A0A077Z8Q8_TRITR Loading...

Methylglutaconyl coenzyme A hydratase

AlphaFold DB , UniProt , Accession A0A077Z8Q8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 286 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.9	Very low	31.7	Very low	237 Å²	237	163.5 Å²	163.5	100%	1.167	86%	0.858	S	S	*	*				0	92.8	0	-87	175.7	166.9	0	0	108.6
2	L	26.8	Very low	31.9	Very low	170 Å²	170	170 Å²	170	89%	0.89	86%	0.862	S	S	*	*			trans	170.6	115.6	165.9	-97.9	148.8	0	0	0	107.9
3	T	32.1	Very low	32.2	Very low	126 Å²	126	164.5 Å²	164.5	77%	0.773	83%	0.825	S	S	*	*			trans	-177.3	86	137.9	21.2	0	0	0	0	107.6	R5	T3-R5 PolarHBondContact O-N 3.34Å; T3-R5 VanDerWaalsContact O-N 3.08Å
4	A	34.5	Very low	32.5	Very low	110 Å²	110	166.7 Å²	166.7	91%	0.909	83%	0.827	S	S	*	*			trans	-68	100.8	163.3	0	0	0	0	0	107.6
5	R	31.2	Very low	32.9	Very low	220 Å²	220	163.5 Å²	163.5	83%	0.83	81%	0.813	S	S	*	*			trans	-111.7	122.8	171.2	-91.9	-174.7	174.3	-177.4	-0.5	109.1	T3	T3-R5 PolarHBondContact O-N 3.34Å; T3-R5 VanDerWaalsContact O-N 3.08Å
6	T	31.1	Very low	33	Very low	118 Å²	118	166.8 Å²	166.8	72%	0.724	81%	0.813	S	S	*	*			trans	82.9	91.6	148.3	-31	0	0	0	0	117.7
7	I	35.1	Very low	33.4	Very low	182 Å²	182	167.1 Å²	167.1	93%	0.933	81%	0.809	S	S	*	*			trans	-129.6	94.4	136.4	-57.2	178.8	0	0	0	106.9
8	K	29.5	Very low	33.9	Very low	177 Å²	177	162.8 Å²	162.8	77%	0.77	81%	0.805	S	S	*	*			trans	-130.9	131.7	172	-120.6	-173.9	-169.9	-175.1	0	105
9	H	30.8	Very low	34.7	Very low	169 Å²	169	160.1 Å²	160.1	78%	0.782	80%	0.804	S	S	*	*			trans	99.4	89.2	172.8	-59.2	-139.3	0	0	0	115.4
10	F	33.3	Very low	35.9	Very low	190 Å²	190	153.9 Å²	153.9	83%	0.833	78%	0.777	S	S	*	*				-175.4	76.8	128.1	-112.1	-83.6	0	0	0	108.8
11	A	34.8	Very low	37.7	Very low	100 Å²	100	156.1 Å²	156.1	83%	0.826	78%	0.784	S	S	*	*			trans	-149.1	63	173.7	0	0	0	0	0	110
12	R	33.6	Very low	40.4	Very low	241 Å²	241	146.9 Å²	146.9	91%	0.909	75%	0.746	S	S	*	*			trans	-146.5	66.7	165.8	-82.5	-167.1	169.3	177.7	-4.6	109.4
13	W	35.8	Very low	43.7	Very low	99 Å²	99	141.4 Å²	141.4	38%	0.375	72%	0.717	S	S	.	*			trans	-153.2	72.3	162.1	-131.9	57.6	0	0	0	110.2	A28 F29 V30	W13-A28 VanDerWaalsContact CH2-CA 3.48Å; W13-A28 HydrophobicContact CH2-CB 3.1Å; W13-A28 HydrophobicContact CZ2-CB 3.24Å; W13-A28 HydrophobicContact CZ3-CB 4.02Å; W13-A28 WeakPolarHBondContact CZ3-O 3.46Å; W13-F29 VanDerWaalsContact CE3-CA 3.4Å; W13-F29 WeakPolarHBondContact CZ3-O 3.37Å; W13-V30 HydrophobicContact CE3-CG2 4.05Å; W13-V30 HydrophobicContact CZ3-CG2 4.49Å
14	F	36.7	Very low	46.7	Very low	195 Å²	195	135.8 Å²	135.8	86%	0.855	68%	0.682	S	S	*	*			trans	-137.4	75.3	158.5	-84.4	-76.9	0	0	0	106.3
15	I	38	Very low	49.5	Very low	119 Å²	119	132.3 Å²	132.3	61%	0.61	65%	0.648	S	S	*	*			trans	-97.8	83.5	156.6	-55.7	168.6	0	0	0	105.2	F17	I15-F17 VanDerWaalsContact C-N 3.3Å; I15-F17 HydrophobicContact CB-CE2 4.31Å; I15-F17 HydrophobicContact CG2-CD1 4.16Å; I15-F17 HydrophobicContact CG2-CD2 3.45Å; I15-F17 VanDerWaalsContact CG2-CD2 3.45Å; I15-F17 HydrophobicContact CG2-CE1 4.01Å; I15-F17 HydrophobicContact CG2-CE2 3.28Å; I15-F17 HydrophobicContact CG2-CG 3.9Å; I15-F17 HydrophobicContact CG2-CZ 3.57Å; I15-F17 PolarHBondContact O-N 3.17Å; I15-F17 VanDerWaalsContact O-N 3.16Å
16	R	35.3	Very low	52.5	Low	216 Å²	216	124.4 Å²	124.4	82%	0.815	62%	0.624	S	S	*	*			trans	-72.5	96.1	155.9	-96.5	-176.5	165.7	-175.5	-3.5	105.4	A18	R16-A18 PolarHBondContact O-N 3.39Å
17	F	39.3	Very low	55.6	Low	171 Å²	171	121.9 Å²	121.9	75%	0.75	60%	0.604	S	S	*	*			trans	-61.3	133.8	161.6	-76.1	-76	0	0	0	107.4	I15	I15-F17 VanDerWaalsContact C-N 3.3Å; I15-F17 HydrophobicContact CB-CE2 4.31Å; I15-F17 HydrophobicContact CG2-CD1 4.16Å; I15-F17 HydrophobicContact CG2-CD2 3.45Å; I15-F17 VanDerWaalsContact CG2-CD2 3.45Å; I15-F17 HydrophobicContact CG2-CE1 4.01Å; I15-F17 HydrophobicContact CG2-CE2 3.28Å; I15-F17 HydrophobicContact CG2-CG 3.9Å; I15-F17 HydrophobicContact CG2-CZ 3.57Å; I15-F17 PolarHBondContact O-N 3.17Å; I15-F17 VanDerWaalsContact O-N 3.16Å
18	A	41.5	Very low	58.6	Low	90 Å²	90	114.8 Å²	114.8	74%	0.744	57%	0.573	S	S	*	*			trans	-49.4	142.4	167.4	0	0	0	0	0	108.8	R16 S20	R16-A18 PolarHBondContact O-N 3.39Å; A18-S20 PolarHBondContact O-N 3.36Å
19	S	49.5	Very low	61.8	Low	111 Å²	111	108.3 Å²	108.3	78%	0.776	55%	0.545	S	S	*	.			trans	-41.6	105.4	-175.4	55.1	0	0	0	0	111
20	S	58.3	Low	64.9	Low	37 Å²	37	104 Å²	104	26%	0.259	53%	0.53	S	S	.	.			trans	-65.1	140.6	178.6	80	0	0	0	0	108.6	A18 A22 D25 R42	A18-S20 PolarHBondContact O-N 3.36Å; S20-A22 PolarHBondContact O-N 2.9Å; S20-D25 WeakPolarHBondContact CB-OD2 3.39Å; S20-D25 PolarHBondContact OG-OD2 3.09Å; S20-R42 PolarHBondContact O-NH1 3.25Å; S20-R42 PolarHBondContact OG-NH1 3.36Å
21	Q	73.7	Confident	67.8	Low	201 Å²	201	96.5 Å²	96.5	94%	0.939	50%	0.498	S	S	*	.			trans	-75.4	6.4	171	-71.1	-178.6	-7	0	0	112.1
22	A	88.3	Confident	70.5	Confident	43 Å²	43	97.4 Å²	97.4	36%	0.355	49%	0.489	S	S	.	.			trans	-67.7	139.6	-178.5	0	0	0	0	0	110.7	S20 F24	S20-A22 PolarHBondContact O-N 2.9Å; A22-F24 WeakPolarHBondContact CB-O 3.43Å; A22-F24 PolarHBondContact O-N 3.35Å
23	N	94.2	Very high	73.2	Confident	55 Å²	55	89 Å²	89	29%	0.294	48%	0.478	S	S	.	.	S	Bend	trans	-60.7	-31.5	176.3	-73.2	-37.7	0	0	0	112.5	R42 K43 E53	N23-R42 CarbonylContact O-C 3.55Å; N23-R42 WeakPolarHBondContact O-CA 3.42Å; N23-R42 WeakPolarHBondContact O-CB 3.39Å; N23-R42 PolarHBondContact O-N 3.12Å; N23-K43 HydrophobicContact CB-CB 3.9Å; N23-K43 HydrophobicContact CB-CD 4.03Å; N23-K43 HydrophobicContact CB-CG 3.98Å; N23-K43 PolarHBondContact O-N 3.25Å; N23-E53 WeakPolarHBondContact CB-OE1 3.44Å; N23-E53 PolarHBondContact ND2-OE1 2.74Å; N23-E53 PolarHBondContact ND2-OE2 3.34Å
24	F	95.7	Very high	75.9	Confident	7 Å²	7	84.8 Å²	84.8	3%	0.031	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.8	176.3	-50.9	-73.7	0	0	0	107.9	A22 F39 H40 M41 K43 E53 L54 Q57	A22-F24 WeakPolarHBondContact CB-O 3.43Å; A22-F24 PolarHBondContact O-N 3.35Å; F24-F39 HydrophobicContact CB-CE2 4.27Å; F24-F39 HydrophobicContact CB-CZ 3.97Å; F24-F39 HydrophobicContact CD1-CZ 4.27Å; F24-F39 HydrophobicContact CG-CZ 4.35Å; F24-H40 VanDerWaalsContact CA-O 3.28Å; F24-H40 WeakPolarHBondContact CA-O 3.48Å; F24-M41 HydrophobicContact CD1-CB 4.11Å; F24-M41 HydrophobicContact CD1-CG 4.04Å; F24-M41 HydrophobicContact CE1-CB 4.18Å; F24-M41 HydrophobicContact CE1-CG 4.26Å; F24-K43 HydrophobicContact CE1-CB 4.17Å; F24-K43 HydrophobicContact CE2-CB 4.43Å; F24-K43 HydrophobicContact CE2-CD 3.86Å; F24-K43 HydrophobicContact CZ-CB 3.8Å; F24-K43 HydrophobicContact CZ-CD 3.75Å; F24-K43 HydrophobicContact CZ-CG 4.43Å; F24-E53 HydrophobicContact CD2-CG 4Å; F24-E53 HydrophobicContact CE2-CB 4.3Å; F24-E53 HydrophobicContact CE2-CG 4.03Å; F24-L54 HydrophobicContact CD1-CD1 4.27Å; F24-L54 HydrophobicContact CD1-CG 4.13Å; F24-L54 HydrophobicContact CD2-CB 4.31Å; F24-L54 HydrophobicContact CE1-CB 3.99Å; F24-L54 HydrophobicContact CE1-CD1 3.48Å; F24-L54 VanDerWaalsContact CE1-CD1 3.48Å; F24-L54 HydrophobicContact CE1-CG 3.73Å; F24-L54 HydrophobicContact CE2-CB 3.74Å; F24-L54 HydrophobicContact CE2-CG 4.38Å; F24-L54 HydrophobicContact CZ-CB 3.57Å; F24-L54 HydrophobicContact CZ-CD1 3.72Å; F24-L54 HydrophobicContact CZ-CG 3.86Å; F24-Q57 HydrophobicContact CB-CB 3.95Å; F24-Q57 HydrophobicContact CB-CG 4.07Å; F24-Q57 HydrophobicContact CD2-CG 4.4Å
25	D	93.3	Very high	78.8	Confident	38 Å²	38	76.1 Å²	76.1	20%	0.203	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161	-172.2	-165.4	12.6	0	0	0	110.7	S20 H40 R42	S20-D25 WeakPolarHBondContact CB-OD2 3.39Å; S20-D25 PolarHBondContact OG-OD2 3.09Å; D25-H40 HydrophobicContact CB-CB 4.23Å; D25-H40 PolarHBondContact N-O 2.83Å; D25-H40 PolarHBondContact O-N 3.44Å; D25-R42 IonicContact OD2-CZ 3.92Å; D25-R42 IonicContact OD2-NH1 3.13Å; D25-R42 PolarHBondContact OD2-NH1 3.2Å; D25-R42 IonicContact OD2-NH2 2.98Å; D25-R42 PolarHBondContact OD2-NH2 3.32Å
26	T	95.2	Very high	81.6	Confident	53 Å²	53	70.5 Å²	70.5	33%	0.325	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	125.5	-178.5	64	0	0	0	0	109.5	V38 F39 F61	T26-V38 CarbonylContact C-O 3.54Å; T26-V38 WeakPolarHBondContact CA-O 3.18Å; T26-F39 HydrophobicContact CG2-CD2 4.25Å; T26-F61 HydrophobicContact CG2-CB 4Å; T26-F61 HydrophobicContact CG2-CD2 3.49Å; T26-F61 VanDerWaalsContact CG2-CD2 3.49Å; T26-F61 HydrophobicContact CG2-CE2 4.37Å; T26-F61 HydrophobicContact CG2-CG 4.15Å
27	E	96	Very high	84.6	Confident	65 Å²	65	62 Å²	62	30%	0.304	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	142.4	173.4	-168.5	-176.7	-167.5	0	0	109.7	F29 R37 V38 H40	E27-F29 HydrophobicContact CG-CD1 3.9Å; E27-R37 CarbonylContact O-C 3.49Å; E27-R37 WeakPolarHBondContact O-CA 3.48Å; E27-V38 HydrophobicContact CB-CB 4.41Å; E27-V38 PolarHBondContact N-O 3.2Å; E27-V38 PolarHBondContact O-N 3.45Å; E27-H40 WeakPolarHBondContact CB-NE2 3.35Å; E27-H40 IonicContact OE2-CE1 3.05Å; E27-H40 IonicContact OE2-NE2 3.72Å; E27-H40 PolarHBondContact OE2-NE2 2.66Å
28	A	97	Very high	87.4	Confident	34 Å²	34	53.8 Å²	53.8	28%	0.281	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	113.2	177.9	0	0	0	0	0	107.6	W13 L36 R37	W13-A28 VanDerWaalsContact CH2-CA 3.48Å; W13-A28 HydrophobicContact CH2-CB 3.1Å; W13-A28 HydrophobicContact CZ2-CB 3.24Å; W13-A28 HydrophobicContact CZ3-CB 4.02Å; W13-A28 WeakPolarHBondContact CZ3-O 3.46Å; A28-L36 WeakPolarHBondContact CA-O 3.42Å; A28-R37 HydrophobicContact CB-CG 4.32Å
29	F	96.9	Very high	90.2	Very high	40 Å²	40	49.5 Å²	49.5	18%	0.175	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	165.1	-176.6	69.4	-83.4	0	0	0	113.1	W13 E27 H31 L36 V38 L219	W13-F29 VanDerWaalsContact CE3-CA 3.4Å; W13-F29 WeakPolarHBondContact CZ3-O 3.37Å; E27-F29 HydrophobicContact CG-CD1 3.9Å; F29-H31 HydrophobicContact CD2-CB 4.34Å; F29-H31 HydrophobicContact CE2-CB 3.78Å; F29-L36 HydrophobicContact CE1-CB 4.41Å; F29-L36 HydrophobicContact CE2-CD1 4.13Å; F29-L36 HydrophobicContact CZ-CB 4.42Å; F29-L36 HydrophobicContact CZ-CD1 3.93Å; F29-L36 PolarHBondContact N-O 2.91Å; F29-L36 VanDerWaalsContact N-O 3.13Å; F29-L36 PolarHBondContact O-N 2.7Å; F29-V38 HydrophobicContact CD1-CG2 4.44Å; F29-V38 HydrophobicContact CE1-CG2 3.55Å; F29-V38 HydrophobicContact CZ-CG2 4.29Å; F29-L219 HydrophobicContact CZ-CD2 4.48Å
30	V	96	Very high	92.5	Very high	78 Å²	78	44.6 Å²	44.6	47%	0.473	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.3	174.3	176.7	0	0	0	0	109.8	W13 S34 A35	W13-V30 HydrophobicContact CE3-CG2 4.05Å; W13-V30 HydrophobicContact CZ3-CG2 4.49Å; V30-S34 CarbonylContact C-O 3.56Å; V30-S34 WeakPolarHBondContact CA-O 3.33Å; V30-A35 HydrophobicContact CG2-CB 4.48Å
31	H	94.9	Very high	94.4	Very high	34 Å²	34	42.8 Å²	42.8	16%	0.157	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	111.6	172.7	-176.3	65.6	0	0	0	109.5	F29 G33 S34 L36 D223	F29-H31 HydrophobicContact CD2-CB 4.34Å; F29-H31 HydrophobicContact CE2-CB 3.78Å; H31-G33 PolarHBondContact O-N 3.02Å; H31-S34 PolarHBondContact N-O 3.46Å; H31-S34 WeakPolarHBondContact O-CB 3.19Å; H31-S34 PolarHBondContact O-N 2.94Å; H31-L36 HydrophobicContact CB-CD1 3.49Å; H31-L36 VanDerWaalsContact CB-CD1 3.49Å; H31-L36 HydrophobicContact CB-CG 4.04Å; H31-D223 IonicContact CD2-OD1 3.53Å; H31-D223 PolarHBondContact CD2-OD1 2.88Å; H31-D223 IonicContact CD2-OD2 2.85Å; H31-D223 IonicContact CE1-OD2 3.77Å; H31-D223 VanDerWaalsContact NE2-CG 3.3Å; H31-D223 IonicContact NE2-OD1 3.02Å; H31-D223 PolarHBondContact NE2-OD1 2.96Å; H31-D223 IonicContact NE2-OD2 3.99Å; H31-D223 PolarHBondContact NE2-OD2 2.89Å
32	N	91.9	Very high	95.5	Very high	118 Å²	118	36.3 Å²	36.3	63%	0.631	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	38.9	179.2	-65.5	-28.1	0	0	0	114.8	D223	N32-D223 VanDerWaalsContact CB-OD1 3.3Å; N32-D223 WeakPolarHBondContact CB-OD1 3.06Å; N32-D223 VanDerWaalsContact ND2-CG 3.29Å; N32-D223 PolarHBondContact ND2-OD1 2.99Å; N32-D223 PolarHBondContact ND2-OD2 3Å; N32-D223 VanDerWaalsContact ND2-OD2 3.16Å
33	G	90	Very high	95.9	Very high	66 Å²	66	35.5 Å²	35.5	68%	0.68	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.8	-8.4	-178.9	0	0	0	0	0	115.1	H31	H31-G33 PolarHBondContact O-N 3.02Å
34	S	93.1	Very high	96	Very high	9 Å²	9	40 Å²	40	6%	0.063	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	119.2	174	-66.1	0	0	0	0	110.9	V30 H31 L36 A226	V30-S34 CarbonylContact C-O 3.56Å; V30-S34 WeakPolarHBondContact CA-O 3.33Å; H31-S34 PolarHBondContact N-O 3.46Å; H31-S34 WeakPolarHBondContact O-CB 3.19Å; H31-S34 PolarHBondContact O-N 2.94Å; S34-L36 PolarHBondContact O-N 3.36Å; S34-A226 WeakPolarHBondContact OG-CB 3.32Å
35	A	95.8	Very high	96	Very high	14 Å²	14	50.6 Å²	50.6	12%	0.116	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	123.5	172.7	0	0	0	0	0	110.1	V30 K72	V30-A35 HydrophobicContact CG2-CB 4.48Å; A35-K72 PolarHBondContact O-N 3.45Å
36	L	97.8	Very high	96.1	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.9	-176.9	-56.7	-172.4	0	0	0	111.3	A28 F29 H31 S34 A73 L219 I222	A28-L36 WeakPolarHBondContact CA-O 3.42Å; F29-L36 HydrophobicContact CE1-CB 4.41Å; F29-L36 HydrophobicContact CE2-CD1 4.13Å; F29-L36 HydrophobicContact CZ-CB 4.42Å; F29-L36 HydrophobicContact CZ-CD1 3.93Å; F29-L36 PolarHBondContact N-O 2.91Å; F29-L36 VanDerWaalsContact N-O 3.13Å; F29-L36 PolarHBondContact O-N 2.7Å; H31-L36 HydrophobicContact CB-CD1 3.49Å; H31-L36 VanDerWaalsContact CB-CD1 3.49Å; H31-L36 HydrophobicContact CB-CG 4.04Å; S34-L36 PolarHBondContact O-N 3.36Å; L36-A73 HydrophobicContact CD2-CB 3.94Å; L36-L219 HydrophobicContact CD1-CD2 3.89Å; L36-I222 HydrophobicContact CD1-CD1 3.83Å; L36-I222 HydrophobicContact CD1-CG2 4.24Å; L36-I222 HydrophobicContact CD2-CD1 4.02Å; L36-I222 HydrophobicContact CD2-CG2 3.79Å
37	R	98.4	Very high	96.3	Very high	37 Å²	37	55.5 Å²	55.5	14%	0.14	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131	165.4	-74.9	-177.3	171.5	-100.7	-0.4	109.7	E27 A28 F61 E64 D68 A73 V74 V75	E27-R37 CarbonylContact O-C 3.49Å; E27-R37 WeakPolarHBondContact O-CA 3.48Å; A28-R37 HydrophobicContact CB-CG 4.32Å; R37-F61 HydrophobicContact CB-CE2 3.89Å; R37-F61 HydrophobicContact CB-CZ 4Å; R37-E64 IonicContact NH1-OE2 3.55Å; R37-E64 PolarHBondContact NH1-OE2 3.14Å; R37-D68 IonicContact CZ-OD2 3.27Å; R37-D68 IonicContact NE-OD2 2.66Å; R37-D68 PolarHBondContact NE-OD2 3.17Å; R37-D68 IonicContact NH2-OD2 3.35Å; R37-D68 PolarHBondContact NH2-OD2 3.4Å; R37-A73 PolarHBondContact N-O 3.15Å; R37-V74 HydrophobicContact CB-CG2 4.35Å; R37-V74 CarbonylContact O-C 3.6Å; R37-V74 VanDerWaalsContact O-CA 3.32Å; R37-V74 WeakPolarHBondContact O-CA 3.46Å; R37-V75 PolarHBondContact O-N 3.07Å
38	V	98.6	Very high	96.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.8	-176.8	-173	0	0	0	0	109.8	T26 E27 F29 H40 V75 K77	T26-V38 CarbonylContact C-O 3.54Å; T26-V38 WeakPolarHBondContact CA-O 3.18Å; E27-V38 HydrophobicContact CB-CB 4.41Å; E27-V38 PolarHBondContact N-O 3.2Å; E27-V38 PolarHBondContact O-N 3.45Å; F29-V38 HydrophobicContact CD1-CG2 4.44Å; F29-V38 HydrophobicContact CE1-CG2 3.55Å; F29-V38 HydrophobicContact CZ-CG2 4.29Å; V38-H40 WeakPolarHBondContact CG1-NE2 3.23Å; V38-V75 CarbonylContact C-O 3.6Å; V38-V75 VanDerWaalsContact CA-O 3.24Å; V38-V75 WeakPolarHBondContact CA-O 3.45Å; V38-V75 HydrophobicContact CG1-CB 4.33Å; V38-V75 HydrophobicContact CG2-CB 4.13Å; V38-K77 HydrophobicContact CG1-CD 3.72Å; V38-K77 HydrophobicContact CG1-CG 3.84Å
39	F	98.6	Very high	96.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118	170.8	-175.2	-105.3	0	0	0	109.3	F24 T26 M41 Q57 L58 F61 V75 L76 K77	F24-F39 HydrophobicContact CB-CE2 4.27Å; F24-F39 HydrophobicContact CB-CZ 3.97Å; F24-F39 HydrophobicContact CD1-CZ 4.27Å; F24-F39 HydrophobicContact CG-CZ 4.35Å; T26-F39 HydrophobicContact CG2-CD2 4.25Å; F39-M41 HydrophobicContact CD1-CG 3.99Å; F39-M41 HydrophobicContact CE1-CG 3.66Å; F39-M41 HydrophobicContact CE1-SD 4.36Å; F39-Q57 HydrophobicContact CE2-CB 4.11Å; F39-Q57 HydrophobicContact CZ-CB 4.35Å; F39-L58 HydrophobicContact CD1-CD1 4.12Å; F39-L58 HydrophobicContact CD2-CD1 4.44Å; F39-L58 HydrophobicContact CE1-CD1 4.14Å; F39-L58 HydrophobicContact CE2-CB 4.43Å; F39-L58 HydrophobicContact CE2-CD1 4.48Å; F39-L58 HydrophobicContact CG-CD1 4.26Å; F39-L58 HydrophobicContact CZ-CB 4.08Å; F39-L58 HydrophobicContact CZ-CD1 4.32Å; F39-F61 HydrophobicContact CB-CD1 3.87Å; F39-F61 HydrophobicContact CB-CD2 4.24Å; F39-F61 HydrophobicContact CB-CE1 3.69Å; F39-F61 HydrophobicContact CB-CE2 4.06Å; F39-F61 HydrophobicContact CB-CG 4.12Å; F39-F61 HydrophobicContact CB-CZ 3.78Å; F39-F61 HydrophobicContact CD2-CB 3.88Å; F39-F61 HydrophobicContact CD2-CD1 4.14Å; F39-F61 HydrophobicContact CD2-CD2 4.24Å; F39-F61 AromaticContact CD2-CG 3.82Å; F39-F61 HydrophobicContact CD2-CG 3.82Å; F39-F61 HydrophobicContact CE2-CB 4.34Å; F39-F61 HydrophobicContact CG-CD1 4.26Å; F39-F61 HydrophobicContact CG-CG 4.35Å; F39-V75 PolarHBondContact N-O 3.3Å; F39-L76 HydrophobicContact CB-CD1 4.31Å; F39-L76 HydrophobicContact CB-CG 4.16Å; F39-L76 HydrophobicContact CD1-CG 4.34Å; F39-K77 PolarHBondContact O-N 2.93Å
40	H	98.2	Very high	96.5	Very high	7 Å²	7	49.4 Å²	49.4	3%	0.032	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.6	-178	-67.9	-105.3	0	0	0	110.6	F24 D25 E27 V38 R42 D79	F24-H40 VanDerWaalsContact CA-O 3.28Å; F24-H40 WeakPolarHBondContact CA-O 3.48Å; D25-H40 HydrophobicContact CB-CB 4.23Å; D25-H40 PolarHBondContact N-O 2.83Å; D25-H40 PolarHBondContact O-N 3.44Å; E27-H40 WeakPolarHBondContact CB-NE2 3.35Å; E27-H40 IonicContact OE2-CE1 3.05Å; E27-H40 IonicContact OE2-NE2 3.72Å; E27-H40 PolarHBondContact OE2-NE2 2.66Å; V38-H40 WeakPolarHBondContact CG1-NE2 3.23Å; H40-R42 HydrophobicContact CB-CG 4.36Å; H40-R42 PolarHBondContact ND1-NH2 2.84Å; H40-D79 IonicContact CE1-OD2 3.48Å; H40-D79 IonicContact CG-OD2 3.92Å; H40-D79 IonicContact ND1-OD1 3.55Å; H40-D79 PolarHBondContact ND1-OD1 3.36Å; H40-D79 IonicContact ND1-OD2 3Å; H40-D79 PolarHBondContact ND1-OD2 3.27Å
41	M	98.5	Very high	96.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.3	169.5	-55.6	-177.5	-69.2	0	0	111	F24 F39 N48 L54 K77 S78 D79 F84 L137	F24-M41 HydrophobicContact CD1-CB 4.11Å; F24-M41 HydrophobicContact CD1-CG 4.04Å; F24-M41 HydrophobicContact CE1-CB 4.18Å; F24-M41 HydrophobicContact CE1-CG 4.26Å; F39-M41 HydrophobicContact CD1-CG 3.99Å; F39-M41 HydrophobicContact CE1-CG 3.66Å; F39-M41 HydrophobicContact CE1-SD 4.36Å; M41-N48 VanDerWaalsContact C-OD1 3.32Å; M41-N48 HydrophobicContact CB-CB 4.02Å; M41-N48 HydrophobicContact SD-CB 4.32Å; M41-L54 HydrophobicContact SD-CD1 4.18Å; M41-K77 PolarHBondContact N-O 3.47Å; M41-S78 WeakPolarHBondContact O-CA 3.36Å; M41-S78 PolarHBondContact O-OG 3.21Å; M41-D79 PolarHBondContact O-N 2.82Å; M41-F84 HydrophobicContact CE-CD1 4.27Å; M41-F84 HydrophobicContact CE-CD2 3.65Å; M41-F84 HydrophobicContact CE-CE1 3.99Å; M41-F84 HydrophobicContact CE-CE2 3.31Å; M41-F84 HydrophobicContact CE-CG 4.11Å; M41-F84 HydrophobicContact CE-CZ 3.5Å; M41-F84 VanDerWaalsContact CE-CZ 3.5Å; M41-F84 WeakPolarHBondContact CE-O 3.4Å; M41-L137 HydrophobicContact CE-CD2 4.42Å; M41-L137 HydrophobicContact SD-CD2 4.02Å
42	R	97.2	Very high	96.6	Very high	64 Å²	64	49.3 Å²	49.3	24%	0.242	24%	0.236	C	C	.	.			trans	-126.6	6.9	-171.5	-48.7	-166.3	172.9	135	11.2	114.4	S20 N23 D25 H40 E44 N48 D79	S20-R42 PolarHBondContact O-NH1 3.25Å; S20-R42 PolarHBondContact OG-NH1 3.36Å; N23-R42 CarbonylContact O-C 3.55Å; N23-R42 WeakPolarHBondContact O-CA 3.42Å; N23-R42 WeakPolarHBondContact O-CB 3.39Å; N23-R42 PolarHBondContact O-N 3.12Å; D25-R42 IonicContact OD2-CZ 3.92Å; D25-R42 IonicContact OD2-NH1 3.13Å; D25-R42 PolarHBondContact OD2-NH1 3.2Å; D25-R42 IonicContact OD2-NH2 2.98Å; D25-R42 PolarHBondContact OD2-NH2 3.32Å; H40-R42 HydrophobicContact CB-CG 4.36Å; H40-R42 PolarHBondContact ND1-NH2 2.84Å; R42-E44 VanDerWaalsContact C-N 3.29Å; R42-E44 PolarHBondContact O-N 3.42Å; R42-N48 PolarHBondContact N-OD1 3.28Å; R42-D79 HydrophobicContact CG-CB 4.03Å; R42-D79 IonicContact CZ-OD2 2.62Å; R42-D79 IonicContact NE-OD2 2.66Å; R42-D79 PolarHBondContact NE-OD2 2.83Å; R42-D79 IonicContact NH2-OD2 3.04Å; R42-D79 PolarHBondContact NH2-OD2 3.36Å
43	K	96.6	Very high	96.9	Very high	27 Å²	27	46.9 Å²	46.9	12%	0.117	22%	0.221	C	C	.	.			trans	-77.1	74	-174.9	-160.6	169.3	179.4	170.2	0	111.8	N23 F24 R45 T46 R47 N48 C51 E53	N23-K43 HydrophobicContact CB-CB 3.9Å; N23-K43 HydrophobicContact CB-CD 4.03Å; N23-K43 HydrophobicContact CB-CG 3.98Å; N23-K43 PolarHBondContact O-N 3.25Å; F24-K43 HydrophobicContact CE1-CB 4.17Å; F24-K43 HydrophobicContact CE2-CB 4.43Å; F24-K43 HydrophobicContact CE2-CD 3.86Å; F24-K43 HydrophobicContact CZ-CB 3.8Å; F24-K43 HydrophobicContact CZ-CD 3.75Å; F24-K43 HydrophobicContact CZ-CG 4.43Å; K43-R45 PolarHBondContact O-N 2.9Å; K43-T46 WeakPolarHBondContact CD-OG1 3.36Å; K43-T46 WeakPolarHBondContact CG-OG1 3.3Å; K43-T46 PolarHBondContact O-N 3.07Å; K43-R47 PolarHBondContact O-N 3.43Å; K43-N48 PolarHBondContact N-OD1 3.03Å; K43-N48 PolarHBondContact O-N 3.05Å; K43-C51 PolarHBondContact NZ-SG 2.9Å; K43-C51 VanDerWaalsContact NZ-SG 3.42Å; K43-E53 IonicContact NZ-OE2 3.28Å; K43-E53 PolarHBondContact NZ-OE2 2.9Å
44	E	95.5	Very high	97.3	Very high	150 Å²	150	43.7 Å²	43.7	70%	0.701	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-56.9	-45.6	-175.1	-176.4	173.7	-172.5	0	0	112.9	R42 T46 R47 V80	R42-E44 VanDerWaalsContact C-N 3.29Å; R42-E44 PolarHBondContact O-N 3.42Å; E44-T46 PolarHBondContact O-N 2.85Å; E44-T46 VanDerWaalsContact O-N 3.1Å; E44-R47 PolarHBondContact O-N 3.48Å; E44-V80 HydrophobicContact CB-CG1 4.35Å; E44-V80 HydrophobicContact CB-CG2 4.33Å; E44-V80 HydrophobicContact CG-CG1 4.22Å
45	R	96.2	Very high	97.5	Very high	228 Å²	228	43.5 Å²	43.5	86%	0.86	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-53.4	-35.7	-178.3	175.9	180	152	-176.2	-7	113.2	K43	K43-R45 PolarHBondContact O-N 2.9Å
46	T	96.8	Very high	97.6	Very high	33 Å²	33	46 Å²	46	20%	0.202	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-109.7	10.1	178.4	65.9	0	0	0	0	112.6	K43 E44 N48 A49	K43-T46 WeakPolarHBondContact CD-OG1 3.36Å; K43-T46 WeakPolarHBondContact CG-OG1 3.3Å; K43-T46 PolarHBondContact O-N 3.07Å; E44-T46 PolarHBondContact O-N 2.85Å; E44-T46 VanDerWaalsContact O-N 3.1Å; T46-N48 PolarHBondContact O-N 3.08Å; T46-A49 VanDerWaalsContact O-CB 3.27Å; T46-A49 WeakPolarHBondContact O-CB 3.36Å; T46-A49 PolarHBondContact O-N 2.86Å
