A0A096MCP6_POEFO Loading...

OTU deubiquitinase with linear linkage specificity

AlphaFold DB , UniProt , Accession A0A096MCP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 294 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	36.2	Very low	34.7	Very low	242 Å²	242	178.7 Å²	178.7	100%	1.192	83%	0.83	S	S	*	*				0	95.3	0	-80.9	176.8	-177.5	0	0	107.7
2	E	36.2	Very low	34.5	Very low	188 Å²	188	174.8 Å²	174.8	88%	0.879	81%	0.812	S	S	*	*			trans	-173.5	121.1	164.9	-114.1	168.7	-170.6	0	0	107.8
3	R	35	Very low	34	Very low	247 Å²	247	172.5 Å²	172.5	93%	0.932	80%	0.798	S	S	*	*			trans	151.1	74.7	161.3	-86.1	176.5	-161.7	-150.8	6.8	109.5
4	K	35.8	Very low	33.8	Very low	199 Å²	199	164.6 Å²	164.6	87%	0.865	77%	0.772	S	S	*	*			trans	-152.9	70.4	157.3	-73.4	-161.9	-179.1	-178.9	0	109.9
5	H	39.9	Very low	33.6	Very low	201 Å²	201	167.9 Å²	167.9	93%	0.931	78%	0.775	S	S	*	*	S	Bend	trans	-147.7	16.1	167.8	-115	67.1	0	0	0	116.4
6	C	35.9	Very low	33.2	Very low	129 Å²	129	167.6 Å²	167.6	87%	0.872	77%	0.765	S	S	*	*	S	Bend	trans	-119	23.2	-176.5	-149.1	0	0	0	0	115.9
7	Q	34.7	Very low	32.8	Very low	156 Å²	156	165.4 Å²	165.4	73%	0.729	76%	0.76	S	S	*	*	S	Bend	trans	-120	-10.7	-177.4	-141.7	139.7	-2.4	0	0	115.3
8	K	33.6	Very low	32.9	Very low	194 Å²	194	163.8 Å²	163.8	84%	0.843	75%	0.747	S	S	*	*	H	α-helix	trans	-83.4	-15	177.6	-81.8	-175.9	174.3	-177.3	0	114.8
9	R	29.1	Very low	33.1	Very low	216 Å²	216	161.7 Å²	161.7	82%	0.815	74%	0.736	S	S	*	*	H	α-helix	trans	-90.6	-13.5	-176.5	-80.6	-173.3	-179.7	-166.7	0.7	115.3
10	S	31.6	Very low	33.4	Very low	73 Å²	73	163.1 Å²	163.1	51%	0.51	74%	0.74	S	S	.	*	H	α-helix	trans	-87.2	-32.8	177.3	72.1	0	0	0	0	113.1	Q12 K13 S14	S10-Q12 PolarHBondContact O-N 3.32Å; S10-K13 PolarHBondContact O-N 2.96Å; S10-K13 VanDerWaalsContact O-N 3.14Å; S10-S14 PolarHBondContact O-N 3.29Å
11	H	33.7	Very low	34.3	Very low	121 Å²	121	164.9 Å²	164.9	56%	0.56	74%	0.741	S	S	*	*	H	α-helix	trans	-66.5	-36.5	-179.7	-77.2	-68.5	0	0	0	113.8	K13 S14 W15	H11-K13 VanDerWaalsContact C-N 3.31Å; H11-K13 PolarHBondContact O-N 3.12Å; H11-S14 PolarHBondContact O-N 3.46Å; H11-W15 PolarHBondContact O-N 3.47Å
12	Q	32	Very low	35.5	Very low	132 Å²	132	156.7 Å²	156.7	62%	0.617	71%	0.708	S	S	*	*	H	α-helix	trans	-62.4	-39.6	172	-101.9	175.2	-13.9	0	0	111.3	S10 S14 W15 W16	S10-Q12 PolarHBondContact O-N 3.32Å; Q12-S14 PolarHBondContact O-N 3.13Å; Q12-W15 WeakPolarHBondContact O-CB 3.44Å; Q12-W15 PolarHBondContact O-N 3.29Å; Q12-W16 PolarHBondContact O-N 2.76Å; Q12-W16 VanDerWaalsContact O-N 3.08Å
13	K	28	Very low	37.2	Very low	144 Å²	144	149.7 Å²	149.7	63%	0.626	68%	0.678	S	S	*	*	H	α-helix	trans	-66.7	-34.3	-178.2	-69.5	-176.2	177.6	-173	0	113	S10 H11 W16 L17	S10-K13 PolarHBondContact O-N 2.96Å; S10-K13 VanDerWaalsContact O-N 3.14Å; H11-K13 VanDerWaalsContact C-N 3.31Å; H11-K13 PolarHBondContact O-N 3.12Å; K13-W16 PolarHBondContact O-N 2.88Å; K13-L17 WeakPolarHBondContact O-CD1 3.38Å; K13-L17 PolarHBondContact O-N 3.45Å
14	S	31.8	Very low	39	Very low	63 Å²	63	138.9 Å²	138.9	44%	0.441	64%	0.638	S	S	.	*	H	α-helix	trans	-65.2	-44.5	174.2	-170.6	0	0	0	0	111.7	S10 H11 Q12 W16 L17 W18	S10-S14 PolarHBondContact O-N 3.29Å; H11-S14 PolarHBondContact O-N 3.46Å; Q12-S14 PolarHBondContact O-N 3.13Å; S14-W16 PolarHBondContact O-N 3.29Å; S14-L17 PolarHBondContact O-N 3.02Å; S14-L17 VanDerWaalsContact O-N 3.17Å; S14-W18 PolarHBondContact O-N 3.41Å
15	W	30.6	Very low	40.8	Very low	213 Å²	213	133.9 Å²	133.9	81%	0.807	62%	0.621	S	S	*	*	H	α-helix	trans	-58.2	-34.6	172.6	-93.1	63.6	0	0	0	113.4	H11 Q12	H11-W15 PolarHBondContact O-N 3.47Å; Q12-W15 WeakPolarHBondContact O-CB 3.44Å; Q12-W15 PolarHBondContact O-N 3.29Å
16	W	27.4	Very low	42.4	Very low	163 Å²	163	124.4 Å²	124.4	62%	0.617	58%	0.577	S	S	*	*	H	α-helix	trans	-76.3	-31	176.8	-77.3	108.7	0	0	0	114	Q12 K13 S14 K19	Q12-W16 PolarHBondContact O-N 2.76Å; Q12-W16 VanDerWaalsContact O-N 3.08Å; K13-W16 PolarHBondContact O-N 2.88Å; S14-W16 PolarHBondContact O-N 3.29Å; W16-K19 HydrophobicContact CE3-CD 3.97Å; W16-K19 HydrophobicContact CZ3-CD 4.1Å; W16-K19 WeakPolarHBondContact O-CB 3.31Å
17	L	26.8	Very low	43.6	Very low	131 Å²	131	120.6 Å²	120.6	69%	0.686	56%	0.555	S	S	*	*	H	α-helix	trans	-74.3	-29.5	178.9	-98.2	119.2	0	0	0	113.1	K13 S14 K19	K13-L17 WeakPolarHBondContact O-CD1 3.38Å; K13-L17 PolarHBondContact O-N 3.45Å; S14-L17 PolarHBondContact O-N 3.02Å; S14-L17 VanDerWaalsContact O-N 3.17Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.35Å
18	W	34.7	Very low	44.7	Very low	136 Å²	136	114.3 Å²	114.3	52%	0.515	53%	0.532	S	S	.	.	G	3₁₀ helix	trans	-78.5	-11.9	177.3	-76.9	66.2	0	0	0	114	S14 K20 L24	S14-W18 PolarHBondContact O-N 3.41Å; W18-K20 PolarHBondContact O-N 3.24Å; W18-L24 HydrophobicContact CE3-CD2 4.18Å; W18-L24 HydrophobicContact CZ3-CD2 4.44Å
19	K	35.9	Very low	45.8	Very low	124 Å²	124	106.4 Å²	106.4	54%	0.539	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-69.1	-7.8	174	-119.3	177.7	-176.1	-179.1	0	113.9	W16 L17	W16-K19 HydrophobicContact CE3-CD 3.97Å; W16-K19 HydrophobicContact CZ3-CD 4.1Å; W16-K19 WeakPolarHBondContact O-CB 3.31Å; L17-K19 VanDerWaalsContact C-N 3.3Å; L17-K19 PolarHBondContact O-N 3.35Å
