A0A3Q0KI92_SCHMA Loading...

serine C-palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KI92, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 461 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	84.6	Confident	87.7	Confident	146 Å²	146	110.9 Å²	110.9	72%	0.719	53%	0.532	S	S	*	.				0	119.8	0	-74.5	-171	-74.1	0	0	105.8	F14 K18	M1-F14 HydrophobicContact CB-CD1 4.3Å; M1-F14 HydrophobicContact CB-CE1 4.14Å; M1-F14 HydrophobicContact CE-CE1 4.15Å; M1-F14 HydrophobicContact SD-CE1 4.07Å; M1-K18 HydrophobicContact CG-CG 4.48Å
2	D	88.5	Confident	87.9	Confident	39 Å²	39	108.8 Å²	108.8	21%	0.209	53%	0.525	C	S	.	.			trans	-81	145.7	-171.7	-45.3	-32.1	0	0	0	109	T15 T17 K18 S19	D2-T15 WeakPolarHBondContact CB-OG1 3.3Å; D2-T15 PolarHBondContact O-N 3.49Å; D2-T15 PolarHBondContact O-OG1 3.06Å; D2-T17 WeakPolarHBondContact CB-OG1 3.48Å; D2-T17 PolarHBondContact N-O 2.88Å; D2-T17 VanDerWaalsContact OD2-C 3.25Å; D2-T17 WeakPolarHBondContact OD2-CB 3.3Å; D2-T17 PolarHBondContact OD2-OG1 2.74Å; D2-K18 PolarHBondContact OD2-N 3.47Å; D2-S19 WeakPolarHBondContact OD1-CB 3.28Å; D2-S19 PolarHBondContact OD1-N 3.49Å; D2-S19 PolarHBondContact OD1-OG 2.96Å; D2-S19 VanDerWaalsContact OD1-OG 3.05Å; D2-S19 PolarHBondContact OD2-N 2.74Å; D2-S19 PolarHBondContact OD2-OG 2.83Å
3	R	89	Confident	88.3	Confident	142 Å²	142	107.1 Å²	107.1	54%	0.536	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	141.5	-176.4	-66.6	174.7	179.1	169.1	0.5	108.5	L12 N13 F14	R3-L12 HydrophobicContact CB-CB 4.24Å; R3-L12 HydrophobicContact CB-CD2 4.33Å; R3-L12 HydrophobicContact CG-CB 4.49Å; R3-N13 VanDerWaalsContact CA-O 3.32Å; R3-N13 WeakPolarHBondContact CA-O 3.42Å; R3-F14 HydrophobicContact CG-CD1 4.04Å; R3-F14 HydrophobicContact CG-CE1 4.2Å
4	K	89.7	Confident	88.6	Confident	148 Å²	148	108.5 Å²	108.5	64%	0.643	52%	0.523	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	140.2	172.6	-171.1	176.3	179.7	-178.9	0	108.8	N13 T15	K4-N13 PolarHBondContact N-O 2.99Å; K4-N13 PolarHBondContact O-N 3.31Å; K4-T15 HydrophobicContact CB-CG2 4.09Å
5	S	88.4	Confident	88.8	Confident	33 Å²	33	105.7 Å²	105.7	23%	0.231	52%	0.515	C	S	.	.			trans	-109.5	134.1	166.8	169.2	0	0	0	0	108.8	D7 Y8 G9 T11	S5-D7 PolarHBondContact OG-N 3.33Å; S5-D7 VanDerWaalsContact OG-N 3.1Å; S5-D7 PolarHBondContact OG-OD1 2.87Å; S5-Y8 PolarHBondContact OG-N 3.32Å; S5-G9 WeakPolarHBondContact OG-CA 3.46Å; S5-G9 PolarHBondContact OG-N 2.96Å; S5-T11 WeakPolarHBondContact CA-O 3.23Å; S5-T11 WeakPolarHBondContact CB-O 3.13Å; S5-T11 PolarHBondContact OG-O 3.49Å
6	S	89.4	Confident	89.1	Confident	102 Å²	102	103.9 Å²	103.9	71%	0.713	53%	0.532	S	S	*	.	S	Bend	trans	-98	-1.1	169.7	48.2	0	0	0	0	112.4
7	D	91	Very high	89.4	Confident	45 Å²	45	102.4 Å²	102.4	24%	0.241	53%	0.529	C	S	.	.	S	Bend	trans	-135	39.7	-169.8	63	-7.3	0	0	0	111.5	S5 G9 W10 T11	S5-D7 PolarHBondContact OG-N 3.33Å; S5-D7 VanDerWaalsContact OG-N 3.1Å; S5-D7 PolarHBondContact OG-OD1 2.87Å; D7-G9 PolarHBondContact O-N 2.95Å; D7-G9 VanDerWaalsContact O-N 3.11Å; D7-W10 HydrophobicContact CB-CB 4.32Å; D7-W10 VanDerWaalsContact O-CD1 3.29Å; D7-W10 PolarHBondContact O-N 2.88Å; D7-W10 PolarHBondContact OD1-N 3.49Å; D7-W10 WeakPolarHBondContact OD2-CB 3.42Å; D7-T11 VanDerWaalsContact CG-N 3.26Å; D7-T11 PolarHBondContact OD1-N 3.15Å; D7-T11 VanDerWaalsContact OD1-O 3.12Å; D7-T11 WeakPolarHBondContact OD2-CB 3.43Å; D7-T11 PolarHBondContact OD2-N 3.04Å; D7-T11 PolarHBondContact OD2-OG1 2.93Å
8	Y	84.6	Confident	89.6	Confident	230 Å²	230	106.4 Å²	106.4	90%	0.902	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	25.6	172.6	-51.6	-79.9	0	0	0	116	S5	S5-Y8 PolarHBondContact OG-N 3.32Å
9	G	81.4	Confident	89.7	Confident	35 Å²	35	104.5 Å²	104.5	36%	0.361	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.6	0	175.5	0	0	0	0	0	114.7	S5 D7	S5-G9 WeakPolarHBondContact OG-CA 3.46Å; S5-G9 PolarHBondContact OG-N 2.96Å; D7-G9 PolarHBondContact O-N 2.95Å; D7-G9 VanDerWaalsContact O-N 3.11Å
10	W	87.1	Confident	89.8	Confident	233 Å²	233	109.8 Å²	109.8	88%	0.883	56%	0.558	S	S	*	*	S	Bend	trans	-63.8	-42.4	174.7	-83.4	91.5	0	0	0	111.9	D7	D7-W10 HydrophobicContact CB-CB 4.32Å; D7-W10 VanDerWaalsContact O-CD1 3.29Å; D7-W10 PolarHBondContact O-N 2.88Å; D7-W10 PolarHBondContact OD1-N 3.49Å; D7-W10 WeakPolarHBondContact OD2-CB 3.42Å
11	T	90.9	Very high	90.1	Very high	67 Å²	67	107.1 Å²	107.1	41%	0.411	55%	0.547	S	S	.	.			trans	-124.4	137.8	176.3	-46.8	0	0	0	0	109.9	S5 D7	S5-T11 WeakPolarHBondContact CA-O 3.23Å; S5-T11 WeakPolarHBondContact CB-O 3.13Å; S5-T11 PolarHBondContact OG-O 3.49Å; D7-T11 VanDerWaalsContact CG-N 3.26Å; D7-T11 PolarHBondContact OD1-N 3.15Å; D7-T11 VanDerWaalsContact OD1-O 3.12Å; D7-T11 WeakPolarHBondContact OD2-CB 3.43Å; D7-T11 PolarHBondContact OD2-N 3.04Å; D7-T11 PolarHBondContact OD2-OG1 2.93Å
12	L	90.2	Very high	90.6	Very high	86 Å²	86	101.1 Å²	101.1	45%	0.45	52%	0.517	S	S	.	.			trans	-114.4	109.7	173.6	-66.7	175.3	0	0	0	109.4	R3	R3-L12 HydrophobicContact CB-CB 4.24Å; R3-L12 HydrophobicContact CB-CD2 4.33Å; R3-L12 HydrophobicContact CG-CB 4.49Å
13	N	92.9	Very high	90.9	Very high	86 Å²	86	102.9 Å²	102.9	46%	0.46	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.2	175.2	-66.1	-50.8	0	0	0	109.8	R3 K4	R3-N13 VanDerWaalsContact CA-O 3.32Å; R3-N13 WeakPolarHBondContact CA-O 3.42Å; K4-N13 PolarHBondContact N-O 2.99Å; K4-N13 PolarHBondContact O-N 3.31Å
14	F	92.4	Very high	91.2	Very high	127 Å²	127	96.2 Å²	96.2	56%	0.557	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	133	171.8	-70.3	-72	0	0	0	109.9	M1 R3 G16	M1-F14 HydrophobicContact CB-CD1 4.3Å; M1-F14 HydrophobicContact CB-CE1 4.14Å; M1-F14 HydrophobicContact CE-CE1 4.15Å; M1-F14 HydrophobicContact SD-CE1 4.07Å; R3-F14 HydrophobicContact CG-CD1 4.04Å; R3-F14 HydrophobicContact CG-CE1 4.2Å; F14-G16 VanDerWaalsContact C-N 3.31Å
15	T	91.7	Very high	91.3	Very high	67 Å²	67	89.8 Å²	89.8	41%	0.411	48%	0.478	S	S	.	.			trans	-84.3	-8.6	177.5	58.7	0	0	0	0	113	D2 K4 T17	D2-T15 WeakPolarHBondContact CB-OG1 3.3Å; D2-T15 PolarHBondContact O-N 3.49Å; D2-T15 PolarHBondContact O-OG1 3.06Å; K4-T15 HydrophobicContact CB-CG2 4.09Å; T15-T17 PolarHBondContact O-N 2.92Å; T15-T17 PolarHBondContact OG1-N 2.73Å; T15-T17 PolarHBondContact OG1-OG1 3.27Å
16	G	94	Very high	91.5	Very high	76 Å²	76	90.1 Å²	90.1	78%	0.784	48%	0.48	S	S	*	.	S	Bend	trans	77.8	-5.4	-169	0	0	0	0	0	114.2	F14	F14-G16 VanDerWaalsContact C-N 3.31Å
17	T	94.4	Very high	91.7	Very high	78 Å²	78	88.7 Å²	88.7	48%	0.479	46%	0.459	S	S	.	.			trans	-98.6	161.3	-179.1	65.2	0	0	0	0	112.7	D2 T15	D2-T17 WeakPolarHBondContact CB-OG1 3.48Å; D2-T17 PolarHBondContact N-O 2.88Å; D2-T17 VanDerWaalsContact OD2-C 3.25Å; D2-T17 WeakPolarHBondContact OD2-CB 3.3Å; D2-T17 PolarHBondContact OD2-OG1 2.74Å; T15-T17 PolarHBondContact O-N 2.92Å; T15-T17 PolarHBondContact OG1-N 2.73Å; T15-T17 PolarHBondContact OG1-OG1 3.27Å
18	K	92.6	Very high	91.8	Very high	175 Å²	175	87.8 Å²	87.8	76%	0.761	46%	0.455	S	S	*	.			trans	-133.1	126.7	175.2	-62.3	177.7	-175.8	174.9	0	109.3	M1 D2	M1-K18 HydrophobicContact CG-CG 4.48Å; D2-K18 PolarHBondContact OD2-N 3.47Å
19	S	91.2	Very high	92.5	Very high	71 Å²	71	76.8 Å²	76.8	50%	0.497	41%	0.412	S	S	.	.			trans	-92	134.5	168.8	-60.3	0	0	0	0	111.7	D2	D2-S19 WeakPolarHBondContact OD1-CB 3.28Å; D2-S19 PolarHBondContact OD1-N 3.49Å; D2-S19 PolarHBondContact OD1-OG 2.96Å; D2-S19 VanDerWaalsContact OD1-OG 3.05Å; D2-S19 PolarHBondContact OD2-N 2.74Å; D2-S19 PolarHBondContact OD2-OG 2.83Å
20	K	93.1	Very high	93.2	Very high	210 Å²	210	75.2 Å²	75.2	91%	0.913	40%	0.395	S	S	*	.			trans	-86.3	119.5	168.9	-175.2	178.2	-178.7	179.2	0	108.6
21	V	94.4	Very high	93.6	Very high	53 Å²	53	64.2 Å²	64.2	32%	0.321	35%	0.354	S	S	.	.			trans	-128.6	152.3	-175.2	-56.9	0	0	0	0	111.2	L338 G341	V21-L338 HydrophobicContact CB-CD1 4.48Å; V21-L338 HydrophobicContact CG1-CD1 3.87Å; V21-L338 HydrophobicContact CG2-CD1 4.32Å; V21-G341 CarbonylContact C-O 3.5Å; V21-G341 WeakPolarHBondContact CA-O 3.42Å; V21-G341 WeakPolarHBondContact CB-O 3.4Å
22	L	95.9	Very high	93.8	Very high	20 Å²	20	61.6 Å²	61.6	11%	0.105	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.2	170.1	176.3	57.5	0	0	0	109.1	G341 L342 G343 L371 A375	L22-G341 PolarHBondContact N-O 3.16Å; L22-L342 HydrophobicContact CB-CD1 4.09Å; L22-L342 HydrophobicContact CD2-CD1 4.07Å; L22-L342 HydrophobicContact CG-CD1 4Å; L22-G343 PolarHBondContact O-N 2.99Å; L22-L371 HydrophobicContact CD1-CB 4.18Å; L22-L371 HydrophobicContact CD1-CD1 4.28Å; L22-L371 HydrophobicContact CD1-CD2 4.28Å; L22-L371 HydrophobicContact CD1-CG 4.49Å; L22-L371 HydrophobicContact CD2-CB 4.26Å; L22-L371 WeakPolarHBondContact CD2-O 3.33Å; L22-A375 HydrophobicContact CD2-CB 3.74Å
23	N	94.6	Very high	93.9	Very high	77 Å²	77	59.5 Å²	59.5	41%	0.412	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	113.6	-177.1	-175	5.1	0	0	0	111.1	G25 S26 H367	N23-G25 WeakPolarHBondContact OD1-CA 3.34Å; N23-G25 PolarHBondContact OD1-N 3.04Å; N23-S26 PolarHBondContact ND2-OG 2.92Å; N23-S26 PolarHBondContact OD1-N 2.93Å; N23-H367 PolarHBondContact O-NE2 3.39Å; N23-H367 VanDerWaalsContact O-NE2 3.11Å
24	L	95.5	Very high	93.8	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.335	C	S	.	.			trans	-111.7	17.2	168.7	-65.7	-172	0	0	0	112.2	F300 L342 G343 F361 C362 I363 H367 A375	L24-F300 HydrophobicContact CD1-CE2 3.88Å; L24-F300 HydrophobicContact CD1-CZ 3.83Å; L24-L342 HydrophobicContact CD1-CD1 3.93Å; L24-L342 HydrophobicContact CG-CD1 3.93Å; L24-G343 PolarHBondContact N-O 3Å; L24-G343 VanDerWaalsContact N-O 3.14Å; L24-F361 HydrophobicContact CB-CD1 3.89Å; L24-F361 HydrophobicContact CD1-CD1 3.78Å; L24-F361 HydrophobicContact CD1-CE1 4.31Å; L24-F361 CarbonylContact O-C 3.5Å; L24-F361 WeakPolarHBondContact O-CA 3.47Å; L24-C362 PolarHBondContact O-N 2.93Å; L24-I363 HydrophobicContact CD2-CD1 4.49Å; L24-H367 WeakPolarHBondContact CD2-CE1 3.48Å; L24-A375 HydrophobicContact CD1-CB 3.67Å
25	G	92.5	Very high	93.6	Very high	13 Å²	13	58.3 Å²	58.3	13%	0.134	34%	0.342	C	S	.	.	S	Bend	trans	-105.7	-9.4	-179.2	0	0	0	0	0	115.1	N23	N23-G25 WeakPolarHBondContact OD1-CA 3.34Å; N23-G25 PolarHBondContact OD1-N 3.04Å
26	S	91.7	Very high	93.5	Very high	40 Å²	40	62.3 Å²	62.3	28%	0.28	36%	0.359	S	S	.	.			trans	-89	146.3	-179.4	62.5	0	0	0	0	112.2	N23 N28 C362	N23-S26 PolarHBondContact ND2-OG 2.92Å; N23-S26 PolarHBondContact OD1-N 2.93Å; S26-N28 PolarHBondContact O-N 3.46Å; S26-C362 WeakPolarHBondContact O-CB 3.28Å
27	Y	93.3	Very high	93.4	Very high	72 Å²	72	59.8 Å²	59.8	28%	0.282	33%	0.333	S	S	.	.			trans	-86.6	26.8	176.2	-45.5	-61.2	0	0	0	113.4	Y29 H198 K230 R360 C362	Y27-Y29 PolarHBondContact O-N 2.68Å; Y27-H198 AromaticContact CD1-CE1 3.76Å; Y27-H198 AromaticContact CE1-CE1 3.69Å; Y27-K230 HydrophobicContact CD2-CD 4.06Å; Y27-K230 HydrophobicContact CD2-CG 4.11Å; Y27-K230 HydrophobicContact CG-CD 3.86Å; Y27-K230 HydrophobicContact CG-CG 4.09Å; Y27-K230 CarbonylContact O-C 3.55Å; Y27-K230 VanDerWaalsContact O-CA 3.24Å; Y27-K230 WeakPolarHBondContact O-CA 3.11Å; Y27-K230 WeakPolarHBondContact O-CB 3.4Å; Y27-R360 PolarHBondContact OH-NH1 3.24Å; Y27-R360 VanDerWaalsContact OH-NH1 3.13Å; Y27-R360 PolarHBondContact OH-NH2 3.15Å; Y27-C362 HydrophobicContact CD1-CB 4.43Å; Y27-C362 VanDerWaalsContact CD1-SG 3.52Å
28	N	94.8	Very high	93.4	Very high	26 Å²	26	59.3 Å²	59.3	14%	0.139	33%	0.331	C	S	.	.			trans	-79.3	61	-176.8	-172.8	20.2	0	0	0	110.8	S26 L30 G31 F32 G33 S364	S26-N28 PolarHBondContact O-N 3.46Å; N28-L30 PolarHBondContact O-N 2.86Å; N28-G31 PolarHBondContact O-N 3.14Å; N28-G31 VanDerWaalsContact O-N 3.11Å; N28-G31 VanDerWaalsContact OD1-CA 3.27Å; N28-G31 WeakPolarHBondContact OD1-CA 3.25Å; N28-G31 PolarHBondContact OD1-N 2.94Å; N28-F32 PolarHBondContact OD1-N 3.39Å; N28-F32 VanDerWaalsContact OD1-N 3.13Å; N28-G33 PolarHBondContact OD1-N 3Å; N28-S364 VanDerWaalsContact O-CB 3.27Å; N28-S364 WeakPolarHBondContact O-CB 3.45Å; N28-S364 PolarHBondContact O-OG 3.41Å
29	Y	97.3	Very high	93.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-40.4	-166	-58.5	-35.7	0	0	0	113.9	Y27 H198 A202 K230 S231 P318 V319 C362 I363 S364 S365	Y27-Y29 PolarHBondContact O-N 2.68Å; Y29-H198 AromaticContact CE2-ND1 3.99Å; Y29-H198 WeakPolarHBondContact CE2-O 3.33Å; Y29-H198 AromaticContact CZ-ND1 3.76Å; Y29-H198 PolarHBondContact OH-ND1 2.92Å; Y29-A202 HydrophobicContact CD2-CB 3.95Å; Y29-A202 HydrophobicContact CG-CB 4.48Å; Y29-K230 HydrophobicContact CD2-CB 4.46Å; Y29-K230 HydrophobicContact CE2-CB 4.38Å; Y29-K230 HydrophobicContact CE2-CD 4.42Å; Y29-S231 WeakPolarHBondContact CD2-OG 3.42Å; Y29-P318 HydrophobicContact CD1-CB 3.81Å; Y29-P318 HydrophobicContact CD1-CG 4.35Å; Y29-P318 HydrophobicContact CD2-CB 4.43Å; Y29-P318 HydrophobicContact CD2-CG 4.19Å; Y29-P318 HydrophobicContact CE1-CB 3.71Å; Y29-P318 HydrophobicContact CE1-CG 4.03Å; Y29-P318 HydrophobicContact CE2-CB 4.33Å; Y29-P318 HydrophobicContact CE2-CG 3.82Å; Y29-P318 HydrophobicContact CG-CB 4.17Å; Y29-P318 HydrophobicContact CG-CG 4.42Å; Y29-V319 WeakPolarHBondContact OH-CG2 3.25Å; Y29-C362 HydrophobicContact CE1-CB 4.12Å; Y29-I363 WeakPolarHBondContact CD1-O 3.38Å; Y29-S364 CarbonylContact O-C 3.48Å; Y29-S364 WeakPolarHBondContact O-CA 3.5Å; Y29-S365 PolarHBondContact O-N 2.68Å; Y29-S365 PolarHBondContact O-OG 3.18Å
30	L	96.7	Very high	93.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	5	177.9	-64.4	179	0	0	0	113.5	N28 F32 G201 I277 R289 L290 L293 S365	N28-L30 PolarHBondContact O-N 2.86Å; L30-F32 VanDerWaalsContact C-N 3.28Å; L30-F32 HydrophobicContact CB-CD2 3.61Å; L30-F32 HydrophobicContact CB-CE2 3.67Å; L30-F32 HydrophobicContact CD1-CD2 4.33Å; L30-F32 HydrophobicContact CD1-CE2 3.9Å; L30-F32 HydrophobicContact CG-CE2 4.46Å; L30-F32 PolarHBondContact O-N 3.39Å; L30-G201 VanDerWaalsContact CD1-O 3.23Å; L30-G201 WeakPolarHBondContact CD1-O 3.29Å; L30-G201 VanDerWaalsContact CD2-O 3.23Å; L30-G201 WeakPolarHBondContact CD2-O 3.46Å; L30-G201 WeakPolarHBondContact CG-O 3.38Å; L30-I277 HydrophobicContact CD1-CD1 3.47Å; L30-I277 VanDerWaalsContact CD1-CD1 3.47Å; L30-I277 HydrophobicContact CD1-CG1 3.73Å; L30-R289 HydrophobicContact CD2-CB 3.98Å; L30-R289 WeakPolarHBondContact O-CD 3.32Å; L30-R289 PolarHBondContact O-NH1 3.22Å; L30-L290 HydrophobicContact CD2-CD2 3.92Å; L30-L290 HydrophobicContact CD2-CG 4.21Å; L30-L293 HydrophobicContact CD2-CD2 4.15Å; L30-S365 WeakPolarHBondContact CA-OG 3.5Å; L30-S365 PolarHBondContact O-OG 3.44Å
31	G	95	Very high	93.9	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.031	27%	0.267	C	S	.	.	S	Bend	trans	70.5	17.6	177	0	0	0	0	0	114.9	N28 G33 R289	N28-G31 PolarHBondContact O-N 3.14Å; N28-G31 VanDerWaalsContact O-N 3.11Å; N28-G31 VanDerWaalsContact OD1-CA 3.27Å; N28-G31 WeakPolarHBondContact OD1-CA 3.25Å; N28-G31 PolarHBondContact OD1-N 2.94Å; G31-G33 VanDerWaalsContact C-N 3.29Å; G31-R289 PolarHBondContact O-NH1 3.3Å
32	F	96.1	Very high	94	Very high	11 Å²	11	43 Å²	43	5%	0.048	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-12.5	177.9	-72.8	-63.2	0	0	0	113.7	N28 L30 D34 S231 Q269 I276 I277	N28-F32 PolarHBondContact OD1-N 3.39Å; N28-F32 VanDerWaalsContact OD1-N 3.13Å; L30-F32 VanDerWaalsContact C-N 3.28Å; L30-F32 HydrophobicContact CB-CD2 3.61Å; L30-F32 HydrophobicContact CB-CE2 3.67Å; L30-F32 HydrophobicContact CD1-CD2 4.33Å; L30-F32 HydrophobicContact CD1-CE2 3.9Å; L30-F32 HydrophobicContact CG-CE2 4.46Å; L30-F32 PolarHBondContact O-N 3.39Å; F32-D34 PolarHBondContact O-N 3.16Å; F32-S231 WeakPolarHBondContact CD2-O 3.22Å; F32-Q269 PolarHBondContact O-NE2 2.95Å; F32-I276 HydrophobicContact CE1-CB 4.06Å; F32-I276 HydrophobicContact CE1-CD1 3.98Å; F32-I276 HydrophobicContact CE1-CG2 3.85Å; F32-I276 HydrophobicContact CZ-CB 4.01Å; F32-I276 HydrophobicContact CZ-CG2 3.74Å; F32-I277 HydrophobicContact CD2-CD1 4.43Å; F32-I277 HydrophobicContact CE2-CD1 3.76Å; F32-I277 HydrophobicContact CE2-CG1 3.54Å; F32-I277 HydrophobicContact CZ-CG1 3.95Å
33	G	92.5	Very high	94	Very high	43 Å²	43	43.4 Å²	43.4	44%	0.443	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	4.6	174.3	0	0	0	0	0	115	N28 G31	N28-G33 PolarHBondContact OD1-N 3Å; G31-G33 VanDerWaalsContact C-N 3.29Å
34	D	89.8	Confident	94.1	Very high	80 Å²	80	44.6 Å²	44.6	43%	0.428	27%	0.266	S	S	.	.	S	Bend	trans	-73	142.7	178.1	-74.3	-5.8	0	0	0	110.9	F32 I36	F32-D34 PolarHBondContact O-N 3.16Å; D34-I36 PolarHBondContact O-N 2.87Å; D34-I36 VanDerWaalsContact O-N 3.11Å
35	P	89.1	Confident	94.2	Very high	108 Å²	108	50.9 Å²	50.9	70%	0.701	30%	0.295	S	S	*	.	S	Bend	trans	-76.2	2.9	-174.5	31.7	-35.9	0	0	0	113.6	T40	P35-T40 WeakPolarHBondContact O-CG2 3.43Å; P35-T40 PolarHBondContact O-OG1 2.7Å
36	I	89.5	Confident	94.4	Very high	151 Å²	151	50.5 Å²	50.5	77%	0.774	29%	0.291	S	S	*	.	S	Bend	trans	-129.3	134.1	-176.7	-57.2	169.9	0	0	0	108.2	D34	D34-I36 PolarHBondContact O-N 2.87Å; D34-I36 VanDerWaalsContact O-N 3.11Å
37	G	91.4	Very high	94.6	Very high	23 Å²	23	51 Å²	51	24%	0.237	29%	0.293	C	S	.	.	S	Bend	trans	141.7	-176.1	171.4	0	0	0	0	0	113.6	C39 T40 N41	G37-C39 VanDerWaalsContact C-N 3.26Å; G37-C39 PolarHBondContact O-N 2.93Å; G37-T40 PolarHBondContact O-N 2.99Å; G37-T40 VanDerWaalsContact O-N 3.17Å; G37-N41 PolarHBondContact O-N 2.96Å; G37-N41 VanDerWaalsContact O-N 3.15Å
38	P	94.2	Very high	94.8	Very high	68 Å²	68	57.7 Å²	57.7	44%	0.442	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-35.3	-177.8	24.2	-35.6	0	0	0	112.9	N41 A42 I276 I282	P38-N41 PolarHBondContact O-N 3.41Å; P38-A42 WeakPolarHBondContact O-CB 3.39Å; P38-A42 PolarHBondContact O-N 3.42Å; P38-I276 HydrophobicContact CB-CD1 4.3Å; P38-I276 HydrophobicContact CG-CD1 3.63Å; P38-I282 HydrophobicContact CB-CD1 4.35Å; P38-I282 HydrophobicContact CG-CD1 3.85Å
39	C	95.9	Very high	94.9	Very high	8 Å²	8	63.5 Å²	63.5	5%	0.054	34%	0.341	C	S	.	.	H	α-helix	trans	-65.1	-42.2	177.6	-54.1	0	0	0	0	112	G37 T43 Q269	G37-C39 VanDerWaalsContact C-N 3.26Å; G37-C39 PolarHBondContact O-N 2.93Å; C39-T43 WeakPolarHBondContact O-CB 3.47Å; C39-T43 PolarHBondContact O-N 3.23Å; C39-T43 PolarHBondContact O-OG1 3Å; C39-Q269 PolarHBondContact O-OE1 2.84Å
40	T	95.6	Very high	94.8	Very high	31 Å²	31	67.1 Å²	67.1	19%	0.19	36%	0.357	C	S	.	.	H	α-helix	trans	-62	-49.2	175.5	-51.8	0	0	0	0	111	P35 G37 A42 T43 E44	P35-T40 WeakPolarHBondContact O-CG2 3.43Å; P35-T40 PolarHBondContact O-OG1 2.7Å; G37-T40 PolarHBondContact O-N 2.99Å; G37-T40 VanDerWaalsContact O-N 3.17Å; T40-A42 VanDerWaalsContact C-N 3.35Å; T40-A42 PolarHBondContact O-N 3.05Å; T40-T43 WeakPolarHBondContact O-CB 3.45Å; T40-T43 PolarHBondContact O-N 2.64Å; T40-T43 VanDerWaalsContact O-N 3.1Å; T40-E44 PolarHBondContact O-N 2.84Å
41	N	96	Very high	94.6	Very high	107 Å²	107	68.5 Å²	68.5	57%	0.572	37%	0.372	S	S	*	.	H	α-helix	trans	-59.7	-45.1	-178.8	-64.8	-8.3	0	0	0	111.7	G37 P38 T43 E44 E45	G37-N41 PolarHBondContact O-N 2.96Å; G37-N41 VanDerWaalsContact O-N 3.15Å; P38-N41 PolarHBondContact O-N 3.41Å; N41-T43 VanDerWaalsContact C-N 3.32Å; N41-T43 PolarHBondContact O-N 3.21Å; N41-E44 PolarHBondContact O-N 2.68Å; N41-E45 PolarHBondContact O-N 2.82Å; N41-E45 VanDerWaalsContact O-N 3.16Å
42	A	96.5	Very high	94.5	Very high	21 Å²	21	73.3 Å²	73.3	17%	0.174	40%	0.4	C	S	.	.	H	α-helix	trans	-63.3	-39.5	176.5	0	0	0	0	0	111.7	P38 T40 E44 E45 A46 Q268 S272	P38-A42 WeakPolarHBondContact O-CB 3.39Å; P38-A42 PolarHBondContact O-N 3.42Å; T40-A42 VanDerWaalsContact C-N 3.35Å; T40-A42 PolarHBondContact O-N 3.05Å; A42-E44 PolarHBondContact O-N 2.88Å; A42-E45 PolarHBondContact O-N 2.82Å; A42-A46 WeakPolarHBondContact O-CB 3.49Å; A42-A46 PolarHBondContact O-N 2.88Å; A42-Q268 HydrophobicContact CB-CG 3.92Å; A42-Q268 WeakPolarHBondContact O-CG 3.46Å; A42-S272 WeakPolarHBondContact CB-OG 3.41Å
43	T	96.7	Very high	94.1	Very high	27 Å²	27	75 Å²	75	17%	0.166	42%	0.42	C	S	.	.	H	α-helix	trans	-64	-39	177.6	-61.6	0	0	0	0	112.1	C39 T40 N41 A46 T47 P265 Q269	C39-T43 WeakPolarHBondContact O-CB 3.47Å; C39-T43 PolarHBondContact O-N 3.23Å; C39-T43 PolarHBondContact O-OG1 3Å; T40-T43 WeakPolarHBondContact O-CB 3.45Å; T40-T43 PolarHBondContact O-N 2.64Å; T40-T43 VanDerWaalsContact O-N 3.1Å; N41-T43 VanDerWaalsContact C-N 3.32Å; N41-T43 PolarHBondContact O-N 3.21Å; T43-A46 PolarHBondContact O-N 3.21Å; T43-T47 WeakPolarHBondContact O-CB 3.36Å; T43-T47 PolarHBondContact O-N 2.83Å; T43-T47 PolarHBondContact O-OG1 3.42Å; T43-P265 HydrophobicContact CG2-CB 3.54Å; T43-Q269 PolarHBondContact OG1-OE1 3.42Å
44	E	96.6	Very high	93.8	Very high	103 Å²	103	74.9 Å²	74.9	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-63.1	-45.2	174	-71.7	-175.1	-172.6	0	0	111.9	T40 N41 A42 T47 R48	T40-E44 PolarHBondContact O-N 2.84Å; N41-E44 PolarHBondContact O-N 2.68Å; A42-E44 PolarHBondContact O-N 2.88Å; E44-T47 WeakPolarHBondContact O-CB 3.41Å; E44-T47 PolarHBondContact O-N 2.96Å; E44-R48 WeakPolarHBondContact O-CG 3.49Å; E44-R48 PolarHBondContact O-N 2.98Å
45	E	96.9	Very high	93.7	Very high	133 Å²	133	76.2 Å²	76.2	62%	0.621	43%	0.433	S	S	*	.	H	α-helix	trans	-61.4	-46.7	176.7	-171.1	-174.4	163.7	0	0	111.4	N41 A42 T47 R48 K49	N41-E45 PolarHBondContact O-N 2.82Å; N41-E45 VanDerWaalsContact O-N 3.16Å; A42-E45 PolarHBondContact O-N 2.82Å; E45-T47 VanDerWaalsContact C-N 3.28Å; E45-T47 PolarHBondContact O-N 3.25Å; E45-R48 PolarHBondContact O-N 2.96Å; E45-R48 VanDerWaalsContact O-N 3.16Å; E45-K49 WeakPolarHBondContact O-CB 3.43Å; E45-K49 PolarHBondContact O-N 3.07Å
46	A	96.7	Very high	93.8	Very high	5 Å²	5	72 Å²	72	4%	0.041	41%	0.406	C	S	.	.	H	α-helix	trans	-61.2	-37.6	176.6	0	0	0	0	0	112.1	A42 T43 K49 F50 Q268	A42-A46 WeakPolarHBondContact O-CB 3.49Å; A42-A46 PolarHBondContact O-N 2.88Å; T43-A46 PolarHBondContact O-N 3.21Å; A46-K49 PolarHBondContact O-N 2.83Å; A46-F50 HydrophobicContact CB-CD2 4.35Å; A46-F50 WeakPolarHBondContact O-CB 3.48Å; A46-F50 PolarHBondContact O-N 3.35Å; A46-Q268 HydrophobicContact CB-CB 3.6Å; A46-Q268 HydrophobicContact CB-CG 3.69Å
47	T	97	Very high	93.9	Very high	51 Å²	51	65.2 Å²	65.2	31%	0.313	37%	0.372	S	S	.	.	H	α-helix	trans	-61	-45.3	174.9	-57.9	0	0	0	0	111.2	T43 E44 E45 K49 G51 V52 P265	T43-T47 WeakPolarHBondContact O-CB 3.36Å; T43-T47 PolarHBondContact O-N 2.83Å; T43-T47 PolarHBondContact O-OG1 3.42Å; E44-T47 WeakPolarHBondContact O-CB 3.41Å; E44-T47 PolarHBondContact O-N 2.96Å; E45-T47 VanDerWaalsContact C-N 3.28Å; E45-T47 PolarHBondContact O-N 3.25Å; T47-K49 VanDerWaalsContact C-N 3.32Å; T47-K49 PolarHBondContact O-N 3.01Å; T47-G51 VanDerWaalsContact O-CA 3.23Å; T47-G51 WeakPolarHBondContact O-CA 3.36Å; T47-G51 PolarHBondContact O-N 3.37Å; T47-V52 HydrophobicContact CG2-CG1 3.95Å; T47-P265 WeakPolarHBondContact OG1-CB 3.35Å
48	R	97.2	Very high	93.9	Very high	212 Å²	212	66.2 Å²	66.2	80%	0.8	37%	0.369	S	S	*	.	H	α-helix	trans	-66.9	-34.3	178.5	-66.8	-179.6	-166.7	-80.5	-1.1	112.5	E44 E45	E44-R48 WeakPolarHBondContact O-CG 3.49Å; E44-R48 PolarHBondContact O-N 2.98Å; E45-R48 PolarHBondContact O-N 2.96Å; E45-R48 VanDerWaalsContact O-N 3.16Å
49	K	96.1	Very high	93.7	Very high	147 Å²	147	67.6 Å²	67.6	64%	0.639	37%	0.369	S	S	*	.	H	α-helix	trans	-83.1	-41.6	-175.1	-175.6	172.2	-178.9	172.9	0	114.1	E45 A46 T47	E45-K49 WeakPolarHBondContact O-CB 3.43Å; E45-K49 PolarHBondContact O-N 3.07Å; A46-K49 PolarHBondContact O-N 2.83Å; T47-K49 VanDerWaalsContact C-N 3.32Å; T47-K49 PolarHBondContact O-N 3.01Å
50	F	94.8	Very high	93.4	Very high	76 Å²	76	74.4 Å²	74.4	33%	0.333	40%	0.4	S	S	.	.	H	α-helix	trans	-112.7	-10.4	-171.9	-62.8	-74.4	0	0	0	113.6	A46 L64 A264	A46-F50 HydrophobicContact CB-CD2 4.35Å; A46-F50 WeakPolarHBondContact O-CB 3.48Å; A46-F50 PolarHBondContact O-N 3.35Å; F50-L64 HydrophobicContact CB-CD1 4.48Å; F50-L64 HydrophobicContact CD1-CD1 4.48Å; F50-A264 HydrophobicContact CB-CB 3.49Å; F50-A264 VanDerWaalsContact CB-CB 3.49Å; F50-A264 HydrophobicContact CD2-CB 4.36Å; F50-A264 HydrophobicContact CG-CB 4.15Å
51	G	93.8	Very high	93.2	Very high	31 Å²	31	76.5 Å²	76.5	32%	0.32	42%	0.421	S	S	.	.			trans	72.1	-173.7	-168.5	0	0	0	0	0	112.6	T47 P265	T47-G51 VanDerWaalsContact O-CA 3.23Å; T47-G51 WeakPolarHBondContact O-CA 3.36Å; T47-G51 PolarHBondContact O-N 3.37Å; G51-P265 WeakPolarHBondContact O-CD 3.42Å
52	V	92.1	Very high	93	Very high	103 Å²	103	71.4 Å²	71.4	62%	0.624	39%	0.394	S	S	*	.	S	Bend	trans	-94.3	-7.8	-174.3	-62.7	0	0	0	0	113.9	T47 P263	T47-V52 HydrophobicContact CG2-CG1 3.95Å; V52-P263 VanDerWaalsContact O-CB 3.24Å; V52-P263 WeakPolarHBondContact O-CB 3.31Å
53	G	87.8	Confident	92.8	Very high	46 Å²	46	73.5 Å²	73.5	47%	0.474	41%	0.407	S	S	.	.			trans	-171.3	157.2	-178.4	0	0	0	0	0	112.7
54	V	85.9	Confident	92.7	Very high	42 Å²	42	74.1 Å²	74.1	26%	0.255	41%	0.409	S	S	.	.			trans	-100.9	-14.3	-179.6	-164.7	0	0	0	0	112.1	S56 A61 L64	V54-S56 PolarHBondContact O-N 3Å; V54-A61 VanDerWaalsContact CG1-O 3.29Å; V54-A61 WeakPolarHBondContact CG1-O 3.32Å; V54-L64 HydrophobicContact CG2-CD1 3.73Å; V54-L64 HydrophobicContact CG2-CD2 4.03Å; V54-L64 HydrophobicContact CG2-CG 3.78Å
55	A	87.9	Confident	92.6	Very high	107 Å²	107	77.5 Å²	77.5	88%	0.884	42%	0.422	S	S	*	.	S	Bend	trans	56.2	31.4	-178	0	0	0	0	0	114.8
56	S	91.9	Very high	92.5	Very high	19 Å²	19	71.4 Å²	71.4	13%	0.133	39%	0.394	C	S	.	.	S	Bend	trans	-152.6	161.9	177.5	179.9	0	0	0	0	111.2	V54 E60 A61 G62 S261	V54-S56 PolarHBondContact O-N 3Å; S56-E60 WeakPolarHBondContact OG-CB 3.41Å; S56-E60 PolarHBondContact OG-OE2 3.47Å; S56-E60 VanDerWaalsContact OG-OE2 3.1Å; S56-A61 PolarHBondContact OG-N 3.29Å; S56-G62 PolarHBondContact OG-N 3.06Å; S56-S261 PolarHBondContact O-N 3.46Å; S56-S261 PolarHBondContact O-OG 3.39Å
57	S	91.6	Very high	92.5	Very high	9 Å²	9	71.2 Å²	71.2	6%	0.063	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-78.5	167.5	177	80.1	0	0	0	0	112	Q59 E60 G62 V257 G259	S57-Q59 PolarHBondContact O-N 2.81Å; S57-E60 PolarHBondContact O-N 3.46Å; S57-G62 WeakPolarHBondContact O-CA 3.47Å; S57-G62 PolarHBondContact O-N 3.23Å; S57-V257 WeakPolarHBondContact CB-O 3.13Å; S57-V257 PolarHBondContact OG-O 2.85Å; S57-G259 WeakPolarHBondContact CA-O 3.25Å; S57-G259 WeakPolarHBondContact CB-O 3.29Å
58	R	91.3	Very high	92.5	Very high	44 Å²	44	73 Å²	73	17%	0.166	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.1	-177.8	-69.3	-64.6	-59.1	-78.4	-3.1	113.4	S63 E71 A256	R58-S63 PolarHBondContact NE-OG 2.93Å; R58-S63 PolarHBondContact O-OG 3.45Å; R58-E71 IonicContact CZ-OE1 2.66Å; R58-E71 VanDerWaalsContact CZ-OE1 3.26Å; R58-E71 IonicContact NH1-OE1 2.72Å; R58-E71 PolarHBondContact NH1-OE1 3.38Å; R58-E71 IonicContact NH2-OE1 3.19Å; R58-E71 PolarHBondContact NH2-OE1 3.19Å; R58-E71 IonicContact NH2-OE2 2.68Å; R58-A256 PolarHBondContact N-O 2.91Å
59	Q	89.2	Confident	92.5	Very high	97 Å²	97	65.6 Å²	65.6	45%	0.453	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-16.5	179.3	-73.9	-159.9	-2.2	0	0	114.7	S57 R250 S251	S57-Q59 PolarHBondContact O-N 2.81Å; Q59-R250 PolarHBondContact NE2-O 3.25Å; Q59-S251 VanDerWaalsContact NE2-C 3.28Å; Q59-S251 PolarHBondContact NE2-O 2.94Å
60	E	90.9	Very high	92.6	Very high	151 Å²	151	58.6 Å²	58.6	71%	0.706	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-107.5	177.7	-66.9	175.4	166.8	0	0	109.4	S56 S57	S56-E60 WeakPolarHBondContact OG-CB 3.41Å; S56-E60 PolarHBondContact OG-OE2 3.47Å; S56-E60 VanDerWaalsContact OG-OE2 3.1Å; S57-E60 PolarHBondContact O-N 3.46Å
61	A	90.2	Very high	92.8	Very high	75 Å²	75	55.1 Å²	55.1	62%	0.62	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	4	-178.1	0	0	0	0	0	113.4	V54 S56 S63	V54-A61 VanDerWaalsContact CG1-O 3.29Å; V54-A61 WeakPolarHBondContact CG1-O 3.32Å; S56-A61 PolarHBondContact OG-N 3.29Å; A61-S63 VanDerWaalsContact C-N 3.27Å; A61-S63 PolarHBondContact O-N 3.18Å
62	G	91.5	Very high	93	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	33%	0.326	C	S	.	.			trans	-78.2	6.3	-173.7	0	0	0	0	0	116.3	S56 S57 H67 S261	S56-G62 PolarHBondContact OG-N 3.06Å; S57-G62 WeakPolarHBondContact O-CA 3.47Å; S57-G62 PolarHBondContact O-N 3.23Å; G62-H67 PolarHBondContact O-CE1 3.02Å; G62-H67 VanDerWaalsContact O-CE1 3.25Å; G62-H67 PolarHBondContact O-ND1 3.38Å; G62-S261 WeakPolarHBondContact O-CB 3.24Å
63	S	93	Very high	93.3	Very high	65 Å²	65	52.2 Å²	52.2	46%	0.455	30%	0.298	S	S	.	.			trans	-96.8	113.1	-175.1	-77.4	0	0	0	0	112.2	R58 A61	R58-S63 PolarHBondContact NE-OG 2.93Å; R58-S63 PolarHBondContact O-OG 3.45Å; A61-S63 VanDerWaalsContact C-N 3.27Å; A61-S63 PolarHBondContact O-N 3.18Å
64	L	94.1	Very high	93.8	Very high	41 Å²	41	50.1 Å²	50.1	22%	0.215	28%	0.276	C	S	.	.			trans	-98.7	156.2	172.5	-59.2	178.4	0	0	0	111	F50 V54 L66 H67 K68 A264	F50-L64 HydrophobicContact CB-CD1 4.48Å; F50-L64 HydrophobicContact CD1-CD1 4.48Å; V54-L64 HydrophobicContact CG2-CD1 3.73Å; V54-L64 HydrophobicContact CG2-CD2 4.03Å; V54-L64 HydrophobicContact CG2-CG 3.78Å; L64-L66 HydrophobicContact CB-CB 4.39Å; L64-L66 PolarHBondContact O-N 2.66Å; L64-L66 VanDerWaalsContact O-N 3.14Å; L64-H67 PolarHBondContact N-ND1 3.28Å; L64-H67 VanDerWaalsContact N-ND1 3.18Å; L64-H67 WeakPolarHBondContact O-CB 3.27Å; L64-H67 PolarHBondContact O-N 3.3Å; L64-K68 PolarHBondContact O-N 2.96Å; L64-A264 HydrophobicContact CD1-CB 3.87Å
65	K	94.3	Very high	94.4	Very high	173 Å²	173	48.4 Å²	48.4	75%	0.752	27%	0.267	S	S	*	.	H	α-helix	trans	-51.8	-36	169.6	-176.6	179	177	-178.3	0	111.8	H67 K68 E69	K65-H67 VanDerWaalsContact C-N 3.31Å; K65-H67 PolarHBondContact O-N 3.46Å; K65-K68 PolarHBondContact O-N 3.19Å; K65-E69 PolarHBondContact O-N 3.19Å
66	L	95.5	Very high	94.9	Very high	6 Å²	6	48 Å²	48	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-62.4	-34.6	178.8	-161.1	68.8	0	0	0	113	L64 L70 A264 A267 Q268 I271	L64-L66 HydrophobicContact CB-CB 4.39Å; L64-L66 PolarHBondContact O-N 2.66Å; L64-L66 VanDerWaalsContact O-N 3.14Å; L66-L70 VanDerWaalsContact O-CB 3.29Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 2.98Å; L66-A264 HydrophobicContact CD2-CB 4.04Å; L66-A264 WeakPolarHBondContact CD2-O 3.25Å; L66-A267 HydrophobicContact CD2-CB 3.79Å; L66-A267 HydrophobicContact CG-CB 4.01Å; L66-Q268 HydrophobicContact CD2-CB 4.17Å; L66-I271 HydrophobicContact CD1-CD1 3.32Å; L66-I271 HydrophobicContact CG-CD1 3.7Å
67	H	96.2	Very high	95.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.7	-40.3	175.4	-60.2	143.8	0	0	0	111.7	G62 L64 K65 L70 E71 M262	G62-H67 PolarHBondContact O-CE1 3.02Å; G62-H67 VanDerWaalsContact O-CE1 3.25Å; G62-H67 PolarHBondContact O-ND1 3.38Å; L64-H67 PolarHBondContact N-ND1 3.28Å; L64-H67 VanDerWaalsContact N-ND1 3.18Å; L64-H67 WeakPolarHBondContact O-CB 3.27Å; L64-H67 PolarHBondContact O-N 3.3Å; K65-H67 VanDerWaalsContact C-N 3.31Å; K65-H67 PolarHBondContact O-N 3.46Å; H67-L70 PolarHBondContact O-N 3.45Å; H67-E71 WeakPolarHBondContact O-CB 3.32Å; H67-E71 VanDerWaalsContact O-CG 3.29Å; H67-E71 WeakPolarHBondContact O-CG 3.33Å; H67-E71 PolarHBondContact O-N 2.85Å; H67-M262 PolarHBondContact CE1-O 3.29Å; H67-M262 PolarHBondContact NE2-O 2.73Å
68	K	96.7	Very high	95.5	Very high	89 Å²	89	47.2 Å²	47.2	39%	0.387	24%	0.24	S	C	.	.	H	α-helix	trans	-67	-45.1	178.4	-179.3	53.9	175.9	154.4	0	111.2	L64 K65 L70 E71 D72	L64-K68 PolarHBondContact O-N 2.96Å; K65-K68 PolarHBondContact O-N 3.19Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.16Å; K68-E71 PolarHBondContact O-N 2.87Å; K68-D72 WeakPolarHBondContact CE-OD2 3.33Å; K68-D72 IonicContact NZ-OD1 3.23Å; K68-D72 PolarHBondContact NZ-OD1 3.1Å; K68-D72 IonicContact NZ-OD2 3.94Å; K68-D72 PolarHBondContact NZ-OD2 2.82Å; K68-D72 PolarHBondContact O-N 3.29Å
69	E	98	Very high	95.8	Very high	56 Å²	56	46.4 Å²	46.4	26%	0.262	25%	0.245	S	C	.	.	H	α-helix	trans	-57.2	-45.2	173.4	179.5	176.8	168	0	0	111.9	K65 D72 L73 I271 R275	K65-E69 PolarHBondContact O-N 3.19Å; E69-D72 PolarHBondContact O-N 2.84Å; E69-L73 VanDerWaalsContact O-CB 3.24Å; E69-L73 WeakPolarHBondContact O-CB 3.29Å; E69-L73 PolarHBondContact O-N 2.98Å; E69-I271 HydrophobicContact CB-CD1 4.37Å; E69-I271 HydrophobicContact CG-CD1 4.09Å; E69-R275 IonicContact OE1-CZ 3.65Å; E69-R275 IonicContact OE1-NH1 3.66Å; E69-R275 IonicContact OE1-NH2 2.78Å; E69-R275 PolarHBondContact OE1-NH2 3.44Å
70	L	98.3	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-45.8	176	174.6	57.5	0	0	0	112	L66 H67 K68 D72 L73 V74 V85 M262 A267 I270 I271 I274	L66-L70 VanDerWaalsContact O-CB 3.29Å; L66-L70 WeakPolarHBondContact O-CB 3.49Å; L66-L70 PolarHBondContact O-N 2.98Å; H67-L70 PolarHBondContact O-N 3.45Å; K68-L70 VanDerWaalsContact C-N 3.32Å; K68-L70 PolarHBondContact O-N 3.16Å; L70-D72 PolarHBondContact O-N 3.21Å; L70-L73 PolarHBondContact O-N 3.28Å; L70-V74 HydrophobicContact CD1-CG2 3.78Å; L70-V74 HydrophobicContact CG-CG2 4.36Å; L70-V74 WeakPolarHBondContact O-CB 3.49Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 3.24Å; L70-V85 HydrophobicContact CD2-CB 4.32Å; L70-V85 HydrophobicContact CD2-CG1 4.02Å; L70-V85 HydrophobicContact CD2-CG2 4.08Å; L70-V85 HydrophobicContact CG-CG1 3.92Å; L70-M262 HydrophobicContact CD2-CE 4.49Å; L70-M262 HydrophobicContact CD2-SD 3.78Å; L70-A267 HydrophobicContact CD2-CB 3.97Å; L70-I270 HydrophobicContact CD1-CB 3.88Å; L70-I270 HydrophobicContact CD1-CG2 3.38Å; L70-I270 HydrophobicContact CD2-CB 4.41Å; L70-I270 HydrophobicContact CD2-CD1 4.02Å; L70-I271 HydrophobicContact CB-CD1 4.01Å; L70-I271 HydrophobicContact CB-CG1 3.91Å; L70-I271 HydrophobicContact CD1-CG1 4.02Å; L70-I274 HydrophobicContact CD1-CD1 4.33Å
71	E	98.5	Very high	96.6	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.014	22%	0.217	C	C	.	.	H	α-helix	trans	-61.2	-43.5	178.5	-76.9	171.9	-164.1	0	0	112.5	R58 H67 K68 V74 A75 A83 V85 R250	R58-E71 IonicContact CZ-OE1 2.66Å; R58-E71 VanDerWaalsContact CZ-OE1 3.26Å; R58-E71 IonicContact NH1-OE1 2.72Å; R58-E71 PolarHBondContact NH1-OE1 3.38Å; R58-E71 IonicContact NH2-OE1 3.19Å; R58-E71 PolarHBondContact NH2-OE1 3.19Å; R58-E71 IonicContact NH2-OE2 2.68Å; H67-E71 WeakPolarHBondContact O-CB 3.32Å; H67-E71 VanDerWaalsContact O-CG 3.29Å; H67-E71 WeakPolarHBondContact O-CG 3.33Å; H67-E71 PolarHBondContact O-N 2.85Å; K68-E71 PolarHBondContact O-N 2.87Å; E71-V74 PolarHBondContact O-N 3.18Å; E71-A75 WeakPolarHBondContact O-CB 3.39Å; E71-A75 PolarHBondContact O-N 2.71Å; E71-A83 WeakPolarHBondContact CG-O 3.04Å; E71-V85 HydrophobicContact CG-CB 4.48Å; E71-V85 HydrophobicContact CG-CG1 4.04Å; E71-V85 HydrophobicContact CG-CG2 3.99Å; E71-R250 IonicContact OE2-CZ 3.77Å; E71-R250 IonicContact OE2-NE 2.87Å; E71-R250 IonicContact OE2-NH2 2.74Å; E71-R250 PolarHBondContact OE2-NH2 3.01Å
72	D	98.6	Very high	97	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	19%	0.187	S	C	.	.	H	α-helix	trans	-68	-40.3	178.7	-66.9	-25.5	0	0	0	110.9	K68 E69 L70 A75 E76	K68-D72 WeakPolarHBondContact CE-OD2 3.33Å; K68-D72 IonicContact NZ-OD1 3.23Å; K68-D72 PolarHBondContact NZ-OD1 3.1Å; K68-D72 IonicContact NZ-OD2 3.94Å; K68-D72 PolarHBondContact NZ-OD2 2.82Å; K68-D72 PolarHBondContact O-N 3.29Å; E69-D72 PolarHBondContact O-N 2.84Å; L70-D72 PolarHBondContact O-N 3.21Å; D72-A75 PolarHBondContact O-N 2.65Å; D72-E76 WeakPolarHBondContact O-CB 3.36Å; D72-E76 PolarHBondContact O-N 3.4Å