47	R	97.9	Very high	97.6	Very high	162 Å²	162	48.8 Å²	48.8	61%	0.611	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	43.3	-179	-63.8	-176.7	-177.8	178.1	0.6	111.9	K43 E44 A49 V83 A86	K43-R47 PolarHBondContact O-N 3.43Å; E44-R47 PolarHBondContact O-N 3.48Å; R47-A49 PolarHBondContact O-N 3.42Å; R47-V83 HydrophobicContact CB-CG1 3.71Å; R47-V83 HydrophobicContact CB-CG2 4.31Å; R47-V83 HydrophobicContact CG-CG1 4.49Å; R47-V83 HydrophobicContact CG-CG2 4.22Å; R47-V83 VanDerWaalsContact O-CG1 3.27Å; R47-V83 WeakPolarHBondContact O-CG1 3.45Å; R47-A86 HydrophobicContact CB-CB 3.73Å; R47-A86 WeakPolarHBondContact O-CB 3.42Å; R47-A86 PolarHBondContact O-N 3.33Å
48	N	98.4	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	34.9	-173.8	-50.3	-47.6	0	0	0	114.1	M41 R42 K43 T46 L50 S78 F84 C85	M41-N48 VanDerWaalsContact C-OD1 3.32Å; M41-N48 HydrophobicContact CB-CB 4.02Å; M41-N48 HydrophobicContact SD-CB 4.32Å; R42-N48 PolarHBondContact N-OD1 3.28Å; K43-N48 PolarHBondContact N-OD1 3.03Å; K43-N48 PolarHBondContact O-N 3.05Å; T46-N48 PolarHBondContact O-N 3.08Å; N48-L50 PolarHBondContact O-N 3.18Å; N48-S78 PolarHBondContact ND2-OG 3.46Å; N48-F84 WeakPolarHBondContact CB-O 3.49Å; N48-F84 PolarHBondContact ND2-O 3.32Å; N48-C85 PolarHBondContact O-SG 3.35Å
49	A	98.1	Very high	97.6	Very high	8 Å²	8	47.9 Å²	47.9	7%	0.066	21%	0.209	C	C	.	.			trans	-54	140.3	175.7	0	0	0	0	0	111.3	T46 R47 C51 G87 D89	T46-A49 VanDerWaalsContact O-CB 3.27Å; T46-A49 WeakPolarHBondContact O-CB 3.36Å; T46-A49 PolarHBondContact O-N 2.86Å; R47-A49 PolarHBondContact O-N 3.42Å; A49-C51 PolarHBondContact O-N 3.46Å; A49-C51 PolarHBondContact O-SG 3.41Å; A49-G87 CarbonylContact C-O 3.53Å; A49-G87 VanDerWaalsContact CA-O 3.28Å; A49-G87 WeakPolarHBondContact CA-O 3.23Å; A49-D89 HydrophobicContact CB-CB 3.86Å
50	L	98.2	Very high	97.6	Very high	3 Å²	3	53 Å²	53	2%	0.016	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-67.7	92.5	177.5	-58.2	179.6	0	0	0	109.7	N48 L54 F55 G87 D89 G133 L137 I165	N48-L50 PolarHBondContact O-N 3.18Å; L50-L54 HydrophobicContact CD2-CD1 3.86Å; L50-L54 HydrophobicContact CD2-CD2 3.84Å; L50-F55 HydrophobicContact CB-CE2 3.83Å; L50-F55 HydrophobicContact CB-CZ 4.22Å; L50-F55 HydrophobicContact CD1-CE2 4.48Å; L50-F55 HydrophobicContact CD1-CZ 4.12Å; L50-F55 HydrophobicContact CD2-CZ 4.27Å; L50-F55 HydrophobicContact CG-CZ 4.47Å; L50-G87 PolarHBondContact N-O 2.89Å; L50-D89 PolarHBondContact O-N 3.48Å; L50-D89 VanDerWaalsContact O-N 3.11Å; L50-G133 WeakPolarHBondContact CD1-O 3.41Å; L50-L137 HydrophobicContact CD2-CD2 4.44Å; L50-I165 HydrophobicContact CD1-CD1 3.57Å
51	C	96.9	Very high	97.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	23%	0.227	C	C	.	.			trans	-109.2	171.2	178.3	51.3	0	0	0	0	110.8	K43 A49 E53 L54 F55 D89 E92	K43-C51 PolarHBondContact NZ-SG 2.9Å; K43-C51 VanDerWaalsContact NZ-SG 3.42Å; A49-C51 PolarHBondContact O-N 3.46Å; A49-C51 PolarHBondContact O-SG 3.41Å; C51-E53 VanDerWaalsContact C-N 3.27Å; C51-E53 PolarHBondContact O-N 3Å; C51-L54 PolarHBondContact O-N 3.03Å; C51-F55 PolarHBondContact O-N 2.89Å; C51-D89 HydrophobicContact CB-CB 3.97Å; C51-E92 WeakPolarHBondContact CA-OE2 3.47Å; C51-E92 VanDerWaalsContact CB-CD 3.46Å; C51-E92 VanDerWaalsContact CB-OE1 3.31Å; C51-E92 WeakPolarHBondContact CB-OE1 3.32Å; C51-E92 WeakPolarHBondContact CB-OE2 3.43Å
52	F	96.8	Very high	97.7	Very high	109 Å²	109	52.9 Å²	52.9	48%	0.478	23%	0.228	S	C	.	.	H	α-helix	trans	-54.1	-43.9	175	-69.3	-76.1	0	0	0	112.6	L54 F55 D56 E92 M96 F104	F52-L54 VanDerWaalsContact C-N 3.33Å; F52-L54 PolarHBondContact O-N 2.76Å; F52-F55 PolarHBondContact O-N 3.14Å; F52-D56 WeakPolarHBondContact O-CB 3.41Å; F52-D56 PolarHBondContact O-N 3.3Å; F52-E92 HydrophobicContact CD2-CG 4.47Å; F52-E92 WeakPolarHBondContact CD2-OE2 3.39Å; F52-E92 HydrophobicContact CE2-CB 4.46Å; F52-E92 PolarHBondContact N-OE2 3.08Å; F52-M96 HydrophobicContact CD2-CE 4.33Å; F52-M96 HydrophobicContact CE1-CE 4.22Å; F52-M96 HydrophobicContact CE2-CE 3.38Å; F52-M96 HydrophobicContact CZ-CE 3.33Å; F52-F104 AromaticContact CD1-CD2 3.79Å; F52-F104 HydrophobicContact CD1-CD2 3.79Å; F52-F104 AromaticContact CD1-CE2 3.94Å; F52-F104 HydrophobicContact CD1-CE2 3.94Å; F52-F104 AromaticContact CE1-CD2 3.49Å; F52-F104 HydrophobicContact CE1-CD2 3.49Å; F52-F104 VanDerWaalsContact CE1-CD2 3.49Å; F52-F104 HydrophobicContact CE1-CE2 4.08Å; F52-F104 HydrophobicContact CG-CD2 4.45Å; F52-F104 HydrophobicContact CG-CE2 4.23Å; F52-F104 AromaticContact CZ-CD2 3.92Å; F52-F104 HydrophobicContact CZ-CD2 3.92Å; F52-F104 HydrophobicContact CZ-CE2 4.47Å
53	E	97	Very high	97.7	Very high	67 Å²	67	54.7 Å²	54.7	31%	0.313	24%	0.237	S	C	.	.	H	α-helix	trans	-58.4	-43.4	178.5	-174.9	-170.4	-179.7	0	0	111.7	N23 F24 K43 C51 D56 Q57	N23-E53 WeakPolarHBondContact CB-OE1 3.44Å; N23-E53 PolarHBondContact ND2-OE1 2.74Å; N23-E53 PolarHBondContact ND2-OE2 3.34Å; F24-E53 HydrophobicContact CD2-CG 4Å; F24-E53 HydrophobicContact CE2-CB 4.3Å; F24-E53 HydrophobicContact CE2-CG 4.03Å; K43-E53 IonicContact NZ-OE2 3.28Å; K43-E53 PolarHBondContact NZ-OE2 2.9Å; C51-E53 VanDerWaalsContact C-N 3.27Å; C51-E53 PolarHBondContact O-N 3Å; E53-D56 PolarHBondContact O-N 2.91Å; E53-Q57 VanDerWaalsContact O-CG 3.27Å; E53-Q57 WeakPolarHBondContact O-CG 3.36Å; E53-Q57 PolarHBondContact O-N 3.22Å
54	L	98.2	Very high	97.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.4	-48.5	179.7	-173.7	156.9	0	0	0	110.9	F24 M41 L50 C51 F52 Q57 L58	F24-L54 HydrophobicContact CD1-CD1 4.27Å; F24-L54 HydrophobicContact CD1-CG 4.13Å; F24-L54 HydrophobicContact CD2-CB 4.31Å; F24-L54 HydrophobicContact CE1-CB 3.99Å; F24-L54 HydrophobicContact CE1-CD1 3.48Å; F24-L54 VanDerWaalsContact CE1-CD1 3.48Å; F24-L54 HydrophobicContact CE1-CG 3.73Å; F24-L54 HydrophobicContact CE2-CB 3.74Å; F24-L54 HydrophobicContact CE2-CG 4.38Å; F24-L54 HydrophobicContact CZ-CB 3.57Å; F24-L54 HydrophobicContact CZ-CD1 3.72Å; F24-L54 HydrophobicContact CZ-CG 3.86Å; M41-L54 HydrophobicContact SD-CD1 4.18Å; L50-L54 HydrophobicContact CD2-CD1 3.86Å; L50-L54 HydrophobicContact CD2-CD2 3.84Å; C51-L54 PolarHBondContact O-N 3.03Å; F52-L54 VanDerWaalsContact C-N 3.33Å; F52-L54 PolarHBondContact O-N 2.76Å; L54-Q57 PolarHBondContact O-N 2.76Å; L54-L58 HydrophobicContact CD2-CD2 4.43Å; L54-L58 VanDerWaalsContact O-CB 3.28Å; L54-L58 WeakPolarHBondContact O-CB 3.39Å; L54-L58 PolarHBondContact O-N 2.89Å
55	F	98.3	Very high	97.9	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-67.5	-36.2	-178.7	-79	-63.6	0	0	0	112.6	L50 C51 F52 L58 D59 F104 A108 I111 I165	L50-F55 HydrophobicContact CB-CE2 3.83Å; L50-F55 HydrophobicContact CB-CZ 4.22Å; L50-F55 HydrophobicContact CD1-CE2 4.48Å; L50-F55 HydrophobicContact CD1-CZ 4.12Å; L50-F55 HydrophobicContact CD2-CZ 4.27Å; L50-F55 HydrophobicContact CG-CZ 4.47Å; C51-F55 PolarHBondContact O-N 2.89Å; F52-F55 PolarHBondContact O-N 3.14Å; F55-L58 PolarHBondContact O-N 3.36Å; F55-D59 VanDerWaalsContact O-CB 3.24Å; F55-D59 WeakPolarHBondContact O-CB 3.21Å; F55-D59 PolarHBondContact O-N 3.14Å; F55-F104 AromaticContact CD2-CE1 3.77Å; F55-F104 HydrophobicContact CD2-CE1 3.77Å; F55-F104 HydrophobicContact CD2-CE2 4.28Å; F55-F104 AromaticContact CD2-CZ 3.44Å; F55-F104 HydrophobicContact CD2-CZ 3.44Å; F55-F104 VanDerWaalsContact CD2-CZ 3.44Å; F55-F104 AromaticContact CE2-CE1 3.41Å; F55-F104 HydrophobicContact CE2-CE1 3.41Å; F55-F104 VanDerWaalsContact CE2-CE1 3.41Å; F55-F104 AromaticContact CE2-CZ 3.4Å; F55-F104 HydrophobicContact CE2-CZ 3.4Å; F55-F104 HydrophobicContact CZ-CE1 4.36Å; F55-A108 HydrophobicContact CD1-CB 4.18Å; F55-A108 HydrophobicContact CD2-CB 4.37Å; F55-A108 HydrophobicContact CE1-CB 3.63Å; F55-A108 HydrophobicContact CE2-CB 3.84Å; F55-A108 HydrophobicContact CZ-CB 3.44Å; F55-A108 VanDerWaalsContact CZ-CB 3.44Å; F55-I111 HydrophobicContact CB-CD1 3.84Å; F55-I111 HydrophobicContact CD1-CD1 3.95Å; F55-I111 HydrophobicContact CD1-CG2 4.47Å; F55-I111 HydrophobicContact CG-CD1 4.28Å; F55-I165 HydrophobicContact CZ-CD1 4.11Å
56	D	98	Very high	98	Very high	68 Å²	68	42.1 Å²	42.1	36%	0.364	20%	0.198	S	C	.	.	H	α-helix	trans	-62.1	-44.8	173.6	177	62.2	0	0	0	111.8	F52 E53 R60	F52-D56 WeakPolarHBondContact O-CB 3.41Å; F52-D56 PolarHBondContact O-N 3.3Å; E53-D56 PolarHBondContact O-N 2.91Å; D56-R60 WeakPolarHBondContact O-CG 3.48Å; D56-R60 PolarHBondContact O-N 2.96Å; D56-R60 IonicContact OD1-CZ 2.76Å; D56-R60 IonicContact OD1-NH1 2.77Å; D56-R60 IonicContact OD1-NH2 3.23Å; D56-R60 PolarHBondContact OD1-NH2 3.26Å; D56-R60 IonicContact OD2-CZ 3.27Å; D56-R60 IonicContact OD2-NH1 3.24Å; D56-R60 PolarHBondContact OD2-NH1 3.48Å; D56-R60 IonicContact OD2-NH2 3.37Å; D56-R60 PolarHBondContact OD2-NH2 3.09Å
57	Q	98.2	Very high	98	Very high	57 Å²	57	47 Å²	47	27%	0.266	22%	0.223	S	C	.	.	H	α-helix	trans	-69.1	-38.7	176.3	-63	-60.5	-21.6	0	0	112.4	F24 F39 E53 L54 R60 F61	F24-Q57 HydrophobicContact CB-CB 3.95Å; F24-Q57 HydrophobicContact CB-CG 4.07Å; F24-Q57 HydrophobicContact CD2-CG 4.4Å; F39-Q57 HydrophobicContact CE2-CB 4.11Å; F39-Q57 HydrophobicContact CZ-CB 4.35Å; E53-Q57 VanDerWaalsContact O-CG 3.27Å; E53-Q57 WeakPolarHBondContact O-CG 3.36Å; E53-Q57 PolarHBondContact O-N 3.22Å; L54-Q57 PolarHBondContact O-N 2.76Å; Q57-R60 PolarHBondContact O-N 3.25Å; Q57-F61 WeakPolarHBondContact O-CB 3.45Å; Q57-F61 PolarHBondContact O-N 3.45Å
58	L	98.7	Very high	97.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.3	-41.2	177.4	-176.4	61.9	0	0	0	111.6	F39 L54 F55 F61 V62 I111 L112 L137	F39-L58 HydrophobicContact CD1-CD1 4.12Å; F39-L58 HydrophobicContact CD2-CD1 4.44Å; F39-L58 HydrophobicContact CE1-CD1 4.14Å; F39-L58 HydrophobicContact CE2-CB 4.43Å; F39-L58 HydrophobicContact CE2-CD1 4.48Å; F39-L58 HydrophobicContact CG-CD1 4.26Å; F39-L58 HydrophobicContact CZ-CB 4.08Å; F39-L58 HydrophobicContact CZ-CD1 4.32Å; L54-L58 HydrophobicContact CD2-CD2 4.43Å; L54-L58 VanDerWaalsContact O-CB 3.28Å; L54-L58 WeakPolarHBondContact O-CB 3.39Å; L54-L58 PolarHBondContact O-N 2.89Å; F55-L58 PolarHBondContact O-N 3.36Å; L58-F61 HydrophobicContact CD1-CD1 4.27Å; L58-F61 PolarHBondContact O-N 3.08Å; L58-V62 HydrophobicContact CD1-CG2 4.28Å; L58-V62 HydrophobicContact CG-CG2 4.39Å; L58-V62 WeakPolarHBondContact O-CB 3.38Å; L58-V62 VanDerWaalsContact O-CG2 3.26Å; L58-V62 WeakPolarHBondContact O-CG2 3.39Å; L58-V62 PolarHBondContact O-N 2.97Å; L58-I111 HydrophobicContact CB-CG2 4.32Å; L58-I111 HydrophobicContact CD2-CG2 3.81Å; L58-I111 HydrophobicContact CG-CG2 3.81Å; L58-L112 HydrophobicContact CD2-CD2 4.16Å; L58-L137 HydrophobicContact CD2-CD1 3.8Å
59	D	98.6	Very high	97.6	Very high	18 Å²	18	51 Å²	51	10%	0.096	24%	0.24	C	C	.	.	H	α-helix	trans	-60.6	-44.9	176.7	-176.9	78.2	0	0	0	111.5	F55 V62 K63 R110 I111	F55-D59 VanDerWaalsContact O-CB 3.24Å; F55-D59 WeakPolarHBondContact O-CB 3.21Å; F55-D59 PolarHBondContact O-N 3.14Å; D59-V62 PolarHBondContact O-N 3.19Å; D59-K63 WeakPolarHBondContact O-CB 3.34Å; D59-K63 WeakPolarHBondContact O-CG 3.39Å; D59-K63 PolarHBondContact O-N 3Å; D59-K63 IonicContact OD1-NZ 2.72Å; D59-K63 VanDerWaalsContact OD2-CE 3.31Å; D59-K63 WeakPolarHBondContact OD2-CE 3.48Å; D59-K63 IonicContact OD2-NZ 2.78Å; D59-K63 PolarHBondContact OD2-NZ 3.13Å; D59-R110 IonicContact OD1-CZ 2.69Å; D59-R110 IonicContact OD1-NH1 2.89Å; D59-R110 PolarHBondContact OD1-NH1 3.04Å; D59-R110 IonicContact OD1-NH2 3.8Å; D59-R110 PolarHBondContact OD1-NH2 3.28Å; D59-I111 HydrophobicContact CB-CD1 3.87Å; D59-I111 HydrophobicContact CB-CG1 3.94Å
60	R	98.4	Very high	97.3	Very high	108 Å²	108	56.4 Å²	56.4	41%	0.408	26%	0.263	S	S	.	.	H	α-helix	trans	-60.3	-48.4	173.2	-69.1	-172.2	-167.1	105.4	12.4	111.6	D56 Q57 V62 K63 E64	D56-R60 WeakPolarHBondContact O-CG 3.48Å; D56-R60 PolarHBondContact O-N 2.96Å; D56-R60 IonicContact OD1-CZ 2.76Å; D56-R60 IonicContact OD1-NH1 2.77Å; D56-R60 IonicContact OD1-NH2 3.23Å; D56-R60 PolarHBondContact OD1-NH2 3.26Å; D56-R60 IonicContact OD2-CZ 3.27Å; D56-R60 IonicContact OD2-NH1 3.24Å; D56-R60 PolarHBondContact OD2-NH1 3.48Å; D56-R60 IonicContact OD2-NH2 3.37Å; D56-R60 PolarHBondContact OD2-NH2 3.09Å; Q57-R60 PolarHBondContact O-N 3.25Å; R60-V62 VanDerWaalsContact C-N 3.35Å; R60-V62 PolarHBondContact O-N 3.16Å; R60-K63 PolarHBondContact O-N 2.84Å; R60-E64 WeakPolarHBondContact O-CG 3.41Å; R60-E64 PolarHBondContact O-N 3.05Å
61	F	98.6	Very high	97.2	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-58	-45.2	179.1	173.6	-100.9	0	0	0	112.5	T26 R37 F39 Q57 L58 E64 A65 V74 L76	T26-F61 HydrophobicContact CG2-CB 4Å; T26-F61 HydrophobicContact CG2-CD2 3.49Å; T26-F61 VanDerWaalsContact CG2-CD2 3.49Å; T26-F61 HydrophobicContact CG2-CE2 4.37Å; T26-F61 HydrophobicContact CG2-CG 4.15Å; R37-F61 HydrophobicContact CB-CE2 3.89Å; R37-F61 HydrophobicContact CB-CZ 4Å; F39-F61 HydrophobicContact CB-CD1 3.87Å; F39-F61 HydrophobicContact CB-CD2 4.24Å; F39-F61 HydrophobicContact CB-CE1 3.69Å; F39-F61 HydrophobicContact CB-CE2 4.06Å; F39-F61 HydrophobicContact CB-CG 4.12Å; F39-F61 HydrophobicContact CB-CZ 3.78Å; F39-F61 HydrophobicContact CD2-CB 3.88Å; F39-F61 HydrophobicContact CD2-CD1 4.14Å; F39-F61 HydrophobicContact CD2-CD2 4.24Å; F39-F61 AromaticContact CD2-CG 3.82Å; F39-F61 HydrophobicContact CD2-CG 3.82Å; F39-F61 HydrophobicContact CE2-CB 4.34Å; F39-F61 HydrophobicContact CG-CD1 4.26Å; F39-F61 HydrophobicContact CG-CG 4.35Å; Q57-F61 WeakPolarHBondContact O-CB 3.45Å; Q57-F61 PolarHBondContact O-N 3.45Å; L58-F61 HydrophobicContact CD1-CD1 4.27Å; L58-F61 PolarHBondContact O-N 3.08Å; F61-E64 PolarHBondContact O-N 3Å; F61-A65 WeakPolarHBondContact O-CB 3.3Å; F61-A65 PolarHBondContact O-N 3.15Å; F61-V74 HydrophobicContact CE1-CG1 3.53Å; F61-V74 HydrophobicContact CZ-CG1 3.74Å; F61-L76 HydrophobicContact CE1-CD1 4.27Å
62	V	98.7	Very high	97.2	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.024	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-45.6	177.8	170.9	0	0	0	0	110.7	L58 D59 R60 E64 A65 A66 E114 L115 L118	L58-V62 HydrophobicContact CD1-CG2 4.28Å; L58-V62 HydrophobicContact CG-CG2 4.39Å; L58-V62 WeakPolarHBondContact O-CB 3.38Å; L58-V62 VanDerWaalsContact O-CG2 3.26Å; L58-V62 WeakPolarHBondContact O-CG2 3.39Å; L58-V62 PolarHBondContact O-N 2.97Å; D59-V62 PolarHBondContact O-N 3.19Å; R60-V62 VanDerWaalsContact C-N 3.35Å; R60-V62 PolarHBondContact O-N 3.16Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 PolarHBondContact O-N 3.34Å; V62-A65 PolarHBondContact O-N 3.13Å; V62-A66 WeakPolarHBondContact O-CB 3.28Å; V62-A66 PolarHBondContact O-N 3Å; V62-E114 HydrophobicContact CG1-CB 3.82Å; V62-L115 HydrophobicContact CG2-CB 3.94Å; V62-L115 HydrophobicContact CG2-CD1 3.74Å; V62-L115 HydrophobicContact CG2-CG 4.45Å; V62-L118 HydrophobicContact CG1-CD2 4.22Å; V62-L118 HydrophobicContact CG1-CG 4.37Å
63	K	98.5	Very high	97.3	Very high	101 Å²	101	54.3 Å²	54.3	44%	0.439	25%	0.254	S	S	.	.	H	α-helix	trans	-62.6	-39.5	177.2	-74.4	169.7	178.5	167.3	0	112.5	D59 R60 N67	D59-K63 WeakPolarHBondContact O-CB 3.34Å; D59-K63 WeakPolarHBondContact O-CG 3.39Å; D59-K63 PolarHBondContact O-N 3Å; D59-K63 IonicContact OD1-NZ 2.72Å; D59-K63 VanDerWaalsContact OD2-CE 3.31Å; D59-K63 WeakPolarHBondContact OD2-CE 3.48Å; D59-K63 IonicContact OD2-NZ 2.78Å; D59-K63 PolarHBondContact OD2-NZ 3.13Å; R60-K63 PolarHBondContact O-N 2.84Å; K63-N67 PolarHBondContact O-N 2.98Å; K63-N67 PolarHBondContact O-ND2 2.94Å
64	E	98	Very high	97.3	Very high	88 Å²	88	51.1 Å²	51.1	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-65.7	-45.5	174.7	-73.2	-176.7	-164.8	0	0	112	R37 R60 F61 V62 A66 N67 D68	R37-E64 IonicContact NH1-OE2 3.55Å; R37-E64 PolarHBondContact NH1-OE2 3.14Å; R60-E64 WeakPolarHBondContact O-CG 3.41Å; R60-E64 PolarHBondContact O-N 3.05Å; F61-E64 PolarHBondContact O-N 3Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 PolarHBondContact O-N 3.34Å; E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 3.16Å; E64-N67 PolarHBondContact O-N 2.87Å; E64-D68 PolarHBondContact O-N 3.13Å; E64-D68 VanDerWaalsContact O-N 3.16Å
65	A	98.2	Very high	97.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-39.4	178.2	0	0	0	0	0	112.1	F61 V62 N67 D68 V74 L118 M120	F61-A65 WeakPolarHBondContact O-CB 3.3Å; F61-A65 PolarHBondContact O-N 3.15Å; V62-A65 PolarHBondContact O-N 3.13Å; A65-N67 VanDerWaalsContact C-N 3.27Å; A65-N67 PolarHBondContact O-N 3.48Å; A65-D68 PolarHBondContact O-N 3.21Å; A65-D68 VanDerWaalsContact O-N 3.14Å; A65-V74 HydrophobicContact CB-CG2 3.86Å; A65-L118 HydrophobicContact CB-CD1 4.11Å; A65-L118 HydrophobicContact CB-CD2 4.21Å; A65-M120 WeakPolarHBondContact O-CE 3.26Å
66	A	97.7	Very high	97.4	Very high	53 Å²	53	50.9 Å²	50.9	44%	0.438	24%	0.238	S	C	.	.	H	α-helix	trans	-60.6	-36.3	176.2	0	0	0	0	0	112.5	V62 E64 D68 L118	V62-A66 WeakPolarHBondContact O-CB 3.28Å; V62-A66 PolarHBondContact O-N 3Å; E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 3.16Å; A66-D68 VanDerWaalsContact C-N 3.34Å; A66-L118 HydrophobicContact CB-CD2 3.71Å
67	N	96.9	Very high	97.4	Very high	136 Å²	136	48.9 Å²	48.9	73%	0.727	23%	0.227	S	C	*	.	H	α-helix	trans	-83.1	-9.6	178.7	-72.4	-55.8	0	0	0	113.5	K63 E64 A65 R69	K63-N67 PolarHBondContact O-N 2.98Å; K63-N67 PolarHBondContact O-ND2 2.94Å; E64-N67 PolarHBondContact O-N 2.87Å; A65-N67 VanDerWaalsContact C-N 3.27Å; A65-N67 PolarHBondContact O-N 3.48Å; N67-R69 PolarHBondContact O-N 2.95Å
68	D	95.8	Very high	97.4	Very high	24 Å²	24	47 Å²	47	13%	0.128	22%	0.22	C	C	.	.			trans	-87.8	96.4	-179.3	-165.4	-25.9	0	0	0	112	R37 E64 A65 A66 Q70 C71	R37-D68 IonicContact CZ-OD2 3.27Å; R37-D68 IonicContact NE-OD2 2.66Å; R37-D68 PolarHBondContact NE-OD2 3.17Å; R37-D68 IonicContact NH2-OD2 3.35Å; R37-D68 PolarHBondContact NH2-OD2 3.4Å; E64-D68 PolarHBondContact O-N 3.13Å; E64-D68 VanDerWaalsContact O-N 3.16Å; A65-D68 PolarHBondContact O-N 3.21Å; A65-D68 VanDerWaalsContact O-N 3.14Å; A66-D68 VanDerWaalsContact C-N 3.34Å; D68-Q70 PolarHBondContact O-N 3.21Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.41Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.5Å; D68-Q70 PolarHBondContact OD1-N 3.41Å; D68-C71 HydrophobicContact CB-CB 3.78Å; D68-C71 PolarHBondContact O-N 3.42Å; D68-C71 PolarHBondContact OD1-N 3Å
69	R	91.6	Very high	97.4	Very high	223 Å²	223	49.5 Å²	49.5	84%	0.842	23%	0.233	S	C	*	.	S	Bend	trans	-67.6	-19.9	176.6	-64.1	-174.7	-178.5	172.8	0.8	113.5	N67 R234	N67-R69 PolarHBondContact O-N 2.95Å; R69-R234 PolarHBondContact O-NH2 3.41Å
70	Q	92.8	Very high	97.3	Very high	120 Å²	120	49.6 Å²	49.6	56%	0.561	23%	0.234	S	C	*	.	S	Bend	trans	-88	-27.9	-179.6	-64	-172.7	-3.3	0	0	112.1	D68 K72	D68-Q70 PolarHBondContact O-N 3.21Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.41Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.5Å; D68-Q70 PolarHBondContact OD1-N 3.41Å; Q70-K72 PolarHBondContact O-N 2.94Å
71	C	96	Very high	97.1	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.243	C	C	.	.			trans	-53.2	124.2	177.7	-176.7	0	0	0	0	112	D68 A73 M120 R234	D68-C71 HydrophobicContact CB-CB 3.78Å; D68-C71 PolarHBondContact O-N 3.42Å; D68-C71 PolarHBondContact OD1-N 3Å; C71-A73 PolarHBondContact SG-O 3.45Å; C71-A73 VanDerWaalsContact SG-O 3.33Å; C71-M120 HydrophobicContact CB-CE 4.15Å; C71-R234 PolarHBondContact O-NH2 3.33Å
72	K	96.3	Very high	97	Very high	67 Å²	67	52 Å²	52	29%	0.291	25%	0.254	S	S	.	.			trans	-97.8	-30.2	-178.5	-61.7	-53.6	-175.7	-164.8	0	112.9	A35 Q70 P230	A35-K72 PolarHBondContact O-N 3.45Å; Q70-K72 PolarHBondContact O-N 2.94Å; K72-P230 HydrophobicContact CD-CB 4.24Å; K72-P230 HydrophobicContact CD-CG 4.2Å
73	A	98.2	Very high	97	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	153.5	173.4	0	0	0	0	0	110.8	L36 R37 C71 P121 I222	L36-A73 HydrophobicContact CD2-CB 3.94Å; R37-A73 PolarHBondContact N-O 3.15Å; C71-A73 PolarHBondContact SG-O 3.45Å; C71-A73 VanDerWaalsContact SG-O 3.33Å; A73-P121 WeakPolarHBondContact CA-O 3.28Å; A73-I222 HydrophobicContact CB-CD1 4.27Å; A73-I222 HydrophobicContact CB-CG1 4.23Å
74	V	98.7	Very high	97	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	139.2	172.5	163.8	0	0	0	0	109	R37 F61 A65 L76 L118 M120 P121 V122 M123	R37-V74 HydrophobicContact CB-CG2 4.35Å; R37-V74 CarbonylContact O-C 3.6Å; R37-V74 VanDerWaalsContact O-CA 3.32Å; R37-V74 WeakPolarHBondContact O-CA 3.46Å; F61-V74 HydrophobicContact CE1-CG1 3.53Å; F61-V74 HydrophobicContact CZ-CG1 3.74Å; A65-V74 HydrophobicContact CB-CG2 3.86Å; V74-L76 HydrophobicContact CG1-CD1 3.81Å; V74-L118 HydrophobicContact CG2-CD1 4.09Å; V74-M120 HydrophobicContact CG2-CG 4.17Å; V74-M120 HydrophobicContact CG2-SD 4.21Å; V74-P121 PolarHBondContact N-O 3.2Å; V74-V122 HydrophobicContact CB-CG1 4.48Å; V74-V122 HydrophobicContact CB-CG2 4.24Å; V74-V122 HydrophobicContact CG1-CG1 4.07Å; V74-M123 PolarHBondContact O-N 2.94Å
75	V	98.9	Very high	97	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.7	175.3	-174.9	0	0	0	0	110.8	R37 V38 F39 M123 Y215 T218 I222	R37-V75 PolarHBondContact O-N 3.07Å; V38-V75 CarbonylContact C-O 3.6Å; V38-V75 VanDerWaalsContact CA-O 3.24Å; V38-V75 WeakPolarHBondContact CA-O 3.45Å; V38-V75 HydrophobicContact CG1-CB 4.33Å; V38-V75 HydrophobicContact CG2-CB 4.13Å; F39-V75 PolarHBondContact N-O 3.3Å; V75-M123 CarbonylContact C-O 3.57Å; V75-M123 VanDerWaalsContact CA-O 3.3Å; V75-M123 WeakPolarHBondContact CA-O 3.18Å; V75-Y215 HydrophobicContact CG1-CD2 4.09Å; V75-Y215 HydrophobicContact CG1-CE2 3.97Å; V75-T218 HydrophobicContact CG1-CG2 3.89Å; V75-T218 HydrophobicContact CG2-CG2 3.89Å; V75-I222 HydrophobicContact CG2-CD1 3.72Å
76	L	98.9	Very high	97	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133	167	-83.6	62.9	0	0	0	109.2	F39 F61 V74 L115 V122 M123 V124 A125 L137	F39-L76 HydrophobicContact CB-CD1 4.31Å; F39-L76 HydrophobicContact CB-CG 4.16Å; F39-L76 HydrophobicContact CD1-CG 4.34Å; F61-L76 HydrophobicContact CE1-CD1 4.27Å; V74-L76 HydrophobicContact CG1-CD1 3.81Å; L76-L115 HydrophobicContact CD1-CD1 4.13Å; L76-L115 HydrophobicContact CD2-CD2 3.92Å; L76-V122 HydrophobicContact CD1-CG1 4.36Å; L76-M123 PolarHBondContact N-O 3.06Å; L76-V124 HydrophobicContact CB-CB 4.34Å; L76-V124 HydrophobicContact CB-CG2 4.07Å; L76-V124 WeakPolarHBondContact O-CA 3.37Å; L76-A125 PolarHBondContact O-N 3.42Å; L76-L137 HydrophobicContact CD2-CD1 3.68Å; L76-L137 HydrophobicContact CD2-CD2 4.3Å; L76-L137 HydrophobicContact CD2-CG 4Å
77	K	98.6	Very high	97	Very high	26 Å²	26	43.4 Å²	43.4	11%	0.113	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	163.7	175.5	68.4	-179	-69.7	-114.8	0	111.9	V38 F39 M41 D79 A125 Y215	V38-K77 HydrophobicContact CG1-CD 3.72Å; V38-K77 HydrophobicContact CG1-CG 3.84Å; F39-K77 PolarHBondContact O-N 2.93Å; M41-K77 PolarHBondContact N-O 3.47Å; K77-D79 WeakPolarHBondContact CE-OD1 3.47Å; K77-D79 IonicContact NZ-OD1 2.82Å; K77-D79 PolarHBondContact NZ-OD1 3.44Å; K77-A125 HydrophobicContact CB-CB 4.29Å; K77-Y215 HydrophobicContact CD-CD2 3.8Å; K77-Y215 HydrophobicContact CD-CE1 4.45Å; K77-Y215 HydrophobicContact CD-CE2 3.74Å; K77-Y215 HydrophobicContact CD-CG 4.2Å
