophobicContact CG-CB 4.25Å; P149-I327 HydrophobicContact CG-CG1 4.13Å; P149-I327 HydrophobicContact CG-CG2 4.13Å; P149-E331 HydrophobicContact CB-CG 3.96Å
150	I	98.8	Very high	98.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-49.7	173.9	-70.4	166.2	0	0	0	110.9	F114 A118 V121 A122 S146 I148 A152 E153 V154 G330 F333 V334	F114-I150 HydrophobicContact CE2-CD1 4.1Å; F114-I150 HydrophobicContact CZ-CD1 4.25Å; A118-I150 HydrophobicContact CB-CD1 3.49Å; A118-I150 VanDerWaalsContact CB-CD1 3.49Å; V121-I150 HydrophobicContact CG1-CG2 4.15Å; A122-I150 HydrophobicContact CB-CG2 3.93Å; S146-I150 VanDerWaalsContact O-CG1 3.3Å; S146-I150 WeakPolarHBondContact O-CG1 3.38Å; S146-I150 PolarHBondContact O-N 2.79Å; S146-I150 VanDerWaalsContact O-N 3.1Å; I148-I150 VanDerWaalsContact C-N 3.25Å; I148-I150 PolarHBondContact O-N 3.24Å; I150-A152 VanDerWaalsContact C-N 3.33Å; I150-A152 PolarHBondContact O-N 3.31Å; I150-E153 PolarHBondContact O-N 3.34Å; I150-V154 HydrophobicContact CG2-CG2 4.35Å; I150-V154 WeakPolarHBondContact O-CB 3.15Å; I150-V154 VanDerWaalsContact O-CG2 3.29Å; I150-V154 WeakPolarHBondContact O-CG2 3.47Å; I150-V154 PolarHBondContact O-N 3.03Å; I150-G330 VanDerWaalsContact CG1-O 3.25Å; I150-G330 WeakPolarHBondContact CG1-O 3.44Å; I150-F333 HydrophobicContact CD1-CD1 3.93Å; I150-F333 HydrophobicContact CD1-CG 4.43Å; I150-F333 HydrophobicContact CG1-CD1 4.11Å; I150-V334 HydrophobicContact CB-CG2 4.01Å; I150-V334 HydrophobicContact CG1-CG2 4.02Å; I150-V334 HydrophobicContact CG2-CG2 3.77Å
151	T	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.6	-46	-179.9	-56.8	0	0	0	0	111.1	T125 I137 V139 T147 I148 P149 V154 F155 I166	T125-T151 HydrophobicContact CG2-CG2 3.62Å; I137-T151 HydrophobicContact CG2-CG2 4.16Å; V139-T151 HydrophobicContact CG2-CG2 4.35Å; T147-T151 WeakPolarHBondContact O-CB 3.48Å; T147-T151 PolarHBondContact O-N 3.29Å; T147-T151 PolarHBondContact O-OG1 3.44Å; I148-T151 WeakPolarHBondContact O-CB 3.34Å; I148-T151 PolarHBondContact O-N 3.49Å; I148-T151 VanDerWaalsContact O-N 3.08Å; P149-T151 PolarHBondContact O-N 2.68Å; T151-V154 PolarHBondContact O-N 3.41Å; T151-F155 HydrophobicContact CG2-CD2 4.11Å; T151-F155 HydrophobicContact CG2-CE2 4.17Å; T151-F155 VanDerWaalsContact O-CD2 3.31Å; T151-F155 WeakPolarHBondContact O-CD2 3.5Å; T151-F155 PolarHBondContact O-N 3.47Å; T151-I166 HydrophobicContact CG2-CD1 4.19Å; T151-I166 HydrophobicContact CG2-CG1 4.31Å; T151-I166 HydrophobicContact CG2-CG2 3.8Å
152	A	98.8	Very high	98.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.3	-47.3	178.6	0	0	0	0	0	112.1	I148 P149 I150 V154 F155 K156 Y161 Y287	I148-A152 PolarHBondContact O-N 2.92Å; P149-A152 PolarHBondContact O-N 2.9Å; I150-A152 VanDerWaalsContact C-N 3.33Å; I150-A152 PolarHBondContact O-N 3.31Å; A152-V154 PolarHBondContact O-N 2.67Å; A152-F155 PolarHBondContact O-N 3.49Å; A152-K156 VanDerWaalsContact O-CG 3.28Å; A152-K156 WeakPolarHBondContact O-CG 3.44Å; A152-K156 PolarHBondContact O-N 3.3Å; A152-Y161 HydrophobicContact CB-CD2 4.21Å; A152-Y161 HydrophobicContact CB-CE2 3.55Å; A152-Y287 HydrophobicContact CB-CE1 3.98Å; A152-Y287 WeakPolarHBondContact CB-OH 3.44Å
153	E	98.7	Very high	98.4	Very high	39 Å²	39	30.3 Å²	30.3	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-37.9	178.1	-67.5	-51.6	121.7	0	0	112.4	P149 I150 K156 K157 E331 V334	P149-E153 WeakPolarHBondContact O-CG 3.26Å; P149-E153 PolarHBondContact O-N 2.86Å; I150-E153 PolarHBondContact O-N 3.34Å; E153-K156 PolarHBondContact O-N 3.02Å; E153-K156 IonicContact OE1-NZ 2.68Å; E153-K156 PolarHBondContact OE1-NZ 2.98Å; E153-K157 PolarHBondContact O-N 3.24Å; E153-E331 HydrophobicContact CG-CB 4.39Å; E153-E331 HydrophobicContact CG-CG 4.24Å; E153-V334 HydrophobicContact CB-CB 3.76Å; E153-V334 HydrophobicContact CB-CG1 3.66Å; E153-V334 HydrophobicContact CB-CG2 3.95Å
154	V	98.7	Very high	98.5	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-63.1	-46.3	174.2	170.3	0	0	0	0	111	A122 A126 I150 T151 A152 K156 K157 H158 V334	A122-V154 HydrophobicContact CB-CG2 4.12Å; A126-V154 HydrophobicContact CB-CG1 3.76Å; I150-V154 HydrophobicContact CG2-CG2 4.35Å; I150-V154 WeakPolarHBondContact O-CB 3.15Å; I150-V154 VanDerWaalsContact O-CG2 3.29Å; I150-V154 WeakPolarHBondContact O-CG2 3.47Å; I150-V154 PolarHBondContact O-N 3.03Å; T151-V154 PolarHBondContact O-N 3.41Å; A152-V154 PolarHBondContact O-N 2.67Å; V154-K156 VanDerWaalsContact C-N 3.32Å; V154-K156 PolarHBondContact O-N 2.87Å; V154-K157 PolarHBondContact O-N 3.3Å; V154-H158 PolarHBondContact O-N 3.47Å; V154-H158 PolarHBondContact O-ND1 2.97Å; V154-V334 HydrophobicContact CG2-CG1 4.16Å; V154-V334 HydrophobicContact CG2-CG2 4.13Å
155	F	98.7	Very high	98.6	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-36.4	175.9	-91	-113.9	0	0	0	112.5	T125 C128 A129 I137 T151 A152 H158 G159 V160 Y161 I166	T125-F155 VanDerWaalsContact O-CE2 3.28Å; T125-F155 WeakPolarHBondContact O-CE2 3.46Å; C128-F155 HydrophobicContact CB-CE2 4.21Å; C128-F155 HydrophobicContact CB-CZ 3.93Å; A129-F155 HydrophobicContact CB-CD1 4.28Å; A129-F155 HydrophobicContact CB-CD2 4.09Å; A129-F155 HydrophobicContact CB-CE1 4.26Å; A129-F155 HydrophobicContact CB-CE2 4.07Å; A129-F155 HydrophobicContact CB-CG 4.2Å; A129-F155 HydrophobicContact CB-CZ 4.14Å; I137-F155 HydrophobicContact CD1-CZ 3.99Å; I137-F155 HydrophobicContact CG1-CE1 4.24Å; I137-F155 HydrophobicContact CG1-CE2 4.3Å; I137-F155 HydrophobicContact CG1-CZ 3.64Å; T151-F155 HydrophobicContact CG2-CD2 4.11Å; T151-F155 HydrophobicContact CG2-CE2 4.17Å; T151-F155 VanDerWaalsContact O-CD2 3.31Å; T151-F155 WeakPolarHBondContact O-CD2 3.5Å; T151-F155 PolarHBondContact O-N 3.47Å; A152-F155 PolarHBondContact O-N 3.49Å; F155-H158 CarbonylContact O-C 3.58Å; F155-H158 PolarHBondContact O-N 3.01Å; F155-G159 PolarHBondContact O-N 3.43Å; F155-V160 HydrophobicContact CD1-CG2 3.92Å; F155-V160 HydrophobicContact CE1-CG2 4.45Å; F155-V160 HydrophobicContact CG-CG2 4.5Å; F155-V160 PolarHBondContact O-N 3.36Å; F155-V160 VanDerWaalsContact O-N 3.15Å; F155-Y161 HydrophobicContact CB-CD2 4.01Å; F155-Y161 PolarHBondContact O-N 3.06Å; F155-I166 HydrophobicContact CB-CD1 4.21Å; F155-I166 HydrophobicContact CD1-CD1 4.1Å; F155-I166 HydrophobicContact CD2-CD1 4.28Å; F155-I166 HydrophobicContact CG-CD1 3.94Å
156	K	98.5	Very high	98.6	Very high	84 Å²	84	33.3 Å²	33.3	37%	0.365	18%	0.18	S	C	.	.	H	α-helix	trans	-64.2	-43.8	174.6	-73.7	173.3	-167.6	170.9	0	111.5	A152 E153 V154 H158 G159 Y161	A152-K156 VanDerWaalsContact O-CG 3.28Å; A152-K156 WeakPolarHBondContact O-CG 3.44Å; A152-K156 PolarHBondContact O-N 3.3Å; E153-K156 PolarHBondContact O-N 3.02Å; E153-K156 IonicContact OE1-NZ 2.68Å; E153-K156 PolarHBondContact OE1-NZ 2.98Å; V154-K156 VanDerWaalsContact C-N 3.32Å; V154-K156 PolarHBondContact O-N 2.87Å; K156-H158 PolarHBondContact O-N 3.47Å; K156-G159 PolarHBondContact O-N 3.33Å; K156-Y161 HydrophobicContact CD-CD1 4.47Å; K156-Y161 HydrophobicContact CG-CD1 3.83Å; K156-Y161 HydrophobicContact CG-CD2 4.34Å; K156-Y161 HydrophobicContact CG-CG 3.68Å
157	K	97.6	Very high	98.6	Very high	115 Å²	115	33.1 Å²	33.1	50%	0.5	18%	0.179	S	C	.	.	H	α-helix	trans	-57.8	-31.4	174.5	-79.2	-172.7	171	-173.6	0	112.7	E153 V154 V334 L337	E153-K157 PolarHBondContact O-N 3.24Å; V154-K157 PolarHBondContact O-N 3.3Å; K157-V334 HydrophobicContact CD-CG1 3.96Å; K157-V334 PolarHBondContact NZ-O 2.95Å; K157-L337 PolarHBondContact NZ-O 3.46Å
158	H	98.2	Very high	98.6	Very high	72 Å²	72	33.1 Å²	33.1	33%	0.333	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.5	176.2	-68.7	79	0	0	0	113.7	A129 V154 F155 K156 V160	A129-H158 HydrophobicContact CB-CB 3.83Å; V154-H158 PolarHBondContact O-N 3.47Å; V154-H158 PolarHBondContact O-ND1 2.97Å; F155-H158 CarbonylContact O-C 3.58Å; F155-H158 PolarHBondContact O-N 3.01Å; K156-H158 PolarHBondContact O-N 3.47Å; H158-V160 VanDerWaalsContact C-N 3.27Å; H158-V160 HydrophobicContact CB-CG2 3.87Å; H158-V160 PolarHBondContact O-N 2.93Å
159	G	98.5	Very high	98.7	Very high	68 Å²	68	33.1 Å²	33.1	70%	0.701	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	71	15.6	178.7	0	0	0	0	0	115.3	F155 K156	F155-G159 PolarHBondContact O-N 3.43Å; K156-G159 PolarHBondContact O-N 3.33Å
160	V	98.7	Very high	98.7	Very high	46 Å²	46	33.2 Å²	33.2	28%	0.279	18%	0.18	S	C	.	.			trans	-121.2	17.1	-173	-64.6	0	0	0	0	113	A129 P133 F155 H158 N162	A129-V160 HydrophobicContact CB-CG2 3.71Å; P133-V160 HydrophobicContact CB-CB 3.76Å; P133-V160 HydrophobicContact CB-CG1 3.91Å; P133-V160 HydrophobicContact CB-CG2 3.99Å; F155-V160 HydrophobicContact CD1-CG2 3.92Å; F155-V160 HydrophobicContact CE1-CG2 4.45Å; F155-V160 HydrophobicContact CG-CG2 4.5Å; F155-V160 PolarHBondContact O-N 3.36Å; F155-V160 VanDerWaalsContact O-N 3.15Å; H158-V160 VanDerWaalsContact C-N 3.27Å; H158-V160 HydrophobicContact CB-CG2 3.87Å; H158-V160 PolarHBondContact O-N 2.93Å; V160-N162 PolarHBondContact O-N 3.12Å
161	Y	98.8	Very high	98.7	Very high	58 Å²	58	33.2 Å²	33.2	23%	0.227	18%	0.18	C	C	.	.			trans	-68.1	117.1	-177.7	177.6	-113.6	0	0	0	112.5	A152 F155 K156 P163 I166 K279	A152-Y161 HydrophobicContact CB-CD2 4.21Å; A152-Y161 HydrophobicContact CB-CE2 3.55Å; F155-Y161 HydrophobicContact CB-CD2 4.01Å; F155-Y161 PolarHBondContact O-N 3.06Å; K156-Y161 HydrophobicContact CD-CD1 4.47Å; K156-Y161 HydrophobicContact CG-CD1 3.83Å; K156-Y161 HydrophobicContact CG-CD2 4.34Å; K156-Y161 HydrophobicContact CG-CG 3.68Å; Y161-P163 HydrophobicContact CE1-CB 4Å; Y161-P163 HydrophobicContact CE1-CG 4.29Å; Y161-P163 WeakPolarHBondContact OH-CB 3.3Å; Y161-I166 HydrophobicContact CD2-CD1 3.69Å; Y161-I166 HydrophobicContact CE2-CD1 3.7Å; Y161-K279 WeakPolarHBondContact OH-CB 3.36Å
162	N	98.6	Very high	98.7	Very high	52 Å²	52	33.4 Å²	33.4	28%	0.278	18%	0.181	S	C	.	.			trans	-117.8	110.2	166.7	-175	-17.4	0	0	0	109.6	V160 N164 K165	V160-N162 PolarHBondContact O-N 3.12Å; N162-N164 PolarHBondContact O-N 2.96Å; N162-N164 VanDerWaalsContact O-N 3.14Å; N162-N164 WeakPolarHBondContact OD1-CB 3.38Å; N162-N164 PolarHBondContact OD1-N 3.43Å; N162-K165 HydrophobicContact CB-CB 4.49Å; N162-K165 HydrophobicContact CB-CG 4.36Å; N162-K165 PolarHBondContact O-N 3.42Å; N162-K165 VanDerWaalsContact O-N 3.16Å
163	P	98.6	Very high	98.6	Very high	46 Å²	46	33.5 Å²	33.5	30%	0.299	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-61.7	-23.1	-177.9	25.2	-34.2	0	0	0	113.3	Y161 K165 K279	Y161-P163 HydrophobicContact CE1-CB 4Å; Y161-P163 HydrophobicContact CE1-CG 4.29Å; Y161-P163 WeakPolarHBondContact OH-CB 3.3Å; P163-K165 PolarHBondContact O-N 2.88Å; P163-K279 HydrophobicContact CB-CB 3.97Å; P163-K279 HydrophobicContact CB-CG 4.22Å
164	N	98.7	Very high	98.7	Very high	69 Å²	69	31.8 Å²	31.8	37%	0.369	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-79.8	-4.5	-177.8	-64.6	-3.1	0	0	0	113.1	N162 F167 G298 I299	N162-N164 PolarHBondContact O-N 2.96Å; N162-N164 VanDerWaalsContact O-N 3.14Å; N162-N164 WeakPolarHBondContact OD1-CB 3.38Å; N162-N164 PolarHBondContact OD1-N 3.43Å; N164-F167 VanDerWaalsContact O-CZ 3.27Å; N164-F167 WeakPolarHBondContact O-CZ 3.18Å; N164-G298 CarbonylContact O-C 3.5Å; N164-G298 WeakPolarHBondContact O-CA 3.49Å; N164-I299 HydrophobicContact CB-CB 4.08Å; N164-I299 PolarHBondContact ND2-O 3.33Å; N164-I299 PolarHBondContact O-N 3.31Å
165	K	98.8	Very high	98.7	Very high	28 Å²	28	32.3 Å²	32.3	12%	0.122	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-118.6	3.9	-175.5	-61.7	-167.1	172.6	-177.3	0	114.5	E134 M136 I137 N162 P163	E134-K165 WeakPolarHBondContact O-CD 3.42Å; E134-K165 PolarHBondContact O-NZ 3.18Å; E134-K165 IonicContact OE2-NZ 2.57Å; E134-K165 PolarHBondContact OE2-NZ 3.14Å; M136-K165 CarbonylContact C-O 3.55Å; M136-K165 WeakPolarHBondContact CA-O 3.42Å; M136-K165 HydrophobicContact CE-CD 4.47Å; M136-K165 HydrophobicContact CE-CG 4.32Å; M136-K165 HydrophobicContact SD-CB 3.88Å; M136-K165 HydrophobicContact SD-CD 4.11Å; M136-K165 HydrophobicContact SD-CG 3.66Å; I137-K165 PolarHBondContact N-O 3.19Å; N162-K165 HydrophobicContact CB-CB 4.49Å; N162-K165 HydrophobicContact CB-CG 4.36Å; N162-K165 PolarHBondContact O-N 3.42Å; N162-K165 VanDerWaalsContact O-N 3.16Å; P163-K165 PolarHBondContact O-N 2.88Å
166	I	98.9	Very high	98.7	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.7	-179.2	-68	164.5	0	0	0	109.3	I137 I148 T151 F155 Y161	I137-I166 HydrophobicContact CB-CG1 4.19Å; I137-I166 HydrophobicContact CG1-CG1 4.34Å; I148-I166 HydrophobicContact CD1-CG2 3.77Å; T151-I166 HydrophobicContact CG2-CD1 4.19Å; T151-I166 HydrophobicContact CG2-CG1 4.31Å; T151-I166 HydrophobicContact CG2-CG2 3.8Å; F155-I166 HydrophobicContact CB-CD1 4.21Å; F155-I166 HydrophobicContact CD1-CD1 4.1Å; F155-I166 HydrophobicContact CD2-CD1 4.28Å; F155-I166 HydrophobicContact CG-CD1 3.94Å; Y161-I166 HydrophobicContact CD2-CD1 3.69Å; Y161-I166 HydrophobicContact CE2-CD1 3.7Å
167	F	98.9	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	123.8	-168.5	-59.2	-85.6	0	0	0	111.5	M136 I137 C138 V139 N164 F258 L262 S276 V278 L292 L294 I299	M136-F167 HydrophobicContact CB-CE2 4.21Å; M136-F167 HydrophobicContact SD-CE2 4Å; I137-F167 PolarHBondContact O-N 3.31Å; C138-F167 CarbonylContact C-O 3.6Å; C138-F167 WeakPolarHBondContact CA-O 3.31Å; V139-F167 PolarHBondContact N-O 3.06Å; N164-F167 VanDerWaalsContact O-CZ 3.27Å; N164-F167 WeakPolarHBondContact O-CZ 3.18Å; F167-F258 HydrophobicContact CB-CE1 3.64Å; F167-F258 HydrophobicContact CB-CZ 3.77Å; F167-F258 HydrophobicContact CD1-CE1 4.32Å; F167-F258 AromaticContact CD1-CZ 3.76Å; F167-F258 HydrophobicContact CD1-CZ 3.76Å; F167-F258 AromaticContact CG-CE1 3.98Å; F167-F258 HydrophobicContact CG-CE1 3.98Å; F167-F258 AromaticContact CG-CZ 3.89Å; F167-F258 HydrophobicContact CG-CZ 3.89Å; F167-L262 HydrophobicContact CD2-CD1 4.29Å; F167-L262 HydrophobicContact CE1-CD2 4.25Å; F167-L262 HydrophobicContact CE2-CD1 4.4Å; F167-L262 HydrophobicContact CE2-CD2 3.88Å; F167-L262 HydrophobicContact CZ-CD2 3.73Å; F167-S276 WeakPolarHBondContact CB-OG 3.31Å; F167-V278 HydrophobicContact CD1-CG1 3.91Å; F167-L292 HydrophobicContact CE1-CD1 4.45Å; F167-L294 HydrophobicContact CE1-CD2 3.96Å; F167-L294 HydrophobicContact CZ-CD2 4.4Å; F167-I299 HydrophobicContact CD1-CG1 4.38Å; F167-I299 HydrophobicContact CE1-CD1 4.01Å; F167-I299 HydrophobicContact CE1-CG1 3.39Å; F167-I299 HydrophobicContact CZ-CG1 3.8Å
168	G	98.9	Very high	98.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	118.1	164.5	0	0	0	0	0	109.3	T170 S276 F277	G168-T170 PolarHBondContact O-N 3.39Å; G168-S276 PolarHBondContact N-OG 2.93Å; G168-S276 PolarHBondContact O-OG 2.89Å; G168-F277 WeakPolarHBondContact CA-O 3.15Å; G168-F277 PolarHBondContact N-O 3.19Å; G168-F277 PolarHBondContact O-N 3.24Å
169	V	98.8	Very high	98.8	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.012	14%	0.14	C	C	.	.			trans	-77.7	97	-175.2	-176	0	0	0	0	109.6	C138 V139 I140 M251 F258	C138-V169 HydrophobicContact CB-CG2 3.86Å; V139-V169 PolarHBondContact O-N 2.94Å; I140-V169 HydrophobicContact CG1-CB 3.79Å; I140-V169 HydrophobicContact CG1-CG1 4.22Å; I140-V169 HydrophobicContact CG1-CG2 3.78Å; V169-M251 HydrophobicContact CG1-CE 3.83Å; V169-F258 HydrophobicContact CG1-CB 4.22Å; V169-F258 HydrophobicContact CG1-CD1 4.44Å; V169-F258 HydrophobicContact CG1-CG 4.33Å; V169-F258 HydrophobicContact CG2-CD1 3.87Å; V169-F258 HydrophobicContact CG2-CE1 4.22Å