73	L	98.4	Very high	97.3	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.052	19%	0.188	C	C	.	.	H	α-helix	trans	-66.4	-39.4	176.4	-172.9	67.6	0	0	0	112.5	E69 L70 F77 I271 I274 R275 M278 K280	E69-L73 VanDerWaalsContact O-CB 3.24Å; E69-L73 WeakPolarHBondContact O-CB 3.29Å; E69-L73 PolarHBondContact O-N 2.98Å; L70-L73 PolarHBondContact O-N 3.28Å; L73-F77 VanDerWaalsContact O-CB 3.3Å; L73-F77 WeakPolarHBondContact O-CB 3.31Å; L73-F77 PolarHBondContact O-N 2.79Å; L73-I271 HydrophobicContact CD2-CB 4.35Å; L73-I271 HydrophobicContact CD2-CG1 4.4Å; L73-I271 HydrophobicContact CD2-CG2 4.11Å; L73-I274 HydrophobicContact CD1-CG2 4.18Å; L73-I274 HydrophobicContact CD2-CB 3.8Å; L73-I274 HydrophobicContact CD2-CG2 3.76Å; L73-I274 HydrophobicContact CG-CB 4.24Å; L73-I274 HydrophobicContact CG-CG2 3.64Å; L73-R275 HydrophobicContact CD1-CG 4.32Å; L73-R275 HydrophobicContact CD2-CG 3.89Å; L73-M278 HydrophobicContact CD1-SD 3.75Å; L73-M278 HydrophobicContact CG-SD 4.49Å; L73-K280 HydrophobicContact CD1-CD 4.41Å
74	V	98.6	Very high	97.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-64.3	-47.1	175.2	168.6	0	0	0	0	110.3	L70 E71 E76 F77 V78 A83 V85 F228 Y238 I274	L70-V74 HydrophobicContact CD1-CG2 3.78Å; L70-V74 HydrophobicContact CG-CG2 4.36Å; L70-V74 WeakPolarHBondContact O-CB 3.49Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 3.24Å; E71-V74 PolarHBondContact O-N 3.18Å; V74-E76 VanDerWaalsContact C-N 3.31Å; V74-E76 PolarHBondContact O-N 3.1Å; V74-F77 PolarHBondContact O-N 2.8Å; V74-F77 VanDerWaalsContact O-N 3.13Å; V74-V78 WeakPolarHBondContact O-CG2 3.47Å; V74-V78 PolarHBondContact O-N 2.76Å; V74-A83 HydrophobicContact CB-CB 4Å; V74-A83 HydrophobicContact CG1-CB 3.62Å; V74-V85 HydrophobicContact CG2-CG1 4.46Å; V74-F228 HydrophobicContact CG2-CE1 4.02Å; V74-F228 HydrophobicContact CG2-CZ 3.84Å; V74-Y238 HydrophobicContact CG1-CD1 4.02Å; V74-Y238 HydrophobicContact CG1-CD2 3.56Å; V74-Y238 HydrophobicContact CG1-CE1 4.33Å; V74-Y238 HydrophobicContact CG1-CE2 3.94Å; V74-Y238 HydrophobicContact CG1-CG 3.61Å; V74-I274 HydrophobicContact CG2-CD1 3.79Å
75	A	98.6	Very high	97.7	Very high	7 Å²	7	32.1 Å²	32.1	6%	0.058	16%	0.158	C	C	.	.	H	α-helix	trans	-57	-45.6	178.1	0	0	0	0	0	111.5	E71 D72 G79 Q80 A83	E71-A75 WeakPolarHBondContact O-CB 3.39Å; E71-A75 PolarHBondContact O-N 2.71Å; D72-A75 PolarHBondContact O-N 2.65Å; A75-G79 PolarHBondContact O-N 2.87Å; A75-Q80 CarbonylContact C-O 3.58Å; A75-Q80 PolarHBondContact O-N 3.36Å; A75-A83 HydrophobicContact CB-CB 4.17Å
76	E	98.3	Very high	97.8	Very high	97 Å²	97	24.2 Å²	24.2	45%	0.453	12%	0.124	S	C	.	.	H	α-helix	trans	-62.3	-44.5	174.6	-171.3	-170	157.4	0	0	112.1	D72 V74 V78 G79 M278 K280	D72-E76 WeakPolarHBondContact O-CB 3.36Å; D72-E76 PolarHBondContact O-N 3.4Å; V74-E76 VanDerWaalsContact C-N 3.31Å; V74-E76 PolarHBondContact O-N 3.1Å; E76-V78 PolarHBondContact O-N 3.38Å; E76-G79 PolarHBondContact O-N 3.01Å; E76-M278 HydrophobicContact CB-CE 4.48Å; E76-M278 HydrophobicContact CG-CE 3.85Å; E76-M278 VanDerWaalsContact OE1-CE 3.24Å; E76-M278 WeakPolarHBondContact OE1-CE 3.44Å; E76-K280 VanDerWaalsContact OE1-CE 3.29Å; E76-K280 WeakPolarHBondContact OE1-CE 3.28Å; E76-K280 IonicContact OE1-NZ 3.65Å; E76-K280 PolarHBondContact OE1-NZ 3.25Å; E76-K280 IonicContact OE2-NZ 2.89Å; E76-K280 PolarHBondContact OE2-NZ 2.99Å
77	F	98.2	Very high	97.6	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.137	C	C	.	.	H	α-helix	trans	-62.8	-44	-178.3	-177	-115.1	0	0	0	112.3	L73 V74 I200 G207 R208 F232 I274 I277 M278	L73-F77 VanDerWaalsContact O-CB 3.3Å; L73-F77 WeakPolarHBondContact O-CB 3.31Å; L73-F77 PolarHBondContact O-N 2.79Å; V74-F77 PolarHBondContact O-N 2.8Å; V74-F77 VanDerWaalsContact O-N 3.13Å; F77-I200 HydrophobicContact CD1-CD1 4.12Å; F77-I200 HydrophobicContact CE1-CD1 3.59Å; F77-I200 HydrophobicContact CE1-CG1 3.97Å; F77-G207 WeakPolarHBondContact CZ-O 3.35Å; F77-R208 HydrophobicContact CD2-CG 4.35Å; F77-R208 HydrophobicContact CE2-CG 4.01Å; F77-R208 HydrophobicContact CZ-CG 4.16Å; F77-R208 WeakPolarHBondContact O-CD 3.25Å; F77-R208 WeakPolarHBondContact O-CG 3.45Å; F77-R208 PolarHBondContact O-NE 3.09Å; F77-F232 HydrophobicContact CD1-CZ 4.45Å; F77-F232 HydrophobicContact CE1-CE1 4.17Å; F77-F232 AromaticContact CE1-CZ 3.92Å; F77-F232 HydrophobicContact CE1-CZ 3.92Å; F77-I274 HydrophobicContact CB-CG2 3.91Å; F77-I274 HydrophobicContact CD2-CG2 4.06Å; F77-I274 HydrophobicContact CG-CG2 3.92Å; F77-I277 HydrophobicContact CE2-CB 4.42Å; F77-I277 HydrophobicContact CE2-CG2 3.64Å; F77-I277 HydrophobicContact CZ-CG2 3.83Å; F77-M278 HydrophobicContact CB-SD 4.16Å; F77-M278 HydrophobicContact CD2-CG 3.6Å; F77-M278 HydrophobicContact CD2-SD 3.97Å; F77-M278 HydrophobicContact CE2-CG 4.13Å
78	V	97.8	Very high	97.5	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-87.3	-5.4	-179.2	-55	0	0	0	0	113.8	V74 E76 Q80 I200 P218 Y238 A240	V74-V78 WeakPolarHBondContact O-CG2 3.47Å; V74-V78 PolarHBondContact O-N 2.76Å; E76-V78 PolarHBondContact O-N 3.38Å; V78-Q80 HydrophobicContact CG2-CB 3.81Å; V78-Q80 HydrophobicContact CG2-CG 3.63Å; V78-I200 HydrophobicContact CG1-CD1 4.13Å; V78-P218 WeakPolarHBondContact O-CB 3.45Å; V78-Y238 HydrophobicContact CG1-CE2 3.92Å; V78-Y238 WeakPolarHBondContact CG1-OH 3.42Å; V78-A240 HydrophobicContact CG2-CB 3.58Å
79	G	97.5	Very high	97.3	Very high	27 Å²	27	27 Å²	27	28%	0.278	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	29.3	-179.8	0	0	0	0	0	114.6	A75 E76	A75-G79 PolarHBondContact O-N 2.87Å; E76-G79 PolarHBondContact O-N 3.01Å
80	Q	98.3	Very high	97.2	Very high	18 Å²	18	27.9 Å²	27.9	8%	0.084	15%	0.149	C	C	.	.			trans	-107.4	162.1	178.3	-68.2	-71.7	-0.4	0	0	111.3	A75 V78 A82 P218 I221 S224 A240	A75-Q80 CarbonylContact C-O 3.58Å; A75-Q80 PolarHBondContact O-N 3.36Å; V78-Q80 HydrophobicContact CG2-CB 3.81Å; V78-Q80 HydrophobicContact CG2-CG 3.63Å; Q80-A82 PolarHBondContact O-N 3.18Å; Q80-P218 PolarHBondContact NE2-O 2.97Å; Q80-I221 PolarHBondContact NE2-O 3.33Å; Q80-S224 PolarHBondContact NE2-OG 3.03Å; Q80-A240 HydrophobicContact CB-CB 3.88Å; Q80-A240 HydrophobicContact CG-CB 3.9Å
81	E	98.3	Very high	97	Very high	101 Å²	101	28.4 Å²	28.4	47%	0.472	15%	0.153	S	C	.	.	S	Bend	trans	-70	-32.5	-177	-63.1	-177.3	170.6	0	0	113.6	G241 N242 R243	E81-G241 PolarHBondContact N-O 3.18Å; E81-N242 WeakPolarHBondContact OE2-CA 3.28Å; E81-R243 HydrophobicContact CB-CB 4.38Å; E81-R243 PolarHBondContact O-NH2 2.72Å; E81-R243 PolarHBondContact OE2-N 2.98Å
82	A	98.6	Very high	96.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	159.5	-179.9	0	0	0	0	0	110.6	Q80 A240 G241 I246	Q80-A82 PolarHBondContact O-N 3.18Å; A82-A240 VanDerWaalsContact O-CA 3.26Å; A82-A240 WeakPolarHBondContact O-CA 3.42Å; A82-G241 PolarHBondContact N-O 3.27Å; A82-G241 VanDerWaalsContact N-O 3.14Å; A82-G241 PolarHBondContact O-N 3.28Å; A82-I246 HydrophobicContact CB-CB 3.82Å; A82-I246 HydrophobicContact CB-CG1 3.86Å; A82-I246 HydrophobicContact CB-CG2 4.02Å
83	A	98.5	Very high	96.9	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.6	168	0	0	0	0	0	110.9	E71 V74 A75 L239 A240 R250	E71-A83 WeakPolarHBondContact CG-O 3.04Å; V74-A83 HydrophobicContact CB-CB 4Å; V74-A83 HydrophobicContact CG1-CB 3.62Å; A75-A83 HydrophobicContact CB-CB 4.17Å; A83-L239 CarbonylContact C-O 3.6Å; A83-L239 WeakPolarHBondContact CA-O 3.15Å; A83-A240 HydrophobicContact CB-CB 3.85Å; A83-R250 PolarHBondContact O-NH2 3.37Å
84	I	97.5	Very high	96.8	Very high	5 Å²	5	25.1 Å²	25.1	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	139	167.8	-174.9	174.2	0	0	0	108.4	F86 Y238 L239 I246 R250 A256	I84-F86 HydrophobicContact CB-CZ 4.39Å; I84-F86 HydrophobicContact CD1-CE1 3.93Å; I84-F86 HydrophobicContact CD1-CZ 3.95Å; I84-F86 HydrophobicContact CG1-CE1 4.14Å; I84-F86 HydrophobicContact CG1-CZ 4.02Å; I84-F86 HydrophobicContact CG2-CE1 4.5Å; I84-F86 HydrophobicContact CG2-CE2 3.78Å; I84-F86 HydrophobicContact CG2-CZ 3.57Å; I84-Y238 CarbonylContact O-C 3.22Å; I84-Y238 WeakPolarHBondContact O-CA 3.24Å; I84-Y238 WeakPolarHBondContact O-CB 3.48Å; I84-L239 HydrophobicContact CG2-CB 4.08Å; I84-L239 PolarHBondContact N-O 3.49Å; I84-L239 PolarHBondContact O-N 2.84Å; I84-I246 HydrophobicContact CB-CG2 3.85Å; I84-I246 HydrophobicContact CG2-CG2 4.05Å; I84-R250 HydrophobicContact CD1-CB 4.26Å; I84-R250 HydrophobicContact CD1-CG 3.58Å; I84-R250 HydrophobicContact CG1-CG 4.31Å; I84-A256 HydrophobicContact CD1-CB 4.16Å
85	V	97.3	Very high	96.6	Very high	5 Å²	5	28 Å²	28	3%	0.03	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	148.1	-178	-60.6	0	0	0	0	112.6	L70 E71 V74 F228 G237 M262	L70-V85 HydrophobicContact CD2-CB 4.32Å; L70-V85 HydrophobicContact CD2-CG1 4.02Å; L70-V85 HydrophobicContact CD2-CG2 4.08Å; L70-V85 HydrophobicContact CG-CG1 3.92Å; E71-V85 HydrophobicContact CG-CB 4.48Å; E71-V85 HydrophobicContact CG-CG1 4.04Å; E71-V85 HydrophobicContact CG-CG2 3.99Å; V74-V85 HydrophobicContact CG2-CG1 4.46Å; V85-F228 HydrophobicContact CB-CE2 4.31Å; V85-F228 HydrophobicContact CG1-CE2 4.03Å; V85-F228 HydrophobicContact CG1-CZ 4Å; V85-G237 WeakPolarHBondContact CA-O 3.25Å; V85-M262 HydrophobicContact CB-CE 4.29Å
86	F	95.7	Very high	96.5	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.031	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.7	-176.6	-52.1	-73	0	0	0	111	I84 M88 T92 N96 G236 G237 L239 S253 N255 M262	I84-F86 HydrophobicContact CB-CZ 4.39Å; I84-F86 HydrophobicContact CD1-CE1 3.93Å; I84-F86 HydrophobicContact CD1-CZ 3.95Å; I84-F86 HydrophobicContact CG1-CE1 4.14Å; I84-F86 HydrophobicContact CG1-CZ 4.02Å; I84-F86 HydrophobicContact CG2-CE1 4.5Å; I84-F86 HydrophobicContact CG2-CE2 3.78Å; I84-F86 HydrophobicContact CG2-CZ 3.57Å; F86-M88 PolarHBondContact O-N 3.19Å; F86-T92 HydrophobicContact CD2-CG2 3.69Å; F86-T92 HydrophobicContact CE2-CG2 4.06Å; F86-N96 WeakPolarHBondContact CE2-ND2 3.44Å; F86-N96 WeakPolarHBondContact CZ-ND2 3.46Å; F86-N96 WeakPolarHBondContact CZ-OD1 3.37Å; F86-G236 CarbonylContact O-C 3.56Å; F86-G236 WeakPolarHBondContact O-CA 3.39Å; F86-G237 PolarHBondContact N-O 3.48Å; F86-G237 PolarHBondContact O-N 3.27Å; F86-L239 HydrophobicContact CE2-CB 4.31Å; F86-L239 HydrophobicContact CE2-CD1 3.97Å; F86-L239 HydrophobicContact CE2-CG 3.87Å; F86-L239 HydrophobicContact CZ-CD1 4.37Å; F86-S253 WeakPolarHBondContact CE1-OG 3.14Å; F86-N255 HydrophobicContact CB-CB 4.46Å; F86-N255 HydrophobicContact CD1-CB 3.28Å; F86-N255 HydrophobicContact CE1-CB 3.71Å; F86-N255 HydrophobicContact CG-CB 4.1Å; F86-M262 WeakPolarHBondContact O-CE 3.37Å
87	S	92.6	Very high	96.4	Very high	42 Å²	42	23 Å²	23	29%	0.294	13%	0.127	S	C	.	.	S	Bend	trans	-78.1	-13.4	-173.7	49.2	0	0	0	0	115.1	G236 C260	S87-G236 VanDerWaalsContact C-CA 3.45Å; S87-G236 WeakPolarHBondContact O-CA 3.25Å; S87-C260 PolarHBondContact OG-O 3.26Å
88	M	93.4	Very high	96.3	Very high	103 Å²	103	24.6 Å²	24.6	51%	0.507	14%	0.137	S	C	.	.			trans	-141.9	126.1	178.5	-174.7	-168.1	-160.3	0	0	112.4	F86 F90 S91 T92	F86-M88 PolarHBondContact O-N 3.19Å; M88-F90 HydrophobicContact CE-CB 3.94Å; M88-F90 HydrophobicContact CG-CB 4.29Å; M88-F90 PolarHBondContact O-N 3.44Å; M88-F90 HydrophobicContact SD-CB 4.18Å; M88-S91 PolarHBondContact O-N 3.31Å; M88-S91 PolarHBondContact O-OG 2.93Å; M88-S91 VanDerWaalsContact O-OG 3.05Å; M88-T92 PolarHBondContact O-N 2.82Å; M88-T92 PolarHBondContact O-OG1 3.18Å; M88-T92 VanDerWaalsContact O-OG1 3.06Å
89	G	93	Very high	96.2	Very high	8 Å²	8	24.9 Å²	24.9	8%	0.082	14%	0.139	C	C	.	.	H	α-helix	trans	-61.9	-37.1	179.9	0	0	0	0	0	114.4	T92 M225	G89-T92 WeakPolarHBondContact O-CB 3.42Å; G89-T92 PolarHBondContact O-N 2.74Å; G89-M225 VanDerWaalsContact O-CE 3.24Å; G89-M225 WeakPolarHBondContact O-CE 3.49Å
90	F	95.7	Very high	96.2	Very high	74 Å²	74	24.3 Å²	24.3	33%	0.325	13%	0.13	S	C	.	.	H	α-helix	trans	-64.9	-40.5	176	-173.8	-79.5	0	0	0	112.1	M88 T92 N93 S94 S116 L119	M88-F90 HydrophobicContact CE-CB 3.94Å; M88-F90 HydrophobicContact CG-CB 4.29Å; M88-F90 PolarHBondContact O-N 3.44Å; M88-F90 HydrophobicContact SD-CB 4.18Å; F90-T92 VanDerWaalsContact C-N 3.34Å; F90-N93 PolarHBondContact O-N 3.08Å; F90-S94 PolarHBondContact O-N 3.39Å; F90-S94 VanDerWaalsContact O-N 3.16Å; F90-S94 PolarHBondContact O-OG 3.4Å; F90-S116 VanDerWaalsContact CD2-CB 3.49Å; F90-L119 HydrophobicContact CE1-CD2 3.78Å; F90-L119 HydrophobicContact CZ-CD2 3.92Å
91	S	94.6	Very high	96.1	Very high	11 Å²	11	23.8 Å²	23.8	8%	0.077	13%	0.128	C	C	.	.	H	α-helix	trans	-73.4	-27.7	178.4	80.8	0	0	0	0	112	M88 N93 S94 L95 N255	M88-S91 PolarHBondContact O-N 3.31Å; M88-S91 PolarHBondContact O-OG 2.93Å; M88-S91 VanDerWaalsContact O-OG 3.05Å; S91-N93 VanDerWaalsContact C-N 3.26Å; S91-N93 PolarHBondContact O-N 3.07Å; S91-S94 WeakPolarHBondContact CA-OG 3.49Å; S91-S94 PolarHBondContact O-N 3.45Å; S91-L95 WeakPolarHBondContact O-CB 3.3Å; S91-L95 PolarHBondContact O-N 2.93Å; S91-N255 WeakPolarHBondContact CB-OD1 3.23Å; S91-N255 PolarHBondContact O-ND2 2.8Å; S91-N255 PolarHBondContact OG-ND2 2.62Å; S91-N255 PolarHBondContact OG-OD1 2.88Å
92	T	96.6	Very high	96	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-53.4	-44.4	172.7	-60.4	0	0	0	0	111.4	F86 M88 G89 F90 N96 M225 L239	F86-T92 HydrophobicContact CD2-CG2 3.69Å; F86-T92 HydrophobicContact CE2-CG2 4.06Å; M88-T92 PolarHBondContact O-N 2.82Å; M88-T92 PolarHBondContact O-OG1 3.18Å; M88-T92 VanDerWaalsContact O-OG1 3.06Å; G89-T92 WeakPolarHBondContact O-CB 3.42Å; G89-T92 PolarHBondContact O-N 2.74Å; F90-T92 VanDerWaalsContact C-N 3.34Å; T92-N96 VanDerWaalsContact O-CB 3.29Å; T92-N96 WeakPolarHBondContact O-CB 3.46Å; T92-N96 PolarHBondContact O-ND2 3Å; T92-M225 HydrophobicContact CG2-CE 3.96Å; T92-M225 HydrophobicContact CG2-CG 3.84Å; T92-L239 HydrophobicContact CG2-CD2 3.86Å; T92-L239 HydrophobicContact CG2-CG 3.86Å
93	N	97.2	Very high	95.9	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-73.6	-60.1	175	-79	-29.8	0	0	0	111.4	F90 S91 L95 N96 L97 S116 L117 Y193 D195 M225	F90-N93 PolarHBondContact O-N 3.08Å; S91-N93 VanDerWaalsContact C-N 3.26Å; S91-N93 PolarHBondContact O-N 3.07Å; N93-L95 VanDerWaalsContact C-N 3.34Å; N93-L95 PolarHBondContact O-N 3.29Å; N93-N96 PolarHBondContact O-N 3.33Å; N93-L97 PolarHBondContact O-N 3.08Å; N93-S116 PolarHBondContact ND2-OG 2.68Å; N93-L117 HydrophobicContact CB-CD2 4.03Å; N93-L117 VanDerWaalsContact CG-CD2 3.41Å; N93-L117 VanDerWaalsContact OD1-CD2 3.3Å; N93-L117 WeakPolarHBondContact OD1-CD2 3.35Å; N93-Y193 WeakPolarHBondContact OD1-CE1 3.5Å; N93-Y193 PolarHBondContact OD1-OH 2.87Å; N93-D195 PolarHBondContact ND2-OD2 3.42Å; N93-M225 HydrophobicContact CB-CE 4.48Å; N93-M225 VanDerWaalsContact CG-CE 3.46Å; N93-M225 WeakPolarHBondContact ND2-CE 3.48Å; N93-M225 WeakPolarHBondContact OD1-CE 3.16Å; N93-M225 WeakPolarHBondContact OD1-CG 3.35Å
94	S	95.8	Very high	95.8	Very high	7 Å²	7	31 Å²	31	5%	0.049	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-31.2	-166.7	51.7	0	0	0	0	114.6	F90 S91 P98	F90-S94 PolarHBondContact O-N 3.39Å; F90-S94 VanDerWaalsContact O-N 3.16Å; F90-S94 PolarHBondContact O-OG 3.4Å; S91-S94 WeakPolarHBondContact CA-OG 3.49Å; S91-S94 PolarHBondContact O-N 3.45Å; S94-P98 WeakPolarHBondContact O-CD 3.12Å
95	L	94.8	Very high	95.8	Very high	62 Å²	62	30.7 Å²	30.7	33%	0.325	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.9	1	-176.5	-60.2	-174.3	0	0	0	114.4	S91 N93 Y254	S91-L95 WeakPolarHBondContact O-CB 3.3Å; S91-L95 PolarHBondContact O-N 2.93Å; N93-L95 VanDerWaalsContact C-N 3.34Å; N93-L95 PolarHBondContact O-N 3.29Å; L95-Y254 WeakPolarHBondContact O-CD2 3.45Å
96	N	96.3	Very high	95.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	-27.3	174.1	-68.9	-74.3	0	0	0	113.4	F86 T92 N93 P98 C99 L100 L239 S253 N255	F86-N96 WeakPolarHBondContact CE2-ND2 3.44Å; F86-N96 WeakPolarHBondContact CZ-ND2 3.46Å; F86-N96 WeakPolarHBondContact CZ-OD1 3.37Å; T92-N96 VanDerWaalsContact O-CB 3.29Å; T92-N96 WeakPolarHBondContact O-CB 3.46Å; T92-N96 PolarHBondContact O-ND2 3Å; N93-N96 PolarHBondContact O-N 3.33Å; N96-P98 VanDerWaalsContact C-CD 3.47Å; N96-P98 VanDerWaalsContact C-N 3.31Å; N96-C99 VanDerWaalsContact O-CB 3.3Å; N96-C99 WeakPolarHBondContact O-CB 3.43Å; N96-C99 PolarHBondContact O-N 3.21Å; N96-L100 WeakPolarHBondContact O-CG 3.31Å; N96-L100 PolarHBondContact O-N 3.49Å; N96-L239 HydrophobicContact CB-CD1 3.54Å; N96-S253 WeakPolarHBondContact OD1-CB 3.28Å; N96-S253 PolarHBondContact OD1-OG 2.81Å; N96-N255 PolarHBondContact ND2-ND2 3.32Å
97	L	97.3	Very high	96	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-52.9	-42.3	173	-81.3	166.6	0	0	0	112.9	N93 C99 L100 V101 L117 T124 L162 Y193	N93-L97 PolarHBondContact O-N 3.08Å; L97-C99 PolarHBondContact O-N 2.91Å; L97-L100 HydrophobicContact CD2-CD1 4.45Å; L97-L100 WeakPolarHBondContact O-CB 3.41Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-V101 PolarHBondContact O-N 2.73Å; L97-L117 HydrophobicContact CD1-CD2 4.21Å; L97-T124 HydrophobicContact CB-CG2 4.06Å; L97-L162 HydrophobicContact CD2-CD2 3.91Å; L97-Y193 HydrophobicContact CD2-CD2 3.88Å; L97-Y193 HydrophobicContact CD2-CE2 3.9Å; L97-Y193 HydrophobicContact CD2-CG 4.42Å; L97-Y193 HydrophobicContact CG-CE2 4.3Å
98	P	96	Very high	96.3	Very high	35 Å²	35	28.1 Å²	28.1	23%	0.227	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-19.6	175.2	-23.8	35.2	0	0	0	115	S94 N96 L100 L123 T124 Y254	S94-P98 WeakPolarHBondContact O-CD 3.12Å; N96-P98 VanDerWaalsContact C-CD 3.47Å; N96-P98 VanDerWaalsContact C-N 3.31Å; P98-L100 VanDerWaalsContact C-N 3.33Å; P98-L123 HydrophobicContact CG-CB 3.7Å; P98-T124 HydrophobicContact CB-CG2 4.36Å; P98-T124 HydrophobicContact CG-CG2 4.18Å; P98-Y254 HydrophobicContact CB-CE2 4.46Å
99	C	95.6	Very high	96.5	Very high	15 Å²	15	23.5 Å²	23.5	10%	0.101	12%	0.122	C	C	.	.	H	α-helix	trans	-80.3	-19.4	174.5	-54.6	0	0	0	0	111.9	N96 L97 Y248 L249 V252	N96-C99 VanDerWaalsContact O-CB 3.3Å; N96-C99 WeakPolarHBondContact O-CB 3.43Å; N96-C99 PolarHBondContact O-N 3.21Å; L97-C99 PolarHBondContact O-N 2.91Å; C99-Y248 WeakPolarHBondContact O-CE1 3.3Å; C99-Y248 PolarHBondContact O-OH 3.38Å; C99-L249 HydrophobicContact CB-CD2 3.97Å; C99-V252 HydrophobicContact CB-CG2 3.87Å; C99-V252 PolarHBondContact SG-O 3.07Å
100	L	96.5	Very high	96.8	Very high	15 Å²	15	23.2 Å²	23.2	8%	0.079	12%	0.118	C	C	.	.	H	α-helix	trans	-98.5	-36.3	-172	-63.5	170.2	0	0	0	113	N96 L97 P98 K160 Y193 I223 L245 L249	N96-L100 WeakPolarHBondContact O-CG 3.31Å; N96-L100 PolarHBondContact O-N 3.49Å; L97-L100 HydrophobicContact CD2-CD1 4.45Å; L97-L100 WeakPolarHBondContact O-CB 3.41Å; L97-L100 PolarHBondContact O-N 3.43Å; P98-L100 VanDerWaalsContact C-N 3.33Å; L100-K160 WeakPolarHBondContact O-CE 3.26Å; L100-K160 PolarHBondContact O-NZ 3.16Å; L100-Y193 HydrophobicContact CD1-CD2 3.96Å; L100-Y193 HydrophobicContact CD1-CE2 3.76Å; L100-I223 HydrophobicContact CD1-CD1 3.4Å; L100-I223 VanDerWaalsContact CD1-CD1 3.4Å; L100-I223 HydrophobicContact CD2-CD1 3.71Å; L100-I223 HydrophobicContact CG-CD1 4.13Å; L100-L245 HydrophobicContact CD2-CD1 3.66Å; L100-L249 HydrophobicContact CD2-CD1 4.43Å; L100-L249 HydrophobicContact CD2-CD2 3.96Å; L100-L249 HydrophobicContact CD2-CG 4.46Å; L100-L249 HydrophobicContact CG-CD2 4.39Å
101	V	97	Very high	96.8	Very high	7 Å²	7	24.1 Å²	24.1	4%	0.042	12%	0.123	C	C	.	.			trans	-138.6	151.3	-177.4	-65.2	0	0	0	0	110.6	L97 C105 V107 T124 A126 L162	L97-V101 PolarHBondContact O-N 2.73Å; V101-C105 HydrophobicContact CB-CB 3.74Å; V101-C105 HydrophobicContact CG1-CB 4.06Å; V101-V107 HydrophobicContact CG2-CG2 3.84Å; V101-T124 HydrophobicContact CG2-CG2 3.6Å; V101-T124 WeakPolarHBondContact O-CB 3.46Å; V101-A126 HydrophobicContact CG2-CB 4.36Å; V101-L162 HydrophobicContact CG1-CB 4.06Å; V101-L162 HydrophobicContact CG1-CD2 3.97Å
102	D	96.3	Very high	96.9	Very high	58 Å²	58	26.5 Å²	26.5	31%	0.31	14%	0.135	S	C	.	.			trans	-129	-175.7	-176.4	65.9	12.8	0	0	0	110.9	D104 C105 T124 A126 K159	D102-D104 PolarHBondContact O-N 3.27Å; D102-D104 WeakPolarHBondContact OD1-CA 2.87Å; D102-D104 WeakPolarHBondContact OD1-CB 3.44Å; D102-D104 PolarHBondContact OD1-N 2.93Å; D102-C105 WeakPolarHBondContact O-CB 3.39Å; D102-C105 PolarHBondContact O-N 3.13Å; D102-C105 PolarHBondContact OD1-N 2.85Å; D102-C105 PolarHBondContact OD1-SG 2.91Å; D102-T124 CarbonylContact C-O 3.55Å; D102-A126 VanDerWaalsContact O-CA 3.31Å; D102-A126 WeakPolarHBondContact O-CA 3.5Å; D102-A126 VanDerWaalsContact O-CB 3.27Å; D102-A126 WeakPolarHBondContact O-CB 3.4Å; D102-K159 IonicContact OD2-NZ 2.74Å; D102-K159 PolarHBondContact OD2-NZ 3.2Å
103	K	96	Very high	96.9	Very high	155 Å²	155	27 Å²	27	67%	0.674	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-17.9	176.4	68.6	-178.2	179.6	-176.2	0	116	G125	K103-G125 WeakPolarHBondContact CA-O 3.32Å
104	D	96.4	Very high	96.8	Very high	40 Å²	40	30.3 Å²	30.3	21%	0.214	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	3.8	179.3	-69.3	-39	0	0	0	112.9	D102 R151 Y158 K159	D102-D104 PolarHBondContact O-N 3.27Å; D102-D104 WeakPolarHBondContact OD1-CA 2.87Å; D102-D104 WeakPolarHBondContact OD1-CB 3.44Å; D102-D104 PolarHBondContact OD1-N 2.93Å; D104-R151 VanDerWaalsContact CB-NH1 3.26Å; D104-R151 PolarHBondContact O-NE 2.85Å; D104-R151 IonicContact OD1-CZ 3.54Å; D104-R151 IonicContact OD1-NH1 3.6Å; D104-R151 PolarHBondContact OD1-NH1 2.79Å; D104-R151 IonicContact OD2-NH1 3.8Å; D104-Y158 WeakPolarHBondContact O-CA 3.4Å; D104-K159 HydrophobicContact CB-CD 3.66Å; D104-K159 HydrophobicContact CB-CG 3.94Å; D104-K159 PolarHBondContact O-N 3.41Å; D104-K159 VanDerWaalsContact OD2-CE 3.28Å; D104-K159 WeakPolarHBondContact OD2-CE 3.4Å; D104-K159 IonicContact OD2-NZ 3.72Å; D104-K159 PolarHBondContact OD2-NZ 3.48Å
105	C	98	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-107.8	164.4	179.3	-58.4	0	0	0	0	111.9	V101 D102 A126 T127 K160	V101-C105 HydrophobicContact CB-CB 3.74Å; V101-C105 HydrophobicContact CG1-CB 4.06Å; D102-C105 WeakPolarHBondContact O-CB 3.39Å; D102-C105 PolarHBondContact O-N 3.13Å; D102-C105 PolarHBondContact OD1-N 2.85Å; D102-C105 PolarHBondContact OD1-SG 2.91Å; C105-A126 HydrophobicContact CB-CB 4.4Å; C105-T127 PolarHBondContact O-N 3.2Å; C105-K160 WeakPolarHBondContact CA-O 3.06Å; C105-K160 HydrophobicContact CB-CB 4.43Å; C105-K160 WeakPolarHBondContact CB-O 3.07Å
106	C	98.2	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.9	170.5	-171.4	0	0	0	0	109.8	T127 Y158 K160 I161 L162	C106-T127 CarbonylContact C-O 3.59Å; C106-T127 WeakPolarHBondContact CA-O 3.22Å; C106-Y158 HydrophobicContact CB-CD1 3.65Å; C106-Y158 HydrophobicContact CB-CD2 3.64Å; C106-Y158 HydrophobicContact CB-CE1 3.7Å; C106-Y158 HydrophobicContact CB-CE2 3.71Å; C106-Y158 HydrophobicContact CB-CG 3.61Å; C106-K160 PolarHBondContact N-O 3.29Å; C106-I161 HydrophobicContact CB-CG1 4.25Å; C106-I161 CarbonylContact O-C 3.52Å; C106-I161 WeakPolarHBondContact O-CA 2.95Å; C106-L162 PolarHBondContact O-N 2.74Å
107	V	98.5	Very high	96.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.5	169.2	178.7	0	0	0	0	108.6	V101 A126 T127 V128 R129 L162 V164	V101-V107 HydrophobicContact CG2-CG2 3.84Å; V107-A126 HydrophobicContact CG2-CB 3.99Å; V107-T127 PolarHBondContact N-O 2.94Å; V107-V128 HydrophobicContact CB-CG2 4.42Å; V107-V128 CarbonylContact O-C 3.54Å; V107-V128 WeakPolarHBondContact O-CA 3.46Å; V107-R129 PolarHBondContact O-N 3.07Å; V107-L162 CarbonylContact C-O 3.44Å; V107-L162 WeakPolarHBondContact CA-O 3.42Å; V107-V164 HydrophobicContact CG1-CB 4.33Å; V107-V164 HydrophobicContact CG1-CG2 3.58Å
108	V	98.5	Very high	96.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.3	173.2	-179.1	0	0	0	0	107.5	R129 F131 L139 V142 L143 I161 L162 V163 V164	V108-R129 CarbonylContact C-O 3.55Å; V108-R129 VanDerWaalsContact CA-O 3.32Å; V108-R129 WeakPolarHBondContact CA-O 3.45Å; V108-F131 HydrophobicContact CG1-CD1 3.69Å; V108-F131 HydrophobicContact CG1-CE1 4.22Å; V108-L139 HydrophobicContact CG1-CD1 3.57Å; V108-V142 HydrophobicContact CG1-CB 4.37Å; V108-V142 HydrophobicContact CG1-CG1 3.74Å; V108-V142 HydrophobicContact CG2-CG1 4.05Å; V108-L143 HydrophobicContact CG2-CD2 4.08Å; V108-I161 HydrophobicContact CG2-CG2 3.99Å; V108-L162 PolarHBondContact N-O 3.4Å; V108-V163 HydrophobicContact CB-CG2 4.38Å; V108-V163 CarbonylContact O-C 3.56Å; V108-V163 VanDerWaalsContact O-CA 3.32Å; V108-V163 WeakPolarHBondContact O-CA 3.39Å; V108-V164 PolarHBondContact O-N 2.87Å
109	S	98.4	Very high	97	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.042	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	136.6	-172.3	177.4	0	0	0	0	110.8	N113 R129 R130 F131	S109-N113 PolarHBondContact OG-ND2 3.24Å; S109-R129 PolarHBondContact N-O 2.91Å; S109-R130 VanDerWaalsContact O-CA 3.26Å; S109-R130 WeakPolarHBondContact O-CA 3.34Å; S109-F131 VanDerWaalsContact O-CD1 3.31Å; S109-F131 WeakPolarHBondContact O-CD1 3.45Å; S109-F131 PolarHBondContact O-N 2.96Å; S109-F131 VanDerWaalsContact O-N 3.16Å
110	D	98.4	Very high	97	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	142	163	-169.6	-72.7	0	0	0	108.9	L112 N113 F131 H133 N134 V164 V165 Y169	D110-L112 PolarHBondContact O-N 2.9Å; D110-L112 PolarHBondContact OD1-N 3.49Å; D110-N113 PolarHBondContact N-ND2 2.85Å; D110-N113 WeakPolarHBondContact O-CB 3.32Å; D110-N113 PolarHBondContact O-N 2.77Å; D110-N113 PolarHBondContact O-ND2 3.05Å; D110-F131 VanDerWaalsContact CA-CE1 3.44Å; D110-F131 HydrophobicContact CB-CE1 3.95Å; D110-F131 HydrophobicContact CB-CE2 4.3Å; D110-F131 HydrophobicContact CB-CZ 3.64Å; D110-H133 IonicContact OD1-CE1 2.86Å; D110-H133 IonicContact OD1-CG 3.18Å; D110-H133 IonicContact OD1-ND1 2.65Å; D110-H133 PolarHBondContact OD1-ND1 3.16Å; D110-H133 WeakPolarHBondContact OD2-CA 3.39Å; D110-H133 IonicContact OD2-ND1 2.64Å; D110-H133 PolarHBondContact OD2-ND1 2.95Å; D110-N134 PolarHBondContact OD2-N 3.39Å; D110-V164 PolarHBondContact N-O 3.25Å; D110-V165 HydrophobicContact CB-CG1 4.4Å; D110-Y169 HydrophobicContact CB-CE1 3.91Å; D110-Y169 WeakPolarHBondContact CB-OH 3.26Å; D110-Y169 WeakPolarHBondContact OD1-CE1 3.38Å; D110-Y169 PolarHBondContact OD2-OH 3.39Å; D110-Y169 VanDerWaalsContact OD2-OH 3.09Å
111	E	96.7	Very high	97.1	Very high	94 Å²	94	34.2 Å²	34.2	44%	0.439	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.9	-176.9	71.6	-178	147.3	0	0	113.8	F131 K132 H133	E111-F131 PolarHBondContact N-O 3.35Å; E111-K132 WeakPolarHBondContact OE1-CA 3.41Å; E111-H133 HydrophobicContact CG-CB 3.93Å; E111-H133 PolarHBondContact OE1-N 3.37Å
112	L	95.7	Very high	97	Very high	61 Å²	61	42.7 Å²	42.7	32%	0.319	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	10.4	-179.4	-56.3	-174.3	0	0	0	113.5	D110 H133 Y169 E172	D110-L112 PolarHBondContact O-N 2.9Å; D110-L112 PolarHBondContact OD1-N 3.49Å; L112-H133 HydrophobicContact CD1-CB 3.74Å; L112-H133 HydrophobicContact CG-CB 3.89Å; L112-Y169 HydrophobicContact CB-CD1 4.06Å; L112-Y169 HydrophobicContact CB-CE1 4.44Å; L112-E172 HydrophobicContact CD1-CG 3.62Å
113	N	97.1	Very high	97	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.048	22%	0.216	C	C	.	.			trans	-52.9	141.3	173.3	-88	-23.3	0	0	0	112.1	S109 D110 L117 V118 V164 E166	S109-N113 PolarHBondContact OG-ND2 3.24Å; D110-N113 PolarHBondContact N-ND2 2.85Å; D110-N113 WeakPolarHBondContact O-CB 3.32Å; D110-N113 PolarHBondContact O-N 2.77Å; D110-N113 PolarHBondContact O-ND2 3.05Å; N113-L117 HydrophobicContact CB-CB 4.26Å; N113-L117 HydrophobicContact CB-CD1 4.06Å; N113-V118 WeakPolarHBondContact O-CG2 3.42Å; N113-V164 PolarHBondContact ND2-O 3.49Å; N113-E166 WeakPolarHBondContact CA-OE1 3.25Å
114	H	95.5	Very high	97	Very high	71 Å²	71	37.9 Å²	37.9	33%	0.329	19%	0.188	S	C	.	.			trans	-58.1	147.6	-176.3	-175.9	-104.3	0	0	0	111.2	S116 L117 V118 E166	H114-S116 WeakPolarHBondContact ND1-CB 3.17Å; H114-S116 PolarHBondContact ND1-N 3.26Å; H114-S116 PolarHBondContact ND1-OG 2.75Å; H114-S116 PolarHBondContact O-N 3.15Å; H114-L117 WeakPolarHBondContact O-CB 2.98Å; H114-L117 PolarHBondContact O-N 3.09Å; H114-V118 PolarHBondContact O-N 3.4Å; H114-V118 VanDerWaalsContact O-N 3.13Å; H114-E166 WeakPolarHBondContact CA-OE1 3.4Å; H114-E166 VanDerWaalsContact CB-OE1 3.26Å; H114-E166 WeakPolarHBondContact CB-OE1 3.28Å; H114-E166 PolarHBondContact N-OE1 2.87Å
115	T	95.3	Very high	96.9	Very high	97 Å²	97	38.3 Å²	38.3	60%	0.595	20%	0.203	S	C	*	.	H	α-helix	trans	-53.4	-30.9	-176.5	-52.2	0	0	0	0	113.2	V118 L119	T115-V118 PolarHBondContact O-N 3.22Å; T115-L119 WeakPolarHBondContact O-CB 3.42Å; T115-L119 PolarHBondContact O-N 3.23Å
116	S	96.6	Very high	96.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-39.1	175.4	62.4	0	0	0	0	113.4	F90 N93 H114 G120	F90-S116 VanDerWaalsContact CD2-CB 3.49Å; N93-S116 PolarHBondContact ND2-OG 2.68Å; H114-S116 WeakPolarHBondContact ND1-CB 3.17Å; H114-S116 PolarHBondContact ND1-N 3.26Å; H114-S116 PolarHBondContact ND1-OG 2.75Å; H114-S116 PolarHBondContact O-N 3.15Å; S116-G120 PolarHBondContact O-N 2.89Å; S116-G120 VanDerWaalsContact O-N 3.08Å
117	L	97.7	Very high	96.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-71	-46.2	175.8	-67.6	168	0	0	0	109.7	N93 L97 N113 H114 L119 G120 C121 V164 E166 Y193 D195	N93-L117 HydrophobicContact CB-CD2 4.03Å; N93-L117 VanDerWaalsContact CG-CD2 3.41Å; N93-L117 VanDerWaalsContact OD1-CD2 3.3Å; N93-L117 WeakPolarHBondContact OD1-CD2 3.35Å; L97-L117 HydrophobicContact CD1-CD2 4.21Å; N113-L117 HydrophobicContact CB-CB 4.26Å; N113-L117 HydrophobicContact CB-CD1 4.06Å; H114-L117 WeakPolarHBondContact O-CB 2.98Å; H114-L117 PolarHBondContact O-N 3.09Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L117-L119 PolarHBondContact O-N 2.89Å; L117-G120 PolarHBondContact O-N 3.08Å; L117-C121 WeakPolarHBondContact O-CB 3.29Å; L117-C121 PolarHBondContact O-N 2.9Å; L117-C121 PolarHBondContact O-SG 3.14Å; L117-V164 HydrophobicContact CB-CG1 4.25Å; L117-V164 HydrophobicContact CD1-CG1 4.04Å; L117-V164 HydrophobicContact CD2-CG1 3.76Å; L117-V164 HydrophobicContact CG-CG1 4.23Å; L117-E166 HydrophobicContact CD1-CG 4.07Å; L117-Y193 HydrophobicContact CD2-CD1 4.1Å; L117-Y193 HydrophobicContact CD2-CE1 3.72Å; L117-D195 HydrophobicContact CD1-CB 3.97Å
118	V	96.8	Very high	96.8	Very high	44 Å²	44	43.4 Å²	43.4	27%	0.267	24%	0.235	S	C	.	.	H	α-helix	trans	-57.9	-45.8	178.1	177	0	0	0	0	111.4	N113 H114 T115 C121 R122	N113-V118 WeakPolarHBondContact O-CG2 3.42Å; H114-V118 PolarHBondContact O-N 3.4Å; H114-V118 VanDerWaalsContact O-N 3.13Å; T115-V118 PolarHBondContact O-N 3.22Å; V118-C121 PolarHBondContact O-N 3.24Å; V118-R122 WeakPolarHBondContact O-CG 3.42Å; V118-R122 PolarHBondContact O-N 3.34Å
119	L	96.9	Very high	96.8	Very high	69 Å²	69	47 Å²	47	36%	0.361	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-46.3	176.6	-177.8	64.1	0	0	0	111.3	F90 T115 L117 C121 R122 L123	F90-L119 HydrophobicContact CE1-CD2 3.78Å; F90-L119 HydrophobicContact CZ-CD2 3.92Å; T115-L119 WeakPolarHBondContact O-CB 3.42Å; T115-L119 PolarHBondContact O-N 3.23Å; L117-L119 VanDerWaalsContact C-N 3.33Å; L117-L119 PolarHBondContact O-N 2.89Å; L119-C121 VanDerWaalsContact C-N 3.33Å; L119-C121 PolarHBondContact O-N 2.89Å; L119-R122 PolarHBondContact O-N 3.01Å; L119-L123 HydrophobicContact CG-CD1 4.26Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 3.42Å
120	G	97	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59.1	-42.9	176.8	0	0	0	0	0	113	S116 L117 R122 L123 T124	S116-G120 PolarHBondContact O-N 2.89Å; S116-G120 VanDerWaalsContact O-N 3.08Å; L117-G120 PolarHBondContact O-N 3.08Å; G120-R122 VanDerWaalsContact C-N 3.34Å; G120-R122 PolarHBondContact O-N 3.04Å; G120-L123 PolarHBondContact O-N 3.29Å; G120-T124 WeakPolarHBondContact O-CG2 3.47Å; G120-T124 PolarHBondContact O-N 3.4Å
121	C	97.2	Very high	96.8	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.027	28%	0.281	C	S	.	.	H	α-helix	trans	-60.2	-43.9	175.4	-65.2	0	0	0	0	111.3	L117 V118 L119 L123 T124 V128	L117-C121 WeakPolarHBondContact O-CB 3.29Å; L117-C121 PolarHBondContact O-N 2.9Å; L117-C121 PolarHBondContact O-SG 3.14Å; V118-C121 PolarHBondContact O-N 3.24Å; L119-C121 VanDerWaalsContact C-N 3.33Å; L119-C121 PolarHBondContact O-N 2.89Å; C121-L123 PolarHBondContact O-N 2.86Å; C121-T124 PolarHBondContact O-N 3.07Å; C121-T124 PolarHBondContact O-OG1 2.8Å; C121-V128 HydrophobicContact CB-CG2 4.06Å
122	R	96	Very high	96.8	Very high	186 Å²	186	56.9 Å²	56.9	70%	0.702	28%	0.284	S	S	*	.	H	α-helix	trans	-62.9	-39.6	177.4	-72.8	174.5	-178.2	178.9	1.5	112.7	V118 L119 G120 T124 G125	V118-R122 WeakPolarHBondContact O-CG 3.42Å; V118-R122 PolarHBondContact O-N 3.34Å; L119-R122 PolarHBondContact O-N 3.01Å; G120-R122 VanDerWaalsContact C-N 3.34Å; G120-R122 PolarHBondContact O-N 3.04Å; R122-T124 PolarHBondContact O-N 3.24Å; R122-G125 PolarHBondContact O-N 2.99Å
123	L	95.9	Very high	96.9	Very high	97 Å²	97	56 Å²	56	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-66.6	-21.1	-179.7	-70.9	173.1	0	0	0	113.5	P98 L119 G120 C121 G125	P98-L123 HydrophobicContact CG-CB 3.7Å; L119-L123 HydrophobicContact CG-CD1 4.26Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 3.42Å; G120-L123 PolarHBondContact O-N 3.29Å; C121-L123 PolarHBondContact O-N 2.86Å; L123-G125 VanDerWaalsContact C-N 3.32Å; L123-G125 PolarHBondContact O-N 3.31Å
124	T	96.2	Very high	96.8	Very high	14 Å²	14	56.2 Å²	56.2	9%	0.086	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.5	-179.2	70.4	0	0	0	0	114	L97 P98 V101 D102 G120 C121 R122 A126	L97-T124 HydrophobicContact CB-CG2 4.06Å; P98-T124 HydrophobicContact CB-CG2 4.36Å; P98-T124 HydrophobicContact CG-CG2 4.18Å; V101-T124 HydrophobicContact CG2-CG2 3.6Å; V101-T124 WeakPolarHBondContact O-CB 3.46Å; D102-T124 CarbonylContact C-O 3.55Å; G120-T124 WeakPolarHBondContact O-CG2 3.47Å; G120-T124 PolarHBondContact O-N 3.4Å; C121-T124 PolarHBondContact O-N 3.07Å; C121-T124 PolarHBondContact O-OG1 2.8Å; R122-T124 PolarHBondContact O-N 3.24Å; T124-A126 PolarHBondContact O-N 3.05Å; T124-A126 WeakPolarHBondContact OG1-CB 3.39Å; T124-A126 PolarHBondContact OG1-N 3.23Å
125	G	95.4	Very high	97	Very high	50 Å²	50	55.3 Å²	55.3	52%	0.515	28%	0.277	S	S	.	.			trans	67.5	3.1	-167.6	0	0	0	0	0	114.7	K103 R122 L123	K103-G125 WeakPolarHBondContact CA-O 3.32Å; R122-G125 PolarHBondContact O-N 2.99Å; L123-G125 VanDerWaalsContact C-N 3.32Å; L123-G125 PolarHBondContact O-N 3.31Å
126	A	97.3	Very high	97.1	Very high	11 Å²	11	51.6 Å²	51.6	9%	0.091	25%	0.253	C	S	.	.			trans	-63.3	157.5	176.5	0	0	0	0	0	111.6	V101 D102 C105 V107 T124 V128	V101-A126 HydrophobicContact CG2-CB 4.36Å; D102-A126 VanDerWaalsContact O-CA 3.31Å; D102-A126 WeakPolarHBondContact O-CA 3.5Å; D102-A126 VanDerWaalsContact O-CB 3.27Å; D102-A126 WeakPolarHBondContact O-CB 3.4Å; C105-A126 HydrophobicContact CB-CB 4.4Å; V107-A126 HydrophobicContact CG2-CB 3.99Å; T124-A126 PolarHBondContact O-N 3.05Å; T124-A126 WeakPolarHBondContact OG1-CB 3.39Å; T124-A126 PolarHBondContact OG1-N 3.23Å; A126-V128 PolarHBondContact O-N 3Å
127	T	97.5	Very high	97.2	Very high	32 Å²	32	59.3 Å²	59.3	20%	0.196	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	115.3	170.5	-58.9	0	0	0	0	108.8	C105 C106 V107 R129 P152 Y158	C105-T127 PolarHBondContact O-N 3.2Å; C106-T127 CarbonylContact C-O 3.59Å; C106-T127 WeakPolarHBondContact CA-O 3.22Å; V107-T127 PolarHBondContact N-O 2.94Å; T127-R129 HydrophobicContact CG2-CG 4.49Å; T127-P152 HydrophobicContact CG2-CG 3.95Å; T127-P152 VanDerWaalsContact OG1-CD 3.28Å; T127-P152 WeakPolarHBondContact OG1-CD 3.47Å; T127-P152 WeakPolarHBondContact OG1-CG 3.43Å; T127-Y158 WeakPolarHBondContact CG2-OH 3.48Å
128	V	97.5	Very high	97.2	Very high	64 Å²	64	60.2 Å²	60.2	39%	0.388	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	120.6	178.7	-175	0	0	0	0	109.6	V107 C121 A126	V107-V128 HydrophobicContact CB-CG2 4.42Å; V107-V128 CarbonylContact O-C 3.54Å; V107-V128 WeakPolarHBondContact O-CA 3.46Å; C121-V128 HydrophobicContact CB-CG2 4.06Å; A126-V128 PolarHBondContact O-N 3Å