78	S	98.4	Very high	96.9	Very high	18 Å²	18	38.2 Å²	38.2	13%	0.126	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143.8	163.8	-172.2	0	0	0	0	111.5	M41 N48 V80 V83	M41-S78 WeakPolarHBondContact O-CA 3.36Å; M41-S78 PolarHBondContact O-OG 3.21Å; N48-S78 PolarHBondContact ND2-OG 3.46Å; S78-V80 WeakPolarHBondContact OG-CB 3.5Å; S78-V80 PolarHBondContact OG-N 2.69Å; S78-V83 WeakPolarHBondContact CB-O 3.36Å; S78-V83 PolarHBondContact OG-O 3.41Å; S78-V83 VanDerWaalsContact OG-O 3.06Å
79	D	97.2	Very high	97	Very high	51 Å²	51	37.9 Å²	37.9	27%	0.273	19%	0.192	S	C	.	.			trans	-95.7	-4	167.1	-57.6	-33.2	0	0	0	112.2	H40 M41 R42 K77	H40-D79 IonicContact CE1-OD2 3.48Å; H40-D79 IonicContact CG-OD2 3.92Å; H40-D79 IonicContact ND1-OD1 3.55Å; H40-D79 PolarHBondContact ND1-OD1 3.36Å; H40-D79 IonicContact ND1-OD2 3Å; H40-D79 PolarHBondContact ND1-OD2 3.27Å; M41-D79 PolarHBondContact O-N 2.82Å; R42-D79 HydrophobicContact CG-CB 4.03Å; R42-D79 IonicContact CZ-OD2 2.62Å; R42-D79 IonicContact NE-OD2 2.66Å; R42-D79 PolarHBondContact NE-OD2 2.83Å; R42-D79 IonicContact NH2-OD2 3.04Å; R42-D79 PolarHBondContact NH2-OD2 3.36Å; K77-D79 WeakPolarHBondContact CE-OD1 3.47Å; K77-D79 IonicContact NZ-OD1 2.82Å; K77-D79 PolarHBondContact NZ-OD1 3.44Å
80	V	96.8	Very high	97.2	Very high	20 Å²	20	32 Å²	32	12%	0.121	18%	0.177	C	C	.	.	S	Bend	trans	-80.1	119.4	175.9	-175.6	0	0	0	0	109.2	E44 S78 G82 V83	E44-V80 HydrophobicContact CB-CG1 4.35Å; E44-V80 HydrophobicContact CB-CG2 4.33Å; E44-V80 HydrophobicContact CG-CG1 4.22Å; S78-V80 WeakPolarHBondContact OG-CB 3.5Å; S78-V80 PolarHBondContact OG-N 2.69Å; V80-G82 PolarHBondContact O-N 2.97Å; V80-V83 HydrophobicContact CB-CB 4.41Å; V80-V83 HydrophobicContact CG1-CB 4.02Å; V80-V83 HydrophobicContact CG1-CG2 4.46Å; V80-V83 PolarHBondContact O-N 2.87Å
81	K	94.8	Very high	97.3	Very high	137 Å²	137	34 Å²	34	60%	0.596	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.9	128.1	-175.4	-62.5	-65.4	175.5	-165.1	0	111.6	V83 S210 M211	K81-V83 PolarHBondContact O-N 2.93Å; K81-S210 PolarHBondContact NZ-O 2.81Å; K81-M211 HydrophobicContact CD-CB 3.72Å; K81-M211 HydrophobicContact CD-CG 4.29Å
82	G	96.1	Very high	97.3	Very high	22 Å²	22	36.2 Å²	36.2	23%	0.227	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	-0.7	177	0	0	0	0	0	115.3	V80 G128 H129	V80-G82 PolarHBondContact O-N 2.97Å; G82-G128 CarbonylContact O-C 3.45Å; G82-G128 VanDerWaalsContact O-CA 3.28Å; G82-G128 WeakPolarHBondContact O-CA 3.44Å; G82-H129 PolarHBondContact O-N 3.44Å
83	V	97.9	Very high	97.2	Very high	19 Å²	19	35.8 Å²	35.8	12%	0.115	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.6	179.3	175.6	0	0	0	0	109.9	R47 S78 V80 K81	R47-V83 HydrophobicContact CB-CG1 3.71Å; R47-V83 HydrophobicContact CB-CG2 4.31Å; R47-V83 HydrophobicContact CG-CG1 4.49Å; R47-V83 HydrophobicContact CG-CG2 4.22Å; R47-V83 VanDerWaalsContact O-CG1 3.27Å; R47-V83 WeakPolarHBondContact O-CG1 3.45Å; S78-V83 WeakPolarHBondContact CB-O 3.36Å; S78-V83 PolarHBondContact OG-O 3.41Å; S78-V83 VanDerWaalsContact OG-O 3.06Å; V80-V83 HydrophobicContact CB-CB 4.41Å; V80-V83 HydrophobicContact CG1-CB 4.02Å; V80-V83 HydrophobicContact CG1-CG2 4.46Å; V80-V83 PolarHBondContact O-N 2.87Å; K81-V83 PolarHBondContact O-N 2.93Å
84	F	98.7	Very high	97.1	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-63.5	164.4	175.6	-103.4	0	0	0	109.4	M41 N48 V124 I126 G128 H129 A130 G134 L137 A138	M41-F84 HydrophobicContact CE-CD1 4.27Å; M41-F84 HydrophobicContact CE-CD2 3.65Å; M41-F84 HydrophobicContact CE-CE1 3.99Å; M41-F84 HydrophobicContact CE-CE2 3.31Å; M41-F84 HydrophobicContact CE-CG 4.11Å; M41-F84 HydrophobicContact CE-CZ 3.5Å; M41-F84 VanDerWaalsContact CE-CZ 3.5Å; M41-F84 WeakPolarHBondContact CE-O 3.4Å; N48-F84 WeakPolarHBondContact CB-O 3.49Å; N48-F84 PolarHBondContact ND2-O 3.32Å; F84-V124 HydrophobicContact CD2-CG2 4.44Å; F84-V124 HydrophobicContact CE1-CG2 4.22Å; F84-V124 HydrophobicContact CE2-CG2 3.44Å; F84-V124 VanDerWaalsContact CE2-CG2 3.44Å; F84-V124 HydrophobicContact CZ-CG2 3.3Å; F84-I126 HydrophobicContact CB-CG2 4.19Å; F84-I126 HydrophobicContact CG-CG2 4.45Å; F84-G128 WeakPolarHBondContact CB-O 3.43Å; F84-G128 VanDerWaalsContact N-C 3.29Å; F84-H129 WeakPolarHBondContact CA-O 3.44Å; F84-H129 WeakPolarHBondContact CB-O 3.39Å; F84-H129 PolarHBondContact N-O 3.03Å; F84-A130 HydrophobicContact CB-CB 4.17Å; F84-A130 HydrophobicContact CD1-CB 3.67Å; F84-A130 HydrophobicContact CG-CB 4.3Å; F84-G134 WeakPolarHBondContact CE1-O 3.26Å; F84-L137 HydrophobicContact CE1-CD2 4.26Å; F84-L137 HydrophobicContact CZ-CD2 4.25Å; F84-A138 HydrophobicContact CE1-CB 4.21Å
85	C	98.6	Very high	97	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	128	176.4	174.9	0	0	0	0	109.7	N48 G87 H129 A130 L131 G134	N48-C85 PolarHBondContact O-SG 3.35Å; C85-G87 VanDerWaalsContact C-N 3.28Å; C85-G87 PolarHBondContact O-N 2.99Å; C85-H129 PolarHBondContact N-O 3.01Å; C85-H129 VanDerWaalsContact N-O 3.08Å; C85-A130 WeakPolarHBondContact O-CA 3.31Å; C85-L131 PolarHBondContact O-N 3.06Å; C85-G134 WeakPolarHBondContact SG-CA 3.37Å
86	A	97.4	Very high	96.9	Very high	42 Å²	42	46.2 Å²	46.2	35%	0.347	26%	0.262	S	S	.	.			trans	-81.5	2.4	-175.7	0	0	0	0	0	115.1	R47 L131	R47-A86 HydrophobicContact CB-CB 3.73Å; R47-A86 WeakPolarHBondContact O-CB 3.42Å; R47-A86 PolarHBondContact O-N 3.33Å; A86-L131 CarbonylContact C-O 3.59Å
87	G	97.4	Very high	96.8	Very high	4 Å²	4	53.2 Å²	53.2	4%	0.041	29%	0.293	C	S	.	.	S	Bend	trans	101.3	-156.4	-177.2	0	0	0	0	0	112.7	A49 L50 C85 L131	A49-G87 CarbonylContact C-O 3.53Å; A49-G87 VanDerWaalsContact CA-O 3.28Å; A49-G87 WeakPolarHBondContact CA-O 3.23Å; L50-G87 PolarHBondContact N-O 2.89Å; C85-G87 VanDerWaalsContact C-N 3.28Å; C85-G87 PolarHBondContact O-N 2.99Å; G87-L131 WeakPolarHBondContact CA-O 3.3Å; G87-L131 PolarHBondContact N-O 3.07Å; G87-L131 VanDerWaalsContact N-O 3.08Å
88	G	96.8	Very high	96.7	Very high	28 Å²	28	58.6 Å²	58.6	29%	0.289	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-63.7	143.9	-179.7	0	0	0	0	0	113.8	L90	G88-L90 PolarHBondContact O-N 3.41Å
89	D	97.2	Very high	96.7	Very high	16 Å²	16	62.3 Å²	62.3	9%	0.086	34%	0.341	C	S	.	.			trans	-72.4	94	168.8	-166.6	-39.9	0	0	0	110.2	A49 L50 C51 K91 E92 R93	A49-D89 HydrophobicContact CB-CB 3.86Å; L50-D89 PolarHBondContact O-N 3.48Å; L50-D89 VanDerWaalsContact O-N 3.11Å; C51-D89 HydrophobicContact CB-CB 3.97Å; D89-K91 PolarHBondContact O-N 3.46Å; D89-K91 WeakPolarHBondContact OD1-CB 3.48Å; D89-K91 PolarHBondContact OD1-N 3.44Å; D89-E92 HydrophobicContact CB-CB 4.26Å; D89-E92 HydrophobicContact CB-CG 4.24Å; D89-E92 PolarHBondContact O-N 2.94Å; D89-E92 PolarHBondContact OD1-N 3.32Å; D89-R93 VanDerWaalsContact O-CG 3.28Å; D89-R93 WeakPolarHBondContact O-CG 3.33Å; D89-R93 PolarHBondContact O-N 3.5Å
90	L	94.8	Very high	96.7	Very high	101 Å²	101	64 Å²	64	53%	0.529	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-21.7	-176.1	-58.7	-176.2	0	0	0	113.4	G88 R93 A94 I159	G88-L90 PolarHBondContact O-N 3.41Å; L90-R93 HydrophobicContact CD2-CG 4.49Å; L90-R93 PolarHBondContact O-N 2.96Å; L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.45Å; L90-I159 HydrophobicContact CD1-CD1 4.24Å; L90-I159 HydrophobicContact CD2-CD1 3.83Å
91	K	95.7	Very high	96.7	Very high	162 Å²	162	65.4 Å²	65.4	70%	0.704	36%	0.356	S	S	*	.	H	α-helix	trans	-72.9	-43.6	176	-64.8	179.7	178.4	179.1	0	110.5	D89 R93	D89-K91 PolarHBondContact O-N 3.46Å; D89-K91 WeakPolarHBondContact OD1-CB 3.48Å; D89-K91 PolarHBondContact OD1-N 3.44Å; K91-R93 VanDerWaalsContact C-N 3.3Å
92	E	95.9	Very high	96.8	Very high	46 Å²	46	63.6 Å²	63.6	22%	0.215	35%	0.352	C	S	.	.	H	α-helix	trans	-64.4	-37.5	170.9	-67.2	-173.7	174	0	0	111	C51 F52 D89 A94 T95 M96	C51-E92 WeakPolarHBondContact CA-OE2 3.47Å; C51-E92 VanDerWaalsContact CB-CD 3.46Å; C51-E92 VanDerWaalsContact CB-OE1 3.31Å; C51-E92 WeakPolarHBondContact CB-OE1 3.32Å; C51-E92 WeakPolarHBondContact CB-OE2 3.43Å; F52-E92 HydrophobicContact CD2-CG 4.47Å; F52-E92 WeakPolarHBondContact CD2-OE2 3.39Å; F52-E92 HydrophobicContact CE2-CB 4.46Å; F52-E92 PolarHBondContact N-OE2 3.08Å; D89-E92 HydrophobicContact CB-CB 4.26Å; D89-E92 HydrophobicContact CB-CG 4.24Å; D89-E92 PolarHBondContact O-N 2.94Å; D89-E92 PolarHBondContact OD1-N 3.32Å; E92-A94 PolarHBondContact O-N 2.91Å; E92-T95 PolarHBondContact O-N 3.08Å; E92-T95 PolarHBondContact O-OG1 3.31Å; E92-M96 HydrophobicContact CB-CE 4.07Å; E92-M96 WeakPolarHBondContact O-CG 3.24Å
93	R	95.1	Very high	96.8	Very high	57 Å²	57	67.5 Å²	67.5	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-63.4	-41.6	179	-62.2	-32.5	-174	141.9	10.3	113.1	D89 L90 K91 T95 M96 F104	D89-R93 VanDerWaalsContact O-CG 3.28Å; D89-R93 WeakPolarHBondContact O-CG 3.33Å; D89-R93 PolarHBondContact O-N 3.5Å; L90-R93 HydrophobicContact CD2-CG 4.49Å; L90-R93 PolarHBondContact O-N 2.96Å; K91-R93 VanDerWaalsContact C-N 3.3Å; R93-T95 PolarHBondContact O-N 3.49Å; R93-T95 VanDerWaalsContact O-N 3.15Å; R93-M96 PolarHBondContact NH1-SD 3.12Å; R93-M96 PolarHBondContact O-N 3.09Å; R93-F104 VanDerWaalsContact NH2-CZ 3.26Å
94	A	95.1	Very high	96.8	Very high	86 Å²	86	67.1 Å²	67.1	71%	0.711	36%	0.364	S	S	*	.	H	α-helix	trans	-63.9	-18.7	-177.9	0	0	0	0	0	113.4	L90 E92	L90-A94 WeakPolarHBondContact O-CB 3.41Å; L90-A94 PolarHBondContact O-N 3.45Å; E92-A94 PolarHBondContact O-N 2.91Å
95	T	96.3	Very high	96.8	Very high	112 Å²	112	69.1 Å²	69.1	69%	0.687	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-8	-179.3	59.8	0	0	0	0	114.1	E92 R93	E92-T95 PolarHBondContact O-N 3.08Å; E92-T95 PolarHBondContact O-OG1 3.31Å; R93-T95 PolarHBondContact O-N 3.49Å; R93-T95 VanDerWaalsContact O-N 3.15Å
96	M	96.8	Very high	96.8	Very high	23 Å²	23	72.8 Å²	72.8	11%	0.113	40%	0.395	C	S	.	.			trans	-80.5	139.8	-177.1	-69.8	166.7	-170.7	0	0	111.5	F52 E92 R93 E100 V101 F104	F52-M96 HydrophobicContact CD2-CE 4.33Å; F52-M96 HydrophobicContact CE1-CE 4.22Å; F52-M96 HydrophobicContact CE2-CE 3.38Å; F52-M96 HydrophobicContact CZ-CE 3.33Å; E92-M96 HydrophobicContact CB-CE 4.07Å; E92-M96 WeakPolarHBondContact O-CG 3.24Å; R93-M96 PolarHBondContact NH1-SD 3.12Å; R93-M96 PolarHBondContact O-N 3.09Å; M96-E100 WeakPolarHBondContact CA-OE2 3.36Å; M96-E100 HydrophobicContact CB-CB 4.09Å; M96-E100 HydrophobicContact CG-CB 4.3Å; M96-V101 HydrophobicContact CB-CG2 3.61Å; M96-V101 HydrophobicContact SD-CG2 4.23Å; M96-F104 HydrophobicContact CE-CD2 3.57Å; M96-F104 HydrophobicContact CE-CE2 3.97Å; M96-F104 HydrophobicContact CE-CG 4.29Å; M96-F104 HydrophobicContact SD-CD2 4.44Å
97	K	96.9	Very high	96.8	Very high	146 Å²	146	73.9 Å²	73.9	64%	0.635	40%	0.395	S	S	*	.			trans	-76.5	160.1	162.7	-62	177.3	-176.3	176.3	0	110.6	N99 E100 V101	K97-N99 VanDerWaalsContact C-N 3.28Å; K97-N99 VanDerWaalsContact CB-OD1 3.32Å; K97-N99 WeakPolarHBondContact CB-OD1 3.44Å; K97-N99 PolarHBondContact O-N 3.19Å; K97-N99 VanDerWaalsContact O-N 3.16Å; K97-E100 HydrophobicContact CB-CG 4.37Å; K97-E100 PolarHBondContact N-OE2 3.31Å; K97-E100 WeakPolarHBondContact O-CA 3.07Å; K97-E100 WeakPolarHBondContact O-CB 3.46Å; K97-E100 PolarHBondContact O-N 2.95Å; K97-V101 PolarHBondContact O-N 3.43Å
98	D	97.3	Very high	96.9	Very high	140 Å²	140	73.7 Å²	73.7	75%	0.749	39%	0.393	S	S	*	.	H	α-helix	trans	-51.9	-42.9	-176.4	-63.7	-7.6	0	0	0	113.7	E100 V101 I102	D98-E100 PolarHBondContact O-N 3.3Å; D98-V101 WeakPolarHBondContact O-CB 3.26Å; D98-V101 PolarHBondContact O-N 2.88Å; D98-I102 WeakPolarHBondContact O-CG1 3.35Å; D98-I102 PolarHBondContact O-N 2.89Å
99	N	97	Very high	97	Very high	96 Å²	96	76.6 Å²	76.6	51%	0.513	40%	0.395	S	S	.	.	H	α-helix	trans	-67.4	-34.4	177.1	65.8	-40.6	0	0	0	112.8	K97 I102 N103	K97-N99 VanDerWaalsContact C-N 3.28Å; K97-N99 VanDerWaalsContact CB-OD1 3.32Å; K97-N99 WeakPolarHBondContact CB-OD1 3.44Å; K97-N99 PolarHBondContact O-N 3.19Å; K97-N99 VanDerWaalsContact O-N 3.16Å; N99-I102 PolarHBondContact O-N 2.87Å; N99-N103 WeakPolarHBondContact O-CB 3.48Å; N99-N103 PolarHBondContact O-N 2.91Å; N99-N103 PolarHBondContact O-ND2 2.9Å
100	E	97.6	Very high	97	Very high	86 Å²	86	79.9 Å²	79.9	40%	0.402	41%	0.406	S	S	.	.	H	α-helix	trans	-70	-36.1	175.1	-62.1	174.4	136.9	0	0	111.1	M96 K97 D98 F104	M96-E100 WeakPolarHBondContact CA-OE2 3.36Å; M96-E100 HydrophobicContact CB-CB 4.09Å; M96-E100 HydrophobicContact CG-CB 4.3Å; K97-E100 HydrophobicContact CB-CG 4.37Å; K97-E100 PolarHBondContact N-OE2 3.31Å; K97-E100 WeakPolarHBondContact O-CA 3.07Å; K97-E100 WeakPolarHBondContact O-CB 3.46Å; K97-E100 PolarHBondContact O-N 2.95Å; D98-E100 PolarHBondContact O-N 3.3Å; E100-F104 VanDerWaalsContact O-CB 3.28Å; E100-F104 WeakPolarHBondContact O-CB 3.47Å; E100-F104 PolarHBondContact O-N 3.28Å
101	V	96.6	Very high	97.2	Very high	49 Å²	49	75.1 Å²	75.1	30%	0.297	38%	0.381	S	S	.	.	H	α-helix	trans	-61.5	-48.1	172.6	177.3	0	0	0	0	110.5	M96 K97 D98 F104 L105	M96-V101 HydrophobicContact CB-CG2 3.61Å; M96-V101 HydrophobicContact SD-CG2 4.23Å; K97-V101 PolarHBondContact O-N 3.43Å; D98-V101 WeakPolarHBondContact O-CB 3.26Å; D98-V101 PolarHBondContact O-N 2.88Å; V101-F104 PolarHBondContact O-N 2.86Å; V101-L105 HydrophobicContact CG1-CD1 4.02Å; V101-L105 HydrophobicContact CG1-CG 4.49Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 3.05Å
102	I	97.1	Very high	97.4	Very high	99 Å²	99	67.4 Å²	67.4	51%	0.508	35%	0.347	S	S	.	.	H	α-helix	trans	-58.7	-53.1	177.8	-67.5	166.7	0	0	0	110.3	D98 N99 F104 L105 D106	D98-I102 WeakPolarHBondContact O-CG1 3.35Å; D98-I102 PolarHBondContact O-N 2.89Å; N99-I102 PolarHBondContact O-N 2.87Å; I102-F104 VanDerWaalsContact C-N 3.3Å; I102-F104 PolarHBondContact O-N 2.95Å; I102-L105 PolarHBondContact O-N 3.42Å; I102-L105 VanDerWaalsContact O-N 3.08Å; I102-D106 PolarHBondContact O-N 3.28Å
103	N	97.6	Very high	97.5	Very high	104 Å²	104	68.3 Å²	68.3	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-59.1	-40.8	-179.8	-72.5	-19.5	0	0	0	112.4	N99 N107	N99-N103 WeakPolarHBondContact O-CB 3.48Å; N99-N103 PolarHBondContact O-N 2.91Å; N99-N103 PolarHBondContact O-ND2 2.9Å; N103-N107 WeakPolarHBondContact O-CB 3.47Å; N103-N107 PolarHBondContact O-N 2.76Å
104	F	97.5	Very high	97.7	Very high	11 Å²	11	68.3 Å²	68.3	5%	0.048	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-50.9	174.8	-177.3	-68	0	0	0	110.7	F52 F55 R93 M96 E100 V101 I102 N107 A108	F52-F104 AromaticContact CD1-CD2 3.79Å; F52-F104 HydrophobicContact CD1-CD2 3.79Å; F52-F104 AromaticContact CD1-CE2 3.94Å; F52-F104 HydrophobicContact CD1-CE2 3.94Å; F52-F104 AromaticContact CE1-CD2 3.49Å; F52-F104 HydrophobicContact CE1-CD2 3.49Å; F52-F104 VanDerWaalsContact CE1-CD2 3.49Å; F52-F104 HydrophobicContact CE1-CE2 4.08Å; F52-F104 HydrophobicContact CG-CD2 4.45Å; F52-F104 HydrophobicContact CG-CE2 4.23Å; F52-F104 AromaticContact CZ-CD2 3.92Å; F52-F104 HydrophobicContact CZ-CD2 3.92Å; F52-F104 HydrophobicContact CZ-CE2 4.47Å; F55-F104 AromaticContact CD2-CE1 3.77Å; F55-F104 HydrophobicContact CD2-CE1 3.77Å; F55-F104 HydrophobicContact CD2-CE2 4.28Å; F55-F104 AromaticContact CD2-CZ 3.44Å; F55-F104 HydrophobicContact CD2-CZ 3.44Å; F55-F104 VanDerWaalsContact CD2-CZ 3.44Å; F55-F104 AromaticContact CE2-CE1 3.41Å; F55-F104 HydrophobicContact CE2-CE1 3.41Å; F55-F104 VanDerWaalsContact CE2-CE1 3.41Å; F55-F104 AromaticContact CE2-CZ 3.4Å; F55-F104 HydrophobicContact CE2-CZ 3.4Å; F55-F104 HydrophobicContact CZ-CE1 4.36Å; R93-F104 VanDerWaalsContact NH2-CZ 3.26Å; M96-F104 HydrophobicContact CE-CD2 3.57Å; M96-F104 HydrophobicContact CE-CE2 3.97Å; M96-F104 HydrophobicContact CE-CG 4.29Å; M96-F104 HydrophobicContact SD-CD2 4.44Å; E100-F104 VanDerWaalsContact O-CB 3.28Å; E100-F104 WeakPolarHBondContact O-CB 3.47Å; E100-F104 PolarHBondContact O-N 3.28Å; V101-F104 PolarHBondContact O-N 2.86Å; I102-F104 VanDerWaalsContact C-N 3.3Å; I102-F104 PolarHBondContact O-N 2.95Å; F104-N107 PolarHBondContact O-N 3.36Å; F104-A108 HydrophobicContact CD1-CB 4.31Å; F104-A108 HydrophobicContact CE1-CB 4.09Å; F104-A108 WeakPolarHBondContact O-CB 3.36Å; F104-A108 PolarHBondContact O-N 3.44Å
105	L	98	Very high	97.9	Very high	44 Å²	44	64.2 Å²	64.2	23%	0.23	33%	0.327	C	S	.	.	H	α-helix	trans	-67.6	-37.1	-174.9	-69.3	175.3	0	0	0	111.6	V101 I102 A108 R109 I165	V101-L105 HydrophobicContact CG1-CD1 4.02Å; V101-L105 HydrophobicContact CG1-CG 4.49Å; V101-L105 WeakPolarHBondContact O-CG 3.46Å; V101-L105 PolarHBondContact O-N 3.05Å; I102-L105 PolarHBondContact O-N 3.42Å; I102-L105 VanDerWaalsContact O-N 3.08Å; L105-A108 PolarHBondContact O-N 3.11Å; L105-R109 WeakPolarHBondContact O-CB 3.31Å; L105-R109 WeakPolarHBondContact O-CG 3.38Å; L105-R109 PolarHBondContact O-N 3.41Å; L105-I165 HydrophobicContact CD2-CG2 3.79Å
106	D	98.4	Very high	98	Very high	77 Å²	77	61.6 Å²	61.6	41%	0.412	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-47.4	171.6	-79.8	-32.9	0	0	0	111.4	I102 A108 R109 R110	I102-D106 PolarHBondContact O-N 3.28Å; D106-A108 PolarHBondContact O-N 3.42Å; D106-R109 PolarHBondContact O-N 2.83Å; D106-R109 IonicContact OD1-CZ 2.92Å; D106-R109 IonicContact OD1-NE 3.63Å; D106-R109 IonicContact OD1-NH2 2.81Å; D106-R109 PolarHBondContact OD1-NH2 3.33Å; D106-R110 WeakPolarHBondContact O-CB 3.5Å; D106-R110 PolarHBondContact O-N 2.85Å
107	N	98.4	Very high	98	Very high	65 Å²	65	63.4 Å²	63.4	35%	0.348	32%	0.322	S	S	.	.	H	α-helix	trans	-62.9	-43.8	177.9	-173.5	52.7	0	0	0	111.9	N103 F104 R110 I111	N103-N107 WeakPolarHBondContact O-CB 3.47Å; N103-N107 PolarHBondContact O-N 2.76Å; F104-N107 PolarHBondContact O-N 3.36Å; N107-R110 PolarHBondContact O-N 3.29Å; N107-R110 PolarHBondContact OD1-NE 3.2Å; N107-R110 PolarHBondContact OD1-NH2 2.91Å; N107-I111 WeakPolarHBondContact O-CD1 3.5Å; N107-I111 VanDerWaalsContact O-CG1 3.27Å; N107-I111 WeakPolarHBondContact O-CG1 3.27Å; N107-I111 PolarHBondContact O-N 2.83Å
108	A	98.6	Very high	98.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-44.1	176.9	0	0	0	0	0	112.1	F55 F104 L105 D106 I111 L112 I165	F55-A108 HydrophobicContact CD1-CB 4.18Å; F55-A108 HydrophobicContact CD2-CB 4.37Å; F55-A108 HydrophobicContact CE1-CB 3.63Å; F55-A108 HydrophobicContact CE2-CB 3.84Å; F55-A108 HydrophobicContact CZ-CB 3.44Å; F55-A108 VanDerWaalsContact CZ-CB 3.44Å; F104-A108 HydrophobicContact CD1-CB 4.31Å; F104-A108 HydrophobicContact CE1-CB 4.09Å; F104-A108 WeakPolarHBondContact O-CB 3.36Å; F104-A108 PolarHBondContact O-N 3.44Å; L105-A108 PolarHBondContact O-N 3.11Å; D106-A108 PolarHBondContact O-N 3.42Å; A108-I111 PolarHBondContact O-N 3.43Å; A108-L112 WeakPolarHBondContact O-CG 3.46Å; A108-L112 PolarHBondContact O-N 2.98Å; A108-I165 HydrophobicContact CB-CB 4.32Å; A108-I165 HydrophobicContact CB-CG2 3.52Å
109	R	98.7	Very high	98.1	Very high	89 Å²	89	52.2 Å²	52.2	34%	0.336	27%	0.271	S	S	.	.	H	α-helix	trans	-59.8	-47.1	174.2	-78.9	-172.8	-67.6	-93.7	5.6	111.6	L105 D106 I111 L112 C113 G164 I165	L105-R109 WeakPolarHBondContact O-CB 3.31Å; L105-R109 WeakPolarHBondContact O-CG 3.38Å; L105-R109 PolarHBondContact O-N 3.41Å; D106-R109 PolarHBondContact O-N 2.83Å; D106-R109 IonicContact OD1-CZ 2.92Å; D106-R109 IonicContact OD1-NE 3.63Å; D106-R109 IonicContact OD1-NH2 2.81Å; D106-R109 PolarHBondContact OD1-NH2 3.33Å; R109-I111 PolarHBondContact O-N 3.39Å; R109-L112 PolarHBondContact O-N 2.92Å; R109-C113 WeakPolarHBondContact O-CB 3.41Å; R109-C113 PolarHBondContact O-N 3.4Å; R109-C113 PolarHBondContact O-SG 3.15Å; R109-G164 PolarHBondContact NH1-O 2.95Å; R109-I165 HydrophobicContact CG-CB 4.45Å
110	R	98.7	Very high	98.1	Very high	85 Å²	85	47.7 Å²	47.7	32%	0.321	25%	0.247	S	C	.	.	H	α-helix	trans	-55.1	-51.9	176.9	-179	-169.9	62.4	75.6	3.1	110.9	D59 D106 N107 L112 C113 E114	D59-R110 IonicContact OD1-CZ 2.69Å; D59-R110 IonicContact OD1-NH1 2.89Å; D59-R110 PolarHBondContact OD1-NH1 3.04Å; D59-R110 IonicContact OD1-NH2 3.8Å; D59-R110 PolarHBondContact OD1-NH2 3.28Å; D106-R110 WeakPolarHBondContact O-CB 3.5Å; D106-R110 PolarHBondContact O-N 2.85Å; N107-R110 PolarHBondContact O-N 3.29Å; N107-R110 PolarHBondContact OD1-NE 3.2Å; N107-R110 PolarHBondContact OD1-NH2 2.91Å; R110-L112 PolarHBondContact O-N 2.99Å; R110-C113 PolarHBondContact O-N 2.85Å; R110-E114 WeakPolarHBondContact CG-OE1 3.41Å; R110-E114 IonicContact CZ-OE1 3.43Å; R110-E114 IonicContact NH1-OE1 2.72Å; R110-E114 PolarHBondContact NH1-OE1 3.18Å; R110-E114 IonicContact NH1-OE2 2.88Å; R110-E114 PolarHBondContact NH1-OE2 3.35Å; R110-E114 WeakPolarHBondContact O-CG 3.43Å; R110-E114 PolarHBondContact O-N 3.38Å
111	I	98.9	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-42.7	-178.8	-66.5	161.1	0	0	0	111.4	F55 L58 D59 N107 A108 R109 E114 L115	F55-I111 HydrophobicContact CB-CD1 3.84Å; F55-I111 HydrophobicContact CD1-CD1 3.95Å; F55-I111 HydrophobicContact CD1-CG2 4.47Å; F55-I111 HydrophobicContact CG-CD1 4.28Å; L58-I111 HydrophobicContact CB-CG2 4.32Å; L58-I111 HydrophobicContact CD2-CG2 3.81Å; L58-I111 HydrophobicContact CG-CG2 3.81Å; D59-I111 HydrophobicContact CB-CD1 3.87Å; D59-I111 HydrophobicContact CB-CG1 3.94Å; N107-I111 WeakPolarHBondContact O-CD1 3.5Å; N107-I111 VanDerWaalsContact O-CG1 3.27Å; N107-I111 WeakPolarHBondContact O-CG1 3.27Å; N107-I111 PolarHBondContact O-N 2.83Å; A108-I111 PolarHBondContact O-N 3.43Å; R109-I111 PolarHBondContact O-N 3.39Å; I111-E114 PolarHBondContact O-N 2.73Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 PolarHBondContact O-N 2.63Å
112	L	98.8	Very high	98.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-34.9	178.2	-66.6	-166.2	0	0	0	112.8	L58 A108 R109 R110 L115 E116 L137 A140 I165	L58-L112 HydrophobicContact CD2-CD2 4.16Å; A108-L112 WeakPolarHBondContact O-CG 3.46Å; A108-L112 PolarHBondContact O-N 2.98Å; R109-L112 PolarHBondContact O-N 2.92Å; R110-L112 PolarHBondContact O-N 2.99Å; L112-L115 HydrophobicContact CD2-CD2 4.36Å; L112-E116 WeakPolarHBondContact O-CB 3.27Å; L112-E116 PolarHBondContact O-N 3.46Å; L112-L137 HydrophobicContact CD2-CD1 3.48Å; L112-L137 VanDerWaalsContact CD2-CD1 3.48Å; L112-A140 HydrophobicContact CB-CB 3.99Å; L112-A140 HydrophobicContact CD1-CB 4.37Å; L112-A140 HydrophobicContact CD2-CB 4.29Å; L112-A140 HydrophobicContact CG-CB 4.44Å; L112-I165 HydrophobicContact CD1-CB 4.19Å; L112-I165 HydrophobicContact CD1-CD1 3.85Å; L112-I165 HydrophobicContact CD1-CG1 4.02Å
113	C	98.5	Very high	98.3	Very high	65 Å²	65	37.2 Å²	37.2	44%	0.439	19%	0.194	S	C	.	.	H	α-helix	trans	-66	-39.4	171	-68.4	0	0	0	0	111.6	R109 R110 E116 S117	R109-C113 WeakPolarHBondContact O-CB 3.41Å; R109-C113 PolarHBondContact O-N 3.4Å; R109-C113 PolarHBondContact O-SG 3.15Å; R110-C113 PolarHBondContact O-N 2.85Å; C113-E116 PolarHBondContact O-N 3.02Å; C113-S117 VanDerWaalsContact O-CB 3.26Å; C113-S117 WeakPolarHBondContact O-CB 3.42Å; C113-S117 PolarHBondContact O-N 3.41Å; C113-S117 PolarHBondContact O-OG 3.19Å