170	T	98.8	Very high	98.8	Very high	2 Å²	2	21 Å²	21	1%	0.012	11%	0.111	C	C	.	.			trans	-97.3	2.9	175.9	56.3	0	0	0	0	112.8	G168 L172 D173 I174 H200 C275 F277 S289	G168-T170 PolarHBondContact O-N 3.39Å; T170-L172 PolarHBondContact O-N 2.88Å; T170-D173 WeakPolarHBondContact O-CB 3.16Å; T170-D173 PolarHBondContact O-N 2.93Å; T170-I174 VanDerWaalsContact O-CD1 3.29Å; T170-I174 WeakPolarHBondContact O-CD1 3.26Å; T170-H200 HydrophobicContact CG2-CB 4.12Å; T170-C275 PolarHBondContact OG1-O 3.03Å; T170-F277 HydrophobicContact CG2-CB 3.78Å; T170-S289 PolarHBondContact OG1-OG 3.18Å
171	T	98.9	Very high	98.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-53.9	-27.7	-173.3	-45.5	0	0	0	0	113.9	D173 I174 V175 A254 R257 F258	T171-D173 VanDerWaalsContact C-N 3.26Å; T171-D173 PolarHBondContact O-N 3.24Å; T171-I174 PolarHBondContact O-N 3.32Å; T171-V175 HydrophobicContact CG2-CG2 4.38Å; T171-V175 VanDerWaalsContact O-CG2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.32Å; T171-V175 PolarHBondContact O-N 3.23Å; T171-A254 HydrophobicContact CG2-CB 4.26Å; T171-A254 WeakPolarHBondContact CG2-O 3.49Å; T171-R257 HydrophobicContact CG2-CG 4.38Å; T171-F258 WeakPolarHBondContact OG1-CB 3.27Å; T171-F258 WeakPolarHBondContact OG1-CD2 3.33Å
172	L	98.7	Very high	98.8	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.021	9%	0.087	C	C	.	.	H	α-helix	trans	-63.9	-32	177.2	-177.3	59.4	0	0	0	112.4	T170 V175 R176 A247 M251 A254	T170-L172 PolarHBondContact O-N 2.88Å; L172-V175 PolarHBondContact O-N 3.45Å; L172-R176 HydrophobicContact CD1-CG 4.48Å; L172-R176 WeakPolarHBondContact O-CB 3.14Å; L172-R176 WeakPolarHBondContact O-CD 3.05Å; L172-R176 VanDerWaalsContact O-CG 3.27Å; L172-R176 WeakPolarHBondContact O-CG 3.36Å; L172-R176 PolarHBondContact O-N 2.72Å; L172-A247 HydrophobicContact CD2-CB 4.16Å; L172-M251 HydrophobicContact CB-CE 4.37Å; L172-M251 HydrophobicContact CB-SD 3.84Å; L172-M251 HydrophobicContact CD2-CB 4.17Å; L172-M251 HydrophobicContact CD2-SD 3.69Å; L172-M251 HydrophobicContact CG-SD 4.36Å; L172-A254 HydrophobicContact CB-CB 3.89Å; L172-A254 HydrophobicContact CD1-CB 4.2Å
173	D	98.7	Very high	98.8	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-70.2	-38.2	177.6	-57	-26.7	0	0	0	110.9	T170 T171 R176 A177 V196 H200 I205	T170-D173 WeakPolarHBondContact O-CB 3.16Å; T170-D173 PolarHBondContact O-N 2.93Å; T171-D173 VanDerWaalsContact C-N 3.26Å; T171-D173 PolarHBondContact O-N 3.24Å; D173-R176 PolarHBondContact O-N 2.91Å; D173-R176 IonicContact OD1-NH1 3.93Å; D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.28Å; D173-A177 PolarHBondContact O-N 2.8Å; D173-V196 HydrophobicContact CB-CB 4.43Å; D173-V196 HydrophobicContact CB-CG1 3.95Å; D173-H200 VanDerWaalsContact CG-ND1 3.28Å; D173-H200 IonicContact OD1-CE1 3.26Å; D173-H200 PolarHBondContact OD1-CE1 3.21Å; D173-H200 IonicContact OD1-ND1 3.72Å; D173-H200 PolarHBondContact OD1-ND1 3.35Å; D173-H200 IonicContact OD2-CE1 2.67Å; D173-H200 PolarHBondContact OD2-CE1 3.37Å; D173-H200 IonicContact OD2-CG 3.64Å; D173-H200 IonicContact OD2-ND1 3.98Å; D173-H200 PolarHBondContact OD2-ND1 2.55Å; D173-I205 HydrophobicContact CB-CG2 3.95Å
174	I	98.8	Very high	98.8	Very high	3 Å²	3	21 Å²	21	2%	0.015	11%	0.106	C	C	.	.	H	α-helix	trans	-65.6	-45.4	174.8	-65.8	78.8	0	0	0	109.5	T170 T171 R176 A177 N178 V196 C275	T170-I174 VanDerWaalsContact O-CD1 3.29Å; T170-I174 WeakPolarHBondContact O-CD1 3.26Å; T171-I174 PolarHBondContact O-N 3.32Å; I174-R176 VanDerWaalsContact C-N 3.34Å; I174-R176 PolarHBondContact O-N 3.27Å; I174-A177 PolarHBondContact O-N 3.2Å; I174-N178 WeakPolarHBondContact O-CB 3.49Å; I174-N178 PolarHBondContact O-N 2.97Å; I174-N178 PolarHBondContact O-OD1 3.44Å; I174-V196 HydrophobicContact CD1-CB 3.86Å; I174-V196 HydrophobicContact CD1-CG2 4.33Å; I174-V196 HydrophobicContact CG1-CB 3.94Å; I174-V196 HydrophobicContact CG1-CG2 3.96Å; I174-C275 HydrophobicContact CD1-CB 3.65Å; I174-C275 HydrophobicContact CG1-CB 3.99Å
175	V	98.8	Very high	98.7	Very high	19 Å²	19	21.3 Å²	21.3	12%	0.115	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-46.3	176.4	169.9	0	0	0	0	110.7	T171 L172 N178 T179 Y253 A254	T171-V175 HydrophobicContact CG2-CG2 4.38Å; T171-V175 VanDerWaalsContact O-CG2 3.31Å; T171-V175 WeakPolarHBondContact O-CG2 3.32Å; T171-V175 PolarHBondContact O-N 3.23Å; L172-V175 PolarHBondContact O-N 3.45Å; V175-N178 PolarHBondContact O-N 3.31Å; V175-T179 PolarHBondContact O-N 3.32Å; V175-T179 PolarHBondContact O-OG1 2.95Å; V175-T179 VanDerWaalsContact O-OG1 3.07Å; V175-Y253 HydrophobicContact CG1-CD1 4.16Å; V175-Y253 HydrophobicContact CG1-CE1 4.05Å; V175-Y253 HydrophobicContact CG2-CD1 4.18Å; V175-Y253 HydrophobicContact CG2-CE1 3.87Å; V175-A254 HydrophobicContact CG2-CB 4.2Å
176	R	98.7	Very high	98.7	Very high	28 Å²	28	23.4 Å²	23.4	11%	0.106	13%	0.134	C	C	.	.	H	α-helix	trans	-62.2	-46.5	175.9	-76	162.7	165.9	157.6	-2.2	112.4	L172 D173 I174 N178 T179 F180 A233	L172-R176 HydrophobicContact CD1-CG 4.48Å; L172-R176 WeakPolarHBondContact O-CB 3.14Å; L172-R176 WeakPolarHBondContact O-CD 3.05Å; L172-R176 VanDerWaalsContact O-CG 3.27Å; L172-R176 WeakPolarHBondContact O-CG 3.36Å; L172-R176 PolarHBondContact O-N 2.72Å; D173-R176 PolarHBondContact O-N 2.91Å; D173-R176 IonicContact OD1-NH1 3.93Å; I174-R176 VanDerWaalsContact C-N 3.34Å; I174-R176 PolarHBondContact O-N 3.27Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-N178 PolarHBondContact O-N 3.32Å; R176-T179 PolarHBondContact O-N 2.98Å; R176-F180 HydrophobicContact CB-CD2 4.47Å; R176-F180 HydrophobicContact CB-CE2 4Å; R176-F180 HydrophobicContact CB-CZ 4.27Å; R176-F180 HydrophobicContact CG-CE2 4.48Å; R176-F180 HydrophobicContact CG-CZ 4.36Å; R176-F180 WeakPolarHBondContact O-CB 3.32Å; R176-F180 WeakPolarHBondContact O-CD2 3.29Å; R176-F180 WeakPolarHBondContact O-CG 3.36Å; R176-F180 PolarHBondContact O-N 3.42Å; R176-A233 HydrophobicContact CG-CB 4.32Å
177	A	98.9	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-46.2	178.5	0	0	0	0	0	111.3	D173 I174 T179 F180 V181 V194 V196 I230	D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.28Å; D173-A177 PolarHBondContact O-N 2.8Å; I174-A177 PolarHBondContact O-N 3.2Å; A177-T179 PolarHBondContact O-N 3.37Å; A177-F180 PolarHBondContact O-N 3.47Å; A177-V181 WeakPolarHBondContact O-CB 3.46Å; A177-V181 WeakPolarHBondContact O-CG2 3.37Å; A177-V181 PolarHBondContact O-N 3.14Å; A177-V194 HydrophobicContact CB-CB 3.86Å; A177-V194 HydrophobicContact CB-CG1 3.96Å; A177-V194 HydrophobicContact CB-CG2 4.32Å; A177-V196 HydrophobicContact CB-CG2 3.88Å; A177-I230 HydrophobicContact CB-CD1 3.76Å; A177-I230 HydrophobicContact CB-CG1 4.33Å; A177-I230 HydrophobicContact CB-CG2 4.5Å
178	N	98.8	Very high	98.6	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-47.6	176.5	-66.2	-4.4	0	0	0	111.6	I174 V175 R176 A182 V192 N193 V194	I174-N178 WeakPolarHBondContact O-CB 3.49Å; I174-N178 PolarHBondContact O-N 2.97Å; I174-N178 PolarHBondContact O-OD1 3.44Å; V175-N178 PolarHBondContact O-N 3.31Å; R176-N178 VanDerWaalsContact C-N 3.34Å; R176-N178 PolarHBondContact O-N 3.32Å; N178-A182 WeakPolarHBondContact O-CB 3.4Å; N178-A182 PolarHBondContact O-N 3.45Å; N178-V192 HydrophobicContact CB-CB 4.35Å; N178-V192 HydrophobicContact CB-CG1 4.23Å; N178-V192 PolarHBondContact ND2-O 3Å; N178-V192 PolarHBondContact OD1-O 3.26Å; N178-N193 WeakPolarHBondContact OD1-CA 3.49Å; N178-V194 PolarHBondContact OD1-N 2.68Å
179	T	98.8	Very high	98.6	Very high	48 Å²	48	33.5 Å²	33.5	29%	0.294	19%	0.191	S	C	.	.	H	α-helix	trans	-60.1	-50.4	178.1	-63.2	0	0	0	0	111.7	V175 R176 A177 A182 E183	V175-T179 PolarHBondContact O-N 3.32Å; V175-T179 PolarHBondContact O-OG1 2.95Å; V175-T179 VanDerWaalsContact O-OG1 3.07Å; R176-T179 PolarHBondContact O-N 2.98Å; A177-T179 PolarHBondContact O-N 3.37Å; T179-A182 PolarHBondContact O-N 3.27Å; T179-E183 HydrophobicContact CG2-CG 4.48Å; T179-E183 WeakPolarHBondContact CG2-OE1 3.28Å; T179-E183 WeakPolarHBondContact O-CG 3.44Å; T179-E183 PolarHBondContact O-N 3.41Å
180	F	98.7	Very high	98.6	Very high	19 Å²	19	37.3 Å²	37.3	8%	0.083	22%	0.223	C	C	.	.	H	α-helix	trans	-70.6	-36.8	-175.2	-58.6	-21.3	0	0	0	112.8	R176 A177 L184 L226 R229 I230 A233	R176-F180 HydrophobicContact CB-CD2 4.47Å; R176-F180 HydrophobicContact CB-CE2 4Å; R176-F180 HydrophobicContact CB-CZ 4.27Å; R176-F180 HydrophobicContact CG-CE2 4.48Å; R176-F180 HydrophobicContact CG-CZ 4.36Å; R176-F180 WeakPolarHBondContact O-CB 3.32Å; R176-F180 WeakPolarHBondContact O-CD2 3.29Å; R176-F180 WeakPolarHBondContact O-CG 3.36Å; R176-F180 PolarHBondContact O-N 3.42Å; A177-F180 PolarHBondContact O-N 3.47Å; F180-L184 WeakPolarHBondContact O-CG 3.39Å; F180-L184 PolarHBondContact O-N 2.65Å; F180-L184 VanDerWaalsContact O-N 3.13Å; F180-L226 HydrophobicContact CB-CD1 3.57Å; F180-R229 HydrophobicContact CD2-CG 4.09Å; F180-R229 HydrophobicContact CE2-CG 3.86Å; F180-R229 HydrophobicContact CZ-CG 4.4Å; F180-I230 HydrophobicContact CD2-CG1 3.77Å; F180-I230 HydrophobicContact CE2-CG1 4.39Å; F180-A233 HydrophobicContact CE2-CB 3.98Å; F180-A233 HydrophobicContact CZ-CB 4.11Å
181	V	98.7	Very high	98.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-44.6	172.5	167.6	0	0	0	0	110.6	A177 L184 K185 V192 V194 I209 V216 F218 L226	A177-V181 WeakPolarHBondContact O-CB 3.46Å; A177-V181 WeakPolarHBondContact O-CG2 3.37Å; A177-V181 PolarHBondContact O-N 3.14Å; V181-L184 PolarHBondContact O-N 3.37Å; V181-K185 WeakPolarHBondContact O-CB 3.2Å; V181-K185 PolarHBondContact O-N 2.8Å; V181-V192 HydrophobicContact CB-CG1 4.04Å; V181-V192 HydrophobicContact CG1-CG1 3.82Å; V181-V194 HydrophobicContact CB-CG2 4.34Å; V181-V194 HydrophobicContact CG2-CG2 3.86Å; V181-I209 HydrophobicContact CG2-CD1 3.93Å; V181-V216 HydrophobicContact CG1-CG1 3.96Å; V181-V216 HydrophobicContact CG1-CG2 4.13Å; V181-F218 HydrophobicContact CG1-CE2 4.42Å; V181-F218 HydrophobicContact CG2-CE2 4.41Å; V181-L226 HydrophobicContact CG2-CD2 3.73Å
182	A	98.7	Very high	98.5	Very high	2 Å²	2	47 Å²	47	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-61.9	-45.9	179	0	0	0	0	0	112.1	N178 T179 L184 K185 G186 L187 P189 V192	N178-A182 WeakPolarHBondContact O-CB 3.4Å; N178-A182 PolarHBondContact O-N 3.45Å; T179-A182 PolarHBondContact O-N 3.27Å; A182-L184 PolarHBondContact O-N 3.3Å; A182-K185 PolarHBondContact O-N 2.91Å; A182-G186 WeakPolarHBondContact O-CA 3.36Å; A182-G186 PolarHBondContact O-N 3.28Å; A182-L187 HydrophobicContact CB-CB 4.38Å; A182-L187 PolarHBondContact O-N 3.03Å; A182-P189 HydrophobicContact CB-CB 3.7Å; A182-P189 HydrophobicContact CB-CG 4.44Å; A182-V192 HydrophobicContact CB-CG2 3.86Å
183	E	98.5	Very high	98.5	Very high	113 Å²	113	50.3 Å²	50.3	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-54.5	-50.1	174.7	-77.3	172.1	-175	0	0	111.7	T179 K185 R229	T179-E183 HydrophobicContact CG2-CG 4.48Å; T179-E183 WeakPolarHBondContact CG2-OE1 3.28Å; T179-E183 WeakPolarHBondContact O-CG 3.44Å; T179-E183 PolarHBondContact O-N 3.41Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.32Å; E183-R229 IonicContact OE2-CZ 3.79Å; E183-R229 IonicContact OE2-NH1 3.07Å; E183-R229 PolarHBondContact OE2-NH1 2.87Å; E183-R229 IonicContact OE2-NH2 3.54Å
184	L	98.3	Very high	98.6	Very high	86 Å²	86	50.2 Å²	50.2	45%	0.45	28%	0.278	S	S	.	.	H	α-helix	trans	-72.4	-22.8	-176.3	-69.6	172.6	0	0	0	113.8	F180 V181 A182 F218 L226	F180-L184 WeakPolarHBondContact O-CG 3.39Å; F180-L184 PolarHBondContact O-N 2.65Å; F180-L184 VanDerWaalsContact O-N 3.13Å; V181-L184 PolarHBondContact O-N 3.37Å; A182-L184 PolarHBondContact O-N 3.3Å; L184-F218 HydrophobicContact CB-CE1 3.71Å; L184-F218 HydrophobicContact CB-CZ 3.84Å; L184-F218 HydrophobicContact CD1-CE1 3.94Å; L184-F218 HydrophobicContact CD1-CZ 4.12Å; L184-F218 HydrophobicContact CG-CE1 4.46Å; L184-L226 HydrophobicContact CD1-CB 4.23Å; L184-L226 HydrophobicContact CD1-CD1 3.92Å; L184-L226 HydrophobicContact CD1-CD2 4.25Å; L184-L226 HydrophobicContact CD1-CG 4.35Å
185	K	98.1	Very high	98.6	Very high	77 Å²	77	50.7 Å²	50.7	34%	0.335	28%	0.281	S	S	.	.	H	α-helix	trans	-105.4	0.2	-179.6	-67.9	-57.1	-168.6	-170.9	0	114.3	V181 A182 E183 L187 V216 D217 F218	V181-K185 WeakPolarHBondContact O-CB 3.2Å; V181-K185 PolarHBondContact O-N 2.8Å; A182-K185 PolarHBondContact O-N 2.91Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 3.32Å; K185-L187 HydrophobicContact CB-CD1 3.81Å; K185-L187 HydrophobicContact CB-CG 3.72Å; K185-L187 PolarHBondContact O-N 3.23Å; K185-V216 HydrophobicContact CG-CB 4.29Å; K185-V216 HydrophobicContact CG-CG1 3.97Å; K185-D217 VanDerWaalsContact CE-O 3.29Å; K185-D217 WeakPolarHBondContact CE-O 3.45Å; K185-D217 PolarHBondContact NZ-O 2.75Å; K185-F218 HydrophobicContact CD-CE1 4.01Å; K185-F218 HydrophobicContact CD-CZ 3.94Å; K185-F218 VanDerWaalsContact CE-CE1 3.44Å; K185-F218 VanDerWaalsContact CE-CZ 3.48Å; K185-F218 HydrophobicContact CG-CE1 4.19Å; K185-F218 HydrophobicContact CG-CE2 4.23Å; K185-F218 HydrophobicContact CG-CZ 3.63Å
186	G	98.1	Very high	98.6	Very high	72 Å²	72	49.9 Å²	49.9	74%	0.742	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	34.8	-176	0	0	0	0	0	112.7	A182	A182-G186 WeakPolarHBondContact O-CA 3.36Å; A182-G186 PolarHBondContact O-N 3.28Å
187	L	98.3	Very high	98.6	Very high	65 Å²	65	48.6 Å²	48.6	34%	0.34	27%	0.271	S	S	.	.			trans	-99.4	162.1	179.4	-56.4	175.7	0	0	0	110.6	A182 K185 P189 V192 P214 V216	A182-L187 HydrophobicContact CB-CB 4.38Å; A182-L187 PolarHBondContact O-N 3.03Å; K185-L187 HydrophobicContact CB-CD1 3.81Å; K185-L187 HydrophobicContact CB-CG 3.72Å; K185-L187 PolarHBondContact O-N 3.23Å; L187-P189 WeakPolarHBondContact O-CD 3.3Å; L187-V192 HydrophobicContact CB-CG2 3.99Å; L187-V192 HydrophobicContact CD1-CG2 3.96Å; L187-P214 HydrophobicContact CD1-CG 3.92Å; L187-V216 HydrophobicContact CD1-CG1 4.19Å
188	D	98.4	Very high	98.6	Very high	89 Å²	89	48.6 Å²	48.6	48%	0.476	27%	0.271	S	S	.	.			trans	-73.3	119.4	165.8	175	5.4	0	0	0	109.7	A190 R191	D188-A190 PolarHBondContact O-N 3.42Å; D188-A190 VanDerWaalsContact O-N 3.14Å; D188-A190 WeakPolarHBondContact OD1-CB 3.48Å; D188-A190 PolarHBondContact OD1-N 3.01Å; D188-R191 HydrophobicContact CB-CG 4.27Å; D188-R191 PolarHBondContact O-N 3.49Å
189	P	98.3	Very high	98.5	Very high	63 Å²	63	48.1 Å²	48.1	41%	0.409	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-60.2	-23.1	179.3	25	-34.8	0	0	0	113.8	A182 L187 R191 V192	A182-P189 HydrophobicContact CB-CB 3.7Å; A182-P189 HydrophobicContact CB-CG 4.44Å; L187-P189 WeakPolarHBondContact O-CD 3.3Å; P189-R191 PolarHBondContact O-N 3.14Å; P189-V192 PolarHBondContact O-N 3.19Å
190	A	98.2	Very high	98.5	Very high	83 Å²	83	47 Å²	47	69%	0.686	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-68.8	-14.9	174.5	0	0	0	0	0	113.2	D188	D188-A190 PolarHBondContact O-N 3.42Å; D188-A190 VanDerWaalsContact O-N 3.14Å; D188-A190 WeakPolarHBondContact OD1-CB 3.48Å; D188-A190 PolarHBondContact OD1-N 3.01Å
191	R	98.2	Very high	98.3	Very high	199 Å²	199	47.6 Å²	47.6	75%	0.751	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-107.2	1.4	178.6	-60.5	-62.9	-171.2	152.7	1.9	113.4	D188 P189 P214	D188-R191 HydrophobicContact CB-CG 4.27Å; D188-R191 PolarHBondContact O-N 3.49Å; P189-R191 PolarHBondContact O-N 3.14Å; R191-P214 VanDerWaalsContact O-CD 3.24Å; R191-P214 WeakPolarHBondContact O-CD 3.45Å