129	R	97.7	Very high	97.3	Very high	76 Å²	76	58.1 Å²	58.1	29%	0.287	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.5	171.6	-67.2	178	175	-97	1.6	108.7	V107 V108 S109 T127 V142 S146	V107-R129 PolarHBondContact O-N 3.07Å; V108-R129 CarbonylContact C-O 3.55Å; V108-R129 VanDerWaalsContact CA-O 3.32Å; V108-R129 WeakPolarHBondContact CA-O 3.45Å; S109-R129 PolarHBondContact N-O 2.91Å; T127-R129 HydrophobicContact CG2-CG 4.49Å; R129-V142 HydrophobicContact CB-CG1 3.58Å; R129-S146 VanDerWaalsContact CD-OG 3.25Å; R129-S146 WeakPolarHBondContact CD-OG 3.34Å
130	R	97.9	Very high	97.4	Very high	187 Å²	187	57.5 Å²	57.5	71%	0.706	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	142.8	177.1	-68.9	177.6	-71.5	163.3	0.8	109.8	S109	S109-R130 VanDerWaalsContact O-CA 3.26Å; S109-R130 WeakPolarHBondContact O-CA 3.34Å
131	F	98.6	Very high	97.5	Very high	3 Å²	3	62.9 Å²	62.9	1%	0.013	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	157.3	166.5	70	-83.8	0	0	0	109.3	V108 S109 D110 E111 M136 D138 L139 V142 V165	V108-F131 HydrophobicContact CG1-CD1 3.69Å; V108-F131 HydrophobicContact CG1-CE1 4.22Å; S109-F131 VanDerWaalsContact O-CD1 3.31Å; S109-F131 WeakPolarHBondContact O-CD1 3.45Å; S109-F131 PolarHBondContact O-N 2.96Å; S109-F131 VanDerWaalsContact O-N 3.16Å; D110-F131 VanDerWaalsContact CA-CE1 3.44Å; D110-F131 HydrophobicContact CB-CE1 3.95Å; D110-F131 HydrophobicContact CB-CE2 4.3Å; D110-F131 HydrophobicContact CB-CZ 3.64Å; E111-F131 PolarHBondContact N-O 3.35Å; F131-M136 HydrophobicContact CE2-CE 4.47Å; F131-D138 VanDerWaalsContact CA-OD2 3.29Å; F131-D138 WeakPolarHBondContact CA-OD2 3.47Å; F131-L139 HydrophobicContact CB-CB 4.49Å; F131-L139 HydrophobicContact CD1-CD1 3.76Å; F131-L139 HydrophobicContact CD2-CB 3.72Å; F131-L139 HydrophobicContact CD2-CD1 4.41Å; F131-L139 HydrophobicContact CE1-CD1 3.77Å; F131-L139 HydrophobicContact CE2-CB 4.04Å; F131-L139 HydrophobicContact CE2-CD1 4.47Å; F131-L139 HydrophobicContact CE2-CD2 4.47Å; F131-L139 HydrophobicContact CG-CB 4Å; F131-L139 HydrophobicContact CG-CD1 4.09Å; F131-L139 HydrophobicContact CZ-CD1 4.16Å; F131-L139 HydrophobicContact CZ-CD2 4.38Å; F131-V142 HydrophobicContact CB-CB 4.44Å; F131-V142 HydrophobicContact CB-CG2 4.03Å; F131-V165 HydrophobicContact CE1-CG1 4.34Å; F131-V165 HydrophobicContact CZ-CG1 3.9Å
132	K	98.1	Very high	97.6	Very high	118 Å²	118	63 Å²	63	51%	0.513	30%	0.297	S	S	.	.			trans	-60.3	143.6	178.5	-69.3	175.8	-174.2	173.5	0	111.3	E111 N134 D135 D138	E111-K132 WeakPolarHBondContact OE1-CA 3.41Å; K132-N134 PolarHBondContact O-N 2.89Å; K132-D135 HydrophobicContact CB-CB 3.79Å; K132-D135 WeakPolarHBondContact O-CB 3.19Å; K132-D135 PolarHBondContact O-N 3.4Å; K132-D135 VanDerWaalsContact O-N 3.1Å; K132-D138 HydrophobicContact CB-CB 4.23Å; K132-D138 HydrophobicContact CD-CB 4.49Å; K132-D138 HydrophobicContact CG-CB 4.48Å; K132-D138 PolarHBondContact N-OD2 3.36Å
133	H	97.1	Very high	97.7	Very high	42 Å²	42	54.2 Å²	54.2	19%	0.194	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	121.2	-171.8	179.1	54.1	0	0	0	113	D110 E111 L112 D135 Y169 S174	D110-H133 IonicContact OD1-CE1 2.86Å; D110-H133 IonicContact OD1-CG 3.18Å; D110-H133 IonicContact OD1-ND1 2.65Å; D110-H133 PolarHBondContact OD1-ND1 3.16Å; D110-H133 WeakPolarHBondContact OD2-CA 3.39Å; D110-H133 IonicContact OD2-ND1 2.64Å; D110-H133 PolarHBondContact OD2-ND1 2.95Å; E111-H133 HydrophobicContact CG-CB 3.93Å; E111-H133 PolarHBondContact OE1-N 3.37Å; L112-H133 HydrophobicContact CD1-CB 3.74Å; L112-H133 HydrophobicContact CG-CB 3.89Å; H133-D135 PolarHBondContact O-N 3.49Å; H133-Y169 AromaticContact CE1-CD1 3.6Å; H133-Y169 AromaticContact CE1-CD2 3.46Å; H133-Y169 VanDerWaalsContact CE1-CD2 3.46Å; H133-Y169 WeakPolarHBondContact CE1-CD2 3.46Å; H133-Y169 AromaticContact CE1-CE1 3.77Å; H133-Y169 AromaticContact CE1-CE2 3.62Å; H133-Y169 AromaticContact CE1-CG 3.44Å; H133-Y169 VanDerWaalsContact CE1-CG 3.44Å; H133-Y169 AromaticContact CE1-CZ 3.78Å; H133-Y169 AromaticContact ND1-CD1 3.98Å; H133-Y169 AromaticContact ND1-CE1 3.86Å; H133-S174 PolarHBondContact CE1-OG 2.95Å; H133-S174 VanDerWaalsContact CE1-OG 3.24Å; H133-S174 PolarHBondContact NE2-OG 2.9Å
134	N	95.3	Very high	97.8	Very high	14 Å²	14	54.3 Å²	54.3	8%	0.075	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	24.3	178.3	-157.2	36.1	0	0	0	114.3	D110 K132 I175 H177	D110-N134 PolarHBondContact OD2-N 3.39Å; K132-N134 PolarHBondContact O-N 2.89Å; N134-I175 PolarHBondContact ND2-O 3.42Å; N134-H177 PolarHBondContact ND2-CE1 2.87Å; N134-H177 VanDerWaalsContact ND2-CE1 3.31Å; N134-H177 PolarHBondContact ND2-NE2 3.16Å; N134-H177 PolarHBondContact OD1-N 3.46Å
135	D	98.4	Very high	97.8	Very high	51 Å²	51	55.3 Å²	55.3	27%	0.273	27%	0.266	S	S	.	.			trans	-96.5	106.5	178.3	-173.1	-27.9	0	0	0	109.9	K132 H133 E137 D138 L139	K132-D135 HydrophobicContact CB-CB 3.79Å; K132-D135 WeakPolarHBondContact O-CB 3.19Å; K132-D135 PolarHBondContact O-N 3.4Å; K132-D135 VanDerWaalsContact O-N 3.1Å; H133-D135 PolarHBondContact O-N 3.49Å; D135-E137 PolarHBondContact OD1-N 2.86Å; D135-E137 VanDerWaalsContact OD1-N 3.07Å; D135-D138 HydrophobicContact CB-CB 4.03Å; D135-D138 PolarHBondContact OD1-N 2.98Å; D135-L139 WeakPolarHBondContact O-CB 3.46Å; D135-L139 PolarHBondContact O-N 3.33Å
136	M	98.2	Very high	97.9	Very high	19 Å²	19	52.9 Å²	52.9	9%	0.094	24%	0.242	C	C	.	.	H	α-helix	trans	-74.4	-27.3	-175.5	-61.6	-59.5	99.8	0	0	112.9	F131 L139 E140 H177 E180 V181 L184	F131-M136 HydrophobicContact CE2-CE 4.47Å; M136-L139 HydrophobicContact CE-CD2 4.13Å; M136-L139 HydrophobicContact SD-CD2 4.01Å; M136-E140 WeakPolarHBondContact O-CB 3.37Å; M136-E140 PolarHBondContact O-N 3.43Å; M136-H177 HydrophobicContact CG-CB 4.31Å; M136-H177 HydrophobicContact SD-CB 4.28Å; M136-E180 HydrophobicContact CG-CB 3.84Å; M136-E180 HydrophobicContact SD-CB 3.93Å; M136-V181 HydrophobicContact CE-CG2 4.06Å; M136-V181 HydrophobicContact SD-CG2 3.61Å; M136-L184 HydrophobicContact CB-CD1 4.45Å
137	E	98.5	Very high	97.9	Very high	165 Å²	165	56 Å²	56	77%	0.771	26%	0.26	S	S	*	.	H	α-helix	trans	-70.3	-43	175.8	-64.5	-179.7	-177	0	0	109.9	D135 E140 R141	D135-E137 PolarHBondContact OD1-N 2.86Å; D135-E137 VanDerWaalsContact OD1-N 3.07Å; E137-E140 PolarHBondContact O-N 3.28Å; E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 PolarHBondContact O-N 2.58Å
138	D	98.7	Very high	97.8	Very high	18 Å²	18	59 Å²	59	10%	0.096	28%	0.278	C	S	.	.	H	α-helix	trans	-69.9	-37.5	176.1	-160.5	57.7	0	0	0	112.3	F131 K132 D135 R141 V142	F131-D138 VanDerWaalsContact CA-OD2 3.29Å; F131-D138 WeakPolarHBondContact CA-OD2 3.47Å; K132-D138 HydrophobicContact CB-CB 4.23Å; K132-D138 HydrophobicContact CD-CB 4.49Å; K132-D138 HydrophobicContact CG-CB 4.48Å; K132-D138 PolarHBondContact N-OD2 3.36Å; D135-D138 HydrophobicContact CB-CB 4.03Å; D135-D138 PolarHBondContact OD1-N 2.98Å; D138-R141 PolarHBondContact O-N 3.39Å; D138-R141 IonicContact OD1-CZ 2.73Å; D138-R141 IonicContact OD1-NE 3.57Å; D138-R141 PolarHBondContact OD1-NE 3.47Å; D138-R141 IonicContact OD1-NH2 3.64Å; D138-R141 PolarHBondContact OD1-NH2 2.99Å; D138-R141 IonicContact OD2-NH2 3.27Å; D138-V142 VanDerWaalsContact O-CG2 3.31Å; D138-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 PolarHBondContact O-N 2.82Å
139	L	98.7	Very high	97.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.7	-48.4	171.4	173.8	56.9	0	0	0	111.2	V108 F131 D135 M136 V142 L143 V163 V181 L184	V108-L139 HydrophobicContact CG1-CD1 3.57Å; F131-L139 HydrophobicContact CB-CB 4.49Å; F131-L139 HydrophobicContact CD1-CD1 3.76Å; F131-L139 HydrophobicContact CD2-CB 3.72Å; F131-L139 HydrophobicContact CD2-CD1 4.41Å; F131-L139 HydrophobicContact CE1-CD1 3.77Å; F131-L139 HydrophobicContact CE2-CB 4.04Å; F131-L139 HydrophobicContact CE2-CD1 4.47Å; F131-L139 HydrophobicContact CE2-CD2 4.47Å; F131-L139 HydrophobicContact CG-CB 4Å; F131-L139 HydrophobicContact CG-CD1 4.09Å; F131-L139 HydrophobicContact CZ-CD1 4.16Å; F131-L139 HydrophobicContact CZ-CD2 4.38Å; D135-L139 WeakPolarHBondContact O-CB 3.46Å; D135-L139 PolarHBondContact O-N 3.33Å; M136-L139 HydrophobicContact CE-CD2 4.13Å; M136-L139 HydrophobicContact SD-CD2 4.01Å; L139-V142 PolarHBondContact O-N 2.9Å; L139-L143 HydrophobicContact CD1-CD1 3.95Å; L139-L143 HydrophobicContact CD1-CG 4.12Å; L139-L143 HydrophobicContact CG-CD1 4.03Å; L139-L143 WeakPolarHBondContact O-CB 3.14Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 2.97Å; L139-V163 HydrophobicContact CD1-CG1 4.25Å; L139-V181 HydrophobicContact CD2-CG2 4.09Å; L139-L184 HydrophobicContact CB-CD1 4.32Å; L139-L184 HydrophobicContact CD2-CD1 3.82Å; L139-L184 HydrophobicContact CG-CD1 3.92Å
140	E	98.7	Very high	97.5	Very high	57 Å²	57	58.7 Å²	58.7	27%	0.266	27%	0.271	S	S	.	.	H	α-helix	trans	-59.3	-47.2	177.1	175.1	153.5	-143.9	0	0	111.6	M136 E137 V142 L143 Q144 L184 K187 Y188	M136-E140 WeakPolarHBondContact O-CB 3.37Å; M136-E140 PolarHBondContact O-N 3.43Å; E137-E140 PolarHBondContact O-N 3.28Å; E140-V142 VanDerWaalsContact C-N 3.33Å; E140-V142 PolarHBondContact O-N 3.29Å; E140-L143 PolarHBondContact O-N 2.92Å; E140-Q144 WeakPolarHBondContact O-CB 3.34Å; E140-Q144 PolarHBondContact O-N 2.77Å; E140-L184 HydrophobicContact CB-CD1 4.2Å; E140-L184 HydrophobicContact CB-CD2 3.73Å; E140-L184 HydrophobicContact CG-CD2 3.95Å; E140-K187 WeakPolarHBondContact OE1-CE 3.23Å; E140-K187 IonicContact OE1-NZ 2.68Å; E140-K187 PolarHBondContact OE1-NZ 3.46Å; E140-Y188 HydrophobicContact CG-CE2 3.85Å; E140-Y188 WeakPolarHBondContact CG-OH 3.37Å; E140-Y188 PolarHBondContact OE1-OH 2.9Å
141	R	98.7	Very high	97.3	Very high	113 Å²	113	51.9 Å²	51.9	43%	0.426	25%	0.245	S	C	.	.	H	α-helix	trans	-56.1	-46.8	176.3	-174.2	-170.8	62.9	69.9	-0.3	111.6	E137 D138 Q144 D145	E137-R141 WeakPolarHBondContact O-CB 3.39Å; E137-R141 PolarHBondContact O-N 2.58Å; D138-R141 PolarHBondContact O-N 3.39Å; D138-R141 IonicContact OD1-CZ 2.73Å; D138-R141 IonicContact OD1-NE 3.57Å; D138-R141 PolarHBondContact OD1-NE 3.47Å; D138-R141 IonicContact OD1-NH2 3.64Å; D138-R141 PolarHBondContact OD1-NH2 2.99Å; D138-R141 IonicContact OD2-NH2 3.27Å; R141-Q144 PolarHBondContact O-N 3.42Å; R141-D145 IonicContact NH1-OD2 3.19Å; R141-D145 PolarHBondContact NH1-OD2 3.22Å; R141-D145 WeakPolarHBondContact O-CB 3.42Å; R141-D145 VanDerWaalsContact O-CG 3.27Å; R141-D145 PolarHBondContact O-N 2.99Å
142	V	98.4	Very high	96.8	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.036	27%	0.268	C	S	.	.	H	α-helix	trans	-67.3	-37.6	179.9	173.8	0	0	0	0	112.1	V108 R129 F131 D138 L139 E140 S146	V108-V142 HydrophobicContact CG1-CB 4.37Å; V108-V142 HydrophobicContact CG1-CG1 3.74Å; V108-V142 HydrophobicContact CG2-CG1 4.05Å; R129-V142 HydrophobicContact CB-CG1 3.58Å; F131-V142 HydrophobicContact CB-CB 4.44Å; F131-V142 HydrophobicContact CB-CG2 4.03Å; D138-V142 VanDerWaalsContact O-CG2 3.31Å; D138-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 PolarHBondContact O-N 2.82Å; L139-V142 PolarHBondContact O-N 2.9Å; E140-V142 VanDerWaalsContact C-N 3.33Å; E140-V142 PolarHBondContact O-N 3.29Å; V142-S146 WeakPolarHBondContact O-CB 3.35Å; V142-S146 PolarHBondContact O-N 2.93Å; V142-S146 PolarHBondContact O-OG 3.15Å
143	L	98.6	Very high	96.3	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-63.9	-47.1	174	-77.3	168.8	0	0	0	111.3	V108 L139 E140 D145 S146 V147 I161 V163 L184 Y188 A190	V108-L143 HydrophobicContact CG2-CD2 4.08Å; L139-L143 HydrophobicContact CD1-CD1 3.95Å; L139-L143 HydrophobicContact CD1-CG 4.12Å; L139-L143 HydrophobicContact CG-CD1 4.03Å; L139-L143 WeakPolarHBondContact O-CB 3.14Å; L139-L143 WeakPolarHBondContact O-CG 3.44Å; L139-L143 PolarHBondContact O-N 2.97Å; E140-L143 PolarHBondContact O-N 2.92Å; L143-D145 PolarHBondContact O-N 3.35Å; L143-S146 WeakPolarHBondContact O-CB 3.38Å; L143-S146 PolarHBondContact O-N 3.48Å; L143-S146 VanDerWaalsContact O-N 3.16Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 3.34Å; L143-I161 HydrophobicContact CD2-CG2 3.86Å; L143-V163 HydrophobicContact CD1-CG2 4.45Å; L143-V163 HydrophobicContact CD2-CG2 3.87Å; L143-L184 HydrophobicContact CD1-CB 3.93Å; L143-Y188 HydrophobicContact CB-CD1 4.38Å; L143-Y188 HydrophobicContact CB-CD2 3.85Å; L143-Y188 HydrophobicContact CB-CE2 4.32Å; L143-Y188 HydrophobicContact CB-CG 3.9Å; L143-Y188 HydrophobicContact CD1-CD2 3.93Å; L143-Y188 HydrophobicContact CG-CD2 4.5Å; L143-A190 HydrophobicContact CD2-CB 4.19Å
144	Q	98	Very high	96	Very high	99 Å²	99	60.8 Å²	60.8	46%	0.463	29%	0.29	S	S	.	.	H	α-helix	trans	-58.4	-49	176.3	-175.3	179.9	2.9	0	0	111.3	E140 R141 S146 V147 V148 Y188	E140-Q144 WeakPolarHBondContact O-CB 3.34Å; E140-Q144 PolarHBondContact O-N 2.77Å; R141-Q144 PolarHBondContact O-N 3.42Å; Q144-S146 VanDerWaalsContact C-N 3.25Å; Q144-S146 PolarHBondContact O-N 2.81Å; Q144-V147 PolarHBondContact O-N 3.08Å; Q144-V147 VanDerWaalsContact O-N 3.15Å; Q144-V148 HydrophobicContact CG-CG2 4.25Å; Q144-V148 WeakPolarHBondContact O-CB 3.46Å; Q144-V148 WeakPolarHBondContact O-CG2 3.45Å; Q144-V148 PolarHBondContact O-N 3.43Å; Q144-Y188 HydrophobicContact CB-CE1 4.03Å
145	D	97.5	Very high	95.8	Very high	35 Å²	35	66.7 Å²	66.7	19%	0.187	32%	0.317	C	S	.	.	H	α-helix	trans	-58.2	-39	176.4	-73.8	-18.3	0	0	0	111.8	R141 L143 V147 Y149	R141-D145 IonicContact NH1-OD2 3.19Å; R141-D145 PolarHBondContact NH1-OD2 3.22Å; R141-D145 WeakPolarHBondContact O-CB 3.42Å; R141-D145 VanDerWaalsContact O-CG 3.27Å; R141-D145 PolarHBondContact O-N 2.99Å; L143-D145 PolarHBondContact O-N 3.35Å; D145-V147 VanDerWaalsContact C-N 3.33Å; D145-V147 PolarHBondContact O-N 2.65Å; D145-Y149 HydrophobicContact CB-CD2 3.97Å; D145-Y149 HydrophobicContact CB-CE2 4.16Å; D145-Y149 WeakPolarHBondContact O-CB 3.4Å; D145-Y149 VanDerWaalsContact O-CD2 3.23Å; D145-Y149 WeakPolarHBondContact O-CD2 3.3Å; D145-Y149 PolarHBondContact O-N 2.85Å; D145-Y149 WeakPolarHBondContact OD1-CE2 3.33Å
146	S	97.1	Very high	95.6	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-36	179.3	-57.9	0	0	0	0	112.2	R129 V142 L143 Q144 G150 Y158	R129-S146 VanDerWaalsContact CD-OG 3.25Å; R129-S146 WeakPolarHBondContact CD-OG 3.34Å; V142-S146 WeakPolarHBondContact O-CB 3.35Å; V142-S146 PolarHBondContact O-N 2.93Å; V142-S146 PolarHBondContact O-OG 3.15Å; L143-S146 WeakPolarHBondContact O-CB 3.38Å; L143-S146 PolarHBondContact O-N 3.48Å; L143-S146 VanDerWaalsContact O-N 3.16Å; Q144-S146 VanDerWaalsContact C-N 3.25Å; Q144-S146 PolarHBondContact O-N 2.81Å; S146-G150 PolarHBondContact O-N 3.21Å; S146-Y158 VanDerWaalsContact O-CD2 3.3Å; S146-Y158 WeakPolarHBondContact O-CD2 3.24Å; S146-Y158 VanDerWaalsContact O-CE2 3.3Å; S146-Y158 WeakPolarHBondContact O-CE2 3.44Å
147	V	96.4	Very high	95.5	Very high	76 Å²	76	76.5 Å²	76.5	46%	0.461	36%	0.362	S	S	.	.	H	α-helix	trans	-74.7	-45.8	176.3	173.8	0	0	0	0	111.2	L143 Q144 D145 I161 Y188	L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 3.34Å; Q144-V147 PolarHBondContact O-N 3.08Å; Q144-V147 VanDerWaalsContact O-N 3.15Å; D145-V147 VanDerWaalsContact C-N 3.33Å; D145-V147 PolarHBondContact O-N 2.65Å; V147-I161 HydrophobicContact CG2-CD1 3.72Å; V147-Y188 HydrophobicContact CG2-CD1 4.26Å
148	V	95.8	Very high	95.5	Very high	95 Å²	95	69.7 Å²	69.7	58%	0.576	33%	0.33	S	S	*	.	H	α-helix	trans	-70.4	-48.4	-174.9	172	0	0	0	0	112.1	Q144	Q144-V148 HydrophobicContact CG-CG2 4.25Å; Q144-V148 WeakPolarHBondContact O-CB 3.46Å; Q144-V148 WeakPolarHBondContact O-CG2 3.45Å; Q144-V148 PolarHBondContact O-N 3.43Å
149	Y	95.1	Very high	95.4	Very high	132 Å²	132	74.3 Å²	74.3	52%	0.518	35%	0.349	S	S	.	.	H	α-helix	trans	-90.8	-20.2	-173.2	-60	-64.6	0	0	0	113.8	D145 H155	D145-Y149 HydrophobicContact CB-CD2 3.97Å; D145-Y149 HydrophobicContact CB-CE2 4.16Å; D145-Y149 WeakPolarHBondContact O-CB 3.4Å; D145-Y149 VanDerWaalsContact O-CD2 3.23Å; D145-Y149 WeakPolarHBondContact O-CD2 3.3Å; D145-Y149 PolarHBondContact O-N 2.85Å; D145-Y149 WeakPolarHBondContact OD1-CE2 3.33Å; Y149-H155 PolarHBondContact O-ND1 2.8Å
150	G	93.7	Very high	95.3	Very high	2 Å²	2	78 Å²	78	2%	0.021	37%	0.365	C	S	.	.			trans	60.1	-151.2	-179.2	0	0	0	0	0	113.6	S146 R156 Y158	S146-G150 PolarHBondContact O-N 3.21Å; G150-R156 WeakPolarHBondContact CA-O 3.36Å; G150-Y158 VanDerWaalsContact C-CZ 3.46Å; G150-Y158 WeakPolarHBondContact O-CE2 3.24Å; G150-Y158 PolarHBondContact O-OH 2.83Å
151	R	94.2	Very high	95.3	Very high	43 Å²	43	76 Å²	76	16%	0.162	36%	0.356	C	S	.	.	S	Bend	trans	-67.9	143.7	-175.2	-66.8	176.8	-149.2	-177.1	8.7	112.2	D104 R153 H155 R156 P157 Y158	D104-R151 VanDerWaalsContact CB-NH1 3.26Å; D104-R151 PolarHBondContact O-NE 2.85Å; D104-R151 IonicContact OD1-CZ 3.54Å; D104-R151 IonicContact OD1-NH1 3.6Å; D104-R151 PolarHBondContact OD1-NH1 2.79Å; D104-R151 IonicContact OD2-NH1 3.8Å; R151-R153 PolarHBondContact O-N 2.78Å; R151-H155 PolarHBondContact O-N 3Å; R151-R156 WeakPolarHBondContact CG-O 3.41Å; R151-R156 PolarHBondContact N-O 2.84Å; R151-P157 PolarHBondContact NE-O 2.96Å; R151-P157 PolarHBondContact NH2-O 2.81Å; R151-Y158 HydrophobicContact CB-CE1 4.21Å; R151-Y158 HydrophobicContact CG-CD1 3.53Å; R151-Y158 HydrophobicContact CG-CE1 3.65Å; R151-Y158 HydrophobicContact CG-CG 4.22Å
152	P	88.1	Confident	95.3	Very high	77 Å²	77	70.8 Å²	70.8	50%	0.5	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	141.4	171.9	-21.9	33.5	0	0	0	110.7	T127 T154	T127-P152 HydrophobicContact CG2-CG 3.95Å; T127-P152 VanDerWaalsContact OG1-CD 3.28Å; T127-P152 WeakPolarHBondContact OG1-CD 3.47Å; T127-P152 WeakPolarHBondContact OG1-CG 3.43Å; P152-T154 PolarHBondContact O-N 2.74Å
153	R	87.4	Confident	95.3	Very high	220 Å²	220	70.6 Å²	70.6	83%	0.83	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	-41.9	178.5	-168.7	-172.4	69.9	84.4	-1.7	116.6	R151	R151-R153 PolarHBondContact O-N 2.78Å
154	T	90.7	Very high	95.3	Very high	53 Å²	53	70.5 Å²	70.5	33%	0.325	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-19.3	-174.4	64.9	0	0	0	0	113.5	P152 R156	P152-T154 PolarHBondContact O-N 2.74Å; T154-R156 PolarHBondContact O-N 2.78Å; T154-R156 PolarHBondContact OG1-N 3.42Å
155	H	91.1	Very high	95.4	Very high	139 Å²	139	65.8 Å²	65.8	64%	0.644	31%	0.313	S	S	*	.			trans	53.5	16.1	-173.1	-58.5	-73	0	0	0	114.1	Y149 R151	Y149-H155 PolarHBondContact O-ND1 2.8Å; R151-H155 PolarHBondContact O-N 3Å
156	R	95.1	Very high	95.4	Very high	172 Å²	172	64.3 Å²	64.3	65%	0.649	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-76.6	148	174.6	-69.2	-174.6	177.8	-169.4	-0.7	109.6	G150 R151 T154	G150-R156 WeakPolarHBondContact CA-O 3.36Å; R151-R156 WeakPolarHBondContact CG-O 3.41Å; R151-R156 PolarHBondContact N-O 2.84Å; T154-R156 PolarHBondContact O-N 2.78Å; T154-R156 PolarHBondContact OG1-N 3.42Å
157	P	95.9	Very high	95.5	Very high	103 Å²	103	64.3 Å²	64.3	67%	0.669	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-54.9	142.9	173.2	-25.7	34.5	0	0	0	112.4	R151	R151-P157 PolarHBondContact NE-O 2.96Å; R151-P157 PolarHBondContact NH2-O 2.81Å
158	Y	97.4	Very high	95.5	Very high	22 Å²	22	60.7 Å²	60.7	9%	0.086	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-62.6	145.2	170.2	-68.1	-74.5	0	0	0	110.4	D104 C106 T127 S146 G150 R151 K160 I161	D104-Y158 WeakPolarHBondContact O-CA 3.4Å; C106-Y158 HydrophobicContact CB-CD1 3.65Å; C106-Y158 HydrophobicContact CB-CD2 3.64Å; C106-Y158 HydrophobicContact CB-CE1 3.7Å; C106-Y158 HydrophobicContact CB-CE2 3.71Å; C106-Y158 HydrophobicContact CB-CG 3.61Å; T127-Y158 WeakPolarHBondContact CG2-OH 3.48Å; S146-Y158 VanDerWaalsContact O-CD2 3.3Å; S146-Y158 WeakPolarHBondContact O-CD2 3.24Å; S146-Y158 VanDerWaalsContact O-CE2 3.3Å; S146-Y158 WeakPolarHBondContact O-CE2 3.44Å; G150-Y158 VanDerWaalsContact C-CZ 3.46Å; G150-Y158 WeakPolarHBondContact O-CE2 3.24Å; G150-Y158 PolarHBondContact O-OH 2.83Å; R151-Y158 HydrophobicContact CB-CE1 4.21Å; R151-Y158 HydrophobicContact CG-CD1 3.53Å; R151-Y158 HydrophobicContact CG-CE1 3.65Å; R151-Y158 HydrophobicContact CG-CG 4.22Å; Y158-K160 VanDerWaalsContact C-N 3.28Å; Y158-I161 HydrophobicContact CD2-CG1 4.45Å
159	K	96.6	Very high	95.6	Very high	116 Å²	116	56.1 Å²	56.1	50%	0.504	26%	0.255	S	S	.	.	S	Bend	trans	-62.4	-41.6	172.2	-73.3	179.1	-177.7	155.9	0	111	D102 D104	D102-K159 IonicContact OD2-NZ 2.74Å; D102-K159 PolarHBondContact OD2-NZ 3.2Å; D104-K159 HydrophobicContact CB-CD 3.66Å; D104-K159 HydrophobicContact CB-CG 3.94Å; D104-K159 PolarHBondContact O-N 3.41Å; D104-K159 VanDerWaalsContact OD2-CE 3.28Å; D104-K159 WeakPolarHBondContact OD2-CE 3.4Å; D104-K159 IonicContact OD2-NZ 3.72Å; D104-K159 PolarHBondContact OD2-NZ 3.48Å
160	K	97.4	Very high	95.5	Very high	76 Å²	76	50.2 Å²	50.2	33%	0.33	23%	0.233	S	C	.	.			trans	-146.3	145.1	-178.1	-65.6	176	-83.7	-174.2	0	109.2	L100 C105 C106 Y158 Y191	L100-K160 WeakPolarHBondContact O-CE 3.26Å; L100-K160 PolarHBondContact O-NZ 3.16Å; C105-K160 WeakPolarHBondContact CA-O 3.06Å; C105-K160 HydrophobicContact CB-CB 4.43Å; C105-K160 WeakPolarHBondContact CB-O 3.07Å; C106-K160 PolarHBondContact N-O 3.29Å; Y158-K160 VanDerWaalsContact C-N 3.28Å; K160-Y191 HydrophobicContact CB-CD2 4.29Å; K160-Y191 HydrophobicContact CB-CE2 4.22Å; K160-Y191 HydrophobicContact CD-CE2 4.27Å; K160-Y191 HydrophobicContact CG-CD2 4.42Å; K160-Y191 HydrophobicContact CG-CE2 3.91Å
161	I	98.4	Very high	95.4	Very high	15 Å²	15	51.9 Å²	51.9	8%	0.077	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123	167.3	-57.9	176.5	0	0	0	106.6	C106 V108 L143 V147 Y158 A190 Y191	C106-I161 HydrophobicContact CB-CG1 4.25Å; C106-I161 CarbonylContact O-C 3.52Å; C106-I161 WeakPolarHBondContact O-CA 2.95Å; V108-I161 HydrophobicContact CG2-CG2 3.99Å; L143-I161 HydrophobicContact CD2-CG2 3.86Å; V147-I161 HydrophobicContact CG2-CD1 3.72Å; Y158-I161 HydrophobicContact CD2-CG1 4.45Å; I161-A190 HydrophobicContact CB-CB 4.16Å; I161-A190 HydrophobicContact CG2-CB 4.1Å; I161-A190 WeakPolarHBondContact O-CA 3.48Å; I161-Y191 PolarHBondContact O-N 2.96Å
162	L	98.7	Very high	95.3	Very high	5 Å²	5	50.9 Å²	50.9	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.5	-179.9	-176.2	68.8	0	0	0	109.6	L97 V101 C106 V107 V108 V164 Y191	L97-L162 HydrophobicContact CD2-CD2 3.91Å; V101-L162 HydrophobicContact CG1-CB 4.06Å; V101-L162 HydrophobicContact CG1-CD2 3.97Å; C106-L162 PolarHBondContact O-N 2.74Å; V107-L162 CarbonylContact C-O 3.44Å; V107-L162 WeakPolarHBondContact CA-O 3.42Å; V108-L162 PolarHBondContact N-O 3.4Å; L162-V164 HydrophobicContact CD2-CG2 3.99Å; L162-V164 HydrophobicContact CG-CG2 3.99Å; L162-Y191 CarbonylContact C-O 3.53Å
163	V	98.8	Very high	95.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.5	170	-178.9	0	0	0	0	108.3	V108 L139 L143 V165 V181 A190 Y191 L192 Y193	V108-V163 HydrophobicContact CB-CG2 4.38Å; V108-V163 CarbonylContact O-C 3.56Å; V108-V163 VanDerWaalsContact O-CA 3.32Å; V108-V163 WeakPolarHBondContact O-CA 3.39Å; L139-V163 HydrophobicContact CD1-CG1 4.25Å; L143-V163 HydrophobicContact CD1-CG2 4.45Å; L143-V163 HydrophobicContact CD2-CG2 3.87Å; V163-V165 HydrophobicContact CG1-CG1 4.07Å; V163-V181 HydrophobicContact CG1-CG1 4.21Å; V163-A190 HydrophobicContact CG2-CB 4.22Å; V163-Y191 PolarHBondContact N-O 3.06Å; V163-L192 HydrophobicContact CB-CD1 4.3Å; V163-L192 HydrophobicContact CG1-CD1 4.21Å; V163-Y193 PolarHBondContact O-N 2.76Å
164	V	98.7	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122	-178.6	-178.3	0	0	0	0	108.7	V107 V108 D110 N113 L117 L162 Y193	V107-V164 HydrophobicContact CG1-CB 4.33Å; V107-V164 HydrophobicContact CG1-CG2 3.58Å; V108-V164 PolarHBondContact O-N 2.87Å; D110-V164 PolarHBondContact N-O 3.25Å; N113-V164 PolarHBondContact ND2-O 3.49Å; L117-V164 HydrophobicContact CB-CG1 4.25Å; L117-V164 HydrophobicContact CD1-CG1 4.04Å; L117-V164 HydrophobicContact CD2-CG1 3.76Å; L117-V164 HydrophobicContact CG-CG1 4.23Å; L162-V164 HydrophobicContact CD2-CG2 3.99Å; L162-V164 HydrophobicContact CG-CG2 3.99Å; V164-Y193 WeakPolarHBondContact CA-O 3.41Å; V164-Y193 HydrophobicContact CG1-CD1 4.35Å
165	V	98.7	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	156.3	-174.2	-70.2	0	0	0	0	111.1	D110 F131 V163 L176 L192 Y193 L194 D195	D110-V165 HydrophobicContact CB-CG1 4.4Å; F131-V165 HydrophobicContact CE1-CG1 4.34Å; F131-V165 HydrophobicContact CZ-CG1 3.9Å; V163-V165 HydrophobicContact CG1-CG1 4.07Å; V165-L176 HydrophobicContact CB-CD1 3.91Å; V165-L176 HydrophobicContact CB-CD2 4.02Å; V165-L176 HydrophobicContact CG1-CD1 4.03Å; V165-L176 HydrophobicContact CG2-CD1 4.24Å; V165-L176 HydrophobicContact CG2-CD2 3.49Å; V165-L176 VanDerWaalsContact CG2-CD2 3.49Å; V165-L192 HydrophobicContact CG2-CD1 3.56Å; V165-Y193 PolarHBondContact N-O 3.03Å; V165-Y193 VanDerWaalsContact N-O 3.08Å; V165-L194 HydrophobicContact CG2-CD1 3.92Å; V165-L194 WeakPolarHBondContact O-CA 3.19Å; V165-D195 PolarHBondContact O-N 3.07Å
166	E	98.4	Very high	96.9	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	148.1	169.8	-73.5	177.4	-125.1	0	0	111.3	N113 H114 L117 Y169 S170 L176 D195	N113-E166 WeakPolarHBondContact CA-OE1 3.25Å; H114-E166 WeakPolarHBondContact CA-OE1 3.4Å; H114-E166 VanDerWaalsContact CB-OE1 3.26Å; H114-E166 WeakPolarHBondContact CB-OE1 3.28Å; H114-E166 PolarHBondContact N-OE1 2.87Å; L117-E166 HydrophobicContact CD1-CG 4.07Å; E166-Y169 HydrophobicContact CB-CD1 4.02Å; E166-Y169 HydrophobicContact CB-CD2 4.13Å; E166-Y169 HydrophobicContact CB-CE1 3.95Å; E166-Y169 HydrophobicContact CB-CE2 4.07Å; E166-Y169 HydrophobicContact CB-CG 4.11Å; E166-Y169 HydrophobicContact CG-CD1 4.44Å; E166-Y169 HydrophobicContact CG-CE1 4.41Å; E166-Y169 PolarHBondContact N-OH 3.39Å; E166-Y169 VanDerWaalsContact O-CE2 3.28Å; E166-Y169 WeakPolarHBondContact O-CE2 3.25Å; E166-S170 PolarHBondContact OE2-N 2.97Å; E166-L176 WeakPolarHBondContact O-CB 3.5Å; E166-D195 CarbonylContact C-O 3.26Å; E166-D195 WeakPolarHBondContact CA-O 3.49Å; E166-D195 HydrophobicContact CG-CB 4.09Å
167	G	98.2	Very high	96.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-70.9	-49	171.9	0	0	0	0	0	112.2	I175 L176 D195 V210	G167-I175 WeakPolarHBondContact O-CA 3.2Å; G167-L176 PolarHBondContact O-N 3.23Å; G167-D195 PolarHBondContact N-O 2.74Å; G167-V210 WeakPolarHBondContact O-CG1 3.23Å
168	I	98.2	Very high	97.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.079	C	C	.	.	B	Isolated β-bridge	trans	-124.4	123.5	166.1	-73.9	163.2	0	0	0	109.2	S174 I175 H198 L203 S317 P318 V319	I168-S174 VanDerWaalsContact CA-O 3.29Å; I168-S174 WeakPolarHBondContact CA-O 3.37Å; I168-I175 HydrophobicContact CG1-CG1 3.89Å; I168-H198 HydrophobicContact CB-CB 3.71Å; I168-H198 HydrophobicContact CG2-CB 3.77Å; I168-H198 WeakPolarHBondContact O-CB 3.39Å; I168-L203 HydrophobicContact CD1-CD1 3.33Å; I168-L203 HydrophobicContact CD1-CD2 4.18Å; I168-L203 HydrophobicContact CD1-CG 3.54Å; I168-L203 HydrophobicContact CG1-CD1 3.66Å; I168-L203 HydrophobicContact CG1-CG 4.42Å; I168-S317 WeakPolarHBondContact CG2-OG 3.35Å; I168-P318 VanDerWaalsContact CD1-CD 3.49Å; I168-P318 HydrophobicContact CD1-CG 4.18Å; I168-V319 HydrophobicContact CG2-CB 4.48Å; I168-V319 HydrophobicContact CG2-CG2 4.16Å
169	Y	97.1	Very high	97.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.			trans	-75.7	128	179.6	-70.4	-100.1	0	0	0	111.4	D110 L112 H133 E166 M171 G173 S174	D110-Y169 HydrophobicContact CB-CE1 3.91Å; D110-Y169 WeakPolarHBondContact CB-OH 3.26Å; D110-Y169 WeakPolarHBondContact OD1-CE1 3.38Å; D110-Y169 PolarHBondContact OD2-OH 3.39Å; D110-Y169 VanDerWaalsContact OD2-OH 3.09Å; L112-Y169 HydrophobicContact CB-CD1 4.06Å; L112-Y169 HydrophobicContact CB-CE1 4.44Å; H133-Y169 AromaticContact CE1-CD1 3.6Å; H133-Y169 AromaticContact CE1-CD2 3.46Å; H133-Y169 VanDerWaalsContact CE1-CD2 3.46Å; H133-Y169 WeakPolarHBondContact CE1-CD2 3.46Å; H133-Y169 AromaticContact CE1-CE1 3.77Å; H133-Y169 AromaticContact CE1-CE2 3.62Å; H133-Y169 AromaticContact CE1-CG 3.44Å; H133-Y169 VanDerWaalsContact CE1-CG 3.44Å; H133-Y169 AromaticContact CE1-CZ 3.78Å; H133-Y169 AromaticContact ND1-CD1 3.98Å; H133-Y169 AromaticContact ND1-CE1 3.86Å; E166-Y169 HydrophobicContact CB-CD1 4.02Å; E166-Y169 HydrophobicContact CB-CD2 4.13Å; E166-Y169 HydrophobicContact CB-CE1 3.95Å; E166-Y169 HydrophobicContact CB-CE2 4.07Å; E166-Y169 HydrophobicContact CB-CG 4.11Å; E166-Y169 HydrophobicContact CG-CD1 4.44Å; E166-Y169 HydrophobicContact CG-CE1 4.41Å; E166-Y169 PolarHBondContact N-OH 3.39Å; E166-Y169 VanDerWaalsContact O-CE2 3.28Å; E166-Y169 WeakPolarHBondContact O-CE2 3.25Å; Y169-M171 VanDerWaalsContact C-N 3.28Å; Y169-M171 PolarHBondContact O-N 3.37Å; Y169-M171 VanDerWaalsContact O-N 3.16Å; Y169-G173 WeakPolarHBondContact O-CA 3.14Å; Y169-G173 PolarHBondContact O-N 2.99Å; Y169-S174 PolarHBondContact N-O 3.04Å
170	S	92.9	Very high	97.2	Very high	7 Å²	7	17.9 Å²	17.9	5%	0.049	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.8	-169.1	67.9	0	0	0	0	116.6	E166 H198 R360	E166-S170 PolarHBondContact OE2-N 2.97Å; S170-H198 VanDerWaalsContact CB-CD2 3.45Å; S170-H198 WeakPolarHBondContact CB-CD2 3.37Å; S170-H198 WeakPolarHBondContact CB-NE2 3.38Å; S170-R360 WeakPolarHBondContact O-CD 3.29Å; S170-R360 PolarHBondContact O-NH1 3.32Å
171	M	92.3	Very high	97.3	Very high	37 Å²	37	14.3 Å²	14.3	18%	0.182	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-33	-177.4	-62.4	-57.5	137.9	0	0	113.4	Y169 P321 V347 T352 R358	Y169-M171 VanDerWaalsContact C-N 3.28Å; Y169-M171 PolarHBondContact O-N 3.37Å; Y169-M171 VanDerWaalsContact O-N 3.16Å; M171-P321 WeakPolarHBondContact O-CG 3.26Å; M171-V347 HydrophobicContact SD-CG1 3.86Å; M171-V347 HydrophobicContact SD-CG2 4.26Å; M171-T352 HydrophobicContact CB-CG2 4.5Å; M171-R358 WeakPolarHBondContact O-CD 3.27Å; M171-R358 PolarHBondContact O-NH1 2.96Å
172	E	92.2	Very high	97.3	Very high	23 Å²	23	14 Å²	14	11%	0.107	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-27.1	-178	-71.8	59.1	-129.9	0	0	111.3	L112 S174 Y312 G313 P321 R358	L112-E172 HydrophobicContact CD1-CG 3.62Å; E172-S174 PolarHBondContact O-N 3.01Å; E172-Y312 CarbonylContact O-C 3.46Å; E172-G313 WeakPolarHBondContact O-CA 3.39Å; E172-G313 PolarHBondContact O-N 2.97Å; E172-P321 WeakPolarHBondContact O-CG 3.38Å; E172-R358 IonicContact OE1-CZ 3.75Å; E172-R358 IonicContact OE1-NH1 3.32Å; E172-R358 PolarHBondContact OE1-NH1 3.06Å; E172-R358 IonicContact OE1-NH2 2.82Å
173	G	95.6	Very high	97.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.095	C	C	.	.			trans	63.2	18.2	-170.2	0	0	0	0	0	112.8	Y169 G313 N314 S317	Y169-G173 WeakPolarHBondContact O-CA 3.14Å; Y169-G173 PolarHBondContact O-N 2.99Å; G173-G313 VanDerWaalsContact C-CA 3.44Å; G173-G313 VanDerWaalsContact O-CA 3.24Å; G173-G313 WeakPolarHBondContact O-CA 3.27Å; G173-N314 PolarHBondContact O-N 2.96Å; G173-N314 VanDerWaalsContact O-N 3.13Å; G173-S317 WeakPolarHBondContact O-CB 3.4Å; G173-S317 PolarHBondContact O-OG 2.98Å
174	S	97.1	Very high	97.3	Very high	11 Å²	11	17.1 Å²	17.1	8%	0.077	10%	0.098	C	C	.	.	P	Polyproline II helix	trans	-72.9	145.3	173	47.6	0	0	0	0	110.5	H133 I168 Y169 E172 N314	H133-S174 PolarHBondContact CE1-OG 2.95Å; H133-S174 VanDerWaalsContact CE1-OG 3.24Å; H133-S174 PolarHBondContact NE2-OG 2.9Å; I168-S174 VanDerWaalsContact CA-O 3.29Å; I168-S174 WeakPolarHBondContact CA-O 3.37Å; Y169-S174 PolarHBondContact N-O 3.04Å; E172-S174 PolarHBondContact O-N 3.01Å; S174-N314 VanDerWaalsContact CA-OD1 3.29Å; S174-N314 WeakPolarHBondContact CA-OD1 3.31Å
175	I	98.2	Very high	97.2	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-102	131	176.2	-61.4	173.3	0	0	0	107.6	N134 G167 I168 L203 V210 Y213 F214 N314 D316	N134-I175 PolarHBondContact ND2-O 3.42Å; G167-I175 WeakPolarHBondContact O-CA 3.2Å; I168-I175 HydrophobicContact CG1-CG1 3.89Å; I175-L203 HydrophobicContact CD1-CD1 3.91Å; I175-L203 HydrophobicContact CD1-CD2 4.07Å; I175-L203 HydrophobicContact CG1-CD1 4.05Å; I175-L203 HydrophobicContact CG2-CD1 4.14Å; I175-V210 HydrophobicContact CG2-CG1 3.9Å; I175-Y213 HydrophobicContact CG2-CD1 4.45Å; I175-Y213 HydrophobicContact CG2-CE1 4.45Å; I175-F214 HydrophobicContact CG2-CE2 4.01Å; I175-F214 HydrophobicContact CG2-CZ 4.2Å; I175-N314 HydrophobicContact CB-CB 4.31Å; I175-N314 HydrophobicContact CD1-CB 3.77Å; I175-N314 HydrophobicContact CG1-CB 3.92Å; I175-N314 PolarHBondContact N-OD1 3.35Å; I175-D316 HydrophobicContact CD1-CB 4.34Å
176	L	98.2	Very high	97.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-58.5	140.5	177.5	-175.8	68.2	0	0	0	112.6	V165 E166 G167 L178 V181 L194 F214	V165-L176 HydrophobicContact CB-CD1 3.91Å; V165-L176 HydrophobicContact CB-CD2 4.02Å; V165-L176 HydrophobicContact CG1-CD1 4.03Å; V165-L176 HydrophobicContact CG2-CD1 4.24Å; V165-L176 HydrophobicContact CG2-CD2 3.49Å; V165-L176 VanDerWaalsContact CG2-CD2 3.49Å; E166-L176 WeakPolarHBondContact O-CB 3.5Å; G167-L176 PolarHBondContact O-N 3.23Å; L176-L178 HydrophobicContact CD2-CB 4.25Å; L176-L178 HydrophobicContact CD2-CD1 4.08Å; L176-L178 PolarHBondContact O-N 3.45Å; L176-V181 HydrophobicContact CD1-CG2 3.92Å; L176-V181 HydrophobicContact CD2-CG2 4.37Å; L176-V181 HydrophobicContact CG-CG2 4.17Å; L176-L194 HydrophobicContact CD2-CD1 3.61Å; L176-F214 WeakPolarHBondContact O-CE2 3.48Å; L176-F214 WeakPolarHBondContact O-CZ 3.24Å
177	H	97	Very high	97.2	Very high	37 Å²	37	30 Å²	30	17%	0.171	15%	0.153	C	C	.	.			trans	-76.7	63.5	167.1	-56.5	154.1	0	0	0	112.1	N134 M136 P179 E180 V181	N134-H177 PolarHBondContact ND2-CE1 2.87Å; N134-H177 VanDerWaalsContact ND2-CE1 3.31Å; N134-H177 PolarHBondContact ND2-NE2 3.16Å; N134-H177 PolarHBondContact OD1-N 3.46Å; M136-H177 HydrophobicContact CG-CB 4.31Å; M136-H177 HydrophobicContact SD-CB 4.28Å; H177-P179 VanDerWaalsContact C-CD 3.48Å; H177-E180 HydrophobicContact CB-CB 4.45Å; H177-E180 PolarHBondContact O-N 3.44Å; H177-E180 VanDerWaalsContact O-N 3.08Å; H177-V181 PolarHBondContact O-N 3.11Å
178	L	98.4	Very high	97.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-53	-42.3	-170.7	179.5	63.7	0	0	0	114.6	L176 E180 V181 I182 L192 L194 V210 A211 F214 V216 I221	L176-L178 HydrophobicContact CD2-CB 4.25Å; L176-L178 HydrophobicContact CD2-CD1 4.08Å; L176-L178 PolarHBondContact O-N 3.45Å; L178-E180 VanDerWaalsContact C-N 3.29Å; L178-E180 PolarHBondContact O-N 3.27Å; L178-V181 PolarHBondContact O-N 3.41Å; L178-I182 HydrophobicContact CD1-CD1 3.92Å; L178-I182 HydrophobicContact CD1-CG1 4Å; L178-I182 HydrophobicContact CD2-CD1 4.38Å; L178-I182 HydrophobicContact CG-CD1 3.79Å; L178-I182 HydrophobicContact CG-CG1 4.31Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 3.48Å; L178-L192 HydrophobicContact CD1-CD2 3.93Å; L178-L194 HydrophobicContact CD1-CD2 4.27Å; L178-L194 HydrophobicContact CD2-CD2 4.42Å; L178-V210 HydrophobicContact CD2-CB 4.31Å; L178-V210 HydrophobicContact CD2-CG2 3.83Å; L178-A211 HydrophobicContact CD2-CB 4.29Å; L178-F214 HydrophobicContact CB-CD2 3.91Å; L178-F214 HydrophobicContact CB-CE2 4.22Å; L178-V216 HydrophobicContact CD2-CG2 3.51Å; L178-V216 HydrophobicContact CG-CG2 4.17Å; L178-I221 HydrophobicContact CD1-CG1 4.45Å; L178-I221 HydrophobicContact CD2-CD1 4.27Å
179	P	98.5	Very high	97.2	Very high	55 Å²	55	38.4 Å²	38.4	36%	0.357	20%	0.196	S	C	.	.	H	α-helix	trans	-58.9	-37.7	178.3	-25.8	35.8	0	0	0	113.7	H177 A183 F214 V216	H177-P179 VanDerWaalsContact C-CD 3.48Å; P179-A183 PolarHBondContact O-N 3.1Å; P179-A183 VanDerWaalsContact O-N 3.07Å; P179-F214 HydrophobicContact CG-CB 3.94Å; P179-F214 HydrophobicContact CG-CD1 3.94Å; P179-F214 HydrophobicContact CG-CG 3.89Å; P179-V216 HydrophobicContact CG-CG1 4.07Å