114	E	98.8	Very high	98.4	Very high	58 Å²	58	32.2 Å²	32.2	27%	0.271	17%	0.167	S	C	.	.	H	α-helix	trans	-65	-41.9	175.6	-74.2	174	-168.4	0	0	111.6	V62 R110 I111 S117 L118	V62-E114 HydrophobicContact CG1-CB 3.82Å; R110-E114 WeakPolarHBondContact CG-OE1 3.41Å; R110-E114 IonicContact CZ-OE1 3.43Å; R110-E114 IonicContact NH1-OE1 2.72Å; R110-E114 PolarHBondContact NH1-OE1 3.18Å; R110-E114 IonicContact NH1-OE2 2.88Å; R110-E114 PolarHBondContact NH1-OE2 3.35Å; R110-E114 WeakPolarHBondContact O-CG 3.43Å; R110-E114 PolarHBondContact O-N 3.38Å; I111-E114 PolarHBondContact O-N 2.73Å; E114-S117 WeakPolarHBondContact CA-OG 3.48Å; E114-S117 PolarHBondContact O-N 2.82Å; E114-S117 PolarHBondContact O-OG 2.97Å; E114-L118 PolarHBondContact O-N 3.47Å
115	L	98.8	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.9	-51.1	173	179.7	70.3	0	0	0	111.1	V62 L76 I111 L112 S117 L118 V122 L137 A140	V62-L115 HydrophobicContact CG2-CB 3.94Å; V62-L115 HydrophobicContact CG2-CD1 3.74Å; V62-L115 HydrophobicContact CG2-CG 4.45Å; L76-L115 HydrophobicContact CD1-CD1 4.13Å; L76-L115 HydrophobicContact CD2-CD2 3.92Å; I111-L115 WeakPolarHBondContact O-CB 3.39Å; I111-L115 PolarHBondContact O-N 2.63Å; L112-L115 HydrophobicContact CD2-CD2 4.36Å; L115-S117 VanDerWaalsContact C-N 3.26Å; L115-S117 PolarHBondContact O-N 3.13Å; L115-L118 HydrophobicContact CD1-CD1 4.04Å; L115-L118 WeakPolarHBondContact O-CB 3.46Å; L115-L118 WeakPolarHBondContact O-CG 3.38Å; L115-L118 PolarHBondContact O-N 3.03Å; L115-V122 HydrophobicContact CD1-CG1 3.89Å; L115-V122 HydrophobicContact CG-CG1 4.07Å; L115-V122 WeakPolarHBondContact O-CG2 3.4Å; L115-L137 HydrophobicContact CD2-CD1 4.17Å; L115-A140 HydrophobicContact CD2-CB 4.39Å
116	E	98.4	Very high	98.5	Very high	57 Å²	57	29.7 Å²	29.7	27%	0.266	15%	0.154	S	C	.	.	H	α-helix	trans	-57.5	-40.9	177.1	-176.5	170.8	-162.7	0	0	111.2	L112 C113 L118 R170 K237 M241	L112-E116 WeakPolarHBondContact O-CB 3.27Å; L112-E116 PolarHBondContact O-N 3.46Å; C113-E116 PolarHBondContact O-N 3.02Å; E116-L118 VanDerWaalsContact C-N 3.28Å; E116-L118 PolarHBondContact O-N 3.45Å; E116-R170 IonicContact OE1-NE 2.9Å; E116-R170 IonicContact OE2-CZ 3.77Å; E116-R170 VanDerWaalsContact OE2-CZ 3.28Å; E116-R170 IonicContact OE2-NE 2.9Å; E116-R170 PolarHBondContact OE2-NE 3.31Å; E116-R170 IonicContact OE2-NH2 2.75Å; E116-R170 PolarHBondContact OE2-NH2 3.23Å; E116-K237 WeakPolarHBondContact O-CE 3.36Å; E116-K237 PolarHBondContact O-NZ 2.89Å; E116-M241 HydrophobicContact CG-SD 4.32Å
117	S	98.1	Very high	98.5	Very high	61 Å²	61	26.7 Å²	26.7	43%	0.427	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.2	-177.5	77.4	0	0	0	0	115.9	C113 E114 L115	C113-S117 VanDerWaalsContact O-CB 3.26Å; C113-S117 WeakPolarHBondContact O-CB 3.42Å; C113-S117 PolarHBondContact O-N 3.41Å; C113-S117 PolarHBondContact O-OG 3.19Å; E114-S117 WeakPolarHBondContact CA-OG 3.48Å; E114-S117 PolarHBondContact O-N 2.82Å; E114-S117 PolarHBondContact O-OG 2.97Å; L115-S117 VanDerWaalsContact C-N 3.26Å; L115-S117 PolarHBondContact O-N 3.13Å
118	L	98.7	Very high	98.5	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	12%	0.123	C	C	.	.			trans	-53.6	136.2	176.7	-77	177.3	0	0	0	110.6	V62 A65 A66 V74 E114 L115 E116 M120 V122 K237	V62-L118 HydrophobicContact CG1-CD2 4.22Å; V62-L118 HydrophobicContact CG1-CG 4.37Å; A65-L118 HydrophobicContact CB-CD1 4.11Å; A65-L118 HydrophobicContact CB-CD2 4.21Å; A66-L118 HydrophobicContact CB-CD2 3.71Å; V74-L118 HydrophobicContact CG2-CD1 4.09Å; E114-L118 PolarHBondContact O-N 3.47Å; L115-L118 HydrophobicContact CD1-CD1 4.04Å; L115-L118 WeakPolarHBondContact O-CB 3.46Å; L115-L118 WeakPolarHBondContact O-CG 3.38Å; L115-L118 PolarHBondContact O-N 3.03Å; E116-L118 VanDerWaalsContact C-N 3.28Å; E116-L118 PolarHBondContact O-N 3.45Å; L118-M120 VanDerWaalsContact C-N 3.29Å; L118-M120 HydrophobicContact CB-SD 3.82Å; L118-M120 HydrophobicContact CD1-SD 4.43Å; L118-M120 HydrophobicContact CD2-SD 4.34Å; L118-M120 HydrophobicContact CG-SD 4.44Å; L118-M120 PolarHBondContact O-N 3.43Å; L118-M120 VanDerWaalsContact O-O 3.13Å; L118-V122 HydrophobicContact CB-CG2 3.91Å; L118-V122 HydrophobicContact CD1-CG2 3.91Å; L118-V122 HydrophobicContact CG-CG2 4.49Å; L118-K237 WeakPolarHBondContact O-CD 3.42Å; L118-K237 WeakPolarHBondContact O-CE 3.43Å; L118-K237 PolarHBondContact O-NZ 3.02Å
119	P	97	Very high	98.5	Very high	48 Å²	48	27.3 Å²	27.3	31%	0.312	14%	0.14	S	C	.	.	S	Bend	trans	-68.9	-28.9	-171.7	25.3	-33.6	0	0	0	112.7	R234	P119-R234 HydrophobicContact CB-CG 4.36Å; P119-R234 WeakPolarHBondContact O-CA 3.15Å; P119-R234 WeakPolarHBondContact O-CB 3.29Å; P119-R234 VanDerWaalsContact O-CG 3.28Å; P119-R234 WeakPolarHBondContact O-CG 3.46Å
120	M	97.4	Very high	98.5	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.124	C	C	.	.	S	Bend	trans	-85.9	159.8	174.3	68.3	-67.3	-62.3	0	0	111.5	A65 C71 V74 L118 K237	A65-M120 WeakPolarHBondContact O-CE 3.26Å; C71-M120 HydrophobicContact CB-CE 4.15Å; V74-M120 HydrophobicContact CG2-CG 4.17Å; V74-M120 HydrophobicContact CG2-SD 4.21Å; L118-M120 VanDerWaalsContact C-N 3.29Å; L118-M120 HydrophobicContact CB-SD 3.82Å; L118-M120 HydrophobicContact CD1-SD 4.43Å; L118-M120 HydrophobicContact CD2-SD 4.34Å; L118-M120 HydrophobicContact CG-SD 4.44Å; L118-M120 PolarHBondContact O-N 3.43Å; L118-M120 VanDerWaalsContact O-O 3.13Å; M120-K237 PolarHBondContact O-NZ 3.4Å; M120-K237 VanDerWaalsContact O-NZ 3.1Å
121	P	98.2	Very high	98.5	Very high	13 Å²	13	20.8 Å²	20.8	8%	0.084	12%	0.118	C	C	.	.			trans	-58.4	137.9	172.7	-28.7	39.6	0	0	0	112.7	A73 V74 D142 M225 I233	A73-P121 WeakPolarHBondContact CA-O 3.28Å; V74-P121 PolarHBondContact N-O 3.2Å; P121-D142 WeakPolarHBondContact CA-OD2 3.49Å; P121-M225 HydrophobicContact CB-CE 3.77Å; P121-M225 HydrophobicContact CG-CE 3.57Å; P121-I233 HydrophobicContact CG-CG2 3.48Å; P121-I233 VanDerWaalsContact CG-CG2 3.48Å
122	V	98.9	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.9	177.5	-177.7	0	0	0	0	107.6	V74 L76 L115 L118 C141 D142 I143	V74-V122 HydrophobicContact CB-CG1 4.48Å; V74-V122 HydrophobicContact CB-CG2 4.24Å; V74-V122 HydrophobicContact CG1-CG1 4.07Å; L76-V122 HydrophobicContact CD1-CG1 4.36Å; L115-V122 HydrophobicContact CD1-CG1 3.89Å; L115-V122 HydrophobicContact CG-CG1 4.07Å; L115-V122 WeakPolarHBondContact O-CG2 3.4Å; L118-V122 HydrophobicContact CB-CG2 3.91Å; L118-V122 HydrophobicContact CD1-CG2 3.91Å; L118-V122 HydrophobicContact CG-CG2 4.49Å; V122-C141 HydrophobicContact CG1-CB 4.02Å; V122-D142 PolarHBondContact N-OD2 3.29Å; V122-D142 WeakPolarHBondContact O-CA 3.33Å; V122-D142 WeakPolarHBondContact O-CB 3.43Å; V122-D142 PolarHBondContact O-N 2.77Å; V122-I143 PolarHBondContact O-N 2.9Å
123	M	98.8	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	153.6	-176.1	-52.7	-178.6	71.5	0	0	110	V74 V75 L76 I143 I145 T218 I221 I222	V74-M123 PolarHBondContact O-N 2.94Å; V75-M123 CarbonylContact C-O 3.57Å; V75-M123 VanDerWaalsContact CA-O 3.3Å; V75-M123 WeakPolarHBondContact CA-O 3.18Å; L76-M123 PolarHBondContact N-O 3.06Å; M123-I143 CarbonylContact C-O 3.48Å; M123-I143 WeakPolarHBondContact CA-O 3.45Å; M123-I143 HydrophobicContact CE-CB 4.04Å; M123-I143 HydrophobicContact CE-CD1 4.11Å; M123-I143 HydrophobicContact CE-CG2 3.85Å; M123-I143 HydrophobicContact CG-CB 4.19Å; M123-I143 HydrophobicContact CG-CD1 4.48Å; M123-I145 HydrophobicContact CE-CD1 3.97Å; M123-T218 HydrophobicContact CB-CG2 3.88Å; M123-T218 HydrophobicContact CE-CG2 3.89Å; M123-T218 HydrophobicContact SD-CG2 4.02Å; M123-I221 HydrophobicContact CE-CB 3.76Å; M123-I221 HydrophobicContact CE-CD1 4.12Å; M123-I221 HydrophobicContact CE-CG2 3.46Å; M123-I221 VanDerWaalsContact CE-CG2 3.46Å; M123-I221 HydrophobicContact SD-CG2 4.48Å; M123-I222 HydrophobicContact SD-CD1 4.07Å; M123-I222 HydrophobicContact SD-CG1 3.6Å
124	V	98.9	Very high	98.5	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.3	175.7	61.7	0	0	0	0	111.2	L76 F84 I126 A138 C141 I143 R144 I145	L76-V124 HydrophobicContact CB-CB 4.34Å; L76-V124 HydrophobicContact CB-CG2 4.07Å; L76-V124 WeakPolarHBondContact O-CA 3.37Å; F84-V124 HydrophobicContact CD2-CG2 4.44Å; F84-V124 HydrophobicContact CE1-CG2 4.22Å; F84-V124 HydrophobicContact CE2-CG2 3.44Å; F84-V124 VanDerWaalsContact CE2-CG2 3.44Å; F84-V124 HydrophobicContact CZ-CG2 3.3Å; V124-I126 HydrophobicContact CG1-CD1 4.4Å; V124-I126 HydrophobicContact CG1-CG1 4.36Å; V124-I126 HydrophobicContact CG2-CG1 4.05Å; V124-A138 HydrophobicContact CG1-CB 4.02Å; V124-A138 HydrophobicContact CG2-CB 4.27Å; V124-C141 HydrophobicContact CB-CB 4.06Å; V124-C141 HydrophobicContact CG1-CB 3.81Å; V124-I143 PolarHBondContact N-O 2.77Å; V124-R144 HydrophobicContact CG1-CB 4.03Å; V124-R144 HydrophobicContact CG1-CG 3.44Å; V124-R144 VanDerWaalsContact CG1-CG 3.44Å; V124-I145 PolarHBondContact O-N 2.94Å
125	A	98.9	Very high	98.5	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.008	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	109.4	175.4	0	0	0	0	0	110	L76 K77 D127 A214 Y215	L76-A125 PolarHBondContact O-N 3.42Å; K77-A125 HydrophobicContact CB-CB 4.29Å; A125-D127 PolarHBondContact O-N 3.37Å; A125-A214 HydrophobicContact CB-CB 4.29Å; A125-Y215 HydrophobicContact CB-CD2 4.2Å
126	I	98.9	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	78.2	-176.2	-49.6	173	0	0	0	108.7	F84 V124 G128 A130 A138 I145 A146 A147 V150 M152 V201	F84-I126 HydrophobicContact CB-CG2 4.19Å; F84-I126 HydrophobicContact CG-CG2 4.45Å; V124-I126 HydrophobicContact CG1-CD1 4.4Å; V124-I126 HydrophobicContact CG1-CG1 4.36Å; V124-I126 HydrophobicContact CG2-CG1 4.05Å; I126-G128 VanDerWaalsContact C-N 3.31Å; I126-G128 WeakPolarHBondContact CG2-O 3.27Å; I126-A130 HydrophobicContact CG2-CB 4.03Å; I126-A138 HydrophobicContact CD1-CB 3.93Å; I126-I145 WeakPolarHBondContact CB-O 3.43Å; I126-I145 PolarHBondContact N-O 3.44Å; I126-A146 HydrophobicContact CB-CB 4.21Å; I126-A146 WeakPolarHBondContact O-CA 3.47Å; I126-A147 PolarHBondContact O-N 3.31Å; I126-V150 HydrophobicContact CG2-CG2 4.06Å; I126-V150 WeakPolarHBondContact O-CG1 3.3Å; I126-M152 HydrophobicContact CD1-SD 4.04Å; I126-M152 HydrophobicContact CG2-SD 4.39Å; I126-V201 HydrophobicContact CD1-CG1 4.48Å
127	D	98.7	Very high	98.5	Very high	15 Å²	15	12.9 Å²	12.9	8%	0.08	8%	0.076	C	C	.	.	S	Bend	trans	-87.3	0.1	174.9	-78.3	-64.6	0	0	0	113.6	A125 Q207 D212 A213 A214 Y215	A125-D127 PolarHBondContact O-N 3.37Å; D127-Q207 PolarHBondContact OD1-NE2 2.89Å; D127-D212 VanDerWaalsContact CG-CA 3.44Å; D127-D212 VanDerWaalsContact OD1-C 3.24Å; D127-D212 WeakPolarHBondContact OD1-CA 3.42Å; D127-D212 WeakPolarHBondContact OD2-CA 3.15Å; D127-A213 PolarHBondContact OD1-N 2.93Å; D127-A214 WeakPolarHBondContact OD1-CB 3.46Å; D127-A214 PolarHBondContact OD1-N 2.8Å; D127-A214 WeakPolarHBondContact OD2-CB 3.37Å; D127-A214 PolarHBondContact OD2-N 3Å; D127-Y215 PolarHBondContact OD2-N 3.13Å
128	G	98.6	Very high	98.6	Very high	2 Å²	2	10 Å²	10	2%	0.021	6%	0.056	C	C	.	.	S	Bend	trans	-145.8	172.9	177.4	0	0	0	0	0	112.6	G82 F84 I126 A130	G82-G128 CarbonylContact O-C 3.45Å; G82-G128 VanDerWaalsContact O-CA 3.28Å; G82-G128 WeakPolarHBondContact O-CA 3.44Å; F84-G128 WeakPolarHBondContact CB-O 3.43Å; F84-G128 VanDerWaalsContact N-C 3.29Å; I126-G128 VanDerWaalsContact C-N 3.31Å; I126-G128 WeakPolarHBondContact CG2-O 3.27Å; G128-A130 PolarHBondContact O-N 3.31Å
129	H	98.8	Very high	98.6	Very high	75 Å²	75	10.3 Å²	10.3	35%	0.347	6%	0.057	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	134	-177.7	-59.1	-22.1	0	0	0	112.5	G82 F84 C85 L131 R151	G82-H129 PolarHBondContact O-N 3.44Å; F84-H129 WeakPolarHBondContact CA-O 3.44Å; F84-H129 WeakPolarHBondContact CB-O 3.39Å; F84-H129 PolarHBondContact N-O 3.03Å; C85-H129 PolarHBondContact N-O 3.01Å; C85-H129 VanDerWaalsContact N-O 3.08Å; H129-L131 HydrophobicContact CB-CG 4.39Å; H129-R151 WeakPolarHBondContact CA-O 3.23Å; H129-R151 PolarHBondContact ND1-N 3.07Å
130	A	98.9	Very high	98.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	102	176.7	0	0	0	0	0	109.2	F84 C85 I126 G128 R151 M152 G153	F84-A130 HydrophobicContact CB-CB 4.17Å; F84-A130 HydrophobicContact CD1-CB 3.67Å; F84-A130 HydrophobicContact CG-CB 4.3Å; C85-A130 WeakPolarHBondContact O-CA 3.31Å; I126-A130 HydrophobicContact CG2-CB 4.03Å; G128-A130 PolarHBondContact O-N 3.31Å; A130-R151 PolarHBondContact N-O 2.96Å; A130-M152 HydrophobicContact CB-CG 4.22Å; A130-M152 VanDerWaalsContact O-CA 3.3Å; A130-M152 WeakPolarHBondContact O-CA 3.45Å; A130-G153 PolarHBondContact O-N 3.24Å
131	L	98.7	Very high	98.7	Very high	38 Å²	38	8.2 Å²	8.2	20%	0.199	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.7	-169.6	-58.8	178	0	0	0	111.1	C85 A86 G87 H129 G133 G134 G153 I155 T189	C85-L131 PolarHBondContact O-N 3.06Å; A86-L131 CarbonylContact C-O 3.59Å; G87-L131 WeakPolarHBondContact CA-O 3.3Å; G87-L131 PolarHBondContact N-O 3.07Å; G87-L131 VanDerWaalsContact N-O 3.08Å; H129-L131 HydrophobicContact CB-CG 4.39Å; L131-G133 PolarHBondContact O-N 2.78Å; L131-G134 WeakPolarHBondContact O-CA 3.31Å; L131-G134 PolarHBondContact O-N 2.8Å; L131-G153 CarbonylContact C-O 3.55Å; L131-I155 HydrophobicContact CB-CD1 4.08Å; L131-I155 HydrophobicContact CB-CG1 4.5Å; L131-I155 HydrophobicContact CD1-CD1 4.44Å; L131-T189 HydrophobicContact CD2-CG2 3.72Å
132	G	98.5	Very high	98.8	Very high	3 Å²	3	10.2 Å²	10.2	3%	0.031	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	-127.7	-178.7	0	0	0	0	0	112.6	G134 L135 E136 G153 E156	G132-G134 PolarHBondContact O-N 3.05Å; G132-L135 WeakPolarHBondContact O-CA 3.47Å; G132-L135 WeakPolarHBondContact O-CB 3.36Å; G132-L135 PolarHBondContact O-N 2.92Å; G132-E136 PolarHBondContact O-N 2.81Å; G132-E136 VanDerWaalsContact O-N 3.12Å; G132-G153 PolarHBondContact N-O 3.13Å; G132-E156 WeakPolarHBondContact CA-OE1 3.38Å; G132-E156 WeakPolarHBondContact CA-OE2 3.43Å
133	G	98.4	Very high	98.8	Very high	3 Å²	3	12 Å²	12	3%	0.031	6%	0.063	C	C	.	.	H	α-helix	trans	-52.5	-25.4	174.6	0	0	0	0	0	114.8	L50 L131 L135 E136 L137 E156	L50-G133 WeakPolarHBondContact CD1-O 3.41Å; L131-G133 PolarHBondContact O-N 2.78Å; G133-L135 VanDerWaalsContact C-N 3.31Å; G133-L135 PolarHBondContact O-N 3.18Å; G133-E136 WeakPolarHBondContact CA-OE2 3.11Å; G133-E136 WeakPolarHBondContact O-CB 3.09Å; G133-E136 PolarHBondContact O-N 2.73Å; G133-E136 VanDerWaalsContact O-N 3.13Å; G133-L137 PolarHBondContact O-N 3.37Å; G133-E156 PolarHBondContact N-OE1 2.98Å
134	G	98.6	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-34.7	172	0	0	0	0	0	113.2	F84 C85 L131 G132 A138	F84-G134 WeakPolarHBondContact CE1-O 3.26Å; C85-G134 WeakPolarHBondContact SG-CA 3.37Å; L131-G134 WeakPolarHBondContact O-CA 3.31Å; L131-G134 PolarHBondContact O-N 2.8Å; G132-G134 PolarHBondContact O-N 3.05Å; G134-A138 PolarHBondContact O-N 3.1Å
135	L	98.9	Very high	98.8	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.016	7%	0.066	C	C	.	.	H	α-helix	trans	-74.2	-35.1	168.5	-176.5	59.1	0	0	0	111.5	G132 G133 L137 A138 L139 M152 L154 L200	G132-L135 WeakPolarHBondContact O-CA 3.47Å; G132-L135 WeakPolarHBondContact O-CB 3.36Å; G132-L135 PolarHBondContact O-N 2.92Å; G133-L135 VanDerWaalsContact C-N 3.31Å; G133-L135 PolarHBondContact O-N 3.18Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 2.73Å; L135-A138 HydrophobicContact CD1-CB 4.42Å; L135-A138 PolarHBondContact O-N 2.79Å; L135-A138 VanDerWaalsContact O-N 3.16Å; L135-L139 HydrophobicContact CD1-CG 4.49Å; L135-L139 HydrophobicContact CG-CD1 4.2Å; L135-L139 HydrophobicContact CG-CG 4.32Å; L135-L139 WeakPolarHBondContact O-CB 3.39Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.28Å; L135-L139 PolarHBondContact O-N 2.84Å; L135-M152 HydrophobicContact CD1-CB 4.24Å; L135-M152 HydrophobicContact CD1-CG 4.46Å; L135-M152 HydrophobicContact CD2-CB 4.35Å; L135-L154 HydrophobicContact CB-CD2 4.11Å; L135-L154 HydrophobicContact CD2-CD2 4.2Å; L135-L154 HydrophobicContact CD2-CG 4.09Å; L135-L154 HydrophobicContact CG-CD2 4.31Å; L135-L200 HydrophobicContact CD1-CD1 4.31Å; L135-L200 HydrophobicContact CD2-CD2 4.41Å
136	E	98.8	Very high	98.8	Very high	5 Å²	5	12.6 Å²	12.6	2%	0.023	7%	0.065	C	C	.	.	H	α-helix	trans	-61.6	-37.2	174.5	-57.8	-174.5	84.6	0	0	112.4	G132 G133 L139 A140 L154 P163 G164 I165 G166 G167	G132-E136 PolarHBondContact O-N 2.81Å; G132-E136 VanDerWaalsContact O-N 3.12Å; G133-E136 WeakPolarHBondContact CA-OE2 3.11Å; G133-E136 WeakPolarHBondContact O-CB 3.09Å; G133-E136 PolarHBondContact O-N 2.73Å; G133-E136 VanDerWaalsContact O-N 3.13Å; E136-L139 PolarHBondContact O-N 2.76Å; E136-A140 PolarHBondContact O-N 3.3Å; E136-L154 HydrophobicContact CG-CD2 3.57Å; E136-P163 HydrophobicContact CG-CB 4.4Å; E136-G164 PolarHBondContact OE1-N 3.41Å; E136-G164 PolarHBondContact OE2-N 2.67Å; E136-I165 HydrophobicContact CB-CD1 4.01Å; E136-I165 HydrophobicContact CB-CG1 3.58Å; E136-I165 HydrophobicContact CG-CG1 4.04Å; E136-I165 VanDerWaalsContact OE1-C 3.27Å; E136-I165 WeakPolarHBondContact OE1-CA 3.42Å; E136-I165 PolarHBondContact OE1-N 3.23Å; E136-I165 VanDerWaalsContact OE2-CG1 3.25Å; E136-I165 WeakPolarHBondContact OE2-CG1 3.45Å; E136-G166 PolarHBondContact OE1-N 2.8Å; E136-G167 WeakPolarHBondContact OE1-CA 3.39Å; E136-G167 PolarHBondContact OE1-N 3.48Å
137	L	98.9	Very high	98.8	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.6	-47.3	170.9	174.9	62.8	0	0	0	111.4	M41 L50 L58 L76 F84 L112 L115 G133 L135 L139 A140	M41-L137 HydrophobicContact CE-CD2 4.42Å; M41-L137 HydrophobicContact SD-CD2 4.02Å; L50-L137 HydrophobicContact CD2-CD2 4.44Å; L58-L137 HydrophobicContact CD2-CD1 3.8Å; L76-L137 HydrophobicContact CD2-CD1 3.68Å; L76-L137 HydrophobicContact CD2-CD2 4.3Å; L76-L137 HydrophobicContact CD2-CG 4Å; F84-L137 HydrophobicContact CE1-CD2 4.26Å; F84-L137 HydrophobicContact CZ-CD2 4.25Å; L112-L137 HydrophobicContact CD2-CD1 3.48Å; L112-L137 VanDerWaalsContact CD2-CD1 3.48Å; L115-L137 HydrophobicContact CD2-CD1 4.17Å; G133-L137 PolarHBondContact O-N 3.37Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 2.73Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.95Å; L137-A140 PolarHBondContact O-N 2.78Å
138	A	98.9	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.7	-36.4	177.3	0	0	0	0	0	112.5	F84 V124 I126 G134 L135 A140 C141 R144	F84-A138 HydrophobicContact CE1-CB 4.21Å; V124-A138 HydrophobicContact CG1-CB 4.02Å; V124-A138 HydrophobicContact CG2-CB 4.27Å; I126-A138 HydrophobicContact CD1-CB 3.93Å; G134-A138 PolarHBondContact O-N 3.1Å; L135-A138 HydrophobicContact CD1-CB 4.42Å; L135-A138 PolarHBondContact O-N 2.79Å; L135-A138 VanDerWaalsContact O-N 3.16Å; A138-A140 PolarHBondContact O-N 3.42Å; A138-C141 WeakPolarHBondContact O-CB 3.49Å; A138-C141 PolarHBondContact O-N 3.23Å; A138-C141 VanDerWaalsContact O-N 3.14Å; A138-R144 WeakPolarHBondContact O-CD 3.34Å; A138-R144 WeakPolarHBondContact O-CG 3.33Å
139	L	98.9	Very high	98.6	Very high	9 Å²	9	18 Å²	18	5%	0.047	9%	0.093	C	C	.	.	H	α-helix	trans	-65.7	-23.1	176.7	-75.5	170.2	0	0	0	113.3	L135 E136 L137 C141 R170 L171 L174 L200	L135-L139 HydrophobicContact CD1-CG 4.49Å; L135-L139 HydrophobicContact CG-CD1 4.2Å; L135-L139 HydrophobicContact CG-CG 4.32Å; L135-L139 WeakPolarHBondContact O-CB 3.39Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.28Å; L135-L139 PolarHBondContact O-N 2.84Å; E136-L139 PolarHBondContact O-N 2.76Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.95Å; L139-C141 PolarHBondContact O-N 2.77Å; L139-R170 HydrophobicContact CB-CB 4.06Å; L139-R170 WeakPolarHBondContact O-CD 3.22Å; L139-L171 HydrophobicContact CD1-CB 4.05Å; L139-L171 HydrophobicContact CD2-CD1 4.31Å; L139-L174 HydrophobicContact CD2-CD2 3.76Å; L139-L200 HydrophobicContact CD2-CD1 3.75Å
140	A	98.8	Very high	98.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.9	174.4	0	0	0	0	0	113.6	L112 L115 E136 L137 A138	L112-A140 HydrophobicContact CB-CB 3.99Å; L112-A140 HydrophobicContact CD1-CB 4.37Å; L112-A140 HydrophobicContact CD2-CB 4.29Å; L112-A140 HydrophobicContact CG-CB 4.44Å; L115-A140 HydrophobicContact CD2-CB 4.39Å; E136-A140 PolarHBondContact O-N 3.3Å; L137-A140 PolarHBondContact O-N 2.78Å; A138-A140 PolarHBondContact O-N 3.42Å
141	C	98.9	Very high	98.6	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.027	10%	0.095	C	C	.	.	S	Bend	trans	-92.5	151.8	175.8	-57	0	0	0	0	110.8	V122 V124 A138 L139 R144	V122-C141 HydrophobicContact CG1-CB 4.02Å; V124-C141 HydrophobicContact CB-CB 4.06Å; V124-C141 HydrophobicContact CG1-CB 3.81Å; A138-C141 WeakPolarHBondContact O-CB 3.49Å; A138-C141 PolarHBondContact O-N 3.23Å; A138-C141 VanDerWaalsContact O-N 3.14Å; L139-C141 PolarHBondContact O-N 2.77Å; C141-R144 PolarHBondContact O-NH1 3.3Å
142	D	98.7	Very high	98.6	Very high	56 Å²	56	17.3 Å²	17.3	30%	0.299	9%	0.086	S	C	.	.	S	Bend	trans	-67.4	-50.5	-178.8	-56.6	-59.4	0	0	0	111.8	P121 V122 R144 K237	P121-D142 WeakPolarHBondContact CA-OD2 3.49Å; V122-D142 PolarHBondContact N-OD2 3.29Å; V122-D142 WeakPolarHBondContact O-CA 3.33Å; V122-D142 WeakPolarHBondContact O-CB 3.43Å; V122-D142 PolarHBondContact O-N 2.77Å; D142-R144 PolarHBondContact O-NH1 3.33Å; D142-K237 VanDerWaalsContact OD1-CE 3.26Å; D142-K237 WeakPolarHBondContact OD1-CE 3.15Å; D142-K237 IonicContact OD1-NZ 3.51Å; D142-K237 PolarHBondContact OD1-NZ 2.95Å; D142-K237 WeakPolarHBondContact OD2-CE 3.32Å; D142-K237 IonicContact OD2-NZ 3.48Å; D142-K237 PolarHBondContact OD2-NZ 2.81Å
143	I	98.8	Very high	98.6	Very high	37 Å²	37	17.4 Å²	17.4	19%	0.19	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.5	-174.5	-59.6	162.7	0	0	0	110.1	V122 M123 V124 I145 N202 M225	V122-I143 PolarHBondContact O-N 2.9Å; M123-I143 CarbonylContact C-O 3.48Å; M123-I143 WeakPolarHBondContact CA-O 3.45Å; M123-I143 HydrophobicContact CE-CB 4.04Å; M123-I143 HydrophobicContact CE-CD1 4.11Å; M123-I143 HydrophobicContact CE-CG2 3.85Å; M123-I143 HydrophobicContact CG-CB 4.19Å; M123-I143 HydrophobicContact CG-CD1 4.48Å; V124-I143 PolarHBondContact N-O 2.77Å; I143-I145 HydrophobicContact CG2-CD1 3.76Å; I143-N202 WeakPolarHBondContact CA-OD1 3.47Å; I143-N202 HydrophobicContact CG2-CB 4.08Å; I143-M225 HydrophobicContact CD1-SD 4.44Å
144	R	98.9	Very high	98.6	Very high	13 Å²	13	17.3 Å²	17.3	5%	0.049	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.4	-177.7	-67.9	164	-62.1	-66.7	-9.1	110.6	V124 A138 C141 D142 L174 L200 V201 N202 Y203	V124-R144 HydrophobicContact CG1-CB 4.03Å; V124-R144 HydrophobicContact CG1-CG 3.44Å; V124-R144 VanDerWaalsContact CG1-CG 3.44Å; A138-R144 WeakPolarHBondContact O-CD 3.34Å; A138-R144 WeakPolarHBondContact O-CG 3.33Å; C141-R144 PolarHBondContact O-NH1 3.3Å; D142-R144 PolarHBondContact O-NH1 3.33Å; R144-L174 VanDerWaalsContact NH2-CD1 3.27Å; R144-L174 VanDerWaalsContact NH2-CD2 3.3Å; R144-L200 WeakPolarHBondContact CD-O 3.18Å; R144-L200 PolarHBondContact NE-O 2.79Å; R144-V201 HydrophobicContact CB-CB 4.17Å; R144-V201 HydrophobicContact CB-CG1 4.02Å; R144-N202 PolarHBondContact N-OD1 3.04Å; R144-N202 WeakPolarHBondContact O-CB 3.49Å; R144-N202 PolarHBondContact O-N 3.31Å; R144-Y203 PolarHBondContact O-N 2.78Å