20	K	38.4	Very low	47	Very low	190 Å²	190	97.6 Å²	97.6	83%	0.826	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-91.9	-10.2	-174.8	-80.2	-171.1	175.2	-173.4	0	115.6	W18	W18-K20 PolarHBondContact O-N 3.24Å
21	R	53.1	Low	47.9	Very low	200 Å²	200	100.5 Å²	100.5	76%	0.755	48%	0.477	S	S	*	.			trans	-106.9	120.1	174.1	-74.3	-174	171.5	-173.4	-2.9	109.8	T23 L24	R21-T23 VanDerWaalsContact C-N 3.27Å; R21-T23 PolarHBondContact O-N 3Å; R21-L24 HydrophobicContact CB-CD2 4.46Å
22	S	62.4	Low	48.6	Very low	71 Å²	71	97.5 Å²	97.5	50%	0.497	47%	0.47	S	S	.	.	S	Bend	trans	-71.3	-22	179.3	52.7	0	0	0	0	113.2	R56 R57	S22-R56 WeakPolarHBondContact O-CA 3.38Å; S22-R57 PolarHBondContact O-N 2.99Å
23	T	71.4	Confident	49.5	Very low	41 Å²	41	92.7 Å²	92.7	25%	0.252	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	131.7	179.2	-52.4	0	0	0	0	109.6	R21 H54 R56	R21-T23 VanDerWaalsContact C-N 3.27Å; R21-T23 PolarHBondContact O-N 3Å; T23-H54 HydrophobicContact CG2-CB 3.79Å; T23-R56 PolarHBondContact OG1-NE 3.44Å; T23-R56 PolarHBondContact OG1-NH2 2.9Å
24	L	71.5	Confident	50.6	Low	20 Å²	20	89.3 Å²	89.3	11%	0.105	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.5	-176.4	-65.1	166.8	0	0	0	109.5	W18 R21 M26 F29 H54 L55 R57	W18-L24 HydrophobicContact CE3-CD2 4.18Å; W18-L24 HydrophobicContact CZ3-CD2 4.44Å; R21-L24 HydrophobicContact CB-CD2 4.46Å; L24-M26 PolarHBondContact O-N 2.92Å; L24-F29 HydrophobicContact CD1-CD2 3.92Å; L24-F29 HydrophobicContact CD1-CE2 4.36Å; L24-H54 CarbonylContact O-C 3.52Å; L24-H54 VanDerWaalsContact O-CA 3.25Å; L24-H54 WeakPolarHBondContact O-CA 3.39Å; L24-H54 WeakPolarHBondContact O-CB 3.39Å; L24-L55 PolarHBondContact N-O 3.14Å; L24-L55 PolarHBondContact O-N 3.44Å; L24-R57 HydrophobicContact CD1-CG 4.26Å
25	L	73.4	Confident	51.6	Low	94 Å²	94	95 Å²	95	49%	0.492	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	130.6	170.4	-167.4	85	0	0	0	108.4	A27 G28 F29	L25-A27 HydrophobicContact CD2-CB 4.06Å; L25-A27 PolarHBondContact O-N 3.48Å; L25-G28 CarbonylContact O-C 3.48Å; L25-G28 WeakPolarHBondContact O-CA 3.33Å; L25-G28 PolarHBondContact O-N 3.18Å; L25-F29 PolarHBondContact O-N 2.79Å
26	M	73.7	Confident	53.1	Low	2 Å²	2	88.5 Å²	88.5	1%	0.01	46%	0.464	C	S	.	.	H	α-helix	trans	-69.1	-36.5	-173.5	-160.7	153.2	68.6	0	0	112.2	L24 G28 F29 C30 Y45 M48 S49 F52 S53	L24-M26 PolarHBondContact O-N 2.92Å; M26-G28 VanDerWaalsContact C-N 3.3Å; M26-G28 PolarHBondContact O-N 2.67Å; M26-F29 WeakPolarHBondContact O-CB 3.39Å; M26-F29 PolarHBondContact O-N 2.93Å; M26-C30 PolarHBondContact O-N 2.9Å; M26-C30 VanDerWaalsContact O-N 3.08Å; M26-Y45 HydrophobicContact CG-CD1 4.14Å; M26-Y45 HydrophobicContact SD-CD1 4.29Å; M26-M48 HydrophobicContact CE-CB 3.5Å; M26-M48 VanDerWaalsContact CE-O 3.24Å; M26-M48 WeakPolarHBondContact CE-O 3.18Å; M26-M48 HydrophobicContact SD-CB 4.07Å; M26-S49 VanDerWaalsContact CE-N 3.27Å; M26-F52 HydrophobicContact CE-CB 3.7Å; M26-F52 WeakPolarHBondContact CE-O 3.46Å; M26-F52 HydrophobicContact SD-CB 4.45Å; M26-S53 PolarHBondContact N-O 3.29Å
27	A	62	Low	55.3	Low	49 Å²	49	82.7 Å²	82.7	41%	0.405	44%	0.444	S	S	.	.	H	α-helix	trans	-62.9	-37.1	168.9	0	0	0	0	0	112.1	L25 C30 L31	L25-A27 HydrophobicContact CD2-CB 4.06Å; L25-A27 PolarHBondContact O-N 3.48Å; A27-C30 PolarHBondContact O-N 3.17Å; A27-L31 WeakPolarHBondContact O-CB 3.36Å; A27-L31 VanDerWaalsContact O-CG 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.46Å; A27-L31 PolarHBondContact O-N 3.12Å
28	G	57	Low	58	Low	24 Å²	24	80 Å²	80	25%	0.247	43%	0.434	C	S	.	.	H	α-helix	trans	-68.3	-36.3	175.2	0	0	0	0	0	112.9	L25 M26 L31 S32	L25-G28 CarbonylContact O-C 3.48Å; L25-G28 WeakPolarHBondContact O-CA 3.33Å; L25-G28 PolarHBondContact O-N 3.18Å; M26-G28 VanDerWaalsContact C-N 3.3Å; M26-G28 PolarHBondContact O-N 2.67Å; G28-L31 PolarHBondContact O-N 2.92Å; G28-S32 WeakPolarHBondContact O-CB 3.28Å; G28-S32 PolarHBondContact O-N 3.18Å; G28-S32 PolarHBondContact O-OG 3.45Å
29	F	57.4	Low	60.4	Low	28 Å²	28	79.3 Å²	79.3	12%	0.123	45%	0.445	C	S	.	.	H	α-helix	trans	-60.8	-53.7	172.6	-168.4	-95	0	0	0	109.6	L24 L25 M26 L31 S32 T33 Y45	L24-F29 HydrophobicContact CD1-CD2 3.92Å; L24-F29 HydrophobicContact CD1-CE2 4.36Å; L25-F29 PolarHBondContact O-N 2.79Å; M26-F29 WeakPolarHBondContact O-CB 3.39Å; M26-F29 PolarHBondContact O-N 2.93Å; F29-L31 VanDerWaalsContact C-N 3.31Å; F29-L31 PolarHBondContact O-N 3.18Å; F29-S32 PolarHBondContact O-N 3.13Å; F29-S32 PolarHBondContact O-OG 3.31Å; F29-S32 VanDerWaalsContact O-OG 3.14Å; F29-T33 HydrophobicContact CE2-CG2 4.46Å; F29-T33 HydrophobicContact CZ-CG2 4.39Å; F29-T33 WeakPolarHBondContact O-CB 3.32Å; F29-T33 PolarHBondContact O-N 3.5Å; F29-T33 VanDerWaalsContact O-N 3.14Å; F29-T33 PolarHBondContact O-OG1 3.14Å; F29-Y45 HydrophobicContact CD1-CD1 4.34Å; F29-Y45 HydrophobicContact CD1-CD2 4.14Å; F29-Y45 AromaticContact CD1-CE1 3.98Å; F29-Y45 HydrophobicContact CD1-CE1 3.98Å; F29-Y45 AromaticContact CD1-CE2 3.76Å; F29-Y45 HydrophobicContact CD1-CE2 3.76Å; F29-Y45 HydrophobicContact CD1-CG 4.42Å; F29-Y45 AromaticContact CD1-CZ 3.66Å; F29-Y45 HydrophobicContact CE1-CD2 4.17Å; F29-Y45 HydrophobicContact CE1-CE1 4.1Å; F29-Y45 AromaticContact CE1-CE2 3.38Å; F29-Y45 HydrophobicContact CE1-CE2 3.38Å; F29-Y45 AromaticContact CE1-CZ 3.33Å; F29-Y45 WeakPolarHBondContact CE1-OH 3.23Å