180	E	98.5	Very high	97.2	Very high	102 Å²	102	38.6 Å²	38.6	48%	0.477	20%	0.198	S	C	.	.	H	α-helix	trans	-73.2	-40.1	179.1	-66.7	174.6	-110.6	0	0	110.9	M136 H177 L178 I182 A183 L184	M136-E180 HydrophobicContact CG-CB 3.84Å; M136-E180 HydrophobicContact SD-CB 3.93Å; H177-E180 HydrophobicContact CB-CB 4.45Å; H177-E180 PolarHBondContact O-N 3.44Å; H177-E180 VanDerWaalsContact O-N 3.08Å; L178-E180 VanDerWaalsContact C-N 3.29Å; L178-E180 PolarHBondContact O-N 3.27Å; E180-I182 VanDerWaalsContact C-N 3.33Å; E180-I182 PolarHBondContact O-N 3.33Å; E180-A183 WeakPolarHBondContact O-CB 3.08Å; E180-A183 PolarHBondContact O-N 3.05Å; E180-L184 WeakPolarHBondContact O-CG 3.31Å; E180-L184 PolarHBondContact O-N 3.32Å
181	V	98.7	Very high	97.5	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-42.9	173.2	178.3	0	0	0	0	111.3	M136 L139 V163 L176 H177 L178 A183 L184 K185 L192	M136-V181 HydrophobicContact CE-CG2 4.06Å; M136-V181 HydrophobicContact SD-CG2 3.61Å; L139-V181 HydrophobicContact CD2-CG2 4.09Å; V163-V181 HydrophobicContact CG1-CG1 4.21Å; L176-V181 HydrophobicContact CD1-CG2 3.92Å; L176-V181 HydrophobicContact CD2-CG2 4.37Å; L176-V181 HydrophobicContact CG-CG2 4.17Å; H177-V181 PolarHBondContact O-N 3.11Å; L178-V181 PolarHBondContact O-N 3.41Å; V181-A183 VanDerWaalsContact C-N 3.35Å; V181-L184 PolarHBondContact O-N 2.99Å; V181-K185 VanDerWaalsContact O-CB 3.25Å; V181-K185 WeakPolarHBondContact O-CB 3.47Å; V181-K185 PolarHBondContact O-N 2.82Å; V181-L192 HydrophobicContact CG1-CD1 3.74Å; V181-L192 HydrophobicContact CG1-CD2 4.25Å
182	I	98.7	Very high	97.8	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.046	21%	0.207	C	C	.	.	H	α-helix	trans	-63.6	-41.1	176.2	-70.1	167.7	0	0	0	110.9	L178 E180 K185 K186 L192 V216 D220	L178-I182 HydrophobicContact CD1-CD1 3.92Å; L178-I182 HydrophobicContact CD1-CG1 4Å; L178-I182 HydrophobicContact CD2-CD1 4.38Å; L178-I182 HydrophobicContact CG-CD1 3.79Å; L178-I182 HydrophobicContact CG-CG1 4.31Å; L178-I182 WeakPolarHBondContact O-CG1 3.39Å; L178-I182 PolarHBondContact O-N 3.48Å; E180-I182 VanDerWaalsContact C-N 3.33Å; E180-I182 PolarHBondContact O-N 3.33Å; I182-K185 WeakPolarHBondContact O-CB 3.31Å; I182-K185 PolarHBondContact O-N 3.31Å; I182-K186 HydrophobicContact CG2-CD 4.08Å; I182-K186 WeakPolarHBondContact O-CB 3.5Å; I182-K186 WeakPolarHBondContact O-CG 3.41Å; I182-K186 PolarHBondContact O-N 3.5Å; I182-L192 HydrophobicContact CG1-CD2 4.29Å; I182-V216 HydrophobicContact CD1-CB 4.17Å; I182-V216 HydrophobicContact CD1-CG1 4.43Å; I182-V216 HydrophobicContact CD1-CG2 3.99Å; I182-D220 HydrophobicContact CD1-CB 3.86Å; I182-D220 HydrophobicContact CG1-CB 4.24Å; I182-D220 HydrophobicContact CG2-CB 3.88Å
183	A	98.6	Very high	98.1	Very high	57 Å²	57	40.6 Å²	40.6	47%	0.471	20%	0.202	S	C	.	.	H	α-helix	trans	-62	-45.1	176.6	0	0	0	0	0	111.6	P179 E180 V181 K186 K187	P179-A183 PolarHBondContact O-N 3.1Å; P179-A183 VanDerWaalsContact O-N 3.07Å; E180-A183 WeakPolarHBondContact O-CB 3.08Å; E180-A183 PolarHBondContact O-N 3.05Å; V181-A183 VanDerWaalsContact C-N 3.35Å; A183-K186 PolarHBondContact O-N 3Å; A183-K187 WeakPolarHBondContact O-CB 3.4Å; A183-K187 PolarHBondContact O-N 3.05Å
184	L	98.7	Very high	98.3	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-42.4	176.9	-68.6	174.1	0	0	0	112.2	M136 L139 E140 L143 E180 V181 K186 K187 Y188	M136-L184 HydrophobicContact CB-CD1 4.45Å; L139-L184 HydrophobicContact CB-CD1 4.32Å; L139-L184 HydrophobicContact CD2-CD1 3.82Å; L139-L184 HydrophobicContact CG-CD1 3.92Å; E140-L184 HydrophobicContact CB-CD1 4.2Å; E140-L184 HydrophobicContact CB-CD2 3.73Å; E140-L184 HydrophobicContact CG-CD2 3.95Å; L143-L184 HydrophobicContact CD1-CB 3.93Å; E180-L184 WeakPolarHBondContact O-CG 3.31Å; E180-L184 PolarHBondContact O-N 3.32Å; V181-L184 PolarHBondContact O-N 2.99Å; L184-K186 VanDerWaalsContact C-N 3.3Å; L184-K186 PolarHBondContact O-N 3.21Å; L184-K187 PolarHBondContact O-N 3.3Å; L184-Y188 HydrophobicContact CD2-CD2 4.42Å; L184-Y188 HydrophobicContact CD2-CE2 3.96Å; L184-Y188 WeakPolarHBondContact O-CD2 3.11Å; L184-Y188 PolarHBondContact O-N 3.41Å
185	K	97.9	Very high	98.3	Very high	18 Å²	18	40.2 Å²	40.2	8%	0.078	20%	0.199	C	C	.	.	H	α-helix	trans	-50.8	-51.9	172	173.8	-156.2	157.7	168	0	110.5	V181 I182 N189 A190 L192 D220 D222	V181-K185 VanDerWaalsContact O-CB 3.25Å; V181-K185 WeakPolarHBondContact O-CB 3.47Å; V181-K185 PolarHBondContact O-N 2.82Å; I182-K185 WeakPolarHBondContact O-CB 3.31Å; I182-K185 PolarHBondContact O-N 3.31Å; K185-N189 WeakPolarHBondContact O-CA 3.18Å; K185-N189 PolarHBondContact O-N 2.87Å; K185-A190 WeakPolarHBondContact CE-O 3.49Å; K185-A190 WeakPolarHBondContact CG-O 3.49Å; K185-A190 PolarHBondContact O-N 2.79Å; K185-L192 HydrophobicContact CD-CB 3.86Å; K185-L192 HydrophobicContact CG-CB 4.43Å; K185-D220 PolarHBondContact NZ-O 2.93Å; K185-D222 WeakPolarHBondContact CE-OD2 3.45Å; K185-D222 IonicContact NZ-OD1 2.85Å; K185-D222 PolarHBondContact NZ-OD1 3.45Å; K185-D222 IonicContact NZ-OD2 3.82Å; K185-D222 PolarHBondContact NZ-OD2 3.06Å
186	K	98.3	Very high	98.3	Very high	118 Å²	118	40.3 Å²	40.3	51%	0.513	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-44.6	179.9	-72.4	174.3	178.6	175.3	0	111.6	I182 A183 L184 Y188 N189 D220	I182-K186 HydrophobicContact CG2-CD 4.08Å; I182-K186 WeakPolarHBondContact O-CB 3.5Å; I182-K186 WeakPolarHBondContact O-CG 3.41Å; I182-K186 PolarHBondContact O-N 3.5Å; A183-K186 PolarHBondContact O-N 3Å; L184-K186 VanDerWaalsContact C-N 3.3Å; L184-K186 PolarHBondContact O-N 3.21Å; K186-Y188 VanDerWaalsContact C-N 3.35Å; K186-Y188 PolarHBondContact O-N 2.98Å; K186-N189 PolarHBondContact O-N 3.37Å; K186-D220 WeakPolarHBondContact CE-OD1 3.24Å; K186-D220 IonicContact NZ-OD1 2.96Å; K186-D220 PolarHBondContact NZ-OD1 3.13Å; K186-D220 IonicContact NZ-OD2 2.62Å; K186-D220 PolarHBondContact NZ-OD2 3.44Å
187	K	98.5	Very high	98.3	Very high	136 Å²	136	40.7 Å²	40.7	59%	0.591	20%	0.203	S	C	*	.	H	α-helix	trans	-59.8	-41.2	-179.9	-177.9	175.9	177.4	-179.4	0	112.8	E140 A183 L184	E140-K187 WeakPolarHBondContact OE1-CE 3.23Å; E140-K187 IonicContact OE1-NZ 2.68Å; E140-K187 PolarHBondContact OE1-NZ 3.46Å; A183-K187 WeakPolarHBondContact O-CB 3.4Å; A183-K187 PolarHBondContact O-N 3.05Å; L184-K187 PolarHBondContact O-N 3.3Å
188	Y	98	Very high	98.3	Very high	37 Å²	37	39.2 Å²	39.2	15%	0.145	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	9.6	-175.8	-66.3	-76.9	0	0	0	113.9	E140 L143 Q144 V147 L184 K186 A190	E140-Y188 HydrophobicContact CG-CE2 3.85Å; E140-Y188 WeakPolarHBondContact CG-OH 3.37Å; E140-Y188 PolarHBondContact OE1-OH 2.9Å; L143-Y188 HydrophobicContact CB-CD1 4.38Å; L143-Y188 HydrophobicContact CB-CD2 3.85Å; L143-Y188 HydrophobicContact CB-CE2 4.32Å; L143-Y188 HydrophobicContact CB-CG 3.9Å; L143-Y188 HydrophobicContact CD1-CD2 3.93Å; L143-Y188 HydrophobicContact CG-CD2 4.5Å; Q144-Y188 HydrophobicContact CB-CE1 4.03Å; V147-Y188 HydrophobicContact CG2-CD1 4.26Å; L184-Y188 HydrophobicContact CD2-CD2 4.42Å; L184-Y188 HydrophobicContact CD2-CE2 3.96Å; L184-Y188 WeakPolarHBondContact O-CD2 3.11Å; L184-Y188 PolarHBondContact O-N 3.41Å; K186-Y188 VanDerWaalsContact C-N 3.35Å; K186-Y188 PolarHBondContact O-N 2.98Å; Y188-A190 PolarHBondContact O-N 2.99Å
189	N	97.3	Very high	98.3	Very high	140 Å²	140	39.2 Å²	39.2	75%	0.749	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	44.1	-177.8	-168.2	42	0	0	0	113	K185 K186	K185-N189 WeakPolarHBondContact O-CA 3.18Å; K185-N189 PolarHBondContact O-N 2.87Å; K186-N189 PolarHBondContact O-N 3.37Å
190	A	98.5	Very high	98.3	Very high	5 Å²	5	36.6 Å²	36.6	4%	0.041	18%	0.179	C	C	.	.			trans	-95	168.2	176.3	0	0	0	0	0	111.1	L143 I161 V163 K185 Y188	L143-A190 HydrophobicContact CD2-CB 4.19Å; I161-A190 HydrophobicContact CB-CB 4.16Å; I161-A190 HydrophobicContact CG2-CB 4.1Å; I161-A190 WeakPolarHBondContact O-CA 3.48Å; V163-A190 HydrophobicContact CG2-CB 4.22Å; K185-A190 WeakPolarHBondContact CE-O 3.49Å; K185-A190 WeakPolarHBondContact CG-O 3.49Å; K185-A190 PolarHBondContact O-N 2.79Å; Y188-A190 PolarHBondContact O-N 2.99Å
191	Y	98.6	Very high	98.1	Very high	108 Å²	108	31.8 Å²	31.8	42%	0.424	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	156.6	168.6	-61.6	-79.3	0	0	0	110.2	K160 I161 L162 V163 D222	K160-Y191 HydrophobicContact CB-CD2 4.29Å; K160-Y191 HydrophobicContact CB-CE2 4.22Å; K160-Y191 HydrophobicContact CD-CE2 4.27Å; K160-Y191 HydrophobicContact CG-CD2 4.42Å; K160-Y191 HydrophobicContact CG-CE2 3.91Å; I161-Y191 PolarHBondContact O-N 2.96Å; L162-Y191 CarbonylContact C-O 3.53Å; V163-Y191 PolarHBondContact N-O 3.06Å; Y191-D222 VanDerWaalsContact CA-OD2 3.25Å; Y191-D222 WeakPolarHBondContact CA-OD2 3.24Å; Y191-D222 HydrophobicContact CD1-CB 4.31Å
192	L	98.8	Very high	98	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	121.8	179.3	176.1	61.3	0	0	0	110.7	V163 V165 L178 V181 I182 K185 I221 D222 I223	V163-L192 HydrophobicContact CB-CD1 4.3Å; V163-L192 HydrophobicContact CG1-CD1 4.21Å; V165-L192 HydrophobicContact CG2-CD1 3.56Å; L178-L192 HydrophobicContact CD1-CD2 3.93Å; V181-L192 HydrophobicContact CG1-CD1 3.74Å; V181-L192 HydrophobicContact CG1-CD2 4.25Å; I182-L192 HydrophobicContact CG1-CD2 4.29Å; K185-L192 HydrophobicContact CD-CB 3.86Å; K185-L192 HydrophobicContact CG-CB 4.43Å; L192-I221 HydrophobicContact CD2-CB 4.5Å; L192-I221 HydrophobicContact CD2-CG1 4.05Å; L192-I221 HydrophobicContact CD2-CG2 4.44Å; L192-I221 HydrophobicContact CG-CG2 4.44Å; L192-D222 PolarHBondContact N-OD2 3.36Å; L192-D222 PolarHBondContact O-N 2.8Å; L192-I223 PolarHBondContact O-N 2.79Å; L192-I223 VanDerWaalsContact O-N 3.09Å
193	Y	98.8	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.2	166.3	-166.2	-70.8	0	0	0	108.4	N93 L97 L100 L117 V163 V164 V165 I223 M225 L239	N93-Y193 WeakPolarHBondContact OD1-CE1 3.5Å; N93-Y193 PolarHBondContact OD1-OH 2.87Å; L97-Y193 HydrophobicContact CD2-CD2 3.88Å; L97-Y193 HydrophobicContact CD2-CE2 3.9Å; L97-Y193 HydrophobicContact CD2-CG 4.42Å; L97-Y193 HydrophobicContact CG-CE2 4.3Å; L100-Y193 HydrophobicContact CD1-CD2 3.96Å; L100-Y193 HydrophobicContact CD1-CE2 3.76Å; L117-Y193 HydrophobicContact CD2-CD1 4.1Å; L117-Y193 HydrophobicContact CD2-CE1 3.72Å; V163-Y193 PolarHBondContact O-N 2.76Å; V164-Y193 WeakPolarHBondContact CA-O 3.41Å; V164-Y193 HydrophobicContact CG1-CD1 4.35Å; V165-Y193 PolarHBondContact N-O 3.03Å; V165-Y193 VanDerWaalsContact N-O 3.08Å; Y193-I223 HydrophobicContact CD2-CB 3.85Å; Y193-I223 HydrophobicContact CD2-CD1 3.96Å; Y193-I223 HydrophobicContact CD2-CG1 4.44Å; Y193-I223 HydrophobicContact CD2-CG2 3.69Å; Y193-I223 HydrophobicContact CE2-CB 4.34Å; Y193-I223 HydrophobicContact CE2-CD1 4.48Å; Y193-I223 HydrophobicContact CE2-CG2 3.64Å; Y193-I223 HydrophobicContact CG-CB 4.32Å; Y193-I223 HydrophobicContact CG-CG2 4.4Å; Y193-M225 HydrophobicContact CE1-CB 3.61Å; Y193-M225 HydrophobicContact CE1-CG 4.15Å; Y193-L239 HydrophobicContact CE2-CD2 4.17Å; Y193-L239 VanDerWaalsContact OH-CD2 3.22Å; Y193-L239 WeakPolarHBondContact OH-CD2 3.49Å
194	L	98.7	Very high	97.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.7	-178.4	178.4	65.9	0	0	0	110	V165 L176 L178 E196 V210 I221 I223 M225	V165-L194 HydrophobicContact CG2-CD1 3.92Å; V165-L194 WeakPolarHBondContact O-CA 3.19Å; L176-L194 HydrophobicContact CD2-CD1 3.61Å; L178-L194 HydrophobicContact CD1-CD2 4.27Å; L178-L194 HydrophobicContact CD2-CD2 4.42Å; L194-E196 HydrophobicContact CD2-CG 4.04Å; L194-E196 VanDerWaalsContact CD2-OE1 3.31Å; L194-E196 WeakPolarHBondContact CD2-OE1 3.06Å; L194-E196 HydrophobicContact CG-CG 4.08Å; L194-V210 HydrophobicContact CD1-CG2 4.12Å; L194-V210 HydrophobicContact CD2-CG2 3.66Å; L194-V210 HydrophobicContact CG-CG2 4.39Å; L194-I221 HydrophobicContact CB-CG2 3.76Å; L194-I221 HydrophobicContact CD2-CD1 3.51Å; L194-I221 HydrophobicContact CD2-CG1 4.04Å; L194-I221 HydrophobicContact CD2-CG2 4.33Å; L194-I223 PolarHBondContact N-O 3.34Å; L194-M225 PolarHBondContact O-N 2.94Å
195	D	98.7	Very high	97.5	Very high	4 Å²	4	38 Å²	38	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	104	172.7	-174.2	-23.8	0	0	0	110.2	N93 L117 V165 E166 G167 A197 M225	N93-D195 PolarHBondContact ND2-OD2 3.42Å; L117-D195 HydrophobicContact CD1-CB 3.97Å; V165-D195 PolarHBondContact O-N 3.07Å; E166-D195 CarbonylContact C-O 3.26Å; E166-D195 WeakPolarHBondContact CA-O 3.49Å; E166-D195 HydrophobicContact CG-CB 4.09Å; G167-D195 PolarHBondContact N-O 2.74Å; D195-A197 VanDerWaalsContact C-N 3.26Å; D195-A197 PolarHBondContact O-N 2.84Å; D195-A197 WeakPolarHBondContact OD1-CA 3.47Å; D195-A197 WeakPolarHBondContact OD1-CB 3.09Å; D195-A197 PolarHBondContact OD1-N 2.99Å; D195-M225 HydrophobicContact CB-SD 4.23Å
196	E	98	Very high	97.4	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.023	20%	0.201	C	C	.	.			trans	-86.7	15.2	179.4	-67.2	-86.4	-164	0	0	112.4	L194 H198 S199 I200 G209 V210 M225	L194-E196 HydrophobicContact CD2-CG 4.04Å; L194-E196 VanDerWaalsContact CD2-OE1 3.31Å; L194-E196 WeakPolarHBondContact CD2-OE1 3.06Å; L194-E196 HydrophobicContact CG-CG 4.08Å; E196-H198 PolarHBondContact O-N 3.16Å; E196-S199 VanDerWaalsContact CA-OG 3.25Å; E196-S199 WeakPolarHBondContact CA-OG 3.11Å; E196-S199 PolarHBondContact O-N 2.94Å; E196-S199 PolarHBondContact O-OG 3.11Å; E196-S199 WeakPolarHBondContact OE2-CB 3.14Å; E196-S199 PolarHBondContact OE2-OG 2.94Å; E196-I200 HydrophobicContact CB-CB 4.02Å; E196-I200 WeakPolarHBondContact O-CB 3.1Å; E196-I200 VanDerWaalsContact O-CG2 3.23Å; E196-I200 WeakPolarHBondContact O-CG2 3.45Å; E196-I200 PolarHBondContact O-N 2.92Å; E196-G209 VanDerWaalsContact OE2-CA 3.24Å; E196-G209 WeakPolarHBondContact OE2-CA 3.49Å; E196-V210 WeakPolarHBondContact OE1-CG2 3.39Å; E196-V210 PolarHBondContact OE1-N 3.41Å; E196-V210 PolarHBondContact OE2-N 2.81Å; E196-M225 WeakPolarHBondContact CB-O 3.32Å; E196-M225 PolarHBondContact N-O 3.5Å
197	A	97.4	Very high	97.3	Very high	8 Å²	8	36 Å²	36	7%	0.066	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30	-167.2	0	0	0	0	0	115	D195 T227 K230	D195-A197 VanDerWaalsContact C-N 3.26Å; D195-A197 PolarHBondContact O-N 2.84Å; D195-A197 WeakPolarHBondContact OD1-CA 3.47Å; D195-A197 WeakPolarHBondContact OD1-CB 3.09Å; D195-A197 PolarHBondContact OD1-N 2.99Å; A197-T227 HydrophobicContact CB-CG2 3.59Å; A197-T227 WeakPolarHBondContact O-CG2 3.48Å; A197-K230 VanDerWaalsContact C-NZ 3.34Å; A197-K230 VanDerWaalsContact CB-NZ 3.33Å; A197-K230 VanDerWaalsContact O-CD 3.25Å; A197-K230 WeakPolarHBondContact O-CD 3.47Å; A197-K230 PolarHBondContact O-NZ 3.2Å; A197-K230 VanDerWaalsContact O-NZ 3.11Å
198	H	97.5	Very high	97.2	Very high	6 Å²	6	33 Å²	33	3%	0.028	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-11.5	175.2	-78.4	-71.6	0	0	0	114.2	Y27 Y29 I168 S170 E196 K230	Y27-H198 AromaticContact CD1-CE1 3.76Å; Y27-H198 AromaticContact CE1-CE1 3.69Å; Y29-H198 AromaticContact CE2-ND1 3.99Å; Y29-H198 WeakPolarHBondContact CE2-O 3.33Å; Y29-H198 AromaticContact CZ-ND1 3.76Å; Y29-H198 PolarHBondContact OH-ND1 2.92Å; I168-H198 HydrophobicContact CB-CB 3.71Å; I168-H198 HydrophobicContact CG2-CB 3.77Å; I168-H198 WeakPolarHBondContact O-CB 3.39Å; S170-H198 VanDerWaalsContact CB-CD2 3.45Å; S170-H198 WeakPolarHBondContact CB-CD2 3.37Å; S170-H198 WeakPolarHBondContact CB-NE2 3.38Å; E196-H198 PolarHBondContact O-N 3.16Å; H198-K230 PolarHBondContact CD2-NZ 3.04Å; H198-K230 VanDerWaalsContact CE1-CE 3.43Å; H198-K230 WeakPolarHBondContact CE1-CE 3.31Å; H198-K230 PolarHBondContact CE1-NZ 2.81Å; H198-K230 VanDerWaalsContact CG-NZ 3.3Å; H198-K230 WeakPolarHBondContact ND1-CD 3.46Å; H198-K230 PolarHBondContact ND1-NZ 3.03Å; H198-K230 PolarHBondContact NE2-NZ 3.2Å
199	S	97.6	Very high	97.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-32.2	-175.5	37.4	0	0	0	0	113	E196 G201 A202 L203	E196-S199 VanDerWaalsContact CA-OG 3.25Å; E196-S199 WeakPolarHBondContact CA-OG 3.11Å; E196-S199 PolarHBondContact O-N 2.94Å; E196-S199 PolarHBondContact O-OG 3.11Å; E196-S199 WeakPolarHBondContact OE2-CB 3.14Å; E196-S199 PolarHBondContact OE2-OG 2.94Å; S199-G201 PolarHBondContact O-N 3.08Å; S199-A202 PolarHBondContact O-N 3.19Å; S199-L203 PolarHBondContact O-N 3.34Å
200	I	97.9	Very high	97.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-61.1	127.6	174.9	-163.7	68.4	0	0	0	110.3	F77 V78 E196 A202 R208 S231 F232	F77-I200 HydrophobicContact CD1-CD1 4.12Å; F77-I200 HydrophobicContact CE1-CD1 3.59Å; F77-I200 HydrophobicContact CE1-CG1 3.97Å; V78-I200 HydrophobicContact CG1-CD1 4.13Å; E196-I200 HydrophobicContact CB-CB 4.02Å; E196-I200 WeakPolarHBondContact O-CB 3.1Å; E196-I200 VanDerWaalsContact O-CG2 3.23Å; E196-I200 WeakPolarHBondContact O-CG2 3.45Å; E196-I200 PolarHBondContact O-N 2.92Å; I200-A202 PolarHBondContact O-N 3.25Å; I200-R208 WeakPolarHBondContact CD1-O 3.47Å; I200-S231 VanDerWaalsContact O-CB 3.32Å; I200-S231 WeakPolarHBondContact O-CB 3.45Å; I200-S231 PolarHBondContact O-OG 3.13Å; I200-F232 HydrophobicContact CB-CE2 4.44Å; I200-F232 HydrophobicContact CG1-CE2 3.87Å; I200-F232 HydrophobicContact CG1-CZ 3.67Å; I200-F232 HydrophobicContact CG2-CE2 3.73Å; I200-F232 HydrophobicContact CG2-CZ 4.37Å
201	G	96.1	Very high	97.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	2.5	-172.9	0	0	0	0	0	115.1	L30 S199 G207 L290	L30-G201 VanDerWaalsContact CD1-O 3.23Å; L30-G201 WeakPolarHBondContact CD1-O 3.29Å; L30-G201 VanDerWaalsContact CD2-O 3.23Å; L30-G201 WeakPolarHBondContact CD2-O 3.46Å; L30-G201 WeakPolarHBondContact CG-O 3.38Å; S199-G201 PolarHBondContact O-N 3.08Å; G201-G207 WeakPolarHBondContact CA-O 3.19Å; G201-G207 PolarHBondContact N-O 3.29Å; G201-L290 WeakPolarHBondContact O-CD2 3.18Å
202	A	96	Very high	97.1	Very high	11 Å²	11	21.1 Å²	21.1	9%	0.091	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-32.3	-179.5	0	0	0	0	0	114	Y29 S199 I200 L293 P318	Y29-A202 HydrophobicContact CD2-CB 3.95Å; Y29-A202 HydrophobicContact CG-CB 4.48Å; S199-A202 PolarHBondContact O-N 3.19Å; I200-A202 PolarHBondContact O-N 3.25Å; A202-L293 HydrophobicContact CB-CD2 4.03Å; A202-P318 HydrophobicContact CB-CB 4.44Å; A202-P318 HydrophobicContact CB-CG 3.78Å
203	L	96.5	Very high	97.1	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	12%	0.121	C	C	.	.	S	Bend	trans	-113	152.5	179.3	-69.6	-175.6	0	0	0	112.1	I168 I175 S199 G207 R208 G209 V210 Y213 D316	I168-L203 HydrophobicContact CD1-CD1 3.33Å; I168-L203 HydrophobicContact CD1-CD2 4.18Å; I168-L203 HydrophobicContact CD1-CG 3.54Å; I168-L203 HydrophobicContact CG1-CD1 3.66Å; I168-L203 HydrophobicContact CG1-CG 4.42Å; I175-L203 HydrophobicContact CD1-CD1 3.91Å; I175-L203 HydrophobicContact CD1-CD2 4.07Å; I175-L203 HydrophobicContact CG1-CD1 4.05Å; I175-L203 HydrophobicContact CG2-CD1 4.14Å; S199-L203 PolarHBondContact O-N 3.34Å; L203-G207 CarbonylContact O-C 3.54Å; L203-G207 VanDerWaalsContact O-C 3.26Å; L203-G207 VanDerWaalsContact O-CA 3.22Å; L203-G207 WeakPolarHBondContact O-CA 3.43Å; L203-R208 PolarHBondContact O-N 2.87Å; L203-G209 PolarHBondContact O-N 3Å; L203-G209 VanDerWaalsContact O-N 3.13Å; L203-V210 HydrophobicContact CD1-CG1 3.68Å; L203-Y213 HydrophobicContact CB-CD2 4.37Å; L203-Y213 HydrophobicContact CB-CG 4.49Å; L203-Y213 HydrophobicContact CD2-CD2 4.08Å; L203-Y213 HydrophobicContact CD2-CE2 4.33Å; L203-D316 HydrophobicContact CD2-CB 4.07Å; L203-D316 VanDerWaalsContact CD2-O 3.24Å; L203-D316 WeakPolarHBondContact CD2-O 3.13Å
204	G	95.7	Very high	97.1	Very high	20 Å²	20	28 Å²	28	21%	0.206	14%	0.136	C	C	.	.	S	Bend	trans	90	161.9	-179.6	0	0	0	0	0	113.2	M206 G207 D212	G204-M206 VanDerWaalsContact C-N 3.29Å; G204-M206 PolarHBondContact O-N 2.71Å; G204-G207 PolarHBondContact O-N 2.94Å; G204-D212 VanDerWaalsContact C-OD2 3.23Å; G204-D212 VanDerWaalsContact CA-CG 3.41Å; G204-D212 VanDerWaalsContact CA-OD2 3.25Å; G204-D212 WeakPolarHBondContact CA-OD2 3.06Å
205	Q	93.9	Very high	97	Very high	176 Å²	176	31.2 Å²	31.2	82%	0.822	17%	0.17	S	C	*	.	S	Bend	trans	-69.2	-32.8	-177.3	-66.1	-177.6	13.2	0	0	111.6	D212	Q205-D212 PolarHBondContact N-OD1 3.42Å; Q205-D212 VanDerWaalsContact N-OD1 3.13Å; Q205-D212 PolarHBondContact N-OD2 3.01Å
206	M	95	Very high	96.9	Very high	96 Å²	96	32.6 Å²	32.6	47%	0.473	18%	0.178	S	C	.	.	S	Bend	trans	-100.1	4	178	-54.6	-171.4	80.7	0	0	112.3	G204 R208 D212	G204-M206 VanDerWaalsContact C-N 3.29Å; G204-M206 PolarHBondContact O-N 2.71Å; M206-R208 VanDerWaalsContact C-N 3.31Å; M206-R208 HydrophobicContact CB-CG 3.95Å; M206-R208 PolarHBondContact O-N 3.02Å; M206-D212 VanDerWaalsContact CA-OD2 3.32Å; M206-D212 WeakPolarHBondContact CA-OD2 3.43Å; M206-D212 WeakPolarHBondContact CB-OD2 3.49Å; M206-D212 PolarHBondContact N-OD2 3.48Å
207	G	96	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	70.4	23.3	-179.7	0	0	0	0	0	113.7	F77 G201 L203 G204 G209 D212	F77-G207 WeakPolarHBondContact CZ-O 3.35Å; G201-G207 WeakPolarHBondContact CA-O 3.19Å; G201-G207 PolarHBondContact N-O 3.29Å; L203-G207 CarbonylContact O-C 3.54Å; L203-G207 VanDerWaalsContact O-C 3.26Å; L203-G207 VanDerWaalsContact O-CA 3.22Å; L203-G207 WeakPolarHBondContact O-CA 3.43Å; G204-G207 PolarHBondContact O-N 2.94Å; G207-G209 VanDerWaalsContact C-N 3.3Å; G207-G209 PolarHBondContact O-N 3.03Å; G207-D212 PolarHBondContact N-OD2 3.03Å
208	R	96.7	Very high	96.9	Very high	72 Å²	72	37.3 Å²	37.3	27%	0.272	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-89.2	10.2	-173.8	-56.6	172.7	167.6	175.4	-5.8	114.1	F77 I200 L203 M206 D212	F77-R208 HydrophobicContact CD2-CG 4.35Å; F77-R208 HydrophobicContact CE2-CG 4.01Å; F77-R208 HydrophobicContact CZ-CG 4.16Å; F77-R208 WeakPolarHBondContact O-CD 3.25Å; F77-R208 WeakPolarHBondContact O-CG 3.45Å; F77-R208 PolarHBondContact O-NE 3.09Å; I200-R208 WeakPolarHBondContact CD1-O 3.47Å; L203-R208 PolarHBondContact O-N 2.87Å; M206-R208 VanDerWaalsContact C-N 3.31Å; M206-R208 HydrophobicContact CB-CG 3.95Å; M206-R208 PolarHBondContact O-N 3.02Å; R208-D212 HydrophobicContact CB-CB 3.72Å; R208-D212 PolarHBondContact N-OD2 3.27Å
209	G	97.7	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.			trans	100.9	-160.3	176.7	0	0	0	0	0	113.5	E196 L203 G207 A211 D212 Y213	E196-G209 VanDerWaalsContact OE2-CA 3.24Å; E196-G209 WeakPolarHBondContact OE2-CA 3.49Å; L203-G209 PolarHBondContact O-N 3Å; L203-G209 VanDerWaalsContact O-N 3.13Å; G207-G209 VanDerWaalsContact C-N 3.3Å; G207-G209 PolarHBondContact O-N 3.03Å; G209-A211 VanDerWaalsContact C-N 3.27Å; G209-A211 PolarHBondContact O-N 2.46Å; G209-D212 PolarHBondContact O-N 3.4Å; G209-Y213 PolarHBondContact O-N 3.49Å
210	V	97.7	Very high	96.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.9	-26.4	-176.4	-69.8	0	0	0	0	112.7	G167 I175 L178 L194 E196 L203 Y213 F214	G167-V210 WeakPolarHBondContact O-CG1 3.23Å; I175-V210 HydrophobicContact CG2-CG1 3.9Å; L178-V210 HydrophobicContact CD2-CB 4.31Å; L178-V210 HydrophobicContact CD2-CG2 3.83Å; L194-V210 HydrophobicContact CD1-CG2 4.12Å; L194-V210 HydrophobicContact CD2-CG2 3.66Å; L194-V210 HydrophobicContact CG-CG2 4.39Å; E196-V210 WeakPolarHBondContact OE1-CG2 3.39Å; E196-V210 PolarHBondContact OE1-N 3.41Å; E196-V210 PolarHBondContact OE2-N 2.81Å; L203-V210 HydrophobicContact CD1-CG1 3.68Å; V210-Y213 WeakPolarHBondContact O-CB 3.29Å; V210-Y213 PolarHBondContact O-N 3.24Å; V210-F214 HydrophobicContact CB-CD2 4.43Å; V210-F214 VanDerWaalsContact O-CD2 3.31Å; V210-F214 WeakPolarHBondContact O-CD2 3.01Å; V210-F214 PolarHBondContact O-N 3.25Å
211	A	97.7	Very high	96.9	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174.4	0	0	0	0	0	112	L178 G209 G215 V216 P218 I221	L178-A211 HydrophobicContact CD2-CB 4.29Å; G209-A211 VanDerWaalsContact C-N 3.27Å; G209-A211 PolarHBondContact O-N 2.46Å; A211-G215 WeakPolarHBondContact O-CA 3.34Å; A211-G215 PolarHBondContact O-N 2.96Å; A211-V216 HydrophobicContact CB-CG2 4.08Å; A211-V216 PolarHBondContact O-N 3.13Å; A211-P218 HydrophobicContact CB-CG 4.34Å; A211-I221 HydrophobicContact CB-CD1 3.91Å
212	D	97.8	Very high	97	Very high	36 Å²	36	49.2 Å²	49.2	19%	0.193	26%	0.255	C	S	.	.	H	α-helix	trans	-69.6	-36.7	175.7	170.7	23.1	0	0	0	111.8	G204 Q205 M206 G207 R208 G209 F214 G215	G204-D212 VanDerWaalsContact C-OD2 3.23Å; G204-D212 VanDerWaalsContact CA-CG 3.41Å; G204-D212 VanDerWaalsContact CA-OD2 3.25Å; G204-D212 WeakPolarHBondContact CA-OD2 3.06Å; Q205-D212 PolarHBondContact N-OD1 3.42Å; Q205-D212 VanDerWaalsContact N-OD1 3.13Å; Q205-D212 PolarHBondContact N-OD2 3.01Å; M206-D212 VanDerWaalsContact CA-OD2 3.32Å; M206-D212 WeakPolarHBondContact CA-OD2 3.43Å; M206-D212 WeakPolarHBondContact CB-OD2 3.49Å; M206-D212 PolarHBondContact N-OD2 3.48Å; G207-D212 PolarHBondContact N-OD2 3.03Å; R208-D212 HydrophobicContact CB-CB 3.72Å; R208-D212 PolarHBondContact N-OD2 3.27Å; G209-D212 PolarHBondContact O-N 3.4Å; D212-F214 PolarHBondContact O-N 2.93Å; D212-G215 PolarHBondContact O-N 3.13Å
213	Y	98	Very high	97.2	Very high	69 Å²	69	49.1 Å²	49.1	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-57.1	-44.7	174.2	-175.4	-101.9	0	0	0	113.7	I175 L203 G209 V210 D316	I175-Y213 HydrophobicContact CG2-CD1 4.45Å; I175-Y213 HydrophobicContact CG2-CE1 4.45Å; L203-Y213 HydrophobicContact CB-CD2 4.37Å; L203-Y213 HydrophobicContact CB-CG 4.49Å; L203-Y213 HydrophobicContact CD2-CD2 4.08Å; L203-Y213 HydrophobicContact CD2-CE2 4.33Å; G209-Y213 PolarHBondContact O-N 3.49Å; V210-Y213 WeakPolarHBondContact O-CB 3.29Å; V210-Y213 PolarHBondContact O-N 3.24Å; Y213-D316 HydrophobicContact CE2-CB 3.87Å; Y213-D316 WeakPolarHBondContact CE2-OD2 3.24Å; Y213-D316 PolarHBondContact OH-OD2 3.4Å
214	F	97.8	Very high	97.3	Very high	75 Å²	75	49.2 Å²	49.2	33%	0.329	25%	0.254	S	S	.	.	H	α-helix	trans	-90.4	-6.4	178.8	-70.2	-71.5	0	0	0	113.9	I175 L176 L178 P179 V210 D212 V216	I175-F214 HydrophobicContact CG2-CE2 4.01Å; I175-F214 HydrophobicContact CG2-CZ 4.2Å; L176-F214 WeakPolarHBondContact O-CE2 3.48Å; L176-F214 WeakPolarHBondContact O-CZ 3.24Å; L178-F214 HydrophobicContact CB-CD2 3.91Å; L178-F214 HydrophobicContact CB-CE2 4.22Å; P179-F214 HydrophobicContact CG-CB 3.94Å; P179-F214 HydrophobicContact CG-CD1 3.94Å; P179-F214 HydrophobicContact CG-CG 3.89Å; V210-F214 HydrophobicContact CB-CD2 4.43Å; V210-F214 VanDerWaalsContact O-CD2 3.31Å; V210-F214 WeakPolarHBondContact O-CD2 3.01Å; V210-F214 PolarHBondContact O-N 3.25Å; D212-F214 PolarHBondContact O-N 2.93Å; F214-V216 VanDerWaalsContact C-N 3.28Å; F214-V216 HydrophobicContact CB-CG1 4.08Å; F214-V216 PolarHBondContact O-N 3.35Å
215	G	97.2	Very high	97.4	Very high	68 Å²	68	48.4 Å²	48.4	70%	0.701	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	33.1	-175.5	0	0	0	0	0	113.3	A211 D212	A211-G215 WeakPolarHBondContact O-CA 3.34Å; A211-G215 PolarHBondContact O-N 2.96Å; D212-G215 PolarHBondContact O-N 3.13Å
216	V	97.3	Very high	97.6	Very high	32 Å²	32	40 Å²	40	19%	0.194	21%	0.206	C	C	.	.			trans	-90.2	153.4	174.7	-61.9	0	0	0	0	110.2	L178 P179 I182 A211 F214 P218	L178-V216 HydrophobicContact CD2-CG2 3.51Å; L178-V216 HydrophobicContact CG-CG2 4.17Å; P179-V216 HydrophobicContact CG-CG1 4.07Å; I182-V216 HydrophobicContact CD1-CB 4.17Å; I182-V216 HydrophobicContact CD1-CG1 4.43Å; I182-V216 HydrophobicContact CD1-CG2 3.99Å; A211-V216 HydrophobicContact CB-CG2 4.08Å; A211-V216 PolarHBondContact O-N 3.13Å; F214-V216 VanDerWaalsContact C-N 3.28Å; F214-V216 HydrophobicContact CB-CG1 4.08Å; F214-V216 PolarHBondContact O-N 3.35Å; V216-P218 VanDerWaalsContact O-CD 3.31Å; V216-P218 WeakPolarHBondContact O-CD 3.13Å
217	D	97.5	Very high	97.7	Very high	83 Å²	83	35.7 Å²	35.7	44%	0.444	19%	0.185	S	C	.	.			trans	-65.2	121	175.9	-173.2	-13.5	0	0	0	109.6	R219 D220	D217-R219 PolarHBondContact O-N 2.77Å; D217-R219 WeakPolarHBondContact OD1-CB 3.07Å; D217-R219 WeakPolarHBondContact OD1-CG 3.21Å; D217-R219 PolarHBondContact OD1-N 2.89Å; D217-D220 WeakPolarHBondContact O-CB 3.35Å; D217-D220 PolarHBondContact O-N 3.4Å
218	P	97.2	Very high	97.8	Very high	30 Å²	30	35.7 Å²	35.7	20%	0.195	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-54.9	-27.1	176.4	-25.8	35	0	0	0	113.4	V78 Q80 A211 V216 D220 I221	V78-P218 WeakPolarHBondContact O-CB 3.45Å; Q80-P218 PolarHBondContact NE2-O 2.97Å; A211-P218 HydrophobicContact CB-CG 4.34Å; V216-P218 VanDerWaalsContact O-CD 3.31Å; V216-P218 WeakPolarHBondContact O-CD 3.13Å; P218-D220 PolarHBondContact O-N 3.34Å; P218-I221 WeakPolarHBondContact O-CB 3.25Å; P218-I221 PolarHBondContact O-N 2.92Å
219	R	97.3	Very high	97.7	Very high	169 Å²	169	35.4 Å²	35.4	64%	0.638	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-69.1	-13.7	178.9	-57.9	-179.2	-163.7	-168.2	7	113.9	D217 I221	D217-R219 PolarHBondContact O-N 2.77Å; D217-R219 WeakPolarHBondContact OD1-CB 3.07Å; D217-R219 WeakPolarHBondContact OD1-CG 3.21Å; D217-R219 PolarHBondContact OD1-N 2.89Å; R219-I221 PolarHBondContact O-N 2.92Å
220	D	97.9	Very high	97.7	Very high	43 Å²	43	36.4 Å²	36.4	23%	0.23	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-72.7	-10.6	169.4	-83.8	-31.4	0	0	0	112.5	I182 K185 K186 D217 P218	I182-D220 HydrophobicContact CD1-CB 3.86Å; I182-D220 HydrophobicContact CG1-CB 4.24Å; I182-D220 HydrophobicContact CG2-CB 3.88Å; K185-D220 PolarHBondContact NZ-O 2.93Å; K186-D220 WeakPolarHBondContact CE-OD1 3.24Å; K186-D220 IonicContact NZ-OD1 2.96Å; K186-D220 PolarHBondContact NZ-OD1 3.13Å; K186-D220 IonicContact NZ-OD2 2.62Å; K186-D220 PolarHBondContact NZ-OD2 3.44Å; D217-D220 WeakPolarHBondContact O-CB 3.35Å; D217-D220 PolarHBondContact O-N 3.4Å; P218-D220 PolarHBondContact O-N 3.34Å
221	I	98.5	Very high	97.6	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	20%	0.196	C	C	.	.			trans	-96.7	122.4	171.7	-58.3	152.8	0	0	0	108.4	Q80 L178 L192 L194 A211 P218 R219 S224	Q80-I221 PolarHBondContact NE2-O 3.33Å; L178-I221 HydrophobicContact CD1-CG1 4.45Å; L178-I221 HydrophobicContact CD2-CD1 4.27Å; L192-I221 HydrophobicContact CD2-CB 4.5Å; L192-I221 HydrophobicContact CD2-CG1 4.05Å; L192-I221 HydrophobicContact CD2-CG2 4.44Å; L192-I221 HydrophobicContact CG-CG2 4.44Å; L194-I221 HydrophobicContact CB-CG2 3.76Å; L194-I221 HydrophobicContact CD2-CD1 3.51Å; L194-I221 HydrophobicContact CD2-CG1 4.04Å; L194-I221 HydrophobicContact CD2-CG2 4.33Å; A211-I221 HydrophobicContact CB-CD1 3.91Å; P218-I221 WeakPolarHBondContact O-CB 3.25Å; P218-I221 PolarHBondContact O-N 2.92Å; R219-I221 PolarHBondContact O-N 2.92Å; I221-S224 WeakPolarHBondContact CG2-OG 3.22Å
222	D	98.5	Very high	97.6	Very high	43 Å²	43	36.2 Å²	36.2	23%	0.23	19%	0.194	C	C	.	.	S	Bend	trans	-75.1	-36.5	-177.3	-51	-75.9	0	0	0	112	K185 Y191 L192	K185-D222 WeakPolarHBondContact CE-OD2 3.45Å; K185-D222 IonicContact NZ-OD1 2.85Å; K185-D222 PolarHBondContact NZ-OD1 3.45Å; K185-D222 IonicContact NZ-OD2 3.82Å; K185-D222 PolarHBondContact NZ-OD2 3.06Å; Y191-D222 VanDerWaalsContact CA-OD2 3.25Å; Y191-D222 WeakPolarHBondContact CA-OD2 3.24Å; Y191-D222 HydrophobicContact CD1-CB 4.31Å; L192-D222 PolarHBondContact N-OD2 3.36Å; L192-D222 PolarHBondContact O-N 2.8Å
223	I	98.6	Very high	97.4	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.041	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	105.4	-178.8	-47.5	-176.1	0	0	0	109	L100 L192 Y193 L194 L239 L245	L100-I223 HydrophobicContact CD1-CD1 3.4Å; L100-I223 VanDerWaalsContact CD1-CD1 3.4Å; L100-I223 HydrophobicContact CD2-CD1 3.71Å; L100-I223 HydrophobicContact CG-CD1 4.13Å; L192-I223 PolarHBondContact O-N 2.79Å; L192-I223 VanDerWaalsContact O-N 3.09Å; Y193-I223 HydrophobicContact CD2-CB 3.85Å; Y193-I223 HydrophobicContact CD2-CD1 3.96Å; Y193-I223 HydrophobicContact CD2-CG1 4.44Å; Y193-I223 HydrophobicContact CD2-CG2 3.69Å; Y193-I223 HydrophobicContact CE2-CB 4.34Å; Y193-I223 HydrophobicContact CE2-CD1 4.48Å; Y193-I223 HydrophobicContact CE2-CG2 3.64Å; Y193-I223 HydrophobicContact CG-CB 4.32Å; Y193-I223 HydrophobicContact CG-CG2 4.4Å; L194-I223 PolarHBondContact N-O 3.34Å; I223-L239 HydrophobicContact CG2-CD2 3.91Å; I223-L245 HydrophobicContact CD1-CD2 3.8Å; I223-L245 HydrophobicContact CG1-CD2 3.6Å
224	S	98.4	Very high	97.3	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	114	170.1	-57.4	0	0	0	0	108.6	Q80 I221 L239 A240	Q80-S224 PolarHBondContact NE2-OG 3.03Å; I221-S224 WeakPolarHBondContact CG2-OG 3.22Å; S224-L239 WeakPolarHBondContact O-CA 3.29Å; S224-A240 PolarHBondContact N-O 3.36Å; S224-A240 PolarHBondContact O-N 3.25Å
225	M	98.3	Very high	97.2	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	143.1	172.3	-176.8	-83.7	-171.7	0	0	109.5	G89 T92 N93 Y193 L194 D195 E196 Y238 L239	G89-M225 VanDerWaalsContact O-CE 3.24Å; G89-M225 WeakPolarHBondContact O-CE 3.49Å; T92-M225 HydrophobicContact CG2-CE 3.96Å; T92-M225 HydrophobicContact CG2-CG 3.84Å; N93-M225 HydrophobicContact CB-CE 4.48Å; N93-M225 VanDerWaalsContact CG-CE 3.46Å; N93-M225 WeakPolarHBondContact ND2-CE 3.48Å; N93-M225 WeakPolarHBondContact OD1-CE 3.16Å; N93-M225 WeakPolarHBondContact OD1-CG 3.35Å; Y193-M225 HydrophobicContact CE1-CB 3.61Å; Y193-M225 HydrophobicContact CE1-CG 4.15Å; L194-M225 PolarHBondContact O-N 2.94Å; D195-M225 HydrophobicContact CB-SD 4.23Å; E196-M225 WeakPolarHBondContact CB-O 3.32Å; E196-M225 PolarHBondContact N-O 3.5Å; M225-Y238 WeakPolarHBondContact CA-O 3.2Å; M225-L239 HydrophobicContact CB-CD2 3.64Å; M225-L239 HydrophobicContact CG-CD2 3.72Å
226	G	97.7	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	168.6	168.1	0	0	0	0	0	112.7	G237 Y238	G226-G237 CarbonylContact O-C 3.46Å; G226-G237 WeakPolarHBondContact O-CA 3.45Å; G226-Y238 VanDerWaalsContact CA-CE1 3.49Å; G226-Y238 PolarHBondContact N-O 3.22Å; G226-Y238 PolarHBondContact O-N 3.28Å
227	T	97.6	Very high	97.2	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.037	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.9	175.4	-169.9	0	0	0	0	111.1	A197 T229 K230 G236	A197-T227 HydrophobicContact CB-CG2 3.59Å; A197-T227 WeakPolarHBondContact O-CG2 3.48Å; T227-T229 WeakPolarHBondContact CG2-OG1 3.39Å; T227-T229 WeakPolarHBondContact OG1-CG2 3.29Å; T227-T229 PolarHBondContact OG1-N 3.47Å; T227-T229 PolarHBondContact OG1-OG1 2.92Å; T227-K230 HydrophobicContact CG2-CB 4.44Å; T227-K230 HydrophobicContact CG2-CD 4.19Å; T227-K230 HydrophobicContact CG2-CG 3.87Å; T227-G236 PolarHBondContact OG1-O 3.31Å; T227-G236 VanDerWaalsContact OG1-O 3.06Å
228	F	97.9	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-89.6	-6.5	172.1	-56.6	-57.5	0	0	0	113	V74 V85 K230 F232 S234 G236 G237 Y238 M262 I270 I274	V74-F228 HydrophobicContact CG2-CE1 4.02Å; V74-F228 HydrophobicContact CG2-CZ 3.84Å; V85-F228 HydrophobicContact CB-CE2 4.31Å; V85-F228 HydrophobicContact CG1-CE2 4.03Å; V85-F228 HydrophobicContact CG1-CZ 4Å; F228-K230 PolarHBondContact O-N 3.15Å; F228-F232 AromaticContact CD1-CD2 3.85Å; F228-F232 HydrophobicContact CD1-CD2 3.85Å; F228-F232 HydrophobicContact CD1-CE2 4.18Å; F228-F232 HydrophobicContact CD1-CG 4.24Å; F228-S234 CarbonylContact O-C 3.11Å; F228-S234 PolarHBondContact O-N 3.02Å; F228-G236 VanDerWaalsContact CD2-C 3.5Å; F228-G236 PolarHBondContact N-O 3.12Å; F228-G237 WeakPolarHBondContact CE2-O 3.41Å; F228-Y238 HydrophobicContact CD1-CD1 4.42Å; F228-Y238 AromaticContact CE1-CD1 3.57Å; F228-Y238 HydrophobicContact CE1-CD1 3.57Å; F228-Y238 HydrophobicContact CE1-CE1 4.07Å; F228-Y238 HydrophobicContact CE2-CD1 4.17Å; F228-Y238 AromaticContact CZ-CD1 3.42Å; F228-Y238 HydrophobicContact CZ-CD1 3.42Å; F228-Y238 VanDerWaalsContact CZ-CD1 3.42Å; F228-Y238 HydrophobicContact CZ-CE1 4.36Å; F228-Y238 HydrophobicContact CZ-CG 4.07Å; F228-M262 HydrophobicContact CD2-CE 4.01Å; F228-M262 HydrophobicContact CE2-CE 4.07Å; F228-I270 HydrophobicContact CB-CD1 3.77Å; F228-I270 HydrophobicContact CB-CG1 3.87Å; F228-I270 HydrophobicContact CD1-CB 4.43Å; F228-I270 HydrophobicContact CD1-CD1 4.07Å; F228-I270 HydrophobicContact CD1-CG1 4.07Å; F228-I270 HydrophobicContact CD1-CG2 3.44Å; F228-I270 VanDerWaalsContact CD1-CG2 3.44Å; F228-I270 HydrophobicContact CD2-CD1 3.41Å; F228-I270 VanDerWaalsContact CD2-CD1 3.41Å; F228-I270 HydrophobicContact CD2-CG1 4.27Å; F228-I270 HydrophobicContact CE1-CG2 3.5Å; F228-I270 VanDerWaalsContact CE1-CG2 3.5Å; F228-I270 HydrophobicContact CE2-CD1 3.95Å; F228-I270 HydrophobicContact CG-CD1 3.47Å; F228-I270 VanDerWaalsContact CG-CD1 3.47Å; F228-I270 HydrophobicContact CG-CG1 3.81Å; F228-I270 HydrophobicContact CG-CG2 4.03Å; F228-I270 HydrophobicContact CZ-CD1 4.48Å; F228-I270 HydrophobicContact CZ-CG2 4.13Å; F228-I274 HydrophobicContact CE1-CD1 4.48Å