145	I	98.9	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.8	175.6	-57.7	80.2	0	0	0	107.6	M123 V124 I126 I143 Y203 V205 A214 R217 T218 I221	M123-I145 HydrophobicContact CE-CD1 3.97Å; V124-I145 PolarHBondContact O-N 2.94Å; I126-I145 WeakPolarHBondContact CB-O 3.43Å; I126-I145 PolarHBondContact N-O 3.44Å; I143-I145 HydrophobicContact CG2-CD1 3.76Å; I145-Y203 HydrophobicContact CG1-CD2 4.14Å; I145-V205 HydrophobicContact CG2-CG1 4.3Å; I145-V205 HydrophobicContact CG2-CG2 4.25Å; I145-A214 HydrophobicContact CB-CB 4.24Å; I145-A214 HydrophobicContact CG2-CB 3.76Å; I145-R217 HydrophobicContact CG1-CG 4.5Å; I145-R217 HydrophobicContact CG2-CB 4.03Å; I145-R217 HydrophobicContact CG2-CG 4.04Å; I145-T218 WeakPolarHBondContact CD1-OG1 3.39Å; I145-I221 HydrophobicContact CD1-CD1 4Å; I145-I221 HydrophobicContact CG1-CD1 3.86Å
146	A	98.9	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.9	179.4	0	0	0	0	0	112.3	I126 V150 M152 A192 V201 Y203 A204 V205	I126-A146 HydrophobicContact CB-CB 4.21Å; I126-A146 WeakPolarHBondContact O-CA 3.47Å; A146-V150 HydrophobicContact CB-CG2 3.97Å; A146-M152 HydrophobicContact CB-CE 3.78Å; A146-M152 HydrophobicContact CB-SD 4.1Å; A146-A192 HydrophobicContact CB-CB 3.89Å; A146-V201 HydrophobicContact CB-CB 4.44Å; A146-V201 HydrophobicContact CB-CG1 4.05Å; A146-V201 HydrophobicContact CB-CG2 4.24Å; A146-Y203 PolarHBondContact N-O 3.37Å; A146-A204 CarbonylContact O-C 3.59Å; A146-A204 VanDerWaalsContact O-CA 3.31Å; A146-A204 WeakPolarHBondContact O-CA 3.36Å; A146-V205 PolarHBondContact O-N 2.87Å
147	A	98.7	Very high	98.6	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	145.5	169.5	0	0	0	0	0	111.1	I126 N149 V150 A192 V205 Q207	I126-A147 PolarHBondContact O-N 3.31Å; A147-N149 WeakPolarHBondContact CB-OD1 3.38Å; A147-N149 PolarHBondContact O-N 2.81Å; A147-V150 HydrophobicContact CB-CG1 4.13Å; A147-V150 WeakPolarHBondContact O-CG1 3.32Å; A147-V150 VanDerWaalsContact O-CG2 3.23Å; A147-V150 WeakPolarHBondContact O-CG2 3.36Å; A147-V150 PolarHBondContact O-N 2.74Å; A147-V150 VanDerWaalsContact O-N 3.09Å; A147-A192 WeakPolarHBondContact O-CB 3.48Å; A147-V205 CarbonylContact C-O 3.51Å; A147-V205 WeakPolarHBondContact CA-O 3.29Å; A147-Q207 HydrophobicContact CB-CB 4.18Å; A147-Q207 HydrophobicContact CB-CG 4.39Å
148	N	97.5	Very high	98.5	Very high	60 Å²	60	29.5 Å²	29.5	32%	0.321	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-17	-170.6	71.3	-27.8	0	0	0	115.4	V205 H206 Q207	N148-V205 WeakPolarHBondContact CB-O 3.48Å; N148-V205 PolarHBondContact N-O 2.68Å; N148-H206 PolarHBondContact ND2-ND1 2.91Å; N148-Q207 PolarHBondContact OD1-N 3.37Å
149	N	96.8	Very high	98.3	Very high	70 Å²	70	34.3 Å²	34.3	37%	0.374	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	2.6	178.4	67.8	-37.8	0	0	0	113.9	A147 M211	A147-N149 WeakPolarHBondContact CB-OD1 3.38Å; A147-N149 PolarHBondContact O-N 2.81Å; N149-M211 WeakPolarHBondContact ND2-CE 3.44Å
150	V	98.4	Very high	98.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	20%	0.202	C	C	.	.			trans	-90.8	155.9	-178.5	-46.8	0	0	0	0	112.4	I126 A146 A147 M152	I126-V150 HydrophobicContact CG2-CG2 4.06Å; I126-V150 WeakPolarHBondContact O-CG1 3.3Å; A146-V150 HydrophobicContact CB-CG2 3.97Å; A147-V150 HydrophobicContact CB-CG1 4.13Å; A147-V150 WeakPolarHBondContact O-CG1 3.32Å; A147-V150 VanDerWaalsContact O-CG2 3.23Å; A147-V150 WeakPolarHBondContact O-CG2 3.36Å; A147-V150 PolarHBondContact O-N 2.74Å; A147-V150 VanDerWaalsContact O-N 3.09Å; V150-M152 HydrophobicContact CG2-CE 3.91Å; V150-M152 HydrophobicContact CG2-CG 4.27Å; V150-M152 HydrophobicContact CG2-SD 4.34Å
151	R	98.8	Very high	98	Very high	99 Å²	99	41.1 Å²	41.1	37%	0.374	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	136.7	172.5	-60	-64	-72.7	-170.9	-1.8	108.2	H129 A130 T189 V190	H129-R151 WeakPolarHBondContact CA-O 3.23Å; H129-R151 PolarHBondContact ND1-N 3.07Å; A130-R151 PolarHBondContact N-O 2.96Å; R151-T189 PolarHBondContact NE-OG1 3.07Å; R151-T189 VanDerWaalsContact NE-OG1 3.16Å; R151-T189 PolarHBondContact NH2-O 3.16Å; R151-T189 PolarHBondContact NH2-OG1 2.87Å; R151-T189 VanDerWaalsContact NH2-OG1 3.08Å; R151-V190 WeakPolarHBondContact CA-O 3.4Å
152	M	98.9	Very high	98	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.4	-178.4	-67	170	-78.2	0	0	109.7	I126 A130 L135 A146 V150 T189 V190 A192 A195 L200 V201	I126-M152 HydrophobicContact CD1-SD 4.04Å; I126-M152 HydrophobicContact CG2-SD 4.39Å; A130-M152 HydrophobicContact CB-CG 4.22Å; A130-M152 VanDerWaalsContact O-CA 3.3Å; A130-M152 WeakPolarHBondContact O-CA 3.45Å; L135-M152 HydrophobicContact CD1-CB 4.24Å; L135-M152 HydrophobicContact CD1-CG 4.46Å; L135-M152 HydrophobicContact CD2-CB 4.35Å; A146-M152 HydrophobicContact CB-CE 3.78Å; A146-M152 HydrophobicContact CB-SD 4.1Å; V150-M152 HydrophobicContact CG2-CE 3.91Å; V150-M152 HydrophobicContact CG2-CG 4.27Å; V150-M152 HydrophobicContact CG2-SD 4.34Å; M152-T189 CarbonylContact O-C 3.05Å; M152-T189 WeakPolarHBondContact O-CA 3.43Å; M152-T189 WeakPolarHBondContact O-CB 3.43Å; M152-V190 HydrophobicContact CB-CG2 4.16Å; M152-V190 PolarHBondContact N-O 2.86Å; M152-V190 PolarHBondContact O-N 3.42Å; M152-A192 HydrophobicContact CE-CB 4.31Å; M152-A195 HydrophobicContact CE-CB 3.32Å; M152-A195 HydrophobicContact SD-CB 4.44Å; M152-L200 HydrophobicContact CB-CD2 4.2Å; M152-L200 HydrophobicContact SD-CD2 4.49Å; M152-V201 HydrophobicContact CE-CG1 4.13Å; M152-V201 HydrophobicContact SD-CG1 3.8Å
153	G	98.7	Very high	98	Very high	4 Å²	4	43.8 Å²	43.8	4%	0.041	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	150.1	172.9	0	0	0	0	0	113.4	A130 L131 G132 I155	A130-G153 PolarHBondContact O-N 3.24Å; L131-G153 CarbonylContact C-O 3.55Å; G132-G153 PolarHBondContact N-O 3.13Å; G153-I155 PolarHBondContact O-N 2.8Å
154	L	98.8	Very high	97.9	Very high	2 Å²	2	43 Å²	43	1%	0.01	24%	0.238	C	C	.	.			trans	-86.6	93	169.4	-65.8	179.8	0	0	0	108.1	L135 E136 E156 P163 L171 I184 G187	L135-L154 HydrophobicContact CB-CD2 4.11Å; L135-L154 HydrophobicContact CD2-CD2 4.2Å; L135-L154 HydrophobicContact CD2-CG 4.09Å; L135-L154 HydrophobicContact CG-CD2 4.31Å; E136-L154 HydrophobicContact CG-CD2 3.57Å; L154-E156 WeakPolarHBondContact CA-OE2 3.46Å; L154-P163 HydrophobicContact CB-CG 3.84Å; L154-P163 HydrophobicContact CD1-CB 4.22Å; L154-P163 HydrophobicContact CD1-CG 3.96Å; L154-P163 HydrophobicContact CD2-CB 4.3Å; L154-P163 HydrophobicContact CD2-CG 4.33Å; L154-P163 HydrophobicContact CG-CG 4.25Å; L154-L171 HydrophobicContact CD1-CB 4.26Å; L154-L171 HydrophobicContact CD1-CD2 3.71Å; L154-L171 HydrophobicContact CG-CD2 4.47Å; L154-I184 HydrophobicContact CB-CG1 4.11Å; L154-I184 HydrophobicContact CD1-CD1 3.94Å; L154-I184 HydrophobicContact CD1-CG1 3.69Å; L154-G187 WeakPolarHBondContact O-CA 3.43Å
155	I	98.4	Very high	97.9	Very high	54 Å²	54	42.6 Å²	42.6	28%	0.277	24%	0.237	S	C	.	.			trans	-97.7	0.3	-167.6	65.4	167.2	0	0	0	113.8	L131 G153 T157 K158 T189	L131-I155 HydrophobicContact CB-CD1 4.08Å; L131-I155 HydrophobicContact CB-CG1 4.5Å; L131-I155 HydrophobicContact CD1-CD1 4.44Å; G153-I155 PolarHBondContact O-N 2.8Å; I155-T157 PolarHBondContact O-N 2.86Å; I155-T157 VanDerWaalsContact O-N 3.16Å; I155-K158 WeakPolarHBondContact O-CB 3.43Å; I155-K158 PolarHBondContact O-N 3.02Å; I155-K158 VanDerWaalsContact O-N 3.09Å; I155-T189 HydrophobicContact CG2-CG2 3.99Å
156	E	98.4	Very high	97.9	Very high	19 Å²	19	43.2 Å²	43.2	9%	0.089	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53	-37.5	-171.6	-77.3	83.3	176.1	0	0	113.8	G132 G133 L154 K158 I159 V161 P163	G132-E156 WeakPolarHBondContact CA-OE1 3.38Å; G132-E156 WeakPolarHBondContact CA-OE2 3.43Å; G133-E156 PolarHBondContact N-OE1 2.98Å; L154-E156 WeakPolarHBondContact CA-OE2 3.46Å; E156-K158 PolarHBondContact O-N 3.44Å; E156-K158 VanDerWaalsContact O-N 3.11Å; E156-I159 WeakPolarHBondContact O-CG1 3.47Å; E156-I159 PolarHBondContact O-N 3.09Å; E156-V161 CarbonylContact C-O 3.48Å; E156-V161 HydrophobicContact CB-CG2 3.68Å; E156-V161 HydrophobicContact CG-CG2 3.92Å; E156-V161 PolarHBondContact O-N 3.06Å; E156-P163 HydrophobicContact CB-CG 4.44Å
157	T	98	Very high	97.8	Very high	49 Å²	49	43.2 Å²	43.2	30%	0.301	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-60.1	-25.3	-178	51.8	0	0	0	0	112.7	I155 I159 G160 V161 I184	I155-T157 PolarHBondContact O-N 2.86Å; I155-T157 VanDerWaalsContact O-N 3.16Å; T157-I159 PolarHBondContact O-N 2.98Å; T157-G160 PolarHBondContact O-N 3.47Å; T157-V161 WeakPolarHBondContact CA-O 3.44Å; T157-V161 PolarHBondContact N-O 3.46Å; T157-V161 VanDerWaalsContact N-O 3.14Å; T157-I184 HydrophobicContact CG2-CG2 4.25Å; T157-I184 WeakPolarHBondContact CG2-O 3.4Å; T157-I184 PolarHBondContact OG1-O 3.41Å
158	K	97	Very high	97.8	Very high	141 Å²	141	44.9 Å²	44.9	61%	0.613	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-70.8	-16.6	176.7	-67	-178	167.7	168.7	0	114.3	I155 E156 T186 G187	I155-K158 WeakPolarHBondContact O-CB 3.43Å; I155-K158 PolarHBondContact O-N 3.02Å; I155-K158 VanDerWaalsContact O-N 3.09Å; E156-K158 PolarHBondContact O-N 3.44Å; E156-K158 VanDerWaalsContact O-N 3.11Å; K158-T186 WeakPolarHBondContact CE-O 3.38Å; K158-G187 WeakPolarHBondContact CE-O 3.39Å; K158-G187 PolarHBondContact NZ-O 3.3Å
159	I	95.6	Very high	97.9	Very high	101 Å²	101	46.6 Å²	46.6	52%	0.518	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-115.3	17.5	179.4	63.7	165.5	0	0	0	112.3	L90 E156 T157 V161	L90-I159 HydrophobicContact CD1-CD1 4.24Å; L90-I159 HydrophobicContact CD2-CD1 3.83Å; E156-I159 WeakPolarHBondContact O-CG1 3.47Å; E156-I159 PolarHBondContact O-N 3.09Å; T157-I159 PolarHBondContact O-N 2.98Å; I159-V161 VanDerWaalsContact C-N 3.34Å; I159-V161 HydrophobicContact CD1-CG2 3.97Å; I159-V161 HydrophobicContact CG1-CG2 3.84Å; I159-V161 PolarHBondContact O-N 3.11Å
160	G	95.8	Very high	97.9	Very high	73 Å²	73	44.8 Å²	44.8	75%	0.753	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	16.1	176.9	0	0	0	0	0	114.8	T157	T157-G160 PolarHBondContact O-N 3.47Å
161	V	96.3	Very high	98	Very high	80 Å²	80	44.9 Å²	44.9	49%	0.485	25%	0.247	S	C	.	.			trans	-121	176.8	172	-51.9	0	0	0	0	110.3	E156 T157 I159	E156-V161 CarbonylContact C-O 3.48Å; E156-V161 HydrophobicContact CB-CG2 3.68Å; E156-V161 HydrophobicContact CG-CG2 3.92Å; E156-V161 PolarHBondContact O-N 3.06Å; T157-V161 WeakPolarHBondContact CA-O 3.44Å; T157-V161 PolarHBondContact N-O 3.46Å; T157-V161 VanDerWaalsContact N-O 3.14Å; I159-V161 VanDerWaalsContact C-N 3.34Å; I159-V161 HydrophobicContact CD1-CG2 3.97Å; I159-V161 HydrophobicContact CG1-CG2 3.84Å; I159-V161 PolarHBondContact O-N 3.11Å
162	M	97.4	Very high	97.9	Very high	115 Å²	115	42 Å²	42	57%	0.567	24%	0.241	S	C	*	.			trans	-124.2	160.9	175	60.1	166.8	-83	0	0	110.5	G164 T168	M162-G164 PolarHBondContact O-N 2.93Å; M162-G164 VanDerWaalsContact O-N 3.09Å; M162-T168 HydrophobicContact CE-CG2 3.62Å
163	P	98.4	Very high	97.8	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	27%	0.265	C	S	.	.			trans	-55.1	118.2	171.2	-22.9	34.2	0	0	0	109.8	E136 L154 E156 T168 I184	E136-P163 HydrophobicContact CG-CB 4.4Å; L154-P163 HydrophobicContact CB-CG 3.84Å; L154-P163 HydrophobicContact CD1-CB 4.22Å; L154-P163 HydrophobicContact CD1-CG 3.96Å; L154-P163 HydrophobicContact CD2-CB 4.3Å; L154-P163 HydrophobicContact CD2-CG 4.33Å; L154-P163 HydrophobicContact CG-CG 4.25Å; E156-P163 HydrophobicContact CB-CG 4.44Å; P163-T168 HydrophobicContact CB-CG2 4.13Å; P163-T168 HydrophobicContact CG-CG2 4.27Å; P163-I184 HydrophobicContact CG-CG2 4.24Å
164	G	97.7	Very high	97.8	Very high	20 Å²	20	51.3 Å²	51.3	21%	0.206	28%	0.28	C	S	.	.			trans	-114.8	-9.4	-163.3	0	0	0	0	0	114.6	R109 E136 M162	R109-G164 PolarHBondContact NH1-O 2.95Å; E136-G164 PolarHBondContact OE1-N 3.41Å; E136-G164 PolarHBondContact OE2-N 2.67Å; M162-G164 PolarHBondContact O-N 2.93Å; M162-G164 VanDerWaalsContact O-N 3.09Å
165	I	98.3	Very high	97.8	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	28%	0.282	C	S	.	.	S	Bend	trans	-118.3	17.8	-175.2	63	173.4	0	0	0	112.7	L50 F55 L105 A108 R109 L112 E136 R170	L50-I165 HydrophobicContact CD1-CD1 3.57Å; F55-I165 HydrophobicContact CZ-CD1 4.11Å; L105-I165 HydrophobicContact CD2-CG2 3.79Å; A108-I165 HydrophobicContact CB-CB 4.32Å; A108-I165 HydrophobicContact CB-CG2 3.52Å; R109-I165 HydrophobicContact CG-CB 4.45Å; L112-I165 HydrophobicContact CD1-CB 4.19Å; L112-I165 HydrophobicContact CD1-CD1 3.85Å; L112-I165 HydrophobicContact CD1-CG1 4.02Å; E136-I165 HydrophobicContact CB-CD1 4.01Å; E136-I165 HydrophobicContact CB-CG1 3.58Å; E136-I165 HydrophobicContact CG-CG1 4.04Å; E136-I165 VanDerWaalsContact OE1-C 3.27Å; E136-I165 WeakPolarHBondContact OE1-CA 3.42Å; E136-I165 PolarHBondContact OE1-N 3.23Å; E136-I165 VanDerWaalsContact OE2-CG1 3.25Å; E136-I165 WeakPolarHBondContact OE2-CG1 3.45Å; I165-R170 PolarHBondContact O-NH1 3.08Å
166	G	98.3	Very high	97.8	Very high	13 Å²	13	53.5 Å²	53.5	13%	0.134	29%	0.292	C	S	.	.	S	Bend	trans	127.4	-1.8	166.2	0	0	0	0	0	115.4	E136 T168 Q169 R170	E136-G166 PolarHBondContact OE1-N 2.8Å; G166-T168 PolarHBondContact O-N 3.39Å; G166-Q169 CarbonylContact O-C 3.52Å; G166-Q169 WeakPolarHBondContact O-CA 3.29Å; G166-Q169 PolarHBondContact O-N 3.02Å; G166-R170 PolarHBondContact O-N 3.39Å
167	G	98.6	Very high	97.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-59	-40.7	-177.8	0	0	0	0	0	113.6	E136 Q169 L171	E136-G167 WeakPolarHBondContact OE1-CA 3.39Å; E136-G167 PolarHBondContact OE1-N 3.48Å; G167-Q169 PolarHBondContact O-N 3.32Å; G167-L171 WeakPolarHBondContact O-CB 3.44Å; G167-L171 PolarHBondContact O-N 3.46Å
168	T	98.3	Very high	97.8	Very high	34 Å²	34	57.3 Å²	57.3	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-65.3	-22	174.7	56.5	0	0	0	0	113.4	M162 P163 G166 V172 I184	M162-T168 HydrophobicContact CE-CG2 3.62Å; P163-T168 HydrophobicContact CB-CG2 4.13Å; P163-T168 HydrophobicContact CG-CG2 4.27Å; G166-T168 PolarHBondContact O-N 3.39Å; T168-V172 VanDerWaalsContact O-CG2 3.25Å; T168-V172 WeakPolarHBondContact O-CG2 3.31Å; T168-I184 HydrophobicContact CG2-CD1 4.45Å
169	Q	98.4	Very high	97.9	Very high	97 Å²	97	53 Å²	53	45%	0.453	30%	0.304	S	S	.	.	H	α-helix	trans	-99.7	-46	-175.8	-57.9	-50.7	-47.7	0	0	112.2	G166 G167 R173	G166-Q169 CarbonylContact O-C 3.52Å; G166-Q169 WeakPolarHBondContact O-CA 3.29Å; G166-Q169 PolarHBondContact O-N 3.02Å; G167-Q169 PolarHBondContact O-N 3.32Å; Q169-R173 WeakPolarHBondContact O-CB 3.25Å; Q169-R173 VanDerWaalsContact O-CD 3.31Å; Q169-R173 WeakPolarHBondContact O-CD 3.42Å; Q169-R173 VanDerWaalsContact O-CG 3.25Å; Q169-R173 WeakPolarHBondContact O-CG 3.49Å; Q169-R173 PolarHBondContact O-N 3.18Å; Q169-R173 PolarHBondContact O-NH1 2.77Å
170	R	98.6	Very high	98	Very high	32 Å²	32	48.2 Å²	48.2	12%	0.121	28%	0.28	C	S	.	.	H	α-helix	trans	-76.1	-43.9	-176.9	-65	-169.5	-179.2	93.6	3	111.9	E116 L139 I165 G166 V172 R173 L174	E116-R170 IonicContact OE1-NE 2.9Å; E116-R170 IonicContact OE2-CZ 3.77Å; E116-R170 VanDerWaalsContact OE2-CZ 3.28Å; E116-R170 IonicContact OE2-NE 2.9Å; E116-R170 PolarHBondContact OE2-NE 3.31Å; E116-R170 IonicContact OE2-NH2 2.75Å; E116-R170 PolarHBondContact OE2-NH2 3.23Å; L139-R170 HydrophobicContact CB-CB 4.06Å; L139-R170 WeakPolarHBondContact O-CD 3.22Å; I165-R170 PolarHBondContact O-NH1 3.08Å; G166-R170 PolarHBondContact O-N 3.39Å; R170-V172 PolarHBondContact O-N 3.45Å; R170-R173 PolarHBondContact O-N 2.78Å; R170-L174 VanDerWaalsContact O-CB 3.3Å; R170-L174 WeakPolarHBondContact O-CB 3.45Å; R170-L174 PolarHBondContact O-N 2.9Å
171	L	98.7	Very high	98.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-62.5	-46.3	-179.5	-175.8	60.4	0	0	0	111.6	L139 L154 G167 R173 L174 I175 A180 I184 L200	L139-L171 HydrophobicContact CD1-CB 4.05Å; L139-L171 HydrophobicContact CD2-CD1 4.31Å; L154-L171 HydrophobicContact CD1-CB 4.26Å; L154-L171 HydrophobicContact CD1-CD2 3.71Å; L154-L171 HydrophobicContact CG-CD2 4.47Å; G167-L171 WeakPolarHBondContact O-CB 3.44Å; G167-L171 PolarHBondContact O-N 3.46Å; L171-R173 PolarHBondContact O-N 3.29Å; L171-L174 PolarHBondContact O-N 3.43Å; L171-I175 HydrophobicContact CD1-CD1 3.71Å; L171-I175 HydrophobicContact CD1-CG1 3.92Å; L171-I175 HydrophobicContact CD1-CG2 4.39Å; L171-I175 HydrophobicContact CG-CD1 4.08Å; L171-I175 HydrophobicContact CG-CG1 4.18Å; L171-I175 WeakPolarHBondContact O-CG1 3.24Å; L171-I175 PolarHBondContact O-N 2.91Å; L171-A180 HydrophobicContact CD2-CB 4.13Å; L171-A180 HydrophobicContact CG-CB 3.82Å; L171-I184 HydrophobicContact CD2-CD1 4.24Å; L171-I184 HydrophobicContact CD2-CG1 4.23Å; L171-L200 HydrophobicContact CD1-CD1 3.56Å
172	V	97.7	Very high	98.3	Very high	40 Å²	40	50.2 Å²	50.2	24%	0.242	26%	0.262	C	S	.	.	H	α-helix	trans	-66.5	-26.2	-178.2	178.8	0	0	0	0	112.5	T168 R170 P177 A180	T168-V172 VanDerWaalsContact O-CG2 3.25Å; T168-V172 WeakPolarHBondContact O-CG2 3.31Å; R170-V172 PolarHBondContact O-N 3.45Å; V172-P177 HydrophobicContact CG1-CB 3.86Å; V172-P177 HydrophobicContact CG1-CG 4.14Å; V172-A180 HydrophobicContact CB-CB 4.26Å; V172-A180 HydrophobicContact CG2-CB 3.66Å
173	R	97.4	Very high	98.4	Very high	130 Å²	130	45 Å²	45	49%	0.491	24%	0.237	S	C	.	.	H	α-helix	trans	-84.3	-17.7	174.1	-73.9	171.2	176.8	73.7	-3.3	113.2	Q169 R170 L171	Q169-R173 WeakPolarHBondContact O-CB 3.25Å; Q169-R173 VanDerWaalsContact O-CD 3.31Å; Q169-R173 WeakPolarHBondContact O-CD 3.42Å; Q169-R173 VanDerWaalsContact O-CG 3.25Å; Q169-R173 WeakPolarHBondContact O-CG 3.49Å; Q169-R173 PolarHBondContact O-N 3.18Å; Q169-R173 PolarHBondContact O-NH1 2.77Å; R170-R173 PolarHBondContact O-N 2.78Å; L171-R173 PolarHBondContact O-N 3.29Å
174	L	97.7	Very high	98.4	Very high	68 Å²	68	45.6 Å²	45.6	36%	0.356	24%	0.24	S	C	.	.	H	α-helix	trans	-92.6	-41.9	-176.8	178.7	64	0	0	0	112.5	L139 R144 R170 L171 G199 L200	L139-L174 HydrophobicContact CD2-CD2 3.76Å; R144-L174 VanDerWaalsContact NH2-CD1 3.27Å; R144-L174 VanDerWaalsContact NH2-CD2 3.3Å; R170-L174 VanDerWaalsContact O-CB 3.3Å; R170-L174 WeakPolarHBondContact O-CB 3.45Å; R170-L174 PolarHBondContact O-N 2.9Å; L171-L174 PolarHBondContact O-N 3.43Å; L174-G199 WeakPolarHBondContact CG-O 3.37Å; L174-L200 HydrophobicContact CD2-CD1 4.38Å
175	I	98.5	Very high	98.4	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.062	26%	0.261	C	S	.	.	S	Bend	trans	-120.9	177	-175.7	72.8	169.8	0	0	0	110.9	L171 P177 I179 A180 L183 I198 L200	L171-I175 HydrophobicContact CD1-CD1 3.71Å; L171-I175 HydrophobicContact CD1-CG1 3.92Å; L171-I175 HydrophobicContact CD1-CG2 4.39Å; L171-I175 HydrophobicContact CG-CD1 4.08Å; L171-I175 HydrophobicContact CG-CG1 4.18Å; L171-I175 WeakPolarHBondContact O-CG1 3.24Å; L171-I175 PolarHBondContact O-N 2.91Å; I175-P177 WeakPolarHBondContact O-CD 3.41Å; I175-I179 HydrophobicContact CD1-CB 4.25Å; I175-I179 HydrophobicContact CD1-CG2 3.89Å; I175-A180 HydrophobicContact CD1-CB 4.05Å; I175-A180 HydrophobicContact CG1-CB 3.83Å; I175-L183 HydrophobicContact CD1-CD1 4.15Å; I175-I198 VanDerWaalsContact CB-O 3.31Å; I175-I198 WeakPolarHBondContact CB-O 3.04Å; I175-I198 HydrophobicContact CD1-CD1 4Å; I175-I198 HydrophobicContact CD1-CG1 4.39Å; I175-I198 WeakPolarHBondContact CG2-O 3.45Å; I175-L200 HydrophobicContact CG2-CB 4.45Å
176	N	98.5	Very high	98.4	Very high	90 Å²	90	54.7 Å²	54.7	48%	0.481	28%	0.28	S	S	.	.			trans	-52.7	124.3	173.9	-178.1	-65.8	0	0	0	110.8	S178 I179 A180	N176-S178 PolarHBondContact O-N 3.36Å; N176-S178 VanDerWaalsContact O-N 3.13Å; N176-S178 WeakPolarHBondContact OD1-CA 3.49Å; N176-S178 WeakPolarHBondContact OD1-CB 3.28Å; N176-S178 PolarHBondContact OD1-N 3.26Å; N176-I179 HydrophobicContact CB-CB 4.25Å; N176-I179 HydrophobicContact CB-CD1 3.9Å; N176-I179 HydrophobicContact CB-CG1 3.95Å; N176-I179 PolarHBondContact O-N 3.29Å; N176-I179 PolarHBondContact OD1-N 2.94Å; N176-A180 PolarHBondContact O-N 2.91Å
177	P	98.5	Very high	98.4	Very high	64 Å²	64	54.1 Å²	54.1	42%	0.416	27%	0.273	S	S	.	.	H	α-helix	trans	-56.3	-31.2	-177.5	-31.9	37.6	0	0	0	115.2	V172 I175 K181	V172-P177 HydrophobicContact CG1-CB 3.86Å; V172-P177 HydrophobicContact CG1-CG 4.14Å; I175-P177 WeakPolarHBondContact O-CD 3.41Å; P177-K181 WeakPolarHBondContact O-CB 3.32Å; P177-K181 WeakPolarHBondContact O-CG 3.28Å; P177-K181 PolarHBondContact O-N 3.49Å
178	S	98.7	Very high	98.4	Very high	84 Å²	84	57.3 Å²	57.3	59%	0.587	29%	0.285	S	S	*	.	H	α-helix	trans	-69.5	-43.7	176.5	-164.7	0	0	0	0	111.4	N176 K181 E182	N176-S178 PolarHBondContact O-N 3.36Å; N176-S178 VanDerWaalsContact O-N 3.13Å; N176-S178 WeakPolarHBondContact OD1-CA 3.49Å; N176-S178 WeakPolarHBondContact OD1-CB 3.28Å; N176-S178 PolarHBondContact OD1-N 3.26Å; S178-K181 PolarHBondContact O-N 3.01Å; S178-E182 PolarHBondContact O-N 3.3Å
179	I	98.7	Very high	98.4	Very high	51 Å²	51	57.5 Å²	57.5	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-64.8	-44.7	175.8	-59.5	179.1	0	0	0	109.9	I175 N176 K181 E182 L183 I198	I175-I179 HydrophobicContact CD1-CB 4.25Å; I175-I179 HydrophobicContact CD1-CG2 3.89Å; N176-I179 HydrophobicContact CB-CB 4.25Å; N176-I179 HydrophobicContact CB-CD1 3.9Å; N176-I179 HydrophobicContact CB-CG1 3.95Å; N176-I179 PolarHBondContact O-N 3.29Å; N176-I179 PolarHBondContact OD1-N 2.94Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 3.14Å; I179-E182 WeakPolarHBondContact O-CB 3.44Å; I179-E182 PolarHBondContact O-N 2.99Å; I179-L183 HydrophobicContact CG2-CD1 4.27Å; I179-L183 HydrophobicContact CG2-CG 4.38Å; I179-L183 WeakPolarHBondContact O-CG 3.49Å; I179-L183 PolarHBondContact O-N 2.83Å; I179-I198 HydrophobicContact CD1-CG2 4.32Å; I179-I198 HydrophobicContact CG2-CD1 4.26Å; I179-I198 HydrophobicContact CG2-CG2 4.32Å
180	A	98.8	Very high	98.5	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-44.8	176.5	0	0	0	0	0	112.3	L171 V172 I175 N176 L183 I184	L171-A180 HydrophobicContact CD2-CB 4.13Å; L171-A180 HydrophobicContact CG-CB 3.82Å; V172-A180 HydrophobicContact CB-CB 4.26Å; V172-A180 HydrophobicContact CG2-CB 3.66Å; I175-A180 HydrophobicContact CD1-CB 4.05Å; I175-A180 HydrophobicContact CG1-CB 3.83Å; N176-A180 PolarHBondContact O-N 2.91Å; A180-L183 PolarHBondContact O-N 3.28Å; A180-I184 WeakPolarHBondContact O-CD1 3.26Å; A180-I184 VanDerWaalsContact O-CG1 3.28Å; A180-I184 WeakPolarHBondContact O-CG1 3.25Å; A180-I184 PolarHBondContact O-N 3.3Å; A180-I184 VanDerWaalsContact O-N 3.08Å