192	V	98.7	Very high	98.1	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.036	28%	0.28	C	S	.	.			trans	-99.4	133.3	177.3	178.9	0	0	0	0	109.9	N178 V181 A182 L187 P189 V194 T213	N178-V192 HydrophobicContact CB-CB 4.35Å; N178-V192 HydrophobicContact CB-CG1 4.23Å; N178-V192 PolarHBondContact ND2-O 3Å; N178-V192 PolarHBondContact OD1-O 3.26Å; V181-V192 HydrophobicContact CB-CG1 4.04Å; V181-V192 HydrophobicContact CG1-CG1 3.82Å; A182-V192 HydrophobicContact CB-CG2 3.86Å; L187-V192 HydrophobicContact CB-CG2 3.99Å; L187-V192 HydrophobicContact CD1-CG2 3.96Å; P189-V192 PolarHBondContact O-N 3.19Å; V192-V194 HydrophobicContact CG1-CG2 4.11Å; V192-T213 CarbonylContact C-O 3.54Å; V192-T213 WeakPolarHBondContact CA-O 3.36Å
193	N	98.7	Very high	98.1	Very high	73 Å²	73	53 Å²	53	39%	0.39	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-135.4	113	172.4	-168.4	-76.4	0	0	0	110	N178 C212 T213	N178-N193 WeakPolarHBondContact OD1-CA 3.49Å; N193-C212 CarbonylContact O-C 3.58Å; N193-C212 WeakPolarHBondContact O-CA 3.48Å; N193-T213 PolarHBondContact N-O 2.83Å; N193-T213 PolarHBondContact O-N 3.26Å
194	V	98.8	Very high	98.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.273	C	S	.	.			trans	-111.6	115.9	174.5	-179.7	0	0	0	0	108.4	A177 N178 V181 V192 V196 P207 I209 C212	A177-V194 HydrophobicContact CB-CB 3.86Å; A177-V194 HydrophobicContact CB-CG1 3.96Å; A177-V194 HydrophobicContact CB-CG2 4.32Å; N178-V194 PolarHBondContact OD1-N 2.68Å; V181-V194 HydrophobicContact CB-CG2 4.34Å; V181-V194 HydrophobicContact CG2-CG2 3.86Å; V192-V194 HydrophobicContact CG1-CG2 4.11Å; V194-V196 HydrophobicContact CG1-CG2 4.45Å; V194-V196 PolarHBondContact O-N 3.46Å; V194-P207 HydrophobicContact CG1-CB 4.31Å; V194-I209 HydrophobicContact CG1-CD1 3.82Å; V194-I209 HydrophobicContact CG2-CD1 4.48Å; V194-C212 HydrophobicContact CG2-CB 4.06Å
195	P	98.8	Very high	98.1	Very high	12 Å²	12	44 Å²	44	8%	0.078	25%	0.254	C	S	.	.			trans	-61.1	132.6	168.1	-22.5	34.5	0	0	0	110.7	L208 Q211 P291	P195-L208 HydrophobicContact CB-CB 4.35Å; P195-L208 HydrophobicContact CB-CD1 4.44Å; P195-L208 WeakPolarHBondContact O-CB 3.38Å; P195-L208 PolarHBondContact O-N 2.93Å; P195-Q211 HydrophobicContact CG-CB 4.01Å; P195-P291 HydrophobicContact CB-CG 4.11Å
196	V	98.9	Very high	98.1	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.9	173.8	-175.1	0	0	0	0	108.8	D173 I174 A177 V194 I205 I206 P207 S289	D173-V196 HydrophobicContact CB-CB 4.43Å; D173-V196 HydrophobicContact CB-CG1 3.95Å; I174-V196 HydrophobicContact CD1-CB 3.86Å; I174-V196 HydrophobicContact CD1-CG2 4.33Å; I174-V196 HydrophobicContact CG1-CB 3.94Å; I174-V196 HydrophobicContact CG1-CG2 3.96Å; A177-V196 HydrophobicContact CB-CG2 3.88Å; V194-V196 HydrophobicContact CG1-CG2 4.45Å; V194-V196 PolarHBondContact O-N 3.46Å; V196-I205 HydrophobicContact CG1-CG2 3.63Å; V196-I206 WeakPolarHBondContact CA-O 3.2Å; V196-P207 HydrophobicContact CG2-CB 4.18Å; V196-S289 PolarHBondContact O-OG 2.94Å
197	I	98.9	Very high	98.1	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	178	-174.1	72.4	166.6	0	0	0	111.6	I206 L208 F288 S289 T290 I305 I316	I197-I206 HydrophobicContact CD1-CG2 4.39Å; I197-I206 HydrophobicContact CG1-CB 3.74Å; I197-I206 HydrophobicContact CG1-CD1 4.3Å; I197-I206 HydrophobicContact CG1-CG2 3.92Å; I197-I206 PolarHBondContact N-O 3.17Å; I197-I206 PolarHBondContact O-N 3Å; I197-L208 HydrophobicContact CD1-CD1 3.98Å; I197-L208 HydrophobicContact CD1-CD2 3.93Å; I197-L208 HydrophobicContact CD1-CG 4.23Å; I197-L208 HydrophobicContact CG1-CD1 4.18Å; I197-L208 HydrophobicContact CG1-CD2 4.06Å; I197-L208 HydrophobicContact CG1-CG 4.1Å; I197-L208 HydrophobicContact CG2-CD1 3.7Å; I197-L208 HydrophobicContact CG2-CG 4.18Å; I197-F288 HydrophobicContact CB-CE1 4.03Å; I197-F288 HydrophobicContact CD1-CE1 4.04Å; I197-F288 HydrophobicContact CD1-CZ 4.38Å; I197-F288 HydrophobicContact CG1-CE1 4.21Å; I197-S289 CarbonylContact C-O 3.57Å; I197-S289 WeakPolarHBondContact CA-O 3.26Å; I197-S289 WeakPolarHBondContact CB-O 3.36Å; I197-T290 HydrophobicContact CG2-CG2 4.49Å; I197-I305 HydrophobicContact CD1-CB 4.48Å; I197-I305 HydrophobicContact CD1-CG1 4.09Å; I197-I305 HydrophobicContact CD1-CG2 3.93Å; I197-I316 HydrophobicContact CD1-CD1 3.85Å; I197-I316 HydrophobicContact CD1-CG1 3.94Å
198	G	98.8	Very high	98.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	95.3	-105.9	175.9	0	0	0	0	0	112.8	T204 F277 F288 S289	G198-T204 CarbonylContact C-O 3.53Å; G198-T204 WeakPolarHBondContact CA-O 3.5Å; G198-F277 VanDerWaalsContact O-CD2 3.27Å; G198-F277 WeakPolarHBondContact O-CD2 3.16Å; G198-F277 WeakPolarHBondContact O-CE2 3.18Å; G198-F288 VanDerWaalsContact CA-CZ 3.42Å; G198-F288 VanDerWaalsContact N-CE1 3.3Å; G198-S289 PolarHBondContact N-O 2.81Å; G198-S289 WeakPolarHBondContact O-CB 3.33Å; G198-S289 PolarHBondContact O-N 3.17Å
199	G	98.4	Very high	98.2	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.01	17%	0.166	C	C	.	.			trans	-149.7	-158.4	177.4	0	0	0	0	0	111.6	N145 T204 I205	N145-G199 WeakPolarHBondContact OD1-CA 3.11Å; G199-T204 VanDerWaalsContact C-OG1 3.3Å; G199-T204 WeakPolarHBondContact CA-OG1 3.24Å; G199-T204 PolarHBondContact N-O 3.05Å; G199-I205 WeakPolarHBondContact O-CG1 3.12Å
200	H	97.7	Very high	98.2	Very high	23 Å²	23	29.8 Å²	29.8	11%	0.106	17%	0.166	C	C	.	.	S	Bend	trans	-122.9	34.7	-170.2	-163.3	50.8	0	0	0	113.5	V144 N145 T170 D173 T204	V144-H200 HydrophobicContact CB-CB 4.01Å; N145-H200 PolarHBondContact OD1-N 3.19Å; T170-H200 HydrophobicContact CG2-CB 4.12Å; D173-H200 VanDerWaalsContact CG-ND1 3.28Å; D173-H200 IonicContact OD1-CE1 3.26Å; D173-H200 PolarHBondContact OD1-CE1 3.21Å; D173-H200 IonicContact OD1-ND1 3.72Å; D173-H200 PolarHBondContact OD1-ND1 3.35Å; D173-H200 IonicContact OD2-CE1 2.67Å; D173-H200 PolarHBondContact OD2-CE1 3.37Å; D173-H200 IonicContact OD2-CG 3.64Å; D173-H200 IonicContact OD2-ND1 3.98Å; D173-H200 PolarHBondContact OD2-ND1 2.55Å; H200-T204 PolarHBondContact N-OG1 3.23Å
201	A	95.2	Very high	98.2	Very high	33 Å²	33	28.3 Å²	28.3	27%	0.273	15%	0.145	S	C	.	.	S	Bend	trans	-146.4	116.9	178.4	0	0	0	0	0	112.4	K203 T204	A201-K203 PolarHBondContact O-N 2.87Å; A201-T204 PolarHBondContact N-OG1 3.21Å; A201-T204 VanDerWaalsContact N-OG1 3.08Å; A201-T204 WeakPolarHBondContact O-CB 3.4Å; A201-T204 WeakPolarHBondContact O-CG2 3.47Å; A201-T204 PolarHBondContact O-N 3.1Å; A201-T204 PolarHBondContact O-OG1 3.38Å
202	G	94.7	Very high	98.2	Very high	23 Å²	23	19.1 Å²	19.1	24%	0.237	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	48.6	-125	172.4	0	0	0	0	0	112.5	T204 I205 Q231	G202-T204 PolarHBondContact O-N 3.47Å; G202-T204 VanDerWaalsContact O-N 3.07Å; G202-I205 WeakPolarHBondContact O-CB 3.15Å; G202-I205 PolarHBondContact O-N 3.49Å; G202-Q231 WeakPolarHBondContact O-CG 3.44Å
203	K	97.1	Very high	98.2	Very high	93 Å²	93	23.2 Å²	23.2	40%	0.404	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-62.6	-14.6	-179.1	65.3	167.2	178.7	164.7	0	115	A201 I205 D318 E322	A201-K203 PolarHBondContact O-N 2.87Å; K203-I205 PolarHBondContact O-N 3.42Å; K203-D318 WeakPolarHBondContact CE-O 3.47Å; K203-D318 PolarHBondContact NZ-O 3.26Å; K203-E322 WeakPolarHBondContact CE-OE2 3.45Å; K203-E322 VanDerWaalsContact CG-OE2 3.22Å; K203-E322 WeakPolarHBondContact CG-OE2 3.31Å; K203-E322 IonicContact NZ-OE2 2.91Å
204	T	98.5	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-74.2	-13.6	174	82.7	0	0	0	0	112.5	N145 G198 G199 H200 A201 G202 I206 E322 L323	N145-T204 PolarHBondContact ND2-OG1 3.07Å; N145-T204 VanDerWaalsContact ND2-OG1 3.16Å; G198-T204 CarbonylContact C-O 3.53Å; G198-T204 WeakPolarHBondContact CA-O 3.5Å; G199-T204 VanDerWaalsContact C-OG1 3.3Å; G199-T204 WeakPolarHBondContact CA-OG1 3.24Å; G199-T204 PolarHBondContact N-O 3.05Å; H200-T204 PolarHBondContact N-OG1 3.23Å; A201-T204 PolarHBondContact N-OG1 3.21Å; A201-T204 VanDerWaalsContact N-OG1 3.08Å; A201-T204 WeakPolarHBondContact O-CB 3.4Å; A201-T204 WeakPolarHBondContact O-CG2 3.47Å; A201-T204 PolarHBondContact O-N 3.1Å; A201-T204 PolarHBondContact O-OG1 3.38Å; G202-T204 PolarHBondContact O-N 3.47Å; G202-T204 VanDerWaalsContact O-N 3.07Å; T204-I206 PolarHBondContact O-N 3.27Å; T204-E322 HydrophobicContact CG2-CB 4.07Å; T204-E322 HydrophobicContact CG2-CG 3.87Å; T204-L323 HydrophobicContact CG2-CD2 3.91Å; T204-L323 HydrophobicContact CG2-CG 3.84Å
205	I	98.7	Very high	98.2	Very high	8 Å²	8	30.2 Å²	30.2	4%	0.041	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	110.6	175.4	-58.2	166.7	0	0	0	107.5	D173 V196 G199 G202 K203 P207 I230 Q231	D173-I205 HydrophobicContact CB-CG2 3.95Å; V196-I205 HydrophobicContact CG1-CG2 3.63Å; G199-I205 WeakPolarHBondContact O-CG1 3.12Å; G202-I205 WeakPolarHBondContact O-CB 3.15Å; G202-I205 PolarHBondContact O-N 3.49Å; K203-I205 PolarHBondContact O-N 3.42Å; I205-P207 VanDerWaalsContact O-CD 3.3Å; I205-P207 WeakPolarHBondContact O-CD 3.41Å; I205-I230 HydrophobicContact CG2-CG2 3.98Å; I205-Q231 HydrophobicContact CB-CG 4.13Å; I205-Q231 VanDerWaalsContact O-CG 3.3Å; I205-Q231 WeakPolarHBondContact O-CG 3.29Å; I205-Q231 PolarHBondContact O-NE2 3.48Å
206	I	98.8	Very high	98.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	91.6	-172.2	-53.8	166.8	0	0	0	109	V196 I197 T204 L208 F288 M315 I316 A319	V196-I206 WeakPolarHBondContact CA-O 3.2Å; I197-I206 HydrophobicContact CD1-CG2 4.39Å; I197-I206 HydrophobicContact CG1-CB 3.74Å; I197-I206 HydrophobicContact CG1-CD1 4.3Å; I197-I206 HydrophobicContact CG1-CG2 3.92Å; I197-I206 PolarHBondContact N-O 3.17Å; I197-I206 PolarHBondContact O-N 3Å; T204-I206 PolarHBondContact O-N 3.27Å; I206-L208 HydrophobicContact CG2-CD2 3.98Å; I206-L208 PolarHBondContact O-N 3.29Å; I206-F288 HydrophobicContact CD1-CZ 4.45Å; I206-M315 HydrophobicContact CG1-CB 4.29Å; I206-M315 HydrophobicContact CG2-CB 3.93Å; I206-M315 HydrophobicContact CG2-CE 3.9Å; I206-M315 HydrophobicContact CG2-SD 4.37Å; I206-I316 HydrophobicContact CD1-CB 4.4Å; I206-I316 HydrophobicContact CD1-CG1 3.89Å; I206-I316 HydrophobicContact CG2-CG1 4.43Å; I206-A319 HydrophobicContact CD1-CB 3.82Å; I206-A319 HydrophobicContact CG1-CB 4.43Å
207	P	98.8	Very high	98	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117.5	175.7	29.3	-32.8	0	0	0	110.5	V194 V196 I205 I209 T227 I230	V194-P207 HydrophobicContact CG1-CB 4.31Å; V196-P207 HydrophobicContact CG2-CB 4.18Å; I205-P207 VanDerWaalsContact O-CD 3.3Å; I205-P207 WeakPolarHBondContact O-CD 3.41Å; P207-I209 VanDerWaalsContact C-N 3.26Å; P207-I209 HydrophobicContact CB-CD1 3.99Å; P207-I209 HydrophobicContact CB-CG1 4.42Å; P207-I209 PolarHBondContact O-N 3.35Å; P207-T227 HydrophobicContact CG-CG2 3.95Å; P207-I230 HydrophobicContact CB-CD1 3.71Å; P207-I230 HydrophobicContact CB-CG2 4.28Å; P207-I230 HydrophobicContact CG-CB 4.27Å; P207-I230 HydrophobicContact CG-CD1 3.78Å; P207-I230 HydrophobicContact CG-CG2 4.15Å
208	L	98.8	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.205	C	C	.	.			trans	-83.5	71.3	177.5	-57.5	-174.3	0	0	0	110.1	P195 I197 I206 S210 Q211 V308 E312	P195-L208 HydrophobicContact CB-CB 4.35Å; P195-L208 HydrophobicContact CB-CD1 4.44Å; P195-L208 WeakPolarHBondContact O-CB 3.38Å; P195-L208 PolarHBondContact O-N 2.93Å; I197-L208 HydrophobicContact CD1-CD1 3.98Å; I197-L208 HydrophobicContact CD1-CD2 3.93Å; I197-L208 HydrophobicContact CD1-CG 4.23Å; I197-L208 HydrophobicContact CG1-CD1 4.18Å; I197-L208 HydrophobicContact CG1-CD2 4.06Å; I197-L208 HydrophobicContact CG1-CG 4.1Å; I197-L208 HydrophobicContact CG2-CD1 3.7Å; I197-L208 HydrophobicContact CG2-CG 4.18Å; I206-L208 HydrophobicContact CG2-CD2 3.98Å; I206-L208 PolarHBondContact O-N 3.29Å; L208-S210 PolarHBondContact O-N 2.82Å; L208-Q211 HydrophobicContact CB-CB 4.19Å; L208-Q211 HydrophobicContact CB-CG 4.19Å; L208-Q211 PolarHBondContact O-N 2.99Å; L208-V308 HydrophobicContact CD1-CG1 4.12Å; L208-V308 HydrophobicContact CD2-CG1 3.89Å; L208-E312 VanDerWaalsContact C-OE1 3.25Å; L208-E312 WeakPolarHBondContact CA-OE1 3.5Å; L208-E312 HydrophobicContact CD2-CB 3.97Å; L208-E312 HydrophobicContact CD2-CG 3.89Å
209	I	98.7	Very high	97.9	Very high	8 Å²	8	40.1 Å²	40.1	4%	0.041	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-59	-30.3	179.9	-51.6	-60.7	0	0	0	110.7	V181 V194 P207 Q211 C212 V216 F218 L223 L226 I230 E312	V181-I209 HydrophobicContact CG2-CD1 3.93Å; V194-I209 HydrophobicContact CG1-CD1 3.82Å; V194-I209 HydrophobicContact CG2-CD1 4.48Å; P207-I209 VanDerWaalsContact C-N 3.26Å; P207-I209 HydrophobicContact CB-CD1 3.99Å; P207-I209 HydrophobicContact CB-CG1 4.42Å; P207-I209 PolarHBondContact O-N 3.35Å; I209-Q211 PolarHBondContact O-N 3.29Å; I209-C212 WeakPolarHBondContact O-CB 3.28Å; I209-C212 PolarHBondContact O-N 3.21Å; I209-C212 VanDerWaalsContact O-N 3.09Å; I209-V216 HydrophobicContact CG2-CG2 3.82Å; I209-F218 HydrophobicContact CG2-CD2 3.96Å; I209-F218 HydrophobicContact CG2-CE2 4.25Å; I209-L223 HydrophobicContact CB-CD1 3.69Å; I209-L223 HydrophobicContact CG1-CD1 3.68Å; I209-L223 HydrophobicContact CG2-CD1 3.85Å; I209-L226 HydrophobicContact CD1-CD2 3.91Å; I209-L226 HydrophobicContact CG1-CD2 4.33Å; I209-I230 HydrophobicContact CD1-CD1 4.22Å; I209-E312 PolarHBondContact N-OE1 3.03Å; I209-E312 VanDerWaalsContact N-OE1 3.09Å
210	S	98.5	Very high	97.9	Very high	60 Å²	60	45.1 Å²	45.1	42%	0.42	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-62.8	-19.7	175.4	73.9	0	0	0	0	113.9	L208 E312	L208-S210 PolarHBondContact O-N 2.82Å; S210-E312 WeakPolarHBondContact CB-OE1 3.43Å; S210-E312 VanDerWaalsContact CB-OE2 3.31Å; S210-E312 WeakPolarHBondContact CB-OE2 3.47Å; S210-E312 PolarHBondContact N-OE1 2.98Å; S210-E312 PolarHBondContact OG-OE1 3.43Å; S210-E312 PolarHBondContact OG-OE2 3Å
211	Q	98.6	Very high	97.9	Very high	52 Å²	52	49.3 Å²	49.3	24%	0.243	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-105.1	9.4	178.4	-59.7	-175.3	11.8	0	0	113	P195 L208 I209 T213 I305 K307	P195-Q211 HydrophobicContact CG-CB 4.01Å; L208-Q211 HydrophobicContact CB-CB 4.19Å; L208-Q211 HydrophobicContact CB-CG 4.19Å; L208-Q211 PolarHBondContact O-N 2.99Å; I209-Q211 PolarHBondContact O-N 3.29Å; Q211-T213 PolarHBondContact O-N 2.84Å; Q211-I305 PolarHBondContact NE2-O 3.48Å; Q211-K307 PolarHBondContact NE2-O 2.94Å
212	C	98.7	Very high	98	Very high	7 Å²	7	51.8 Å²	51.8	5%	0.047	28%	0.277	C	S	.	.			trans	-59.1	138.5	178.8	-179.9	0	0	0	0	111.7	N193 V194 I209 P214 K215 V216	N193-C212 CarbonylContact O-C 3.58Å; N193-C212 WeakPolarHBondContact O-CA 3.48Å; V194-C212 HydrophobicContact CG2-CB 4.06Å; I209-C212 WeakPolarHBondContact O-CB 3.28Å; I209-C212 PolarHBondContact O-N 3.21Å; I209-C212 VanDerWaalsContact O-N 3.09Å; C212-P214 CarbonylContact C-O 3.59Å; C212-P214 VanDerWaalsContact C-O 3.31Å; C212-P214 CarbonylContact O-C 3.53Å; C212-P214 VanDerWaalsContact O-C 3.24Å; C212-P214 VanDerWaalsContact O-O 3.09Å; C212-P214 PolarHBondContact SG-O 3.02Å; C212-K215 WeakPolarHBondContact O-CA 3.45Å; C212-K215 PolarHBondContact O-N 2.98Å; C212-V216 HydrophobicContact CB-CG2 3.8Å
213	T	98.4	Very high	98.2	Very high	92 Å²	92	51.9 Å²	51.9	56%	0.564	27%	0.272	S	S	*	.	B	Isolated β-bridge	trans	-116.2	124.7	169.3	-59.2	0	0	0	0	109.6	V192 N193 Q211	V192-T213 CarbonylContact C-O 3.54Å; V192-T213 WeakPolarHBondContact CA-O 3.36Å; N193-T213 PolarHBondContact N-O 2.83Å; N193-T213 PolarHBondContact O-N 3.26Å; Q211-T213 PolarHBondContact O-N 2.84Å
214	P	98.4	Very high	98.2	Very high	57 Å²	57	50.6 Å²	50.6	37%	0.37	27%	0.272	S	S	.	.	S	Bend	cis	-62.2	160.7	-8.1	31	-37.3	0	0	0	111.3	L187 R191 C212 V216	L187-P214 HydrophobicContact CD1-CG 3.92Å; R191-P214 VanDerWaalsContact O-CD 3.24Å; R191-P214 WeakPolarHBondContact O-CD 3.45Å; C212-P214 CarbonylContact C-O 3.59Å; C212-P214 VanDerWaalsContact C-O 3.31Å; C212-P214 CarbonylContact O-C 3.53Å; C212-P214 VanDerWaalsContact O-C 3.24Å; C212-P214 VanDerWaalsContact O-O 3.09Å; C212-P214 PolarHBondContact SG-O 3.02Å; P214-V216 PolarHBondContact O-N 2.74Å