229	T	95.9	Very high	97.3	Very high	66 Å²	66	22 Å²	22	41%	0.405	12%	0.118	S	C	.	.	S	Bend	trans	-76.7	0.4	-173.6	65.7	0	0	0	0	115.7	T227 S234	T227-T229 WeakPolarHBondContact CG2-OG1 3.39Å; T227-T229 WeakPolarHBondContact OG1-CG2 3.29Å; T227-T229 PolarHBondContact OG1-N 3.47Å; T227-T229 PolarHBondContact OG1-OG1 2.92Å; T229-S234 VanDerWaalsContact CA-O 3.27Å; T229-S234 WeakPolarHBondContact CA-O 3.39Å
230	K	96.7	Very high	97.3	Very high	21 Å²	21	14 Å²	14	9%	0.091	9%	0.088	C	C	.	.	S	Bend	trans	-123	-102	-173.4	-55.1	-167.3	-158.3	140.9	0	110.7	Y27 Y29 A197 H198 T227 F228 F232 G233	Y27-K230 HydrophobicContact CD2-CD 4.06Å; Y27-K230 HydrophobicContact CD2-CG 4.11Å; Y27-K230 HydrophobicContact CG-CD 3.86Å; Y27-K230 HydrophobicContact CG-CG 4.09Å; Y27-K230 CarbonylContact O-C 3.55Å; Y27-K230 VanDerWaalsContact O-CA 3.24Å; Y27-K230 WeakPolarHBondContact O-CA 3.11Å; Y27-K230 WeakPolarHBondContact O-CB 3.4Å; Y29-K230 HydrophobicContact CD2-CB 4.46Å; Y29-K230 HydrophobicContact CE2-CB 4.38Å; Y29-K230 HydrophobicContact CE2-CD 4.42Å; A197-K230 VanDerWaalsContact C-NZ 3.34Å; A197-K230 VanDerWaalsContact CB-NZ 3.33Å; A197-K230 VanDerWaalsContact O-CD 3.25Å; A197-K230 WeakPolarHBondContact O-CD 3.47Å; A197-K230 PolarHBondContact O-NZ 3.2Å; A197-K230 VanDerWaalsContact O-NZ 3.11Å; H198-K230 PolarHBondContact CD2-NZ 3.04Å; H198-K230 VanDerWaalsContact CE1-CE 3.43Å; H198-K230 WeakPolarHBondContact CE1-CE 3.31Å; H198-K230 PolarHBondContact CE1-NZ 2.81Å; H198-K230 VanDerWaalsContact CG-NZ 3.3Å; H198-K230 WeakPolarHBondContact ND1-CD 3.46Å; H198-K230 PolarHBondContact ND1-NZ 3.03Å; H198-K230 PolarHBondContact NE2-NZ 3.2Å; T227-K230 HydrophobicContact CG2-CB 4.44Å; T227-K230 HydrophobicContact CG2-CD 4.19Å; T227-K230 HydrophobicContact CG2-CG 3.87Å; F228-K230 PolarHBondContact O-N 3.15Å; K230-F232 PolarHBondContact O-N 3.17Å; K230-G233 PolarHBondContact O-N 3.06Å
231	S	96.1	Very high	97.3	Very high	0 Å²	0	12 Å²	12	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-34.5	-176.3	-52.5	0	0	0	0	113.7	Y29 F32 I200	Y29-S231 WeakPolarHBondContact CD2-OG 3.42Å; F32-S231 WeakPolarHBondContact CD2-O 3.22Å; I200-S231 VanDerWaalsContact O-CB 3.32Å; I200-S231 WeakPolarHBondContact O-CB 3.45Å; I200-S231 PolarHBondContact O-OG 3.13Å
232	F	96.8	Very high	97.3	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.6	-176.1	-52.6	-75.2	0	0	0	114.5	F77 I200 F228 K230 S234 S273 I274 I277	F77-F232 HydrophobicContact CD1-CZ 4.45Å; F77-F232 HydrophobicContact CE1-CE1 4.17Å; F77-F232 AromaticContact CE1-CZ 3.92Å; F77-F232 HydrophobicContact CE1-CZ 3.92Å; I200-F232 HydrophobicContact CB-CE2 4.44Å; I200-F232 HydrophobicContact CG1-CE2 3.87Å; I200-F232 HydrophobicContact CG1-CZ 3.67Å; I200-F232 HydrophobicContact CG2-CE2 3.73Å; I200-F232 HydrophobicContact CG2-CZ 4.37Å; F228-F232 AromaticContact CD1-CD2 3.85Å; F228-F232 HydrophobicContact CD1-CD2 3.85Å; F228-F232 HydrophobicContact CD1-CE2 4.18Å; F228-F232 HydrophobicContact CD1-CG 4.24Å; K230-F232 PolarHBondContact O-N 3.17Å; F232-S234 VanDerWaalsContact C-N 3.28Å; F232-S234 PolarHBondContact O-N 2.67Å; F232-S273 WeakPolarHBondContact CD1-OG 3.38Å; F232-I274 HydrophobicContact CD1-CG1 3.8Å; F232-I274 HydrophobicContact CE1-CD1 4.33Å; F232-I274 HydrophobicContact CE1-CG1 3.56Å; F232-I274 HydrophobicContact CZ-CG1 4.41Å; F232-I277 HydrophobicContact CD1-CD1 3.86Å; F232-I277 HydrophobicContact CE1-CD1 3.69Å
233	G	94.5	Very high	97.3	Very high	25 Å²	25	18.1 Å²	18.1	26%	0.258	10%	0.103	S	C	.	.	S	Bend	trans	59	33.2	177.7	0	0	0	0	0	114.6	K230 Q269	K230-G233 PolarHBondContact O-N 3.06Å; G233-Q269 PolarHBondContact O-NE2 2.77Å
234	S	96	Very high	97.3	Very high	21 Å²	21	26 Å²	26	15%	0.147	14%	0.137	C	C	.	.	S	Bend	trans	-131	-153.1	-178.4	-164.2	0	0	0	0	111.7	F228 T229 F232 I266 I270	F228-S234 CarbonylContact O-C 3.11Å; F228-S234 PolarHBondContact O-N 3.02Å; T229-S234 VanDerWaalsContact CA-O 3.27Å; T229-S234 WeakPolarHBondContact CA-O 3.39Å; F232-S234 VanDerWaalsContact C-N 3.28Å; F232-S234 PolarHBondContact O-N 2.67Å; S234-I266 WeakPolarHBondContact OG-CG2 3.49Å; S234-I266 PolarHBondContact OG-O 2.78Å; S234-I270 VanDerWaalsContact CB-CG1 3.44Å; S234-I270 WeakPolarHBondContact OG-CG1 3.23Å
235	S	95.5	Very high	97.2	Very high	47 Å²	47	27.5 Å²	27.5	33%	0.329	14%	0.144	S	C	.	.			trans	-133.5	153.7	175.2	-171.6	0	0	0	0	111.9	I266	S235-I266 VanDerWaalsContact O-CG2 3.31Å; S235-I266 WeakPolarHBondContact O-CG2 3.43Å
236	G	96.1	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.143	C	C	.	.			trans	107.4	-170.2	179.1	0	0	0	0	0	114.5	F86 S87 T227 F228	F86-G236 CarbonylContact O-C 3.56Å; F86-G236 WeakPolarHBondContact O-CA 3.39Å; S87-G236 VanDerWaalsContact C-CA 3.45Å; S87-G236 WeakPolarHBondContact O-CA 3.25Å; T227-G236 PolarHBondContact OG1-O 3.31Å; T227-G236 VanDerWaalsContact OG1-O 3.06Å; F228-G236 VanDerWaalsContact CD2-C 3.5Å; F228-G236 PolarHBondContact N-O 3.12Å
237	G	97.5	Very high	97.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	180	174.8	0	0	0	0	0	111.7	V85 F86 G226 F228	V85-G237 WeakPolarHBondContact CA-O 3.25Å; F86-G237 PolarHBondContact N-O 3.48Å; F86-G237 PolarHBondContact O-N 3.27Å; G226-G237 CarbonylContact O-C 3.46Å; G226-G237 WeakPolarHBondContact O-CA 3.45Å; F228-G237 WeakPolarHBondContact CE2-O 3.41Å
238	Y	98.3	Very high	97.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	159.7	-178.2	66.5	-92	0	0	0	111.9	V74 V78 I84 M225 G226 F228 A240	V74-Y238 HydrophobicContact CG1-CD1 4.02Å; V74-Y238 HydrophobicContact CG1-CD2 3.56Å; V74-Y238 HydrophobicContact CG1-CE1 4.33Å; V74-Y238 HydrophobicContact CG1-CE2 3.94Å; V74-Y238 HydrophobicContact CG1-CG 3.61Å; V78-Y238 HydrophobicContact CG1-CE2 3.92Å; V78-Y238 WeakPolarHBondContact CG1-OH 3.42Å; I84-Y238 CarbonylContact O-C 3.22Å; I84-Y238 WeakPolarHBondContact O-CA 3.24Å; I84-Y238 WeakPolarHBondContact O-CB 3.48Å; M225-Y238 WeakPolarHBondContact CA-O 3.2Å; G226-Y238 VanDerWaalsContact CA-CE1 3.49Å; G226-Y238 PolarHBondContact N-O 3.22Å; G226-Y238 PolarHBondContact O-N 3.28Å; F228-Y238 HydrophobicContact CD1-CD1 4.42Å; F228-Y238 AromaticContact CE1-CD1 3.57Å; F228-Y238 HydrophobicContact CE1-CD1 3.57Å; F228-Y238 HydrophobicContact CE1-CE1 4.07Å; F228-Y238 HydrophobicContact CE2-CD1 4.17Å; F228-Y238 AromaticContact CZ-CD1 3.42Å; F228-Y238 HydrophobicContact CZ-CD1 3.42Å; F228-Y238 VanDerWaalsContact CZ-CD1 3.42Å; F228-Y238 HydrophobicContact CZ-CE1 4.36Å; F228-Y238 HydrophobicContact CZ-CG 4.07Å; Y238-A240 HydrophobicContact CD2-CB 4.06Å; Y238-A240 HydrophobicContact CE2-CB 4.19Å
239	L	98.5	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	134.1	160.3	-63.3	175.2	0	0	0	108.4	A83 I84 F86 T92 N96 Y193 I223 S224 M225 I246 L249	A83-L239 CarbonylContact C-O 3.6Å; A83-L239 WeakPolarHBondContact CA-O 3.15Å; I84-L239 HydrophobicContact CG2-CB 4.08Å; I84-L239 PolarHBondContact N-O 3.49Å; I84-L239 PolarHBondContact O-N 2.84Å; F86-L239 HydrophobicContact CE2-CB 4.31Å; F86-L239 HydrophobicContact CE2-CD1 3.97Å; F86-L239 HydrophobicContact CE2-CG 3.87Å; F86-L239 HydrophobicContact CZ-CD1 4.37Å; T92-L239 HydrophobicContact CG2-CD2 3.86Å; T92-L239 HydrophobicContact CG2-CG 3.86Å; N96-L239 HydrophobicContact CB-CD1 3.54Å; Y193-L239 HydrophobicContact CE2-CD2 4.17Å; Y193-L239 VanDerWaalsContact OH-CD2 3.22Å; Y193-L239 WeakPolarHBondContact OH-CD2 3.49Å; I223-L239 HydrophobicContact CG2-CD2 3.91Å; S224-L239 WeakPolarHBondContact O-CA 3.29Å; M225-L239 HydrophobicContact CB-CD2 3.64Å; M225-L239 HydrophobicContact CG-CD2 3.72Å; L239-I246 HydrophobicContact CB-CD1 4.44Å; L239-L249 HydrophobicContact CB-CD1 4.36Å; L239-L249 HydrophobicContact CD1-CD1 3.78Å
240	A	98.7	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147	177.3	0	0	0	0	0	110.3	V78 Q80 A82 A83 S224 Y238	V78-A240 HydrophobicContact CG2-CB 3.58Å; Q80-A240 HydrophobicContact CB-CB 3.88Å; Q80-A240 HydrophobicContact CG-CB 3.9Å; A82-A240 VanDerWaalsContact O-CA 3.26Å; A82-A240 WeakPolarHBondContact O-CA 3.42Å; A83-A240 HydrophobicContact CB-CB 3.85Å; S224-A240 PolarHBondContact N-O 3.36Å; S224-A240 PolarHBondContact O-N 3.25Å; Y238-A240 HydrophobicContact CD2-CB 4.06Å; Y238-A240 HydrophobicContact CE2-CB 4.19Å
241	G	98.4	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174	-159.2	-173.7	0	0	0	0	0	110.8	E81 A82	E81-G241 PolarHBondContact N-O 3.18Å; A82-G241 PolarHBondContact N-O 3.27Å; A82-G241 VanDerWaalsContact N-O 3.14Å; A82-G241 PolarHBondContact O-N 3.28Å
242	N	97.7	Very high	96.8	Very high	80 Å²	80	39.8 Å²	39.8	43%	0.428	20%	0.204	S	C	.	.			trans	-64.3	150.3	176.3	77.1	5.5	0	0	0	111.9	E81 K244 L245 I246	E81-N242 WeakPolarHBondContact OE2-CA 3.28Å; N242-K244 VanDerWaalsContact C-N 3.29Å; N242-K244 PolarHBondContact O-N 3.18Å; N242-L245 PolarHBondContact O-N 3.12Å; N242-L245 WeakPolarHBondContact OD1-CA 3.41Å; N242-L245 WeakPolarHBondContact OD1-CB 3.48Å; N242-L245 PolarHBondContact OD1-N 2.83Å; N242-I246 WeakPolarHBondContact O-CG1 3.2Å; N242-I246 PolarHBondContact O-N 2.86Å; N242-I246 VanDerWaalsContact O-N 3.15Å
243	R	98.3	Very high	96.6	Very high	94 Å²	94	39.7 Å²	39.7	36%	0.355	20%	0.203	S	C	.	.	H	α-helix	trans	-55.1	-45.6	-175.4	177.6	67.3	67	-175.4	-4.1	111.7	E81 L245 I246 D247	E81-R243 HydrophobicContact CB-CB 4.38Å; E81-R243 PolarHBondContact O-NH2 2.72Å; E81-R243 PolarHBondContact OE2-N 2.98Å; R243-L245 VanDerWaalsContact C-N 3.34Å; R243-L245 PolarHBondContact O-N 2.83Å; R243-I246 PolarHBondContact O-N 3.06Å; R243-D247 WeakPolarHBondContact CD-OD2 3.32Å; R243-D247 WeakPolarHBondContact CG-OD2 3.4Å; R243-D247 WeakPolarHBondContact O-CB 3.38Å; R243-D247 VanDerWaalsContact O-CG 3.26Å; R243-D247 PolarHBondContact O-N 3.39Å
244	K	98	Very high	96.5	Very high	175 Å²	175	44.2 Å²	44.2	76%	0.761	21%	0.214	S	C	*	.	H	α-helix	trans	-60.1	-40.7	-177.9	-171.8	177	-179.8	178.7	0	112.6	N242 Y248	N242-K244 VanDerWaalsContact C-N 3.29Å; N242-K244 PolarHBondContact O-N 3.18Å; K244-Y248 WeakPolarHBondContact O-CB 3.47Å; K244-Y248 PolarHBondContact O-N 3.18Å
245	L	97.3	Very high	96.1	Very high	36 Å²	36	44 Å²	44	19%	0.188	21%	0.211	C	C	.	.	H	α-helix	trans	-67.9	-45.5	176.6	176.5	66	0	0	0	111.3	L100 I223 N242 R243 D247 Y248 L249	L100-L245 HydrophobicContact CD2-CD1 3.66Å; I223-L245 HydrophobicContact CD1-CD2 3.8Å; I223-L245 HydrophobicContact CG1-CD2 3.6Å; N242-L245 PolarHBondContact O-N 3.12Å; N242-L245 WeakPolarHBondContact OD1-CA 3.41Å; N242-L245 WeakPolarHBondContact OD1-CB 3.48Å; N242-L245 PolarHBondContact OD1-N 2.83Å; R243-L245 VanDerWaalsContact C-N 3.34Å; R243-L245 PolarHBondContact O-N 2.83Å; L245-D247 VanDerWaalsContact C-N 3.34Å; L245-D247 PolarHBondContact O-N 2.99Å; L245-Y248 WeakPolarHBondContact O-CB 3.44Å; L245-Y248 PolarHBondContact O-N 3.14Å; L245-L249 HydrophobicContact CD1-CG 4.48Å; L245-L249 HydrophobicContact CG-CD1 4.19Å; L245-L249 WeakPolarHBondContact O-CG 3.24Å; L245-L249 PolarHBondContact O-N 2.84Å
246	I	98.1	Very high	95.8	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.5	-39	-178.5	-58.8	-51.7	0	0	0	110.7	A82 I84 L239 N242 R243 Y248 L249 R250	A82-I246 HydrophobicContact CB-CB 3.82Å; A82-I246 HydrophobicContact CB-CG1 3.86Å; A82-I246 HydrophobicContact CB-CG2 4.02Å; I84-I246 HydrophobicContact CB-CG2 3.85Å; I84-I246 HydrophobicContact CG2-CG2 4.05Å; L239-I246 HydrophobicContact CB-CD1 4.44Å; N242-I246 WeakPolarHBondContact O-CG1 3.2Å; N242-I246 PolarHBondContact O-N 2.86Å; N242-I246 VanDerWaalsContact O-N 3.15Å; R243-I246 PolarHBondContact O-N 3.06Å; I246-Y248 VanDerWaalsContact C-N 3.34Å; I246-L249 HydrophobicContact CD1-CD1 4.19Å; I246-L249 PolarHBondContact O-N 2.86Å; I246-R250 VanDerWaalsContact CG2-NH1 3.32Å; I246-R250 WeakPolarHBondContact O-CG 3.44Å; I246-R250 PolarHBondContact O-N 2.69Å
247	D	97.1	Very high	95.6	Very high	72 Å²	72	43.3 Å²	43.3	39%	0.385	21%	0.205	S	C	.	.	H	α-helix	trans	-65.4	-37.5	174.3	-67.7	-20.8	0	0	0	112	R243 L245 R250 S251	R243-D247 WeakPolarHBondContact CD-OD2 3.32Å; R243-D247 WeakPolarHBondContact CG-OD2 3.4Å; R243-D247 WeakPolarHBondContact O-CB 3.38Å; R243-D247 VanDerWaalsContact O-CG 3.26Å; R243-D247 PolarHBondContact O-N 3.39Å; L245-D247 VanDerWaalsContact C-N 3.34Å; L245-D247 PolarHBondContact O-N 2.99Å; D247-R250 WeakPolarHBondContact O-CB 3.4Å; D247-R250 PolarHBondContact O-N 3.13Å; D247-R250 IonicContact OD1-CZ 3.43Å; D247-R250 IonicContact OD1-NH1 3.41Å; D247-R250 PolarHBondContact OD1-NH1 3.49Å; D247-S251 PolarHBondContact O-N 2.86Å
248	Y	97.1	Very high	95.2	Very high	109 Å²	109	51.9 Å²	51.9	43%	0.427	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-49.5	169.8	171	-101.9	0	0	0	111.1	C99 K244 L245 I246 R250 S251 V252	C99-Y248 WeakPolarHBondContact O-CE1 3.3Å; C99-Y248 PolarHBondContact O-OH 3.38Å; K244-Y248 WeakPolarHBondContact O-CB 3.47Å; K244-Y248 PolarHBondContact O-N 3.18Å; L245-Y248 WeakPolarHBondContact O-CB 3.44Å; L245-Y248 PolarHBondContact O-N 3.14Å; I246-Y248 VanDerWaalsContact C-N 3.34Å; Y248-R250 VanDerWaalsContact C-N 3.28Å; Y248-R250 PolarHBondContact O-N 3.21Å; Y248-S251 PolarHBondContact O-N 3.49Å; Y248-S251 PolarHBondContact O-OG 3.44Å; Y248-V252 HydrophobicContact CD1-CG2 4.01Å; Y248-V252 HydrophobicContact CD2-CG1 4.32Å; Y248-V252 HydrophobicContact CD2-CG2 4.42Å; Y248-V252 HydrophobicContact CE1-CG2 3.55Å; Y248-V252 HydrophobicContact CE2-CG1 3.81Å; Y248-V252 HydrophobicContact CE2-CG2 4.01Å; Y248-V252 HydrophobicContact CG-CG2 4.43Å; Y248-V252 WeakPolarHBondContact O-CG2 3.36Å; Y248-V252 PolarHBondContact O-N 2.96Å; Y248-V252 VanDerWaalsContact O-N 3.16Å
249	L	96.6	Very high	94.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-34.6	177.9	-72.5	172.5	0	0	0	112.9	C99 L100 L239 L245 I246 S251 V252 S253	C99-L249 HydrophobicContact CB-CD2 3.97Å; L100-L249 HydrophobicContact CD2-CD1 4.43Å; L100-L249 HydrophobicContact CD2-CD2 3.96Å; L100-L249 HydrophobicContact CD2-CG 4.46Å; L100-L249 HydrophobicContact CG-CD2 4.39Å; L239-L249 HydrophobicContact CB-CD1 4.36Å; L239-L249 HydrophobicContact CD1-CD1 3.78Å; L245-L249 HydrophobicContact CD1-CG 4.48Å; L245-L249 HydrophobicContact CG-CD1 4.19Å; L245-L249 WeakPolarHBondContact O-CG 3.24Å; L245-L249 PolarHBondContact O-N 2.84Å; I246-L249 HydrophobicContact CD1-CD1 4.19Å; I246-L249 PolarHBondContact O-N 2.86Å; L249-S251 PolarHBondContact O-N 3.42Å; L249-V252 PolarHBondContact O-N 2.95Å; L249-S253 WeakPolarHBondContact O-CB 3.42Å; L249-S253 PolarHBondContact O-N 2.74Å
250	R	94.5	Very high	94	Very high	54 Å²	54	57.2 Å²	57.2	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-33.2	172.2	-76	177	175.7	101.8	10.8	112.3	Q59 E71 A83 I84 I246 D247 Y248	Q59-R250 PolarHBondContact NE2-O 3.25Å; E71-R250 IonicContact OE2-CZ 3.77Å; E71-R250 IonicContact OE2-NE 2.87Å; E71-R250 IonicContact OE2-NH2 2.74Å; E71-R250 PolarHBondContact OE2-NH2 3.01Å; A83-R250 PolarHBondContact O-NH2 3.37Å; I84-R250 HydrophobicContact CD1-CB 4.26Å; I84-R250 HydrophobicContact CD1-CG 3.58Å; I84-R250 HydrophobicContact CG1-CG 4.31Å; I246-R250 VanDerWaalsContact CG2-NH1 3.32Å; I246-R250 WeakPolarHBondContact O-CG 3.44Å; I246-R250 PolarHBondContact O-N 2.69Å; D247-R250 WeakPolarHBondContact O-CB 3.4Å; D247-R250 PolarHBondContact O-N 3.13Å; D247-R250 IonicContact OD1-CZ 3.43Å; D247-R250 IonicContact OD1-NH1 3.41Å; D247-R250 PolarHBondContact OD1-NH1 3.49Å; Y248-R250 VanDerWaalsContact C-N 3.28Å; Y248-R250 PolarHBondContact O-N 3.21Å
251	S	93.3	Very high	93.7	Very high	66 Å²	66	57.7 Å²	57.7	46%	0.462	28%	0.282	S	S	.	.	H	α-helix	trans	-86.6	-30.7	-178.1	61.8	0	0	0	0	114.3	Q59 D247 Y248 L249	Q59-S251 VanDerWaalsContact NE2-C 3.28Å; Q59-S251 PolarHBondContact NE2-O 2.94Å; D247-S251 PolarHBondContact O-N 2.86Å; Y248-S251 PolarHBondContact O-N 3.49Å; Y248-S251 PolarHBondContact O-OG 3.44Å; L249-S251 PolarHBondContact O-N 3.42Å
252	V	94.4	Very high	93.5	Very high	53 Å²	53	57.9 Å²	57.9	32%	0.321	28%	0.283	S	S	.	.	H	α-helix	trans	-117.2	-11.9	-171.4	-55.8	0	0	0	0	115.7	C99 Y248 L249 Y254	C99-V252 HydrophobicContact CB-CG2 3.87Å; C99-V252 PolarHBondContact SG-O 3.07Å; Y248-V252 HydrophobicContact CD1-CG2 4.01Å; Y248-V252 HydrophobicContact CD2-CG1 4.32Å; Y248-V252 HydrophobicContact CD2-CG2 4.42Å; Y248-V252 HydrophobicContact CE1-CG2 3.55Å; Y248-V252 HydrophobicContact CE2-CG1 3.81Å; Y248-V252 HydrophobicContact CE2-CG2 4.01Å; Y248-V252 HydrophobicContact CG-CG2 4.43Å; Y248-V252 WeakPolarHBondContact O-CG2 3.36Å; Y248-V252 PolarHBondContact O-N 2.96Å; Y248-V252 VanDerWaalsContact O-N 3.16Å; L249-V252 PolarHBondContact O-N 2.95Å; V252-Y254 PolarHBondContact O-N 2.84Å
253	S	93.3	Very high	93.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.276	C	S	.	.			trans	-63.4	127.2	-177.6	172.6	0	0	0	0	110.9	F86 N96 L249 N255 A256 V257	F86-S253 WeakPolarHBondContact CE1-OG 3.14Å; N96-S253 WeakPolarHBondContact OD1-CB 3.28Å; N96-S253 PolarHBondContact OD1-OG 2.81Å; L249-S253 WeakPolarHBondContact O-CB 3.42Å; L249-S253 PolarHBondContact O-N 2.74Å; S253-N255 PolarHBondContact O-N 2.94Å; S253-N255 PolarHBondContact OG-N 2.99Å; S253-A256 PolarHBondContact O-N 2.93Å; S253-A256 PolarHBondContact OG-N 2.95Å; S253-V257 WeakPolarHBondContact O-CB 3.23Å; S253-V257 VanDerWaalsContact O-CG2 3.25Å; S253-V257 WeakPolarHBondContact O-CG2 3.47Å; S253-V257 PolarHBondContact O-N 2.9Å
254	Y	91.1	Very high	93.3	Very high	120 Å²	120	51.7 Å²	51.7	47%	0.471	26%	0.259	S	S	.	.	H	α-helix	trans	-56.6	-36.2	174.3	-67.5	-79.3	0	0	0	112.2	L95 P98 V252 Y258 G259	L95-Y254 WeakPolarHBondContact O-CD2 3.45Å; P98-Y254 HydrophobicContact CB-CE2 4.46Å; V252-Y254 PolarHBondContact O-N 2.84Å; Y254-Y258 AromaticContact CD1-CD2 3.93Å; Y254-Y258 HydrophobicContact CD1-CD2 3.93Å; Y254-Y258 AromaticContact CD1-CE2 3.85Å; Y254-Y258 HydrophobicContact CD1-CE2 3.85Å; Y254-Y258 HydrophobicContact CE1-CE2 4.4Å; Y254-Y258 WeakPolarHBondContact O-CB 3.19Å; Y254-Y258 PolarHBondContact O-N 3.24Å; Y254-G259 PolarHBondContact O-N 3.27Å
255	N	88.9	Confident	93.2	Very high	16 Å²	16	44.1 Å²	44.1	9%	0.086	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-37	176.2	-74.7	-52.3	0	0	0	112.2	F86 S91 N96 S253 G259	F86-N255 HydrophobicContact CB-CB 4.46Å; F86-N255 HydrophobicContact CD1-CB 3.28Å; F86-N255 HydrophobicContact CE1-CB 3.71Å; F86-N255 HydrophobicContact CG-CB 4.1Å; S91-N255 WeakPolarHBondContact CB-OD1 3.23Å; S91-N255 PolarHBondContact O-ND2 2.8Å; S91-N255 PolarHBondContact OG-ND2 2.62Å; S91-N255 PolarHBondContact OG-OD1 2.88Å; N96-N255 PolarHBondContact ND2-ND2 3.32Å; S253-N255 PolarHBondContact O-N 2.94Å; S253-N255 PolarHBondContact OG-N 2.99Å; N255-G259 VanDerWaalsContact O-CA 3.23Å; N255-G259 WeakPolarHBondContact O-CA 3.41Å; N255-G259 PolarHBondContact O-N 3.31Å; N255-G259 VanDerWaalsContact O-N 3.16Å
256	A	88.2	Confident	93.1	Very high	4 Å²	4	45 Å²	45	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-76.2	-37.7	-179.3	0	0	0	0	0	112.2	R58 I84 S253	R58-A256 PolarHBondContact N-O 2.91Å; I84-A256 HydrophobicContact CD1-CB 4.16Å; S253-A256 PolarHBondContact O-N 2.93Å; S253-A256 PolarHBondContact OG-N 2.95Å
257	V	92.1	Very high	93.1	Very high	29 Å²	29	45 Å²	45	18%	0.176	23%	0.232	C	C	.	.	H	α-helix	trans	-79	-50.3	-176.8	179.4	0	0	0	0	111.3	S57 S253	S57-V257 WeakPolarHBondContact CB-O 3.13Å; S57-V257 PolarHBondContact OG-O 2.85Å; S253-V257 WeakPolarHBondContact O-CB 3.23Å; S253-V257 VanDerWaalsContact O-CG2 3.25Å; S253-V257 WeakPolarHBondContact O-CG2 3.47Å; S253-V257 PolarHBondContact O-N 2.9Å
258	Y	89.2	Confident	93.1	Very high	179 Å²	179	43.1 Å²	43.1	70%	0.702	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-19.1	-170.4	-53.9	-70.5	0	0	0	113.9	Y254	Y254-Y258 AromaticContact CD1-CD2 3.93Å; Y254-Y258 HydrophobicContact CD1-CD2 3.93Å; Y254-Y258 AromaticContact CD1-CE2 3.85Å; Y254-Y258 HydrophobicContact CD1-CE2 3.85Å; Y254-Y258 HydrophobicContact CE1-CE2 4.4Å; Y254-Y258 WeakPolarHBondContact O-CB 3.19Å; Y254-Y258 PolarHBondContact O-N 3.24Å
259	G	86.1	Confident	93.2	Very high	20 Å²	20	38.9 Å²	38.9	21%	0.206	21%	0.205	C	C	.	.	S	Bend	trans	-78.3	145.6	-178.4	0	0	0	0	0	112.7	S57 Y254 N255	S57-G259 WeakPolarHBondContact CA-O 3.25Å; S57-G259 WeakPolarHBondContact CB-O 3.29Å; Y254-G259 PolarHBondContact O-N 3.27Å; N255-G259 VanDerWaalsContact O-CA 3.23Å; N255-G259 WeakPolarHBondContact O-CA 3.41Å; N255-G259 PolarHBondContact O-N 3.31Å; N255-G259 VanDerWaalsContact O-N 3.16Å
260	C	86.3	Confident	93.2	Very high	95 Å²	95	38.9 Å²	38.9	64%	0.642	21%	0.205	S	C	*	.	B	Isolated β-bridge	trans	-60.9	138.4	170.6	-65.5	0	0	0	0	110.9	S87	S87-C260 PolarHBondContact OG-O 3.26Å
261	S	91.4	Very high	93.4	Very high	10 Å²	10	36.3 Å²	36.3	7%	0.07	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-56.1	147.1	172.4	64.3	0	0	0	0	111.6	S56 G62	S56-S261 PolarHBondContact O-N 3.46Å; S56-S261 PolarHBondContact O-OG 3.39Å; G62-S261 WeakPolarHBondContact O-CB 3.24Å
262	M	94.5	Very high	93.6	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.02	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-54.5	133.8	171.6	-175.6	178.5	-73	0	0	110.2	H67 L70 V85 F86 F228 I266 A267 I270	H67-M262 PolarHBondContact CE1-O 3.29Å; H67-M262 PolarHBondContact NE2-O 2.73Å; L70-M262 HydrophobicContact CD2-CE 4.49Å; L70-M262 HydrophobicContact CD2-SD 3.78Å; V85-M262 HydrophobicContact CB-CE 4.29Å; F86-M262 WeakPolarHBondContact O-CE 3.37Å; F228-M262 HydrophobicContact CD2-CE 4.01Å; F228-M262 HydrophobicContact CE2-CE 4.07Å; M262-I266 HydrophobicContact CG-CB 4.1Å; M262-I266 HydrophobicContact CG-CG2 3.82Å; M262-I266 HydrophobicContact SD-CG2 4.04Å; M262-A267 HydrophobicContact CG-CB 4.37Å; M262-A267 HydrophobicContact SD-CB 3.9Å; M262-I270 HydrophobicContact CE-CD1 3.93Å; M262-I270 HydrophobicContact SD-CD1 3.61Å
263	P	95.3	Very high	93.8	Very high	43 Å²	43	31 Å²	31	28%	0.279	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-56.4	139.6	172.2	-32.4	40	0	0	0	112.5	V52 P265 I266 A267	V52-P263 VanDerWaalsContact O-CB 3.24Å; V52-P263 WeakPolarHBondContact O-CB 3.31Å; P263-P265 HydrophobicContact CB-CG 4.26Å; P263-I266 HydrophobicContact CB-CB 4.1Å; P263-I266 HydrophobicContact CB-CG1 3.76Å; P263-I266 HydrophobicContact CG-CG1 4.1Å; P263-I266 WeakPolarHBondContact O-CB 3.35Å; P263-I266 PolarHBondContact O-N 2.66Å; P263-A267 PolarHBondContact O-N 2.74Å
264	A	95.7	Very high	94	Very high	1 Å²	1	31 Å²	31	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-53.2	-47.5	176.5	0	0	0	0	0	114	F50 L64 L66 I266 A267 Q268	F50-A264 HydrophobicContact CB-CB 3.49Å; F50-A264 VanDerWaalsContact CB-CB 3.49Å; F50-A264 HydrophobicContact CD2-CB 4.36Å; F50-A264 HydrophobicContact CG-CB 4.15Å; L64-A264 HydrophobicContact CD1-CB 3.87Å; L66-A264 HydrophobicContact CD2-CB 4.04Å; L66-A264 WeakPolarHBondContact CD2-O 3.25Å; A264-I266 VanDerWaalsContact C-N 3.26Å; A264-I266 PolarHBondContact O-N 3.43Å; A264-A267 PolarHBondContact O-N 3.28Å; A264-Q268 PolarHBondContact O-N 3.24Å
265	P	96.4	Very high	94.4	Very high	16 Å²	16	28.9 Å²	28.9	10%	0.104	15%	0.151	C	C	.	.	H	α-helix	trans	-59.2	-36.1	175.7	17.3	-30.7	0	0	0	113.7	T43 T47 G51 P263 Q268 Q269	T43-P265 HydrophobicContact CG2-CB 3.54Å; T47-P265 WeakPolarHBondContact OG1-CB 3.35Å; G51-P265 WeakPolarHBondContact O-CD 3.42Å; P263-P265 HydrophobicContact CB-CG 4.26Å; P265-Q268 PolarHBondContact O-N 3.43Å; P265-Q269 PolarHBondContact O-N 3.07Å
266	I	96.6	Very high	94.8	Very high	55 Å²	55	28.3 Å²	28.3	28%	0.282	15%	0.148	S	C	.	.	H	α-helix	trans	-68	-42.9	178.1	-62	-61.1	0	0	0	110.4	S234 S235 M262 P263 A264 Q268 Q269 I270	S234-I266 WeakPolarHBondContact OG-CG2 3.49Å; S234-I266 PolarHBondContact OG-O 2.78Å; S235-I266 VanDerWaalsContact O-CG2 3.31Å; S235-I266 WeakPolarHBondContact O-CG2 3.43Å; M262-I266 HydrophobicContact CG-CB 4.1Å; M262-I266 HydrophobicContact CG-CG2 3.82Å; M262-I266 HydrophobicContact SD-CG2 4.04Å; P263-I266 HydrophobicContact CB-CB 4.1Å; P263-I266 HydrophobicContact CB-CG1 3.76Å; P263-I266 HydrophobicContact CG-CG1 4.1Å; P263-I266 WeakPolarHBondContact O-CB 3.35Å; P263-I266 PolarHBondContact O-N 2.66Å; A264-I266 VanDerWaalsContact C-N 3.26Å; A264-I266 PolarHBondContact O-N 3.43Å; I266-Q268 VanDerWaalsContact C-N 3.34Å; I266-Q269 PolarHBondContact O-N 3.16Å; I266-I270 HydrophobicContact CG2-CD1 4.38Å; I266-I270 WeakPolarHBondContact O-CD1 3.36Å; I266-I270 VanDerWaalsContact O-CG1 3.28Å; I266-I270 WeakPolarHBondContact O-CG1 3.39Å; I266-I270 PolarHBondContact O-N 3.03Å
267	A	97.3	Very high	95.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-40	174.3	0	0	0	0	0	112	L66 L70 M262 P263 A264 I270 I271	L66-A267 HydrophobicContact CD2-CB 3.79Å; L66-A267 HydrophobicContact CG-CB 4.01Å; L70-A267 HydrophobicContact CD2-CB 3.97Å; M262-A267 HydrophobicContact CG-CB 4.37Å; M262-A267 HydrophobicContact SD-CB 3.9Å; P263-A267 PolarHBondContact O-N 2.74Å; A264-A267 PolarHBondContact O-N 3.28Å; A267-I270 PolarHBondContact O-N 3.15Å; A267-I271 WeakPolarHBondContact O-CG1 3.17Å; A267-I271 PolarHBondContact O-N 3.11Å
268	Q	97.8	Very high	95.5	Very high	31 Å²	31	29.2 Å²	29.2	15%	0.145	15%	0.151	C	C	.	.	H	α-helix	trans	-65	-44.2	178.3	-174.6	60.4	59.2	0	0	112.4	A42 A46 L66 A264 P265 I266 I270 I271 S272	A42-Q268 HydrophobicContact CB-CG 3.92Å; A42-Q268 WeakPolarHBondContact O-CG 3.46Å; A46-Q268 HydrophobicContact CB-CB 3.6Å; A46-Q268 HydrophobicContact CB-CG 3.69Å; L66-Q268 HydrophobicContact CD2-CB 4.17Å; A264-Q268 PolarHBondContact O-N 3.24Å; P265-Q268 PolarHBondContact O-N 3.43Å; I266-Q268 VanDerWaalsContact C-N 3.34Å; Q268-I270 PolarHBondContact O-N 3.14Å; Q268-I271 PolarHBondContact O-N 3.29Å; Q268-S272 PolarHBondContact NE2-OG 3.22Å; Q268-S272 VanDerWaalsContact NE2-OG 3.15Å; Q268-S272 PolarHBondContact O-N 3.35Å; Q268-S272 PolarHBondContact O-OG 3.12Å
269	Q	97.7	Very high	95.9	Very high	21 Å²	21	21.9 Å²	21.9	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-53.1	-43.7	173.6	175.4	69.5	10.3	0	0	111	F32 C39 T43 G233 P265 I266 S273	F32-Q269 PolarHBondContact O-NE2 2.95Å; C39-Q269 PolarHBondContact O-OE1 2.84Å; T43-Q269 PolarHBondContact OG1-OE1 3.42Å; G233-Q269 PolarHBondContact O-NE2 2.77Å; P265-Q269 PolarHBondContact O-N 3.07Å; I266-Q269 PolarHBondContact O-N 3.16Å; Q269-S273 WeakPolarHBondContact O-CB 3.49Å; Q269-S273 PolarHBondContact O-N 3.48Å; Q269-S273 PolarHBondContact O-OG 3.25Å
270	I	98	Very high	96.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.2	-48.9	179.5	-58.9	158.7	0	0	0	110.6	L70 F228 S234 M262 I266 A267 Q268 S272 S273 I274	L70-I270 HydrophobicContact CD1-CB 3.88Å; L70-I270 HydrophobicContact CD1-CG2 3.38Å; L70-I270 HydrophobicContact CD2-CB 4.41Å; L70-I270 HydrophobicContact CD2-CD1 4.02Å; F228-I270 HydrophobicContact CB-CD1 3.77Å; F228-I270 HydrophobicContact CB-CG1 3.87Å; F228-I270 HydrophobicContact CD1-CB 4.43Å; F228-I270 HydrophobicContact CD1-CD1 4.07Å; F228-I270 HydrophobicContact CD1-CG1 4.07Å; F228-I270 HydrophobicContact CD1-CG2 3.44Å; F228-I270 VanDerWaalsContact CD1-CG2 3.44Å; F228-I270 HydrophobicContact CD2-CD1 3.41Å; F228-I270 VanDerWaalsContact CD2-CD1 3.41Å; F228-I270 HydrophobicContact CD2-CG1 4.27Å; F228-I270 HydrophobicContact CE1-CG2 3.5Å; F228-I270 VanDerWaalsContact CE1-CG2 3.5Å; F228-I270 HydrophobicContact CE2-CD1 3.95Å; F228-I270 HydrophobicContact CG-CD1 3.47Å; F228-I270 VanDerWaalsContact CG-CD1 3.47Å; F228-I270 HydrophobicContact CG-CG1 3.81Å; F228-I270 HydrophobicContact CG-CG2 4.03Å; F228-I270 HydrophobicContact CZ-CD1 4.48Å; F228-I270 HydrophobicContact CZ-CG2 4.13Å; S234-I270 VanDerWaalsContact CB-CG1 3.44Å; S234-I270 WeakPolarHBondContact OG-CG1 3.23Å; M262-I270 HydrophobicContact CE-CD1 3.93Å; M262-I270 HydrophobicContact SD-CD1 3.61Å; I266-I270 HydrophobicContact CG2-CD1 4.38Å; I266-I270 WeakPolarHBondContact O-CD1 3.36Å; I266-I270 VanDerWaalsContact O-CG1 3.28Å; I266-I270 WeakPolarHBondContact O-CG1 3.39Å; I266-I270 PolarHBondContact O-N 3.03Å; A267-I270 PolarHBondContact O-N 3.15Å; Q268-I270 PolarHBondContact O-N 3.14Å; I270-S272 VanDerWaalsContact C-N 3.33Å; I270-S272 PolarHBondContact O-N 3.33Å; I270-S273 PolarHBondContact O-N 3.45Å; I270-S273 PolarHBondContact O-OG 3.29Å; I270-I274 HydrophobicContact CG2-CD1 3.63Å; I270-I274 HydrophobicContact CG2-CG1 4.19Å; I270-I274 WeakPolarHBondContact O-CG1 3.34Å; I270-I274 PolarHBondContact O-N 3.11Å
271	I	98.4	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-54.8	-50.7	178.8	-72.3	163.5	0	0	0	110.5	L66 E69 L70 L73 A267 Q268 S273 I274 R275	L66-I271 HydrophobicContact CD1-CD1 3.32Å; L66-I271 HydrophobicContact CG-CD1 3.7Å; E69-I271 HydrophobicContact CB-CD1 4.37Å; E69-I271 HydrophobicContact CG-CD1 4.09Å; L70-I271 HydrophobicContact CB-CD1 4.01Å; L70-I271 HydrophobicContact CB-CG1 3.91Å; L70-I271 HydrophobicContact CD1-CG1 4.02Å; L73-I271 HydrophobicContact CD2-CB 4.35Å; L73-I271 HydrophobicContact CD2-CG1 4.4Å; L73-I271 HydrophobicContact CD2-CG2 4.11Å; A267-I271 WeakPolarHBondContact O-CG1 3.17Å; A267-I271 PolarHBondContact O-N 3.11Å; Q268-I271 PolarHBondContact O-N 3.29Å; I271-S273 PolarHBondContact O-N 3.25Å; I271-I274 PolarHBondContact O-N 3.29Å; I271-R275 HydrophobicContact CG2-CG 4.41Å; I271-R275 WeakPolarHBondContact O-CB 3.43Å; I271-R275 WeakPolarHBondContact O-CG 3.32Å; I271-R275 PolarHBondContact O-N 2.99Å
272	S	98	Very high	97	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-61.6	-44	179.6	-63.9	0	0	0	0	111.7	A42 Q268 I270 R275 I276	A42-S272 WeakPolarHBondContact CB-OG 3.41Å; Q268-S272 PolarHBondContact NE2-OG 3.22Å; Q268-S272 VanDerWaalsContact NE2-OG 3.15Å; Q268-S272 PolarHBondContact O-N 3.35Å; Q268-S272 PolarHBondContact O-OG 3.12Å; I270-S272 VanDerWaalsContact C-N 3.33Å; I270-S272 PolarHBondContact O-N 3.33Å; S272-R275 PolarHBondContact O-N 3.36Å; S272-I276 WeakPolarHBondContact O-CD1 3.48Å; S272-I276 VanDerWaalsContact O-CG1 3.24Å; S272-I276 WeakPolarHBondContact O-CG1 3.34Å; S272-I276 PolarHBondContact O-N 3.07Å
273	S	97.8	Very high	97.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.3	-45.9	177.6	70.4	0	0	0	0	112.2	F232 Q269 I270 I271 I276 I277	F232-S273 WeakPolarHBondContact CD1-OG 3.38Å; Q269-S273 WeakPolarHBondContact O-CB 3.49Å; Q269-S273 PolarHBondContact O-N 3.48Å; Q269-S273 PolarHBondContact O-OG 3.25Å; I270-S273 PolarHBondContact O-N 3.45Å; I270-S273 PolarHBondContact O-OG 3.29Å; I271-S273 PolarHBondContact O-N 3.25Å; S273-I276 PolarHBondContact O-N 3.32Å; S273-I277 WeakPolarHBondContact O-CD1 3.42Å; S273-I277 WeakPolarHBondContact O-CG1 3.24Å; S273-I277 PolarHBondContact O-N 3.09Å
274	I	98.1	Very high	97.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-65.1	-43.4	178.8	-66.2	172.8	0	0	0	110.7	L70 L73 V74 F77 F228 F232 I270 I271 I276 I277 M278	L70-I274 HydrophobicContact CD1-CD1 4.33Å; L73-I274 HydrophobicContact CD1-CG2 4.18Å; L73-I274 HydrophobicContact CD2-CB 3.8Å; L73-I274 HydrophobicContact CD2-CG2 3.76Å; L73-I274 HydrophobicContact CG-CB 4.24Å; L73-I274 HydrophobicContact CG-CG2 3.64Å; V74-I274 HydrophobicContact CG2-CD1 3.79Å; F77-I274 HydrophobicContact CB-CG2 3.91Å; F77-I274 HydrophobicContact CD2-CG2 4.06Å; F77-I274 HydrophobicContact CG-CG2 3.92Å; F228-I274 HydrophobicContact CE1-CD1 4.48Å; F232-I274 HydrophobicContact CD1-CG1 3.8Å; F232-I274 HydrophobicContact CE1-CD1 4.33Å; F232-I274 HydrophobicContact CE1-CG1 3.56Å; F232-I274 HydrophobicContact CZ-CG1 4.41Å; I270-I274 HydrophobicContact CG2-CD1 3.63Å; I270-I274 HydrophobicContact CG2-CG1 4.19Å; I270-I274 WeakPolarHBondContact O-CG1 3.34Å; I270-I274 PolarHBondContact O-N 3.11Å; I271-I274 PolarHBondContact O-N 3.29Å; I274-I276 VanDerWaalsContact C-N 3.33Å; I274-I276 PolarHBondContact O-N 3.46Å; I274-I277 PolarHBondContact O-N 3.06Å; I274-M278 HydrophobicContact CG2-CG 4.12Å; I274-M278 HydrophobicContact CG2-SD 3.57Å; I274-M278 VanDerWaalsContact CG2-SD 3.57Å; I274-M278 WeakPolarHBondContact O-CB 3.27Å; I274-M278 VanDerWaalsContact O-CG 3.25Å; I274-M278 WeakPolarHBondContact O-CG 3.36Å; I274-M278 PolarHBondContact O-N 3.35Å
275	R	98.2	Very high	97.1	Very high	75 Å²	75	33.8 Å²	33.8	28%	0.283	19%	0.187	S	C	.	.	H	α-helix	trans	-62.5	-38.1	178	-76.1	-173.3	174.7	173.1	0.7	112.9	E69 L73 I271 S272 M278 G279 K280 D281	E69-R275 IonicContact OE1-CZ 3.65Å; E69-R275 IonicContact OE1-NH1 3.66Å; E69-R275 IonicContact OE1-NH2 2.78Å; E69-R275 PolarHBondContact OE1-NH2 3.44Å; L73-R275 HydrophobicContact CD1-CG 4.32Å; L73-R275 HydrophobicContact CD2-CG 3.89Å; I271-R275 HydrophobicContact CG2-CG 4.41Å; I271-R275 WeakPolarHBondContact O-CB 3.43Å; I271-R275 WeakPolarHBondContact O-CG 3.32Å; I271-R275 PolarHBondContact O-N 2.99Å; S272-R275 PolarHBondContact O-N 3.36Å; R275-M278 PolarHBondContact O-N 3.44Å; R275-G279 PolarHBondContact O-N 3.46Å; R275-G279 VanDerWaalsContact O-N 3.11Å; R275-K280 HydrophobicContact CB-CB 4.13Å; R275-K280 HydrophobicContact CG-CB 4.29Å; R275-K280 HydrophobicContact CG-CD 4.43Å; R275-K280 PolarHBondContact O-N 3.31Å; R275-D281 HydrophobicContact CB-CB 4.2Å; R275-D281 VanDerWaalsContact CB-CG 3.48Å; R275-D281 WeakPolarHBondContact CB-OD2 3.38Å; R275-D281 WeakPolarHBondContact CD-OD1 3.49Å; R275-D281 WeakPolarHBondContact CD-OD2 3.48Å; R275-D281 PolarHBondContact O-N 2.91Å
276	I	97.8	Very high	97.1	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-66.9	-43.4	174.1	-67.3	165.9	0	0	0	110.5	F32 P38 S272 S273 I274 M278 G279 D281 I282 E285 G286	F32-I276 HydrophobicContact CE1-CB 4.06Å; F32-I276 HydrophobicContact CE1-CD1 3.98Å; F32-I276 HydrophobicContact CE1-CG2 3.85Å; F32-I276 HydrophobicContact CZ-CB 4.01Å; F32-I276 HydrophobicContact CZ-CG2 3.74Å; P38-I276 HydrophobicContact CB-CD1 4.3Å; P38-I276 HydrophobicContact CG-CD1 3.63Å; S272-I276 WeakPolarHBondContact O-CD1 3.48Å; S272-I276 VanDerWaalsContact O-CG1 3.24Å; S272-I276 WeakPolarHBondContact O-CG1 3.34Å; S272-I276 PolarHBondContact O-N 3.07Å; S273-I276 PolarHBondContact O-N 3.32Å; I274-I276 VanDerWaalsContact C-N 3.33Å; I274-I276 PolarHBondContact O-N 3.46Å; I276-M278 VanDerWaalsContact C-N 3.29Å; I276-M278 PolarHBondContact O-N 3Å; I276-G279 PolarHBondContact O-N 3.24Å; I276-D281 HydrophobicContact CG1-CB 4.2Å; I276-I282 HydrophobicContact CD1-CD1 4.26Å; I276-I282 HydrophobicContact CG1-CD1 4.24Å; I276-I282 HydrophobicContact CG1-CG1 4.3Å; I276-E285 HydrophobicContact CG2-CB 3.97Å; I276-E285 HydrophobicContact CG2-CG 3.63Å; I276-G286 PolarHBondContact O-N 3Å