30	C	54.3	Low	63	Low	31 Å²	31	75.5 Å²	75.5	21%	0.209	43%	0.432	C	S	.	.	H	α-helix	trans	-55.7	-40.7	178.5	-165.2	0	0	0	0	113.1	M26 A27 S34	M26-C30 PolarHBondContact O-N 2.9Å; M26-C30 VanDerWaalsContact O-N 3.08Å; A27-C30 PolarHBondContact O-N 3.17Å; C30-S34 PolarHBondContact O-N 3.45Å
31	L	49.8	Very low	65.4	Low	133 Å²	133	67 Å²	67	70%	0.696	40%	0.396	S	S	*	.	H	α-helix	trans	-79.8	-33.9	179.3	-70.1	168.4	0	0	0	114.1	A27 G28 F29 T33 S34	A27-L31 WeakPolarHBondContact O-CB 3.36Å; A27-L31 VanDerWaalsContact O-CG 3.31Å; A27-L31 WeakPolarHBondContact O-CG 3.46Å; A27-L31 PolarHBondContact O-N 3.12Å; G28-L31 PolarHBondContact O-N 2.92Å; F29-L31 VanDerWaalsContact C-N 3.31Å; F29-L31 PolarHBondContact O-N 3.18Å; L31-T33 VanDerWaalsContact C-N 3.32Å; L31-S34 PolarHBondContact O-OG 3.11Å
32	S	49.1	Very low	67.1	Low	59 Å²	59	59.4 Å²	59.4	41%	0.413	37%	0.37	S	S	.	.	H	α-helix	trans	-78.4	-15.6	-179.7	70.6	0	0	0	0	113.9	G28 F29	G28-S32 WeakPolarHBondContact O-CB 3.28Å; G28-S32 PolarHBondContact O-N 3.18Å; G28-S32 PolarHBondContact O-OG 3.45Å; F29-S32 PolarHBondContact O-N 3.13Å; F29-S32 PolarHBondContact O-OG 3.31Å; F29-S32 VanDerWaalsContact O-OG 3.14Å
33	T	50.6	Low	68.4	Low	31 Å²	31	59.7 Å²	59.7	19%	0.19	36%	0.363	C	S	.	.	S	Bend	trans	-116.9	8	-175.7	54.9	0	0	0	0	113.3	F29 L31 E35 L37	F29-T33 HydrophobicContact CE2-CG2 4.46Å; F29-T33 HydrophobicContact CZ-CG2 4.39Å; F29-T33 WeakPolarHBondContact O-CB 3.32Å; F29-T33 PolarHBondContact O-N 3.5Å; F29-T33 VanDerWaalsContact O-N 3.14Å; F29-T33 PolarHBondContact O-OG1 3.14Å; L31-T33 VanDerWaalsContact C-N 3.32Å; T33-E35 PolarHBondContact O-N 2.85Å; T33-E35 VanDerWaalsContact O-N 3.14Å; T33-L37 HydrophobicContact CG2-CD1 4.32Å; T33-L37 WeakPolarHBondContact OG1-CD1 3.29Å
34	S	50.5	Low	69.3	Low	73 Å²	73	57.7 Å²	57.7	51%	0.51	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.8	177	61	0	0	0	0	113.4	C30 L31 G36	C30-S34 PolarHBondContact O-N 3.45Å; L31-S34 PolarHBondContact O-OG 3.11Å; S34-G36 PolarHBondContact O-N 3.3Å
35	E	52.5	Low	70.2	Confident	181 Å²	181	56.9 Å²	56.9	85%	0.846	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	89.1	166.4	-69.1	-169.8	163.4	0	0	110.4	T33	T33-E35 PolarHBondContact O-N 2.85Å; T33-E35 VanDerWaalsContact O-N 3.14Å
36	G	63.9	Low	71	Confident	78 Å²	78	58.7 Å²	58.7	80%	0.804	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	117	-6.1	164.6	0	0	0	0	0	117.4	S34	S34-G36 PolarHBondContact O-N 3.3Å
37	L	72	Confident	71.8	Confident	40 Å²	40	63.1 Å²	63.1	21%	0.209	37%	0.372	C	S	.	.			trans	-79.3	141.4	171.3	-79.4	173.2	0	0	0	112.2	T33 L41 L42	T33-L37 HydrophobicContact CG2-CD1 4.32Å; T33-L37 WeakPolarHBondContact OG1-CD1 3.29Å; L37-L41 HydrophobicContact CD2-CD1 3.82Å; L37-L42 HydrophobicContact CB-CD2 4.26Å; L37-L42 HydrophobicContact CB-CG 4.25Å; L37-L42 HydrophobicContact CD1-CD2 4.12Å
38	P	83.6	Confident	73.2	Confident	74 Å²	74	60.9 Å²	60.9	48%	0.481	35%	0.353	S	S	.	.			trans	-54.2	140.4	167.6	-25.7	32.4	0	0	0	112.8	V40 L41 L42	P38-V40 HydrophobicContact CB-CG1 4.11Å; P38-V40 PolarHBondContact O-N 3.48Å; P38-V40 VanDerWaalsContact O-N 3.13Å; P38-L41 HydrophobicContact CB-CG 4.31Å; P38-L41 HydrophobicContact CG-CD1 4.23Å; P38-L41 HydrophobicContact CG-CG 4.45Å; P38-L41 PolarHBondContact O-N 2.91Å; P38-L42 PolarHBondContact O-N 2.63Å
39	V	86.7	Confident	74.7	Confident	122 Å²	122	62.5 Å²	62.5	74%	0.739	36%	0.36	S	S	*	.	H	α-helix	trans	-53.1	-37	179.7	176.2	0	0	0	0	112.5	L41 L42 Q43	V39-L41 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3.49Å; V39-L42 PolarHBondContact O-N 3.13Å; V39-Q43 PolarHBondContact O-N 2.96Å
40	V	89.6	Confident	76.2	Confident	44 Å²	44	65.5 Å²	65.5	27%	0.267	39%	0.39	S	S	.	.	H	α-helix	trans	-62.3	-38	178.6	68	0	0	0	0	112.6	P38 Q43 G44 A247	P38-V40 HydrophobicContact CB-CG1 4.11Å; P38-V40 PolarHBondContact O-N 3.48Å; P38-V40 VanDerWaalsContact O-N 3.13Å; V40-Q43 PolarHBondContact O-N 3.41Å; V40-G44 PolarHBondContact O-N 3.44Å; V40-A247 HydrophobicContact CG2-CB 3.96Å; V40-A247 WeakPolarHBondContact O-CB 3.27Å
41	L	89.4	Confident	77.8	Confident	13 Å²	13	70.5 Å²	70.5	7%	0.068	41%	0.409	C	S	.	.	H	α-helix	trans	-69.8	-41.7	178.6	-61.3	-172.8	0	0	0	111.1	L37 P38 V39 Q43 G44 Y45 L244 E272	L37-L41 HydrophobicContact CD2-CD1 3.82Å; P38-L41 HydrophobicContact CB-CG 4.31Å; P38-L41 HydrophobicContact CG-CD1 4.23Å; P38-L41 HydrophobicContact CG-CG 4.45Å; P38-L41 PolarHBondContact O-N 2.91Å; V39-L41 VanDerWaalsContact C-N 3.34Å; V39-L41 PolarHBondContact O-N 3.49Å; L41-Q43 VanDerWaalsContact C-N 3.28Å; L41-Q43 PolarHBondContact O-N 3.29Å; L41-G44 PolarHBondContact O-N 2.95Å; L41-Y45 VanDerWaalsContact O-CD2 3.28Å; L41-Y45 WeakPolarHBondContact O-CD2 3.47Å; L41-Y45 PolarHBondContact O-N 3.46Å; L41-L244 VanDerWaalsContact CD2-C 3.5Å; L41-L244 HydrophobicContact CD2-CB 3.57Å; L41-E272 HydrophobicContact CD1-CB 4.33Å; L41-E272 HydrophobicContact CD1-CG 4.24Å; L41-E272 HydrophobicContact CD2-CB 4.4Å; L41-E272 HydrophobicContact CD2-CG 4.4Å