215	K	98.2	Very high	98.2	Very high	162 Å²	162	53.8 Å²	53.8	70%	0.704	30%	0.298	S	S	*	.			trans	-57.7	133.9	176.8	-177.6	177.8	175.2	-178.9	0	109.9	C212 D217	C212-K215 WeakPolarHBondContact O-CA 3.45Å; C212-K215 PolarHBondContact O-N 2.98Å; K215-D217 VanDerWaalsContact CE-OD1 3.32Å; K215-D217 WeakPolarHBondContact CE-OD1 3.36Å; K215-D217 IonicContact NZ-OD1 3.79Å
216	V	98	Very high	98.2	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.097	30%	0.297	C	S	.	.			trans	-126	139.6	175.1	-61.7	0	0	0	0	109.7	V181 K185 L187 I209 C212 P214 F218	V181-V216 HydrophobicContact CG1-CG1 3.96Å; V181-V216 HydrophobicContact CG1-CG2 4.13Å; K185-V216 HydrophobicContact CG-CB 4.29Å; K185-V216 HydrophobicContact CG-CG1 3.97Å; L187-V216 HydrophobicContact CD1-CG1 4.19Å; I209-V216 HydrophobicContact CG2-CG2 3.82Å; C212-V216 HydrophobicContact CB-CG2 3.8Å; P214-V216 PolarHBondContact O-N 2.74Å; V216-F218 HydrophobicContact CB-CD2 4.46Å; V216-F218 HydrophobicContact CB-CE2 4.12Å; V216-F218 HydrophobicContact CG2-CD2 4.03Å; V216-F218 HydrophobicContact CG2-CE2 3.72Å
217	D	97.1	Very high	98.2	Very high	115 Å²	115	53.9 Å²	53.9	62%	0.615	30%	0.299	S	S	*	.			trans	-114.1	121.5	175	-62.5	-56.4	0	0	0	109	K185 K215	K185-D217 VanDerWaalsContact CE-O 3.29Å; K185-D217 WeakPolarHBondContact CE-O 3.45Å; K185-D217 PolarHBondContact NZ-O 2.75Å; K215-D217 VanDerWaalsContact CE-OD1 3.32Å; K215-D217 WeakPolarHBondContact CE-OD1 3.36Å; K215-D217 IonicContact NZ-OD1 3.79Å
218	F	97.8	Very high	98.1	Very high	29 Å²	29	55.2 Å²	55.2	13%	0.127	31%	0.312	C	S	.	.			trans	-115.3	141.8	176	-76.2	-78.3	0	0	0	110.2	V181 L184 K185 I209 V216 Q222 L223 L226	V181-F218 HydrophobicContact CG1-CE2 4.42Å; V181-F218 HydrophobicContact CG2-CE2 4.41Å; L184-F218 HydrophobicContact CB-CE1 3.71Å; L184-F218 HydrophobicContact CB-CZ 3.84Å; L184-F218 HydrophobicContact CD1-CE1 3.94Å; L184-F218 HydrophobicContact CD1-CZ 4.12Å; L184-F218 HydrophobicContact CG-CE1 4.46Å; K185-F218 HydrophobicContact CD-CE1 4.01Å; K185-F218 HydrophobicContact CD-CZ 3.94Å; K185-F218 VanDerWaalsContact CE-CE1 3.44Å; K185-F218 VanDerWaalsContact CE-CZ 3.48Å; K185-F218 HydrophobicContact CG-CE1 4.19Å; K185-F218 HydrophobicContact CG-CE2 4.23Å; K185-F218 HydrophobicContact CG-CZ 3.63Å; I209-F218 HydrophobicContact CG2-CD2 3.96Å; I209-F218 HydrophobicContact CG2-CE2 4.25Å; V216-F218 HydrophobicContact CB-CD2 4.46Å; V216-F218 HydrophobicContact CB-CE2 4.12Å; V216-F218 HydrophobicContact CG2-CD2 4.03Å; V216-F218 HydrophobicContact CG2-CE2 3.72Å; F218-Q222 HydrophobicContact CD1-CB 4.14Å; F218-L223 HydrophobicContact CB-CB 4.05Å; F218-L226 HydrophobicContact CD2-CD2 4.28Å; F218-L226 HydrophobicContact CE2-CD2 3.85Å; F218-L226 HydrophobicContact CZ-CD2 4.09Å
219	P	97.5	Very high	98.1	Very high	64 Å²	64	59.3 Å²	59.3	42%	0.416	33%	0.328	S	S	.	.			trans	-63.6	151.9	166	30.9	-34.4	0	0	0	109.6	D221 Q222 L223	P219-D221 VanDerWaalsContact C-N 3.25Å; P219-D221 VanDerWaalsContact CB-OD1 3.29Å; P219-D221 WeakPolarHBondContact CB-OD1 3.45Å; P219-D221 WeakPolarHBondContact CG-OD1 3.19Å; P219-D221 PolarHBondContact O-N 3.44Å; P219-Q222 HydrophobicContact CG-CB 3.95Å; P219-Q222 HydrophobicContact CG-CG 3.78Å; P219-Q222 PolarHBondContact O-N 3.17Å; P219-Q222 VanDerWaalsContact O-N 3.11Å; P219-L223 PolarHBondContact O-N 2.83Å
220	Q	97.4	Very high	98.1	Very high	106 Å²	106	59 Å²	59	50%	0.495	33%	0.326	S	S	.	.	H	α-helix	trans	-57.7	-35.6	-168.2	-178	61.1	40.8	0	0	113.5	T224	Q220-T224 PolarHBondContact NE2-OG1 3.08Å; Q220-T224 WeakPolarHBondContact O-CB 3.27Å; Q220-T224 PolarHBondContact O-N 3.45Å; Q220-T224 PolarHBondContact O-OG1 2.98Å
221	D	97.6	Very high	98	Very high	111 Å²	111	57.9 Å²	57.9	59%	0.594	32%	0.315	S	S	*	.	H	α-helix	trans	-64.6	-48.2	177	63.1	-36.1	0	0	0	111.8	P219 T224 A225	P219-D221 VanDerWaalsContact C-N 3.25Å; P219-D221 VanDerWaalsContact CB-OD1 3.29Å; P219-D221 WeakPolarHBondContact CB-OD1 3.45Å; P219-D221 WeakPolarHBondContact CG-OD1 3.19Å; P219-D221 PolarHBondContact O-N 3.44Å; D221-T224 PolarHBondContact O-N 3.32Å; D221-A225 WeakPolarHBondContact O-CB 3.39Å; D221-A225 PolarHBondContact O-N 3.38Å
222	Q	97.8	Very high	97.9	Very high	85 Å²	85	59.5 Å²	59.5	40%	0.397	32%	0.322	S	S	.	.	H	α-helix	trans	-67.4	-38.8	176	-67.9	-175.9	21.7	0	0	112	F218 P219 T224 A225 L226	F218-Q222 HydrophobicContact CD1-CB 4.14Å; P219-Q222 HydrophobicContact CG-CB 3.95Å; P219-Q222 HydrophobicContact CG-CG 3.78Å; P219-Q222 PolarHBondContact O-N 3.17Å; P219-Q222 VanDerWaalsContact O-N 3.11Å; Q222-T224 VanDerWaalsContact C-N 3.34Å; Q222-A225 PolarHBondContact O-N 2.75Å; Q222-L226 VanDerWaalsContact O-CB 3.22Å; Q222-L226 WeakPolarHBondContact O-CB 3.31Å; Q222-L226 PolarHBondContact O-N 2.97Å
223	L	98	Very high	97.7	Very high	25 Å²	25	59.3 Å²	59.3	13%	0.131	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-47.6	175.2	178.9	61	0	0	0	110.6	I209 F218 P219 L226 T227 F311	I209-L223 HydrophobicContact CB-CD1 3.69Å; I209-L223 HydrophobicContact CG1-CD1 3.68Å; I209-L223 HydrophobicContact CG2-CD1 3.85Å; F218-L223 HydrophobicContact CB-CB 4.05Å; P219-L223 PolarHBondContact O-N 2.83Å; L223-L226 PolarHBondContact O-N 2.89Å; L223-T227 PolarHBondContact O-N 2.85Å; L223-T227 PolarHBondContact O-OG1 2.63Å; L223-T227 VanDerWaalsContact O-OG1 3.06Å; L223-F311 HydrophobicContact CD2-CD1 4.1Å; L223-F311 HydrophobicContact CD2-CE1 4.42Å; L223-F311 HydrophobicContact CG-CD1 4.41Å; L223-F311 HydrophobicContact CG-CE1 4.24Å
224	T	97.9	Very high	97.3	Very high	66 Å²	66	56.3 Å²	56.3	41%	0.405	31%	0.308	S	S	.	.	H	α-helix	trans	-63.3	-44	179.2	-54.4	0	0	0	0	111.3	Q220 D221 Q222 T227 G228	Q220-T224 PolarHBondContact NE2-OG1 3.08Å; Q220-T224 WeakPolarHBondContact O-CB 3.27Å; Q220-T224 PolarHBondContact O-N 3.45Å; Q220-T224 PolarHBondContact O-OG1 2.98Å; D221-T224 PolarHBondContact O-N 3.32Å; Q222-T224 VanDerWaalsContact C-N 3.34Å; T224-T227 PolarHBondContact O-N 2.9Å; T224-G228 PolarHBondContact O-N 2.81Å
225	A	98.3	Very high	96.9	Very high	67 Å²	67	56.3 Å²	56.3	55%	0.554	31%	0.307	S	S	*	.	H	α-helix	trans	-64.3	-42	176.9	0	0	0	0	0	112.5	D221 Q222 G228 R229	D221-A225 WeakPolarHBondContact O-CB 3.39Å; D221-A225 PolarHBondContact O-N 3.38Å; Q222-A225 PolarHBondContact O-N 2.75Å; A225-G228 PolarHBondContact O-N 2.82Å; A225-R229 PolarHBondContact O-N 3.01Å
226	L	98.6	Very high	96.6	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-48.9	176.1	171.5	61.2	0	0	0	111.3	F180 V181 L184 I209 F218 Q222 L223 G228 R229 I230	F180-L226 HydrophobicContact CB-CD1 3.57Å; V181-L226 HydrophobicContact CG2-CD2 3.73Å; L184-L226 HydrophobicContact CD1-CB 4.23Å; L184-L226 HydrophobicContact CD1-CD1 3.92Å; L184-L226 HydrophobicContact CD1-CD2 4.25Å; L184-L226 HydrophobicContact CD1-CG 4.35Å; I209-L226 HydrophobicContact CD1-CD2 3.91Å; I209-L226 HydrophobicContact CG1-CD2 4.33Å; F218-L226 HydrophobicContact CD2-CD2 4.28Å; F218-L226 HydrophobicContact CE2-CD2 3.85Å; F218-L226 HydrophobicContact CZ-CD2 4.09Å; Q222-L226 VanDerWaalsContact O-CB 3.22Å; Q222-L226 WeakPolarHBondContact O-CB 3.31Å; Q222-L226 PolarHBondContact O-N 2.97Å; L223-L226 PolarHBondContact O-N 2.89Å; L226-G228 VanDerWaalsContact C-N 3.32Å; L226-G228 PolarHBondContact O-N 3.41Å; L226-R229 PolarHBondContact O-N 2.88Å; L226-I230 HydrophobicContact CD1-CD1 3.91Å; L226-I230 HydrophobicContact CD1-CG1 4.22Å; L226-I230 HydrophobicContact CG-CD1 4.01Å; L226-I230 WeakPolarHBondContact O-CG1 3.48Å; L226-I230 PolarHBondContact O-N 3.39Å
227	T	98.6	Very high	96.3	Very high	4 Å²	4	53.7 Å²	53.7	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-47.1	175.8	-62.1	0	0	0	0	110.8	P207 L223 T224 R229 I230 Q231 F311 M315	P207-T227 HydrophobicContact CG-CG2 3.95Å; L223-T227 PolarHBondContact O-N 2.85Å; L223-T227 PolarHBondContact O-OG1 2.63Å; L223-T227 VanDerWaalsContact O-OG1 3.06Å; T224-T227 PolarHBondContact O-N 2.9Å; T227-R229 PolarHBondContact O-N 3.28Å; T227-I230 PolarHBondContact O-N 3.31Å; T227-Q231 WeakPolarHBondContact O-CG 3.27Å; T227-Q231 PolarHBondContact O-N 2.87Å; T227-F311 HydrophobicContact CG2-CE1 4.39Å; T227-F311 HydrophobicContact CG2-CZ 4.5Å; T227-M315 HydrophobicContact CG2-CE 4.27Å; T227-M315 HydrophobicContact CG2-SD 3.43Å; T227-M315 WeakPolarHBondContact CG2-SD 3.43Å
228	G	98.1	Very high	95.9	Very high	28 Å²	28	50.3 Å²	50.3	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-59.3	-43.4	176.9	0	0	0	0	0	113	T224 A225 L226 I230 Q231 E232	T224-G228 PolarHBondContact O-N 2.81Å; A225-G228 PolarHBondContact O-N 2.82Å; L226-G228 VanDerWaalsContact C-N 3.32Å; L226-G228 PolarHBondContact O-N 3.41Å; G228-I230 PolarHBondContact O-N 3.16Å; G228-Q231 PolarHBondContact O-N 2.83Å; G228-E232 WeakPolarHBondContact O-CB 3.41Å; G228-E232 PolarHBondContact O-N 2.9Å
229	R	98.3	Very high	95.6	Very high	87 Å²	87	56.4 Å²	56.4	33%	0.328	31%	0.309	S	S	.	.	H	α-helix	trans	-61.8	-42	175.5	-170.8	-177.8	178.3	-155.5	-4	111.7	F180 E183 A225 L226 T227 E232 A233	F180-R229 HydrophobicContact CD2-CG 4.09Å; F180-R229 HydrophobicContact CE2-CG 3.86Å; F180-R229 HydrophobicContact CZ-CG 4.4Å; E183-R229 IonicContact OE2-CZ 3.79Å; E183-R229 IonicContact OE2-NH1 3.07Å; E183-R229 PolarHBondContact OE2-NH1 2.87Å; E183-R229 IonicContact OE2-NH2 3.54Å; A225-R229 PolarHBondContact O-N 3.01Å; L226-R229 PolarHBondContact O-N 2.88Å; T227-R229 PolarHBondContact O-N 3.28Å; R229-E232 PolarHBondContact O-N 2.98Å; R229-A233 WeakPolarHBondContact O-CA 3.49Å; R229-A233 VanDerWaalsContact O-CB 3.28Å; R229-A233 WeakPolarHBondContact O-CB 3.45Å; R229-A233 PolarHBondContact O-N 3.48Å
230	I	98.3	Very high	95.4	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.6	-45.3	176.9	-67.4	165.3	0	0	0	110.6	A177 F180 I205 P207 I209 L226 T227 G228	A177-I230 HydrophobicContact CB-CD1 3.76Å; A177-I230 HydrophobicContact CB-CG1 4.33Å; A177-I230 HydrophobicContact CB-CG2 4.5Å; F180-I230 HydrophobicContact CD2-CG1 3.77Å; F180-I230 HydrophobicContact CE2-CG1 4.39Å; I205-I230 HydrophobicContact CG2-CG2 3.98Å; P207-I230 HydrophobicContact CB-CD1 3.71Å; P207-I230 HydrophobicContact CB-CG2 4.28Å; P207-I230 HydrophobicContact CG-CB 4.27Å; P207-I230 HydrophobicContact CG-CD1 3.78Å; P207-I230 HydrophobicContact CG-CG2 4.15Å; I209-I230 HydrophobicContact CD1-CD1 4.22Å; L226-I230 HydrophobicContact CD1-CD1 3.91Å; L226-I230 HydrophobicContact CD1-CG1 4.22Å; L226-I230 HydrophobicContact CG-CD1 4.01Å; L226-I230 WeakPolarHBondContact O-CG1 3.48Å; L226-I230 PolarHBondContact O-N 3.39Å; T227-I230 PolarHBondContact O-N 3.31Å; G228-I230 PolarHBondContact O-N 3.16Å
231	Q	97.4	Very high	95.2	Very high	38 Å²	38	56.1 Å²	56.1	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-38	179.2	-70.1	176.9	-19.9	0	0	112.7	G202 I205 T227 G228	G202-Q231 WeakPolarHBondContact O-CG 3.44Å; I205-Q231 HydrophobicContact CB-CG 4.13Å; I205-Q231 VanDerWaalsContact O-CG 3.3Å; I205-Q231 WeakPolarHBondContact O-CG 3.29Å; I205-Q231 PolarHBondContact O-NE2 3.48Å; T227-Q231 WeakPolarHBondContact O-CG 3.27Å; T227-Q231 PolarHBondContact O-N 2.87Å; G228-Q231 PolarHBondContact O-N 2.83Å
232	E	95.1	Very high	94.8	Very high	85 Å²	85	55.3 Å²	55.3	40%	0.397	33%	0.325	S	S	.	.	H	α-helix	trans	-98.1	-2.3	-175.3	-69	-57.7	139.9	0	0	114.9	G228 R229 G234 T235 E236	G228-E232 WeakPolarHBondContact O-CB 3.41Å; G228-E232 PolarHBondContact O-N 2.9Å; R229-E232 PolarHBondContact O-N 2.98Å; E232-G234 PolarHBondContact O-N 3.15Å; E232-T235 CarbonylContact O-C 3.59Å; E232-T235 WeakPolarHBondContact O-CA 3.39Å; E232-T235 VanDerWaalsContact O-CB 3.29Å; E232-T235 WeakPolarHBondContact O-CB 3.3Å; E232-T235 PolarHBondContact O-N 3.28Å; E232-T235 WeakPolarHBondContact OE2-CB 3.26Å; E232-T235 PolarHBondContact OE2-OG1 2.75Å; E232-E236 PolarHBondContact O-N 2.82Å
233	A	95	Very high	94.1	Very high	3 Å²	3	52.5 Å²	52.5	3%	0.025	32%	0.319	C	S	.	.	H	α-helix	trans	-55.9	-29.6	-177.8	0	0	0	0	0	113.7	R176 F180 R229 V237	R176-A233 HydrophobicContact CG-CB 4.32Å; F180-A233 HydrophobicContact CE2-CB 3.98Å; F180-A233 HydrophobicContact CZ-CB 4.11Å; R229-A233 WeakPolarHBondContact O-CA 3.49Å; R229-A233 VanDerWaalsContact O-CB 3.28Å; R229-A233 WeakPolarHBondContact O-CB 3.45Å; R229-A233 PolarHBondContact O-N 3.48Å; A233-V237 WeakPolarHBondContact O-CG2 3.5Å; A233-V237 PolarHBondContact O-N 3.47Å
234	G	89.9	Confident	93.6	Very high	29 Å²	29	55.7 Å²	55.7	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-63	-47.8	171.1	0	0	0	0	0	112.5	E232 V237 V238	E232-G234 PolarHBondContact O-N 3.15Å; G234-V237 PolarHBondContact O-N 3.28Å; G234-V238 WeakPolarHBondContact O-CG2 3.46Å; G234-V238 PolarHBondContact O-N 2.78Å
235	T	89.1	Confident	93.1	Very high	57 Å²	57	53.2 Å²	53.2	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-63.7	-40.9	176.6	-51.7	0	0	0	0	111.3	E232 V237 V238 K239	E232-T235 CarbonylContact O-C 3.59Å; E232-T235 WeakPolarHBondContact O-CA 3.39Å; E232-T235 VanDerWaalsContact O-CB 3.29Å; E232-T235 WeakPolarHBondContact O-CB 3.3Å; E232-T235 PolarHBondContact O-N 3.28Å; E232-T235 WeakPolarHBondContact OE2-CB 3.26Å; E232-T235 PolarHBondContact OE2-OG1 2.75Å; T235-V237 PolarHBondContact O-N 3.03Å; T235-V238 PolarHBondContact O-N 3.37Å; T235-K239 HydrophobicContact CG2-CD 4.31Å; T235-K239 WeakPolarHBondContact O-CG 3.46Å; T235-K239 PolarHBondContact O-N 3.41Å
236	E	92.3	Very high	92.6	Very high	81 Å²	81	52 Å²	52	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-57.9	-46.5	176.5	-69.1	-178.5	174	0	0	111.9	E232 V238 K239 A240	E232-E236 PolarHBondContact O-N 2.82Å; E236-V238 PolarHBondContact O-N 2.87Å; E236-K239 PolarHBondContact O-N 3.36Å; E236-A240 WeakPolarHBondContact O-CB 3.21Å; E236-A240 PolarHBondContact O-N 3.42Å
237	V	92.6	Very high	92.3	Very high	42 Å²	42	52.2 Å²	52.2	26%	0.255	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-39.6	177.9	174.3	0	0	0	0	111.8	A233 G234 T235 K239 A240 K241 A247	A233-V237 WeakPolarHBondContact O-CG2 3.5Å; A233-V237 PolarHBondContact O-N 3.47Å; G234-V237 PolarHBondContact O-N 3.28Å; T235-V237 PolarHBondContact O-N 3.03Å; V237-K239 VanDerWaalsContact C-N 3.33Å; V237-K239 PolarHBondContact O-N 3.28Å; V237-A240 PolarHBondContact O-N 2.65Å; V237-K241 HydrophobicContact CG1-CD 4.22Å; V237-K241 HydrophobicContact CG1-CG 4.4Å; V237-K241 WeakPolarHBondContact O-CB 3.35Å; V237-K241 WeakPolarHBondContact O-CG 3.44Å; V237-K241 PolarHBondContact O-N 3.26Å; V237-A247 HydrophobicContact CG1-CB 4.13Å
238	V	88.6	Confident	92.3	Very high	44 Å²	44	53.6 Å²	53.6	27%	0.267	34%	0.335	S	S	.	.	H	α-helix	trans	-62.8	-41.9	176.6	172.5	0	0	0	0	111.1	G234 T235 E236 K241 A242 G243	G234-V238 WeakPolarHBondContact O-CG2 3.46Å; G234-V238 PolarHBondContact O-N 2.78Å; T235-V238 PolarHBondContact O-N 3.37Å; E236-V238 PolarHBondContact O-N 2.87Å; V238-K241 PolarHBondContact O-N 3.13Å; V238-A242 PolarHBondContact O-N 2.84Å; V238-G243 PolarHBondContact O-N 3.34Å; V238-G243 VanDerWaalsContact O-N 3.12Å
239	K	91.1	Very high	92.3	Very high	158 Å²	158	58.3 Å²	58.3	69%	0.687	35%	0.353	S	S	*	.	H	α-helix	trans	-63.6	-47.5	174.8	-72.6	173	177.8	173.2	0	111.2	T235 E236 V237 K241 A242	T235-K239 HydrophobicContact CG2-CD 4.31Å; T235-K239 WeakPolarHBondContact O-CG 3.46Å; T235-K239 PolarHBondContact O-N 3.41Å; E236-K239 PolarHBondContact O-N 3.36Å; V237-K239 VanDerWaalsContact C-N 3.33Å; V237-K239 PolarHBondContact O-N 3.28Å; K239-K241 VanDerWaalsContact C-N 3.25Å; K239-K241 PolarHBondContact O-N 3.26Å; K239-A242 PolarHBondContact O-N 3.22Å