181	K	98.7	Very high	98.5	Very high	108 Å²	108	53.9 Å²	53.9	47%	0.47	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-46.2	175.4	-76.8	172.3	-174.9	179.7	0	111.8	P177 S178 I179 L183 I184 F185	P177-K181 WeakPolarHBondContact O-CB 3.32Å; P177-K181 WeakPolarHBondContact O-CG 3.28Å; P177-K181 PolarHBondContact O-N 3.49Å; S178-K181 PolarHBondContact O-N 3.01Å; I179-K181 VanDerWaalsContact C-N 3.33Å; I179-K181 PolarHBondContact O-N 3.14Å; K181-L183 PolarHBondContact O-N 3.35Å; K181-I184 PolarHBondContact O-N 3.25Å; K181-F185 HydrophobicContact CB-CD2 4.21Å; K181-F185 HydrophobicContact CB-CE2 3.81Å; K181-F185 HydrophobicContact CB-CZ 4.01Å; K181-F185 HydrophobicContact CD-CE2 4.46Å; K181-F185 HydrophobicContact CD-CZ 4.39Å; K181-F185 HydrophobicContact CG-CE2 4.23Å; K181-F185 HydrophobicContact CG-CZ 4Å; K181-F185 VanDerWaalsContact O-CB 3.24Å; K181-F185 WeakPolarHBondContact O-CB 3.37Å; K181-F185 WeakPolarHBondContact O-CD1 3.48Å; K181-F185 WeakPolarHBondContact O-CD2 3.37Å; K181-F185 WeakPolarHBondContact O-CG 3.39Å; K181-F185 PolarHBondContact O-N 3.21Å
182	E	98.7	Very high	98.5	Very high	87 Å²	87	53.8 Å²	53.8	41%	0.407	27%	0.272	S	S	.	.	H	α-helix	trans	-54.9	-53.2	175.7	-176.3	-162.1	122.4	0	0	110.8	S178 I179 I184 F185 T186 R188	S178-E182 PolarHBondContact O-N 3.3Å; I179-E182 WeakPolarHBondContact O-CB 3.44Å; I179-E182 PolarHBondContact O-N 2.99Å; E182-I184 VanDerWaalsContact C-N 3.31Å; E182-I184 PolarHBondContact O-N 3.26Å; E182-F185 PolarHBondContact O-N 3.24Å; E182-T186 HydrophobicContact CG-CG2 4.32Å; E182-T186 WeakPolarHBondContact O-CG2 3.37Å; E182-T186 PolarHBondContact O-N 2.82Å; E182-T186 PolarHBondContact O-OG1 3.16Å; E182-R188 IonicContact OE1-CZ 2.73Å; E182-R188 VanDerWaalsContact OE1-CZ 3.27Å; E182-R188 IonicContact OE1-NE 3.53Å; E182-R188 PolarHBondContact OE1-NE 3.28Å; E182-R188 IonicContact OE1-NH2 3.75Å; E182-R188 PolarHBondContact OE1-NH2 3.01Å
183	L	98.7	Very high	98.5	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-56.9	-43.1	-179.5	-68.5	-179.3	0	0	0	112.6	I175 I179 A180 K181 G187 R188 V190 I198	I175-L183 HydrophobicContact CD1-CD1 4.15Å; I179-L183 HydrophobicContact CG2-CD1 4.27Å; I179-L183 HydrophobicContact CG2-CG 4.38Å; I179-L183 WeakPolarHBondContact O-CG 3.49Å; I179-L183 PolarHBondContact O-N 2.83Å; A180-L183 PolarHBondContact O-N 3.28Å; K181-L183 PolarHBondContact O-N 3.35Å; L183-G187 VanDerWaalsContact O-CA 3.29Å; L183-G187 WeakPolarHBondContact O-CA 3.36Å; L183-G187 PolarHBondContact O-N 3.37Å; L183-R188 HydrophobicContact CD2-CG 3.63Å; L183-R188 PolarHBondContact O-N 3.46Å; L183-V190 HydrophobicContact CD1-CG1 4.17Å; L183-V190 HydrophobicContact CD2-CG1 3.55Å; L183-I198 HydrophobicContact CD1-CD1 3.83Å
184	I	98.8	Very high	98.6	Very high	12 Å²	12	53.8 Å²	53.8	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-70.9	-47	179.1	-67.6	166.6	0	0	0	111.1	L154 T157 P163 T168 L171 A180 K181 E182 G187	L154-I184 HydrophobicContact CB-CG1 4.11Å; L154-I184 HydrophobicContact CD1-CD1 3.94Å; L154-I184 HydrophobicContact CD1-CG1 3.69Å; T157-I184 HydrophobicContact CG2-CG2 4.25Å; T157-I184 WeakPolarHBondContact CG2-O 3.4Å; T157-I184 PolarHBondContact OG1-O 3.41Å; P163-I184 HydrophobicContact CG-CG2 4.24Å; T168-I184 HydrophobicContact CG2-CD1 4.45Å; L171-I184 HydrophobicContact CD2-CD1 4.24Å; L171-I184 HydrophobicContact CD2-CG1 4.23Å; A180-I184 WeakPolarHBondContact O-CD1 3.26Å; A180-I184 VanDerWaalsContact O-CG1 3.28Å; A180-I184 WeakPolarHBondContact O-CG1 3.25Å; A180-I184 PolarHBondContact O-N 3.3Å; A180-I184 VanDerWaalsContact O-N 3.08Å; K181-I184 PolarHBondContact O-N 3.25Å; E182-I184 VanDerWaalsContact C-N 3.31Å; E182-I184 PolarHBondContact O-N 3.26Å; I184-G187 PolarHBondContact O-N 3.14Å
185	F	98.7	Very high	98.6	Very high	149 Å²	149	50.6 Å²	50.6	65%	0.654	26%	0.261	S	S	*	.	H	α-helix	trans	-67.9	-40.3	-175.3	-64.8	-11.6	0	0	0	112	K181 E182 G187	K181-F185 HydrophobicContact CB-CD2 4.21Å; K181-F185 HydrophobicContact CB-CE2 3.81Å; K181-F185 HydrophobicContact CB-CZ 4.01Å; K181-F185 HydrophobicContact CD-CE2 4.46Å; K181-F185 HydrophobicContact CD-CZ 4.39Å; K181-F185 HydrophobicContact CG-CE2 4.23Å; K181-F185 HydrophobicContact CG-CZ 4Å; K181-F185 VanDerWaalsContact O-CB 3.24Å; K181-F185 WeakPolarHBondContact O-CB 3.37Å; K181-F185 WeakPolarHBondContact O-CD1 3.48Å; K181-F185 WeakPolarHBondContact O-CD2 3.37Å; K181-F185 WeakPolarHBondContact O-CG 3.39Å; K181-F185 PolarHBondContact O-N 3.21Å; E182-F185 PolarHBondContact O-N 3.24Å; F185-G187 VanDerWaalsContact C-N 3.35Å
186	T	98.5	Very high	98.6	Very high	69 Å²	69	54.5 Å²	54.5	42%	0.423	28%	0.279	S	S	.	.	H	α-helix	trans	-83.7	-14.8	177.4	71.2	0	0	0	0	112.5	K158 E182 R188	K158-T186 WeakPolarHBondContact CE-O 3.38Å; E182-T186 HydrophobicContact CG-CG2 4.32Å; E182-T186 WeakPolarHBondContact O-CG2 3.37Å; E182-T186 PolarHBondContact O-N 2.82Å; E182-T186 PolarHBondContact O-OG1 3.16Å; T186-R188 PolarHBondContact O-N 3.16Å; T186-R188 WeakPolarHBondContact OG1-CB 3.17Å; T186-R188 WeakPolarHBondContact OG1-CG 3.43Å; T186-R188 PolarHBondContact OG1-N 3.36Å
187	G	98.3	Very high	98.6	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	33	-171.1	0	0	0	0	0	112.6	L154 K158 L183 I184 F185	L154-G187 WeakPolarHBondContact O-CA 3.43Å; K158-G187 WeakPolarHBondContact CE-O 3.39Å; K158-G187 PolarHBondContact NZ-O 3.3Å; L183-G187 VanDerWaalsContact O-CA 3.29Å; L183-G187 WeakPolarHBondContact O-CA 3.36Å; L183-G187 PolarHBondContact O-N 3.37Å; I184-G187 PolarHBondContact O-N 3.14Å; F185-G187 VanDerWaalsContact C-N 3.35Å
188	R	98.2	Very high	98.6	Very high	67 Å²	67	56.2 Å²	56.2	25%	0.253	28%	0.279	S	S	.	.			trans	-82.3	153.9	-177.9	77.1	178.4	-177.3	80.3	-1.6	110	E182 L183 T186 E194	E182-R188 IonicContact OE1-CZ 2.73Å; E182-R188 VanDerWaalsContact OE1-CZ 3.27Å; E182-R188 IonicContact OE1-NE 3.53Å; E182-R188 PolarHBondContact OE1-NE 3.28Å; E182-R188 IonicContact OE1-NH2 3.75Å; E182-R188 PolarHBondContact OE1-NH2 3.01Å; L183-R188 HydrophobicContact CD2-CG 3.63Å; L183-R188 PolarHBondContact O-N 3.46Å; T186-R188 PolarHBondContact O-N 3.16Å; T186-R188 WeakPolarHBondContact OG1-CB 3.17Å; T186-R188 WeakPolarHBondContact OG1-CG 3.43Å; T186-R188 PolarHBondContact OG1-N 3.36Å; R188-E194 IonicContact CZ-OE1 2.79Å; R188-E194 VanDerWaalsContact CZ-OE1 3.24Å; R188-E194 IonicContact NH1-OE1 3.74Å; R188-E194 PolarHBondContact NH1-OE1 3.43Å; R188-E194 IonicContact NH1-OE2 3.48Å; R188-E194 PolarHBondContact NH1-OE2 2.88Å; R188-E194 IonicContact NH2-OE1 3.41Å; R188-E194 PolarHBondContact NH2-OE1 3.08Å
189	T	98.7	Very high	98.6	Very high	38 Å²	38	53.7 Å²	53.7	23%	0.233	27%	0.266	C	S	.	.			trans	-100.1	146.5	174.3	59.5	0	0	0	0	110.7	L131 R151 M152 I155	L131-T189 HydrophobicContact CD2-CG2 3.72Å; R151-T189 PolarHBondContact NE-OG1 3.07Å; R151-T189 VanDerWaalsContact NE-OG1 3.16Å; R151-T189 PolarHBondContact NH2-O 3.16Å; R151-T189 PolarHBondContact NH2-OG1 2.87Å; R151-T189 VanDerWaalsContact NH2-OG1 3.08Å; M152-T189 CarbonylContact O-C 3.05Å; M152-T189 WeakPolarHBondContact O-CA 3.43Å; M152-T189 WeakPolarHBondContact O-CB 3.43Å; I155-T189 HydrophobicContact CG2-CG2 3.99Å
190	V	98.8	Very high	98.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	151.6	171.1	-57.2	0	0	0	0	109.2	R151 M152 L183 E194 A195 I198 L200	R151-V190 WeakPolarHBondContact CA-O 3.4Å; M152-V190 HydrophobicContact CB-CG2 4.16Å; M152-V190 PolarHBondContact N-O 2.86Å; M152-V190 PolarHBondContact O-N 3.42Å; L183-V190 HydrophobicContact CD1-CG1 4.17Å; L183-V190 HydrophobicContact CD2-CG1 3.55Å; V190-E194 HydrophobicContact CB-CB 4.16Å; V190-E194 HydrophobicContact CB-CG 4.1Å; V190-E194 WeakPolarHBondContact CB-OE2 3.15Å; V190-E194 VanDerWaalsContact CG1-CD 3.41Å; V190-E194 HydrophobicContact CG1-CG 4.04Å; V190-E194 WeakPolarHBondContact CG1-OE2 3.24Å; V190-A195 HydrophobicContact CG2-CB 3.85Å; V190-I198 HydrophobicContact CG1-CD1 4.45Å; V190-L200 HydrophobicContact CG2-CD2 3.78Å
191	D	98.7	Very high	98.6	Very high	52 Å²	52	51.6 Å²	51.6	28%	0.278	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	178.2	164.5	62.6	40.9	0	0	0	111.1	I193 E194 A195	D191-I193 VanDerWaalsContact C-N 3.3Å; D191-I193 PolarHBondContact O-N 2.88Å; D191-I193 WeakPolarHBondContact OD1-CA 3.3Å; D191-I193 WeakPolarHBondContact OD1-CB 3.36Å; D191-I193 PolarHBondContact OD1-N 2.79Å; D191-E194 PolarHBondContact OD1-N 3.08Å; D191-A195 WeakPolarHBondContact O-CB 3.39Å; D191-A195 PolarHBondContact O-N 3.31Å
192	A	98.6	Very high	98.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-30.6	-178.8	0	0	0	0	0	113.5	A146 A147 M152 A195 H196 A204	A146-A192 HydrophobicContact CB-CB 3.89Å; A147-A192 WeakPolarHBondContact O-CB 3.48Å; M152-A192 HydrophobicContact CE-CB 4.31Å; A192-A195 PolarHBondContact O-N 2.62Å; A192-H196 WeakPolarHBondContact O-CB 3.33Å; A192-H196 PolarHBondContact O-N 2.85Å; A192-A204 HydrophobicContact CB-CB 3.87Å; A192-A204 WeakPolarHBondContact O-CB 3.21Å
193	I	98.4	Very high	98.6	Very high	116 Å²	116	49.3 Å²	49.3	60%	0.595	25%	0.245	S	C	*	.	H	α-helix	trans	-69.9	-50.1	-178.2	-63	172.6	0	0	0	109	D191 A195 H196 H197	D191-I193 VanDerWaalsContact C-N 3.3Å; D191-I193 PolarHBondContact O-N 2.88Å; D191-I193 WeakPolarHBondContact OD1-CA 3.3Å; D191-I193 WeakPolarHBondContact OD1-CB 3.36Å; D191-I193 PolarHBondContact OD1-N 2.79Å; I193-A195 VanDerWaalsContact C-N 3.34Å; I193-H196 PolarHBondContact O-N 2.78Å; I193-H197 WeakPolarHBondContact O-CB 3.43Å; I193-H197 PolarHBondContact O-N 3Å
194	E	98.6	Very high	98.6	Very high	55 Å²	55	50.8 Å²	50.8	26%	0.257	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-44.5	173.7	-177.1	-176.6	-177.9	0	0	110.6	R188 V190 D191 H196 H197 I198	R188-E194 IonicContact CZ-OE1 2.79Å; R188-E194 VanDerWaalsContact CZ-OE1 3.24Å; R188-E194 IonicContact NH1-OE1 3.74Å; R188-E194 PolarHBondContact NH1-OE1 3.43Å; R188-E194 IonicContact NH1-OE2 3.48Å; R188-E194 PolarHBondContact NH1-OE2 2.88Å; R188-E194 IonicContact NH2-OE1 3.41Å; R188-E194 PolarHBondContact NH2-OE1 3.08Å; V190-E194 HydrophobicContact CB-CB 4.16Å; V190-E194 HydrophobicContact CB-CG 4.1Å; V190-E194 WeakPolarHBondContact CB-OE2 3.15Å; V190-E194 VanDerWaalsContact CG1-CD 3.41Å; V190-E194 HydrophobicContact CG1-CG 4.04Å; V190-E194 WeakPolarHBondContact CG1-OE2 3.24Å; D191-E194 PolarHBondContact OD1-N 3.08Å; E194-H196 VanDerWaalsContact C-N 3.28Å; E194-H196 PolarHBondContact O-N 2.91Å; E194-H197 WeakPolarHBondContact O-CB 3.36Å; E194-H197 PolarHBondContact O-N 3.04Å; E194-H197 VanDerWaalsContact O-N 3.12Å; E194-I198 HydrophobicContact CG-CG2 4.37Å; E194-I198 WeakPolarHBondContact O-CG1 3.44Å; E194-I198 PolarHBondContact O-N 3.36Å
195	A	98.8	Very high	98.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.9	-40	177.5	0	0	0	0	0	112.8	M152 V190 D191 A192 I193 G199 L200 V201	M152-A195 HydrophobicContact CE-CB 3.32Å; M152-A195 HydrophobicContact SD-CB 4.44Å; V190-A195 HydrophobicContact CG2-CB 3.85Å; D191-A195 WeakPolarHBondContact O-CB 3.39Å; D191-A195 PolarHBondContact O-N 3.31Å; A192-A195 PolarHBondContact O-N 2.62Å; I193-A195 VanDerWaalsContact C-N 3.34Å; A195-G199 PolarHBondContact O-N 2.96Å; A195-L200 HydrophobicContact CB-CB 4.02Å; A195-L200 HydrophobicContact CB-CD2 3.89Å; A195-L200 HydrophobicContact CB-CG 4.23Å; A195-L200 WeakPolarHBondContact O-CA 3.45Å; A195-L200 WeakPolarHBondContact O-CB 3.28Å; A195-L200 PolarHBondContact O-N 3.31Å; A195-V201 HydrophobicContact CB-CG1 4.27Å; A195-V201 HydrophobicContact CB-CG2 3.85Å; A195-V201 PolarHBondContact O-N 3.37Å
196	H	98.7	Very high	98.6	Very high	95 Å²	95	52.1 Å²	52.1	44%	0.44	27%	0.268	S	S	.	.	H	α-helix	trans	-68.4	-45.5	175.2	177.7	54.5	0	0	0	111.1	A192 I193 E194 I198 G199 V201 N202 A204	A192-H196 WeakPolarHBondContact O-CB 3.33Å; A192-H196 PolarHBondContact O-N 2.85Å; I193-H196 PolarHBondContact O-N 2.78Å; E194-H196 VanDerWaalsContact C-N 3.28Å; E194-H196 PolarHBondContact O-N 2.91Å; H196-I198 VanDerWaalsContact C-N 3.3Å; H196-I198 PolarHBondContact O-N 3.25Å; H196-G199 PolarHBondContact O-N 3.25Å; H196-G199 VanDerWaalsContact O-N 3.08Å; H196-V201 HydrophobicContact CB-CG2 3.99Å; H196-V201 PolarHBondContact ND1-O 3.41Å; H196-N202 PolarHBondContact CE1-O 3.44Å; H196-N202 PolarHBondContact ND1-O 3.16Å; H196-N202 VanDerWaalsContact ND1-O 3.14Å; H196-A204 HydrophobicContact CB-CB 3.92Å
197	H	98.6	Very high	98.6	Very high	164 Å²	164	50.5 Å²	50.5	76%	0.759	26%	0.256	S	S	*	.	H	α-helix	trans	-58.2	-39.4	180	-176.5	67.4	0	0	0	113	I193 E194	I193-H197 WeakPolarHBondContact O-CB 3.43Å; I193-H197 PolarHBondContact O-N 3Å; E194-H197 WeakPolarHBondContact O-CB 3.36Å; E194-H197 PolarHBondContact O-N 3.04Å; E194-H197 VanDerWaalsContact O-N 3.12Å
198	I	98.6	Very high	98.6	Very high	26 Å²	26	53.1 Å²	53.1	13%	0.133	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.5	179.2	70.9	-176.9	0	0	0	113.9	I175 I179 L183 V190 E194 H196 L200	I175-I198 VanDerWaalsContact CB-O 3.31Å; I175-I198 WeakPolarHBondContact CB-O 3.04Å; I175-I198 HydrophobicContact CD1-CD1 4Å; I175-I198 HydrophobicContact CD1-CG1 4.39Å; I175-I198 WeakPolarHBondContact CG2-O 3.45Å; I179-I198 HydrophobicContact CD1-CG2 4.32Å; I179-I198 HydrophobicContact CG2-CD1 4.26Å; I179-I198 HydrophobicContact CG2-CG2 4.32Å; L183-I198 HydrophobicContact CD1-CD1 3.83Å; V190-I198 HydrophobicContact CG1-CD1 4.45Å; E194-I198 HydrophobicContact CG-CG2 4.37Å; E194-I198 WeakPolarHBondContact O-CG1 3.44Å; E194-I198 PolarHBondContact O-N 3.36Å; H196-I198 VanDerWaalsContact C-N 3.3Å; H196-I198 PolarHBondContact O-N 3.25Å; I198-L200 HydrophobicContact CD1-CB 4.15Å; I198-L200 HydrophobicContact CG1-CB 3.96Å
199	G	98.5	Very high	98.5	Very high	31 Å²	31	62.2 Å²	62.2	32%	0.32	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	9	-178	0	0	0	0	0	115.6	L174 A195 H196 V201	L174-G199 WeakPolarHBondContact CG-O 3.37Å; A195-G199 PolarHBondContact O-N 2.96Å; H196-G199 PolarHBondContact O-N 3.25Å; H196-G199 VanDerWaalsContact O-N 3.08Å; G199-V201 VanDerWaalsContact C-N 3.32Å; G199-V201 PolarHBondContact O-N 3.42Å
200	L	98.8	Very high	98.4	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	32%	0.317	C	S	.	.	S	Bend	trans	-64.6	-37.4	175	175.4	62.5	0	0	0	111.5	L135 L139 R144 M152 L171 L174 I175 V190 A195 I198	L135-L200 HydrophobicContact CD1-CD1 4.31Å; L135-L200 HydrophobicContact CD2-CD2 4.41Å; L139-L200 HydrophobicContact CD2-CD1 3.75Å; R144-L200 WeakPolarHBondContact CD-O 3.18Å; R144-L200 PolarHBondContact NE-O 2.79Å; M152-L200 HydrophobicContact CB-CD2 4.2Å; M152-L200 HydrophobicContact SD-CD2 4.49Å; L171-L200 HydrophobicContact CD1-CD1 3.56Å; L174-L200 HydrophobicContact CD2-CD1 4.38Å; I175-L200 HydrophobicContact CG2-CB 4.45Å; V190-L200 HydrophobicContact CG2-CD2 3.78Å; A195-L200 HydrophobicContact CB-CB 4.02Å; A195-L200 HydrophobicContact CB-CD2 3.89Å; A195-L200 HydrophobicContact CB-CG 4.23Å; A195-L200 WeakPolarHBondContact O-CA 3.45Å; A195-L200 WeakPolarHBondContact O-CB 3.28Å; A195-L200 PolarHBondContact O-N 3.31Å; I198-L200 HydrophobicContact CD1-CB 4.15Å; I198-L200 HydrophobicContact CG1-CB 3.96Å
201	V	98.9	Very high	98.3	Very high	4 Å²	4	66.5 Å²	66.5	2%	0.024	33%	0.33	C	S	.	.			trans	-126.3	148.1	175.1	-58.1	0	0	0	0	111.3	I126 R144 A146 M152 A195 H196 G199	I126-V201 HydrophobicContact CD1-CG1 4.48Å; R144-V201 HydrophobicContact CB-CB 4.17Å; R144-V201 HydrophobicContact CB-CG1 4.02Å; A146-V201 HydrophobicContact CB-CB 4.44Å; A146-V201 HydrophobicContact CB-CG1 4.05Å; A146-V201 HydrophobicContact CB-CG2 4.24Å; M152-V201 HydrophobicContact CE-CG1 4.13Å; M152-V201 HydrophobicContact SD-CG1 3.8Å; A195-V201 HydrophobicContact CB-CG1 4.27Å; A195-V201 HydrophobicContact CB-CG2 3.85Å; A195-V201 PolarHBondContact O-N 3.37Å; H196-V201 HydrophobicContact CB-CG2 3.99Å; H196-V201 PolarHBondContact ND1-O 3.41Å; G199-V201 VanDerWaalsContact C-N 3.32Å; G199-V201 PolarHBondContact O-N 3.42Å
202	N	98.8	Very high	98.3	Very high	64 Å²	64	66.3 Å²	66.3	34%	0.342	33%	0.329	S	S	.	.	S	Bend	trans	-71.9	-34.6	178.9	-59.9	80.2	0	0	0	111.5	I143 R144 H196	I143-N202 WeakPolarHBondContact CA-OD1 3.47Å; I143-N202 HydrophobicContact CG2-CB 4.08Å; R144-N202 PolarHBondContact N-OD1 3.04Å; R144-N202 WeakPolarHBondContact O-CB 3.49Å; R144-N202 PolarHBondContact O-N 3.31Å; H196-N202 PolarHBondContact CE1-O 3.44Å; H196-N202 PolarHBondContact ND1-O 3.16Å; H196-N202 VanDerWaalsContact ND1-O 3.14Å
203	Y	98.7	Very high	98.2	Very high	84 Å²	84	66.8 Å²	66.8	33%	0.329	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.4	-177.4	-62.5	-85	0	0	0	111.4	R144 I145 A146 I221	R144-Y203 PolarHBondContact O-N 2.78Å; I145-Y203 HydrophobicContact CG1-CD2 4.14Å; A146-Y203 PolarHBondContact N-O 3.37Å; Y203-I221 HydrophobicContact CD2-CD1 3.61Å; Y203-I221 HydrophobicContact CE2-CD1 3.41Å; Y203-I221 VanDerWaalsContact CE2-CD1 3.41Å; Y203-I221 HydrophobicContact CE2-CG1 4.19Å
204	A	98.6	Very high	98.3	Very high	38 Å²	38	61.3 Å²	61.3	31%	0.314	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	125	162.2	0	0	0	0	0	109	A146 A192 H196	A146-A204 CarbonylContact O-C 3.59Å; A146-A204 VanDerWaalsContact O-CA 3.31Å; A146-A204 WeakPolarHBondContact O-CA 3.36Å; A192-A204 HydrophobicContact CB-CB 3.87Å; A192-A204 WeakPolarHBondContact O-CB 3.21Å; H196-A204 HydrophobicContact CB-CB 3.92Å
205	V	98.7	Very high	98.3	Very high	29 Å²	29	59.9 Å²	59.9	18%	0.176	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146.9	-177.4	-62.7	0	0	0	0	111.8	I145 A146 A147 N148 Q207 A213 A214 R217	I145-V205 HydrophobicContact CG2-CG1 4.3Å; I145-V205 HydrophobicContact CG2-CG2 4.25Å; A146-V205 PolarHBondContact O-N 2.87Å; A147-V205 CarbonylContact C-O 3.51Å; A147-V205 WeakPolarHBondContact CA-O 3.29Å; N148-V205 WeakPolarHBondContact CB-O 3.48Å; N148-V205 PolarHBondContact N-O 2.68Å; V205-Q207 PolarHBondContact O-N 2.85Å; V205-A213 HydrophobicContact CG2-CB 3.97Å; V205-A214 HydrophobicContact CG2-CB 4.38Å; V205-R217 HydrophobicContact CG1-CB 3.99Å; V205-R217 HydrophobicContact CG1-CG 3.87Å
206	H	98.4	Very high	98.3	Very high	160 Å²	160	62.7 Å²	62.7	74%	0.741	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-64.5	128.2	171.3	-72.4	-68.1	0	0	0	110.3	N148 A213	N148-H206 PolarHBondContact ND2-ND1 2.91Å; H206-A213 VanDerWaalsContact O-CB 3.27Å; H206-A213 WeakPolarHBondContact O-CB 3.41Å
207	Q	97.8	Very high	98.3	Very high	35 Å²	35	60.5 Å²	60.5	16%	0.164	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-65.1	140.8	178	-169.6	51.3	-84.2	0	0	111.1	D127 A147 N148 V205 M211	D127-Q207 PolarHBondContact OD1-NE2 2.89Å; A147-Q207 HydrophobicContact CB-CB 4.18Å; A147-Q207 HydrophobicContact CB-CG 4.39Å; N148-Q207 PolarHBondContact OD1-N 3.37Å; V205-Q207 PolarHBondContact O-N 2.85Å; Q207-M211 HydrophobicContact CG-CE 4.47Å; Q207-M211 HydrophobicContact CG-SD 3.61Å
208	N	97.6	Very high	98.3	Very high	55 Å²	55	52.7 Å²	52.7	29%	0.294	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-96.6	173.8	178	71.3	21.6	0	0	0	110.7	S210 M211 D212 A213	N208-S210 VanDerWaalsContact C-N 3.26Å; N208-S210 PolarHBondContact O-N 3.04Å; N208-S210 WeakPolarHBondContact OD1-CA 3.43Å; N208-S210 PolarHBondContact OD1-N 2.86Å; N208-M211 PolarHBondContact O-N 2.87Å; N208-M211 PolarHBondContact OD1-N 3.22Å; N208-D212 PolarHBondContact ND2-OD1 3.28Å; N208-D212 PolarHBondContact OD1-N 2.82Å; N208-D212 VanDerWaalsContact OD1-N 3.15Å; N208-D212 PolarHBondContact OD1-OD1 3.18Å; N208-A213 HydrophobicContact CB-CB 4.15Å; N208-A213 PolarHBondContact ND2-N 3.12Å
209	R	96.5	Very high	98.3	Very high	258 Å²	258	52.8 Å²	52.8	97%	0.974	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-30.1	179.6	-67.2	-176.7	178.7	-178.8	-0.8	113.3	M211	R209-M211 PolarHBondContact O-N 3.39Å
210	S	96.5	Very high	98.2	Very high	72 Å²	72	55.4 Å²	55.4	50%	0.503	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.1	178.9	-63.3	0	0	0	0	112.8	K81 N208 D212	K81-S210 PolarHBondContact NZ-O 2.81Å; N208-S210 VanDerWaalsContact C-N 3.26Å; N208-S210 PolarHBondContact O-N 3.04Å; N208-S210 WeakPolarHBondContact OD1-CA 3.43Å; N208-S210 PolarHBondContact OD1-N 2.86Å; S210-D212 VanDerWaalsContact C-N 3.29Å; S210-D212 VanDerWaalsContact CB-OD1 3.29Å; S210-D212 WeakPolarHBondContact CB-OD1 3.47Å; S210-D212 PolarHBondContact O-N 2.8Å
211	M	97.1	Very high	98.2	Very high	56 Å²	56	55.8 Å²	55.8	28%	0.276	27%	0.273	S	S	.	.	S	Bend	trans	56.3	42.1	-176.3	-60.7	-76.3	-66.3	0	0	112.3	K81 N149 Q207 N208 R209	K81-M211 HydrophobicContact CD-CB 3.72Å; K81-M211 HydrophobicContact CD-CG 4.29Å; N149-M211 WeakPolarHBondContact ND2-CE 3.44Å; Q207-M211 HydrophobicContact CG-CE 4.47Å; Q207-M211 HydrophobicContact CG-SD 3.61Å; N208-M211 PolarHBondContact O-N 2.87Å; N208-M211 PolarHBondContact OD1-N 3.22Å; R209-M211 PolarHBondContact O-N 3.39Å
212	D	97.9	Very high	98.2	Very high	48 Å²	48	55.8 Å²	55.8	26%	0.257	27%	0.273	S	S	.	.			trans	-141.1	22.9	-179.9	68	0.3	0	0	0	113	D127 N208 S210 A214 Y215 V216	D127-D212 VanDerWaalsContact CG-CA 3.44Å; D127-D212 VanDerWaalsContact OD1-C 3.24Å; D127-D212 WeakPolarHBondContact OD1-CA 3.42Å; D127-D212 WeakPolarHBondContact OD2-CA 3.15Å; N208-D212 PolarHBondContact ND2-OD1 3.28Å; N208-D212 PolarHBondContact OD1-N 2.82Å; N208-D212 VanDerWaalsContact OD1-N 3.15Å; N208-D212 PolarHBondContact OD1-OD1 3.18Å; S210-D212 VanDerWaalsContact C-N 3.29Å; S210-D212 VanDerWaalsContact CB-OD1 3.29Å; S210-D212 WeakPolarHBondContact CB-OD1 3.47Å; S210-D212 PolarHBondContact O-N 2.8Å; D212-A214 VanDerWaalsContact C-N 3.31Å; D212-A214 PolarHBondContact O-N 2.87Å; D212-Y215 WeakPolarHBondContact O-CB 3.14Å; D212-Y215 PolarHBondContact O-N 3.48Å; D212-Y215 VanDerWaalsContact O-N 3.11Å; D212-V216 WeakPolarHBondContact O-CG2 3.17Å; D212-V216 PolarHBondContact O-N 2.9Å
213	A	98.5	Very high	98.1	Very high	11 Å²	11	55.3 Å²	55.3	9%	0.091	27%	0.27	C	S	.	.	H	α-helix	trans	-59.5	-37.4	-177	0	0	0	0	0	113.6	D127 V205 H206 N208 Y215 V216 R217	D127-A213 PolarHBondContact OD1-N 2.93Å; V205-A213 HydrophobicContact CG2-CB 3.97Å; H206-A213 VanDerWaalsContact O-CB 3.27Å; H206-A213 WeakPolarHBondContact O-CB 3.41Å; N208-A213 HydrophobicContact CB-CB 4.15Å; N208-A213 PolarHBondContact ND2-N 3.12Å; A213-Y215 VanDerWaalsContact C-N 3.33Å; A213-V216 PolarHBondContact O-N 3.45Å; A213-R217 PolarHBondContact O-N 2.87Å
214	A	98.8	Very high	97.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-66.6	-38.9	176.7	0	0	0	0	0	110.9	A125 D127 I145 V205 D212 R217 T218	A125-A214 HydrophobicContact CB-CB 4.29Å; D127-A214 WeakPolarHBondContact OD1-CB 3.46Å; D127-A214 PolarHBondContact OD1-N 2.8Å; D127-A214 WeakPolarHBondContact OD2-CB 3.37Å; D127-A214 PolarHBondContact OD2-N 3Å; I145-A214 HydrophobicContact CB-CB 4.24Å; I145-A214 HydrophobicContact CG2-CB 3.76Å; V205-A214 HydrophobicContact CG2-CB 4.38Å; D212-A214 VanDerWaalsContact C-N 3.31Å; D212-A214 PolarHBondContact O-N 2.87Å; A214-R217 PolarHBondContact O-N 3.41Å; A214-T218 WeakPolarHBondContact O-CB 3.36Å; A214-T218 PolarHBondContact O-N 3.46Å; A214-T218 PolarHBondContact O-OG1 3.44Å