277	I	97.6	Very high	97.1	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.051	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-43.1	176.5	-65.4	162.7	0	0	0	110.7	L30 F32 F77 F232 S273 I274 G279	L30-I277 HydrophobicContact CD1-CD1 3.47Å; L30-I277 VanDerWaalsContact CD1-CD1 3.47Å; L30-I277 HydrophobicContact CD1-CG1 3.73Å; F32-I277 HydrophobicContact CD2-CD1 4.43Å; F32-I277 HydrophobicContact CE2-CD1 3.76Å; F32-I277 HydrophobicContact CE2-CG1 3.54Å; F32-I277 HydrophobicContact CZ-CG1 3.95Å; F77-I277 HydrophobicContact CE2-CB 4.42Å; F77-I277 HydrophobicContact CE2-CG2 3.64Å; F77-I277 HydrophobicContact CZ-CG2 3.83Å; F232-I277 HydrophobicContact CD1-CD1 3.86Å; F232-I277 HydrophobicContact CE1-CD1 3.69Å; S273-I277 WeakPolarHBondContact O-CD1 3.42Å; S273-I277 WeakPolarHBondContact O-CG1 3.24Å; S273-I277 PolarHBondContact O-N 3.09Å; I274-I277 PolarHBondContact O-N 3.06Å; I277-G279 PolarHBondContact O-N 3.02Å
278	M	97.5	Very high	97.1	Very high	43 Å²	43	43.4 Å²	43.4	21%	0.212	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-4.7	178.2	-65.7	176.8	81.4	0	0	114	L73 E76 F77 I274 R275 I276 K280	L73-M278 HydrophobicContact CD1-SD 3.75Å; L73-M278 HydrophobicContact CG-SD 4.49Å; E76-M278 HydrophobicContact CB-CE 4.48Å; E76-M278 HydrophobicContact CG-CE 3.85Å; E76-M278 VanDerWaalsContact OE1-CE 3.24Å; E76-M278 WeakPolarHBondContact OE1-CE 3.44Å; F77-M278 HydrophobicContact CB-SD 4.16Å; F77-M278 HydrophobicContact CD2-CG 3.6Å; F77-M278 HydrophobicContact CD2-SD 3.97Å; F77-M278 HydrophobicContact CE2-CG 4.13Å; I274-M278 HydrophobicContact CG2-CG 4.12Å; I274-M278 HydrophobicContact CG2-SD 3.57Å; I274-M278 VanDerWaalsContact CG2-SD 3.57Å; I274-M278 WeakPolarHBondContact O-CB 3.27Å; I274-M278 VanDerWaalsContact O-CG 3.25Å; I274-M278 WeakPolarHBondContact O-CG 3.36Å; I274-M278 PolarHBondContact O-N 3.35Å; R275-M278 PolarHBondContact O-N 3.44Å; I276-M278 VanDerWaalsContact C-N 3.29Å; I276-M278 PolarHBondContact O-N 3Å; M278-K280 VanDerWaalsContact C-N 3.25Å; M278-K280 HydrophobicContact CB-CD 4.47Å; M278-K280 HydrophobicContact CB-CG 4.07Å; M278-K280 PolarHBondContact O-N 3.4Å; M278-K280 HydrophobicContact SD-CD 4.48Å
279	G	96.9	Very high	97.1	Very high	24 Å²	24	44.1 Å²	44.1	25%	0.247	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	15.9	-176.1	0	0	0	0	0	114.9	R275 I276 I277	R275-G279 PolarHBondContact O-N 3.46Å; R275-G279 VanDerWaalsContact O-N 3.11Å; I276-G279 PolarHBondContact O-N 3.24Å; I277-G279 PolarHBondContact O-N 3.02Å
280	K	96.9	Very high	97.1	Very high	96 Å²	96	43.8 Å²	43.8	42%	0.417	23%	0.225	S	C	.	.	S	Bend	trans	-73.8	-40.4	178.9	-68.6	-173.6	175.5	-173.6	0	112.8	L73 E76 R275 M278	L73-K280 HydrophobicContact CD1-CD 4.41Å; E76-K280 VanDerWaalsContact OE1-CE 3.29Å; E76-K280 WeakPolarHBondContact OE1-CE 3.28Å; E76-K280 IonicContact OE1-NZ 3.65Å; E76-K280 PolarHBondContact OE1-NZ 3.25Å; E76-K280 IonicContact OE2-NZ 2.89Å; E76-K280 PolarHBondContact OE2-NZ 2.99Å; R275-K280 HydrophobicContact CB-CB 4.13Å; R275-K280 HydrophobicContact CG-CB 4.29Å; R275-K280 HydrophobicContact CG-CD 4.43Å; R275-K280 PolarHBondContact O-N 3.31Å; M278-K280 VanDerWaalsContact C-N 3.25Å; M278-K280 HydrophobicContact CB-CD 4.47Å; M278-K280 HydrophobicContact CB-CG 4.07Å; M278-K280 PolarHBondContact O-N 3.4Å; M278-K280 HydrophobicContact SD-CD 4.48Å
281	D	95.1	Very high	97	Very high	76 Å²	76	50.3 Å²	50.3	41%	0.406	25%	0.253	S	S	.	.	S	Bend	trans	-95.7	-42.2	-179.6	-71.9	-9.8	0	0	0	111.8	R275 I276	R275-D281 HydrophobicContact CB-CB 4.2Å; R275-D281 VanDerWaalsContact CB-CG 3.48Å; R275-D281 WeakPolarHBondContact CB-OD2 3.38Å; R275-D281 WeakPolarHBondContact CD-OD1 3.49Å; R275-D281 WeakPolarHBondContact CD-OD2 3.48Å; R275-D281 PolarHBondContact O-N 2.91Å; I276-D281 HydrophobicContact CG1-CB 4.2Å
282	I	95.7	Very high	97	Very high	69 Å²	69	51.7 Å²	51.7	35%	0.354	26%	0.263	S	S	.	.	S	Bend	trans	-133.3	93.7	179.5	-52.8	177.7	0	0	0	108.2	P38 I276 G284 E285	P38-I282 HydrophobicContact CB-CD1 4.35Å; P38-I282 HydrophobicContact CG-CD1 3.85Å; I276-I282 HydrophobicContact CD1-CD1 4.26Å; I276-I282 HydrophobicContact CG1-CD1 4.24Å; I276-I282 HydrophobicContact CG1-CG1 4.3Å; I282-G284 PolarHBondContact O-N 3.36Å; I282-E285 HydrophobicContact CB-CB 4.03Å; I282-E285 HydrophobicContact CG2-CB 3.65Å; I282-E285 HydrophobicContact CG2-CG 4.41Å; I282-E285 PolarHBondContact O-N 2.9Å
283	P	95.4	Very high	97	Very high	110 Å²	110	51.4 Å²	51.4	71%	0.714	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	135.8	-179.9	-27.3	35.1	0	0	0	112.5	E285	P283-E285 PolarHBondContact O-N 3.2Å
284	G	95.7	Very high	97	Very high	38 Å²	38	52.8 Å²	52.8	39%	0.392	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-16.2	178.3	0	0	0	0	0	116.2	I282 E287 R288	I282-G284 PolarHBondContact O-N 3.36Å; G284-E287 PolarHBondContact O-N 2.85Å; G284-R288 WeakPolarHBondContact O-CB 3.37Å; G284-R288 PolarHBondContact O-N 3.24Å
285	E	96.1	Very high	96.9	Very high	34 Å²	34	57.2 Å²	57.2	16%	0.159	29%	0.293	C	S	.	.	H	α-helix	trans	-69.3	-38.6	-178.7	177	60.7	-174.5	0	0	112.4	I276 I282 P283 R288 R289	I276-E285 HydrophobicContact CG2-CB 3.97Å; I276-E285 HydrophobicContact CG2-CG 3.63Å; I282-E285 HydrophobicContact CB-CB 4.03Å; I282-E285 HydrophobicContact CG2-CB 3.65Å; I282-E285 HydrophobicContact CG2-CG 4.41Å; I282-E285 PolarHBondContact O-N 2.9Å; P283-E285 PolarHBondContact O-N 3.2Å; E285-R288 PolarHBondContact O-N 3.32Å; E285-R288 IonicContact OE1-CZ 3.45Å; E285-R288 IonicContact OE1-NE 2.76Å; E285-R288 IonicContact OE1-NH2 3.28Å; E285-R288 PolarHBondContact OE1-NH2 3.5Å; E285-R288 IonicContact OE2-CZ 3.33Å; E285-R288 IonicContact OE2-NE 3.77Å; E285-R288 PolarHBondContact OE2-NE 2.84Å; E285-R288 IonicContact OE2-NH2 2.61Å; E285-R288 PolarHBondContact OE2-NH2 3.02Å; E285-R289 WeakPolarHBondContact O-CG 3.29Å; E285-R289 PolarHBondContact O-N 3.06Å; E285-R289 IonicContact OE1-CZ 3.61Å; E285-R289 IonicContact OE1-NE 3.29Å; E285-R289 PolarHBondContact OE1-NE 2.96Å; E285-R289 IonicContact OE1-NH2 2.84Å; E285-R289 PolarHBondContact OE1-NH2 3.26Å
286	G	96.4	Very high	96.9	Very high	2 Å²	2	54.1 Å²	54.1	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-58.8	-50.5	172.5	0	0	0	0	0	112.7	I276 R288 R289 L290	I276-G286 PolarHBondContact O-N 3Å; G286-R288 VanDerWaalsContact C-N 3.34Å; G286-R288 PolarHBondContact O-N 3.29Å; G286-R289 PolarHBondContact O-N 3.29Å; G286-L290 WeakPolarHBondContact O-CG 3.08Å; G286-L290 PolarHBondContact O-N 3.29Å
287	E	96.7	Very high	96.8	Very high	139 Å²	139	54 Å²	54	65%	0.65	28%	0.281	S	S	*	.	H	α-helix	trans	-60	-42.9	177.6	-63.4	177.9	-178.6	0	0	111.7	G284 R289 L290 K291	G284-E287 PolarHBondContact O-N 2.85Å; E287-R289 PolarHBondContact O-N 3.46Å; E287-L290 PolarHBondContact O-N 3.01Å; E287-K291 VanDerWaalsContact O-CB 3.28Å; E287-K291 WeakPolarHBondContact O-CB 3.11Å; E287-K291 PolarHBondContact O-N 3.31Å
288	R	97.3	Very high	96.8	Very high	132 Å²	132	57.5 Å²	57.5	50%	0.498	29%	0.294	S	S	.	.	H	α-helix	trans	-59.3	-47.2	176.2	-170.7	-168.8	71.3	80.9	1.1	111.5	G284 E285 G286 C292	G284-R288 WeakPolarHBondContact O-CB 3.37Å; G284-R288 PolarHBondContact O-N 3.24Å; E285-R288 PolarHBondContact O-N 3.32Å; E285-R288 IonicContact OE1-CZ 3.45Å; E285-R288 IonicContact OE1-NE 2.76Å; E285-R288 IonicContact OE1-NH2 3.28Å; E285-R288 PolarHBondContact OE1-NH2 3.5Å; E285-R288 IonicContact OE2-CZ 3.33Å; E285-R288 IonicContact OE2-NE 3.77Å; E285-R288 PolarHBondContact OE2-NE 2.84Å; E285-R288 IonicContact OE2-NH2 2.61Å; E285-R288 PolarHBondContact OE2-NH2 3.02Å; G286-R288 VanDerWaalsContact C-N 3.34Å; G286-R288 PolarHBondContact O-N 3.29Å; R288-C292 VanDerWaalsContact O-CB 3.24Å; R288-C292 WeakPolarHBondContact O-CB 3.41Å; R288-C292 PolarHBondContact O-N 3Å
289	R	97.3	Very high	96.8	Very high	47 Å²	47	55.5 Å²	55.5	18%	0.177	28%	0.284	C	S	.	.	H	α-helix	trans	-64.3	-45.2	179.4	-72.4	176.9	-178.2	-102.3	-7.1	111.8	L30 G31 E285 G286 E287 C292 L293 S365	L30-R289 HydrophobicContact CD2-CB 3.98Å; L30-R289 WeakPolarHBondContact O-CD 3.32Å; L30-R289 PolarHBondContact O-NH1 3.22Å; G31-R289 PolarHBondContact O-NH1 3.3Å; E285-R289 WeakPolarHBondContact O-CG 3.29Å; E285-R289 PolarHBondContact O-N 3.06Å; E285-R289 IonicContact OE1-CZ 3.61Å; E285-R289 IonicContact OE1-NE 3.29Å; E285-R289 PolarHBondContact OE1-NE 2.96Å; E285-R289 IonicContact OE1-NH2 2.84Å; E285-R289 PolarHBondContact OE1-NH2 3.26Å; G286-R289 PolarHBondContact O-N 3.29Å; E287-R289 PolarHBondContact O-N 3.46Å; R289-C292 PolarHBondContact O-N 3.25Å; R289-L293 WeakPolarHBondContact O-CB 3.38Å; R289-L293 PolarHBondContact O-N 3.1Å; R289-S365 VanDerWaalsContact O-CB 3.22Å; R289-S365 WeakPolarHBondContact O-CB 3.35Å
290	L	97.8	Very high	96.9	Very high	14 Å²	14	54.4 Å²	54.4	7%	0.073	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-45.4	178.1	-73.8	164.9	0	0	0	112	L30 G201 G286 E287 L293 A294	L30-L290 HydrophobicContact CD2-CD2 3.92Å; L30-L290 HydrophobicContact CD2-CG 4.21Å; G201-L290 WeakPolarHBondContact O-CD2 3.18Å; G286-L290 WeakPolarHBondContact O-CG 3.08Å; G286-L290 PolarHBondContact O-N 3.29Å; E287-L290 PolarHBondContact O-N 3.01Å; L290-L293 PolarHBondContact O-N 3.03Å; L290-A294 PolarHBondContact O-N 3.19Å
291	K	97.1	Very high	96.9	Very high	136 Å²	136	50 Å²	50	59%	0.591	25%	0.253	S	S	*	.	H	α-helix	trans	-60.8	-48.2	175.9	-178	179.6	174.3	-176.1	0	111.5	E287 L293 A294 E295	E287-K291 VanDerWaalsContact O-CB 3.28Å; E287-K291 WeakPolarHBondContact O-CB 3.11Å; E287-K291 PolarHBondContact O-N 3.31Å; K291-L293 PolarHBondContact O-N 2.98Å; K291-A294 PolarHBondContact O-N 2.79Å; K291-E295 WeakPolarHBondContact CE-OE1 3.37Å; K291-E295 WeakPolarHBondContact O-CG 3.45Å; K291-E295 PolarHBondContact O-N 3.12Å
292	C	97.2	Very high	97	Very high	30 Å²	30	46.4 Å²	46.4	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-42.4	178.9	-175.9	0	0	0	0	111.8	R288 R289 E295 N296 S365	R288-C292 VanDerWaalsContact O-CB 3.24Å; R288-C292 WeakPolarHBondContact O-CB 3.41Å; R288-C292 PolarHBondContact O-N 3Å; R289-C292 PolarHBondContact O-N 3.25Å; C292-E295 PolarHBondContact O-N 2.88Å; C292-N296 VanDerWaalsContact O-CB 3.29Å; C292-N296 WeakPolarHBondContact O-CB 3.43Å; C292-N296 PolarHBondContact O-N 2.77Å; C292-S365 PolarHBondContact SG-O 2.79Å
293	L	97.9	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-49.9	173.9	177.2	60.6	0	0	0	111.5	L30 A202 R289 L290 K291 E295 N296 I297 I363	L30-L293 HydrophobicContact CD2-CD2 4.15Å; A202-L293 HydrophobicContact CB-CD2 4.03Å; R289-L293 WeakPolarHBondContact O-CB 3.38Å; R289-L293 PolarHBondContact O-N 3.1Å; L290-L293 PolarHBondContact O-N 3.03Å; K291-L293 PolarHBondContact O-N 2.98Å; L293-E295 VanDerWaalsContact C-N 3.33Å; L293-E295 PolarHBondContact O-N 3.32Å; L293-N296 PolarHBondContact O-N 2.9Å; L293-I297 HydrophobicContact CD1-CD1 3.72Å; L293-I297 HydrophobicContact CD1-CG1 4Å; L293-I297 HydrophobicContact CD2-CD1 4.48Å; L293-I297 HydrophobicContact CG-CD1 3.68Å; L293-I297 HydrophobicContact CG-CG1 4.38Å; L293-I297 WeakPolarHBondContact O-CB 3.18Å; L293-I297 WeakPolarHBondContact O-CD1 3.34Å; L293-I297 WeakPolarHBondContact O-CG1 3.41Å; L293-I297 PolarHBondContact O-N 3.44Å; L293-I363 HydrophobicContact CD1-CG2 4.48Å; L293-I363 VanDerWaalsContact CD1-O 3.32Å; L293-I363 WeakPolarHBondContact CD1-O 3.2Å
294	A	97.5	Very high	97.2	Very high	28 Å²	28	38.8 Å²	38.8	23%	0.231	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-40.8	179.9	0	0	0	0	0	112.6	L290 K291 R298	L290-A294 PolarHBondContact O-N 3.19Å; K291-A294 PolarHBondContact O-N 2.79Å; A294-R298 WeakPolarHBondContact O-CB 3.39Å; A294-R298 WeakPolarHBondContact O-CD 3.44Å; A294-R298 VanDerWaalsContact O-CG 3.26Å; A294-R298 WeakPolarHBondContact O-CG 3.4Å; A294-R298 PolarHBondContact O-N 3.36Å; A294-R298 VanDerWaalsContact O-N 3.13Å
295	E	96.6	Very high	97.2	Very high	95 Å²	95	38.3 Å²	38.3	44%	0.444	17%	0.173	S	C	.	.	H	α-helix	trans	-65.2	-45	175.7	-72.6	173	176.2	0	0	111.7	K291 C292 L293 R298 Y299	K291-E295 WeakPolarHBondContact CE-OE1 3.37Å; K291-E295 WeakPolarHBondContact O-CG 3.45Å; K291-E295 PolarHBondContact O-N 3.12Å; C292-E295 PolarHBondContact O-N 2.88Å; L293-E295 VanDerWaalsContact C-N 3.33Å; L293-E295 PolarHBondContact O-N 3.32Å; E295-R298 PolarHBondContact O-N 2.9Å; E295-Y299 VanDerWaalsContact O-CB 3.25Å; E295-Y299 WeakPolarHBondContact O-CB 3.34Å; E295-Y299 PolarHBondContact O-N 2.98Å
296	N	97.5	Very high	97.1	Very high	9 Å²	9	38.6 Å²	38.6	5%	0.048	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-44.3	177.6	-75.5	-8.3	0	0	0	112.1	C292 L293 F300 I363 S364 H367 L372	C292-N296 VanDerWaalsContact O-CB 3.29Å; C292-N296 WeakPolarHBondContact O-CB 3.43Å; C292-N296 PolarHBondContact O-N 2.77Å; L293-N296 PolarHBondContact O-N 2.9Å; N296-F300 VanDerWaalsContact O-CB 3.27Å; N296-F300 WeakPolarHBondContact O-CB 3.26Å; N296-F300 PolarHBondContact O-N 3.2Å; N296-I363 HydrophobicContact CB-CG2 3.6Å; N296-S364 PolarHBondContact ND2-O 2.99Å; N296-H367 PolarHBondContact ND2-O 3.25Å; N296-L372 HydrophobicContact CB-CD1 3.81Å
297	I	97.6	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-59.3	-55.1	177.7	-70.2	164.7	0	0	0	110.2	L293 Y299 F300 R301 R315 S317 P318 I363	L293-I297 HydrophobicContact CD1-CD1 3.72Å; L293-I297 HydrophobicContact CD1-CG1 4Å; L293-I297 HydrophobicContact CD2-CD1 4.48Å; L293-I297 HydrophobicContact CG-CD1 3.68Å; L293-I297 HydrophobicContact CG-CG1 4.38Å; L293-I297 WeakPolarHBondContact O-CB 3.18Å; L293-I297 WeakPolarHBondContact O-CD1 3.34Å; L293-I297 WeakPolarHBondContact O-CG1 3.41Å; L293-I297 PolarHBondContact O-N 3.44Å; I297-Y299 VanDerWaalsContact C-N 3.29Å; I297-Y299 PolarHBondContact O-N 3.37Å; I297-F300 PolarHBondContact O-N 3.39Å; I297-R301 HydrophobicContact CG2-CG 4.39Å; I297-R301 WeakPolarHBondContact O-CB 3.35Å; I297-R301 VanDerWaalsContact O-CG 3.25Å; I297-R301 WeakPolarHBondContact O-CG 3.27Å; I297-R301 PolarHBondContact O-N 2.61Å; I297-R315 WeakPolarHBondContact CG2-O 3.4Å; I297-S317 WeakPolarHBondContact CG2-O 3.48Å; I297-P318 HydrophobicContact CD1-CB 3.81Å; I297-P318 HydrophobicContact CG1-CB 4.41Å; I297-I363 HydrophobicContact CG1-CB 3.94Å; I297-I363 HydrophobicContact CG1-CG1 4.49Å; I297-I363 HydrophobicContact CG1-CG2 4.05Å
298	R	97.6	Very high	97.1	Very high	85 Å²	85	36.2 Å²	36.2	32%	0.321	16%	0.16	S	C	.	.	H	α-helix	trans	-61.2	-41.8	-176.7	-71.3	170.8	-174.5	162.8	4.3	111.3	A294 E295 A302 R315 D316 V402	A294-R298 WeakPolarHBondContact O-CB 3.39Å; A294-R298 WeakPolarHBondContact O-CD 3.44Å; A294-R298 VanDerWaalsContact O-CG 3.26Å; A294-R298 WeakPolarHBondContact O-CG 3.4Å; A294-R298 PolarHBondContact O-N 3.36Å; A294-R298 VanDerWaalsContact O-N 3.13Å; E295-R298 PolarHBondContact O-N 2.9Å; R298-A302 VanDerWaalsContact O-CB 3.22Å; R298-A302 WeakPolarHBondContact O-CB 3.36Å; R298-A302 PolarHBondContact O-N 3.47Å; R298-R315 HydrophobicContact CG-CG 4.1Å; R298-D316 IonicContact CZ-OD1 3.88Å; R298-D316 VanDerWaalsContact CZ-OD1 3.25Å; R298-D316 IonicContact NE-OD1 2.81Å; R298-D316 PolarHBondContact NE-OD1 2.89Å; R298-D316 IonicContact NH2-OD1 3.44Å; R298-D316 PolarHBondContact NH2-OD1 3.27Å; R298-D316 IonicContact NH2-OD2 3.82Å; R298-V402 HydrophobicContact CB-CG2 4.28Å
299	Y	97.4	Very high	97.1	Very high	1 Å²	1	30 Å²	30	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-54.8	176.4	176.4	-116	0	0	0	112.3	E295 I297 R301 A302 R303 R369 L372 D373 L376 V402 D406	E295-Y299 VanDerWaalsContact O-CB 3.25Å; E295-Y299 WeakPolarHBondContact O-CB 3.34Å; E295-Y299 PolarHBondContact O-N 2.98Å; I297-Y299 VanDerWaalsContact C-N 3.29Å; I297-Y299 PolarHBondContact O-N 3.37Å; Y299-R301 VanDerWaalsContact C-N 3.31Å; Y299-R301 PolarHBondContact O-N 2.94Å; Y299-A302 PolarHBondContact O-N 2.86Å; Y299-A302 VanDerWaalsContact O-N 3.14Å; Y299-R303 HydrophobicContact CD2-CG 4.01Å; Y299-R303 HydrophobicContact CE1-CG 4.19Å; Y299-R303 HydrophobicContact CE2-CG 3.57Å; Y299-R303 WeakPolarHBondContact O-CG 3.34Å; Y299-R303 PolarHBondContact O-N 3.19Å; Y299-R303 PolarHBondContact OH-NH1 3.41Å; Y299-R369 VanDerWaalsContact CD1-CZ 3.45Å; Y299-R369 VanDerWaalsContact CE1-CD 3.43Å; Y299-R369 VanDerWaalsContact CZ-NE 3.31Å; Y299-L372 HydrophobicContact CD1-CB 4.4Å; Y299-L372 HydrophobicContact CD1-CD1 4.17Å; Y299-L372 HydrophobicContact CE1-CB 4.3Å; Y299-D373 WeakPolarHBondContact CE1-OD1 3.3Å; Y299-D373 PolarHBondContact OH-OD1 3.46Å; Y299-L376 HydrophobicContact CD1-CD1 4.43Å; Y299-L376 HydrophobicContact CE1-CD1 3.8Å; Y299-V402 HydrophobicContact CD2-CG1 4.45Å; Y299-D406 WeakPolarHBondContact CE2-OD2 3.49Å
300	F	97.9	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-59	-44.8	-177.4	-173.1	-98.1	0	0	0	111.1	L24 N296 I297 R303 L304 V320 F361 I363 L372 A375 L376 I379	L24-F300 HydrophobicContact CD1-CE2 3.88Å; L24-F300 HydrophobicContact CD1-CZ 3.83Å; N296-F300 VanDerWaalsContact O-CB 3.27Å; N296-F300 WeakPolarHBondContact O-CB 3.26Å; N296-F300 PolarHBondContact O-N 3.2Å; I297-F300 PolarHBondContact O-N 3.39Å; F300-R303 PolarHBondContact O-N 3.06Å; F300-L304 HydrophobicContact CD1-CD1 3.74Å; F300-L304 HydrophobicContact CD1-CG 4.3Å; F300-L304 HydrophobicContact CE1-CD1 3.45Å; F300-L304 VanDerWaalsContact CE1-CD1 3.45Å; F300-L304 HydrophobicContact CE1-CD2 4.46Å; F300-L304 HydrophobicContact CE1-CG 4.12Å; F300-L304 HydrophobicContact CZ-CD1 4.23Å; F300-L304 HydrophobicContact CZ-CD2 4.46Å; F300-L304 WeakPolarHBondContact O-CG 3.36Å; F300-L304 PolarHBondContact O-N 3.11Å; F300-V320 HydrophobicContact CD1-CB 4.39Å; F300-V320 HydrophobicContact CD1-CG1 4.12Å; F300-V320 HydrophobicContact CD1-CG2 4.42Å; F300-V320 HydrophobicContact CE1-CB 4.45Å; F300-V320 HydrophobicContact CE1-CG1 4.22Å; F300-F361 HydrophobicContact CE1-CB 3.76Å; F300-F361 AromaticContact CE1-CD2 3.95Å; F300-F361 HydrophobicContact CE1-CD2 3.95Å; F300-F361 AromaticContact CE1-CG 3.83Å; F300-F361 HydrophobicContact CE1-CG 3.83Å; F300-F361 HydrophobicContact CZ-CB 4.14Å; F300-F361 HydrophobicContact CZ-CD1 4.12Å; F300-F361 HydrophobicContact CZ-CD2 4.17Å; F300-F361 AromaticContact CZ-CG 3.89Å; F300-F361 HydrophobicContact CZ-CG 3.89Å; F300-I363 HydrophobicContact CB-CD1 4.02Å; F300-I363 HydrophobicContact CB-CG1 4.42Å; F300-I363 HydrophobicContact CD1-CD1 3.52Å; F300-I363 HydrophobicContact CD1-CG1 4.17Å; F300-I363 HydrophobicContact CD2-CD1 4.05Å; F300-I363 HydrophobicContact CE1-CD1 3.87Å; F300-I363 HydrophobicContact CE2-CD1 4.39Å; F300-I363 HydrophobicContact CG-CD1 3.59Å; F300-I363 HydrophobicContact CG-CG1 4.38Å; F300-I363 HydrophobicContact CZ-CD1 4.3Å; F300-L372 HydrophobicContact CD2-CD2 4.05Å; F300-A375 HydrophobicContact CE2-CB 4.48Å; F300-L376 HydrophobicContact CD2-CD1 4.21Å; F300-L376 HydrophobicContact CD2-CD2 3.69Å; F300-L376 HydrophobicContact CD2-CG 3.83Å; F300-L376 HydrophobicContact CE2-CD2 3.67Å; F300-L376 HydrophobicContact CE2-CG 3.89Å; F300-L376 HydrophobicContact CG-CD2 4.41Å; F300-L376 HydrophobicContact CZ-CD2 4.39Å; F300-I379 HydrophobicContact CE2-CD1 3.99Å; F300-I379 HydrophobicContact CZ-CD1 3.64Å
301	R	97.5	Very high	96.9	Very high	4 Å²	4	30 Å²	30	2%	0.015	14%	0.14	C	C	.	.	H	α-helix	trans	-62	-44.1	175.7	-67.2	-179.1	71	85.1	9.9	112.4	I297 Y299 R303 L304 H305 Y312 G313 N314 R315 V320 W398	I297-R301 HydrophobicContact CG2-CG 4.39Å; I297-R301 WeakPolarHBondContact O-CB 3.35Å; I297-R301 VanDerWaalsContact O-CG 3.25Å; I297-R301 WeakPolarHBondContact O-CG 3.27Å; I297-R301 PolarHBondContact O-N 2.61Å; Y299-R301 VanDerWaalsContact C-N 3.31Å; Y299-R301 PolarHBondContact O-N 2.94Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-R303 PolarHBondContact O-N 2.82Å; R301-L304 PolarHBondContact O-N 3.46Å; R301-H305 PolarHBondContact O-CD2 3.07Å; R301-H305 PolarHBondContact O-N 3.45Å; R301-Y312 PolarHBondContact NH1-O 3.34Å; R301-Y312 PolarHBondContact NH2-O 2.91Å; R301-G313 PolarHBondContact NH2-O 3.37Å; R301-N314 PolarHBondContact NE-O 3.49Å; R301-N314 PolarHBondContact NH1-O 3.39Å; R301-R315 WeakPolarHBondContact CD-O 3.17Å; R301-V320 HydrophobicContact CG-CB 4.39Å; R301-V320 HydrophobicContact CG-CG1 3.77Å; R301-V320 HydrophobicContact CG-CG2 3.66Å; R301-W398 HydrophobicContact CB-CH2 3.87Å
302	A	96.8	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-41.5	179.2	0	0	0	0	0	111.9	R298 Y299 H305 E306 W398 A399 V402 L403	R298-A302 VanDerWaalsContact O-CB 3.22Å; R298-A302 WeakPolarHBondContact O-CB 3.36Å; R298-A302 PolarHBondContact O-N 3.47Å; Y299-A302 PolarHBondContact O-N 2.86Å; Y299-A302 VanDerWaalsContact O-N 3.14Å; A302-H305 PolarHBondContact O-N 2.81Å; A302-E306 PolarHBondContact O-N 3.01Å; A302-W398 HydrophobicContact CB-CZ3 4.35Å; A302-A399 HydrophobicContact CB-CB 3.84Å; A302-V402 HydrophobicContact CB-CB 4.14Å; A302-V402 HydrophobicContact CB-CG1 4.06Å; A302-L403 HydrophobicContact CB-CD2 4.08Å; A302-L403 HydrophobicContact CB-CG 4.06Å
303	R	97.1	Very high	96.6	Very high	19 Å²	19	25.9 Å²	25.9	7%	0.072	13%	0.127	C	C	.	.	H	α-helix	trans	-66.5	-36.9	176.1	-65.4	-63.2	-53.4	-72.4	-2.4	112.6	Y299 F300 R301 E306 M307 D373 L376 L403 H409	Y299-R303 HydrophobicContact CD2-CG 4.01Å; Y299-R303 HydrophobicContact CE1-CG 4.19Å; Y299-R303 HydrophobicContact CE2-CG 3.57Å; Y299-R303 WeakPolarHBondContact O-CG 3.34Å; Y299-R303 PolarHBondContact O-N 3.19Å; Y299-R303 PolarHBondContact OH-NH1 3.41Å; F300-R303 PolarHBondContact O-N 3.06Å; R301-R303 VanDerWaalsContact C-N 3.32Å; R301-R303 PolarHBondContact O-N 2.82Å; R303-E306 WeakPolarHBondContact CD-OE2 3.36Å; R303-E306 IonicContact CZ-OE2 2.71Å; R303-E306 IonicContact NE-OE2 2.78Å; R303-E306 PolarHBondContact NE-OE2 3.34Å; R303-E306 IonicContact NH2-OE2 3.96Å; R303-E306 WeakPolarHBondContact O-CB 3.32Å; R303-E306 PolarHBondContact O-N 3.3Å; R303-M307 VanDerWaalsContact O-CG 3.27Å; R303-M307 WeakPolarHBondContact O-CG 3.4Å; R303-M307 PolarHBondContact O-N 3.05Å; R303-M307 VanDerWaalsContact O-N 3.07Å; R303-D373 IonicContact NH1-OD1 3.89Å; R303-L376 HydrophobicContact CB-CD1 3.56Å; R303-L376 HydrophobicContact CB-CD2 3.65Å; R303-L376 HydrophobicContact CB-CG 4.21Å; R303-L376 HydrophobicContact CG-CD1 3.65Å; R303-L403 VanDerWaalsContact CD-CD2 3.48Å; R303-L403 HydrophobicContact CG-CD2 4.27Å; R303-H409 VanDerWaalsContact CD-CE1 3.46Å; R303-H409 WeakPolarHBondContact CD-CE1 3.48Å
304	L	97.5	Very high	96.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-37	173.2	-66.7	174.7	0	0	0	112.8	F300 R301 M307 L309 V311 V320 V322 L376 I379	F300-L304 HydrophobicContact CD1-CD1 3.74Å; F300-L304 HydrophobicContact CD1-CG 4.3Å; F300-L304 HydrophobicContact CE1-CD1 3.45Å; F300-L304 VanDerWaalsContact CE1-CD1 3.45Å; F300-L304 HydrophobicContact CE1-CD2 4.46Å; F300-L304 HydrophobicContact CE1-CG 4.12Å; F300-L304 HydrophobicContact CZ-CD1 4.23Å; F300-L304 HydrophobicContact CZ-CD2 4.46Å; F300-L304 WeakPolarHBondContact O-CG 3.36Å; F300-L304 PolarHBondContact O-N 3.11Å; R301-L304 PolarHBondContact O-N 3.46Å; L304-M307 HydrophobicContact CD2-SD 4.24Å; L304-M307 PolarHBondContact O-N 3.37Å; L304-L309 HydrophobicContact CD2-CD1 3.67Å; L304-L309 PolarHBondContact O-N 3.14Å; L304-V311 HydrophobicContact CB-CG2 3.56Å; L304-V311 HydrophobicContact CD1-CG2 4.32Å; L304-V320 HydrophobicContact CD1-CG1 3.55Å; L304-V322 HydrophobicContact CD1-CG2 3.77Å; L304-V322 HydrophobicContact CD2-CG2 4.33Å; L304-L376 HydrophobicContact CD2-CD2 4.1Å; L304-L376 HydrophobicContact CG-CD2 4.3Å; L304-I379 HydrophobicContact CD2-CD1 4.4Å; L304-I379 HydrophobicContact CD2-CG2 3.89Å
305	H	96.3	Very high	96.5	Very high	28 Å²	28	30 Å²	30	13%	0.13	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-39.7	173	-77.9	-68.7	0	0	0	111.9	R301 A302 M307 R308 I395 W398	R301-H305 PolarHBondContact O-CD2 3.07Å; R301-H305 PolarHBondContact O-N 3.45Å; A302-H305 PolarHBondContact O-N 2.81Å; H305-M307 VanDerWaalsContact C-N 3.29Å; H305-M307 PolarHBondContact O-N 3.1Å; H305-R308 PolarHBondContact O-N 3.34Å; H305-I395 HydrophobicContact CB-CG2 4.38Å; H305-W398 AromaticContact NE2-CZ2 3.97Å
306	E	95.1	Very high	96.5	Very high	41 Å²	41	25.9 Å²	25.9	19%	0.192	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-40.4	173.6	-178	-177.3	-131.6	0	0	111.9	A302 R303 R308 L403 L416	A302-E306 PolarHBondContact O-N 3.01Å; R303-E306 WeakPolarHBondContact CD-OE2 3.36Å; R303-E306 IonicContact CZ-OE2 2.71Å; R303-E306 IonicContact NE-OE2 2.78Å; R303-E306 PolarHBondContact NE-OE2 3.34Å; R303-E306 IonicContact NH2-OE2 3.96Å; R303-E306 WeakPolarHBondContact O-CB 3.32Å; R303-E306 PolarHBondContact O-N 3.3Å; E306-R308 PolarHBondContact O-N 2.99Å; E306-R308 VanDerWaalsContact O-N 3.1Å; E306-L403 HydrophobicContact CB-CD1 4.19Å; E306-L416 HydrophobicContact CG-CD1 4.28Å
307	M	96	Very high	96.5	Very high	11 Å²	11	25.5 Å²	25.5	5%	0.054	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	1.7	175.5	-63.8	168.8	-171	0	0	114.3	R303 L304 H305 L309 L376 I379 D380 R389	R303-M307 VanDerWaalsContact O-CG 3.27Å; R303-M307 WeakPolarHBondContact O-CG 3.4Å; R303-M307 PolarHBondContact O-N 3.05Å; R303-M307 VanDerWaalsContact O-N 3.07Å; L304-M307 HydrophobicContact CD2-SD 4.24Å; L304-M307 PolarHBondContact O-N 3.37Å; H305-M307 VanDerWaalsContact C-N 3.29Å; H305-M307 PolarHBondContact O-N 3.1Å; M307-L309 HydrophobicContact CB-CD1 4.17Å; M307-L309 HydrophobicContact CB-CG 4.11Å; M307-L309 PolarHBondContact O-N 2.96Å; M307-L309 HydrophobicContact SD-CD1 4.34Å; M307-L376 HydrophobicContact CE-CB 3.75Å; M307-L376 HydrophobicContact CE-CD2 3.78Å; M307-L376 HydrophobicContact CE-CG 4.34Å; M307-L376 VanDerWaalsContact CE-O 3.29Å; M307-L376 WeakPolarHBondContact CE-O 3.37Å; M307-L376 HydrophobicContact SD-CD2 4.48Å; M307-I379 HydrophobicContact SD-CG2 4.28Å; M307-D380 HydrophobicContact CE-CB 3.87Å; M307-D380 HydrophobicContact CG-CB 4.37Å; M307-D380 WeakPolarHBondContact CG-OD1 3.1Å; M307-D380 HydrophobicContact SD-CB 3.96Å; M307-R389 VanDerWaalsContact O-CD 3.3Å; M307-R389 WeakPolarHBondContact O-CD 3.23Å; M307-R389 VanDerWaalsContact O-CG 3.26Å; M307-R389 WeakPolarHBondContact O-CG 3.47Å
308	R	96.2	Very high	96.4	Very high	80 Å²	80	25.4 Å²	25.4	30%	0.302	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	31.3	-177.7	-54.2	-61.2	-174.8	161.1	2.4	113.9	H305 E306 R389 Y390 S391 Q393	H305-R308 PolarHBondContact O-N 3.34Å; E306-R308 PolarHBondContact O-N 2.99Å; E306-R308 VanDerWaalsContact O-N 3.1Å; R308-R389 HydrophobicContact CB-CB 4.19Å; R308-R389 CarbonylContact O-C 3.54Å; R308-R389 WeakPolarHBondContact O-CA 3.48Å; R308-Y390 PolarHBondContact O-N 3.13Å; R308-S391 VanDerWaalsContact O-CB 3.28Å; R308-S391 WeakPolarHBondContact O-CB 3.43Å; R308-S391 PolarHBondContact O-N 3.34Å; R308-Q393 PolarHBondContact NH1-O 3.02Å
309	L	96.7	Very high	96.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.103	C	C	.	.			trans	-82.2	151.8	170.6	-64.3	172.7	0	0	0	110.7	L304 M307 V311 V322 I379 A383 I388	L304-L309 HydrophobicContact CD2-CD1 3.67Å; L304-L309 PolarHBondContact O-N 3.14Å; M307-L309 HydrophobicContact CB-CD1 4.17Å; M307-L309 HydrophobicContact CB-CG 4.11Å; M307-L309 PolarHBondContact O-N 2.96Å; M307-L309 HydrophobicContact SD-CD1 4.34Å; L309-V311 HydrophobicContact CB-CG2 4.47Å; L309-V311 PolarHBondContact O-N 3.35Å; L309-V322 HydrophobicContact CB-CG1 4Å; L309-V322 HydrophobicContact CD1-CG1 4.19Å; L309-V322 HydrophobicContact CD2-CG1 4.21Å; L309-V322 HydrophobicContact CG-CG1 4.37Å; L309-I379 HydrophobicContact CD1-CG2 3.83Å; L309-A383 HydrophobicContact CD2-CB 3.93Å; L309-I388 HydrophobicContact CD2-CD1 3.95Å; L309-I388 HydrophobicContact CD2-CG1 3.9Å
310	I	95.9	Very high	96.4	Very high	44 Å²	44	21.3 Å²	21.3	23%	0.226	10%	0.103	C	C	.	.			trans	-84.1	103.7	172.3	-61.2	175.4	0	0	0	107.7	Y312 V322 I323 Y390	I310-Y312 HydrophobicContact CG2-CD1 4.06Å; I310-Y312 HydrophobicContact CG2-CE1 3.82Å; I310-V322 WeakPolarHBondContact O-CA 3.27Å; I310-I323 HydrophobicContact CB-CB 4.12Å; I310-I323 HydrophobicContact CB-CG1 4.39Å; I310-I323 HydrophobicContact CG2-CB 4.01Å; I310-I323 HydrophobicContact CG2-CG1 3.8Å; I310-I323 PolarHBondContact O-N 3.39Å; I310-Y390 HydrophobicContact CD1-CD2 4.31Å
311	V	96.1	Very high	96.4	Very high	16 Å²	16	21.3 Å²	21.3	10%	0.097	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-101.5	123.3	-178.4	-169.3	0	0	0	0	109.6	L304 L309 V320 P321	L304-V311 HydrophobicContact CB-CG2 3.56Å; L304-V311 HydrophobicContact CD1-CG2 4.32Å; L309-V311 HydrophobicContact CB-CG2 4.47Å; L309-V311 PolarHBondContact O-N 3.35Å; V311-V320 HydrophobicContact CG1-CG1 3.76Å; V311-P321 WeakPolarHBondContact CA-O 3.49Å
312	Y	94.6	Very high	96.4	Very high	50 Å²	50	21.2 Å²	21.2	20%	0.196	10%	0.102	C	C	.	.			trans	-91	167.1	176.8	-89.4	28.5	0	0	0	112.2	E172 R301 I310 P321 I323	E172-Y312 CarbonylContact O-C 3.46Å; R301-Y312 PolarHBondContact NH1-O 3.34Å; R301-Y312 PolarHBondContact NH2-O 2.91Å; I310-Y312 HydrophobicContact CG2-CD1 4.06Å; I310-Y312 HydrophobicContact CG2-CE1 3.82Å; Y312-P321 PolarHBondContact N-O 2.95Å; Y312-P321 WeakPolarHBondContact O-CD 3.41Å; Y312-I323 HydrophobicContact CD1-CD1 3.89Å; Y312-I323 HydrophobicContact CD1-CG1 3.55Å; Y312-I323 HydrophobicContact CD2-CD1 3.83Å; Y312-I323 HydrophobicContact CD2-CG1 4.38Å; Y312-I323 HydrophobicContact CE1-CD1 3.99Å; Y312-I323 HydrophobicContact CE1-CG1 3.47Å; Y312-I323 VanDerWaalsContact CE1-CG1 3.47Å; Y312-I323 HydrophobicContact CE2-CD1 3.9Å; Y312-I323 HydrophobicContact CE2-CG1 4.3Å; Y312-I323 HydrophobicContact CG-CD1 3.82Å; Y312-I323 HydrophobicContact CG-CG1 4.03Å
313	G	93.8	Very high	96.3	Very high	31 Å²	31	21.3 Å²	21.3	32%	0.32	10%	0.103	S	C	.	.	S	Bend	trans	83.2	-178.9	175.1	0	0	0	0	0	113.9	E172 G173 R301	E172-G313 WeakPolarHBondContact O-CA 3.39Å; E172-G313 PolarHBondContact O-N 2.97Å; G173-G313 VanDerWaalsContact C-CA 3.44Å; G173-G313 VanDerWaalsContact O-CA 3.24Å; G173-G313 WeakPolarHBondContact O-CA 3.27Å; R301-G313 PolarHBondContact NH2-O 3.37Å
314	N	95.9	Very high	96.1	Very high	44 Å²	44	20.4 Å²	20.4	24%	0.235	10%	0.1	C	C	.	.			trans	-93	161.7	-176.3	-62.8	96.5	0	0	0	112.6	G173 S174 I175 R301 D316 S317	G173-N314 PolarHBondContact O-N 2.96Å; G173-N314 VanDerWaalsContact O-N 3.13Å; S174-N314 VanDerWaalsContact CA-OD1 3.29Å; S174-N314 WeakPolarHBondContact CA-OD1 3.31Å; I175-N314 HydrophobicContact CB-CB 4.31Å; I175-N314 HydrophobicContact CD1-CB 3.77Å; I175-N314 HydrophobicContact CG1-CB 3.92Å; I175-N314 PolarHBondContact N-OD1 3.35Å; R301-N314 PolarHBondContact NE-O 3.49Å; R301-N314 PolarHBondContact NH1-O 3.39Å; N314-D316 PolarHBondContact O-N 2.89Å; N314-D316 VanDerWaalsContact O-N 3.15Å; N314-S317 WeakPolarHBondContact O-CB 3.22Å; N314-S317 PolarHBondContact O-N 3.13Å; N314-S317 VanDerWaalsContact O-N 3.17Å
315	R	95.8	Very high	95.6	Very high	69 Å²	69	22.7 Å²	22.7	26%	0.26	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-42.3	-177.3	-179.3	-172.3	74.6	-151.6	-8.8	114.1	I297 R298 R301 W398 D450	I297-R315 WeakPolarHBondContact CG2-O 3.4Å; R298-R315 HydrophobicContact CG-CG 4.1Å; R301-R315 WeakPolarHBondContact CD-O 3.17Å; R315-W398 HydrophobicContact CB-CD2 4.27Å; R315-W398 HydrophobicContact CB-CH2 4.49Å; R315-W398 HydrophobicContact CB-CZ2 4.2Å; R315-W398 HydrophobicContact CG-CD2 3.66Å; R315-W398 HydrophobicContact CG-CE3 3.55Å; R315-W398 HydrophobicContact CG-CG 4.33Å; R315-W398 HydrophobicContact CG-CH2 4.07Å; R315-W398 HydrophobicContact CG-CZ2 4.14Å; R315-W398 HydrophobicContact CG-CZ3 3.77Å; R315-D450 IonicContact NH1-OD2 3.73Å
316	D	96.6	Very high	95.2	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.053	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	5.8	-170.3	-60.3	-44.9	0	0	0	113.1	I175 L203 Y213 R298 N314	I175-D316 HydrophobicContact CD1-CB 4.34Å; L203-D316 HydrophobicContact CD2-CB 4.07Å; L203-D316 VanDerWaalsContact CD2-O 3.24Å; L203-D316 WeakPolarHBondContact CD2-O 3.13Å; Y213-D316 HydrophobicContact CE2-CB 3.87Å; Y213-D316 WeakPolarHBondContact CE2-OD2 3.24Å; Y213-D316 PolarHBondContact OH-OD2 3.4Å; R298-D316 IonicContact CZ-OD1 3.88Å; R298-D316 VanDerWaalsContact CZ-OD1 3.25Å; R298-D316 IonicContact NE-OD1 2.81Å; R298-D316 PolarHBondContact NE-OD1 2.89Å; R298-D316 IonicContact NH2-OD1 3.44Å; R298-D316 PolarHBondContact NH2-OD1 3.27Å; R298-D316 IonicContact NH2-OD2 3.82Å; N314-D316 PolarHBondContact O-N 2.89Å; N314-D316 VanDerWaalsContact O-N 3.15Å
317	S	97.6	Very high	94.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.			trans	-80	130	-177.8	-177.8	0	0	0	0	112.6	I168 G173 I297 N314 V319	I168-S317 WeakPolarHBondContact CG2-OG 3.35Å; G173-S317 WeakPolarHBondContact O-CB 3.4Å; G173-S317 PolarHBondContact O-OG 2.98Å; I297-S317 WeakPolarHBondContact CG2-O 3.48Å; N314-S317 WeakPolarHBondContact O-CB 3.22Å; N314-S317 PolarHBondContact O-N 3.13Å; N314-S317 VanDerWaalsContact O-N 3.17Å; S317-V319 PolarHBondContact O-N 2.99Å; S317-V319 PolarHBondContact OG-N 3.38Å; S317-V319 PolarHBondContact OG-O 3.26Å
318	P	97	Very high	94.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	-70.1	-14.9	175.7	33.2	-38.8	0	0	0	113.2	Y29 I168 A202 I297 C362 I363	Y29-P318 HydrophobicContact CD1-CB 3.81Å; Y29-P318 HydrophobicContact CD1-CG 4.35Å; Y29-P318 HydrophobicContact CD2-CB 4.43Å; Y29-P318 HydrophobicContact CD2-CG 4.19Å; Y29-P318 HydrophobicContact CE1-CB 3.71Å; Y29-P318 HydrophobicContact CE1-CG 4.03Å; Y29-P318 HydrophobicContact CE2-CB 4.33Å; Y29-P318 HydrophobicContact CE2-CG 3.82Å; Y29-P318 HydrophobicContact CG-CB 4.17Å; Y29-P318 HydrophobicContact CG-CG 4.42Å; I168-P318 VanDerWaalsContact CD1-CD 3.49Å; I168-P318 HydrophobicContact CD1-CG 4.18Å; A202-P318 HydrophobicContact CB-CB 4.44Å; A202-P318 HydrophobicContact CB-CG 3.78Å; I297-P318 HydrophobicContact CD1-CB 3.81Å; I297-P318 HydrophobicContact CG1-CB 4.41Å; P318-C362 WeakPolarHBondContact O-CA 3.24Å; P318-I363 PolarHBondContact O-N 2.99Å; P318-I363 VanDerWaalsContact O-N 3.12Å
319	V	97.6	Very high	94.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	115.2	173.5	-178.3	0	0	0	0	107.6	Y29 I168 S317 P321 R360	Y29-V319 WeakPolarHBondContact OH-CG2 3.25Å; I168-V319 HydrophobicContact CG2-CB 4.48Å; I168-V319 HydrophobicContact CG2-CG2 4.16Å; S317-V319 PolarHBondContact O-N 2.99Å; S317-V319 PolarHBondContact OG-N 3.38Å; S317-V319 PolarHBondContact OG-O 3.26Å; V319-P321 HydrophobicContact CG1-CG 4.22Å; V319-P321 WeakPolarHBondContact O-CD 3.28Å; V319-R360 HydrophobicContact CG1-CG 3.75Å
320	V	97.6	Very high	93.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	90	-176.5	-173.9	0	0	0	0	109.4	F300 R301 L304 V311 F361 I363	F300-V320 HydrophobicContact CD1-CB 4.39Å; F300-V320 HydrophobicContact CD1-CG1 4.12Å; F300-V320 HydrophobicContact CD1-CG2 4.42Å; F300-V320 HydrophobicContact CE1-CB 4.45Å; F300-V320 HydrophobicContact CE1-CG1 4.22Å; R301-V320 HydrophobicContact CG-CB 4.39Å; R301-V320 HydrophobicContact CG-CG1 3.77Å; R301-V320 HydrophobicContact CG-CG2 3.66Å; L304-V320 HydrophobicContact CD1-CG1 3.55Å; V311-V320 HydrophobicContact CG1-CG1 3.76Å; V320-F361 HydrophobicContact CB-CB 4.31Å; V320-F361 PolarHBondContact N-O 2.93Å; V320-F361 WeakPolarHBondContact O-CD2 3.49Å; V320-F361 PolarHBondContact O-N 3.46Å; V320-I363 HydrophobicContact CG2-CG1 4.06Å
321	P	96.9	Very high	93.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137	177	-3.8	22.4	0	0	0	111.4	M171 E172 V311 Y312 V319 R358 V359	M171-P321 WeakPolarHBondContact O-CG 3.26Å; E172-P321 WeakPolarHBondContact O-CG 3.38Å; V311-P321 WeakPolarHBondContact CA-O 3.49Å; Y312-P321 PolarHBondContact N-O 2.95Å; Y312-P321 WeakPolarHBondContact O-CD 3.41Å; V319-P321 HydrophobicContact CG1-CG 4.22Å; V319-P321 WeakPolarHBondContact O-CD 3.28Å; P321-R358 HydrophobicContact CB-CG 4.43Å; P321-V359 CarbonylContact C-O 3.57Å; P321-V359 VanDerWaalsContact CA-O 3.28Å; P321-V359 WeakPolarHBondContact CA-O 3.27Å