240	A	94	Very high	92.3	Very high	88 Å²	88	56.5 Å²	56.5	73%	0.727	35%	0.354	S	S	*	.	H	α-helix	trans	-62.6	-31.2	178.6	0	0	0	0	0	112.9	E236 V237 A242	E236-A240 WeakPolarHBondContact O-CB 3.21Å; E236-A240 PolarHBondContact O-N 3.42Å; V237-A240 PolarHBondContact O-N 2.65Å; A240-A242 VanDerWaalsContact C-N 3.26Å; A240-A242 PolarHBondContact O-N 3.46Å
241	K	92.1	Very high	92.3	Very high	75 Å²	75	56.9 Å²	56.9	33%	0.326	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	6.2	172.7	-72.1	-170.6	172.2	-167	0	114.1	V237 V238 K239 G243 A244 S246 T248	V237-K241 HydrophobicContact CG1-CD 4.22Å; V237-K241 HydrophobicContact CG1-CG 4.4Å; V237-K241 WeakPolarHBondContact O-CB 3.35Å; V237-K241 WeakPolarHBondContact O-CG 3.44Å; V237-K241 PolarHBondContact O-N 3.26Å; V238-K241 PolarHBondContact O-N 3.13Å; K239-K241 VanDerWaalsContact C-N 3.25Å; K239-K241 PolarHBondContact O-N 3.26Å; K241-G243 PolarHBondContact O-N 3.36Å; K241-G243 VanDerWaalsContact O-N 3.09Å; K241-A244 VanDerWaalsContact O-CB 3.27Å; K241-A244 WeakPolarHBondContact O-CB 3.29Å; K241-A244 PolarHBondContact O-N 3.44Å; K241-S246 WeakPolarHBondContact CE-O 3.43Å; K241-S246 PolarHBondContact NZ-O 3.49Å; K241-T248 PolarHBondContact NZ-OG1 2.61Å; K241-T248 VanDerWaalsContact NZ-OG1 3.07Å
242	A	89.8	Confident	92.3	Very high	95 Å²	95	55 Å²	55	79%	0.785	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	36.4	-178.6	0	0	0	0	0	113.7	V238 K239 A240 A244	V238-A242 PolarHBondContact O-N 2.84Å; K239-A242 PolarHBondContact O-N 3.22Å; A240-A242 VanDerWaalsContact C-N 3.26Å; A240-A242 PolarHBondContact O-N 3.46Å; A242-A244 VanDerWaalsContact C-N 3.32Å; A242-A244 PolarHBondContact O-N 3.31Å
243	G	83.4	Confident	92.5	Very high	26 Å²	26	57.2 Å²	57.2	27%	0.268	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	1.2	-179.3	0	0	0	0	0	115.9	V238 K241 G245	V238-G243 PolarHBondContact O-N 3.34Å; V238-G243 VanDerWaalsContact O-N 3.12Å; K241-G243 PolarHBondContact O-N 3.36Å; K241-G243 VanDerWaalsContact O-N 3.09Å; G243-G245 PolarHBondContact O-N 3.43Å
244	A	87.4	Confident	92.7	Very high	91 Å²	91	57 Å²	57	75%	0.752	35%	0.351	S	S	*	.	S	Bend	trans	-74.8	32.2	175.9	0	0	0	0	0	113.8	K241 A242	K241-A244 VanDerWaalsContact O-CB 3.27Å; K241-A244 WeakPolarHBondContact O-CB 3.29Å; K241-A244 PolarHBondContact O-N 3.44Å; A242-A244 VanDerWaalsContact C-N 3.32Å; A242-A244 PolarHBondContact O-N 3.31Å
245	G	86.1	Confident	93.1	Very high	15 Å²	15	55.7 Å²	55.7	16%	0.155	34%	0.337	C	S	.	.			trans	108.7	-170.6	-177.4	0	0	0	0	0	113.9	G243	G243-G245 PolarHBondContact O-N 3.43Å
246	S	88.7	Confident	93.6	Very high	41 Å²	41	53.1 Å²	53.1	29%	0.287	32%	0.322	S	S	.	.	S	Bend	trans	-115.9	-166.7	-176.3	60	0	0	0	0	111.6	K241 T248	K241-S246 WeakPolarHBondContact CE-O 3.43Å; K241-S246 PolarHBondContact NZ-O 3.49Å; S246-T248 PolarHBondContact O-N 2.85Å
247	A	93.4	Very high	93.9	Very high	10 Å²	10	51.8 Å²	51.8	8%	0.083	31%	0.313	C	S	.	.			trans	-58.3	122.1	174.4	0	0	0	0	0	111.1	L172 V237	L172-A247 HydrophobicContact CD2-CB 4.16Å; V237-A247 HydrophobicContact CG1-CB 4.13Å
248	T	96.9	Very high	94.2	Very high	33 Å²	33	49.8 Å²	49.8	20%	0.202	30%	0.301	C	S	.	.			trans	-115.9	-62.1	-178.6	46.1	0	0	0	0	110.8	G35 I36 K241 S246 M251 A252	G35-T248 VanDerWaalsContact O-CB 3.29Å; G35-T248 WeakPolarHBondContact O-CB 3.47Å; I36-T248 HydrophobicContact CG1-CG2 4.41Å; K241-T248 PolarHBondContact NZ-OG1 2.61Å; K241-T248 VanDerWaalsContact NZ-OG1 3.07Å; S246-T248 PolarHBondContact O-N 2.85Å; T248-M251 PolarHBondContact O-N 3.32Å; T248-A252 PolarHBondContact O-N 3.32Å
249	L	98.3	Very high	94.7	Very high	127 Å²	127	47.8 Å²	47.8	67%	0.665	29%	0.289	S	S	*	.	H	α-helix	trans	-64.1	-48.1	-176.7	-56.9	178	0	0	0	112.8	P39 M251 A252 Y253	P39-L249 HydrophobicContact CB-CD2 4.01Å; P39-L249 HydrophobicContact CG-CD2 4.13Å; L249-M251 VanDerWaalsContact C-N 3.28Å; L249-M251 PolarHBondContact O-N 3.44Å; L249-A252 WeakPolarHBondContact O-CB 3.39Å; L249-A252 PolarHBondContact O-N 3.32Å; L249-Y253 PolarHBondContact O-N 2.97Å
250	S	98.4	Very high	95	Very high	49 Å²	49	42.6 Å²	42.6	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-66.3	-32.3	177.3	56.9	0	0	0	0	112.3	Y253 A254	S250-Y253 PolarHBondContact O-N 3.14Å; S250-A254 WeakPolarHBondContact O-CB 3.3Å; S250-A254 PolarHBondContact O-N 2.92Å
251	M	98.4	Very high	95.3	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.034	24%	0.238	C	C	.	.	H	α-helix	trans	-69.6	-38.3	173.7	-171	64.6	-118	0	0	111.4	I36 I140 V169 L172 T248 L249 A254 G255	I36-M251 HydrophobicContact CD1-CB 4.22Å; I36-M251 HydrophobicContact CD1-CG 3.76Å; I36-M251 HydrophobicContact CG1-CB 4.14Å; I36-M251 HydrophobicContact CG1-CG 4.12Å; I36-M251 HydrophobicContact CG2-CB 4.42Å; I36-M251 HydrophobicContact CG2-CG 4.09Å; I140-M251 HydrophobicContact CD1-CE 4.2Å; I140-M251 HydrophobicContact CG1-CE 4.13Å; I140-M251 HydrophobicContact CG2-CE 3.94Å; I140-M251 HydrophobicContact CG2-CG 3.91Å; I140-M251 HydrophobicContact CG2-SD 4.12Å; V169-M251 HydrophobicContact CG1-CE 3.83Å; L172-M251 HydrophobicContact CB-CE 4.37Å; L172-M251 HydrophobicContact CB-SD 3.84Å; L172-M251 HydrophobicContact CD2-CB 4.17Å; L172-M251 HydrophobicContact CD2-SD 3.69Å; L172-M251 HydrophobicContact CG-SD 4.36Å; T248-M251 PolarHBondContact O-N 3.32Å; L249-M251 VanDerWaalsContact C-N 3.28Å; L249-M251 PolarHBondContact O-N 3.44Å; M251-A254 HydrophobicContact CE-CB 4.21Å; M251-A254 PolarHBondContact O-N 3.5Å; M251-G255 PolarHBondContact O-N 3.04Å
252	A	98.7	Very high	95.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.9	-44.2	172.3	0	0	0	0	0	111.8	P39 L40 L43 T248 L249 G255 A256	P39-A252 HydrophobicContact CB-CB 3.74Å; P39-A252 HydrophobicContact CG-CB 3.8Å; L40-A252 HydrophobicContact CB-CB 4.01Å; L43-A252 HydrophobicContact CD1-CB 4.26Å; T248-A252 PolarHBondContact O-N 3.32Å; L249-A252 WeakPolarHBondContact O-CB 3.39Å; L249-A252 PolarHBondContact O-N 3.32Å; A252-G255 PolarHBondContact O-N 3.41Å; A252-A256 VanDerWaalsContact O-CB 3.26Å; A252-A256 WeakPolarHBondContact O-CB 3.49Å; A252-A256 PolarHBondContact O-N 3.46Å
253	Y	98.9	Very high	96	Very high	130 Å²	130	31.3 Å²	31.3	51%	0.51	19%	0.186	S	C	.	.	H	α-helix	trans	-57.3	-50.8	172.6	172	-92.3	0	0	0	111.9	V175 L249 S250 G255 A256 R257	V175-Y253 HydrophobicContact CG1-CD1 4.16Å; V175-Y253 HydrophobicContact CG1-CE1 4.05Å; V175-Y253 HydrophobicContact CG2-CD1 4.18Å; V175-Y253 HydrophobicContact CG2-CE1 3.87Å; L249-Y253 PolarHBondContact O-N 2.97Å; S250-Y253 PolarHBondContact O-N 3.14Å; Y253-G255 PolarHBondContact O-N 3.33Å; Y253-A256 PolarHBondContact O-N 3.47Å; Y253-R257 WeakPolarHBondContact O-CB 3.49Å; Y253-R257 PolarHBondContact O-N 3.41Å
254	A	98.8	Very high	96.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-42	-179.1	0	0	0	0	0	112.5	T171 L172 V175 S250 M251 R257 F258	T171-A254 HydrophobicContact CG2-CB 4.26Å; T171-A254 WeakPolarHBondContact CG2-O 3.49Å; L172-A254 HydrophobicContact CB-CB 3.89Å; L172-A254 HydrophobicContact CD1-CB 4.2Å; V175-A254 HydrophobicContact CG2-CB 4.2Å; S250-A254 WeakPolarHBondContact O-CB 3.3Å; S250-A254 PolarHBondContact O-N 2.92Å; M251-A254 HydrophobicContact CE-CB 4.21Å; M251-A254 PolarHBondContact O-N 3.5Å; A254-R257 PolarHBondContact O-N 2.92Å; A254-F258 PolarHBondContact O-N 3.32Å
255	G	98.8	Very high	97.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-44	175.6	0	0	0	0	0	112.4	M251 A252 Y253 F258 V259	M251-G255 PolarHBondContact O-N 3.04Å; A252-G255 PolarHBondContact O-N 3.41Å; Y253-G255 PolarHBondContact O-N 3.33Å; G255-F258 PolarHBondContact O-N 2.96Å; G255-V259 WeakPolarHBondContact O-CG2 3.44Å; G255-V259 PolarHBondContact O-N 3.33Å
256	A	98.9	Very high	97.8	Very high	3 Å²	3	29 Å²	29	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-62.7	-45.4	176.2	0	0	0	0	0	111.5	L40 L43 A252 Y253 F258 V259 F260	L40-A256 HydrophobicContact CD1-CB 4Å; L43-A256 HydrophobicContact CB-CB 3.78Å; L43-A256 HydrophobicContact CD1-CB 3.91Å; A252-A256 VanDerWaalsContact O-CB 3.26Å; A252-A256 WeakPolarHBondContact O-CB 3.49Å; A252-A256 PolarHBondContact O-N 3.46Å; Y253-A256 PolarHBondContact O-N 3.47Å; A256-F258 VanDerWaalsContact C-N 3.32Å; A256-F258 PolarHBondContact O-N 3.2Å; A256-V259 PolarHBondContact O-N 3.46Å; A256-F260 HydrophobicContact CB-CE2 3.88Å; A256-F260 HydrophobicContact CB-CZ 4.07Å; A256-F260 WeakPolarHBondContact O-CD2 3.25Å; A256-F260 WeakPolarHBondContact O-CG 3.32Å; A256-F260 PolarHBondContact O-N 3.03Å
257	R	98.9	Very high	98.2	Very high	53 Å²	53	29.5 Å²	29.5	20%	0.2	15%	0.15	C	C	.	.	H	α-helix	trans	-53.4	-49.8	173.8	171.3	-179.8	159.1	-178.8	-9.1	111.2	T171 Y253 A254 V259 F260 S261 E274	T171-R257 HydrophobicContact CG2-CG 4.38Å; Y253-R257 WeakPolarHBondContact O-CB 3.49Å; Y253-R257 PolarHBondContact O-N 3.41Å; A254-R257 PolarHBondContact O-N 2.92Å; R257-V259 PolarHBondContact O-N 2.66Å; R257-F260 PolarHBondContact O-N 3.37Å; R257-S261 PolarHBondContact O-N 2.9Å; R257-S261 PolarHBondContact O-OG 2.75Å; R257-E274 IonicContact CZ-OE1 3.45Å; R257-E274 IonicContact CZ-OE2 3.17Å; R257-E274 IonicContact NE-OE1 2.75Å; R257-E274 PolarHBondContact NE-OE1 2.85Å; R257-E274 IonicContact NE-OE2 2.95Å; R257-E274 IonicContact NH2-OE1 2.55Å; R257-E274 PolarHBondContact NH2-OE1 3.5Å; R257-E274 IonicContact NH2-OE2 3.44Å; R257-E274 PolarHBondContact NH2-OE2 2.81Å
258	F	98.9	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-43.3	-179.2	-170	-106.3	0	0	0	112.4	F167 V169 T171 A254 G255 A256 S261 L262 E274	F167-F258 HydrophobicContact CB-CE1 3.64Å; F167-F258 HydrophobicContact CB-CZ 3.77Å; F167-F258 HydrophobicContact CD1-CE1 4.32Å; F167-F258 AromaticContact CD1-CZ 3.76Å; F167-F258 HydrophobicContact CD1-CZ 3.76Å; F167-F258 AromaticContact CG-CE1 3.98Å; F167-F258 HydrophobicContact CG-CE1 3.98Å; F167-F258 AromaticContact CG-CZ 3.89Å; F167-F258 HydrophobicContact CG-CZ 3.89Å; V169-F258 HydrophobicContact CG1-CB 4.22Å; V169-F258 HydrophobicContact CG1-CD1 4.44Å; V169-F258 HydrophobicContact CG1-CG 4.33Å; V169-F258 HydrophobicContact CG2-CD1 3.87Å; V169-F258 HydrophobicContact CG2-CE1 4.22Å; T171-F258 WeakPolarHBondContact OG1-CB 3.27Å; T171-F258 WeakPolarHBondContact OG1-CD2 3.33Å; A254-F258 PolarHBondContact O-N 3.32Å; G255-F258 PolarHBondContact O-N 2.96Å; A256-F258 VanDerWaalsContact C-N 3.32Å; A256-F258 PolarHBondContact O-N 3.2Å; F258-S261 PolarHBondContact O-N 2.96Å; F258-L262 HydrophobicContact CD1-CD1 3.83Å; F258-L262 HydrophobicContact CE1-CD1 3.48Å; F258-L262 VanDerWaalsContact CE1-CD1 3.48Å; F258-L262 HydrophobicContact CE1-CG 4.24Å; F258-L262 HydrophobicContact CZ-CD1 4.15Å; F258-L262 HydrophobicContact CZ-CG 4.5Å; F258-L262 PolarHBondContact O-N 2.91Å; F258-E274 HydrophobicContact CD2-CB 3.95Å; F258-E274 HydrophobicContact CD2-CG 4.15Å; F258-E274 HydrophobicContact CE2-CB 3.83Å; F258-E274 HydrophobicContact CE2-CG 4.45Å
259	V	98.8	Very high	98.4	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-62.3	-43.4	175.6	172.8	0	0	0	0	111.1	V27 L44 V95 V97 G255 A256 R257 L262 V263	V27-V259 HydrophobicContact CG1-CG1 4.45Å; V27-V259 HydrophobicContact CG2-CG1 4.46Å; L44-V259 HydrophobicContact CD2-CB 4.08Å; L44-V259 HydrophobicContact CD2-CG1 3.69Å; L44-V259 HydrophobicContact CD2-CG2 4.5Å; V95-V259 HydrophobicContact CG1-CG1 4.31Å; V95-V259 HydrophobicContact CG1-CG2 4.42Å; V97-V259 HydrophobicContact CG2-CG2 3.48Å; V97-V259 VanDerWaalsContact CG2-CG2 3.48Å; G255-V259 WeakPolarHBondContact O-CG2 3.44Å; G255-V259 PolarHBondContact O-N 3.33Å; A256-V259 PolarHBondContact O-N 3.46Å; R257-V259 PolarHBondContact O-N 2.66Å; V259-L262 WeakPolarHBondContact O-CB 3.37Å; V259-L262 PolarHBondContact O-N 2.82Å; V259-V263 HydrophobicContact CG1-CG2 4.24Å; V259-V263 VanDerWaalsContact O-CG2 3.3Å; V259-V263 WeakPolarHBondContact O-CG2 3.29Å; V259-V263 PolarHBondContact O-N 3.08Å
260	F	98.6	Very high	98.4	Very high	49 Å²	49	37 Å²	37	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-65.3	-41.1	178.4	-58.9	-30.1	0	0	0	112.1	L44 S47 L49 A256 R257 L262 V263 D264	L44-F260 HydrophobicContact CD2-CE1 3.76Å; L44-F260 HydrophobicContact CD2-CZ 4.22Å; S47-F260 VanDerWaalsContact CB-CZ 3.44Å; S47-F260 VanDerWaalsContact OG-CE1 3.28Å; S47-F260 WeakPolarHBondContact OG-CE1 3.47Å; L49-F260 HydrophobicContact CD1-CB 3.92Å; L49-F260 HydrophobicContact CD1-CD1 4.06Å; L49-F260 HydrophobicContact CD1-CG 4.22Å; A256-F260 HydrophobicContact CB-CE2 3.88Å; A256-F260 HydrophobicContact CB-CZ 4.07Å; A256-F260 WeakPolarHBondContact O-CD2 3.25Å; A256-F260 WeakPolarHBondContact O-CG 3.32Å; A256-F260 PolarHBondContact O-N 3.03Å; R257-F260 PolarHBondContact O-N 3.37Å; F260-L262 VanDerWaalsContact C-N 3.35Å; F260-L262 PolarHBondContact O-N 3.06Å; F260-V263 PolarHBondContact O-N 2.91Å; F260-D264 VanDerWaalsContact O-CB 3.29Å; F260-D264 WeakPolarHBondContact O-CB 3.21Å; F260-D264 PolarHBondContact O-N 3.36Å
261	S	98.7	Very high	98.4	Very high	19 Å²	19	37.7 Å²	37.7	13%	0.133	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-46.6	172.3	-66.5	0	0	0	0	111.2	R257 F258 D264 A265 V272 E274	R257-S261 PolarHBondContact O-N 2.9Å; R257-S261 PolarHBondContact O-OG 2.75Å; F258-S261 PolarHBondContact O-N 2.96Å; S261-D264 PolarHBondContact O-N 3.46Å; S261-A265 WeakPolarHBondContact O-CB 3.4Å; S261-A265 PolarHBondContact O-N 3.19Å; S261-V272 WeakPolarHBondContact O-CG1 3.44Å; S261-E274 PolarHBondContact OG-OE1 3.26Å
262	L	98.6	Very high	98.4	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-59.5	-48.2	174.8	-81.1	168.6	0	0	0	112.4	M136 C138 F167 F258 V259 F260 D264 A265 M266 L294	M136-L262 HydrophobicContact CB-CD1 4.45Å; C138-L262 WeakPolarHBondContact SG-CD1 3.5Å; F167-L262 HydrophobicContact CD2-CD1 4.29Å; F167-L262 HydrophobicContact CE1-CD2 4.25Å; F167-L262 HydrophobicContact CE2-CD1 4.4Å; F167-L262 HydrophobicContact CE2-CD2 3.88Å; F167-L262 HydrophobicContact CZ-CD2 3.73Å; F258-L262 HydrophobicContact CD1-CD1 3.83Å; F258-L262 HydrophobicContact CE1-CD1 3.48Å; F258-L262 VanDerWaalsContact CE1-CD1 3.48Å; F258-L262 HydrophobicContact CE1-CG 4.24Å; F258-L262 HydrophobicContact CZ-CD1 4.15Å; F258-L262 HydrophobicContact CZ-CG 4.5Å; F258-L262 PolarHBondContact O-N 2.91Å; V259-L262 WeakPolarHBondContact O-CB 3.37Å; V259-L262 PolarHBondContact O-N 2.82Å; F260-L262 VanDerWaalsContact C-N 3.35Å; F260-L262 PolarHBondContact O-N 3.06Å; L262-D264 PolarHBondContact O-N 3.12Å; L262-A265 PolarHBondContact O-N 3.24Å; L262-M266 WeakPolarHBondContact O-CB 3.08Å; L262-M266 WeakPolarHBondContact O-CG 3.39Å; L262-M266 PolarHBondContact O-N 3Å; L262-L294 HydrophobicContact CD2-CD1 3.86Å; L262-L294 HydrophobicContact CD2-CD2 4.06Å; L262-L294 HydrophobicContact CD2-CG 4.45Å; L262-L294 HydrophobicContact CG-CD1 4.09Å
263	V	98.3	Very high	98.4	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-67.1	-37.9	-178.1	175.1	0	0	0	0	111.8	A25 L49 V95 V259 F260 M266 N267	A25-V263 HydrophobicContact CB-CB 4.42Å; A25-V263 HydrophobicContact CB-CG1 3.76Å; A25-V263 HydrophobicContact CB-CG2 3.68Å; L49-V263 HydrophobicContact CB-CG1 3.88Å; L49-V263 HydrophobicContact CD1-CB 4.49Å; L49-V263 HydrophobicContact CD1-CG1 4.41Å; V95-V263 HydrophobicContact CG2-CG2 4.06Å; V259-V263 HydrophobicContact CG1-CG2 4.24Å; V259-V263 VanDerWaalsContact O-CG2 3.3Å; V259-V263 WeakPolarHBondContact O-CG2 3.29Å; V259-V263 PolarHBondContact O-N 3.08Å; F260-V263 PolarHBondContact O-N 2.91Å; V263-M266 PolarHBondContact O-N 2.88Å; V263-N267 WeakPolarHBondContact O-CB 3.31Å; V263-N267 PolarHBondContact O-N 2.84Å; V263-N267 PolarHBondContact O-ND2 2.82Å