215	Y	98.7	Very high	97.8	Very high	25 Å²	25	56.7 Å²	56.7	10%	0.098	27%	0.274	C	S	.	.	H	α-helix	trans	-64.4	-43.9	173.4	-175.8	-118.5	0	0	0	112.4	V75 K77 A125 D127 D212 A213 R217 T218 L219	V75-Y215 HydrophobicContact CG1-CD2 4.09Å; V75-Y215 HydrophobicContact CG1-CE2 3.97Å; K77-Y215 HydrophobicContact CD-CD2 3.8Å; K77-Y215 HydrophobicContact CD-CE1 4.45Å; K77-Y215 HydrophobicContact CD-CE2 3.74Å; K77-Y215 HydrophobicContact CD-CG 4.2Å; A125-Y215 HydrophobicContact CB-CD2 4.2Å; D127-Y215 PolarHBondContact OD2-N 3.13Å; D212-Y215 WeakPolarHBondContact O-CB 3.14Å; D212-Y215 PolarHBondContact O-N 3.48Å; D212-Y215 VanDerWaalsContact O-N 3.11Å; A213-Y215 VanDerWaalsContact C-N 3.33Å; Y215-R217 VanDerWaalsContact C-N 3.34Å; Y215-R217 PolarHBondContact O-N 2.91Å; Y215-T218 VanDerWaalsContact O-CB 3.27Å; Y215-T218 WeakPolarHBondContact O-CB 3.4Å; Y215-T218 PolarHBondContact O-N 2.88Å; Y215-T218 VanDerWaalsContact O-N 3.11Å; Y215-L219 HydrophobicContact CD1-CD1 4.4Å; Y215-L219 HydrophobicContact CE1-CD1 3.92Å; Y215-L219 HydrophobicContact CE1-CG 4.44Å; Y215-L219 HydrophobicContact CE2-CD2 4.34Å; Y215-L219 HydrophobicContact CE2-CG 4.44Å; Y215-L219 PolarHBondContact O-N 2.91Å
216	V	98.5	Very high	97.4	Very high	60 Å²	60	57.6 Å²	57.6	36%	0.364	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-45.4	175.1	172.7	0	0	0	0	111.2	D212 A213 T218 L219 Q220	D212-V216 WeakPolarHBondContact O-CG2 3.17Å; D212-V216 PolarHBondContact O-N 2.9Å; A213-V216 PolarHBondContact O-N 3.45Å; V216-T218 VanDerWaalsContact C-N 3.3Å; V216-T218 PolarHBondContact O-N 3.28Å; V216-L219 PolarHBondContact O-N 3.29Å; V216-Q220 WeakPolarHBondContact O-CG 3.39Å; V216-Q220 PolarHBondContact O-N 3.25Å
217	R	98.8	Very high	96.9	Very high	48 Å²	48	54.2 Å²	54.2	18%	0.181	28%	0.278	C	S	.	.	H	α-helix	trans	-66.3	-33	176.4	179	61.3	-178.1	148.2	8	112.4	I145 V205 A213 A214 Y215 Q220 I221 E224	I145-R217 HydrophobicContact CG1-CG 4.5Å; I145-R217 HydrophobicContact CG2-CB 4.03Å; I145-R217 HydrophobicContact CG2-CG 4.04Å; V205-R217 HydrophobicContact CG1-CB 3.99Å; V205-R217 HydrophobicContact CG1-CG 3.87Å; A213-R217 PolarHBondContact O-N 2.87Å; A214-R217 PolarHBondContact O-N 3.41Å; Y215-R217 VanDerWaalsContact C-N 3.34Å; Y215-R217 PolarHBondContact O-N 2.91Å; R217-Q220 WeakPolarHBondContact O-CB 3.32Å; R217-Q220 PolarHBondContact O-N 3.35Å; R217-I221 HydrophobicContact CG-CD1 4.19Å; R217-I221 WeakPolarHBondContact O-CG1 3.49Å; R217-I221 PolarHBondContact O-N 3.38Å; R217-I221 VanDerWaalsContact O-N 3.09Å; R217-E224 IonicContact CZ-OE1 3.43Å; R217-E224 IonicContact NH1-OE1 3.37Å; R217-E224 PolarHBondContact NH1-OE1 3.26Å; R217-E224 IonicContact NH2-OE1 2.62Å; R217-E224 PolarHBondContact NH2-OE1 3.28Å
218	T	98.8	Very high	96.7	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-46.5	173.5	-58.9	0	0	0	0	111.1	V75 M123 I145 A214 Y215 V216 Q220 I221 I222	V75-T218 HydrophobicContact CG1-CG2 3.89Å; V75-T218 HydrophobicContact CG2-CG2 3.89Å; M123-T218 HydrophobicContact CB-CG2 3.88Å; M123-T218 HydrophobicContact CE-CG2 3.89Å; M123-T218 HydrophobicContact SD-CG2 4.02Å; I145-T218 WeakPolarHBondContact CD1-OG1 3.39Å; A214-T218 WeakPolarHBondContact O-CB 3.36Å; A214-T218 PolarHBondContact O-N 3.46Å; A214-T218 PolarHBondContact O-OG1 3.44Å; Y215-T218 VanDerWaalsContact O-CB 3.27Å; Y215-T218 WeakPolarHBondContact O-CB 3.4Å; Y215-T218 PolarHBondContact O-N 2.88Å; Y215-T218 VanDerWaalsContact O-N 3.11Å; V216-T218 VanDerWaalsContact C-N 3.3Å; V216-T218 PolarHBondContact O-N 3.28Å; T218-Q220 VanDerWaalsContact C-N 3.32Å; T218-Q220 PolarHBondContact O-N 3.22Å; T218-I221 PolarHBondContact O-N 3.02Å; T218-I222 HydrophobicContact CG2-CD1 4.2Å; T218-I222 WeakPolarHBondContact O-CG1 3.33Å; T218-I222 PolarHBondContact O-N 2.89Å
219	L	98.5	Very high	96.5	Very high	28 Å²	28	51.5 Å²	51.5	15%	0.147	27%	0.272	C	S	.	.	H	α-helix	trans	-62.7	-36.9	177	-65.6	178.6	0	0	0	112.6	F29 L36 Y215 V216 I222 D223	F29-L219 HydrophobicContact CZ-CD2 4.48Å; L36-L219 HydrophobicContact CD1-CD2 3.89Å; Y215-L219 HydrophobicContact CD1-CD1 4.4Å; Y215-L219 HydrophobicContact CE1-CD1 3.92Å; Y215-L219 HydrophobicContact CE1-CG 4.44Å; Y215-L219 HydrophobicContact CE2-CD2 4.34Å; Y215-L219 HydrophobicContact CE2-CG 4.44Å; Y215-L219 PolarHBondContact O-N 2.91Å; V216-L219 PolarHBondContact O-N 3.29Å; L219-I222 HydrophobicContact CD2-CD1 4.37Å; L219-I222 WeakPolarHBondContact O-CB 3.26Å; L219-I222 PolarHBondContact O-N 3.06Å; L219-D223 PolarHBondContact O-N 2.75Å
220	Q	98.3	Very high	96.4	Very high	87 Å²	87	40 Å²	40	41%	0.407	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-42.1	175	-67.4	171.6	-7.5	0	0	112.5	V216 R217 T218 I222 D223 E224	V216-Q220 WeakPolarHBondContact O-CG 3.39Å; V216-Q220 PolarHBondContact O-N 3.25Å; R217-Q220 WeakPolarHBondContact O-CB 3.32Å; R217-Q220 PolarHBondContact O-N 3.35Å; T218-Q220 VanDerWaalsContact C-N 3.32Å; T218-Q220 PolarHBondContact O-N 3.22Å; Q220-I222 VanDerWaalsContact C-N 3.28Å; Q220-I222 PolarHBondContact O-N 3.03Å; Q220-D223 WeakPolarHBondContact O-CB 2.81Å; Q220-D223 PolarHBondContact O-N 3.08Å; Q220-D223 VanDerWaalsContact O-N 3.15Å; Q220-E224 WeakPolarHBondContact O-CG 3.49Å; Q220-E224 PolarHBondContact O-N 2.94Å
221	I	98.1	Very high	96.3	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.051	22%	0.22	C	C	.	.	H	α-helix	trans	-64.9	-36.9	176.3	-66	160.8	0	0	0	110.4	M123 I145 Y203 R217 T218 D223 E224 M225	M123-I221 HydrophobicContact CE-CB 3.76Å; M123-I221 HydrophobicContact CE-CD1 4.12Å; M123-I221 HydrophobicContact CE-CG2 3.46Å; M123-I221 VanDerWaalsContact CE-CG2 3.46Å; M123-I221 HydrophobicContact SD-CG2 4.48Å; I145-I221 HydrophobicContact CD1-CD1 4Å; I145-I221 HydrophobicContact CG1-CD1 3.86Å; Y203-I221 HydrophobicContact CD2-CD1 3.61Å; Y203-I221 HydrophobicContact CE2-CD1 3.41Å; Y203-I221 VanDerWaalsContact CE2-CD1 3.41Å; Y203-I221 HydrophobicContact CE2-CG1 4.19Å; R217-I221 HydrophobicContact CG-CD1 4.19Å; R217-I221 WeakPolarHBondContact O-CG1 3.49Å; R217-I221 PolarHBondContact O-N 3.38Å; R217-I221 VanDerWaalsContact O-N 3.09Å; T218-I221 PolarHBondContact O-N 3.02Å; I221-D223 VanDerWaalsContact C-N 3.31Å; I221-D223 PolarHBondContact O-N 3.08Å; I221-E224 WeakPolarHBondContact O-CB 3.47Å; I221-E224 PolarHBondContact O-N 2.87Å; I221-M225 HydrophobicContact CG2-SD 4.1Å; I221-M225 WeakPolarHBondContact O-CG 3.35Å; I221-M225 PolarHBondContact O-N 2.73Å
222	I	97.9	Very high	96.3	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-40.8	172.6	-71.3	168.4	0	0	0	111.1	L36 A73 V75 M123 T218 L219 Q220 E224 M225 A226	L36-I222 HydrophobicContact CD1-CD1 3.83Å; L36-I222 HydrophobicContact CD1-CG2 4.24Å; L36-I222 HydrophobicContact CD2-CD1 4.02Å; L36-I222 HydrophobicContact CD2-CG2 3.79Å; A73-I222 HydrophobicContact CB-CD1 4.27Å; A73-I222 HydrophobicContact CB-CG1 4.23Å; V75-I222 HydrophobicContact CG2-CD1 3.72Å; M123-I222 HydrophobicContact SD-CD1 4.07Å; M123-I222 HydrophobicContact SD-CG1 3.6Å; T218-I222 HydrophobicContact CG2-CD1 4.2Å; T218-I222 WeakPolarHBondContact O-CG1 3.33Å; T218-I222 PolarHBondContact O-N 2.89Å; L219-I222 HydrophobicContact CD2-CD1 4.37Å; L219-I222 WeakPolarHBondContact O-CB 3.26Å; L219-I222 PolarHBondContact O-N 3.06Å; Q220-I222 VanDerWaalsContact C-N 3.28Å; Q220-I222 PolarHBondContact O-N 3.03Å; I222-E224 VanDerWaalsContact C-N 3.35Å; I222-M225 PolarHBondContact O-N 3.48Å; I222-A226 PolarHBondContact O-N 3.18Å
223	D	96.7	Very high	96.3	Very high	55 Å²	55	38.5 Å²	38.5	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-63	-40.3	175.1	-68.6	-38	0	0	0	111.9	H31 N32 L219 Q220 I221 M225 A226	H31-D223 IonicContact CD2-OD1 3.53Å; H31-D223 PolarHBondContact CD2-OD1 2.88Å; H31-D223 IonicContact CD2-OD2 2.85Å; H31-D223 IonicContact CE1-OD2 3.77Å; H31-D223 VanDerWaalsContact NE2-CG 3.3Å; H31-D223 IonicContact NE2-OD1 3.02Å; H31-D223 PolarHBondContact NE2-OD1 2.96Å; H31-D223 IonicContact NE2-OD2 3.99Å; H31-D223 PolarHBondContact NE2-OD2 2.89Å; N32-D223 VanDerWaalsContact CB-OD1 3.3Å; N32-D223 WeakPolarHBondContact CB-OD1 3.06Å; N32-D223 VanDerWaalsContact ND2-CG 3.29Å; N32-D223 PolarHBondContact ND2-OD1 2.99Å; N32-D223 PolarHBondContact ND2-OD2 3Å; N32-D223 VanDerWaalsContact ND2-OD2 3.16Å; L219-D223 PolarHBondContact O-N 2.75Å; Q220-D223 WeakPolarHBondContact O-CB 2.81Å; Q220-D223 PolarHBondContact O-N 3.08Å; Q220-D223 VanDerWaalsContact O-N 3.15Å; I221-D223 VanDerWaalsContact C-N 3.31Å; I221-D223 PolarHBondContact O-N 3.08Å; D223-M225 VanDerWaalsContact C-N 3.34Å; D223-A226 WeakPolarHBondContact O-CB 3.49Å; D223-A226 PolarHBondContact O-N 3.27Å
224	E	95.7	Very high	96.2	Very high	106 Å²	106	39.6 Å²	39.6	50%	0.495	22%	0.222	S	C	.	.	H	α-helix	trans	-60.9	-44.9	174.3	-66.3	167.1	-153.9	0	0	110.6	R217 Q220 I221 I222 A226 S227	R217-E224 IonicContact CZ-OE1 3.43Å; R217-E224 IonicContact NH1-OE1 3.37Å; R217-E224 PolarHBondContact NH1-OE1 3.26Å; R217-E224 IonicContact NH2-OE1 2.62Å; R217-E224 PolarHBondContact NH2-OE1 3.28Å; Q220-E224 WeakPolarHBondContact O-CG 3.49Å; Q220-E224 PolarHBondContact O-N 2.94Å; I221-E224 WeakPolarHBondContact O-CB 3.47Å; I221-E224 PolarHBondContact O-N 2.87Å; I222-E224 VanDerWaalsContact C-N 3.35Å; E224-A226 VanDerWaalsContact C-N 3.33Å; E224-A226 PolarHBondContact O-N 2.81Å; E224-S227 PolarHBondContact O-OG 2.62Å
225	M	95.3	Very high	96.1	Very high	45 Å²	45	40.3 Å²	40.3	22%	0.222	23%	0.225	C	C	.	.	H	α-helix	trans	-69.2	-24.3	177.8	-71.7	170.7	34.3	0	0	114.2	P121 I143 I221 I222 D223 S227 G228	P121-M225 HydrophobicContact CB-CE 3.77Å; P121-M225 HydrophobicContact CG-CE 3.57Å; I143-M225 HydrophobicContact CD1-SD 4.44Å; I221-M225 HydrophobicContact CG2-SD 4.1Å; I221-M225 WeakPolarHBondContact O-CG 3.35Å; I221-M225 PolarHBondContact O-N 2.73Å; I222-M225 PolarHBondContact O-N 3.48Å; D223-M225 VanDerWaalsContact C-N 3.34Å; M225-S227 PolarHBondContact O-N 3.48Å; M225-S227 VanDerWaalsContact O-N 3.08Å; M225-G228 PolarHBondContact O-N 2.79Å
226	A	90.6	Very high	96.1	Very high	47 Å²	47	42.1 Å²	42.1	39%	0.388	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.8	-177.5	0	0	0	0	0	113.1	S34 I222 D223 E224 G228	S34-A226 WeakPolarHBondContact OG-CB 3.32Å; I222-A226 PolarHBondContact O-N 3.18Å; D223-A226 WeakPolarHBondContact O-CB 3.49Å; D223-A226 PolarHBondContact O-N 3.27Å; E224-A226 VanDerWaalsContact C-N 3.33Å; E224-A226 PolarHBondContact O-N 2.81Å; A226-G228 VanDerWaalsContact C-N 3.29Å
227	S	88.6	Confident	96.1	Very high	89 Å²	89	40.2 Å²	40.2	62%	0.622	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.3	173.4	67.3	0	0	0	0	114.1	E224 M225 F283	E224-S227 PolarHBondContact O-OG 2.62Å; M225-S227 PolarHBondContact O-N 3.48Å; M225-S227 VanDerWaalsContact O-N 3.08Å; S227-F283 WeakPolarHBondContact O-CD2 3.42Å; S227-F283 WeakPolarHBondContact O-CE2 3.36Å
228	G	92.3	Very high	96.1	Very high	26 Å²	26	41 Å²	41	27%	0.268	23%	0.234	S	C	.	.	S	Bend	trans	-85.1	149.5	-176.9	0	0	0	0	0	113.9	M225 A226 P230	M225-G228 PolarHBondContact O-N 2.79Å; A226-G228 VanDerWaalsContact C-N 3.29Å; G228-P230 WeakPolarHBondContact O-CD 3.47Å
229	A	94.8	Very high	96.1	Very high	8 Å²	8	41.7 Å²	41.7	7%	0.066	24%	0.24	C	C	.	.			trans	-66.7	122.2	175.5	0	0	0	0	0	110	M231 S232 I233 D267 F283	A229-M231 VanDerWaalsContact C-N 3.31Å; A229-M231 PolarHBondContact O-N 2.87Å; A229-S232 WeakPolarHBondContact O-CB 3.27Å; A229-S232 PolarHBondContact O-N 3.34Å; A229-I233 PolarHBondContact O-N 2.83Å; A229-I233 VanDerWaalsContact O-N 3.08Å; A229-D267 HydrophobicContact CB-CB 4.25Å; A229-F283 VanDerWaalsContact CA-CD2 3.47Å; A229-F283 HydrophobicContact CB-CB 4.23Å; A229-F283 HydrophobicContact CB-CD1 3.85Å; A229-F283 HydrophobicContact CB-CD2 3.8Å; A229-F283 HydrophobicContact CB-CE1 4.09Å; A229-F283 HydrophobicContact CB-CE2 4.02Å; A229-F283 HydrophobicContact CB-CG 3.69Å; A229-F283 HydrophobicContact CB-CZ 4.16Å; A229-F283 VanDerWaalsContact N-CD2 3.25Å
230	P	93.3	Very high	96	Very high	17 Å²	17	45.7 Å²	45.7	11%	0.11	26%	0.26	C	S	.	.	H	α-helix	trans	-57.8	-40.5	-172	-26.9	33.7	0	0	0	113.7	K72 G228 I233 R234	K72-P230 HydrophobicContact CD-CB 4.24Å; K72-P230 HydrophobicContact CD-CG 4.2Å; G228-P230 WeakPolarHBondContact O-CD 3.47Å; P230-I233 PolarHBondContact O-N 3.47Å; P230-R234 VanDerWaalsContact O-CG 3.26Å; P230-R234 WeakPolarHBondContact O-CG 3.48Å; P230-R234 PolarHBondContact O-N 2.75Å; P230-R234 VanDerWaalsContact O-N 3.09Å
231	M	95.4	Very high	96	Very high	55 Å²	55	43.8 Å²	43.8	27%	0.271	25%	0.252	S	S	.	.	H	α-helix	trans	-70.4	-33.9	178.7	-72.2	-54.9	-59.8	0	0	112.3	A229 R234 M235 L265	A229-M231 VanDerWaalsContact C-N 3.31Å; A229-M231 PolarHBondContact O-N 2.87Å; M231-R234 PolarHBondContact O-N 2.91Å; M231-M235 HydrophobicContact CE-CE 4.32Å; M231-M235 WeakPolarHBondContact O-CB 3.48Å; M231-M235 VanDerWaalsContact O-CG 3.24Å; M231-M235 WeakPolarHBondContact O-CG 3.28Å; M231-M235 PolarHBondContact O-N 3.14Å; M231-L265 HydrophobicContact CB-CD1 3.45Å; M231-L265 VanDerWaalsContact CB-CD1 3.45Å; M231-L265 HydrophobicContact CG-CD1 3.87Å
232	S	97	Very high	96	Very high	39 Å²	39	46.5 Å²	46.5	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-63.5	-45.3	173.7	-58.9	0	0	0	0	111.3	A229 R234 M235 S236	A229-S232 WeakPolarHBondContact O-CB 3.27Å; A229-S232 PolarHBondContact O-N 3.34Å; S232-R234 PolarHBondContact O-N 3.32Å; S232-M235 PolarHBondContact O-N 3.16Å; S232-S236 WeakPolarHBondContact O-CB 3.37Å; S232-S236 PolarHBondContact O-N 3.11Å; S232-S236 PolarHBondContact O-OG 3.36Å
233	I	96.8	Very high	96	Very high	50 Å²	50	47 Å²	47	26%	0.256	27%	0.273	S	S	.	.	H	α-helix	trans	-59.5	-47.8	176.4	-65.5	170.2	0	0	0	110.9	P121 A229 P230 M235 S236 K237	P121-I233 HydrophobicContact CG-CG2 3.48Å; P121-I233 VanDerWaalsContact CG-CG2 3.48Å; A229-I233 PolarHBondContact O-N 2.83Å; A229-I233 VanDerWaalsContact O-N 3.08Å; P230-I233 PolarHBondContact O-N 3.47Å; I233-M235 PolarHBondContact O-N 2.9Å; I233-S236 PolarHBondContact O-N 3.09Å; I233-K237 PolarHBondContact O-N 3.23Å
234	R	96.8	Very high	96	Very high	33 Å²	33	50.1 Å²	50.1	13%	0.125	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-44.7	-179.5	-67.9	177.3	173.7	-138	0	112.1	R69 C71 P119 P230 M231 S232 K237 E238	R69-R234 PolarHBondContact O-NH2 3.41Å; C71-R234 PolarHBondContact O-NH2 3.33Å; P119-R234 HydrophobicContact CB-CG 4.36Å; P119-R234 WeakPolarHBondContact O-CA 3.15Å; P119-R234 WeakPolarHBondContact O-CB 3.29Å; P119-R234 VanDerWaalsContact O-CG 3.28Å; P119-R234 WeakPolarHBondContact O-CG 3.46Å; P230-R234 VanDerWaalsContact O-CG 3.26Å; P230-R234 WeakPolarHBondContact O-CG 3.48Å; P230-R234 PolarHBondContact O-N 2.75Å; P230-R234 VanDerWaalsContact O-N 3.09Å; M231-R234 PolarHBondContact O-N 2.91Å; S232-R234 PolarHBondContact O-N 3.32Å; R234-K237 PolarHBondContact O-N 2.85Å; R234-E238 PolarHBondContact O-N 3.41Å
235	M	97.7	Very high	96	Very high	15 Å²	15	50.6 Å²	50.6	7%	0.074	29%	0.288	C	S	.	.	H	α-helix	trans	-70.1	-34.8	178.6	-67.8	-56.3	91.8	0	0	112.4	M231 S232 I233 K237 E238 A239 C258 K261 I262	M231-M235 HydrophobicContact CE-CE 4.32Å; M231-M235 WeakPolarHBondContact O-CB 3.48Å; M231-M235 VanDerWaalsContact O-CG 3.24Å; M231-M235 WeakPolarHBondContact O-CG 3.28Å; M231-M235 PolarHBondContact O-N 3.14Å; S232-M235 PolarHBondContact O-N 3.16Å; I233-M235 PolarHBondContact O-N 2.9Å; M235-K237 VanDerWaalsContact C-N 3.35Å; M235-E238 WeakPolarHBondContact CE-OE2 3.17Å; M235-E238 PolarHBondContact O-N 3.32Å; M235-A239 WeakPolarHBondContact O-CB 3.14Å; M235-A239 PolarHBondContact O-N 2.98Å; M235-C258 HydrophobicContact CB-CB 4.19Å; M235-K261 HydrophobicContact SD-CB 4.12Å; M235-K261 HydrophobicContact SD-CD 3.39Å; M235-K261 WeakPolarHBondContact SD-CD 3.45Å; M235-K261 HydrophobicContact SD-CG 4.39Å; M235-I262 HydrophobicContact CB-CD1 3.92Å; M235-I262 HydrophobicContact CB-CG1 4.15Å; M235-I262 HydrophobicContact CG-CD1 4.35Å; M235-I262 HydrophobicContact CG-CG1 4.01Å
236	S	98.3	Very high	96.1	Very high	63 Å²	63	51.3 Å²	51.3	44%	0.441	30%	0.295	S	S	.	.	H	α-helix	trans	-62	-43.3	171.7	-65.3	0	0	0	0	111.4	S232 I233 A239 I240	S232-S236 WeakPolarHBondContact O-CB 3.37Å; S232-S236 PolarHBondContact O-N 3.11Å; S232-S236 PolarHBondContact O-OG 3.36Å; I233-S236 PolarHBondContact O-N 3.09Å; S236-A239 PolarHBondContact O-N 2.98Å; S236-I240 WeakPolarHBondContact O-CB 3.25Å; S236-I240 WeakPolarHBondContact O-CD1 3.48Å; S236-I240 VanDerWaalsContact O-CG1 3.23Å; S236-I240 WeakPolarHBondContact O-CG1 3.45Å; S236-I240 PolarHBondContact O-N 2.82Å
237	K	98.3	Very high	96.5	Very high	21 Å²	21	53.5 Å²	53.5	9%	0.091	30%	0.299	C	S	.	.	H	α-helix	trans	-60.3	-48.2	175.5	-179.3	171.8	176.4	174.8	0	111.6	E116 L118 M120 D142 I233 R234 M235 A239 I240 M241	E116-K237 WeakPolarHBondContact O-CE 3.36Å; E116-K237 PolarHBondContact O-NZ 2.89Å; L118-K237 WeakPolarHBondContact O-CD 3.42Å; L118-K237 WeakPolarHBondContact O-CE 3.43Å; L118-K237 PolarHBondContact O-NZ 3.02Å; M120-K237 PolarHBondContact O-NZ 3.4Å; M120-K237 VanDerWaalsContact O-NZ 3.1Å; D142-K237 VanDerWaalsContact OD1-CE 3.26Å; D142-K237 WeakPolarHBondContact OD1-CE 3.15Å; D142-K237 IonicContact OD1-NZ 3.51Å; D142-K237 PolarHBondContact OD1-NZ 2.95Å; D142-K237 WeakPolarHBondContact OD2-CE 3.32Å; D142-K237 IonicContact OD2-NZ 3.48Å; D142-K237 PolarHBondContact OD2-NZ 2.81Å; I233-K237 PolarHBondContact O-N 3.23Å; R234-K237 PolarHBondContact O-N 2.85Å; M235-K237 VanDerWaalsContact C-N 3.35Å; K237-A239 VanDerWaalsContact C-N 3.33Å; K237-A239 PolarHBondContact O-N 2.9Å; K237-I240 PolarHBondContact O-N 3.09Å; K237-M241 VanDerWaalsContact O-CB 3.31Å; K237-M241 WeakPolarHBondContact O-CB 3.27Å; K237-M241 PolarHBondContact O-N 2.78Å
238	E	98	Very high	96.9	Very high	64 Å²	64	55.9 Å²	55.9	30%	0.299	31%	0.305	S	S	.	.	H	α-helix	trans	-58.9	-43.3	177.6	-172.2	179.4	145.1	0	0	111.9	R234 M235 N242 K261	R234-E238 PolarHBondContact O-N 3.41Å; M235-E238 WeakPolarHBondContact CE-OE2 3.17Å; M235-E238 PolarHBondContact O-N 3.32Å; E238-N242 WeakPolarHBondContact O-CB 3.4Å; E238-N242 PolarHBondContact O-N 3.35Å; E238-N242 PolarHBondContact O-ND2 3.24Å; E238-K261 IonicContact OE1-NZ 2.84Å; E238-K261 PolarHBondContact OE1-NZ 2.99Å; E238-K261 IonicContact OE2-NZ 3.75Å
239	A	98.5	Very high	97.2	Very high	14 Å²	14	62.9 Å²	62.9	12%	0.116	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-45.5	178.4	0	0	0	0	0	112.4	M235 S236 K237 G243 E255 C258	M235-A239 WeakPolarHBondContact O-CB 3.14Å; M235-A239 PolarHBondContact O-N 2.98Å; S236-A239 PolarHBondContact O-N 2.98Å; K237-A239 VanDerWaalsContact C-N 3.33Å; K237-A239 PolarHBondContact O-N 2.9Å; A239-G243 VanDerWaalsContact O-CA 3.28Å; A239-G243 WeakPolarHBondContact O-CA 3.31Å; A239-G243 PolarHBondContact O-N 2.9Å; A239-E255 HydrophobicContact CB-CB 4.48Å; A239-C258 HydrophobicContact CB-CB 4.03Å
240	I	98.3	Very high	97.4	Very high	113 Å²	113	65.4 Å²	65.4	58%	0.579	34%	0.342	S	S	*	.	H	α-helix	trans	-65.1	-52.5	179.6	-68.7	163.2	0	0	0	110.4	S236 K237 N242 G243 Q244	S236-I240 WeakPolarHBondContact O-CB 3.25Å; S236-I240 WeakPolarHBondContact O-CD1 3.48Å; S236-I240 VanDerWaalsContact O-CG1 3.23Å; S236-I240 WeakPolarHBondContact O-CG1 3.45Å; S236-I240 PolarHBondContact O-N 2.82Å; K237-I240 PolarHBondContact O-N 3.09Å; I240-N242 PolarHBondContact O-N 3.43Å; I240-G243 PolarHBondContact O-N 3.48Å; I240-Q244 VanDerWaalsContact O-CB 3.27Å; I240-Q244 WeakPolarHBondContact O-CB 3.35Å; I240-Q244 PolarHBondContact O-N 3.26Å
241	M	97.2	Very high	97.7	Very high	46 Å²	46	65.1 Å²	65.1	23%	0.227	34%	0.343	C	S	.	.	H	α-helix	trans	-61.5	-47.1	-172.8	-176.4	-177.5	68.3	0	0	111.8	E116 K237	E116-M241 HydrophobicContact CG-SD 4.32Å; K237-M241 VanDerWaalsContact O-CB 3.31Å; K237-M241 WeakPolarHBondContact O-CB 3.27Å; K237-M241 PolarHBondContact O-N 2.78Å
242	N	97.6	Very high	97.8	Very high	67 Å²	67	66.9 Å²	66.9	36%	0.358	35%	0.352	S	S	.	.	H	α-helix	trans	-79.7	-38.4	-179.2	-64.4	-46.2	0	0	0	111.9	E238 I240 Q244 Q245 I254	E238-N242 WeakPolarHBondContact O-CB 3.4Å; E238-N242 PolarHBondContact O-N 3.35Å; E238-N242 PolarHBondContact O-ND2 3.24Å; I240-N242 PolarHBondContact O-N 3.43Å; N242-Q244 VanDerWaalsContact C-N 3.31Å; N242-Q244 PolarHBondContact O-N 2.86Å; N242-Q245 PolarHBondContact O-N 2.76Å; N242-I254 HydrophobicContact CB-CD1 4.16Å; N242-I254 HydrophobicContact CB-CG2 4.1Å
243	G	98.1	Very high	97.9	Very high	15 Å²	15	67.4 Å²	67.4	16%	0.155	36%	0.36	C	S	.	.	H	α-helix	trans	-64.7	-32.4	179.9	0	0	0	0	0	113.5	A239 I240 Q245 V246	A239-G243 VanDerWaalsContact O-CA 3.28Å; A239-G243 WeakPolarHBondContact O-CA 3.31Å; A239-G243 PolarHBondContact O-N 2.9Å; I240-G243 PolarHBondContact O-N 3.48Å; G243-Q245 PolarHBondContact O-N 3.07Å; G243-V246 VanDerWaalsContact O-CG2 3.26Å; G243-V246 WeakPolarHBondContact O-CG2 3.39Å; G243-V246 PolarHBondContact O-N 3.08Å
244	Q	96.3	Very high	98	Very high	119 Å²	119	66.5 Å²	66.5	56%	0.556	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.9	177.6	-173	176.6	-5.1	0	0	113.5	I240 N242	I240-Q244 VanDerWaalsContact O-CB 3.27Å; I240-Q244 WeakPolarHBondContact O-CB 3.35Å; I240-Q244 PolarHBondContact O-N 3.26Å; N242-Q244 VanDerWaalsContact C-N 3.31Å; N242-Q244 PolarHBondContact O-N 2.86Å
245	Q	95.9	Very high	98.1	Very high	117 Å²	117	70.3 Å²	70.3	55%	0.547	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	0.5	-177.8	-54.1	-53.4	-42.3	0	0	113.8	N242 G243	N242-Q245 PolarHBondContact O-N 2.76Å; G243-Q245 PolarHBondContact O-N 3.07Å
246	V	98.2	Very high	98.1	Very high	60 Å²	60	72.4 Å²	72.4	36%	0.364	39%	0.394	S	S	.	.	S	Bend	trans	-129.2	173.1	-173.8	-63.4	0	0	0	0	111.1	G243 T250 I254	G243-V246 VanDerWaalsContact O-CG2 3.26Å; G243-V246 WeakPolarHBondContact O-CG2 3.39Å; G243-V246 PolarHBondContact O-N 3.08Å; V246-T250 HydrophobicContact CB-CG2 3.91Å; V246-T250 HydrophobicContact CG1-CG2 4.08Å; V246-T250 HydrophobicContact CG2-CG2 3.84Å; V246-I254 HydrophobicContact CG2-CD1 3.93Å
247	D	98.4	Very high	98.1	Very high	92 Å²	92	75.5 Å²	75.5	49%	0.492	40%	0.401	S	S	.	.			trans	-64.7	157.5	170.1	73	92.6	0	0	0	111.1	K249 T250 G251	D247-K249 VanDerWaalsContact C-N 3.26Å; D247-K249 PolarHBondContact O-N 2.84Å; D247-K249 VanDerWaalsContact O-N 3.16Å; D247-K249 WeakPolarHBondContact OD1-CA 3.28Å; D247-K249 VanDerWaalsContact OD1-CB 3.28Å; D247-K249 WeakPolarHBondContact OD1-CB 3.24Å; D247-K249 PolarHBondContact OD1-N 3.35Å; D247-T250 PolarHBondContact O-N 2.98Å; D247-T250 VanDerWaalsContact O-N 3.13Å; D247-T250 PolarHBondContact OD1-N 3.29Å; D247-T250 VanDerWaalsContact OD1-N 3.14Å; D247-T250 VanDerWaalsContact OD2-CB 3.29Å; D247-T250 WeakPolarHBondContact OD2-CB 3.49Å; D247-T250 PolarHBondContact OD2-OG1 3.01Å; D247-G251 PolarHBondContact O-N 2.81Å