322	V	97	Very high	93.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.1	170.3	172.3	0	0	0	0	109	L304 L309 I310 R358 V359 F361	L304-V322 HydrophobicContact CD1-CG2 3.77Å; L304-V322 HydrophobicContact CD2-CG2 4.33Å; L309-V322 HydrophobicContact CB-CG1 4Å; L309-V322 HydrophobicContact CD1-CG1 4.19Å; L309-V322 HydrophobicContact CD2-CG1 4.21Å; L309-V322 HydrophobicContact CG-CG1 4.37Å; I310-V322 WeakPolarHBondContact O-CA 3.27Å; V322-R358 CarbonylContact O-C 3.15Å; V322-R358 VanDerWaalsContact O-CA 3.23Å; V322-R358 WeakPolarHBondContact O-CA 3.22Å; V322-R358 WeakPolarHBondContact O-CB 3.38Å; V322-V359 PolarHBondContact N-O 2.99Å; V322-V359 PolarHBondContact O-N 3.34Å; V322-F361 HydrophobicContact CB-CE2 4.18Å; V322-F361 HydrophobicContact CG2-CD2 4.12Å; V322-F361 HydrophobicContact CG2-CE2 3.77Å
323	I	95.7	Very high	93.5	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	125.4	-178.4	-50.2	-53.8	0	0	0	110	I310 Y312 C325 R358	I310-I323 HydrophobicContact CB-CB 4.12Å; I310-I323 HydrophobicContact CB-CG1 4.39Å; I310-I323 HydrophobicContact CG2-CB 4.01Å; I310-I323 HydrophobicContact CG2-CG1 3.8Å; I310-I323 PolarHBondContact O-N 3.39Å; Y312-I323 HydrophobicContact CD1-CD1 3.89Å; Y312-I323 HydrophobicContact CD1-CG1 3.55Å; Y312-I323 HydrophobicContact CD2-CD1 3.83Å; Y312-I323 HydrophobicContact CD2-CG1 4.38Å; Y312-I323 HydrophobicContact CE1-CD1 3.99Å; Y312-I323 HydrophobicContact CE1-CG1 3.47Å; Y312-I323 VanDerWaalsContact CE1-CG1 3.47Å; Y312-I323 HydrophobicContact CE2-CD1 3.9Å; Y312-I323 HydrophobicContact CE2-CG1 4.3Å; Y312-I323 HydrophobicContact CG-CD1 3.82Å; Y312-I323 HydrophobicContact CG-CG1 4.03Å; I323-C325 VanDerWaalsContact CG2-SG 3.59Å; I323-R358 HydrophobicContact CD1-CB 3.78Å
324	V	92.8	Very high	93.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.178	C	C	.	.			trans	-98.7	-19.4	178.5	177.6	0	0	0	0	111.4	M326 K329 L330 S357 V359 I388 Y390	V324-M326 PolarHBondContact O-N 2.91Å; V324-K329 HydrophobicContact CG1-CB 3.5Å; V324-L330 HydrophobicContact CB-CD2 3.97Å; V324-L330 HydrophobicContact CB-CG 4.41Å; V324-L330 HydrophobicContact CG1-CD2 4.39Å; V324-L330 HydrophobicContact CG1-CG 4.41Å; V324-L330 HydrophobicContact CG2-CD2 3.96Å; V324-S357 PolarHBondContact N-O 3.19Å; V324-V359 HydrophobicContact CG2-CG2 3.72Å; V324-I388 HydrophobicContact CG1-CG2 4.36Å; V324-Y390 WeakPolarHBondContact O-CE2 3.39Å; V324-Y390 PolarHBondContact O-OH 2.87Å
325	C	87	Confident	93.3	Very high	47 Å²	47	35.6 Å²	35.6	32%	0.318	19%	0.193	S	C	.	.			trans	63.2	-48.5	-178.2	-56.2	0	0	0	0	114.7	I323 P327 S357 Y390	I323-C325 VanDerWaalsContact CG2-SG 3.59Å; C325-P327 WeakPolarHBondContact O-CD 3.37Å; C325-S357 PolarHBondContact N-O 3.42Å; C325-Y390 HydrophobicContact CB-CE2 4.22Å
326	M	87.2	Confident	93.3	Very high	106 Å²	106	35.6 Å²	35.6	52%	0.522	19%	0.193	S	C	.	.			trans	-97.1	116.1	-173.1	-170.8	61.6	168.5	0	0	111.1	V324 A328 K329	V324-M326 PolarHBondContact O-N 2.91Å; M326-A328 VanDerWaalsContact C-N 3.25Å; M326-A328 HydrophobicContact CG-CB 4.32Å; M326-A328 PolarHBondContact O-N 2.98Å; M326-K329 HydrophobicContact CB-CB 4.41Å; M326-K329 HydrophobicContact CB-CD 4.21Å; M326-K329 HydrophobicContact CB-CG 4.1Å; M326-K329 HydrophobicContact CG-CG 4.33Å; M326-K329 PolarHBondContact O-N 3.39Å
327	P	85.6	Confident	93.3	Very high	59 Å²	59	35.1 Å²	35.1	38%	0.383	19%	0.19	S	C	.	.	H	α-helix	trans	-55.7	-36.5	-178.1	-28.5	35.5	0	0	0	114.2	C325 K329 L330 L354	C325-P327 WeakPolarHBondContact O-CD 3.37Å; P327-K329 PolarHBondContact O-N 3.5Å; P327-L330 WeakPolarHBondContact O-CB 3.31Å; P327-L330 PolarHBondContact O-N 3.44Å; P327-L330 VanDerWaalsContact O-N 3.12Å; P327-L354 HydrophobicContact CG-CD2 4.49Å
328	A	87.3	Confident	93.1	Very high	67 Å²	67	39.4 Å²	39.4	55%	0.554	21%	0.213	S	C	*	.	H	α-helix	trans	-60.5	-32.4	177.6	0	0	0	0	0	113	M326 T332	M326-A328 VanDerWaalsContact C-N 3.25Å; M326-A328 HydrophobicContact CG-CB 4.32Å; M326-A328 PolarHBondContact O-N 2.98Å; A328-T332 PolarHBondContact O-OG1 3.37Å
329	K	93.2	Very high	92.9	Very high	55 Å²	55	45.9 Å²	45.9	24%	0.239	24%	0.243	C	C	.	.	H	α-helix	trans	-77.2	-22.9	178.5	-65.6	-173.7	-176.9	-172.9	0	112.6	V324 M326 P327 F333 L386 G387 I388 Y390	V324-K329 HydrophobicContact CG1-CB 3.5Å; M326-K329 HydrophobicContact CB-CB 4.41Å; M326-K329 HydrophobicContact CB-CD 4.21Å; M326-K329 HydrophobicContact CB-CG 4.1Å; M326-K329 HydrophobicContact CG-CG 4.33Å; M326-K329 PolarHBondContact O-N 3.39Å; P327-K329 PolarHBondContact O-N 3.5Å; K329-F333 VanDerWaalsContact O-CB 3.29Å; K329-F333 WeakPolarHBondContact O-CB 3.11Å; K329-F333 PolarHBondContact O-N 3.45Å; K329-L386 WeakPolarHBondContact CE-O 3.35Å; K329-L386 PolarHBondContact NZ-O 3.43Å; K329-G387 PolarHBondContact NZ-O 3.42Å; K329-I388 HydrophobicContact CD-CG2 3.59Å; K329-Y390 PolarHBondContact NZ-OH 3.24Å
330	L	91.9	Very high	92.9	Very high	11 Å²	11	48 Å²	48	6%	0.058	25%	0.254	C	S	.	.	H	α-helix	trans	-60.1	-52.9	180	-79.8	172.7	0	0	0	111.7	V324 P327 T332 F333 S334 V346 S357 R358	V324-L330 HydrophobicContact CB-CD2 3.97Å; V324-L330 HydrophobicContact CB-CG 4.41Å; V324-L330 HydrophobicContact CG1-CD2 4.39Å; V324-L330 HydrophobicContact CG1-CG 4.41Å; V324-L330 HydrophobicContact CG2-CD2 3.96Å; P327-L330 WeakPolarHBondContact O-CB 3.31Å; P327-L330 PolarHBondContact O-N 3.44Å; P327-L330 VanDerWaalsContact O-N 3.12Å; L330-T332 VanDerWaalsContact C-N 3.31Å; L330-T332 PolarHBondContact O-N 3.14Å; L330-F333 WeakPolarHBondContact O-CB 3.08Å; L330-F333 PolarHBondContact O-N 3.34Å; L330-S334 PolarHBondContact O-N 3.36Å; L330-V346 HydrophobicContact CB-CB 4.3Å; L330-V346 HydrophobicContact CB-CG1 4.34Å; L330-V346 HydrophobicContact CD2-CB 3.96Å; L330-V346 HydrophobicContact CD2-CG1 3.93Å; L330-V346 WeakPolarHBondContact O-CG1 3.39Å; L330-S357 VanDerWaalsContact CD1-CB 3.49Å; L330-R358 WeakPolarHBondContact CD2-O 3.23Å
331	V	89.2	Confident	92.8	Very high	73 Å²	73	48.5 Å²	48.5	44%	0.442	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-41.9	-176.1	-178.4	0	0	0	0	110.1	S334 R335	V331-S334 PolarHBondContact O-N 2.67Å; V331-R335 HydrophobicContact CG1-CG 4.44Å; V331-R335 WeakPolarHBondContact O-CB 3.49Å; V331-R335 WeakPolarHBondContact O-CG 3.42Å; V331-R335 PolarHBondContact O-N 2.94Å
332	T	92.5	Very high	92.8	Very high	70 Å²	70	48.5 Å²	48.5	43%	0.429	26%	0.259	S	S	.	.	H	α-helix	trans	-63.3	-42.8	176.2	-48.8	0	0	0	0	111.6	A328 L330 S334 R335 R336 L386	A328-T332 PolarHBondContact O-OG1 3.37Å; L330-T332 VanDerWaalsContact C-N 3.31Å; L330-T332 PolarHBondContact O-N 3.14Å; T332-S334 PolarHBondContact O-N 3.17Å; T332-R335 PolarHBondContact O-N 3.36Å; T332-R336 WeakPolarHBondContact O-CB 3.49Å; T332-R336 PolarHBondContact O-N 3.31Å; T332-L386 HydrophobicContact CG2-CD2 3.65Å
333	F	95.7	Very high	92.7	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-56.9	-51.2	175.7	-173.9	-79.7	0	0	0	111.1	K329 L330 R335 R336 C337 T344 V359 F361 I379 V382 L386 I388	K329-F333 VanDerWaalsContact O-CB 3.29Å; K329-F333 WeakPolarHBondContact O-CB 3.11Å; K329-F333 PolarHBondContact O-N 3.45Å; L330-F333 WeakPolarHBondContact O-CB 3.08Å; L330-F333 PolarHBondContact O-N 3.34Å; F333-R335 PolarHBondContact O-N 3.45Å; F333-R336 PolarHBondContact O-N 3.11Å; F333-C337 WeakPolarHBondContact CE1-SG 3.41Å; F333-C337 WeakPolarHBondContact O-CB 3.43Å; F333-C337 PolarHBondContact O-N 2.66Å; F333-C337 PolarHBondContact O-SG 3.2Å; F333-T344 HydrophobicContact CE1-CG2 4.31Å; F333-V359 HydrophobicContact CD1-CB 4.42Å; F333-V359 HydrophobicContact CD1-CG1 4.24Å; F333-V359 HydrophobicContact CD1-CG2 3.36Å; F333-V359 HydrophobicContact CD2-CG2 4.45Å; F333-V359 HydrophobicContact CE1-CB 4.19Å; F333-V359 HydrophobicContact CE1-CG1 3.79Å; F333-V359 HydrophobicContact CE1-CG2 3.54Å; F333-V359 HydrophobicContact CG-CG2 3.88Å; F333-V359 HydrophobicContact CZ-CG2 4.18Å; F333-F361 HydrophobicContact CE1-CZ 4.03Å; F333-F361 HydrophobicContact CZ-CZ 4Å; F333-I379 HydrophobicContact CZ-CG1 4.39Å; F333-I379 HydrophobicContact CZ-CG2 4.35Å; F333-V382 HydrophobicContact CB-CG1 4.49Å; F333-V382 HydrophobicContact CD2-CG1 3.57Å; F333-V382 HydrophobicContact CE2-CB 4.38Å; F333-V382 HydrophobicContact CE2-CG1 3.91Å; F333-V382 HydrophobicContact CG-CG1 4.11Å; F333-L386 HydrophobicContact CB-CD1 3.76Å; F333-L386 HydrophobicContact CD2-CD1 4.07Å; F333-L386 HydrophobicContact CG-CD1 4.41Å; F333-I388 HydrophobicContact CD2-CD1 3.83Å; F333-I388 HydrophobicContact CE2-CD1 3.8Å
334	S	93.9	Very high	92.6	Very high	32 Å²	32	49.8 Å²	49.8	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-61	-46.4	-179.8	-177.9	0	0	0	0	112.2	L330 V331 T332 L338	L330-S334 PolarHBondContact O-N 3.36Å; V331-S334 PolarHBondContact O-N 2.67Å; T332-S334 PolarHBondContact O-N 3.17Å; S334-L338 WeakPolarHBondContact O-CB 3.36Å; S334-L338 PolarHBondContact O-N 2.84Å
335	R	91.5	Very high	92.7	Very high	144 Å²	144	52.1 Å²	52.1	54%	0.543	28%	0.284	S	S	.	.	H	α-helix	trans	-64.1	-45.7	179.4	-72.6	178.4	178.5	179.9	1	112	V331 T332 F333 L338 E339	V331-R335 HydrophobicContact CG1-CG 4.44Å; V331-R335 WeakPolarHBondContact O-CB 3.49Å; V331-R335 WeakPolarHBondContact O-CG 3.42Å; V331-R335 PolarHBondContact O-N 2.94Å; T332-R335 PolarHBondContact O-N 3.36Å; F333-R335 PolarHBondContact O-N 3.45Å; R335-L338 WeakPolarHBondContact O-CB 3.41Å; R335-L338 PolarHBondContact O-N 3.38Å; R335-L338 VanDerWaalsContact O-N 3.16Å; R335-E339 WeakPolarHBondContact O-CG 3.33Å; R335-E339 PolarHBondContact O-N 3.45Å
336	R	95	Very high	93	Very high	69 Å²	69	52.2 Å²	52.2	26%	0.26	28%	0.283	S	S	.	.	H	α-helix	trans	-67.3	-42	-178.7	-169.4	66.6	-179	134.2	5.5	112.1	T332 F333 L338 E339 L340 V382 E385	T332-R336 WeakPolarHBondContact O-CB 3.49Å; T332-R336 PolarHBondContact O-N 3.31Å; F333-R336 PolarHBondContact O-N 3.11Å; R336-L338 VanDerWaalsContact C-N 3.28Å; R336-L338 PolarHBondContact O-N 2.98Å; R336-E339 WeakPolarHBondContact CD-OE2 3.45Å; R336-E339 IonicContact CZ-OE2 2.81Å; R336-E339 IonicContact NH1-OE2 3.79Å; R336-E339 PolarHBondContact NH1-OE2 2.62Å; R336-E339 PolarHBondContact O-N 2.85Å; R336-L340 HydrophobicContact CG-CD1 4.42Å; R336-L340 WeakPolarHBondContact O-CG 3.2Å; R336-L340 PolarHBondContact O-N 3.21Å; R336-L340 VanDerWaalsContact O-N 3.17Å; R336-V382 HydrophobicContact CB-CG1 4.16Å; R336-V382 HydrophobicContact CB-CG2 4.07Å; R336-V382 HydrophobicContact CG-CB 4.5Å; R336-V382 HydrophobicContact CG-CG1 4.25Å; R336-V382 HydrophobicContact CG-CG2 3.56Å; R336-E385 WeakPolarHBondContact CG-OE2 3.42Å; R336-E385 IonicContact CZ-OE1 2.74Å; R336-E385 IonicContact CZ-OE2 2.69Å; R336-E385 IonicContact NE-OE1 3.25Å; R336-E385 IonicContact NE-OE2 3.88Å; R336-E385 PolarHBondContact NE-OE2 3.45Å; R336-E385 IonicContact NH2-OE1 2.77Å; R336-E385 PolarHBondContact NH2-OE1 3.1Å; R336-E385 IonicContact NH2-OE2 3.42Å
337	C	96.6	Very high	93.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.4	-43.2	170.9	-73.5	0	0	0	0	111.2	F333 L340 G341 L342 T344 I378	F333-C337 WeakPolarHBondContact CE1-SG 3.41Å; F333-C337 WeakPolarHBondContact O-CB 3.43Å; F333-C337 PolarHBondContact O-N 2.66Å; F333-C337 PolarHBondContact O-SG 3.2Å; C337-L340 CarbonylContact O-C 3.6Å; C337-L340 PolarHBondContact O-N 2.76Å; C337-G341 PolarHBondContact O-N 3.32Å; C337-G341 VanDerWaalsContact O-N 3.11Å; C337-L342 CarbonylContact C-O 3.52Å; C337-L342 HydrophobicContact CB-CB 4.13Å; C337-L342 HydrophobicContact CB-CD2 4.31Å; C337-L342 HydrophobicContact CB-CG 4.41Å; C337-L342 WeakPolarHBondContact CB-O 3.4Å; C337-L342 WeakPolarHBondContact O-CA 3.39Å; C337-L342 PolarHBondContact O-N 3.47Å; C337-T344 HydrophobicContact CB-CG2 4.06Å; C337-I378 HydrophobicContact CB-CG2 4.42Å
338	L	94.2	Very high	93.5	Very high	89 Å²	89	46 Å²	46	47%	0.466	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-42.9	-179.7	-173.4	69.9	0	0	0	112.2	V21 S334 R335 R336 L340 G341 L342	V21-L338 HydrophobicContact CB-CD1 4.48Å; V21-L338 HydrophobicContact CG1-CD1 3.87Å; V21-L338 HydrophobicContact CG2-CD1 4.32Å; S334-L338 WeakPolarHBondContact O-CB 3.36Å; S334-L338 PolarHBondContact O-N 2.84Å; R335-L338 WeakPolarHBondContact O-CB 3.41Å; R335-L338 PolarHBondContact O-N 3.38Å; R335-L338 VanDerWaalsContact O-N 3.16Å; R336-L338 VanDerWaalsContact C-N 3.28Å; R336-L338 PolarHBondContact O-N 2.98Å; L338-L340 PolarHBondContact O-N 2.97Å; L338-G341 WeakPolarHBondContact O-CA 3.33Å; L338-G341 PolarHBondContact O-N 2.87Å; L338-L342 WeakPolarHBondContact CA-O 3.44Å; L338-L342 PolarHBondContact N-O 3.38Å
339	E	93.6	Very high	93.6	Very high	136 Å²	136	50 Å²	50	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-57.3	-37.1	173.9	-73.2	168.7	-168.5	0	0	112.3	R335 R336 G341	R335-E339 WeakPolarHBondContact O-CG 3.33Å; R335-E339 PolarHBondContact O-N 3.45Å; R336-E339 WeakPolarHBondContact CD-OE2 3.45Å; R336-E339 IonicContact CZ-OE2 2.81Å; R336-E339 IonicContact NH1-OE2 3.79Å; R336-E339 PolarHBondContact NH1-OE2 2.62Å; R336-E339 PolarHBondContact O-N 2.85Å; E339-G341 PolarHBondContact O-N 2.94Å
340	L	96.2	Very high	93.3	Very high	46 Å²	46	52.7 Å²	52.7	24%	0.241	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	0.9	177.1	-62.2	171.1	0	0	0	113	R336 C337 L338 I378 V382	R336-L340 HydrophobicContact CG-CD1 4.42Å; R336-L340 WeakPolarHBondContact O-CG 3.2Å; R336-L340 PolarHBondContact O-N 3.21Å; R336-L340 VanDerWaalsContact O-N 3.17Å; C337-L340 CarbonylContact O-C 3.6Å; C337-L340 PolarHBondContact O-N 2.76Å; L338-L340 PolarHBondContact O-N 2.97Å; L340-I378 HydrophobicContact CB-CD1 4.17Å; L340-I378 HydrophobicContact CB-CG1 4.03Å; L340-I378 HydrophobicContact CB-CG2 3.75Å; L340-I378 HydrophobicContact CD1-CG2 3.91Å; L340-I378 HydrophobicContact CG-CG2 4.49Å; L340-I378 VanDerWaalsContact O-CD1 3.23Å; L340-I378 WeakPolarHBondContact O-CD1 3.38Å; L340-V382 HydrophobicContact CD1-CG2 3.78Å
341	G	95.8	Very high	92.9	Very high	10 Å²	10	55.3 Å²	55.3	10%	0.103	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	23.1	174.9	0	0	0	0	0	115.4	V21 L22 C337 L338 E339	V21-G341 CarbonylContact C-O 3.5Å; V21-G341 WeakPolarHBondContact CA-O 3.42Å; V21-G341 WeakPolarHBondContact CB-O 3.4Å; L22-G341 PolarHBondContact N-O 3.16Å; C337-G341 PolarHBondContact O-N 3.32Å; C337-G341 VanDerWaalsContact O-N 3.11Å; L338-G341 WeakPolarHBondContact O-CA 3.33Å; L338-G341 PolarHBondContact O-N 2.87Å; E339-G341 PolarHBondContact O-N 2.94Å
342	L	97	Very high	92.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	115.8	177.6	-179.1	67.3	0	0	0	111.6	L22 L24 C337 L338 T344 A375 I378 I379	L22-L342 HydrophobicContact CB-CD1 4.09Å; L22-L342 HydrophobicContact CD2-CD1 4.07Å; L22-L342 HydrophobicContact CG-CD1 4Å; L24-L342 HydrophobicContact CD1-CD1 3.93Å; L24-L342 HydrophobicContact CG-CD1 3.93Å; C337-L342 CarbonylContact C-O 3.52Å; C337-L342 HydrophobicContact CB-CB 4.13Å; C337-L342 HydrophobicContact CB-CD2 4.31Å; C337-L342 HydrophobicContact CB-CG 4.41Å; C337-L342 WeakPolarHBondContact CB-O 3.4Å; C337-L342 WeakPolarHBondContact O-CA 3.39Å; C337-L342 PolarHBondContact O-N 3.47Å; L338-L342 WeakPolarHBondContact CA-O 3.44Å; L338-L342 PolarHBondContact N-O 3.38Å; L342-T344 HydrophobicContact CD2-CG2 3.85Å; L342-T344 HydrophobicContact CG-CG2 3.76Å; L342-A375 HydrophobicContact CD1-CB 3.84Å; L342-A375 HydrophobicContact CD2-CB 4.32Å; L342-I378 HydrophobicContact CB-CD1 3.96Å; L342-I378 HydrophobicContact CB-CG2 3.99Å; L342-I378 HydrophobicContact CD2-CB 4.28Å; L342-I378 HydrophobicContact CD2-CG2 3.95Å; L342-I379 HydrophobicContact CD2-CD1 4.2Å; L342-I379 HydrophobicContact CD2-CG1 3.79Å
343	G	94.7	Very high	92.5	Very high	15 Å²	15	53 Å²	53	16%	0.155	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.3	172.2	0	0	0	0	0	111.6	L22 L24	L22-G343 PolarHBondContact O-N 2.99Å; L24-G343 PolarHBondContact N-O 3Å; L24-G343 VanDerWaalsContact N-O 3.14Å
344	T	94.4	Very high	92.1	Very high	16 Å²	16	57.9 Å²	57.9	10%	0.098	32%	0.318	C	S	.	.			trans	-124.9	154.1	179.9	65.3	0	0	0	0	111	F333 C337 L342 F361	F333-T344 HydrophobicContact CE1-CG2 4.31Å; C337-T344 HydrophobicContact CB-CG2 4.06Å; L342-T344 HydrophobicContact CD2-CG2 3.85Å; L342-T344 HydrophobicContact CG-CG2 3.76Å; T344-F361 HydrophobicContact CG2-CD1 4.32Å; T344-F361 HydrophobicContact CG2-CE1 3.57Å; T344-F361 HydrophobicContact CG2-CZ 4.41Å
345	V	93.7	Very high	91.8	Very high	49 Å²	49	62.9 Å²	62.9	30%	0.297	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.6	174.5	176.7	0	0	0	0	108.6	V347 R360	V345-V347 HydrophobicContact CG1-CG2 4.21Å; V345-R360 PolarHBondContact O-N 3.29Å
346	V	94.2	Very high	91.8	Very high	48 Å²	48	58.8 Å²	58.8	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	139.8	171.8	-72.4	0	0	0	0	110.1	L330 V359	L330-V346 HydrophobicContact CB-CB 4.3Å; L330-V346 HydrophobicContact CB-CG1 4.34Å; L330-V346 HydrophobicContact CD2-CB 3.96Å; L330-V346 HydrophobicContact CD2-CG1 3.93Å; L330-V346 WeakPolarHBondContact O-CG1 3.39Å; V346-V359 HydrophobicContact CG1-CG2 3.89Å
347	V	92.7	Very high	91.8	Very high	13 Å²	13	55.5 Å²	55.5	8%	0.079	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.9	-178.5	-171.5	0	0	0	0	108.5	M171 V345 A351 T352 R358 R360	M171-V347 HydrophobicContact SD-CG1 3.86Å; M171-V347 HydrophobicContact SD-CG2 4.26Å; V345-V347 HydrophobicContact CG1-CG2 4.21Å; V347-A351 HydrophobicContact CG1-CB 3.62Å; V347-T352 HydrophobicContact CG1-CG2 3.86Å; V347-R358 HydrophobicContact CB-CG 4.27Å; V347-R358 PolarHBondContact N-O 2.75Å; V347-R358 PolarHBondContact O-N 2.78Å; V347-R360 HydrophobicContact CG2-CB 4.36Å
348	G	90.6	Very high	91.7	Very high	23 Å²	23	55.7 Å²	55.7	24%	0.237	32%	0.318	C	S	.	.			trans	-133.9	-164.8	175.2	0	0	0	0	0	111.4	A351 T352	G348-A351 WeakPolarHBondContact O-CB 3.37Å; G348-A351 PolarHBondContact O-N 3.38Å; G348-T352 PolarHBondContact O-N 3.36Å
349	F	89.5	Confident	91.8	Very high	150 Å²	150	51.4 Å²	51.4	66%	0.658	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	138	178.2	-174.3	-92.5	0	0	0	112	T352 L354	F349-T352 VanDerWaalsContact CA-O 3.24Å; F349-T352 WeakPolarHBondContact CA-O 3.31Å; F349-T352 PolarHBondContact N-O 2.93Å; F349-L354 HydrophobicContact CB-CD2 3.82Å; F349-L354 HydrophobicContact CG-CD2 4.28Å
350	P	86.2	Confident	91.9	Very high	111 Å²	111	45.6 Å²	45.6	72%	0.721	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	cis	-89.9	-0.5	6.5	36	-36.4	0	0	0	115.4	T352	P350-T352 VanDerWaalsContact C-N 3.33Å; P350-T352 PolarHBondContact O-N 3.26Å
351	A	83.8	Confident	92	Very high	66 Å²	66	43.4 Å²	43.4	55%	0.545	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-31.6	-176.9	0	0	0	0	0	112.8	V347 G348	V347-A351 HydrophobicContact CG1-CB 3.62Å; G348-A351 WeakPolarHBondContact O-CB 3.37Å; G348-A351 PolarHBondContact O-N 3.38Å
352	T	85.7	Confident	92	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.055	25%	0.252	C	S	.	.	S	Bend	trans	-129.9	158.2	170	60	0	0	0	0	110.1	M171 V347 G348 F349 P350 L356	M171-T352 HydrophobicContact CB-CG2 4.5Å; V347-T352 HydrophobicContact CG1-CG2 3.86Å; G348-T352 PolarHBondContact O-N 3.36Å; F349-T352 VanDerWaalsContact CA-O 3.24Å; F349-T352 WeakPolarHBondContact CA-O 3.31Å; F349-T352 PolarHBondContact N-O 2.93Å; P350-T352 VanDerWaalsContact C-N 3.33Å; P350-T352 PolarHBondContact O-N 3.26Å; T352-L356 PolarHBondContact OG1-O 2.86Å
353	T	87.6	Confident	92	Very high	85 Å²	85	42.9 Å²	42.9	52%	0.521	25%	0.252	S	S	.	.			trans	-64.4	154	173.4	61.1	0	0	0	0	110.6	L355 L356 S357	T353-L355 PolarHBondContact O-N 3.28Å; T353-L355 VanDerWaalsContact O-N 3.15Å; T353-L356 CarbonylContact O-C 3.54Å; T353-L356 PolarHBondContact O-N 2.92Å; T353-L356 WeakPolarHBondContact OG1-CB 3.09Å; T353-L356 WeakPolarHBondContact OG1-CG 3.48Å; T353-S357 PolarHBondContact O-N 2.85Å
354	L	87.6	Confident	92.1	Very high	105 Å²	105	42.4 Å²	42.4	55%	0.55	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-52.6	-42	-174.4	-70.2	171	0	0	0	113	P327 F349 L356 S357	P327-L354 HydrophobicContact CG-CD2 4.49Å; F349-L354 HydrophobicContact CB-CD2 3.82Å; F349-L354 HydrophobicContact CG-CD2 4.28Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 PolarHBondContact O-N 3.44Å; L354-S357 PolarHBondContact O-OG 3.14Å
355	L	88.1	Confident	92.2	Very high	136 Å²	136	42.2 Å²	42.2	71%	0.712	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-75.8	-17.4	-179.1	-59.4	179.5	0	0	0	113.9	T353	T353-L355 PolarHBondContact O-N 3.28Å; T353-L355 VanDerWaalsContact O-N 3.15Å
356	L	91.3	Very high	92.3	Very high	58 Å²	58	42 Å²	42	30%	0.304	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-111.4	27.9	-178.9	-56.1	179.4	0	0	0	111.9	T352 T353 L354 R358	T352-L356 PolarHBondContact OG1-O 2.86Å; T353-L356 CarbonylContact O-C 3.54Å; T353-L356 PolarHBondContact O-N 2.92Å; T353-L356 WeakPolarHBondContact OG1-CB 3.09Å; T353-L356 WeakPolarHBondContact OG1-CG 3.48Å; L354-L356 VanDerWaalsContact C-N 3.32Å; L354-L356 PolarHBondContact O-N 3.44Å; L356-R358 VanDerWaalsContact CB-NH2 3.32Å; L356-R358 PolarHBondContact O-NE 3.5Å; L356-R358 PolarHBondContact O-NH2 3.49Å; L356-R358 VanDerWaalsContact O-NH2 3.08Å
357	S	93.6	Very high	92.4	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	24%	0.239	C	C	.	.			trans	-52.8	130.4	164.8	-74.8	0	0	0	0	110.7	V324 C325 L330 T353 L354	V324-S357 PolarHBondContact N-O 3.19Å; C325-S357 PolarHBondContact N-O 3.42Å; L330-S357 VanDerWaalsContact CD1-CB 3.49Å; T353-S357 PolarHBondContact O-N 2.85Å; L354-S357 PolarHBondContact O-OG 3.14Å
358	R	95.6	Very high	92.5	Very high	3 Å²	3	43.1 Å²	43.1	1%	0.011	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.3	-169.8	66.9	-164.9	73.7	167.5	11.4	114.1	M171 E172 P321 V322 I323 L330 V347 L356	M171-R358 WeakPolarHBondContact O-CD 3.27Å; M171-R358 PolarHBondContact O-NH1 2.96Å; E172-R358 IonicContact OE1-CZ 3.75Å; E172-R358 IonicContact OE1-NH1 3.32Å; E172-R358 PolarHBondContact OE1-NH1 3.06Å; E172-R358 IonicContact OE1-NH2 2.82Å; P321-R358 HydrophobicContact CB-CG 4.43Å; V322-R358 CarbonylContact O-C 3.15Å; V322-R358 VanDerWaalsContact O-CA 3.23Å; V322-R358 WeakPolarHBondContact O-CA 3.22Å; V322-R358 WeakPolarHBondContact O-CB 3.38Å; I323-R358 HydrophobicContact CD1-CB 3.78Å; L330-R358 WeakPolarHBondContact CD2-O 3.23Å; V347-R358 HydrophobicContact CB-CG 4.27Å; V347-R358 PolarHBondContact N-O 2.75Å; V347-R358 PolarHBondContact O-N 2.78Å; L356-R358 VanDerWaalsContact CB-NH2 3.32Å; L356-R358 PolarHBondContact O-NE 3.5Å; L356-R358 PolarHBondContact O-NH2 3.49Å; L356-R358 VanDerWaalsContact O-NH2 3.08Å
359	V	96.1	Very high	92.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	133.7	163	-177.2	0	0	0	0	106.9	P321 V322 V324 F333 V346 F361	P321-V359 CarbonylContact C-O 3.57Å; P321-V359 VanDerWaalsContact CA-O 3.28Å; P321-V359 WeakPolarHBondContact CA-O 3.27Å; V322-V359 PolarHBondContact N-O 2.99Å; V322-V359 PolarHBondContact O-N 3.34Å; V324-V359 HydrophobicContact CG2-CG2 3.72Å; F333-V359 HydrophobicContact CD1-CB 4.42Å; F333-V359 HydrophobicContact CD1-CG1 4.24Å; F333-V359 HydrophobicContact CD1-CG2 3.36Å; F333-V359 HydrophobicContact CD2-CG2 4.45Å; F333-V359 HydrophobicContact CE1-CB 4.19Å; F333-V359 HydrophobicContact CE1-CG1 3.79Å; F333-V359 HydrophobicContact CE1-CG2 3.54Å; F333-V359 HydrophobicContact CG-CG2 3.88Å; F333-V359 HydrophobicContact CZ-CG2 4.18Å; V346-V359 HydrophobicContact CG1-CG2 3.89Å; V359-F361 HydrophobicContact CB-CE2 4.15Å; V359-F361 HydrophobicContact CB-CZ 4.27Å; V359-F361 HydrophobicContact CG1-CD1 4.36Å; V359-F361 HydrophobicContact CG1-CD2 4.27Å; V359-F361 HydrophobicContact CG1-CE1 3.84Å; V359-F361 HydrophobicContact CG1-CE2 3.71Å; V359-F361 HydrophobicContact CG1-CZ 3.47Å; V359-F361 VanDerWaalsContact CG1-CZ 3.47Å
360	R	95.9	Very high	93.1	Very high	13 Å²	13	45 Å²	45	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.9	178	-172.7	-179.1	58.4	174.9	-5.1	109.8	Y27 S170 V319 V345 V347	Y27-R360 PolarHBondContact OH-NH1 3.24Å; Y27-R360 VanDerWaalsContact OH-NH1 3.13Å; Y27-R360 PolarHBondContact OH-NH2 3.15Å; S170-R360 WeakPolarHBondContact O-CD 3.29Å; S170-R360 PolarHBondContact O-NH1 3.32Å; V319-R360 HydrophobicContact CG1-CG 3.75Å; V345-R360 PolarHBondContact O-N 3.29Å; V347-R360 HydrophobicContact CG2-CB 4.36Å
361	F	97.5	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	142.7	171.7	-55.8	-77.4	0	0	0	110	L24 F300 V320 V322 F333 T344 V359 I379	L24-F361 HydrophobicContact CB-CD1 3.89Å; L24-F361 HydrophobicContact CD1-CD1 3.78Å; L24-F361 HydrophobicContact CD1-CE1 4.31Å; L24-F361 CarbonylContact O-C 3.5Å; L24-F361 WeakPolarHBondContact O-CA 3.47Å; F300-F361 HydrophobicContact CE1-CB 3.76Å; F300-F361 AromaticContact CE1-CD2 3.95Å; F300-F361 HydrophobicContact CE1-CD2 3.95Å; F300-F361 AromaticContact CE1-CG 3.83Å; F300-F361 HydrophobicContact CE1-CG 3.83Å; F300-F361 HydrophobicContact CZ-CB 4.14Å; F300-F361 HydrophobicContact CZ-CD1 4.12Å; F300-F361 HydrophobicContact CZ-CD2 4.17Å; F300-F361 AromaticContact CZ-CG 3.89Å; F300-F361 HydrophobicContact CZ-CG 3.89Å; V320-F361 HydrophobicContact CB-CB 4.31Å; V320-F361 PolarHBondContact N-O 2.93Å; V320-F361 WeakPolarHBondContact O-CD2 3.49Å; V320-F361 PolarHBondContact O-N 3.46Å; V322-F361 HydrophobicContact CB-CE2 4.18Å; V322-F361 HydrophobicContact CG2-CD2 4.12Å; V322-F361 HydrophobicContact CG2-CE2 3.77Å; F333-F361 HydrophobicContact CE1-CZ 4.03Å; F333-F361 HydrophobicContact CZ-CZ 4Å; T344-F361 HydrophobicContact CG2-CD1 4.32Å; T344-F361 HydrophobicContact CG2-CE1 3.57Å; T344-F361 HydrophobicContact CG2-CZ 4.41Å; V359-F361 HydrophobicContact CB-CE2 4.15Å; V359-F361 HydrophobicContact CB-CZ 4.27Å; V359-F361 HydrophobicContact CG1-CD1 4.36Å; V359-F361 HydrophobicContact CG1-CD2 4.27Å; V359-F361 HydrophobicContact CG1-CE1 3.84Å; V359-F361 HydrophobicContact CG1-CE2 3.71Å; V359-F361 HydrophobicContact CG1-CZ 3.47Å; V359-F361 VanDerWaalsContact CG1-CZ 3.47Å; F361-I379 HydrophobicContact CD1-CD1 4.37Å; F361-I379 HydrophobicContact CE1-CD1 3.63Å; F361-I379 HydrophobicContact CE1-CG1 4.15Å; F361-I379 HydrophobicContact CE2-CD1 4.22Å; F361-I379 HydrophobicContact CZ-CD1 3.54Å; F361-I379 HydrophobicContact CZ-CG1 3.9Å
362	C	96.6	Very high	94.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.4	175.4	-67.8	0	0	0	0	108.5	L24 S26 Y27 Y29 P318	L24-C362 PolarHBondContact O-N 2.93Å; S26-C362 WeakPolarHBondContact O-CB 3.28Å; Y27-C362 HydrophobicContact CD1-CB 4.43Å; Y27-C362 VanDerWaalsContact CD1-SG 3.52Å; Y29-C362 HydrophobicContact CE1-CB 4.12Å; P318-C362 WeakPolarHBondContact O-CA 3.24Å
363	I	97.4	Very high	94.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.			trans	-95.5	141.9	-174.5	-52.4	-58.8	0	0	0	110.1	L24 Y29 L293 N296 I297 F300 P318 V320 L372	L24-I363 HydrophobicContact CD2-CD1 4.49Å; Y29-I363 WeakPolarHBondContact CD1-O 3.38Å; L293-I363 HydrophobicContact CD1-CG2 4.48Å; L293-I363 VanDerWaalsContact CD1-O 3.32Å; L293-I363 WeakPolarHBondContact CD1-O 3.2Å; N296-I363 HydrophobicContact CB-CG2 3.6Å; I297-I363 HydrophobicContact CG1-CB 3.94Å; I297-I363 HydrophobicContact CG1-CG1 4.49Å; I297-I363 HydrophobicContact CG1-CG2 4.05Å; F300-I363 HydrophobicContact CB-CD1 4.02Å; F300-I363 HydrophobicContact CB-CG1 4.42Å; F300-I363 HydrophobicContact CD1-CD1 3.52Å; F300-I363 HydrophobicContact CD1-CG1 4.17Å; F300-I363 HydrophobicContact CD2-CD1 4.05Å; F300-I363 HydrophobicContact CE1-CD1 3.87Å; F300-I363 HydrophobicContact CE2-CD1 4.39Å; F300-I363 HydrophobicContact CG-CD1 3.59Å; F300-I363 HydrophobicContact CG-CG1 4.38Å; F300-I363 HydrophobicContact CZ-CD1 4.3Å; P318-I363 PolarHBondContact O-N 2.99Å; P318-I363 VanDerWaalsContact O-N 3.12Å; V320-I363 HydrophobicContact CG2-CG1 4.06Å; I363-L372 HydrophobicContact CD1-CD2 4.39Å
364	S	97.1	Very high	95.3	Very high	5 Å²	5	43.3 Å²	43.3	4%	0.035	22%	0.218	C	C	.	.			trans	-121.2	151.7	-179.9	-177.8	0	0	0	0	110.9	N28 Y29 N296 A366 H367	N28-S364 VanDerWaalsContact O-CB 3.27Å; N28-S364 WeakPolarHBondContact O-CB 3.45Å; N28-S364 PolarHBondContact O-OG 3.41Å; Y29-S364 CarbonylContact O-C 3.48Å; Y29-S364 WeakPolarHBondContact O-CA 3.5Å; N296-S364 PolarHBondContact ND2-O 2.99Å; S364-A366 PolarHBondContact O-N 2.99Å; S364-A366 PolarHBondContact OG-N 3.3Å; S364-A366 VanDerWaalsContact OG-N 3.09Å; S364-H367 PolarHBondContact N-CE1 2.87Å; S364-H367 PolarHBondContact N-ND1 3.46Å; S364-H367 PolarHBondContact O-N 3.32Å
365	S	96.5	Very high	95.8	Very high	11 Å²	11	38.3 Å²	38.3	8%	0.077	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.5	165.8	65.8	0	0	0	0	112.7	Y29 L30 R289 C292 H367	Y29-S365 PolarHBondContact O-N 2.68Å; Y29-S365 PolarHBondContact O-OG 3.18Å; L30-S365 WeakPolarHBondContact CA-OG 3.5Å; L30-S365 PolarHBondContact O-OG 3.44Å; R289-S365 VanDerWaalsContact O-CB 3.22Å; R289-S365 WeakPolarHBondContact O-CB 3.35Å; C292-S365 PolarHBondContact SG-O 2.79Å; S365-H367 VanDerWaalsContact C-N 3.34Å
366	A	94.6	Very high	96.3	Very high	45 Å²	45	31.9 Å²	31.9	37%	0.372	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-13.2	178	0	0	0	0	0	113.1	S364 T368	S364-A366 PolarHBondContact O-N 2.99Å; S364-A366 PolarHBondContact OG-N 3.3Å; S364-A366 VanDerWaalsContact OG-N 3.09Å; A366-T368 PolarHBondContact O-N 3.43Å
367	H	95.9	Very high	96.6	Very high	19 Å²	19	32.7 Å²	32.7	9%	0.088	16%	0.163	C	C	.	.			trans	-73.1	118	174.9	-61.1	138.5	0	0	0	109.6	N23 L24 N296 S364 S365 L372	N23-H367 PolarHBondContact O-NE2 3.39Å; N23-H367 VanDerWaalsContact O-NE2 3.11Å; L24-H367 WeakPolarHBondContact CD2-CE1 3.48Å; N296-H367 PolarHBondContact ND2-O 3.25Å; S364-H367 PolarHBondContact N-CE1 2.87Å; S364-H367 PolarHBondContact N-ND1 3.46Å; S364-H367 PolarHBondContact O-N 3.32Å; S365-H367 VanDerWaalsContact C-N 3.34Å; H367-L372 HydrophobicContact CB-CD1 4.49Å; H367-L372 HydrophobicContact CB-CD2 3.8Å; H367-L372 HydrophobicContact CB-CG 3.99Å
368	T	96.2	Very high	96.8	Very high	65 Å²	65	33.3 Å²	33.3	40%	0.399	17%	0.166	S	C	.	.			trans	-76.5	164.4	172.7	78.3	0	0	0	0	110.6	A366 E370 L371 L372	A366-T368 PolarHBondContact O-N 3.43Å; T368-E370 VanDerWaalsContact C-N 3.25Å; T368-E370 WeakPolarHBondContact CB-OE2 3.29Å; T368-E370 PolarHBondContact O-N 3.11Å; T368-E370 PolarHBondContact OG1-OE2 3.38Å; T368-L371 PolarHBondContact O-N 2.66Å; T368-L371 VanDerWaalsContact O-N 3.16Å; T368-L371 PolarHBondContact OG1-N 3.09Å; T368-L372 WeakPolarHBondContact O-CG 3.32Å; T368-L372 PolarHBondContact O-N 3.13Å
369	R	94.9	Very high	96.9	Very high	80 Å²	80	33.2 Å²	33.2	30%	0.302	17%	0.166	S	C	.	.	H	α-helix	trans	-58.1	-41.1	178.7	-170.4	55	143.3	-136	-1.2	111.7	Y299 L371 L372 D373 D406	Y299-R369 VanDerWaalsContact CD1-CZ 3.45Å; Y299-R369 VanDerWaalsContact CE1-CD 3.43Å; Y299-R369 VanDerWaalsContact CZ-NE 3.31Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-L371 PolarHBondContact O-N 3.11Å; R369-L372 PolarHBondContact O-N 3.32Å; R369-D373 WeakPolarHBondContact O-CB 3.5Å; R369-D373 VanDerWaalsContact O-CG 3.27Å; R369-D373 PolarHBondContact O-N 3.01Å; R369-D406 IonicContact CZ-OD2 3.63Å; R369-D406 IonicContact NE-OD2 3.73Å; R369-D406 PolarHBondContact NE-OD2 2.87Å; R369-D406 IonicContact NH2-OD2 2.85Å; R369-D406 PolarHBondContact NH2-OD2 3.11Å
370	E	96.6	Very high	97	Very high	133 Å²	133	35 Å²	35	62%	0.621	18%	0.175	S	C	*	.	H	α-helix	trans	-64.4	-38.3	179.3	-54.2	71.7	-153.2	0	0	111.7	T368 R374	T368-E370 VanDerWaalsContact C-N 3.25Å; T368-E370 WeakPolarHBondContact CB-OE2 3.29Å; T368-E370 PolarHBondContact O-N 3.11Å; T368-E370 PolarHBondContact OG1-OE2 3.38Å; E370-R374 WeakPolarHBondContact O-CB 3.47Å; E370-R374 PolarHBondContact O-N 3.43Å
371	L	96.8	Very high	97.1	Very high	64 Å²	64	38.3 Å²	38.3	34%	0.335	19%	0.191	S	C	.	.	H	α-helix	trans	-67.8	-42.9	175	-67.8	179.5	0	0	0	111.4	L22 T368 R369 R374 A375	L22-L371 HydrophobicContact CD1-CB 4.18Å; L22-L371 HydrophobicContact CD1-CD1 4.28Å; L22-L371 HydrophobicContact CD1-CD2 4.28Å; L22-L371 HydrophobicContact CD1-CG 4.49Å; L22-L371 HydrophobicContact CD2-CB 4.26Å; L22-L371 WeakPolarHBondContact CD2-O 3.33Å; T368-L371 PolarHBondContact O-N 2.66Å; T368-L371 VanDerWaalsContact O-N 3.16Å; T368-L371 PolarHBondContact OG1-N 3.09Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-L371 PolarHBondContact O-N 3.11Å; L371-R374 PolarHBondContact O-N 3.46Å; L371-A375 PolarHBondContact O-N 3.32Å
372	L	97.7	Very high	97.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-43.7	176.2	-66.9	176.5	0	0	0	111.2	N296 Y299 F300 I363 H367 T368 R369 R374 A375 L376	N296-L372 HydrophobicContact CB-CD1 3.81Å; Y299-L372 HydrophobicContact CD1-CB 4.4Å; Y299-L372 HydrophobicContact CD1-CD1 4.17Å; Y299-L372 HydrophobicContact CE1-CB 4.3Å; F300-L372 HydrophobicContact CD2-CD2 4.05Å; I363-L372 HydrophobicContact CD1-CD2 4.39Å; H367-L372 HydrophobicContact CB-CD1 4.49Å; H367-L372 HydrophobicContact CB-CD2 3.8Å; H367-L372 HydrophobicContact CB-CG 3.99Å; T368-L372 WeakPolarHBondContact O-CG 3.32Å; T368-L372 PolarHBondContact O-N 3.13Å; R369-L372 PolarHBondContact O-N 3.32Å; L372-R374 VanDerWaalsContact C-N 3.35Å; L372-R374 PolarHBondContact O-N 3.46Å; L372-A375 WeakPolarHBondContact O-CB 3.48Å; L372-A375 PolarHBondContact O-N 3.29Å; L372-L376 VanDerWaalsContact O-CB 3.32Å; L372-L376 WeakPolarHBondContact O-CB 3.22Å; L372-L376 WeakPolarHBondContact O-CD1 3.2Å; L372-L376 WeakPolarHBondContact O-CG 3.41Å; L372-L376 PolarHBondContact O-N 3.04Å
373	D	97.6	Very high	97.1	Very high	44 Å²	44	38.3 Å²	38.3	24%	0.235	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-42.4	177.1	-71.7	-23.2	0	0	0	111.9	Y299 R303 R369 A375 L376 N377	Y299-D373 WeakPolarHBondContact CE1-OD1 3.3Å; Y299-D373 PolarHBondContact OH-OD1 3.46Å; R303-D373 IonicContact NH1-OD1 3.89Å; R369-D373 WeakPolarHBondContact O-CB 3.5Å; R369-D373 VanDerWaalsContact O-CG 3.27Å; R369-D373 PolarHBondContact O-N 3.01Å; D373-A375 PolarHBondContact O-N 2.66Å; D373-L376 PolarHBondContact O-N 2.81Å; D373-N377 WeakPolarHBondContact O-CB 3.38Å; D373-N377 PolarHBondContact O-N 3.44Å; D373-N377 PolarHBondContact O-ND2 2.62Å
374	R	97.6	Very high	97	Very high	127 Å²	127	43.7 Å²	43.7	48%	0.479	22%	0.216	S	C	.	.	H	α-helix	trans	-60.4	-45.8	173.5	-177.8	-179.7	169.8	-168.4	-3.5	111.6	E370 L371 L372 L376 N377 I378	E370-R374 WeakPolarHBondContact O-CB 3.47Å; E370-R374 PolarHBondContact O-N 3.43Å; L371-R374 PolarHBondContact O-N 3.46Å; L372-R374 VanDerWaalsContact C-N 3.35Å; L372-R374 PolarHBondContact O-N 3.46Å; R374-L376 VanDerWaalsContact C-N 3.35Å; R374-N377 PolarHBondContact O-N 3.32Å; R374-I378 HydrophobicContact CG-CD1 4.24Å; R374-I378 WeakPolarHBondContact O-CG1 3.29Å; R374-I378 PolarHBondContact O-N 2.83Å; R374-I378 VanDerWaalsContact O-N 3.17Å
375	A	98	Very high	97	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.3	-45.2	176.9	0	0	0	0	0	111.7	L22 L24 F300 L342 L371 L372 D373 I378 I379	L22-A375 HydrophobicContact CD2-CB 3.74Å; L24-A375 HydrophobicContact CD1-CB 3.67Å; F300-A375 HydrophobicContact CE2-CB 4.48Å; L342-A375 HydrophobicContact CD1-CB 3.84Å; L342-A375 HydrophobicContact CD2-CB 4.32Å; L371-A375 PolarHBondContact O-N 3.32Å; L372-A375 WeakPolarHBondContact O-CB 3.48Å; L372-A375 PolarHBondContact O-N 3.29Å; D373-A375 PolarHBondContact O-N 2.66Å; A375-I378 PolarHBondContact O-N 3.04Å; A375-I379 WeakPolarHBondContact O-CD1 3.48Å; A375-I379 VanDerWaalsContact O-CG1 3.22Å; A375-I379 WeakPolarHBondContact O-CG1 3.38Å; A375-I379 PolarHBondContact O-N 3.47Å