42	L	87.5	Confident	79.8	Confident	40 Å²	40	65.4 Å²	65.4	21%	0.209	38%	0.381	C	S	.	.	H	α-helix	trans	-60.1	-40.8	175.9	-66.6	172.6	0	0	0	111.4	L37 P38 V39 Y45 K46	L37-L42 HydrophobicContact CB-CD2 4.26Å; L37-L42 HydrophobicContact CB-CG 4.25Å; L37-L42 HydrophobicContact CD1-CD2 4.12Å; P38-L42 PolarHBondContact O-N 2.63Å; V39-L42 PolarHBondContact O-N 3.13Å; L42-Y45 PolarHBondContact O-N 2.99Å; L42-K46 WeakPolarHBondContact O-CB 3.4Å; L42-K46 PolarHBondContact O-N 3.48Å
43	Q	89.4	Confident	81.7	Confident	76 Å²	76	63.7 Å²	63.7	36%	0.355	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-45.2	175.8	-176.3	59.8	27.7	0	0	111.6	V39 V40 L41 K46 E47	V39-Q43 PolarHBondContact O-N 2.96Å; V40-Q43 PolarHBondContact O-N 3.41Å; L41-Q43 VanDerWaalsContact C-N 3.28Å; L41-Q43 PolarHBondContact O-N 3.29Å; Q43-K46 WeakPolarHBondContact O-CB 3.41Å; Q43-K46 PolarHBondContact O-N 3.26Å; Q43-E47 PolarHBondContact O-N 3.44Å
44	G	91.7	Very high	83.5	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.5	-45.7	176.3	0	0	0	0	0	112.8	V40 L41 K46 E47 M48	V40-G44 PolarHBondContact O-N 3.44Å; L41-G44 PolarHBondContact O-N 2.95Å; G44-K46 VanDerWaalsContact C-N 3.33Å; G44-K46 PolarHBondContact O-N 2.9Å; G44-E47 PolarHBondContact O-N 2.93Å; G44-M48 WeakPolarHBondContact O-CG 3.17Å; G44-M48 PolarHBondContact O-N 3.22Å
45	Y	90.8	Very high	85.3	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-38.9	175	-82.2	-60.5	0	0	0	112.9	M26 F29 L41 L42 M48 S49 L55 L244 E272	M26-Y45 HydrophobicContact CG-CD1 4.14Å; M26-Y45 HydrophobicContact SD-CD1 4.29Å; F29-Y45 HydrophobicContact CD1-CD1 4.34Å; F29-Y45 HydrophobicContact CD1-CD2 4.14Å; F29-Y45 AromaticContact CD1-CE1 3.98Å; F29-Y45 HydrophobicContact CD1-CE1 3.98Å; F29-Y45 AromaticContact CD1-CE2 3.76Å; F29-Y45 HydrophobicContact CD1-CE2 3.76Å; F29-Y45 HydrophobicContact CD1-CG 4.42Å; F29-Y45 AromaticContact CD1-CZ 3.66Å; F29-Y45 HydrophobicContact CE1-CD2 4.17Å; F29-Y45 HydrophobicContact CE1-CE1 4.1Å; F29-Y45 AromaticContact CE1-CE2 3.38Å; F29-Y45 HydrophobicContact CE1-CE2 3.38Å; F29-Y45 AromaticContact CE1-CZ 3.33Å; F29-Y45 WeakPolarHBondContact CE1-OH 3.23Å; L41-Y45 VanDerWaalsContact O-CD2 3.28Å; L41-Y45 WeakPolarHBondContact O-CD2 3.47Å; L41-Y45 PolarHBondContact O-N 3.46Å; L42-Y45 PolarHBondContact O-N 2.99Å; Y45-M48 PolarHBondContact O-N 2.88Å; Y45-S49 PolarHBondContact O-N 3.38Å; Y45-L55 HydrophobicContact CE1-CD2 3.89Å; Y45-L244 HydrophobicContact CD1-CD1 3.88Å; Y45-L244 HydrophobicContact CD2-CD1 3.69Å; Y45-L244 HydrophobicContact CE1-CD1 3.46Å; Y45-L244 VanDerWaalsContact CE1-CD1 3.46Å; Y45-L244 HydrophobicContact CE2-CD1 3.25Å; Y45-L244 HydrophobicContact CG-CD1 3.98Å; Y45-E272 HydrophobicContact CE2-CG 4.49Å; Y45-E272 WeakPolarHBondContact CE2-OE1 3.28Å; Y45-E272 PolarHBondContact OH-OE1 2.88Å
46	K	89.1	Confident	87.1	Confident	133 Å²	133	53.2 Å²	53.2	58%	0.578	31%	0.309	S	S	*	.	H	α-helix	trans	-61	-45.8	175.2	-178.2	-179.4	176.6	-176	0	111	L42 Q43 G44 S49	L42-K46 WeakPolarHBondContact O-CB 3.4Å; L42-K46 PolarHBondContact O-N 3.48Å; Q43-K46 WeakPolarHBondContact O-CB 3.41Å; Q43-K46 PolarHBondContact O-N 3.26Å; G44-K46 VanDerWaalsContact C-N 3.33Å; G44-K46 PolarHBondContact O-N 2.9Å; K46-S49 PolarHBondContact O-N 3.28Å; K46-S49 PolarHBondContact O-OG 2.65Å
47	E	90.8	Very high	88.4	Confident	95 Å²	95	55 Å²	55	44%	0.444	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-43.6	177.5	-172.1	169.6	153.8	0	0	112.2	Q43 G44 S49 A50 F252	Q43-E47 PolarHBondContact O-N 3.44Å; G44-E47 PolarHBondContact O-N 2.93Å; E47-S49 PolarHBondContact O-N 3.17Å; E47-A50 WeakPolarHBondContact O-CB 3.5Å; E47-A50 PolarHBondContact O-N 3.43Å; E47-F252 HydrophobicContact CB-CE1 4.2Å; E47-F252 HydrophobicContact CB-CZ 4.17Å; E47-F252 HydrophobicContact CG-CE1 3.89Å; E47-F252 HydrophobicContact CG-CZ 4.35Å; E47-F252 VanDerWaalsContact OE1-CE1 3.27Å; E47-F252 WeakPolarHBondContact OE1-CE1 3.37Å
48	M	91.3	Very high	89.4	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-29.9	175.9	-72	-169.2	71.1	0	0	112.9	M26 G44 Y45 A50 K51 F52 Y242 L244 F252 V270 P280	M26-M48 HydrophobicContact CE-CB 3.5Å; M26-M48 VanDerWaalsContact CE-O 3.24Å; M26-M48 WeakPolarHBondContact CE-O 3.18Å; M26-M48 HydrophobicContact SD-CB 4.07Å; G44-M48 WeakPolarHBondContact O-CG 3.17Å; G44-M48 PolarHBondContact O-N 3.22Å; Y45-M48 PolarHBondContact O-N 2.88Å; M48-A50 PolarHBondContact O-N 3.2Å; M48-A50 VanDerWaalsContact O-N 3.11Å; M48-K51 PolarHBondContact O-N 2.96Å; M48-F52 HydrophobicContact CB-CD2 4.38Å; M48-F52 HydrophobicContact CE-CD2 3.71Å; M48-F52 HydrophobicContact CE-CE2 3.85Å; M48-F52 PolarHBondContact O-N 3.19Å; M48-Y242 HydrophobicContact CE-CD1 4.37Å; M48-Y242 HydrophobicContact CE-CD2 3.7Å; M48-Y242 HydrophobicContact CE-CE2 4.28Å; M48-Y242 HydrophobicContact CE-CG 3.76Å; M48-Y242 HydrophobicContact CG-CD1 3.71Å; M48-Y242 HydrophobicContact CG-CE1 4.22Å; M48-Y242 HydrophobicContact CG-CG 3.98Å; M48-Y242 VanDerWaalsContact SD-CB 3.54Å; M48-Y242 HydrophobicContact SD-CD1 4.11Å; M48-Y242 HydrophobicContact SD-CD2 4.31Å; M48-Y242 HydrophobicContact SD-CG 3.74Å; M48-L244 HydrophobicContact CG-CD2 4.38Å; M48-L244 HydrophobicContact SD-CD2 3.67Å; M48-F252 HydrophobicContact CG-CZ 4.16Å; M48-V270 HydrophobicContact CE-CB 3.92Å; M48-V270 HydrophobicContact CE-CG1 4.46Å; M48-V270 HydrophobicContact CE-CG2 4.11Å; M48-V270 HydrophobicContact SD-CB 3.96Å; M48-V270 HydrophobicContact SD-CG2 3.46Å; M48-V270 WeakPolarHBondContact SD-CG2 3.03Å; M48-P280 HydrophobicContact CE-CB 3.6Å; M48-P280 HydrophobicContact CE-CG 3.96Å