264	D	98.2	Very high	98.4	Very high	38 Å²	38	35.1 Å²	35.1	20%	0.203	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-47.7	171.9	-94.3	-3.2	0	0	0	111.1	F260 S261 L262 N267 G268 K269 V272	F260-D264 VanDerWaalsContact O-CB 3.29Å; F260-D264 WeakPolarHBondContact O-CB 3.21Å; F260-D264 PolarHBondContact O-N 3.36Å; S261-D264 PolarHBondContact O-N 3.46Å; L262-D264 PolarHBondContact O-N 3.12Å; D264-N267 CarbonylContact O-C 3.57Å; D264-N267 WeakPolarHBondContact O-CA 3.29Å; D264-N267 WeakPolarHBondContact O-CB 3.49Å; D264-N267 PolarHBondContact O-N 3.19Å; D264-G268 PolarHBondContact O-N 2.8Å; D264-K269 HydrophobicContact CB-CB 4.13Å; D264-K269 HydrophobicContact CB-CD 3.71Å; D264-K269 VanDerWaalsContact O-CB 3.23Å; D264-K269 WeakPolarHBondContact O-CB 3.4Å; D264-K269 PolarHBondContact O-N 3.41Å; D264-K269 WeakPolarHBondContact OD2-CD 3.23Å; D264-K269 IonicContact OD2-NZ 2.61Å; D264-K269 PolarHBondContact OD2-NZ 2.78Å; D264-V272 HydrophobicContact CB-CG2 4.4Å
265	A	98.3	Very high	98.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-65.1	-38.8	177.4	0	0	0	0	0	112.3	S261 L262 N267 G268 V272 L294 G295	S261-A265 WeakPolarHBondContact O-CB 3.4Å; S261-A265 PolarHBondContact O-N 3.19Å; L262-A265 PolarHBondContact O-N 3.24Å; A265-N267 VanDerWaalsContact C-N 3.26Å; A265-N267 PolarHBondContact O-N 2.92Å; A265-G268 WeakPolarHBondContact O-CA 3.36Å; A265-G268 PolarHBondContact O-N 2.82Å; A265-V272 HydrophobicContact CB-CB 4.09Å; A265-V272 HydrophobicContact CB-CG1 4.4Å; A265-V272 HydrophobicContact CB-CG2 4.22Å; A265-L294 HydrophobicContact CB-CB 3.61Å; A265-G295 CarbonylContact O-C 3.11Å
266	M	98	Very high	98.4	Very high	44 Å²	44	35.5 Å²	35.5	22%	0.217	20%	0.199	C	C	.	.	H	α-helix	trans	-61.1	-35.5	172.6	-71.3	168.9	65.8	0	0	112.3	D94 V95 M136 L262 V263 G268	D94-M266 HydrophobicContact CB-CE 3.79Å; V95-M266 HydrophobicContact CG2-CE 4.44Å; V95-M266 HydrophobicContact CG2-SD 4.01Å; M136-M266 HydrophobicContact CE-CG 4.19Å; M136-M266 HydrophobicContact CE-SD 4.1Å; M136-M266 HydrophobicContact CG-SD 3.8Å; L262-M266 WeakPolarHBondContact O-CB 3.08Å; L262-M266 WeakPolarHBondContact O-CG 3.39Å; L262-M266 PolarHBondContact O-N 3Å; V263-M266 PolarHBondContact O-N 2.88Å; M266-G268 PolarHBondContact O-N 3.14Å
267	N	97.5	Very high	98.4	Very high	51 Å²	51	35.3 Å²	35.3	27%	0.273	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-0.1	172.7	-78.4	-39.5	0	0	0	113.9	N23 V263 D264 A265	N23-N267 WeakPolarHBondContact CA-OD1 3.46Å; N23-N267 VanDerWaalsContact CB-OD1 3.3Å; N23-N267 WeakPolarHBondContact CB-OD1 3.29Å; N23-N267 PolarHBondContact N-OD1 3.05Å; N23-N267 PolarHBondContact O-ND2 3.41Å; N23-N267 PolarHBondContact O-OD1 3.42Å; V263-N267 WeakPolarHBondContact O-CB 3.31Å; V263-N267 PolarHBondContact O-N 2.84Å; V263-N267 PolarHBondContact O-ND2 2.82Å; D264-N267 CarbonylContact O-C 3.57Å; D264-N267 WeakPolarHBondContact O-CA 3.29Å; D264-N267 WeakPolarHBondContact O-CB 3.49Å; D264-N267 PolarHBondContact O-N 3.19Å; A265-N267 VanDerWaalsContact C-N 3.26Å; A265-N267 PolarHBondContact O-N 2.92Å
268	G	96.9	Very high	98.4	Very high	33 Å²	33	32.9 Å²	32.9	34%	0.34	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	15.1	175.5	0	0	0	0	0	114.7	D264 A265 M266 E270	D264-G268 PolarHBondContact O-N 2.8Å; A265-G268 WeakPolarHBondContact O-CA 3.36Å; A265-G268 PolarHBondContact O-N 2.82Å; M266-G268 PolarHBondContact O-N 3.14Å; G268-E270 PolarHBondContact O-N 2.92Å
269	K	97.7	Very high	98.4	Very high	117 Å²	117	36 Å²	36	51%	0.509	20%	0.202	S	C	.	.			trans	-63.8	125.3	168	-173.3	-176.8	-179.2	179.3	0	109.2	D264 V272	D264-K269 HydrophobicContact CB-CB 4.13Å; D264-K269 HydrophobicContact CB-CD 3.71Å; D264-K269 VanDerWaalsContact O-CB 3.23Å; D264-K269 WeakPolarHBondContact O-CB 3.4Å; D264-K269 PolarHBondContact O-N 3.41Å; D264-K269 WeakPolarHBondContact OD2-CD 3.23Å; D264-K269 IonicContact OD2-NZ 2.61Å; D264-K269 PolarHBondContact OD2-NZ 2.78Å; K269-V272 HydrophobicContact CB-CG2 3.97Å; K269-V272 HydrophobicContact CD-CG2 3.76Å; K269-V272 HydrophobicContact CG-CG2 3.84Å
270	E	97.9	Very high	98.4	Very high	179 Å²	179	36.1 Å²	36.1	84%	0.836	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.2	157.8	179	-63.9	179.5	-168	0	0	111.8	G268 V272	G268-E270 PolarHBondContact O-N 2.92Å; E270-V272 VanDerWaalsContact C-N 3.26Å; E270-V272 PolarHBondContact O-N 2.86Å
271	G	98.1	Very high	98.3	Very high	62 Å²	62	42.2 Å²	42.2	64%	0.639	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	17.8	172.9	0	0	0	0	0	115.2	V273	G271-V273 PolarHBondContact O-N 3.27Å
272	V	98.7	Very high	98.3	Very high	11 Å²	11	45 Å²	45	7%	0.067	24%	0.243	C	C	.	.			trans	-76.4	113.4	176.7	-175.2	0	0	0	0	109.8	S261 D264 A265 K269 E270 L294	S261-V272 WeakPolarHBondContact O-CG1 3.44Å; D264-V272 HydrophobicContact CB-CG2 4.4Å; A265-V272 HydrophobicContact CB-CB 4.09Å; A265-V272 HydrophobicContact CB-CG1 4.4Å; A265-V272 HydrophobicContact CB-CG2 4.22Å; K269-V272 HydrophobicContact CB-CG2 3.97Å; K269-V272 HydrophobicContact CD-CG2 3.76Å; K269-V272 HydrophobicContact CG-CG2 3.84Å; E270-V272 VanDerWaalsContact C-N 3.26Å; E270-V272 PolarHBondContact O-N 2.86Å; V272-L294 HydrophobicContact CB-CB 4.47Å; V272-L294 HydrophobicContact CG1-CB 4.42Å; V272-L294 HydrophobicContact CG1-CD1 4.21Å; V272-L294 PolarHBondContact O-N 2.84Å
273	V	98.8	Very high	98.2	Very high	61 Å²	61	46.4 Å²	46.4	37%	0.37	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.9	-179.2	179.9	0	0	0	0	110.5	G271 P291 L292 L293 L303	G271-V273 PolarHBondContact O-N 3.27Å; V273-P291 HydrophobicContact CG1-CB 3.92Å; V273-L292 VanDerWaalsContact CA-O 3.29Å; V273-L292 WeakPolarHBondContact CA-O 3.37Å; V273-L293 HydrophobicContact CG2-CD1 4.13Å; V273-L303 HydrophobicContact CG1-CD1 3.76Å; V273-L303 HydrophobicContact CG2-CD1 3.94Å
274	E	98.9	Very high	98.2	Very high	11 Å²	11	52.5 Å²	52.5	5%	0.051	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	150.3	170.9	-71	-71.2	-170.4	0	0	110.1	R257 F258 S261 L292 L294	R257-E274 IonicContact CZ-OE1 3.45Å; R257-E274 IonicContact CZ-OE2 3.17Å; R257-E274 IonicContact NE-OE1 2.75Å; R257-E274 PolarHBondContact NE-OE1 2.85Å; R257-E274 IonicContact NE-OE2 2.95Å; R257-E274 IonicContact NH2-OE1 2.55Å; R257-E274 PolarHBondContact NH2-OE1 3.5Å; R257-E274 IonicContact NH2-OE2 3.44Å; R257-E274 PolarHBondContact NH2-OE2 2.81Å; F258-E274 HydrophobicContact CD2-CB 3.95Å; F258-E274 HydrophobicContact CD2-CG 4.15Å; F258-E274 HydrophobicContact CE2-CB 3.83Å; F258-E274 HydrophobicContact CE2-CG 4.45Å; S261-E274 PolarHBondContact OG-OE1 3.26Å; E274-L292 PolarHBondContact N-O 2.86Å; E274-L292 VanDerWaalsContact N-O 3.16Å; E274-L292 PolarHBondContact O-N 2.76Å; E274-L294 HydrophobicContact CB-CD1 4.29Å; E274-L294 HydrophobicContact CG-CD1 4.35Å
275	C	98.8	Very high	98.2	Very high	9 Å²	9	50.8 Å²	50.8	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	138.5	168.4	-64	0	0	0	0	109.9	T170 I174 T290	T170-C275 PolarHBondContact OG1-O 3.03Å; I174-C275 HydrophobicContact CD1-CB 3.65Å; I174-C275 HydrophobicContact CG1-CB 3.99Å; C275-T290 WeakPolarHBondContact CA-O 3.36Å
276	S	98.9	Very high	98.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	145.3	176	-175.5	0	0	0	0	111.4	F167 G168 V278 S289 T290	F167-S276 WeakPolarHBondContact CB-OG 3.31Å; G168-S276 PolarHBondContact N-OG 2.93Å; G168-S276 PolarHBondContact O-OG 2.89Å; S276-V278 PolarHBondContact O-N 3.07Å; S276-S289 VanDerWaalsContact O-CA 3.28Å; S276-S289 WeakPolarHBondContact O-CA 3.35Å; S276-T290 PolarHBondContact N-O 3.17Å
277	F	98.9	Very high	98.3	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	107.6	175	-171.3	-102.6	0	0	0	110.7	V144 I148 G168 T170 G198 Y287 L323 I327	V144-F277 HydrophobicContact CG1-CB 4.22Å; V144-F277 HydrophobicContact CG1-CD1 4.3Å; I148-F277 HydrophobicContact CB-CD1 3.84Å; I148-F277 HydrophobicContact CB-CE1 4.1Å; I148-F277 HydrophobicContact CG1-CD1 4.07Å; I148-F277 HydrophobicContact CG2-CD1 3.91Å; I148-F277 HydrophobicContact CG2-CE1 4.13Å; G168-F277 WeakPolarHBondContact CA-O 3.15Å; G168-F277 PolarHBondContact N-O 3.19Å; G168-F277 PolarHBondContact O-N 3.24Å; T170-F277 HydrophobicContact CG2-CB 3.78Å; G198-F277 VanDerWaalsContact O-CD2 3.27Å; G198-F277 WeakPolarHBondContact O-CD2 3.16Å; G198-F277 WeakPolarHBondContact O-CE2 3.18Å; F277-Y287 HydrophobicContact CE1-CG 4.34Å; F277-Y287 VanDerWaalsContact CZ-CB 3.41Å; F277-L323 HydrophobicContact CE2-CD2 4.03Å; F277-L323 HydrophobicContact CZ-CD2 4.47Å; F277-I327 HydrophobicContact CZ-CD1 4.37Å; F277-I327 HydrophobicContact CZ-CG1 4.27Å
278	V	98.9	Very high	98.3	Very high	1 Å²	1	49 Å²	49	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	170.6	-169.6	-63.7	0	0	0	0	111.2	F167 S276 S280 Y287 F288 L292 I299	F167-V278 HydrophobicContact CD1-CG1 3.91Å; S276-V278 PolarHBondContact O-N 3.07Å; V278-S280 PolarHBondContact O-N 2.83Å; V278-Y287 CarbonylContact O-C 3.6Å; V278-Y287 WeakPolarHBondContact O-CA 3.4Å; V278-F288 PolarHBondContact N-O 3.34Å; V278-F288 PolarHBondContact O-N 3.18Å; V278-L292 HydrophobicContact CB-CD1 4.33Å; V278-L292 HydrophobicContact CG1-CD1 3.57Å; V278-L292 HydrophobicContact CG2-CD1 3.83Å; V278-L292 HydrophobicContact CG2-CD2 4.01Å; V278-I299 HydrophobicContact CB-CD1 3.89Å; V278-I299 HydrophobicContact CG1-CD1 3.77Å; V278-I299 HydrophobicContact CG2-CD1 4.07Å
279	K	98.8	Very high	98.4	Very high	67 Å²	67	47.4 Å²	47.4	29%	0.291	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	123.4	166.8	179.3	73.9	-162.3	67.7	0	108.2	Y161 P163 T286 Y287	Y161-K279 WeakPolarHBondContact OH-CB 3.36Å; P163-K279 HydrophobicContact CB-CB 3.97Å; P163-K279 HydrophobicContact CB-CG 4.22Å; K279-T286 VanDerWaalsContact CD-O 3.23Å; K279-T286 WeakPolarHBondContact CD-O 3.42Å; K279-T286 WeakPolarHBondContact CE-O 3.27Å; K279-T286 PolarHBondContact NZ-O 3.33Å; K279-Y287 HydrophobicContact CB-CD1 4.21Å; K279-Y287 HydrophobicContact CB-CE1 4.07Å; K279-Y287 HydrophobicContact CD-CD1 4.44Å; K279-Y287 HydrophobicContact CD-CE1 4.01Å
280	S	98.6	Very high	98.5	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.021	22%	0.224	C	C	.	.			trans	-132	158.3	-170.3	-175.1	0	0	0	0	111.8	V278 E282 T286	V278-S280 PolarHBondContact O-N 2.83Å; S280-E282 WeakPolarHBondContact OG-CG 3.48Å; S280-E282 PolarHBondContact OG-N 2.8Å; S280-T286 PolarHBondContact N-O 2.9Å
281	Q	97.8	Very high	98.5	Very high	176 Å²	176	34.1 Å²	34.1	82%	0.822	19%	0.189	S	C	*	.			trans	-127.4	7.1	170.2	-60.9	-179.7	6.9	0	0	111.2	T283	Q281-T283 PolarHBondContact O-N 3.19Å
282	E	97.7	Very high	98.6	Very high	78 Å²	78	31.2 Å²	31.2	36%	0.364	16%	0.159	S	C	.	.	S	Bend	trans	-71.1	-17.3	-176.1	-53.6	-54.5	134.2	0	0	112.7	S280 T290 N302 G304 I305	S280-E282 WeakPolarHBondContact OG-CG 3.48Å; S280-E282 PolarHBondContact OG-N 2.8Å; E282-T290 HydrophobicContact CB-CG2 4.46Å; E282-T290 HydrophobicContact CG-CG2 4.08Å; E282-N302 PolarHBondContact OE1-ND2 2.78Å; E282-G304 WeakPolarHBondContact OE2-CA 3.38Å; E282-I305 HydrophobicContact CB-CD1 4.49Å; E282-I305 HydrophobicContact CB-CG1 4.47Å
283	T	97.5	Very high	98.6	Very high	31 Å²	31	32.9 Å²	32.9	19%	0.19	17%	0.167	C	C	.	.	S	Bend	trans	-143.2	180	176.9	69.1	0	0	0	0	109.3	Q281 C285 F288 I305	Q281-T283 PolarHBondContact O-N 3.19Å; T283-C285 PolarHBondContact O-N 2.86Å; T283-C285 WeakPolarHBondContact OG1-CB 3.32Å; T283-C285 PolarHBondContact OG1-N 2.81Å; T283-F288 HydrophobicContact CG2-CD2 4.13Å; T283-F288 HydrophobicContact CG2-CE1 4.38Å; T283-F288 HydrophobicContact CG2-CE2 3.97Å; T283-F288 HydrophobicContact CG2-CG 4.4Å; T283-F288 HydrophobicContact CG2-CZ 4.09Å; T283-I305 HydrophobicContact CG2-CD1 3.74Å
284	E	97.4	Very high	98.6	Very high	129 Å²	129	30.2 Å²	30.2	60%	0.603	15%	0.15	S	C	*	.	S	Bend	trans	-68.9	-6.4	168.9	56.5	179.1	151.7	0	0	114.4	I320 K324	E284-I320 HydrophobicContact CG-CD1 4.43Å; E284-I320 HydrophobicContact CG-CG2 3.86Å; E284-I320 WeakPolarHBondContact OE1-CG2 3.48Å; E284-K324 WeakPolarHBondContact OE2-CE 3.44Å; E284-K324 IonicContact OE2-NZ 3.65Å; E284-K324 PolarHBondContact OE2-NZ 3.19Å
285	C	98.2	Very high	98.5	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	15%	0.153	C	C	.	.	S	Bend	trans	-80.3	128.3	169.7	-65.3	0	0	0	0	110.1	T283 Y287 F288 I327	T283-C285 PolarHBondContact O-N 2.86Å; T283-C285 WeakPolarHBondContact OG1-CB 3.32Å; T283-C285 PolarHBondContact OG1-N 2.81Å; C285-Y287 WeakPolarHBondContact CB-O 3.47Å; C285-Y287 PolarHBondContact O-N 3.4Å; C285-F288 HydrophobicContact CB-CD2 4.21Å; C285-I327 HydrophobicContact CB-CD1 4.04Å
286	T	98.6	Very high	98.5	Very high	56 Å²	56	36.8 Å²	36.8	34%	0.344	18%	0.181	S	C	.	.	S	Bend	trans	-66.5	-20.5	179.8	52.9	0	0	0	0	113	K279 S280 I327	K279-T286 VanDerWaalsContact CD-O 3.23Å; K279-T286 WeakPolarHBondContact CD-O 3.42Å; K279-T286 WeakPolarHBondContact CE-O 3.27Å; K279-T286 PolarHBondContact NZ-O 3.33Å; S280-T286 PolarHBondContact N-O 2.9Å; T286-I327 WeakPolarHBondContact OG1-CG2 3.41Å
287	Y	98.9	Very high	98.4	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.9	171.9	-56.6	-95.6	0	0	0	109.8	I148 P149 A152 F277 V278 K279 C285 I327	I148-Y287 HydrophobicContact CG2-CD1 3.64Å; I148-Y287 HydrophobicContact CG2-CE1 4Å; I148-Y287 HydrophobicContact CG2-CG 4.43Å; P149-Y287 HydrophobicContact CB-CD2 4.36Å; P149-Y287 HydrophobicContact CB-CE2 3.96Å; P149-Y287 HydrophobicContact CG-CD2 3.86Å; P149-Y287 HydrophobicContact CG-CE2 3.97Å; P149-Y287 HydrophobicContact CG-CG 4.31Å; A152-Y287 HydrophobicContact CB-CE1 3.98Å; A152-Y287 WeakPolarHBondContact CB-OH 3.44Å; F277-Y287 HydrophobicContact CE1-CG 4.34Å; F277-Y287 VanDerWaalsContact CZ-CB 3.41Å; V278-Y287 CarbonylContact O-C 3.6Å; V278-Y287 WeakPolarHBondContact O-CA 3.4Å; K279-Y287 HydrophobicContact CB-CD1 4.21Å; K279-Y287 HydrophobicContact CB-CE1 4.07Å; K279-Y287 HydrophobicContact CD-CD1 4.44Å; K279-Y287 HydrophobicContact CD-CE1 4.01Å; C285-Y287 WeakPolarHBondContact CB-O 3.47Å; C285-Y287 PolarHBondContact O-N 3.4Å; Y287-I327 HydrophobicContact CD2-CD1 4.23Å; Y287-I327 HydrophobicContact CD2-CG1 4.11Å; Y287-I327 HydrophobicContact CD2-CG2 3.7Å; Y287-I327 HydrophobicContact CE2-CG2 4.06Å; Y287-I327 WeakPolarHBondContact O-CD1 3.44Å
288	F	98.8	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	148	-178.5	-156	-94.8	0	0	0	109.9	I197 G198 I206 V278 T283 C285 T290 I305 L323	I197-F288 HydrophobicContact CB-CE1 4.03Å; I197-F288 HydrophobicContact CD1-CE1 4.04Å; I197-F288 HydrophobicContact CD1-CZ 4.38Å; I197-F288 HydrophobicContact CG1-CE1 4.21Å; G198-F288 VanDerWaalsContact CA-CZ 3.42Å; G198-F288 VanDerWaalsContact N-CE1 3.3Å; I206-F288 HydrophobicContact CD1-CZ 4.45Å; V278-F288 PolarHBondContact N-O 3.34Å; V278-F288 PolarHBondContact O-N 3.18Å; T283-F288 HydrophobicContact CG2-CD2 4.13Å; T283-F288 HydrophobicContact CG2-CE1 4.38Å; T283-F288 HydrophobicContact CG2-CE2 3.97Å; T283-F288 HydrophobicContact CG2-CG 4.4Å; T283-F288 HydrophobicContact CG2-CZ 4.09Å; C285-F288 HydrophobicContact CB-CD2 4.21Å; F288-T290 HydrophobicContact CD1-CG2 3.94Å; F288-T290 HydrophobicContact CE1-CG2 4.33Å; F288-I305 HydrophobicContact CE1-CD1 4.44Å; F288-I305 HydrophobicContact CE1-CG1 4.43Å; F288-L323 HydrophobicContact CD2-CD1 3.67Å; F288-L323 HydrophobicContact CE2-CD1 3.55Å
289	S	98.9	Very high	98.4	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	126.3	173.7	-175.3	0	0	0	0	110.4	T170 V196 I197 G198 S276	T170-S289 PolarHBondContact OG1-OG 3.18Å; V196-S289 PolarHBondContact O-OG 2.94Å; I197-S289 CarbonylContact C-O 3.57Å; I197-S289 WeakPolarHBondContact CA-O 3.26Å; I197-S289 WeakPolarHBondContact CB-O 3.36Å; G198-S289 PolarHBondContact N-O 2.81Å; G198-S289 WeakPolarHBondContact O-CB 3.33Å; G198-S289 PolarHBondContact O-N 3.17Å; S276-S289 VanDerWaalsContact O-CA 3.28Å; S276-S289 WeakPolarHBondContact O-CA 3.35Å