248	L	98.4	Very high	98.2	Very high	140 Å²	140	74.7 Å²	74.7	73%	0.733	40%	0.398	S	S	*	.	H	α-helix	trans	-55.6	-38	-174.7	179.9	61.3	0	0	0	113.3	G251 L252	L248-G251 PolarHBondContact O-N 3.3Å; L248-L252 HydrophobicContact CD1-CD1 4.4Å; L248-L252 HydrophobicContact CD1-CG 4.25Å; L248-L252 HydrophobicContact CG-CD1 4.23Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.46Å; L248-L252 PolarHBondContact O-N 3.44Å
249	K	98.7	Very high	98.2	Very high	173 Å²	173	77.8 Å²	77.8	75%	0.752	41%	0.408	S	S	*	.	H	α-helix	trans	-67.7	-44	-178.5	-178	-175.9	176.6	-177.1	0	110.6	D247 G251 L252 A253	D247-K249 VanDerWaalsContact C-N 3.26Å; D247-K249 PolarHBondContact O-N 2.84Å; D247-K249 VanDerWaalsContact O-N 3.16Å; D247-K249 WeakPolarHBondContact OD1-CA 3.28Å; D247-K249 VanDerWaalsContact OD1-CB 3.28Å; D247-K249 WeakPolarHBondContact OD1-CB 3.24Å; D247-K249 PolarHBondContact OD1-N 3.35Å; K249-G251 VanDerWaalsContact C-N 3.34Å; K249-L252 PolarHBondContact O-N 3Å; K249-A253 PolarHBondContact O-N 3.23Å
250	T	98.7	Very high	98.2	Very high	61 Å²	61	80.3 Å²	80.3	37%	0.374	43%	0.425	S	S	.	.	H	α-helix	trans	-65.4	-39.7	174.6	-55.6	0	0	0	0	111.1	V246 D247 L252 A253 I254	V246-T250 HydrophobicContact CB-CG2 3.91Å; V246-T250 HydrophobicContact CG1-CG2 4.08Å; V246-T250 HydrophobicContact CG2-CG2 3.84Å; D247-T250 PolarHBondContact O-N 2.98Å; D247-T250 VanDerWaalsContact O-N 3.13Å; D247-T250 PolarHBondContact OD1-N 3.29Å; D247-T250 VanDerWaalsContact OD1-N 3.14Å; D247-T250 VanDerWaalsContact OD2-CB 3.29Å; D247-T250 WeakPolarHBondContact OD2-CB 3.49Å; D247-T250 PolarHBondContact OD2-OG1 3.01Å; T250-L252 PolarHBondContact O-N 2.97Å; T250-A253 WeakPolarHBondContact O-CB 3.33Å; T250-A253 PolarHBondContact O-N 2.76Å; T250-A253 VanDerWaalsContact O-N 3.13Å; T250-I254 HydrophobicContact CG2-CD1 4.45Å; T250-I254 WeakPolarHBondContact O-CG1 3.43Å; T250-I254 PolarHBondContact O-N 2.92Å
251	G	98.6	Very high	98.1	Very high	11 Å²	11	79.6 Å²	79.6	11%	0.113	42%	0.418	C	S	.	.	H	α-helix	trans	-59.8	-43.8	176	0	0	0	0	0	113.1	D247 L248 K249 A253 I254 E255	D247-G251 PolarHBondContact O-N 2.81Å; L248-G251 PolarHBondContact O-N 3.3Å; K249-G251 VanDerWaalsContact C-N 3.34Å; G251-A253 VanDerWaalsContact C-N 3.29Å; G251-A253 PolarHBondContact O-N 3.37Å; G251-I254 WeakPolarHBondContact O-CB 3.28Å; G251-I254 PolarHBondContact O-N 3.3Å; G251-E255 PolarHBondContact O-N 3.22Å
252	L	98.7	Very high	98	Very high	91 Å²	91	78.2 Å²	78.2	48%	0.476	41%	0.411	S	S	.	.	H	α-helix	trans	-64.3	-32.9	174.8	-70.1	170.9	0	0	0	112.6	L248 K249 T250 E255 A256	L248-L252 HydrophobicContact CD1-CD1 4.4Å; L248-L252 HydrophobicContact CD1-CG 4.25Å; L248-L252 HydrophobicContact CG-CD1 4.23Å; L248-L252 VanDerWaalsContact O-CG 3.3Å; L248-L252 WeakPolarHBondContact O-CG 3.46Å; L248-L252 PolarHBondContact O-N 3.44Å; K249-L252 PolarHBondContact O-N 3Å; T250-L252 PolarHBondContact O-N 2.97Å; L252-E255 PolarHBondContact O-N 2.62Å; L252-A256 WeakPolarHBondContact O-CB 3.5Å; L252-A256 PolarHBondContact O-N 3.48Å
253	A	98.7	Very high	98	Very high	51 Å²	51	79 Å²	79	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-67.8	-40.1	174.2	0	0	0	0	0	111.8	K249 T250 G251 A256 Q257	K249-A253 PolarHBondContact O-N 3.23Å; T250-A253 WeakPolarHBondContact O-CB 3.33Å; T250-A253 PolarHBondContact O-N 2.76Å; T250-A253 VanDerWaalsContact O-N 3.13Å; G251-A253 VanDerWaalsContact C-N 3.29Å; G251-A253 PolarHBondContact O-N 3.37Å; A253-A256 PolarHBondContact O-N 3.36Å; A253-Q257 WeakPolarHBondContact O-CG 3.42Å; A253-Q257 PolarHBondContact O-N 3.1Å; A253-Q257 VanDerWaalsContact O-N 3.07Å
254	I	98.7	Very high	98	Very high	31 Å²	31	82.9 Å²	82.9	16%	0.159	44%	0.437	C	S	.	.	H	α-helix	trans	-61.8	-46.2	173.1	-65.3	166.6	0	0	0	110.1	N242 V246 T250 G251 A256 Q257 C258	N242-I254 HydrophobicContact CB-CD1 4.16Å; N242-I254 HydrophobicContact CB-CG2 4.1Å; V246-I254 HydrophobicContact CG2-CD1 3.93Å; T250-I254 HydrophobicContact CG2-CD1 4.45Å; T250-I254 WeakPolarHBondContact O-CG1 3.43Å; T250-I254 PolarHBondContact O-N 2.92Å; G251-I254 WeakPolarHBondContact O-CB 3.28Å; G251-I254 PolarHBondContact O-N 3.3Å; I254-A256 PolarHBondContact O-N 3.48Å; I254-Q257 WeakPolarHBondContact O-CB 3.33Å; I254-Q257 PolarHBondContact O-N 3.28Å; I254-Q257 VanDerWaalsContact O-N 3.15Å; I254-C258 PolarHBondContact O-N 2.85Å; I254-C258 PolarHBondContact O-SG 3.25Å
255	E	98.7	Very high	98	Very high	113 Å²	113	78.6 Å²	78.6	53%	0.528	42%	0.418	S	S	.	.	H	α-helix	trans	-56.7	-47.7	176.6	-176.8	-178.5	96.6	0	0	111.7	A239 G251 L252 Q257 C258 Y259	A239-E255 HydrophobicContact CB-CB 4.48Å; G251-E255 PolarHBondContact O-N 3.22Å; L252-E255 PolarHBondContact O-N 2.62Å; E255-Q257 VanDerWaalsContact C-N 3.29Å; E255-Q257 PolarHBondContact O-N 2.87Å; E255-C258 PolarHBondContact O-N 3Å; E255-Y259 WeakPolarHBondContact O-CB 3.4Å; E255-Y259 PolarHBondContact O-N 2.88Å
256	A	98.7	Very high	98.1	Very high	59 Å²	59	80.7 Å²	80.7	49%	0.488	42%	0.42	S	S	.	.	H	α-helix	trans	-60.2	-39	177.7	0	0	0	0	0	112.3	L252 A253 I254 Y259 S260	L252-A256 WeakPolarHBondContact O-CB 3.5Å; L252-A256 PolarHBondContact O-N 3.48Å; A253-A256 PolarHBondContact O-N 3.36Å; I254-A256 PolarHBondContact O-N 3.48Å; A256-Y259 PolarHBondContact O-N 3.44Å; A256-S260 WeakPolarHBondContact O-CB 3.44Å; A256-S260 PolarHBondContact O-N 2.66Å
257	Q	98.5	Very high	98	Very high	128 Å²	128	78.2 Å²	78.2	60%	0.598	41%	0.405	S	S	*	.	H	α-helix	trans	-64.4	-47.1	175.2	-72.6	177.2	-2.6	0	0	111.5	A253 I254 E255 Y259 S260	A253-Q257 WeakPolarHBondContact O-CG 3.42Å; A253-Q257 PolarHBondContact O-N 3.1Å; A253-Q257 VanDerWaalsContact O-N 3.07Å; I254-Q257 WeakPolarHBondContact O-CB 3.33Å; I254-Q257 PolarHBondContact O-N 3.28Å; I254-Q257 VanDerWaalsContact O-N 3.15Å; E255-Q257 VanDerWaalsContact C-N 3.29Å; E255-Q257 PolarHBondContact O-N 2.87Å; Q257-Y259 VanDerWaalsContact C-N 3.34Å; Q257-Y259 PolarHBondContact O-N 3.29Å; Q257-S260 PolarHBondContact O-N 3.46Å; Q257-S260 PolarHBondContact O-OG 3Å
258	C	98.4	Very high	98	Very high	4 Å²	4	78.4 Å²	78.4	3%	0.027	40%	0.399	C	S	.	.	H	α-helix	trans	-59.7	-43.7	175.1	-70.1	0	0	0	0	111.7	M235 A239 I254 E255 S260 K261	M235-C258 HydrophobicContact CB-CB 4.19Å; A239-C258 HydrophobicContact CB-CB 4.03Å; I254-C258 PolarHBondContact O-N 2.85Å; I254-C258 PolarHBondContact O-SG 3.25Å; E255-C258 PolarHBondContact O-N 3Å; C258-S260 PolarHBondContact O-N 2.97Å; C258-K261 WeakPolarHBondContact O-CB 3.35Å; C258-K261 PolarHBondContact O-N 2.79Å
259	Y	98.3	Very high	97.9	Very high	129 Å²	129	76.1 Å²	76.1	51%	0.506	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-37.6	178.6	-163.2	-80.2	0	0	0	112.2	E255 A256 Q257 K261 I262 I263	E255-Y259 WeakPolarHBondContact O-CB 3.4Å; E255-Y259 PolarHBondContact O-N 2.88Å; A256-Y259 PolarHBondContact O-N 3.44Å; Q257-Y259 VanDerWaalsContact C-N 3.34Å; Q257-Y259 PolarHBondContact O-N 3.29Å; Y259-K261 PolarHBondContact O-N 3.49Å; Y259-I262 WeakPolarHBondContact O-CA 3.2Å; Y259-I262 WeakPolarHBondContact O-CB 3.31Å; Y259-I262 PolarHBondContact O-N 3.11Å; Y259-I263 HydrophobicContact CD1-CD1 4.08Å; Y259-I263 HydrophobicContact CD1-CG1 3.83Å; Y259-I263 HydrophobicContact CE1-CD1 4.29Å; Y259-I263 HydrophobicContact CE1-CG1 3.83Å; Y259-I263 PolarHBondContact O-N 3.42Å
260	S	98.2	Very high	97.9	Very high	67 Å²	67	69.6 Å²	69.6	47%	0.469	36%	0.358	S	S	.	.	H	α-helix	trans	-59.8	-29.9	179.1	74.8	0	0	0	0	113.1	A256 Q257 C258 I262 P264	A256-S260 WeakPolarHBondContact O-CB 3.44Å; A256-S260 PolarHBondContact O-N 2.66Å; Q257-S260 PolarHBondContact O-N 3.46Å; Q257-S260 PolarHBondContact O-OG 3Å; C258-S260 PolarHBondContact O-N 2.97Å; S260-I262 VanDerWaalsContact C-N 3.27Å; S260-I262 PolarHBondContact O-N 2.93Å; S260-P264 WeakPolarHBondContact O-CD 3.39Å
261	K	96.8	Very high	97.8	Very high	98 Å²	98	67.8 Å²	67.8	43%	0.426	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-22.5	173	-61.9	169.3	178.8	173.9	0	113	M235 E238 C258 Y259 L265	M235-K261 HydrophobicContact SD-CB 4.12Å; M235-K261 HydrophobicContact SD-CD 3.39Å; M235-K261 WeakPolarHBondContact SD-CD 3.45Å; M235-K261 HydrophobicContact SD-CG 4.39Å; E238-K261 IonicContact OE1-NZ 2.84Å; E238-K261 PolarHBondContact OE1-NZ 2.99Å; E238-K261 IonicContact OE2-NZ 3.75Å; C258-K261 WeakPolarHBondContact O-CB 3.35Å; C258-K261 PolarHBondContact O-N 2.79Å; Y259-K261 PolarHBondContact O-N 3.49Å; K261-L265 WeakPolarHBondContact O-CG 3.27Å
262	I	96.6	Very high	97.7	Very high	17 Å²	17	72.3 Å²	72.3	9%	0.087	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-33.6	179.7	-56.7	171.8	0	0	0	111.7	M235 Y259 S260 P264 L265 R268	M235-I262 HydrophobicContact CB-CD1 3.92Å; M235-I262 HydrophobicContact CB-CG1 4.15Å; M235-I262 HydrophobicContact CG-CD1 4.35Å; M235-I262 HydrophobicContact CG-CG1 4.01Å; Y259-I262 WeakPolarHBondContact O-CA 3.2Å; Y259-I262 WeakPolarHBondContact O-CB 3.31Å; Y259-I262 PolarHBondContact O-N 3.11Å; S260-I262 VanDerWaalsContact C-N 3.27Å; S260-I262 PolarHBondContact O-N 2.93Å; I262-P264 VanDerWaalsContact C-CD 3.44Å; I262-L265 WeakPolarHBondContact O-CB 3.12Å; I262-L265 PolarHBondContact O-N 3.3Å; I262-R268 HydrophobicContact CG2-CB 4.49Å
263	I	97.4	Very high	97.6	Very high	82 Å²	82	71.5 Å²	71.5	42%	0.421	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-47.3	-175.4	-66.2	175.4	0	0	0	114.2	Y259 L265 R268	Y259-I263 HydrophobicContact CD1-CD1 4.08Å; Y259-I263 HydrophobicContact CD1-CG1 3.83Å; Y259-I263 HydrophobicContact CE1-CD1 4.29Å; Y259-I263 HydrophobicContact CE1-CG1 3.83Å; Y259-I263 PolarHBondContact O-N 3.42Å; I263-L265 VanDerWaalsContact C-N 3.3Å; I263-L265 PolarHBondContact O-N 3.26Å; I263-R268 PolarHBondContact O-NH1 2.69Å
264	P	97	Very high	97.6	Very high	97 Å²	97	69.1 Å²	69.1	63%	0.63	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6.4	-176.6	33.4	-37	0	0	0	114	S260 I262	S260-P264 WeakPolarHBondContact O-CD 3.39Å; I262-P264 VanDerWaalsContact C-CD 3.44Å
265	L	97	Very high	97.5	Very high	30 Å²	30	76.1 Å²	76.1	16%	0.157	38%	0.379	C	S	.	.			trans	-72.3	141.5	-173.5	-59.2	-176.7	0	0	0	111.8	M231 K261 I262 I263 D267 R268 Q286	M231-L265 HydrophobicContact CB-CD1 3.45Å; M231-L265 VanDerWaalsContact CB-CD1 3.45Å; M231-L265 HydrophobicContact CG-CD1 3.87Å; K261-L265 WeakPolarHBondContact O-CG 3.27Å; I262-L265 WeakPolarHBondContact O-CB 3.12Å; I262-L265 PolarHBondContact O-N 3.3Å; I263-L265 VanDerWaalsContact C-N 3.3Å; I263-L265 PolarHBondContact O-N 3.26Å; L265-D267 VanDerWaalsContact C-N 3.26Å; L265-D267 PolarHBondContact O-N 3.18Å; L265-R268 WeakPolarHBondContact O-CB 3.33Å; L265-R268 PolarHBondContact O-N 3.03Å; L265-Q286 WeakPolarHBondContact CA-OXT 3.5Å
266	R	97.2	Very high	97.4	Very high	160 Å²	160	79 Å²	79	60%	0.604	39%	0.39	S	S	*	.	H	α-helix	trans	-64.9	-32.9	176.9	-63.8	178.1	175.7	171.8	-3.1	111.8	R268 I269 E270 Q286	R266-R268 PolarHBondContact O-N 2.72Å; R266-I269 WeakPolarHBondContact O-CB 3.45Å; R266-I269 PolarHBondContact O-N 2.72Å; R266-E270 WeakPolarHBondContact O-CB 3.28Å; R266-E270 PolarHBondContact O-N 2.94Å; R266-Q286 CarbonylContact C-O 3.56Å; R266-Q286 WeakPolarHBondContact CA-O 3.27Å; R266-Q286 HydrophobicContact CB-CG 4.39Å; R266-Q286 WeakPolarHBondContact CB-O 3.42Å; R266-Q286 VanDerWaalsContact N-C 3.27Å; R266-Q286 PolarHBondContact N-O 3.33Å; R266-Q286 PolarHBondContact N-OXT 3.23Å
267	D	97	Very high	97.4	Very high	8 Å²	8	81.5 Å²	81.5	4%	0.043	39%	0.392	C	S	.	.	H	α-helix	trans	-57.7	-36.8	175.3	-80.2	0.2	0	0	0	111.6	A229 L265 E270 G271 F283 K284 G285 Q286	A229-D267 HydrophobicContact CB-CB 4.25Å; L265-D267 VanDerWaalsContact C-N 3.26Å; L265-D267 PolarHBondContact O-N 3.18Å; D267-E270 PolarHBondContact O-N 2.91Å; D267-G271 PolarHBondContact O-N 2.99Å; D267-F283 HydrophobicContact CB-CD1 3.7Å; D267-F283 HydrophobicContact CB-CE1 4.38Å; D267-F283 HydrophobicContact CB-CG 4.48Å; D267-F283 VanDerWaalsContact O-CE1 3.23Å; D267-F283 WeakPolarHBondContact O-CE1 3.32Å; D267-F283 WeakPolarHBondContact OD1-CA 3.49Å; D267-K284 PolarHBondContact OD1-N 3.33Å; D267-K284 PolarHBondContact OD2-N 3.41Å; D267-G285 WeakPolarHBondContact OD2-CA 3.33Å; D267-G285 PolarHBondContact OD2-N 2.8Å; D267-Q286 PolarHBondContact N-O 3.15Å
268	R	97.5	Very high	97.3	Very high	97 Å²	97	84.9 Å²	84.9	37%	0.366	40%	0.404	S	S	.	.	H	α-helix	trans	-62.8	-46	174.6	178.6	-179.9	166.1	-101.2	-6.7	110.9	I262 I263 L265 R266 G271 L272	I262-R268 HydrophobicContact CG2-CB 4.49Å; I263-R268 PolarHBondContact O-NH1 2.69Å; L265-R268 WeakPolarHBondContact O-CB 3.33Å; L265-R268 PolarHBondContact O-N 3.03Å; R266-R268 PolarHBondContact O-N 2.72Å; R268-G271 PolarHBondContact O-N 2.88Å; R268-L272 WeakPolarHBondContact O-CG 3.28Å; R268-L272 PolarHBondContact O-N 3.32Å
269	I	96.9	Very high	97.2	Very high	92 Å²	92	89.2 Å²	89.2	47%	0.472	42%	0.42	S	S	.	.	H	α-helix	trans	-63.4	-44.9	178.7	-58.5	175.3	0	0	0	110.2	R266 G271 L272 L273	R266-I269 WeakPolarHBondContact O-CB 3.45Å; R266-I269 PolarHBondContact O-N 2.72Å; I269-G271 VanDerWaalsContact C-N 3.34Å; I269-G271 PolarHBondContact O-N 3.24Å; I269-L272 PolarHBondContact O-N 3.08Å; I269-L273 HydrophobicContact CG2-CD1 3.88Å; I269-L273 HydrophobicContact CG2-CG 4.27Å; I269-L273 WeakPolarHBondContact O-CG 3.4Å; I269-L273 PolarHBondContact O-N 2.88Å
270	E	97.5	Very high	97	Very high	35 Å²	35	92 Å²	92	16%	0.164	44%	0.435	C	S	.	.	H	α-helix	trans	-58.4	-43	176.1	167.4	58.1	-170.6	0	0	112.2	R266 D267 L272 L273 A274 R279 P281 I282 F283	R266-E270 WeakPolarHBondContact O-CB 3.28Å; R266-E270 PolarHBondContact O-N 2.94Å; D267-E270 PolarHBondContact O-N 2.91Å; E270-L272 VanDerWaalsContact C-N 3.35Å; E270-L272 PolarHBondContact O-N 3.38Å; E270-L273 PolarHBondContact O-N 3Å; E270-A274 WeakPolarHBondContact O-CB 3.39Å; E270-A274 PolarHBondContact O-N 3.47Å; E270-R279 IonicContact OE1-CZ 3.49Å; E270-R279 IonicContact OE1-NH1 2.7Å; E270-R279 PolarHBondContact OE1-NH1 3.3Å; E270-R279 IonicContact OE1-NH2 3.46Å; E270-R279 PolarHBondContact OE1-NH2 2.89Å; E270-R279 IonicContact OE2-CZ 3.35Å; E270-R279 IonicContact OE2-NH1 3Å; E270-R279 IonicContact OE2-NH2 2.78Å; E270-R279 PolarHBondContact OE2-NH2 3.47Å; E270-P281 HydrophobicContact CG-CB 4.17Å; E270-P281 WeakPolarHBondContact OE1-CA 3.42Å; E270-I282 PolarHBondContact OE1-N 3.06Å; E270-F283 HydrophobicContact CG-CD1 4.38Å; E270-F283 HydrophobicContact CG-CE1 4.44Å
271	G	96.8	Very high	96.9	Very high	24 Å²	24	91.1 Å²	91.1	25%	0.247	43%	0.427	C	S	.	.	H	α-helix	trans	-59.9	-43.5	175.3	0	0	0	0	0	112.6	D267 R268 I269 F275	D267-G271 PolarHBondContact O-N 2.99Å; R268-G271 PolarHBondContact O-N 2.88Å; I269-G271 VanDerWaalsContact C-N 3.34Å; I269-G271 PolarHBondContact O-N 3.24Å; G271-F275 WeakPolarHBondContact O-CB 3.15Å; G271-F275 PolarHBondContact O-N 3.31Å; G271-F275 VanDerWaalsContact O-N 3.09Å
272	L	97.2	Very high	96.7	Very high	106 Å²	106	92 Å²	92	56%	0.555	44%	0.436	S	S	*	.	H	α-helix	trans	-66.7	-41.9	177.3	-65.6	177.1	0	0	0	112.4	R268 I269 E270 K276	R268-L272 WeakPolarHBondContact O-CG 3.28Å; R268-L272 PolarHBondContact O-N 3.32Å; I269-L272 PolarHBondContact O-N 3.08Å; E270-L272 VanDerWaalsContact C-N 3.35Å; E270-L272 PolarHBondContact O-N 3.38Å; L272-K276 PolarHBondContact O-N 2.95Å
273	L	97.6	Very high	96.6	Very high	74 Å²	74	93.9 Å²	93.9	39%	0.387	44%	0.443	S	S	.	.	H	α-helix	trans	-66.4	-47.7	177.3	-71.5	173.4	0	0	0	111.5	I269 E270 F275 K276 E277	I269-L273 HydrophobicContact CG2-CD1 3.88Å; I269-L273 HydrophobicContact CG2-CG 4.27Å; I269-L273 WeakPolarHBondContact O-CG 3.4Å; I269-L273 PolarHBondContact O-N 2.88Å; E270-L273 PolarHBondContact O-N 3Å; L273-F275 VanDerWaalsContact C-N 3.29Å; L273-F275 PolarHBondContact O-N 3.03Å; L273-K276 WeakPolarHBondContact O-CB 3.49Å; L273-K276 PolarHBondContact O-N 3.44Å; L273-K276 VanDerWaalsContact O-N 3.12Å; L273-E277 WeakPolarHBondContact O-CB 3.4Å; L273-E277 WeakPolarHBondContact O-CG 3.42Å; L273-E277 PolarHBondContact O-N 2.95Å
274	A	97.4	Very high	96.2	Very high	1 Å²	1	97.1 Å²	97.1	1%	0.008	45%	0.454	C	S	.	.	H	α-helix	trans	-60.2	-39.1	179.4	0	0	0	0	0	112.1	E270 E277 K278 R279 P281	E270-A274 WeakPolarHBondContact O-CB 3.39Å; E270-A274 PolarHBondContact O-N 3.47Å; A274-E277 CarbonylContact O-C 3.55Å; A274-E277 PolarHBondContact O-N 3.26Å; A274-K278 PolarHBondContact O-N 3.45Å; A274-R279 HydrophobicContact CB-CG 4.08Å; A274-R279 PolarHBondContact O-N 2.92Å; A274-P281 HydrophobicContact CB-CB 3.76Å
275	F	97.1	Very high	95.7	Very high	177 Å²	177	93.9 Å²	93.9	78%	0.776	44%	0.438	S	S	*	.	H	α-helix	trans	-61.3	-47.7	173.2	179	-100	0	0	0	111.9	G271 L273 E277 K278	G271-F275 WeakPolarHBondContact O-CB 3.15Å; G271-F275 PolarHBondContact O-N 3.31Å; G271-F275 VanDerWaalsContact O-N 3.09Å; L273-F275 VanDerWaalsContact C-N 3.29Å; L273-F275 PolarHBondContact O-N 3.03Å; F275-E277 VanDerWaalsContact C-N 3.29Å; F275-E277 PolarHBondContact O-N 3.17Å; F275-K278 PolarHBondContact O-N 3.18Å
276	K	97.2	Very high	95.3	Very high	174 Å²	174	96.9 Å²	96.9	76%	0.757	45%	0.452	S	S	*	.	H	α-helix	trans	-60.7	-38.4	176.7	-175.8	-179.1	177.3	-177	0	112.2	L272 L273	L272-K276 PolarHBondContact O-N 2.95Å; L273-K276 WeakPolarHBondContact O-CB 3.49Å; L273-K276 PolarHBondContact O-N 3.44Å; L273-K276 VanDerWaalsContact O-N 3.12Å
277	E	97.8	Very high	95.2	Very high	112 Å²	112	93.8 Å²	93.8	52%	0.523	44%	0.444	S	S	.	.	H	α-helix	trans	-86.1	-3.4	-178.2	-69	171.1	-175.4	0	0	113.7	L273 A274 F275 R279	L273-E277 WeakPolarHBondContact O-CB 3.4Å; L273-E277 WeakPolarHBondContact O-CG 3.42Å; L273-E277 PolarHBondContact O-N 2.95Å; A274-E277 CarbonylContact O-C 3.55Å; A274-E277 PolarHBondContact O-N 3.26Å; F275-E277 VanDerWaalsContact C-N 3.29Å; F275-E277 PolarHBondContact O-N 3.17Å; E277-R279 VanDerWaalsContact C-N 3.27Å; E277-R279 HydrophobicContact CB-CG 4.07Å; E277-R279 PolarHBondContact O-N 3.16Å; E277-R279 IonicContact OE2-CZ 2.77Å; E277-R279 IonicContact OE2-NE 3.84Å; E277-R279 PolarHBondContact OE2-NE 3.32Å; E277-R279 IonicContact OE2-NH2 2.9Å; E277-R279 PolarHBondContact OE2-NH2 3.5Å
278	K	96.4	Very high	95.1	Very high	198 Å²	198	98.3 Å²	98.3	86%	0.861	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	38.8	-176.1	-57.5	-178.2	178.8	-179.9	0	113.6	A274 F275	A274-K278 PolarHBondContact O-N 3.45Å; F275-K278 PolarHBondContact O-N 3.18Å
279	R	96.9	Very high	95	Very high	96 Å²	96	98.3 Å²	98.3	36%	0.362	47%	0.471	S	S	.	.	S	Bend	trans	-117.6	166.5	173.2	65	171.4	180	78.4	2.9	111	E270 A274 E277	E270-R279 IonicContact OE1-CZ 3.49Å; E270-R279 IonicContact OE1-NH1 2.7Å; E270-R279 PolarHBondContact OE1-NH1 3.3Å; E270-R279 IonicContact OE1-NH2 3.46Å; E270-R279 PolarHBondContact OE1-NH2 2.89Å; E270-R279 IonicContact OE2-CZ 3.35Å; E270-R279 IonicContact OE2-NH1 3Å; E270-R279 IonicContact OE2-NH2 2.78Å; E270-R279 PolarHBondContact OE2-NH2 3.47Å; A274-R279 HydrophobicContact CB-CG 4.08Å; A274-R279 PolarHBondContact O-N 2.92Å; E277-R279 VanDerWaalsContact C-N 3.27Å; E277-R279 HydrophobicContact CB-CG 4.07Å; E277-R279 PolarHBondContact O-N 3.16Å; E277-R279 IonicContact OE2-CZ 2.77Å; E277-R279 IonicContact OE2-NE 3.84Å; E277-R279 PolarHBondContact OE2-NE 3.32Å; E277-R279 IonicContact OE2-NH2 2.9Å; E277-R279 PolarHBondContact OE2-NH2 3.5Å
280	K	94.1	Very high	94.9	Very high	187 Å²	187	98.7 Å²	98.7	81%	0.813	47%	0.47	S	S	*	.			trans	-71.3	136.6	171.2	-67.6	-177.1	177.7	-177.7	0	110
281	P	95.2	Very high	94.7	Very high	49 Å²	49	102.7 Å²	102.7	32%	0.318	49%	0.49	S	S	.	.			trans	-72	152.5	174.4	29.9	-34.2	0	0	0	111.6	E270 A274 F283	E270-P281 HydrophobicContact CG-CB 4.17Å; E270-P281 WeakPolarHBondContact OE1-CA 3.42Å; A274-P281 HydrophobicContact CB-CB 3.76Å; P281-F283 HydrophobicContact CB-CD1 4.28Å; P281-F283 HydrophobicContact CB-CD2 4.47Å; P281-F283 HydrophobicContact CB-CE1 3.67Å; P281-F283 HydrophobicContact CB-CE2 3.92Å; P281-F283 HydrophobicContact CB-CZ 3.49Å; P281-F283 VanDerWaalsContact CB-CZ 3.49Å; P281-F283 HydrophobicContact CG-CD2 4.32Å; P281-F283 HydrophobicContact CG-CE1 4.16Å; P281-F283 HydrophobicContact CG-CE2 3.52Å; P281-F283 HydrophobicContact CG-CZ 3.44Å; P281-F283 VanDerWaalsContact CG-CZ 3.44Å
282	I	93.6	Very high	94.6	Very high	117 Å²	117	107.9 Å²	107.9	60%	0.6	51%	0.506	S	S	*	.			trans	-114.8	93.5	172.3	-55.6	176.4	0	0	0	108.9	E270	E270-I282 PolarHBondContact OE1-N 3.06Å
283	F	93.8	Very high	94.4	Very high	55 Å²	55	108.1 Å²	108.1	24%	0.241	50%	0.502	C	S	.	.			trans	-80.8	134.4	178.8	-59	-50.6	0	0	0	112.1	S227 A229 D267 E270 P281	S227-F283 WeakPolarHBondContact O-CD2 3.42Å; S227-F283 WeakPolarHBondContact O-CE2 3.36Å; A229-F283 VanDerWaalsContact CA-CD2 3.47Å; A229-F283 HydrophobicContact CB-CB 4.23Å; A229-F283 HydrophobicContact CB-CD1 3.85Å; A229-F283 HydrophobicContact CB-CD2 3.8Å; A229-F283 HydrophobicContact CB-CE1 4.09Å; A229-F283 HydrophobicContact CB-CE2 4.02Å; A229-F283 HydrophobicContact CB-CG 3.69Å; A229-F283 HydrophobicContact CB-CZ 4.16Å; A229-F283 VanDerWaalsContact N-CD2 3.25Å; D267-F283 HydrophobicContact CB-CD1 3.7Å; D267-F283 HydrophobicContact CB-CE1 4.38Å; D267-F283 HydrophobicContact CB-CG 4.48Å; D267-F283 VanDerWaalsContact O-CE1 3.23Å; D267-F283 WeakPolarHBondContact O-CE1 3.32Å; D267-F283 WeakPolarHBondContact OD1-CA 3.49Å; E270-F283 HydrophobicContact CG-CD1 4.38Å; E270-F283 HydrophobicContact CG-CE1 4.44Å; P281-F283 HydrophobicContact CB-CD1 4.28Å; P281-F283 HydrophobicContact CB-CD2 4.47Å; P281-F283 HydrophobicContact CB-CE1 3.67Å; P281-F283 HydrophobicContact CB-CE2 3.92Å; P281-F283 HydrophobicContact CB-CZ 3.49Å; P281-F283 VanDerWaalsContact CB-CZ 3.49Å; P281-F283 HydrophobicContact CG-CD2 4.32Å; P281-F283 HydrophobicContact CG-CE1 4.16Å; P281-F283 HydrophobicContact CG-CE2 3.52Å; P281-F283 HydrophobicContact CG-CZ 3.44Å; P281-F283 VanDerWaalsContact CG-CZ 3.44Å
284	K	89.5	Confident	94.1	Very high	151 Å²	151	110.7 Å²	110.7	66%	0.657	51%	0.511	S	S	*	.			trans	-113.9	-4.5	-177.7	-67.3	-176.7	-179.5	178.9	0	113.1	D267 Q286	D267-K284 PolarHBondContact OD1-N 3.33Å; D267-K284 PolarHBondContact OD2-N 3.41Å; K284-Q286 HydrophobicContact CB-CG 4Å
285	G	86.9	Confident	93.9	Very high	28 Å²	28	119.8 Å²	119.8	29%	0.289	55%	0.553	S	S	.	*			trans	77.7	27.9	-177.5	0	0	0	0	0	113.8	D267	D267-G285 WeakPolarHBondContact OD2-CA 3.33Å; D267-G285 PolarHBondContact OD2-N 2.8Å
286	Q	87.9	Confident	93.6	Very high	94 Å²	94	114.6 Å²	114.6	44%	0.439	53%	0.533	S	S	.	.			trans	-141.2	0	-177.4	64.4	176.1	19.5	0	0	111.5	L265 R266 D267 K284	L265-Q286 WeakPolarHBondContact CA-OXT 3.5Å; R266-Q286 CarbonylContact C-O 3.56Å; R266-Q286 WeakPolarHBondContact CA-O 3.27Å; R266-Q286 HydrophobicContact CB-CG 4.39Å; R266-Q286 WeakPolarHBondContact CB-O 3.42Å; R266-Q286 VanDerWaalsContact N-C 3.27Å; R266-Q286 PolarHBondContact N-O 3.33Å; R266-Q286 PolarHBondContact N-OXT 3.23Å; D267-Q286 PolarHBondContact N-O 3.15Å; K284-Q286 HydrophobicContact CB-CG 4Å

Retrieved 286 of 286 residues in 181 ms (Link to these results)

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