49	S	88.9	Confident	89.8	Confident	58 Å²	58	57.8 Å²	57.8	41%	0.406	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-14.1	-176.5	74.2	0	0	0	0	113.9	M26 Y45 K46 E47 K51	M26-S49 VanDerWaalsContact CE-N 3.27Å; Y45-S49 PolarHBondContact O-N 3.38Å; K46-S49 PolarHBondContact O-N 3.28Å; K46-S49 PolarHBondContact O-OG 2.65Å; E47-S49 PolarHBondContact O-N 3.17Å; S49-K51 VanDerWaalsContact C-N 3.28Å
50	A	88	Confident	89.9	Confident	92 Å²	92	54.4 Å²	54.4	76%	0.76	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-21.1	170	0	0	0	0	0	113.6	E47 M48	E47-A50 WeakPolarHBondContact O-CB 3.5Å; E47-A50 PolarHBondContact O-N 3.43Å; M48-A50 PolarHBondContact O-N 3.2Å; M48-A50 VanDerWaalsContact O-N 3.11Å
51	K	89.6	Confident	90.1	Very high	136 Å²	136	54.2 Å²	54.2	59%	0.591	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	-28.9	-175.2	-65.5	-177.3	-176.7	177.1	0	113.8	M48 S49	M48-K51 PolarHBondContact O-N 2.96Å; S49-K51 VanDerWaalsContact C-N 3.28Å
52	F	90.9	Very high	90.4	Very high	25 Å²	25	56.2 Å²	56.2	11%	0.11	29%	0.29	C	S	.	.			trans	-125.6	142.7	-177.2	-48.2	-83.4	0	0	0	110	M26 M48 Y242 C268 P280 A282	M26-F52 HydrophobicContact CE-CB 3.7Å; M26-F52 WeakPolarHBondContact CE-O 3.46Å; M26-F52 HydrophobicContact SD-CB 4.45Å; M48-F52 HydrophobicContact CB-CD2 4.38Å; M48-F52 HydrophobicContact CE-CD2 3.71Å; M48-F52 HydrophobicContact CE-CE2 3.85Å; M48-F52 PolarHBondContact O-N 3.19Å; F52-Y242 HydrophobicContact CE2-CD2 4.37Å; F52-Y242 AromaticContact CE2-CE2 3.63Å; F52-Y242 HydrophobicContact CE2-CE2 3.63Å; F52-Y242 AromaticContact CE2-CZ 3.81Å; F52-Y242 AromaticContact CZ-CE2 3.93Å; F52-Y242 HydrophobicContact CZ-CE2 3.93Å; F52-C268 HydrophobicContact CE1-CB 4.36Å; F52-C268 HydrophobicContact CZ-CB 4.1Å; F52-P280 HydrophobicContact CB-CB 4.1Å; F52-P280 HydrophobicContact CD1-CB 3.74Å; F52-P280 HydrophobicContact CD1-CG 4.32Å; F52-P280 HydrophobicContact CD2-CB 3.86Å; F52-P280 HydrophobicContact CE1-CB 4.06Å; F52-P280 HydrophobicContact CE1-CG 4.12Å; F52-P280 HydrophobicContact CE2-CB 4.17Å; F52-P280 HydrophobicContact CE2-CG 4.35Å; F52-P280 HydrophobicContact CG-CB 3.63Å; F52-P280 HydrophobicContact CZ-CB 4.26Å; F52-P280 HydrophobicContact CZ-CG 4.14Å; F52-A282 HydrophobicContact CD1-CB 4.19Å
53	S	88	Confident	90.9	Very high	24 Å²	24	54.7 Å²	54.7	17%	0.168	28%	0.281	C	S	.	.	S	Bend	trans	-95.8	-27.7	-180	52.7	0	0	0	0	111.6	M26 V281 E283	M26-S53 PolarHBondContact N-O 3.29Å; S53-V281 PolarHBondContact N-O 3.26Å; S53-V281 PolarHBondContact OG-O 3.08Å; S53-E283 WeakPolarHBondContact OG-CG 3.36Å; S53-E283 PolarHBondContact OG-N 3.3Å
54	H	89.1	Confident	91.2	Very high	51 Å²	51	51.2 Å²	51.2	24%	0.236	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	157.1	-173.6	-60.1	78.2	0	0	0	112.7	T23 L24 V281 E283	T23-H54 HydrophobicContact CG2-CB 3.79Å; L24-H54 CarbonylContact O-C 3.52Å; L24-H54 VanDerWaalsContact O-CA 3.25Å; L24-H54 WeakPolarHBondContact O-CA 3.39Å; L24-H54 WeakPolarHBondContact O-CB 3.39Å; H54-V281 HydrophobicContact CB-CB 4.1Å; H54-V281 PolarHBondContact N-O 2.94Å; H54-V281 VanDerWaalsContact N-O 3.07Å; H54-V281 PolarHBondContact O-N 3.28Å; H54-E283 IonicContact CE1-OE1 2.77Å
55	L	89.3	Confident	91.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.1	171.2	-173.9	68.6	0	0	0	109.6	L24 Y45 V270 N278	L24-L55 PolarHBondContact N-O 3.14Å; L24-L55 PolarHBondContact O-N 3.44Å; Y45-L55 HydrophobicContact CE1-CD2 3.89Å; L55-V270 HydrophobicContact CD1-CG1 3.33Å; L55-N278 HydrophobicContact CD1-CB 3.74Å; L55-N278 HydrophobicContact CD2-CB 4.4Å; L55-N278 HydrophobicContact CG-CB 4.16Å
56	R	90.3	Very high	91.9	Very high	14 Å²	14	51.4 Å²	51.4	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.9	170.4	173	159.8	-60.1	176.7	4	110.2	S22 T23 E153 N278 V279 V281	S22-R56 WeakPolarHBondContact O-CA 3.38Å; T23-R56 PolarHBondContact OG1-NE 3.44Å; T23-R56 PolarHBondContact OG1-NH2 2.9Å; R56-E153 IonicContact CZ-OE1 3.12Å; R56-E153 VanDerWaalsContact NH1-CG 3.32Å; R56-E153 IonicContact NH1-OE1 2.96Å; R56-E153 PolarHBondContact NH1-OE1 3.42Å; R56-E153 IonicContact NH2-OE1 2.63Å; R56-E153 PolarHBondContact NH2-OE1 2.96Å; R56-N278 WeakPolarHBondContact O-CB 3.13Å; R56-V279 HydrophobicContact CB-CB 4.05Å; R56-V279 HydrophobicContact CB-CG1 4.48Å; R56-V279 WeakPolarHBondContact CB-O 3.47Å; R56-V279 HydrophobicContact CG-CB 4.47Å; R56-V279 PolarHBondContact N-O 3.27Å; R56-V279 PolarHBondContact O-N 3.17Å; R56-V281 HydrophobicContact CB-CG2 4.23Å
57	R	90.4	Very high	92.4	Very high	116 Å²	116	45.5 Å²	45.5	44%	0.438	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-76.8	128.2	175.9	-70.3	-176.1	61.1	176.7	3.2	110.2	S22 L24 N278	S22-R57 PolarHBondContact O-N 2.99Å; L24-R57 HydrophobicContact CD1-CG 4.26Å; R57-N278 VanDerWaalsContact CA-OD1 3.32Å; R57-N278 WeakPolarHBondContact CA-OD1 3.45Å