290	T	98.9	Very high	98.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	166.1	172.7	44.3	0	0	0	0	109.2	I197 C275 S276 E282 F288 L292 N302 I305	I197-T290 HydrophobicContact CG2-CG2 4.49Å; C275-T290 WeakPolarHBondContact CA-O 3.36Å; S276-T290 PolarHBondContact N-O 3.17Å; E282-T290 HydrophobicContact CB-CG2 4.46Å; E282-T290 HydrophobicContact CG-CG2 4.08Å; F288-T290 HydrophobicContact CD1-CG2 3.94Å; F288-T290 HydrophobicContact CE1-CG2 4.33Å; T290-L292 WeakPolarHBondContact O-CG 3.2Å; T290-L292 PolarHBondContact O-N 2.98Å; T290-N302 WeakPolarHBondContact CB-OD1 3.34Å; T290-N302 VanDerWaalsContact OG1-CG 3.28Å; T290-N302 PolarHBondContact OG1-ND2 3.24Å; T290-N302 PolarHBondContact OG1-OD1 3.26Å; T290-I305 HydrophobicContact CG2-CG1 4.16Å
291	P	98.9	Very high	98.3	Very high	17 Å²	17	53.7 Å²	53.7	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	131	169	-18.9	32.2	0	0	0	110.9	P195 V273 L303 G304	P195-P291 HydrophobicContact CB-CG 4.11Å; V273-P291 HydrophobicContact CG1-CB 3.92Å; P291-L303 HydrophobicContact CB-CB 4.25Å; P291-L303 HydrophobicContact CB-CD1 4.18Å; P291-L303 VanDerWaalsContact O-CB 3.27Å; P291-L303 WeakPolarHBondContact O-CB 3.46Å; P291-L303 PolarHBondContact O-N 2.99Å; P291-G304 WeakPolarHBondContact CD-O 3.44Å
292	L	98.9	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	126.6	-178.3	-51.9	175.4	0	0	0	108.7	F167 V273 E274 V278 T290 L294 I299 N302	F167-L292 HydrophobicContact CE1-CD1 4.45Å; V273-L292 VanDerWaalsContact CA-O 3.29Å; V273-L292 WeakPolarHBondContact CA-O 3.37Å; E274-L292 PolarHBondContact N-O 2.86Å; E274-L292 VanDerWaalsContact N-O 3.16Å; E274-L292 PolarHBondContact O-N 2.76Å; V278-L292 HydrophobicContact CB-CD1 4.33Å; V278-L292 HydrophobicContact CG1-CD1 3.57Å; V278-L292 HydrophobicContact CG2-CD1 3.83Å; V278-L292 HydrophobicContact CG2-CD2 4.01Å; T290-L292 WeakPolarHBondContact O-CG 3.2Å; T290-L292 PolarHBondContact O-N 2.98Å; L292-L294 HydrophobicContact CB-CD2 4.22Å; L292-L294 PolarHBondContact O-N 2.91Å; L292-I299 HydrophobicContact CB-CG2 4.48Å; L292-I299 HydrophobicContact CD1-CD1 3.98Å; L292-I299 HydrophobicContact CD1-CG1 4.07Å; L292-I299 HydrophobicContact CD2-CG2 4.39Å; L292-N302 HydrophobicContact CD2-CB 4.01Å
293	L	98.8	Very high	98.4	Very high	46 Å²	46	47.1 Å²	47.1	24%	0.241	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	120.4	161.8	-179.7	66.2	0	0	0	107.8	V273 E300 K301 L303	V273-L293 HydrophobicContact CG2-CD1 4.13Å; L293-E300 HydrophobicContact CD2-CB 4.4Å; L293-E300 HydrophobicContact CD2-CG 4.31Å; L293-E300 HydrophobicContact CG-CB 4.21Å; L293-E300 WeakPolarHBondContact O-CA 3.42Å; L293-E300 WeakPolarHBondContact O-CB 3.38Å; L293-E300 PolarHBondContact O-N 3.02Å; L293-K301 HydrophobicContact CB-CB 4.08Å; L293-K301 HydrophobicContact CD2-CB 4.29Å; L293-K301 PolarHBondContact N-O 3.27Å; L293-K301 PolarHBondContact O-N 3.16Å; L293-K301 VanDerWaalsContact O-N 3.14Å; L293-L303 HydrophobicContact CB-CD2 4.26Å
294	L	98.8	Very high	98.5	Very high	5 Å²	5	46 Å²	46	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	148.6	177.4	-56.2	178.3	0	0	0	110	F167 L262 A265 V272 E274 L292 G298	F167-L294 HydrophobicContact CE1-CD2 3.96Å; F167-L294 HydrophobicContact CZ-CD2 4.4Å; L262-L294 HydrophobicContact CD2-CD1 3.86Å; L262-L294 HydrophobicContact CD2-CD2 4.06Å; L262-L294 HydrophobicContact CD2-CG 4.45Å; L262-L294 HydrophobicContact CG-CD1 4.09Å; A265-L294 HydrophobicContact CB-CB 3.61Å; V272-L294 HydrophobicContact CB-CB 4.47Å; V272-L294 HydrophobicContact CG1-CB 4.42Å; V272-L294 HydrophobicContact CG1-CD1 4.21Å; V272-L294 PolarHBondContact O-N 2.84Å; E274-L294 HydrophobicContact CB-CD1 4.29Å; E274-L294 HydrophobicContact CG-CD1 4.35Å; L292-L294 HydrophobicContact CB-CD2 4.22Å; L292-L294 PolarHBondContact O-N 2.91Å; L294-G298 CarbonylContact C-O 3.49Å; L294-G298 WeakPolarHBondContact CA-O 3.45Å
295	G	98.3	Very high	98.5	Very high	10 Å²	10	41.2 Å²	41.2	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-167.4	179.1	0	0	0	0	0	112.6	A265 K297 G298	A265-G295 CarbonylContact O-C 3.11Å; G295-K297 PolarHBondContact O-N 3.2Å; G295-K297 VanDerWaalsContact O-N 3.07Å; G295-G298 PolarHBondContact N-O 2.85Å; G295-G298 PolarHBondContact O-N 3.34Å
296	K	97.5	Very high	98.5	Very high	149 Å²	149	43.9 Å²	43.9	65%	0.648	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.5	-175	-67.2	-170.8	176.6	179.2	0	114.4
297	K	97	Very high	98.5	Very high	156 Å²	156	50.3 Å²	50.3	68%	0.678	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114	20.6	-176.9	-63.8	-178.9	179.9	177.3	0	113.1	G295	G295-K297 PolarHBondContact O-N 3.2Å; G295-K297 VanDerWaalsContact O-N 3.07Å
298	G	98.4	Very high	98.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.1	-124.9	-179.4	0	0	0	0	0	110.4	M136 N164 L294 G295 E300	M136-G298 VanDerWaalsContact CE-CA 3.5Å; N164-G298 CarbonylContact O-C 3.5Å; N164-G298 WeakPolarHBondContact O-CA 3.49Å; L294-G298 CarbonylContact C-O 3.49Å; L294-G298 WeakPolarHBondContact CA-O 3.45Å; G295-G298 PolarHBondContact N-O 2.85Å; G295-G298 PolarHBondContact O-N 3.34Å; G298-E300 PolarHBondContact O-N 2.81Å
299	I	98.7	Very high	98.4	Very high	15 Å²	15	53.7 Å²	53.7	8%	0.077	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	115.7	174.6	-53.3	173.1	0	0	0	109.1	N164 F167 V278 L292	N164-I299 HydrophobicContact CB-CB 4.08Å; N164-I299 PolarHBondContact ND2-O 3.33Å; N164-I299 PolarHBondContact O-N 3.31Å; F167-I299 HydrophobicContact CD1-CG1 4.38Å; F167-I299 HydrophobicContact CE1-CD1 4.01Å; F167-I299 HydrophobicContact CE1-CG1 3.39Å; F167-I299 HydrophobicContact CZ-CG1 3.8Å; V278-I299 HydrophobicContact CB-CD1 3.89Å; V278-I299 HydrophobicContact CG1-CD1 3.77Å; V278-I299 HydrophobicContact CG2-CD1 4.07Å; L292-I299 HydrophobicContact CB-CG2 4.48Å; L292-I299 HydrophobicContact CD1-CD1 3.98Å; L292-I299 HydrophobicContact CD1-CG1 4.07Å; L292-I299 HydrophobicContact CD2-CG2 4.39Å
300	E	98.6	Very high	98.4	Very high	125 Å²	125	58.9 Å²	58.9	58%	0.584	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	-43.6	173	-169.3	69.3	-161.3	0	0	110.2	L293 G298	L293-E300 HydrophobicContact CD2-CB 4.4Å; L293-E300 HydrophobicContact CD2-CG 4.31Å; L293-E300 HydrophobicContact CG-CB 4.21Å; L293-E300 WeakPolarHBondContact O-CA 3.42Å; L293-E300 WeakPolarHBondContact O-CB 3.38Å; L293-E300 PolarHBondContact O-N 3.02Å; G298-E300 PolarHBondContact O-N 2.81Å
301	K	98.6	Very high	98.3	Very high	129 Å²	129	61.4 Å²	61.4	56%	0.561	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-153	132.1	178.2	-176.8	177.3	178.4	-179.9	0	111.4	L293 L303	L293-K301 HydrophobicContact CB-CB 4.08Å; L293-K301 HydrophobicContact CD2-CB 4.29Å; L293-K301 PolarHBondContact N-O 3.27Å; L293-K301 PolarHBondContact O-N 3.16Å; L293-K301 VanDerWaalsContact O-N 3.14Å; K301-L303 HydrophobicContact CD-CD2 4.12Å; K301-L303 HydrophobicContact CG-CD2 4.21Å
302	N	98.6	Very high	98.3	Very high	38 Å²	38	60.8 Å²	60.8	20%	0.203	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.8	164.3	-166.8	-22.7	0	0	0	108.8	E282 T290 L292 G304	E282-N302 PolarHBondContact OE1-ND2 2.78Å; T290-N302 WeakPolarHBondContact CB-OD1 3.34Å; T290-N302 VanDerWaalsContact OG1-CG 3.28Å; T290-N302 PolarHBondContact OG1-ND2 3.24Å; T290-N302 PolarHBondContact OG1-OD1 3.26Å; L292-N302 HydrophobicContact CD2-CB 4.01Å; N302-G304 VanDerWaalsContact C-N 3.27Å; N302-G304 PolarHBondContact OD1-N 3.4Å
303	L	98.7	Very high	98.3	Very high	78 Å²	78	65.9 Å²	65.9	41%	0.408	34%	0.342	S	S	.	.			trans	-84.8	-4.5	-178.7	-55.4	179	0	0	0	112.6	V273 P291 L293 K301	V273-L303 HydrophobicContact CG1-CD1 3.76Å; V273-L303 HydrophobicContact CG2-CD1 3.94Å; P291-L303 HydrophobicContact CB-CB 4.25Å; P291-L303 HydrophobicContact CB-CD1 4.18Å; P291-L303 VanDerWaalsContact O-CB 3.27Å; P291-L303 WeakPolarHBondContact O-CB 3.46Å; P291-L303 PolarHBondContact O-N 2.99Å; L293-L303 HydrophobicContact CB-CD2 4.26Å; K301-L303 HydrophobicContact CD-CD2 4.12Å; K301-L303 HydrophobicContact CG-CD2 4.21Å
304	G	98.4	Very high	98.3	Very high	7 Å²	7	70.2 Å²	70.2	7%	0.072	36%	0.359	C	S	.	.			trans	71.9	-167.5	174.9	0	0	0	0	0	114	E282 P291 N302	E282-G304 WeakPolarHBondContact OE2-CA 3.38Å; P291-G304 WeakPolarHBondContact CD-O 3.44Å; N302-G304 VanDerWaalsContact C-N 3.27Å; N302-G304 PolarHBondContact OD1-N 3.4Å
305	I	98.5	Very high	98.3	Very high	29 Å²	29	70.9 Å²	70.9	15%	0.149	36%	0.362	C	S	.	.	S	Bend	trans	-77.2	-30	-177.9	-67.1	170.5	0	0	0	111.6	I197 Q211 E282 T283 F288 T290 V308 I316	I197-I305 HydrophobicContact CD1-CB 4.48Å; I197-I305 HydrophobicContact CD1-CG1 4.09Å; I197-I305 HydrophobicContact CD1-CG2 3.93Å; Q211-I305 PolarHBondContact NE2-O 3.48Å; E282-I305 HydrophobicContact CB-CD1 4.49Å; E282-I305 HydrophobicContact CB-CG1 4.47Å; T283-I305 HydrophobicContact CG2-CD1 3.74Å; F288-I305 HydrophobicContact CE1-CD1 4.44Å; F288-I305 HydrophobicContact CE1-CG1 4.43Å; T290-I305 HydrophobicContact CG2-CG1 4.16Å; I305-V308 HydrophobicContact CG2-CG1 3.56Å; I305-I316 HydrophobicContact CD1-CD1 4.46Å; I305-I316 HydrophobicContact CG2-CD1 3.88Å
306	G	97.7	Very high	98.3	Very high	58 Å²	58	70.8 Å²	70.8	60%	0.598	36%	0.359	S	S	*	.			trans	69.6	-160.9	-173.9	0	0	0	0	0	112.8
307	K	98.2	Very high	98.3	Very high	192 Å²	192	67.1 Å²	67.1	84%	0.835	35%	0.352	S	S	*	.	S	Bend	trans	-83	124.8	177.6	-175.2	-178.8	179.6	-179.1	0	109.7	Q211	Q211-K307 PolarHBondContact NE2-O 2.94Å
308	V	98.3	Very high	98.4	Very high	32 Å²	32	63.5 Å²	63.5	19%	0.194	34%	0.34	C	S	.	.			trans	-119.4	158.9	-179.4	-65.4	0	0	0	0	111.9	L208 I305 E312 E313 I316	L208-V308 HydrophobicContact CD1-CG1 4.12Å; L208-V308 HydrophobicContact CD2-CG1 3.89Å; I305-V308 HydrophobicContact CG2-CG1 3.56Å; V308-E312 HydrophobicContact CB-CB 4Å; V308-E312 HydrophobicContact CG1-CB 4.47Å; V308-E313 HydrophobicContact CG2-CB 4.45Å; V308-E313 WeakPolarHBondContact CG2-OE2 3.3Å; V308-I316 HydrophobicContact CG1-CD1 4.45Å; V308-I316 HydrophobicContact CG2-CD1 4.35Å
309	S	98	Very high	98.4	Very high	40 Å²	40	63.5 Å²	63.5	28%	0.28	34%	0.34	S	S	.	.			trans	-79.3	163.5	171.8	65.8	0	0	0	0	111.6	F311 E312 E313	S309-F311 PolarHBondContact O-N 3.45Å; S309-E312 WeakPolarHBondContact CB-OE2 3.45Å; S309-E312 PolarHBondContact N-OE2 3.33Å; S309-E312 PolarHBondContact O-N 3.2Å; S309-E312 VanDerWaalsContact O-N 3.12Å; S309-E312 WeakPolarHBondContact OG-CG 3.23Å; S309-E312 PolarHBondContact OG-N 2.67Å; S309-E312 PolarHBondContact OG-OE2 3.2Å; S309-E313 PolarHBondContact O-N 2.89Å
310	S	98	Very high	98.4	Very high	111 Å²	111	63.8 Å²	63.8	78%	0.776	34%	0.342	S	S	*	.	H	α-helix	trans	-61	-29.2	175.6	-52.1	0	0	0	0	113.3	K314	S310-K314 PolarHBondContact O-N 2.97Å
311	F	98.1	Very high	98.3	Very high	53 Å²	53	61.7 Å²	61.7	23%	0.232	34%	0.339	C	S	.	.	H	α-helix	trans	-66.3	-45.3	174.3	177.1	-105.8	0	0	0	111.2	L223 T227 S309 K314 M315	L223-F311 HydrophobicContact CD2-CD1 4.1Å; L223-F311 HydrophobicContact CD2-CE1 4.42Å; L223-F311 HydrophobicContact CG-CD1 4.41Å; L223-F311 HydrophobicContact CG-CE1 4.24Å; T227-F311 HydrophobicContact CG2-CE1 4.39Å; T227-F311 HydrophobicContact CG2-CZ 4.5Å; S309-F311 PolarHBondContact O-N 3.45Å; F311-K314 PolarHBondContact O-N 3.31Å; F311-M315 HydrophobicContact CD1-CE 3.73Å; F311-M315 HydrophobicContact CD1-SD 4.5Å; F311-M315 HydrophobicContact CE1-CE 3.57Å; F311-M315 HydrophobicContact CE1-SD 3.9Å; F311-M315 HydrophobicContact CZ-CE 4.48Å; F311-M315 HydrophobicContact CZ-SD 4.26Å; F311-M315 PolarHBondContact O-N 3.03Å
312	E	98.6	Very high	98.3	Very high	3 Å²	3	58.4 Å²	58.4	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-70.7	-37.4	178.2	-69.5	153.5	162	0	0	112.5	L208 I209 S210 V308 S309 K314 M315 I316	L208-E312 VanDerWaalsContact C-OE1 3.25Å; L208-E312 WeakPolarHBondContact CA-OE1 3.5Å; L208-E312 HydrophobicContact CD2-CB 3.97Å; L208-E312 HydrophobicContact CD2-CG 3.89Å; I209-E312 PolarHBondContact N-OE1 3.03Å; I209-E312 VanDerWaalsContact N-OE1 3.09Å; S210-E312 WeakPolarHBondContact CB-OE1 3.43Å; S210-E312 VanDerWaalsContact CB-OE2 3.31Å; S210-E312 WeakPolarHBondContact CB-OE2 3.47Å; S210-E312 PolarHBondContact N-OE1 2.98Å; S210-E312 PolarHBondContact OG-OE1 3.43Å; S210-E312 PolarHBondContact OG-OE2 3Å; V308-E312 HydrophobicContact CB-CB 4Å; V308-E312 HydrophobicContact CG1-CB 4.47Å; S309-E312 WeakPolarHBondContact CB-OE2 3.45Å; S309-E312 PolarHBondContact N-OE2 3.33Å; S309-E312 PolarHBondContact O-N 3.2Å; S309-E312 VanDerWaalsContact O-N 3.12Å; S309-E312 WeakPolarHBondContact OG-CG 3.23Å; S309-E312 PolarHBondContact OG-N 2.67Å; S309-E312 PolarHBondContact OG-OE2 3.2Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 3.32Å; E312-M315 HydrophobicContact CB-CE 4.05Å; E312-M315 HydrophobicContact CG-CE 3.57Å; E312-M315 WeakPolarHBondContact O-CB 3.47Å; E312-M315 PolarHBondContact O-N 2.78Å; E312-M315 VanDerWaalsContact O-N 3.1Å; E312-I316 WeakPolarHBondContact O-CG1 3.47Å; E312-I316 PolarHBondContact O-N 2.89Å
313	E	98.3	Very high	98.3	Very high	107 Å²	107	56.6 Å²	56.6	50%	0.5	32%	0.316	S	S	.	.	H	α-helix	trans	-57.2	-43.3	173.4	-172.4	63	-150.5	0	0	111.4	V308 S309 M315 I316 S317	V308-E313 HydrophobicContact CG2-CB 4.45Å; V308-E313 WeakPolarHBondContact CG2-OE2 3.3Å; S309-E313 PolarHBondContact O-N 2.89Å; E313-M315 PolarHBondContact O-N 3.44Å; E313-I316 PolarHBondContact O-N 3.24Å; E313-S317 PolarHBondContact O-N 3.32Å
314	K	98.3	Very high	98.3	Very high	138 Å²	138	57 Å²	57	60%	0.6	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-41.9	175.2	-172.4	177.9	178.6	-178.2	0	111.9	S310 F311 E312 I316 S317 D318	S310-K314 PolarHBondContact O-N 2.97Å; F311-K314 PolarHBondContact O-N 3.31Å; E312-K314 VanDerWaalsContact C-N 3.28Å; E312-K314 PolarHBondContact O-N 3.32Å; K314-I316 VanDerWaalsContact C-N 3.32Å; K314-I316 PolarHBondContact O-N 3.2Å; K314-S317 PolarHBondContact O-N 3.23Å; K314-D318 WeakPolarHBondContact O-CB 3.46Å; K314-D318 PolarHBondContact O-N 3.29Å
315	M	98.6	Very high	98.3	Very high	19 Å²	19	59.6 Å²	59.6	9%	0.094	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-40.7	175.3	-68.2	-167.8	-75.4	0	0	112.1	I206 T227 F311 E312 E313 D318 A319	I206-M315 HydrophobicContact CG1-CB 4.29Å; I206-M315 HydrophobicContact CG2-CB 3.93Å; I206-M315 HydrophobicContact CG2-CE 3.9Å; I206-M315 HydrophobicContact CG2-SD 4.37Å; T227-M315 HydrophobicContact CG2-CE 4.27Å; T227-M315 HydrophobicContact CG2-SD 3.43Å; T227-M315 WeakPolarHBondContact CG2-SD 3.43Å; F311-M315 HydrophobicContact CD1-CE 3.73Å; F311-M315 HydrophobicContact CD1-SD 4.5Å; F311-M315 HydrophobicContact CE1-CE 3.57Å; F311-M315 HydrophobicContact CE1-SD 3.9Å; F311-M315 HydrophobicContact CZ-CE 4.48Å; F311-M315 HydrophobicContact CZ-SD 4.26Å; F311-M315 PolarHBondContact O-N 3.03Å; E312-M315 HydrophobicContact CB-CE 4.05Å; E312-M315 HydrophobicContact CG-CE 3.57Å; E312-M315 WeakPolarHBondContact O-CB 3.47Å; E312-M315 PolarHBondContact O-N 2.78Å; E312-M315 VanDerWaalsContact O-N 3.1Å; E313-M315 PolarHBondContact O-N 3.44Å; M315-D318 PolarHBondContact O-N 2.87Å; M315-A319 VanDerWaalsContact O-CB 3.22Å; M315-A319 WeakPolarHBondContact O-CB 3.45Å; M315-A319 PolarHBondContact O-N 3.2Å