376	L	98	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.4	-42.6	179.8	-75.6	167.1	0	0	0	111.6	Y299 F300 R303 L304 M307 L372 D373 R374 I378 I379 D380	Y299-L376 HydrophobicContact CD1-CD1 4.43Å; Y299-L376 HydrophobicContact CE1-CD1 3.8Å; F300-L376 HydrophobicContact CD2-CD1 4.21Å; F300-L376 HydrophobicContact CD2-CD2 3.69Å; F300-L376 HydrophobicContact CD2-CG 3.83Å; F300-L376 HydrophobicContact CE2-CD2 3.67Å; F300-L376 HydrophobicContact CE2-CG 3.89Å; F300-L376 HydrophobicContact CG-CD2 4.41Å; F300-L376 HydrophobicContact CZ-CD2 4.39Å; R303-L376 HydrophobicContact CB-CD1 3.56Å; R303-L376 HydrophobicContact CB-CD2 3.65Å; R303-L376 HydrophobicContact CB-CG 4.21Å; R303-L376 HydrophobicContact CG-CD1 3.65Å; L304-L376 HydrophobicContact CD2-CD2 4.1Å; L304-L376 HydrophobicContact CG-CD2 4.3Å; M307-L376 HydrophobicContact CE-CB 3.75Å; M307-L376 HydrophobicContact CE-CD2 3.78Å; M307-L376 HydrophobicContact CE-CG 4.34Å; M307-L376 VanDerWaalsContact CE-O 3.29Å; M307-L376 WeakPolarHBondContact CE-O 3.37Å; M307-L376 HydrophobicContact SD-CD2 4.48Å; L372-L376 VanDerWaalsContact O-CB 3.32Å; L372-L376 WeakPolarHBondContact O-CB 3.22Å; L372-L376 WeakPolarHBondContact O-CD1 3.2Å; L372-L376 WeakPolarHBondContact O-CG 3.41Å; L372-L376 PolarHBondContact O-N 3.04Å; D373-L376 PolarHBondContact O-N 2.81Å; R374-L376 VanDerWaalsContact C-N 3.35Å; L376-I378 VanDerWaalsContact C-N 3.33Å; L376-I378 PolarHBondContact O-N 3.45Å; L376-I379 PolarHBondContact O-N 3.26Å; L376-D380 WeakPolarHBondContact O-CB 3.46Å; L376-D380 PolarHBondContact O-N 3.31Å
377	N	98	Very high	97	Very high	76 Å²	76	48.9 Å²	48.9	41%	0.406	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-40.2	175.7	-68.6	-17.9	0	0	0	112	D373 R374 D380 Q381	D373-N377 WeakPolarHBondContact O-CB 3.38Å; D373-N377 PolarHBondContact O-N 3.44Å; D373-N377 PolarHBondContact O-ND2 2.62Å; R374-N377 PolarHBondContact O-N 3.32Å; N377-D380 PolarHBondContact O-N 3.32Å; N377-Q381 WeakPolarHBondContact O-CB 2.99Å; N377-Q381 PolarHBondContact O-N 2.97Å
378	I	98.2	Very high	96.9	Very high	14 Å²	14	48 Å²	48	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-64.6	-46.3	174.7	-67.7	166.8	0	0	0	110.5	C337 L340 L342 R374 A375 L376 D380 Q381 V382	C337-I378 HydrophobicContact CB-CG2 4.42Å; L340-I378 HydrophobicContact CB-CD1 4.17Å; L340-I378 HydrophobicContact CB-CG1 4.03Å; L340-I378 HydrophobicContact CB-CG2 3.75Å; L340-I378 HydrophobicContact CD1-CG2 3.91Å; L340-I378 HydrophobicContact CG-CG2 4.49Å; L340-I378 VanDerWaalsContact O-CD1 3.23Å; L340-I378 WeakPolarHBondContact O-CD1 3.38Å; L342-I378 HydrophobicContact CB-CD1 3.96Å; L342-I378 HydrophobicContact CB-CG2 3.99Å; L342-I378 HydrophobicContact CD2-CB 4.28Å; L342-I378 HydrophobicContact CD2-CG2 3.95Å; R374-I378 HydrophobicContact CG-CD1 4.24Å; R374-I378 WeakPolarHBondContact O-CG1 3.29Å; R374-I378 PolarHBondContact O-N 2.83Å; R374-I378 VanDerWaalsContact O-N 3.17Å; A375-I378 PolarHBondContact O-N 3.04Å; L376-I378 VanDerWaalsContact C-N 3.33Å; L376-I378 PolarHBondContact O-N 3.45Å; I378-D380 VanDerWaalsContact C-N 3.29Å; I378-D380 PolarHBondContact O-N 3.25Å; I378-Q381 PolarHBondContact O-N 3.2Å; I378-V382 HydrophobicContact CG2-CG2 4.43Å; I378-V382 VanDerWaalsContact O-CG2 3.31Å; I378-V382 WeakPolarHBondContact O-CG2 3.32Å; I378-V382 PolarHBondContact O-N 2.71Å
379	I	98.2	Very high	96.9	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-42.2	178.4	-68.8	162.3	0	0	0	110.3	F300 L304 M307 L309 F333 L342 F361 A375 L376 V382 A383	F300-I379 HydrophobicContact CE2-CD1 3.99Å; F300-I379 HydrophobicContact CZ-CD1 3.64Å; L304-I379 HydrophobicContact CD2-CD1 4.4Å; L304-I379 HydrophobicContact CD2-CG2 3.89Å; M307-I379 HydrophobicContact SD-CG2 4.28Å; L309-I379 HydrophobicContact CD1-CG2 3.83Å; F333-I379 HydrophobicContact CZ-CG1 4.39Å; F333-I379 HydrophobicContact CZ-CG2 4.35Å; L342-I379 HydrophobicContact CD2-CD1 4.2Å; L342-I379 HydrophobicContact CD2-CG1 3.79Å; F361-I379 HydrophobicContact CD1-CD1 4.37Å; F361-I379 HydrophobicContact CE1-CD1 3.63Å; F361-I379 HydrophobicContact CE1-CG1 4.15Å; F361-I379 HydrophobicContact CE2-CD1 4.22Å; F361-I379 HydrophobicContact CZ-CD1 3.54Å; F361-I379 HydrophobicContact CZ-CG1 3.9Å; A375-I379 WeakPolarHBondContact O-CD1 3.48Å; A375-I379 VanDerWaalsContact O-CG1 3.22Å; A375-I379 WeakPolarHBondContact O-CG1 3.38Å; A375-I379 PolarHBondContact O-N 3.47Å; L376-I379 PolarHBondContact O-N 3.26Å; I379-V382 PolarHBondContact O-N 2.72Å; I379-A383 WeakPolarHBondContact O-CB 3.24Å; I379-A383 PolarHBondContact O-N 2.82Å
380	D	97.5	Very high	96.7	Very high	38 Å²	38	48 Å²	48	20%	0.203	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-46.7	179.7	-167.4	46.3	0	0	0	111.9	M307 L376 N377 I378 A383 E384 R389	M307-D380 HydrophobicContact CE-CB 3.87Å; M307-D380 HydrophobicContact CG-CB 4.37Å; M307-D380 WeakPolarHBondContact CG-OD1 3.1Å; M307-D380 HydrophobicContact SD-CB 3.96Å; L376-D380 WeakPolarHBondContact O-CB 3.46Å; L376-D380 PolarHBondContact O-N 3.31Å; N377-D380 PolarHBondContact O-N 3.32Å; I378-D380 VanDerWaalsContact C-N 3.29Å; I378-D380 PolarHBondContact O-N 3.25Å; D380-A383 PolarHBondContact O-N 2.81Å; D380-E384 PolarHBondContact O-N 2.95Å; D380-R389 PolarHBondContact O-NH2 3.23Å; D380-R389 IonicContact OD1-CZ 2.8Å; D380-R389 IonicContact OD1-NE 3.26Å; D380-R389 IonicContact OD1-NH2 3.91Å; D380-R389 PolarHBondContact OD1-NH2 3.45Å; D380-R389 IonicContact OD2-NH2 2.79Å; D380-R389 PolarHBondContact OD2-NH2 3.46Å
381	Q	97.9	Very high	96.6	Very high	81 Å²	81	42.8 Å²	42.8	38%	0.379	21%	0.211	S	C	.	.	H	α-helix	trans	-58.5	-51.2	175.5	-179.2	-176.8	-12	0	0	111.3	N377 I378 A383 E384 E385	N377-Q381 WeakPolarHBondContact O-CB 2.99Å; N377-Q381 PolarHBondContact O-N 2.97Å; I378-Q381 PolarHBondContact O-N 3.2Å; Q381-A383 VanDerWaalsContact C-N 3.28Å; Q381-A383 PolarHBondContact O-N 2.49Å; Q381-E384 PolarHBondContact O-N 3.18Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.48Å; Q381-E385 PolarHBondContact NE2-OE1 3.31Å; Q381-E385 WeakPolarHBondContact O-CG 3.42Å; Q381-E385 PolarHBondContact O-N 2.94Å
382	V	97.4	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.2	-33.1	-179.2	178.1	0	0	0	0	111.4	F333 R336 L340 I378 I379 E384 E385 L386	F333-V382 HydrophobicContact CB-CG1 4.49Å; F333-V382 HydrophobicContact CD2-CG1 3.57Å; F333-V382 HydrophobicContact CE2-CB 4.38Å; F333-V382 HydrophobicContact CE2-CG1 3.91Å; F333-V382 HydrophobicContact CG-CG1 4.11Å; R336-V382 HydrophobicContact CB-CG1 4.16Å; R336-V382 HydrophobicContact CB-CG2 4.07Å; R336-V382 HydrophobicContact CG-CB 4.5Å; R336-V382 HydrophobicContact CG-CG1 4.25Å; R336-V382 HydrophobicContact CG-CG2 3.56Å; L340-V382 HydrophobicContact CD1-CG2 3.78Å; I378-V382 HydrophobicContact CG2-CG2 4.43Å; I378-V382 VanDerWaalsContact O-CG2 3.31Å; I378-V382 WeakPolarHBondContact O-CG2 3.32Å; I378-V382 PolarHBondContact O-N 2.71Å; I379-V382 PolarHBondContact O-N 2.72Å; V382-E384 VanDerWaalsContact C-N 3.34Å; V382-E385 PolarHBondContact O-N 3.21Å; V382-L386 HydrophobicContact CG1-CD1 3.74Å; V382-L386 HydrophobicContact CG1-CG 4.18Å; V382-L386 WeakPolarHBondContact O-CB 3.46Å; V382-L386 WeakPolarHBondContact O-CG 3.42Å; V382-L386 PolarHBondContact O-N 3.28Å
383	A	96.8	Very high	96.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-37.9	177.6	0	0	0	0	0	112.6	L309 I379 D380 Q381 G387 I388 R389	L309-A383 HydrophobicContact CD2-CB 3.93Å; I379-A383 WeakPolarHBondContact O-CB 3.24Å; I379-A383 PolarHBondContact O-N 2.82Å; D380-A383 PolarHBondContact O-N 2.81Å; Q381-A383 VanDerWaalsContact C-N 3.28Å; Q381-A383 PolarHBondContact O-N 2.49Å; A383-G387 PolarHBondContact O-N 3.48Å; A383-G387 VanDerWaalsContact O-N 3.1Å; A383-I388 HydrophobicContact CB-CD1 4.14Å; A383-I388 HydrophobicContact CB-CG1 3.81Å; A383-I388 PolarHBondContact O-N 2.77Å; A383-R389 HydrophobicContact CB-CG 4.31Å
384	E	96.2	Very high	95.9	Very high	113 Å²	113	56.9 Å²	56.9	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-52.7	172.1	-172.1	66.8	-165.7	0	0	110.9	D380 Q381 V382 L386 G387 R389	D380-E384 PolarHBondContact O-N 2.95Å; Q381-E384 PolarHBondContact O-N 3.18Å; V382-E384 VanDerWaalsContact C-N 3.34Å; E384-L386 PolarHBondContact O-N 3.24Å; E384-G387 PolarHBondContact O-N 2.69Å; E384-R389 IonicContact OE2-CZ 3.9Å; E384-R389 IonicContact OE2-NE 2.74Å; E384-R389 IonicContact OE2-NH1 2.9Å; E384-R389 PolarHBondContact OE2-NH1 3.02Å; E384-R389 IonicContact OE2-NH2 3.21Å; E384-R389 PolarHBondContact OE2-NH2 3.43Å
385	E	96.1	Very high	95.7	Very high	96 Å²	96	51.5 Å²	51.5	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-54.4	-39.6	-179.6	-73.3	176.7	-170.7	0	0	112	R336 Q381 V382	R336-E385 WeakPolarHBondContact CG-OE2 3.42Å; R336-E385 IonicContact CZ-OE1 2.74Å; R336-E385 IonicContact CZ-OE2 2.69Å; R336-E385 IonicContact NE-OE1 3.25Å; R336-E385 IonicContact NE-OE2 3.88Å; R336-E385 PolarHBondContact NE-OE2 3.45Å; R336-E385 IonicContact NH2-OE1 2.77Å; R336-E385 PolarHBondContact NH2-OE1 3.1Å; R336-E385 IonicContact NH2-OE2 3.42Å; Q381-E385 WeakPolarHBondContact CG-OE1 3.48Å; Q381-E385 PolarHBondContact NE2-OE1 3.31Å; Q381-E385 WeakPolarHBondContact O-CG 3.42Å; Q381-E385 PolarHBondContact O-N 2.94Å; V382-E385 PolarHBondContact O-N 3.21Å
386	L	95.6	Very high	95.5	Very high	32 Å²	32	51.8 Å²	51.8	17%	0.168	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-5.4	-179.4	-61.6	-178.7	0	0	0	114.1	K329 T332 F333 V382 E384 I388	K329-L386 WeakPolarHBondContact CE-O 3.35Å; K329-L386 PolarHBondContact NZ-O 3.43Å; T332-L386 HydrophobicContact CG2-CD2 3.65Å; F333-L386 HydrophobicContact CB-CD1 3.76Å; F333-L386 HydrophobicContact CD2-CD1 4.07Å; F333-L386 HydrophobicContact CG-CD1 4.41Å; V382-L386 HydrophobicContact CG1-CD1 3.74Å; V382-L386 HydrophobicContact CG1-CG 4.18Å; V382-L386 WeakPolarHBondContact O-CB 3.46Å; V382-L386 WeakPolarHBondContact O-CG 3.42Å; V382-L386 PolarHBondContact O-N 3.28Å; E384-L386 PolarHBondContact O-N 3.24Å; L386-I388 HydrophobicContact CB-CG2 3.99Å
387	G	95.5	Very high	95.3	Very high	43 Å²	43	55.9 Å²	55.9	44%	0.443	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	55.2	-175.6	0	0	0	0	0	112.7	K329 A383 E384 Y390	K329-G387 PolarHBondContact NZ-O 3.42Å; A383-G387 PolarHBondContact O-N 3.48Å; A383-G387 VanDerWaalsContact O-N 3.1Å; E384-G387 PolarHBondContact O-N 2.69Å; G387-Y390 WeakPolarHBondContact O-CE1 3.38Å
388	I	95.1	Very high	95.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.			trans	-107.9	9.8	179.8	61	163.9	0	0	0	114	L309 V324 K329 F333 A383 L386 Y390	L309-I388 HydrophobicContact CD2-CD1 3.95Å; L309-I388 HydrophobicContact CD2-CG1 3.9Å; V324-I388 HydrophobicContact CG1-CG2 4.36Å; K329-I388 HydrophobicContact CD-CG2 3.59Å; F333-I388 HydrophobicContact CD2-CD1 3.83Å; F333-I388 HydrophobicContact CE2-CD1 3.8Å; A383-I388 HydrophobicContact CB-CD1 4.14Å; A383-I388 HydrophobicContact CB-CG1 3.81Å; A383-I388 PolarHBondContact O-N 2.77Å; L386-I388 HydrophobicContact CB-CG2 3.99Å; I388-Y390 HydrophobicContact CB-CE2 4.01Å; I388-Y390 HydrophobicContact CG2-CE2 4.2Å; I388-Y390 WeakPolarHBondContact O-CD2 3.47Å; I388-Y390 PolarHBondContact O-N 2.9Å
389	R	94.7	Very high	94.9	Very high	68 Å²	68	53.8 Å²	53.8	26%	0.257	27%	0.265	S	S	.	.			trans	-75	65.2	175.1	-63.2	-169.1	178.1	156	6.7	111.4	M307 R308 D380 A383 E384	M307-R389 VanDerWaalsContact O-CD 3.3Å; M307-R389 WeakPolarHBondContact O-CD 3.23Å; M307-R389 VanDerWaalsContact O-CG 3.26Å; M307-R389 WeakPolarHBondContact O-CG 3.47Å; R308-R389 HydrophobicContact CB-CB 4.19Å; R308-R389 CarbonylContact O-C 3.54Å; R308-R389 WeakPolarHBondContact O-CA 3.48Å; D380-R389 PolarHBondContact O-NH2 3.23Å; D380-R389 IonicContact OD1-CZ 2.8Å; D380-R389 IonicContact OD1-NE 3.26Å; D380-R389 IonicContact OD1-NH2 3.91Å; D380-R389 PolarHBondContact OD1-NH2 3.45Å; D380-R389 IonicContact OD2-NH2 2.79Å; D380-R389 PolarHBondContact OD2-NH2 3.46Å; A383-R389 HydrophobicContact CB-CG 4.31Å; E384-R389 IonicContact OE2-CZ 3.9Å; E384-R389 IonicContact OE2-NE 2.74Å; E384-R389 IonicContact OE2-NH1 2.9Å; E384-R389 PolarHBondContact OE2-NH1 3.02Å; E384-R389 IonicContact OE2-NH2 3.21Å; E384-R389 PolarHBondContact OE2-NH2 3.43Å
390	Y	92.4	Very high	94.6	Very high	76 Å²	76	56.8 Å²	56.8	30%	0.298	28%	0.278	S	S	.	.			trans	-82.5	-21.1	-170.4	-56.1	-45.4	0	0	0	114.6	R308 I310 V324 C325 K329 G387 I388 K392	R308-Y390 PolarHBondContact O-N 3.13Å; I310-Y390 HydrophobicContact CD1-CD2 4.31Å; V324-Y390 WeakPolarHBondContact O-CE2 3.39Å; V324-Y390 PolarHBondContact O-OH 2.87Å; C325-Y390 HydrophobicContact CB-CE2 4.22Å; K329-Y390 PolarHBondContact NZ-OH 3.24Å; G387-Y390 WeakPolarHBondContact O-CE1 3.38Å; I388-Y390 HydrophobicContact CB-CE2 4.01Å; I388-Y390 HydrophobicContact CG2-CE2 4.2Å; I388-Y390 WeakPolarHBondContact O-CD2 3.47Å; I388-Y390 PolarHBondContact O-N 2.9Å; Y390-K392 PolarHBondContact O-N 2.95Å
391	S	93.7	Very high	94.3	Very high	24 Å²	24	59.8 Å²	59.8	17%	0.168	29%	0.29	C	S	.	.			trans	-71.9	119.5	-169.9	-172.9	0	0	0	0	111.5	R308 Q393	R308-S391 VanDerWaalsContact O-CB 3.28Å; R308-S391 WeakPolarHBondContact O-CB 3.43Å; R308-S391 PolarHBondContact O-N 3.34Å; S391-Q393 PolarHBondContact OG-N 3.3Å
392	K	93.2	Very high	94	Very high	203 Å²	203	57.5 Å²	57.5	88%	0.883	28%	0.282	S	S	*	.			trans	-99.2	-1.7	170.2	-62.1	-175.3	179.6	-178.6	0	112.8	Y390	Y390-K392 PolarHBondContact O-N 2.95Å
393	Q	91.3	Very high	93.7	Very high	122 Å²	122	58.3 Å²	58.3	57%	0.57	29%	0.286	S	S	*	.	S	Bend	trans	-67.9	149.3	178.8	-66.2	-63.7	-18	0	0	110.3	R308 S391	R308-Q393 PolarHBondContact NH1-O 3.02Å; S391-Q393 PolarHBondContact OG-N 3.3Å
394	P	92.4	Very high	93.3	Very high	81 Å²	81	66 Å²	66	53%	0.526	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-60.3	151.2	170.6	27.8	-33.8	0	0	0	110.1
395	I	93.2	Very high	92.7	Very high	13 Å²	13	68.6 Å²	68.6	7%	0.067	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-63.4	130.3	172.1	-61.2	172.7	0	0	0	107.6	H305 A399 K400 L403 L416	H305-I395 HydrophobicContact CB-CG2 4.38Å; I395-A399 HydrophobicContact CG2-CB 3.8Å; I395-K400 HydrophobicContact CB-CG 4.24Å; I395-K400 HydrophobicContact CG2-CG 3.89Å; I395-K400 WeakPolarHBondContact O-CE 3.17Å; I395-L403 HydrophobicContact CG2-CD1 4.41Å; I395-L416 HydrophobicContact CD1-CD2 4.48Å
396	P	93.7	Very high	91.8	Very high	6 Å²	6	65.5 Å²	65.5	4%	0.039	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-56.4	144.4	177.7	-26.8	35	0	0	0	112	W398 A399 K400	P396-W398 VanDerWaalsContact C-N 3.32Å; P396-W398 HydrophobicContact CB-CD2 4.49Å; P396-W398 HydrophobicContact CB-CG 4.39Å; P396-W398 HydrophobicContact CB-CZ2 4.39Å; P396-W398 VanDerWaalsContact CB-NE1 3.31Å; P396-W398 HydrophobicContact CG-CZ2 4.5Å; P396-W398 PolarHBondContact O-N 2.76Å; P396-A399 HydrophobicContact CB-CB 4.33Å; P396-A399 WeakPolarHBondContact O-CA 3.43Å; P396-A399 WeakPolarHBondContact O-CB 3.49Å; P396-A399 PolarHBondContact O-N 2.97Å; P396-K400 PolarHBondContact O-N 3.33Å; P396-K400 VanDerWaalsContact O-N 3.14Å
397	E	94.1	Very high	90	Very high	86 Å²	86	73.5 Å²	73.5	40%	0.402	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-40.4	-173.5	-163.2	66.4	-174.2	0	0	112.4	A399 K400 E401 S422	E397-A399 PolarHBondContact O-N 2.9Å; E397-K400 WeakPolarHBondContact O-CB 3.49Å; E397-K400 PolarHBondContact O-N 3.48Å; E397-K400 VanDerWaalsContact O-N 3.15Å; E397-K400 WeakPolarHBondContact OE2-CD 3.37Å; E397-K400 IonicContact OE2-NZ 3.58Å; E397-K400 PolarHBondContact OE2-NZ 3.06Å; E397-E401 PolarHBondContact O-N 3.16Å; E397-E401 VanDerWaalsContact O-N 3.11Å; E397-S422 PolarHBondContact OE1-OG 2.88Å
398	W	94.1	Very high	88	Confident	47 Å²	47	75.1 Å²	75.1	18%	0.178	35%	0.35	C	S	.	.	H	α-helix	trans	-60.5	-31.6	175.2	67.4	-100.4	0	0	0	112.5	R301 A302 H305 R315 P396 V402	R301-W398 HydrophobicContact CB-CH2 3.87Å; A302-W398 HydrophobicContact CB-CZ3 4.35Å; H305-W398 AromaticContact NE2-CZ2 3.97Å; R315-W398 HydrophobicContact CB-CD2 4.27Å; R315-W398 HydrophobicContact CB-CH2 4.49Å; R315-W398 HydrophobicContact CB-CZ2 4.2Å; R315-W398 HydrophobicContact CG-CD2 3.66Å; R315-W398 HydrophobicContact CG-CE3 3.55Å; R315-W398 HydrophobicContact CG-CG 4.33Å; R315-W398 HydrophobicContact CG-CH2 4.07Å; R315-W398 HydrophobicContact CG-CZ2 4.14Å; R315-W398 HydrophobicContact CG-CZ3 3.77Å; P396-W398 VanDerWaalsContact C-N 3.32Å; P396-W398 HydrophobicContact CB-CD2 4.49Å; P396-W398 HydrophobicContact CB-CG 4.39Å; P396-W398 HydrophobicContact CB-CZ2 4.39Å; P396-W398 VanDerWaalsContact CB-NE1 3.31Å; P396-W398 HydrophobicContact CG-CZ2 4.5Å; P396-W398 PolarHBondContact O-N 2.76Å; W398-V402 WeakPolarHBondContact O-CG2 3.4Å; W398-V402 PolarHBondContact O-N 3.47Å
399	A	93.9	Very high	85.8	Confident	0 Å²	0	78 Å²	78	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-73.8	-40.1	178.4	0	0	0	0	0	110.2	A302 I395 P396 E397 E401 V402 L403	A302-A399 HydrophobicContact CB-CB 3.84Å; I395-A399 HydrophobicContact CG2-CB 3.8Å; P396-A399 HydrophobicContact CB-CB 4.33Å; P396-A399 WeakPolarHBondContact O-CA 3.43Å; P396-A399 WeakPolarHBondContact O-CB 3.49Å; P396-A399 PolarHBondContact O-N 2.97Å; E397-A399 PolarHBondContact O-N 2.9Å; A399-E401 VanDerWaalsContact C-N 3.29Å; A399-E401 PolarHBondContact O-N 3.38Å; A399-V402 PolarHBondContact O-N 2.94Å; A399-V402 VanDerWaalsContact O-N 3.14Å; A399-L403 VanDerWaalsContact O-CG 3.27Å; A399-L403 WeakPolarHBondContact O-CG 3.12Å; A399-L403 PolarHBondContact O-N 3.5Å
400	K	92.8	Very high	83.2	Confident	64 Å²	64	85.9 Å²	85.9	28%	0.278	39%	0.393	S	S	.	.	H	α-helix	trans	-58.8	-40.1	173.5	-60.5	-178.5	-164	154.3	0	112.1	I395 P396 E397 V402 L403 Y404	I395-K400 HydrophobicContact CB-CG 4.24Å; I395-K400 HydrophobicContact CG2-CG 3.89Å; I395-K400 WeakPolarHBondContact O-CE 3.17Å; P396-K400 PolarHBondContact O-N 3.33Å; P396-K400 VanDerWaalsContact O-N 3.14Å; E397-K400 WeakPolarHBondContact O-CB 3.49Å; E397-K400 PolarHBondContact O-N 3.48Å; E397-K400 VanDerWaalsContact O-N 3.15Å; E397-K400 WeakPolarHBondContact OE2-CD 3.37Å; E397-K400 IonicContact OE2-NZ 3.58Å; E397-K400 PolarHBondContact OE2-NZ 3.06Å; K400-V402 VanDerWaalsContact C-N 3.31Å; K400-V402 PolarHBondContact O-N 2.94Å; K400-L403 PolarHBondContact O-N 3.32Å; K400-Y404 VanDerWaalsContact O-CB 3.31Å; K400-Y404 WeakPolarHBondContact O-CB 3.35Å; K400-Y404 PolarHBondContact O-N 2.8Å
401	E	91.3	Very high	80.8	Confident	100 Å²	100	90.7 Å²	90.7	47%	0.467	41%	0.412	S	S	.	.	H	α-helix	trans	-61.3	-40.2	176.2	-68.8	-179.9	-171.3	0	0	112.5	E397 A399 K405	E397-E401 PolarHBondContact O-N 3.16Å; E397-E401 VanDerWaalsContact O-N 3.11Å; A399-E401 VanDerWaalsContact C-N 3.29Å; A399-E401 PolarHBondContact O-N 3.38Å; E401-K405 WeakPolarHBondContact O-CG 3.46Å; E401-K405 PolarHBondContact O-N 3.16Å
402	V	91.8	Very high	78.2	Confident	34 Å²	34	95.6 Å²	95.6	21%	0.206	44%	0.441	C	S	.	.	H	α-helix	trans	-66.8	-46.8	176.8	174.3	0	0	0	0	110.5	R298 Y299 A302 W398 A399 K400 K405 D406	R298-V402 HydrophobicContact CB-CG2 4.28Å; Y299-V402 HydrophobicContact CD2-CG1 4.45Å; A302-V402 HydrophobicContact CB-CB 4.14Å; A302-V402 HydrophobicContact CB-CG1 4.06Å; W398-V402 WeakPolarHBondContact O-CG2 3.4Å; W398-V402 PolarHBondContact O-N 3.47Å; A399-V402 PolarHBondContact O-N 2.94Å; A399-V402 VanDerWaalsContact O-N 3.14Å; K400-V402 VanDerWaalsContact C-N 3.31Å; K400-V402 PolarHBondContact O-N 2.94Å; V402-K405 PolarHBondContact O-N 3.21Å; V402-D406 PolarHBondContact O-N 3.17Å
403	L	90.8	Very high	75.6	Confident	17 Å²	17	90.6 Å²	90.6	9%	0.089	42%	0.424	C	S	.	.	H	α-helix	trans	-64	-41	179.2	-64.4	169.9	0	0	0	112.1	A302 R303 E306 I395 A399 K400 K405 D406 H409	A302-L403 HydrophobicContact CB-CD2 4.08Å; A302-L403 HydrophobicContact CB-CG 4.06Å; R303-L403 VanDerWaalsContact CD-CD2 3.48Å; R303-L403 HydrophobicContact CG-CD2 4.27Å; E306-L403 HydrophobicContact CB-CD1 4.19Å; I395-L403 HydrophobicContact CG2-CD1 4.41Å; A399-L403 VanDerWaalsContact O-CG 3.27Å; A399-L403 WeakPolarHBondContact O-CG 3.12Å; A399-L403 PolarHBondContact O-N 3.5Å; K400-L403 PolarHBondContact O-N 3.32Å; L403-K405 PolarHBondContact O-N 3.34Å; L403-D406 CarbonylContact O-C 3.58Å; L403-D406 PolarHBondContact O-N 3.18Å; L403-D406 VanDerWaalsContact O-O 3.12Å; L403-H409 PolarHBondContact O-CD2 3.45Å
404	Y	87.3	Confident	73	Confident	162 Å²	162	88.4 Å²	88.4	64%	0.635	43%	0.434	S	S	*	.	H	α-helix	trans	-66.6	-35.9	-179.5	-178.4	-95.1	0	0	0	113	K400 D406	K400-Y404 VanDerWaalsContact O-CB 3.31Å; K400-Y404 WeakPolarHBondContact O-CB 3.35Å; K400-Y404 PolarHBondContact O-N 2.8Å; Y404-D406 PolarHBondContact O-N 3.11Å
405	K	83.9	Confident	70.7	Confident	166 Å²	166	92.8 Å²	92.8	72%	0.722	45%	0.445	S	S	*	.	H	α-helix	trans	-66.5	-31.4	176.2	-75.2	175.3	-177.1	174.4	0	111.8	E401 V402 L403 K407	E401-K405 WeakPolarHBondContact O-CG 3.46Å; E401-K405 PolarHBondContact O-N 3.16Å; V402-K405 PolarHBondContact O-N 3.21Å; L403-K405 PolarHBondContact O-N 3.34Å; K405-K407 PolarHBondContact O-N 2.95Å; K405-K407 VanDerWaalsContact O-N 3.13Å
406	D	77.9	Confident	68.1	Low	31 Å²	31	95.4 Å²	95.4	17%	0.166	46%	0.459	C	S	.	.			trans	-83.9	80.2	175.6	-159.2	-4.6	0	0	0	109.7	Y299 R369 V402 L403 Y404 S408 H409	Y299-D406 WeakPolarHBondContact CE2-OD2 3.49Å; R369-D406 IonicContact CZ-OD2 3.63Å; R369-D406 IonicContact NE-OD2 3.73Å; R369-D406 PolarHBondContact NE-OD2 2.87Å; R369-D406 IonicContact NH2-OD2 2.85Å; R369-D406 PolarHBondContact NH2-OD2 3.11Å; V402-D406 PolarHBondContact O-N 3.17Å; L403-D406 CarbonylContact O-C 3.58Å; L403-D406 PolarHBondContact O-N 3.18Å; L403-D406 VanDerWaalsContact O-O 3.12Å; Y404-D406 PolarHBondContact O-N 3.11Å; D406-S408 VanDerWaalsContact CG-OG 3.32Å; D406-S408 PolarHBondContact O-N 3.45Å; D406-S408 PolarHBondContact OD1-OG 3.1Å; D406-H409 PolarHBondContact O-CD2 3.39Å; D406-H409 VanDerWaalsContact O-CD2 3.24Å; D406-H409 IonicContact OD2-NE2 2.66Å
407	K	58.1	Low	65.4	Low	201 Å²	201	106.2 Å²	106.2	87%	0.874	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	4.9	-177.5	-66.2	-175.8	178.8	180	0	114.9	K405	K405-K407 PolarHBondContact O-N 2.95Å; K405-K407 VanDerWaalsContact O-N 3.13Å
408	S	51.9	Low	62.7	Low	76 Å²	76	109.1 Å²	109.1	53%	0.531	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.3	-176	63.2	0	0	0	0	114.4	D406 R410	D406-S408 VanDerWaalsContact CG-OG 3.32Å; D406-S408 PolarHBondContact O-N 3.45Å; D406-S408 PolarHBondContact OD1-OG 3.1Å; S408-R410 PolarHBondContact O-N 3.22Å
409	H	50.3	Low	60.1	Low	60 Å²	60	111.3 Å²	111.3	28%	0.278	53%	0.532	S	S	.	.			trans	-80.2	86.5	-171.9	-63	-49.2	0	0	0	114.4	R303 L403 D406	R303-H409 VanDerWaalsContact CD-CE1 3.46Å; R303-H409 WeakPolarHBondContact CD-CE1 3.48Å; L403-H409 PolarHBondContact O-CD2 3.45Å; D406-H409 PolarHBondContact O-CD2 3.39Å; D406-H409 VanDerWaalsContact O-CD2 3.24Å; D406-H409 IonicContact OD2-NE2 2.66Å
410	R	40	Very low	57.2	Low	234 Å²	234	119.6 Å²	119.6	88%	0.883	57%	0.571	S	S	*	*			trans	-103	91.2	148.4	-68.5	-175.5	-163.6	174.2	5.1	108.1	S408	S408-R410 PolarHBondContact O-N 3.22Å
411	Y	41.3	Very low	54.7	Low	177 Å²	177	119.8 Å²	119.8	69%	0.694	58%	0.579	S	S	*	*			trans	-130.8	116.6	154.8	-110.6	-88	0	0	0	110.1	N413	Y411-N413 PolarHBondContact O-N 3.04Å
412	T	38	Very low	52.3	Low	127 Å²	127	118 Å²	118	78%	0.779	58%	0.577	S	S	*	*			trans	-77.1	91.8	178.3	44.9	0	0	0	0	109.2
413	N	39	Very low	49.8	Very low	98 Å²	98	119 Å²	119	52%	0.524	58%	0.583	S	S	.	*			trans	-121.7	124.9	141.2	-87.8	-26.4	0	0	0	105.2	Y411 F415	Y411-N413 PolarHBondContact O-N 3.04Å; N413-F415 PolarHBondContact O-N 3.47Å
414	G	38.1	Very low	47.3	Very low	76 Å²	76	122.5 Å²	122.5	78%	0.784	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	25.1	-160.4	0	0	0	0	0	118.2
415	F	43.2	Very low	45	Very low	173 Å²	173	123.1 Å²	123.1	76%	0.759	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.2	-11	-175.7	-72.8	-79	0	0	0	114.8	N413	N413-F415 PolarHBondContact O-N 3.47Å
416	L	38.8	Very low	42.8	Very low	69 Å²	69	121.6 Å²	121.6	36%	0.361	61%	0.607	S	S	.	*	G	3₁₀ helix	trans	-97.8	17.6	-177.6	-73.5	-179.1	0	0	0	115.1	E306 I395 D418 I419	E306-L416 HydrophobicContact CG-CD1 4.28Å; I395-L416 HydrophobicContact CD1-CD2 4.48Å; L416-D418 PolarHBondContact O-N 3.15Å; L416-D418 VanDerWaalsContact O-N 3.17Å; L416-I419 HydrophobicContact CD2-CD1 3.53Å; L416-I419 HydrophobicContact CD2-CG1 3.94Å
417	R	37	Very low	40.9	Very low	233 Å²	233	125.1 Å²	125.1	88%	0.879	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-63.4	-15.3	170.8	-82.7	-171.6	-179.6	-177.5	1.3	113.6
418	D	38.1	Very low	40	Very low	147 Å²	147	122.6 Å²	122.6	79%	0.786	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-102.9	13	-172	-59.9	-25.4	0	0	0	115.4	L416 E420	L416-D418 PolarHBondContact O-N 3.15Å; L416-D418 VanDerWaalsContact O-N 3.17Å; D418-E420 PolarHBondContact O-N 3.17Å; D418-E420 VanDerWaalsContact O-N 3.07Å
419	I	38.3	Very low	39.5	Very low	93 Å²	93	127.1 Å²	127.1	48%	0.477	62%	0.624	S	S	.	*			trans	-84.2	70.8	166.9	-53.2	-174.5	0	0	0	108.8	L416	L416-I419 HydrophobicContact CD2-CD1 3.53Å; L416-I419 HydrophobicContact CD2-CG1 3.94Å
420	E	33.6	Very low	39	Very low	173 Å²	173	127.3 Å²	127.3	81%	0.808	63%	0.632	S	S	*	*			trans	-73.1	138.3	160.9	-86.4	-165.7	157.8	0	0	110	D418 S422	D418-E420 PolarHBondContact O-N 3.17Å; D418-E420 VanDerWaalsContact O-N 3.07Å; E420-S422 PolarHBondContact O-N 3.28Å; E420-S422 VanDerWaalsContact O-N 3.12Å
421	P	39.1	Very low	38.9	Very low	69 Å²	69	119.6 Å²	119.6	45%	0.448	62%	0.619	S	S	.	*			trans	-77.5	105.1	-164.3	28.4	-32.9	0	0	0	113	V423 N424	P421-V423 PolarHBondContact O-N 2.9Å; P421-N424 PolarHBondContact O-N 3.17Å
422	S	42.6	Very low	38.7	Very low	63 Å²	63	118.2 Å²	118.2	44%	0.441	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	-19	160.7	57.5	0	0	0	0	112.7	E397 E420 N424 K425	E397-S422 PolarHBondContact OE1-OG 2.88Å; E420-S422 PolarHBondContact O-N 3.28Å; E420-S422 VanDerWaalsContact O-N 3.12Å; S422-N424 VanDerWaalsContact C-N 3.28Å; S422-N424 PolarHBondContact O-N 2.99Å; S422-K425 WeakPolarHBondContact O-CB 3.48Å; S422-K425 PolarHBondContact O-N 3.47Å; S422-K425 VanDerWaalsContact O-N 3.09Å
423	V	38.4	Very low	38.5	Very low	55 Å²	55	116.8 Å²	116.8	33%	0.333	61%	0.614	S	S	.	*	H	α-helix	trans	-65.8	-28	-179.2	-176	0	0	0	0	112.3	P421 K425 L426 L427	P421-V423 PolarHBondContact O-N 2.9Å; V423-K425 PolarHBondContact O-N 3.49Å; V423-L426 PolarHBondContact O-N 2.96Å; V423-L426 VanDerWaalsContact O-N 3.11Å; V423-L427 PolarHBondContact O-N 3.41Å
424	N	37.8	Very low	38	Very low	89 Å²	89	119.5 Å²	119.5	48%	0.476	63%	0.628	S	S	.	*	H	α-helix	trans	-69.6	-18.5	174.8	-89.1	-21.6	0	0	0	113.5	P421 S422 L426 K428	P421-N424 PolarHBondContact O-N 3.17Å; S422-N424 VanDerWaalsContact C-N 3.28Å; S422-N424 PolarHBondContact O-N 2.99Å; N424-L426 VanDerWaalsContact C-N 3.33Å; N424-K428 VanDerWaalsContact O-CB 3.32Å; N424-K428 WeakPolarHBondContact O-CB 3.41Å; N424-K428 WeakPolarHBondContact O-CG 3.4Å; N424-K428 PolarHBondContact O-N 3.35Å
425	K	40.5	Very low	37.6	Very low	175 Å²	175	120.6 Å²	120.6	76%	0.761	62%	0.624	S	S	*	*	H	α-helix	trans	-74.3	-23.7	171.3	-97.3	178.3	177.4	172.9	0	112.8	S422 V423	S422-K425 WeakPolarHBondContact O-CB 3.48Å; S422-K425 PolarHBondContact O-N 3.47Å; S422-K425 VanDerWaalsContact O-N 3.09Å; V423-K425 PolarHBondContact O-N 3.49Å
426	L	37.6	Very low	37	Very low	134 Å²	134	118.8 Å²	118.8	70%	0.702	63%	0.627	S	S	*	*	H	α-helix	trans	-80.4	-40.1	174.4	-85.1	153.1	0	0	0	111.5	V423 N424	V423-L426 PolarHBondContact O-N 2.96Å; V423-L426 VanDerWaalsContact O-N 3.11Å; N424-L426 VanDerWaalsContact C-N 3.33Å
427	L	36.4	Very low	36.5	Very low	106 Å²	106	120.3 Å²	120.3	56%	0.555	64%	0.643	S	S	*	*	H	α-helix	trans	-76	-32.7	178	-70.9	169	0	0	0	113.6	V423 K429 S430 A431	V423-L427 PolarHBondContact O-N 3.41Å; L427-K429 VanDerWaalsContact C-N 3.3Å; L427-K429 PolarHBondContact O-N 3.01Å; L427-S430 PolarHBondContact O-N 3.43Å; L427-S430 PolarHBondContact O-OG 2.84Å; L427-A431 PolarHBondContact O-N 3.22Å
428	K	39.5	Very low	35.9	Very low	147 Å²	147	117.1 Å²	117.1	64%	0.639	64%	0.644	S	S	*	*	H	α-helix	trans	-71.7	-23.5	173.6	-76.7	-173.5	175.9	-176.2	0	113.4	N424	N424-K428 VanDerWaalsContact O-CB 3.32Å; N424-K428 WeakPolarHBondContact O-CB 3.41Å; N424-K428 WeakPolarHBondContact O-CG 3.4Å; N424-K428 PolarHBondContact O-N 3.35Å
429	K	42.1	Very low	35.4	Very low	171 Å²	171	115.7 Å²	115.7	74%	0.743	65%	0.645	S	S	*	*	H	α-helix	trans	-74.7	-25.1	173.6	-87	-173.3	175	-175.1	0	113.2	L427	L427-K429 VanDerWaalsContact C-N 3.3Å; L427-K429 PolarHBondContact O-N 3.01Å
430	S	38.9	Very low	34.8	Very low	64 Å²	64	118.3 Å²	118.3	45%	0.448	67%	0.666	S	S	.	*	H	α-helix	trans	-80.5	-30.3	172.4	53.9	0	0	0	0	112.9	L427 L432 T433	L427-S430 PolarHBondContact O-N 3.43Å; L427-S430 PolarHBondContact O-OG 2.84Å; S430-L432 VanDerWaalsContact C-N 3.32Å; S430-L432 PolarHBondContact O-N 3.4Å; S430-T433 PolarHBondContact O-OG1 2.68Å
431	A	38.4	Very low	34.5	Very low	72 Å²	72	114.6 Å²	114.6	60%	0.595	66%	0.659	S	S	*	*	H	α-helix	trans	-76.7	-14	-179.6	0	0	0	0	0	114.6	L427	L427-A431 PolarHBondContact O-N 3.22Å
432	L	38.4	Very low	33.8	Very low	148 Å²	148	119.9 Å²	119.9	78%	0.775	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	7.9	179.4	-92.3	154.8	0	0	0	113.9	S430	S430-L432 VanDerWaalsContact C-N 3.32Å; S430-L432 PolarHBondContact O-N 3.4Å
433	T	32.3	Very low	33.1	Very low	98 Å²	98	127.8 Å²	127.8	60%	0.601	70%	0.703	S	S	*	*			trans	-118	9.6	180	51.8	0	0	0	0	114.7	S430 S435	S430-T433 PolarHBondContact O-OG1 2.68Å; T433-S435 PolarHBondContact O-N 3.16Å; T433-S435 VanDerWaalsContact O-N 3.12Å
434	D	29.1	Very low	32.6	Very low	154 Å²	154	135.2 Å²	135.2	82%	0.824	73%	0.73	S	S	*	*			trans	-80.1	17.6	177.4	-74.1	-17.5	0	0	0	114.3
435	S	29.1	Very low	32.1	Very low	99 Å²	99	142.7 Å²	142.7	69%	0.692	75%	0.752	S	S	*	*	S	Bend	trans	-126.8	91.6	161.3	65.1	0	0	0	0	108.9	T433	T433-S435 PolarHBondContact O-N 3.16Å; T433-S435 VanDerWaalsContact O-N 3.12Å
436	V	32.2	Very low	31.4	Very low	135 Å²	135	140.2 Å²	140.2	82%	0.818	76%	0.756	S	S	*	*	S	Bend	trans	175.6	124.6	137.7	162.5	0	0	0	0	108.4
437	S	27.7	Very low	31	Very low	101 Å²	101	142 Å²	142	71%	0.706	77%	0.765	S	S	*	*			trans	-39.9	138.3	179.1	50.2	0	0	0	0	118.4
438	N	24.7	Very low	30.5	Very low	167 Å²	167	146.4 Å²	146.4	89%	0.893	78%	0.78	S	S	*	*			trans	27.2	102.8	139.3	-70.6	-16.8	0	0	0	118.5
439	S	27.1	Very low	29.9	Very low	116 Å²	116	150.4 Å²	150.4	81%	0.811	79%	0.79	S	S	*	*			trans	-156.4	130.5	134.5	61.5	0	0	0	0	111.5	S441	S439-S441 PolarHBondContact O-N 3.33Å
440	T	25	Very low	29.3	Very low	149 Å²	149	147.2 Å²	147.2	91%	0.914	78%	0.781	S	S	*	*			trans	-71	115	-179.2	-5	0	0	0	0	110.2
441	S	27.3	Very low	28.7	Very low	95 Å²	95	149.7 Å²	149.7	66%	0.664	79%	0.794	S	S	*	*			trans	-146.7	120.8	153.2	76.2	0	0	0	0	111.2	S439 R443	S439-S441 PolarHBondContact O-N 3.33Å; S441-R443 PolarHBondContact O-N 3.32Å
442	L	25.9	Very low	28.4	Very low	180 Å²	180	151.1 Å²	151.1	94%	0.942	79%	0.792	S	S	*	*			trans	-63.8	95.2	177.1	-81.6	115.8	0	0	0	110.5	K444	L442-K444 PolarHBondContact O-N 2.78Å
443	R	27.5	Very low	27.9	Very low	229 Å²	229	150 Å²	150	86%	0.864	78%	0.783	S	S	*	*			trans	-86	101.9	166.9	-79.1	-174.2	173.9	-174.8	-1.3	110.2	S441 R445	S441-R443 PolarHBondContact O-N 3.32Å; R443-R445 PolarHBondContact O-N 2.85Å; R443-R445 VanDerWaalsContact O-N 3.11Å
444	K	27.6	Very low	27.5	Very low	210 Å²	210	155 Å²	155	91%	0.913	80%	0.796	S	S	*	*			trans	-51.3	111.5	163.5	-78.6	178.7	173.6	178.3	0	109.2	L442 C446	L442-K444 PolarHBondContact O-N 2.78Å; K444-C446 PolarHBondContact O-N 2.81Å
445	R	26.9	Very low	27.4	Very low	246 Å²	246	151.8 Å²	151.8	93%	0.928	79%	0.785	S	S	*	*			trans	-67.2	99.5	169.9	-89.3	179.4	172.4	171.9	-2	108.5	R443 L447	R443-R445 PolarHBondContact O-N 2.85Å; R443-R445 VanDerWaalsContact O-N 3.11Å; R445-L447 PolarHBondContact O-N 3.28Å
446	C	25.6	Very low	27.2	Very low	124 Å²	124	149.7 Å²	149.7	84%	0.838	78%	0.778	S	S	*	*			trans	-68.4	114.9	162.4	-122	0	0	0	0	107.5	K444 K448	K444-C446 PolarHBondContact O-N 2.81Å; C446-K448 PolarHBondContact O-N 2.76Å
447	L	28.9	Very low	26.8	Very low	170 Å²	170	150.4 Å²	150.4	89%	0.89	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-54.3	123.7	172.9	-80.6	150.4	0	0	0	108.7	R445 R449	R445-L447 PolarHBondContact O-N 3.28Å; L447-R449 PolarHBondContact O-N 2.77Å
448	K	26	Very low	26.5	Very low	200 Å²	200	152.2 Å²	152.2	87%	0.87	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-59.3	133.3	178.9	-80.8	180	173.2	-179	0	109.5	C446 D450	C446-K448 PolarHBondContact O-N 2.76Å; K448-D450 PolarHBondContact O-N 2.95Å
449	R	27.7	Very low	26.4	Very low	230 Å²	230	149.7 Å²	149.7	87%	0.868	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-59	118.5	175.5	-63	173.1	-178.7	174.4	-2.7	109.3	L447 T451	L447-R449 PolarHBondContact O-N 2.77Å; R449-T451 VanDerWaalsContact C-N 3.26Å; R449-T451 HydrophobicContact CB-CG2 4.39Å; R449-T451 PolarHBondContact O-N 2.75Å
450	D	29.6	Very low	26.2	Very low	104 Å²	104	152.2 Å²	152.2	56%	0.556	77%	0.767	S	S	*	*			trans	-71.1	88.8	162.9	-80.9	-26	0	0	0	106.9	R315 K448 N452	R315-D450 IonicContact NH1-OD2 3.73Å; K448-D450 PolarHBondContact O-N 2.95Å; D450-N452 PolarHBondContact O-N 3.24Å
451	T	26.6	Very low	26.6	Very low	117 Å²	117	158.3 Å²	158.3	72%	0.718	78%	0.782	S	S	*	*			trans	-70	122.4	174.4	48.6	0	0	0	0	108.9	R449 E453	R449-T451 VanDerWaalsContact C-N 3.26Å; R449-T451 HydrophobicContact CB-CG2 4.39Å; R449-T451 PolarHBondContact O-N 2.75Å; T451-E453 PolarHBondContact O-N 3.35Å
452	N	31.8	Very low	26.5	Very low	102 Å²	102	161.5 Å²	161.5	55%	0.545	79%	0.787	S	S	.	*			trans	-29	109.2	169.6	-91.9	-25.4	0	0	0	112.6	D450 K454	D450-N452 PolarHBondContact O-N 3.24Å; N452-K454 VanDerWaalsContact C-N 3.27Å; N452-K454 PolarHBondContact O-N 2.7Å
453	E	27.3	Very low	26.6	Very low	125 Å²	125	160.5 Å²	160.5	58%	0.584	78%	0.779	S	S	*	*			trans	-64	99.3	152.6	-78.8	-178.1	171.3	0	0	105.7	T451 C455	T451-E453 PolarHBondContact O-N 3.35Å; E453-C455 VanDerWaalsContact C-N 3.27Å; E453-C455 PolarHBondContact O-N 3.16Å
454	K	24.4	Very low	26.5	Very low	202 Å²	202	156.7 Å²	156.7	88%	0.878	78%	0.775	S	S	*	*			trans	-55.8	87.2	177.5	-71.6	-177.9	174.7	-176.9	0	110	N452 G456	N452-K454 VanDerWaalsContact C-N 3.27Å; N452-K454 PolarHBondContact O-N 2.7Å; K454-G456 PolarHBondContact O-N 3.27Å
455	C	26.4	Very low	26.5	Very low	87 Å²	87	153.5 Å²	153.5	59%	0.588	77%	0.766	S	S	*	*			trans	-78.8	55.9	159.5	-86.4	0	0	0	0	109.5	E453	E453-C455 VanDerWaalsContact C-N 3.27Å; E453-C455 PolarHBondContact O-N 3.16Å
456	G	24.6	Very low	26.4	Very low	54 Å²	54	147.8 Å²	147.8	56%	0.557	76%	0.756	S	S	*	*			trans	-103.6	100.2	167.3	0	0	0	0	0	107.9	K454 N458	K454-G456 PolarHBondContact O-N 3.27Å; G456-N458 VanDerWaalsContact C-N 3.34Å; G456-N458 PolarHBondContact O-N 3.31Å
457	I	24.7	Very low	26.5	Very low	150 Å²	150	149.3 Å²	149.3	77%	0.769	75%	0.751	S	S	*	*			trans	-68.8	99.3	166.2	-61.5	173.6	0	0	0	105.7	T459	I457-T459 HydrophobicContact CG2-CG2 4.33Å; I457-T459 PolarHBondContact O-N 3.05Å
458	N	21.6	Very low	26.3	Very low	140 Å²	140	147.9 Å²	147.9	75%	0.749	74%	0.741	S	S	*	*			trans	-62	104	167.8	-86.6	-18.2	0	0	0	107.6	G456 H460	G456-N458 VanDerWaalsContact C-N 3.34Å; G456-N458 PolarHBondContact O-N 3.31Å; N458-H460 PolarHBondContact O-N 3.01Å
459	T	22.6	Very low	26.4	Very low	113 Å²	113	143.8 Å²	143.8	69%	0.693	73%	0.731	S	S	*	*			trans	-83.6	100.3	167.8	37.1	0	0	0	0	106.8	I457	I457-T459 HydrophobicContact CG2-CG2 4.33Å; I457-T459 PolarHBondContact O-N 3.05Å
460	H	22.1	Very low	26.3	Very low	169 Å²	169	136.7 Å²	136.7	78%	0.782	72%	0.72	S	S	*	*			trans	-78.5	123.7	158	-73.6	-75.3	0	0	0	106.7	N458	N458-H460 PolarHBondContact O-N 3.01Å
461	F	33.2	Very low	25.9	Very low	277 Å²	277	139.6 Å²	139.6	100%	1.215	73%	0.734	S	S	*	*			trans	-64.9	0	162.1	-75.8	-80.2	0	0	0	110

Retrieved 461 of 461 residues in 88.3 ms (Link to these results)

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