58	V	92.9	Very high	92.7	Very high	21 Å²	21	41 Å²	41	13%	0.127	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-97.9	150	172.2	-178.1	0	0	0	0	108.4	G60 R67 A68 Y277 N278 V279	V58-G60 PolarHBondContact O-N 3.41Å; V58-G60 VanDerWaalsContact O-N 3.15Å; V58-R67 HydrophobicContact CG1-CB 4.06Å; V58-R67 HydrophobicContact CG1-CG 3.85Å; V58-A68 HydrophobicContact CG1-CB 4.27Å; V58-A68 HydrophobicContact CG2-CB 3.89Å; V58-Y277 WeakPolarHBondContact CB-O 3.47Å; V58-Y277 WeakPolarHBondContact CG2-O 3.31Å; V58-N278 PolarHBondContact N-OD1 3.3Å; V58-V279 HydrophobicContact CG2-CG2 3.97Å
59	R	91.6	Very high	93.1	Very high	150 Å²	150	41 Å²	41	57%	0.566	22%	0.22	S	C	*	.	P	Polyproline II helix	trans	-57.7	119.3	173.1	-178.8	175.2	168.5	166.6	-0.6	109.6	D61 C64 R67	R59-D61 WeakPolarHBondContact CD-OD2 3.18Å; R59-D61 HydrophobicContact CG-CB 4.3Å; R59-D61 IonicContact CZ-OD2 3.46Å; R59-D61 IonicContact NE-OD2 2.78Å; R59-D61 PolarHBondContact NE-OD2 2.78Å; R59-D61 IonicContact NH2-OD2 3.81Å; R59-D61 PolarHBondContact O-N 3.45Å; R59-C64 PolarHBondContact O-SG 3.06Å; R59-R67 PolarHBondContact O-NH1 2.98Å
60	G	90.1	Very high	93.5	Very high	51 Å²	51	38.2 Å²	38.2	53%	0.526	20%	0.201	S	C	.	.			trans	-82	57.1	-179.9	0	0	0	0	0	112.6	V58	V58-G60 PolarHBondContact O-N 3.41Å; V58-G60 VanDerWaalsContact O-N 3.15Å
61	D	93.8	Very high	94	Very high	41 Å²	41	34.3 Å²	34.3	22%	0.219	17%	0.167	C	C	.	.	S	Bend	trans	-106	-174.5	169.5	65.3	18.7	0	0	0	110.7	R59 Y63 C64 R67	R59-D61 WeakPolarHBondContact CD-OD2 3.18Å; R59-D61 HydrophobicContact CG-CB 4.3Å; R59-D61 IonicContact CZ-OD2 3.46Å; R59-D61 IonicContact NE-OD2 2.78Å; R59-D61 PolarHBondContact NE-OD2 2.78Å; R59-D61 IonicContact NH2-OD2 3.81Å; R59-D61 PolarHBondContact O-N 3.45Å; D61-Y63 PolarHBondContact O-N 3.21Å; D61-Y63 WeakPolarHBondContact OD1-CA 3.42Å; D61-Y63 WeakPolarHBondContact OD1-CB 3.5Å; D61-Y63 PolarHBondContact OD1-N 3.25Å; D61-C64 WeakPolarHBondContact O-CB 3.22Å; D61-C64 PolarHBondContact O-N 2.94Å; D61-R67 IonicContact OD1-CZ 2.69Å; D61-R67 IonicContact OD1-NH1 3.83Å; D61-R67 PolarHBondContact OD1-NH1 3.21Å; D61-R67 IonicContact OD1-NH2 3.34Å; D61-R67 PolarHBondContact OD1-NH2 3.45Å; D61-R67 IonicContact OD2-CZ 3.98Å; D61-R67 IonicContact OD2-NH1 2.8Å; D61-R67 IonicContact OD2-NH2 3.89Å; D61-R67 PolarHBondContact OD2-NH2 2.69Å
62	N	95.9	Very high	94.3	Very high	54 Å²	54	28.3 Å²	28.3	29%	0.289	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-0.5	-178.2	-76.2	-30.3	0	0	0	114.5	G218 L219 S220 A221	N62-G218 WeakPolarHBondContact O-CA 3.29Å; N62-G218 PolarHBondContact O-N 3.15Å; N62-L219 VanDerWaalsContact ND2-C 3.28Å; N62-L219 PolarHBondContact ND2-O 3.33Å; N62-S220 VanDerWaalsContact ND2-C 3.34Å; N62-S220 WeakPolarHBondContact ND2-CA 3.35Å; N62-S220 PolarHBondContact ND2-N 2.94Å; N62-A221 VanDerWaalsContact CB-O 3.23Å; N62-A221 WeakPolarHBondContact CB-O 3.48Å
63	Y	96.8	Very high	94.7	Very high	8 Å²	8	27.2 Å²	27.2	3%	0.031	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	3.3	169.8	-74.7	-69.2	0	0	0	113.5	D61 A65 L66 R67 P109 L163 L166 E167 K170 G218	D61-Y63 PolarHBondContact O-N 3.21Å; D61-Y63 WeakPolarHBondContact OD1-CA 3.42Å; D61-Y63 WeakPolarHBondContact OD1-CB 3.5Å; D61-Y63 PolarHBondContact OD1-N 3.25Å; Y63-A65 PolarHBondContact O-N 3.49Å; Y63-L66 HydrophobicContact CD1-CD1 4.04Å; Y63-L66 HydrophobicContact CE1-CD1 4.48Å; Y63-L66 PolarHBondContact O-N 3.26Å; Y63-L66 VanDerWaalsContact O-N 3.15Å; Y63-R67 WeakPolarHBondContact O-CB 3.21Å; Y63-R67 PolarHBondContact O-N 3.01Å; Y63-P109 WeakPolarHBondContact OH-CG 3.4Å; Y63-L163 HydrophobicContact CD2-CD2 4.21Å; Y63-L163 HydrophobicContact CE2-CD2 3.89Å; Y63-L166 HydrophobicContact CD1-CB 3.81Å; Y63-L166 HydrophobicContact CD1-CD1 3.84Å; Y63-L166 HydrophobicContact CD1-CG 4.3Å; Y63-L166 HydrophobicContact CD2-CD1 4.29Å; Y63-L166 HydrophobicContact CE1-CB 3.88Å; Y63-L166 HydrophobicContact CE1-CD1 4.45Å; Y63-L166 HydrophobicContact CG-CD1 3.75Å; Y63-E167 PolarHBondContact OH-OE1 2.92Å; Y63-K170 HydrophobicContact CE1-CD 4.23Å; Y63-G218 VanDerWaalsContact CD2-CA 3.46Å
64	C	97	Very high	95.1	Very high	3 Å²	3	26 Å²	26	2%	0.02	13%	0.128	C	C	.	.	H	α-helix	trans	-50.5	-49.2	-167.8	-167.1	0	0	0	0	113.8	R59 D61 R67 A68 Y277	R59-C64 PolarHBondContact O-SG 3.06Å; D61-C64 WeakPolarHBondContact O-CB 3.22Å; D61-C64 PolarHBondContact O-N 2.94Å; C64-R67 PolarHBondContact O-N 3.12Å; C64-A68 VanDerWaalsContact O-CB 3.28Å; C64-A68 WeakPolarHBondContact O-CB 3.44Å; C64-A68 PolarHBondContact O-N 2.82Å; C64-Y277 PolarHBondContact SG-N 3.23Å; C64-Y277 PolarHBondContact SG-O 3.47Å; C64-Y277 VanDerWaalsContact SG-O 3.32Å
65	A	98.1	Very high	95.4	Very high	6 Å²	6	24 Å²	24	5%	0.05	12%	0.119	C	C	.	.	H	α-helix	trans	-63.8	-47.4	179.8	0	0	0	0	0	113.2	Y63 R67 A68 T69 L223 M228 Y277	Y63-A65 PolarHBondContact O-N 3.49Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 3.45Å; A65-A68 PolarHBondContact O-N 3.2Å; A65-T69 WeakPolarHBondContact O-CB 3.24Å; A65-T69 PolarHBondContact O-N 3.22Å; A65-T69 PolarHBondContact O-OG1 2.79Å; A65-L223 HydrophobicContact CB-CB 4.23Å; A65-L223 HydrophobicContact CB-CD1 4.05Å; A65-L223 HydrophobicContact CB-CG 4.31Å; A65-M228 HydrophobicContact CB-CE 4.49Å; A65-M228 HydrophobicContact CB-SD 3.77Å; A65-Y277 HydrophobicContact CB-CD2 3.73Å; A65-Y277 HydrophobicContact CB-CE2 3.86Å; A65-Y277 HydrophobicContact CB-CG 4.45Å