316	I	98.6	Very high	98.2	Very high	8 Å²	8	59.3 Å²	59.3	4%	0.041	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-50.4	175.4	-65.9	163.9	0	0	0	109.9	I197 I206 I305 V308 E312 E313 K314 D318 A319 I320	I197-I316 HydrophobicContact CD1-CD1 3.85Å; I197-I316 HydrophobicContact CD1-CG1 3.94Å; I206-I316 HydrophobicContact CD1-CB 4.4Å; I206-I316 HydrophobicContact CD1-CG1 3.89Å; I206-I316 HydrophobicContact CG2-CG1 4.43Å; I305-I316 HydrophobicContact CD1-CD1 4.46Å; I305-I316 HydrophobicContact CG2-CD1 3.88Å; V308-I316 HydrophobicContact CG1-CD1 4.45Å; V308-I316 HydrophobicContact CG2-CD1 4.35Å; E312-I316 WeakPolarHBondContact O-CG1 3.47Å; E312-I316 PolarHBondContact O-N 2.89Å; E313-I316 PolarHBondContact O-N 3.24Å; K314-I316 VanDerWaalsContact C-N 3.32Å; K314-I316 PolarHBondContact O-N 3.2Å; I316-D318 VanDerWaalsContact C-N 3.35Å; I316-D318 PolarHBondContact O-N 2.94Å; I316-A319 PolarHBondContact O-N 3.16Å; I316-I320 HydrophobicContact CG2-CD1 4.05Å; I316-I320 WeakPolarHBondContact O-CG1 3.28Å; I316-I320 PolarHBondContact O-N 3.14Å; I316-I320 VanDerWaalsContact O-N 3.13Å
317	S	98.4	Very high	98.3	Very high	72 Å²	72	56.8 Å²	56.8	50%	0.503	31%	0.309	S	S	.	.	H	α-helix	trans	-57.3	-45.7	178.2	-170.4	0	0	0	0	112.3	E313 K314 A319 P321	E313-S317 PolarHBondContact O-N 3.32Å; K314-S317 PolarHBondContact O-N 3.23Å; S317-A319 VanDerWaalsContact C-N 3.32Å; S317-A319 PolarHBondContact O-N 3.35Å; S317-P321 VanDerWaalsContact O-CD 3.22Å; S317-P321 WeakPolarHBondContact O-CD 3.28Å
318	D	98.1	Very high	98.3	Very high	80 Å²	80	53.3 Å²	53.3	43%	0.428	29%	0.293	S	S	.	.	H	α-helix	trans	-70.8	-25.5	-178.9	-73.5	-21.2	0	0	0	113.3	K203 K314 M315 I316	K203-D318 WeakPolarHBondContact CE-O 3.47Å; K203-D318 PolarHBondContact NZ-O 3.26Å; K314-D318 WeakPolarHBondContact O-CB 3.46Å; K314-D318 PolarHBondContact O-N 3.29Å; M315-D318 PolarHBondContact O-N 2.87Å; I316-D318 VanDerWaalsContact C-N 3.35Å; I316-D318 PolarHBondContact O-N 2.94Å
319	A	98.3	Very high	98.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-81.7	-33.5	179.5	0	0	0	0	0	113.5	I206 M315 I316 S317 E322 L323	I206-A319 HydrophobicContact CD1-CB 3.82Å; I206-A319 HydrophobicContact CG1-CB 4.43Å; M315-A319 VanDerWaalsContact O-CB 3.22Å; M315-A319 WeakPolarHBondContact O-CB 3.45Å; M315-A319 PolarHBondContact O-N 3.2Å; I316-A319 PolarHBondContact O-N 3.16Å; S317-A319 VanDerWaalsContact C-N 3.32Å; S317-A319 PolarHBondContact O-N 3.35Å; A319-E322 PolarHBondContact O-N 3.23Å; A319-L323 HydrophobicContact CB-CD1 4.44Å; A319-L323 PolarHBondContact O-N 3.33Å
320	I	98.6	Very high	98.2	Very high	21 Å²	21	53.4 Å²	53.4	11%	0.108	29%	0.286	C	S	.	.	H	α-helix	trans	-52.8	-48.1	-175.1	-78.1	165.3	0	0	0	112.9	E284 I316 E322 L323 K324	E284-I320 HydrophobicContact CG-CD1 4.43Å; E284-I320 HydrophobicContact CG-CG2 3.86Å; E284-I320 WeakPolarHBondContact OE1-CG2 3.48Å; I316-I320 HydrophobicContact CG2-CD1 4.05Å; I316-I320 WeakPolarHBondContact O-CG1 3.28Å; I316-I320 PolarHBondContact O-N 3.14Å; I316-I320 VanDerWaalsContact O-N 3.13Å; I320-E322 VanDerWaalsContact C-N 3.35Å; I320-E322 PolarHBondContact O-N 3.43Å; I320-L323 PolarHBondContact O-N 3.07Å; I320-K324 HydrophobicContact CG2-CD 4.24Å; I320-K324 HydrophobicContact CG2-CG 4.42Å; I320-K324 WeakPolarHBondContact O-CG 3.35Å; I320-K324 PolarHBondContact O-N 3.22Å
321	P	98.4	Very high	98.2	Very high	80 Å²	80	50 Å²	50	52%	0.519	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-40.2	-179.7	-25.4	34.7	0	0	0	113.5	S317 A325	S317-P321 VanDerWaalsContact O-CD 3.22Å; S317-P321 WeakPolarHBondContact O-CD 3.28Å; P321-A325 PolarHBondContact O-N 3.02Å; P321-A325 VanDerWaalsContact O-N 3.07Å
322	E	97.6	Very high	98.2	Very high	61 Å²	61	49.9 Å²	49.9	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-38.3	179.2	-177.9	169.2	167.9	0	0	111.7	K203 T204 A319 I320 A325 S326	K203-E322 WeakPolarHBondContact CE-OE2 3.45Å; K203-E322 VanDerWaalsContact CG-OE2 3.22Å; K203-E322 WeakPolarHBondContact CG-OE2 3.31Å; K203-E322 IonicContact NZ-OE2 2.91Å; T204-E322 HydrophobicContact CG2-CB 4.07Å; T204-E322 HydrophobicContact CG2-CG 3.87Å; A319-E322 PolarHBondContact O-N 3.23Å; I320-E322 VanDerWaalsContact C-N 3.35Å; I320-E322 PolarHBondContact O-N 3.43Å; E322-A325 PolarHBondContact O-N 3.13Å; E322-S326 WeakPolarHBondContact O-CB 3.46Å; E322-S326 PolarHBondContact O-N 3.37Å; E322-S326 PolarHBondContact O-OG 3.22Å
323	L	98.3	Very high	98.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-49.2	173.1	-76.2	173.4	0	0	0	111.3	N145 T204 F277 F288 A319 I320 A325 S326 I327	N145-L323 HydrophobicContact CB-CD2 4.5Å; T204-L323 HydrophobicContact CG2-CD2 3.91Å; T204-L323 HydrophobicContact CG2-CG 3.84Å; F277-L323 HydrophobicContact CE2-CD2 4.03Å; F277-L323 HydrophobicContact CZ-CD2 4.47Å; F288-L323 HydrophobicContact CD2-CD1 3.67Å; F288-L323 HydrophobicContact CE2-CD1 3.55Å; A319-L323 HydrophobicContact CB-CD1 4.44Å; A319-L323 PolarHBondContact O-N 3.33Å; I320-L323 PolarHBondContact O-N 3.07Å; L323-A325 VanDerWaalsContact C-N 3.31Å; L323-A325 PolarHBondContact O-N 3.21Å; L323-S326 PolarHBondContact O-N 2.79Å; L323-I327 HydrophobicContact CB-CD1 4.49Å; L323-I327 WeakPolarHBondContact O-CB 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 WeakPolarHBondContact O-CG1 3.38Å; L323-I327 PolarHBondContact O-N 3.03Å
324	K	98.5	Very high	98	Very high	85 Å²	85	45.9 Å²	45.9	37%	0.37	24%	0.241	S	C	.	.	H	α-helix	trans	-56.6	-44.3	176.7	-76.9	-173.9	174.5	-174.5	0	112.3	E284 I320 I327 K328	E284-K324 WeakPolarHBondContact OE2-CE 3.44Å; E284-K324 IonicContact OE2-NZ 3.65Å; E284-K324 PolarHBondContact OE2-NZ 3.19Å; I320-K324 HydrophobicContact CG2-CD 4.24Å; I320-K324 HydrophobicContact CG2-CG 4.42Å; I320-K324 WeakPolarHBondContact O-CG 3.35Å; I320-K324 PolarHBondContact O-N 3.22Å; K324-I327 PolarHBondContact O-N 3.08Å; K324-K328 VanDerWaalsContact O-CB 3.29Å; K324-K328 WeakPolarHBondContact O-CB 3.4Å; K324-K328 PolarHBondContact O-N 2.87Å
325	A	98.2	Very high	97.8	Very high	62 Å²	62	45.7 Å²	45.7	51%	0.512	24%	0.24	S	C	.	.	H	α-helix	trans	-62.6	-45.1	177.3	0	0	0	0	0	111.8	P321 E322 L323 K329	P321-A325 PolarHBondContact O-N 3.02Å; P321-A325 VanDerWaalsContact O-N 3.07Å; E322-A325 PolarHBondContact O-N 3.13Å; L323-A325 VanDerWaalsContact C-N 3.31Å; L323-A325 PolarHBondContact O-N 3.21Å; A325-K329 VanDerWaalsContact O-CB 3.32Å; A325-K329 WeakPolarHBondContact O-CB 3.36Å; A325-K329 PolarHBondContact O-N 3Å
326	S	97.9	Very high	97.6	Very high	24 Å²	24	49.7 Å²	49.7	17%	0.168	27%	0.266	C	S	.	.	H	α-helix	trans	-64.4	-41.8	178.2	-59	0	0	0	0	112.3	S146 E322 L323 K329 G330	S146-S326 WeakPolarHBondContact CB-O 3.4Å; S146-S326 PolarHBondContact OG-O 3.33Å; E322-S326 WeakPolarHBondContact O-CB 3.46Å; E322-S326 PolarHBondContact O-N 3.37Å; E322-S326 PolarHBondContact O-OG 3.22Å; L323-S326 PolarHBondContact O-N 2.79Å; S326-K329 PolarHBondContact O-N 2.78Å; S326-G330 PolarHBondContact O-N 3.43Å
327	I	98.6	Very high	97.1	Very high	5 Å²	5	52.1 Å²	52.1	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-54.5	177.8	-72.1	163.6	0	0	0	110.1	P149 F277 C285 T286 Y287 L323 K324 K329 G330 E331	P149-I327 HydrophobicContact CB-CG2 4.49Å; P149-I327 HydrophobicContact CG-CB 4.25Å; P149-I327 HydrophobicContact CG-CG1 4.13Å; P149-I327 HydrophobicContact CG-CG2 4.13Å; F277-I327 HydrophobicContact CZ-CD1 4.37Å; F277-I327 HydrophobicContact CZ-CG1 4.27Å; C285-I327 HydrophobicContact CB-CD1 4.04Å; T286-I327 WeakPolarHBondContact OG1-CG2 3.41Å; Y287-I327 HydrophobicContact CD2-CD1 4.23Å; Y287-I327 HydrophobicContact CD2-CG1 4.11Å; Y287-I327 HydrophobicContact CD2-CG2 3.7Å; Y287-I327 HydrophobicContact CE2-CG2 4.06Å; Y287-I327 WeakPolarHBondContact O-CD1 3.44Å; L323-I327 HydrophobicContact CB-CD1 4.49Å; L323-I327 WeakPolarHBondContact O-CB 3.48Å; L323-I327 WeakPolarHBondContact O-CD1 3.46Å; L323-I327 WeakPolarHBondContact O-CG1 3.38Å; L323-I327 PolarHBondContact O-N 3.03Å; K324-I327 PolarHBondContact O-N 3.08Å; I327-K329 PolarHBondContact O-N 3.01Å; I327-G330 PolarHBondContact O-N 3.1Å; I327-E331 HydrophobicContact CG2-CG 4.36Å; I327-E331 PolarHBondContact O-N 3.33Å
328	K	98.2	Very high	95.5	Very high	118 Å²	118	61.6 Å²	61.6	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-57	-40.6	-179.9	-174.9	179.2	-172.1	-60.5	0	111.4	K324 G330 E331 D332	K324-K328 VanDerWaalsContact O-CB 3.29Å; K324-K328 WeakPolarHBondContact O-CB 3.4Å; K324-K328 PolarHBondContact O-N 2.87Å; K328-G330 VanDerWaalsContact C-N 3.32Å; K328-G330 PolarHBondContact O-N 2.88Å; K328-E331 PolarHBondContact O-N 2.98Å; K328-D332 WeakPolarHBondContact CG-OD2 3.09Å; K328-D332 IonicContact NZ-OD2 2.84Å; K328-D332 PolarHBondContact NZ-OD2 3.08Å; K328-D332 WeakPolarHBondContact O-CB 3.4Å; K328-D332 VanDerWaalsContact O-CG 3.27Å; K328-D332 PolarHBondContact O-N 3.02Å
329	K	97.5	Very high	95.4	Very high	75 Å²	75	60.7 Å²	60.7	33%	0.326	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-41.4	176.4	-170.1	-180	-174	-179.3	0	112.4	D111 F114 A325 S326 I327 F333	D111-K329 IonicContact OD1-NZ 3.6Å; D111-K329 PolarHBondContact OD1-NZ 2.81Å; F114-K329 HydrophobicContact CD1-CD 4.22Å; F114-K329 VanDerWaalsContact CD1-CE 3.41Å; F114-K329 HydrophobicContact CD1-CG 4.44Å; F114-K329 HydrophobicContact CD2-CD 4.35Å; F114-K329 HydrophobicContact CE1-CD 4.17Å; F114-K329 HydrophobicContact CE1-CG 3.89Å; F114-K329 HydrophobicContact CE2-CD 4.33Å; F114-K329 HydrophobicContact CE2-CG 4.18Å; F114-K329 HydrophobicContact CG-CD 4.31Å; F114-K329 HydrophobicContact CZ-CD 4.23Å; F114-K329 HydrophobicContact CZ-CG 3.75Å; A325-K329 VanDerWaalsContact O-CB 3.32Å; A325-K329 WeakPolarHBondContact O-CB 3.36Å; A325-K329 PolarHBondContact O-N 3Å; S326-K329 PolarHBondContact O-N 2.78Å; I327-K329 PolarHBondContact O-N 3.01Å; K329-F333 PolarHBondContact O-N 2.68Å; K329-F333 VanDerWaalsContact O-N 3.14Å
330	G	98	Very high	95.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.6	-45.2	175.2	0	0	0	0	0	112.9	I150 S326 I327 K328 F333 V334	I150-G330 VanDerWaalsContact CG1-O 3.25Å; I150-G330 WeakPolarHBondContact CG1-O 3.44Å; S326-G330 PolarHBondContact O-N 3.43Å; I327-G330 PolarHBondContact O-N 3.1Å; K328-G330 VanDerWaalsContact C-N 3.32Å; K328-G330 PolarHBondContact O-N 2.88Å; G330-F333 PolarHBondContact O-N 2.98Å; G330-V334 PolarHBondContact O-N 3.38Å
331	E	98.1	Very high	95	Very high	39 Å²	39	66.3 Å²	66.3	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-45.2	177.5	-66.5	174.6	167	0	0	111.9	P149 E153 I327 K328 F333 V334 K335	P149-E331 HydrophobicContact CB-CG 3.96Å; E153-E331 HydrophobicContact CG-CB 4.39Å; E153-E331 HydrophobicContact CG-CG 4.24Å; I327-E331 HydrophobicContact CG2-CG 4.36Å; I327-E331 PolarHBondContact O-N 3.33Å; K328-E331 PolarHBondContact O-N 2.98Å; E331-F333 PolarHBondContact O-N 3.1Å; E331-V334 PolarHBondContact O-N 3.3Å; E331-K335 PolarHBondContact O-N 2.9Å
332	D	97.7	Very high	94.8	Very high	50 Å²	50	65.5 Å²	65.5	27%	0.267	32%	0.322	S	S	.	.	H	α-helix	trans	-67.2	-35.7	-179.4	-72.1	-16.5	0	0	0	112.2	K328 V334 K335 T336	K328-D332 WeakPolarHBondContact CG-OD2 3.09Å; K328-D332 IonicContact NZ-OD2 2.84Å; K328-D332 PolarHBondContact NZ-OD2 3.08Å; K328-D332 WeakPolarHBondContact O-CB 3.4Å; K328-D332 VanDerWaalsContact O-CG 3.27Å; K328-D332 PolarHBondContact O-N 3.02Å; D332-V334 VanDerWaalsContact C-N 3.31Å; D332-V334 PolarHBondContact O-N 2.95Å; D332-K335 WeakPolarHBondContact O-CB 3.36Å; D332-K335 PolarHBondContact O-N 3.06Å; D332-K335 VanDerWaalsContact O-N 3.13Å; D332-K335 IonicContact OD1-NZ 2.67Å; D332-K335 PolarHBondContact OD1-NZ 2.98Å; D332-T336 WeakPolarHBondContact O-CG2 3.28Å; D332-T336 PolarHBondContact O-N 3.02Å
333	F	97.1	Very high	94.7	Very high	25 Å²	25	65.8 Å²	65.8	11%	0.11	32%	0.324	C	S	.	.	H	α-helix	trans	-54.6	-47.3	173.4	175.3	-95.6	0	0	0	111.5	F114 A118 A122 I150 K329 G330 E331 K335 T336 L337	F114-F333 HydrophobicContact CE1-CB 4.39Å; F114-F333 HydrophobicContact CE1-CD2 4.32Å; F114-F333 HydrophobicContact CZ-CB 4.01Å; F114-F333 HydrophobicContact CZ-CG 4.38Å; A118-F333 HydrophobicContact CB-CD1 3.84Å; A118-F333 HydrophobicContact CB-CD2 4.02Å; A118-F333 HydrophobicContact CB-CE1 3.64Å; A118-F333 HydrophobicContact CB-CE2 3.84Å; A118-F333 HydrophobicContact CB-CG 4.02Å; A118-F333 HydrophobicContact CB-CZ 3.65Å; A122-F333 HydrophobicContact CB-CE1 4.15Å; I150-F333 HydrophobicContact CD1-CD1 3.93Å; I150-F333 HydrophobicContact CD1-CG 4.43Å; I150-F333 HydrophobicContact CG1-CD1 4.11Å; K329-F333 PolarHBondContact O-N 2.68Å; K329-F333 VanDerWaalsContact O-N 3.14Å; G330-F333 PolarHBondContact O-N 2.98Å; E331-F333 PolarHBondContact O-N 3.1Å; F333-K335 VanDerWaalsContact C-N 3.28Å; F333-K335 PolarHBondContact O-N 3.23Å; F333-T336 WeakPolarHBondContact O-CB 3.47Å; F333-T336 PolarHBondContact O-N 3.24Å; F333-T336 PolarHBondContact O-OG1 3.18Å; F333-L337 HydrophobicContact CD1-CD1 4.33Å; F333-L337 HydrophobicContact CE1-CD1 3.87Å; F333-L337 HydrophobicContact CE1-CD2 4.08Å; F333-L337 HydrophobicContact CE1-CG 4.18Å; F333-L337 HydrophobicContact CZ-CD2 4.03Å; F333-L337 PolarHBondContact O-N 3.09Å
334	V	96	Very high	94.4	Very high	2 Å²	2	70.1 Å²	70.1	1%	0.012	35%	0.346	C	S	.	.	H	α-helix	trans	-67	-30.5	-179.5	-179.9	0	0	0	0	112.2	I150 E153 V154 K157 G330 E331 D332 T336 L337	I150-V334 HydrophobicContact CB-CG2 4.01Å; I150-V334 HydrophobicContact CG1-CG2 4.02Å; I150-V334 HydrophobicContact CG2-CG2 3.77Å; E153-V334 HydrophobicContact CB-CB 3.76Å; E153-V334 HydrophobicContact CB-CG1 3.66Å; E153-V334 HydrophobicContact CB-CG2 3.95Å; V154-V334 HydrophobicContact CG2-CG1 4.16Å; V154-V334 HydrophobicContact CG2-CG2 4.13Å; K157-V334 HydrophobicContact CD-CG1 3.96Å; K157-V334 PolarHBondContact NZ-O 2.95Å; G330-V334 PolarHBondContact O-N 3.38Å; E331-V334 PolarHBondContact O-N 3.3Å; D332-V334 VanDerWaalsContact C-N 3.31Å; D332-V334 PolarHBondContact O-N 2.95Å; V334-T336 PolarHBondContact O-N 3.34Å; V334-L337 WeakPolarHBondContact O-CB 3.47Å; V334-L337 PolarHBondContact O-N 3.25Å; V334-L337 VanDerWaalsContact O-N 3.16Å
335	K	93.6	Very high	94.1	Very high	134 Å²	134	69.1 Å²	69.1	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-65.1	-24.7	173.2	-62.9	172.1	-163.3	157.3	0	112.7	E331 D332 F333	E331-K335 PolarHBondContact O-N 2.9Å; D332-K335 WeakPolarHBondContact O-CB 3.36Å; D332-K335 PolarHBondContact O-N 3.06Å; D332-K335 VanDerWaalsContact O-N 3.13Å; D332-K335 IonicContact OD1-NZ 2.67Å; D332-K335 PolarHBondContact OD1-NZ 2.98Å; F333-K335 VanDerWaalsContact C-N 3.28Å; F333-K335 PolarHBondContact O-N 3.23Å
336	T	93.5	Very high	93.8	Very high	102 Å²	102	69.6 Å²	69.6	63%	0.626	33%	0.331	S	S	*	.	H	α-helix	trans	-80.8	-19.2	174.5	72.2	0	0	0	0	113.7	D332 F333 V334 K338	D332-T336 WeakPolarHBondContact O-CG2 3.28Å; D332-T336 PolarHBondContact O-N 3.02Å; F333-T336 WeakPolarHBondContact O-CB 3.47Å; F333-T336 PolarHBondContact O-N 3.24Å; F333-T336 PolarHBondContact O-OG1 3.18Å; V334-T336 PolarHBondContact O-N 3.34Å; T336-K338 PolarHBondContact O-N 3.15Å
337	L	88.4	Confident	93.5	Very high	59 Å²	59	73.4 Å²	73.4	31%	0.309	35%	0.345	S	S	.	.			trans	-72.4	117.1	175.2	-57.8	179.2	0	0	0	109	A122 K157 F333 V334	A122-L337 HydrophobicContact CB-CD1 3.71Å; K157-L337 PolarHBondContact NZ-O 3.46Å; F333-L337 HydrophobicContact CD1-CD1 4.33Å; F333-L337 HydrophobicContact CE1-CD1 3.87Å; F333-L337 HydrophobicContact CE1-CD2 4.08Å; F333-L337 HydrophobicContact CE1-CG 4.18Å; F333-L337 HydrophobicContact CZ-CD2 4.03Å; F333-L337 PolarHBondContact O-N 3.09Å; V334-L337 WeakPolarHBondContact O-CB 3.47Å; V334-L337 PolarHBondContact O-N 3.25Å; V334-L337 VanDerWaalsContact O-N 3.16Å
338	K	65.2	Low	93	Very high	272 Å²	272	79.6 Å²	79.6	100%	1.183	37%	0.374	S	S	*	.			trans	-66	0	173.6	-67.9	-175.4	179.6	-179.8	0	111.6	T336	T336-K338 PolarHBondContact O-N 3.15Å

Retrieved 338 of 338 residues in 194.9 ms (Link to these results)

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