66	L	98.6	Very high	95.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-44.6	177.1	-68.7	178.5	0	0	0	111.1	Y63 T69 L70 L166 L169 K170 M173 V217 L223 L231	Y63-L66 HydrophobicContact CD1-CD1 4.04Å; Y63-L66 HydrophobicContact CE1-CD1 4.48Å; Y63-L66 PolarHBondContact O-N 3.26Å; Y63-L66 VanDerWaalsContact O-N 3.15Å; L66-T69 PolarHBondContact O-N 2.97Å; L66-L70 WeakPolarHBondContact O-CB 3.24Å; L66-L70 PolarHBondContact O-N 3.11Å; L66-L166 HydrophobicContact CB-CD2 3.66Å; L66-L169 HydrophobicContact CB-CD2 4.49Å; L66-L169 HydrophobicContact CD2-CB 4.17Å; L66-L169 HydrophobicContact CD2-CD2 4.15Å; L66-K170 HydrophobicContact CD1-CD 4.27Å; L66-K170 HydrophobicContact CD1-CG 3.84Å; L66-M173 HydrophobicContact CD2-SD 3.9Å; L66-V217 HydrophobicContact CD1-CG1 3.63Å; L66-V217 HydrophobicContact CG-CG1 4.42Å; L66-L223 HydrophobicContact CD2-CD1 3.73Å; L66-L223 HydrophobicContact CG-CD1 4.02Å; L66-L223 HydrophobicContact CG-CG 4.39Å; L66-L231 HydrophobicContact CD2-CD1 3.62Å; L66-L231 HydrophobicContact CD2-CD2 3.9Å; L66-L231 HydrophobicContact CD2-CG 4.35Å
67	R	98.3	Very high	95.8	Very high	9 Å²	9	27.7 Å²	27.7	3%	0.034	14%	0.139	C	C	.	.	H	α-helix	trans	-64.8	-48.1	179.5	-175.8	179.4	-61.2	98.1	-1.1	112.2	V58 R59 D61 Y63 C64 A65 T69 L70 F71 F156 E162 L166	V58-R67 HydrophobicContact CG1-CB 4.06Å; V58-R67 HydrophobicContact CG1-CG 3.85Å; R59-R67 PolarHBondContact O-NH1 2.98Å; D61-R67 IonicContact OD1-CZ 2.69Å; D61-R67 IonicContact OD1-NH1 3.83Å; D61-R67 PolarHBondContact OD1-NH1 3.21Å; D61-R67 IonicContact OD1-NH2 3.34Å; D61-R67 PolarHBondContact OD1-NH2 3.45Å; D61-R67 IonicContact OD2-CZ 3.98Å; D61-R67 IonicContact OD2-NH1 2.8Å; D61-R67 IonicContact OD2-NH2 3.89Å; D61-R67 PolarHBondContact OD2-NH2 2.69Å; Y63-R67 WeakPolarHBondContact O-CB 3.21Å; Y63-R67 PolarHBondContact O-N 3.01Å; C64-R67 PolarHBondContact O-N 3.12Å; A65-R67 VanDerWaalsContact C-N 3.34Å; A65-R67 PolarHBondContact O-N 3.45Å; R67-T69 VanDerWaalsContact C-N 3.3Å; R67-T69 PolarHBondContact O-N 2.74Å; R67-L70 PolarHBondContact O-N 3.18Å; R67-F71 WeakPolarHBondContact O-CB 3.5Å; R67-F71 PolarHBondContact O-N 3.35Å; R67-F156 HydrophobicContact CG-CD1 3.71Å; R67-F156 HydrophobicContact CG-CE1 4.13Å; R67-E162 IonicContact CZ-OE1 3.35Å; R67-E162 IonicContact NE-OE1 2.7Å; R67-E162 PolarHBondContact NE-OE1 3.45Å; R67-E162 IonicContact NE-OE2 3.94Å; R67-E162 IonicContact NH2-OE1 2.99Å; R67-E162 PolarHBondContact NH2-OE1 2.99Å; R67-L166 HydrophobicContact CB-CD2 4.27Å
68	A	98.2	Very high	95.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62	-42.2	-179.6	0	0	0	0	0	110.9	V58 C64 A65 Q72 L269 V279	V58-A68 HydrophobicContact CG1-CB 4.27Å; V58-A68 HydrophobicContact CG2-CB 3.89Å; C64-A68 VanDerWaalsContact O-CB 3.28Å; C64-A68 WeakPolarHBondContact O-CB 3.44Å; C64-A68 PolarHBondContact O-N 2.82Å; A65-A68 PolarHBondContact O-N 3.2Å; A68-Q72 PolarHBondContact O-N 3.23Å; A68-Q72 VanDerWaalsContact O-N 3.16Å; A68-L269 HydrophobicContact CB-CD1 4.3Å; A68-L269 HydrophobicContact CB-CD2 3.77Å; A68-V279 HydrophobicContact CB-CG2 4.23Å
69	T	98.7	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-54.7	176.9	-54.6	0	0	0	0	111.1	A65 L66 R67 F71 Q72 V73 L231 L235 I239 V267	A65-T69 WeakPolarHBondContact O-CB 3.24Å; A65-T69 PolarHBondContact O-N 3.22Å; A65-T69 PolarHBondContact O-OG1 2.79Å; L66-T69 PolarHBondContact O-N 2.97Å; R67-T69 VanDerWaalsContact C-N 3.3Å; R67-T69 PolarHBondContact O-N 2.74Å; T69-F71 VanDerWaalsContact C-N 3.28Å; T69-F71 PolarHBondContact O-N 2.76Å; T69-Q72 PolarHBondContact O-N 3.24Å; T69-Q72 VanDerWaalsContact O-N 3.12Å; T69-V73 HydrophobicContact CG2-CG2 4.24Å; T69-V73 WeakPolarHBondContact O-CB 3.45Å; T69-V73 VanDerWaalsContact O-CG2 3.28Å; T69-V73 WeakPolarHBondContact O-CG2 3.28Å; T69-V73 PolarHBondContact O-N 2.86Å; T69-L231 HydrophobicContact CG2-CD2 3.95Å; T69-L231 HydrophobicContact CG2-CG 4.36Å; T69-L235 HydrophobicContact CG2-CD1 3.82Å; T69-I239 HydrophobicContact CG2-CD1 3.79Å; T69-I239 HydrophobicContact CG2-CG1 4.11Å; T69-V267 HydrophobicContact CG2-CG2 4.43Å
70	L	98.6	Very high	96.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-37	-178.1	-171.1	61	0	0	0	111.9	L66 R67 Q72 V73 L74 L132 F156 M165 L169	L66-L70 WeakPolarHBondContact O-CB 3.24Å; L66-L70 PolarHBondContact O-N 3.11Å; R67-L70 PolarHBondContact O-N 3.18Å; L70-Q72 PolarHBondContact O-N 3Å; L70-V73 PolarHBondContact O-N 3.07Å; L70-L74 HydrophobicContact CD1-CD1 4.11Å; L70-L74 HydrophobicContact CD1-CD2 4.47Å; L70-L74 HydrophobicContact CD1-CG 3.97Å; L70-L74 HydrophobicContact CD2-CD1 4.41Å; L70-L74 HydrophobicContact CG-CD1 3.89Å; L70-L74 HydrophobicContact CG-CG 4.16Å; L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.1Å; L70-L74 PolarHBondContact O-N 3.37Å; L70-L132 HydrophobicContact CD1-CD1 3.93Å; L70-L132 HydrophobicContact CD2-CD1 4.39Å; L70-F156 HydrophobicContact CB-CE1 4.37Å; L70-F156 HydrophobicContact CB-CZ 4.03Å; L70-F156 HydrophobicContact CD2-CE1 4.15Å; L70-F156 HydrophobicContact CD2-CZ 3.87Å; L70-F156 HydrophobicContact CG-CE1 4.4Å; L70-F156 HydrophobicContact CG-CZ 3.79Å; L70-M165 HydrophobicContact CD2-CB 3.81Å; L70-M165 HydrophobicContact CD2-SD 4.38Å; L70-L169 HydrophobicContact CB-CD2 3.94Å; L70-L169 HydrophobicContact CD1-CD1 3.96Å; L70-L169 HydrophobicContact CD1-CD2 4.28Å; L70-L169 HydrophobicContact CD2-CD1 4.12Å; L70-L169 HydrophobicContact CD2-CD2 4.35Å; L70-L169 HydrophobicContact CG-CD2 4.4Å
71	F	97.9	Very high	96.4	Very high	11 Å²	11	26.5 Å²	26.5	5%	0.048	13%	0.134	C	C	.	.	H	α-helix	trans	-55.5	-52.1	173.1	-175.8	-75.6	0	0	0	111.1	R67 T69 S75 Q149 C152 F156 V279	R67-F71 WeakPolarHBondContact O-CB 3.5Å; R67-F71 PolarHBondContact O-N 3.35Å; T69-F71 VanDerWaalsContact C-N 3.28Å; T69-F71 PolarHBondContact O-N 2.76Å; F71-S75 VanDerWaalsContact O-CB 3.26Å; F71-S75 WeakPolarHBondContact O-CB 3.08Å; F71-S75 PolarHBondContact O-N 3.14Å; F71-S75 PolarHBondContact O-OG 2.74Å; F71-Q149 HydrophobicContact CZ-CG 4.32Å; F71-C152 HydrophobicContact CD2-CB 3.84Å; F71-C152 HydrophobicContact CE1-CB 4.36Å; F71-C152 HydrophobicContact CE2-CB 3.29Å; F71-C152 HydrophobicContact CZ-CB 3.49Å; F71-C152 VanDerWaalsContact CZ-CB 3.49Å; F71-F156 HydrophobicContact CB-CD2 4.34Å; F71-F156 HydrophobicContact CB-CE2 4.17Å; F71-F156 HydrophobicContact CB-CZ 4.44Å; F71-F156 HydrophobicContact CD2-CB 4.35Å; F71-F156 AromaticContact CD2-CD2 3.53Å; F71-F156 HydrophobicContact CD2-CD2 3.53Å; F71-F156 HydrophobicContact CD2-CE2 4.07Å; F71-F156 HydrophobicContact CD2-CG 4.06Å; F71-F156 HydrophobicContact CE2-CD2 4.19Å; F71-F156 HydrophobicContact CG-CD2 4.38Å; F71-V279 HydrophobicContact CD1-CG1 4.26Å; F71-V279 HydrophobicContact CD1-CG2 4.21Å
72	Q	97	Very high	96.4	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-63.6	-47.7	-179.6	-79.6	-77.8	69.3	0	0	111.5	A68 T69 L70 L74 S75 Q76 V267 C268 L269 V279	A68-Q72 PolarHBondContact O-N 3.23Å; A68-Q72 VanDerWaalsContact O-N 3.16Å; T69-Q72 PolarHBondContact O-N 3.24Å; T69-Q72 VanDerWaalsContact O-N 3.12Å; L70-Q72 PolarHBondContact O-N 3Å; Q72-L74 PolarHBondContact O-N 3.31Å; Q72-S75 WeakPolarHBondContact CA-OG 3.14Å; Q72-S75 PolarHBondContact O-N 2.91Å; Q72-S75 PolarHBondContact O-OG 3.02Å; Q72-S75 VanDerWaalsContact O-OG 3.04Å; Q72-Q76 VanDerWaalsContact NE2-NE2 3.12Å; Q72-Q76 WeakPolarHBondContact O-CB 3.35Å; Q72-Q76 VanDerWaalsContact O-CG 3.31Å; Q72-Q76 WeakPolarHBondContact O-CG 3.49Å; Q72-Q76 PolarHBondContact O-N 3.12Å; Q72-V267 HydrophobicContact CB-CB 3.7Å; Q72-V267 HydrophobicContact CB-CG1 3.72Å; Q72-V267 HydrophobicContact CG-CB 4.48Å; Q72-C268 PolarHBondContact NE2-O 3.48Å; Q72-L269 HydrophobicContact CG-CD2 4Å; Q72-V279 HydrophobicContact CG-CB 4.33Å; Q72-V279 HydrophobicContact CG-CG1 3.67Å; Q72-V279 HydrophobicContact CG-CG2 3.81Å
73	V	97.6	Very high	96.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-53.2	-52.4	178.1	167.3	0	0	0	0	111	T69 L70 Q76 S77 W136 L235 V267	T69-V73 HydrophobicContact CG2-CG2 4.24Å; T69-V73 WeakPolarHBondContact O-CB 3.45Å; T69-V73 VanDerWaalsContact O-CG2 3.28Å; T69-V73 WeakPolarHBondContact O-CG2 3.28Å; T69-V73 PolarHBondContact O-N 2.86Å; L70-V73 PolarHBondContact O-N 3.07Å; V73-Q76 PolarHBondContact O-N 3.19Å; V73-S77 VanDerWaalsContact O-CB 3.24Å; V73-S77 WeakPolarHBondContact O-CB 3.41Å; V73-S77 PolarHBondContact O-N 2.92Å; V73-S77 PolarHBondContact O-OG 3.06Å; V73-W136 HydrophobicContact CG1-CD2 4.4Å; V73-W136 HydrophobicContact CG1-CE3 4.43Å; V73-W136 HydrophobicContact CG1-CH2 3.14Å; V73-W136 HydrophobicContact CG1-CZ2 3.02Å; V73-W136 HydrophobicContact CG1-CZ3 3.86Å; V73-L235 HydrophobicContact CG2-CD1 4.49Å; V73-V267 HydrophobicContact CG2-CG1 3.84Å; V73-V267 HydrophobicContact CG2-CG2 4.49Å
74	L	97.4	Very high	96.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.7	-38.1	-179.1	-67.3	179.6	0	0	0	112.7	L70 Q72 Q76 T135 W136 A139 C152 L155 F156	L70-L74 HydrophobicContact CD1-CD1 4.11Å; L70-L74 HydrophobicContact CD1-CD2 4.47Å; L70-L74 HydrophobicContact CD1-CG 3.97Å; L70-L74 HydrophobicContact CD2-CD1 4.41Å; L70-L74 HydrophobicContact CG-CD1 3.89Å; L70-L74 HydrophobicContact CG-CG 4.16Å; L70-L74 WeakPolarHBondContact O-CB 3.38Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.1Å; L70-L74 PolarHBondContact O-N 3.37Å; Q72-L74 PolarHBondContact O-N 3.31Å; L74-Q76 VanDerWaalsContact C-N 3.26Å; L74-Q76 PolarHBondContact O-N 3.3Å; L74-T135 HydrophobicContact CD1-CG2 4.2Å; L74-W136 HydrophobicContact CD2-CB 3.83Å; L74-W136 HydrophobicContact CD2-CD2 3.8Å; L74-W136 HydrophobicContact CD2-CE3 4.2Å; L74-W136 HydrophobicContact CD2-CG 3.62Å; L74-A139 HydrophobicContact CB-CB 4.26Å; L74-A139 HydrophobicContact CD2-CB 4.3Å; L74-C152 VanDerWaalsContact CB-SG 3.59Å; L74-L155 HydrophobicContact CD1-CD2 3.82Å; L74-F156 HydrophobicContact CD1-CE2 4Å; L74-F156 HydrophobicContact CD1-CZ 4.03Å
75	S	95.6	Very high	96.2	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.049	18%	0.177	C	C	.	.	H	α-helix	trans	-71.3	-21.7	-178.6	66.1	0	0	0	0	113.6	F71 Q72 R148	F71-S75 VanDerWaalsContact O-CB 3.26Å; F71-S75 WeakPolarHBondContact O-CB 3.08Å; F71-S75 PolarHBondContact O-N 3.14Å; F71-S75 PolarHBondContact O-OG 2.74Å; Q72-S75 WeakPolarHBondContact CA-OG 3.14Å; Q72-S75 PolarHBondContact O-N 2.91Å; Q72-S75 PolarHBondContact O-OG 3.02Å; Q72-S75 VanDerWaalsContact O-OG 3.04Å; S75-R148 VanDerWaalsContact O-CB 3.31Å; S75-R148 WeakPolarHBondContact O-CB 3.34Å; S75-R148 WeakPolarHBondContact O-CD 3.44Å; S75-R148 PolarHBondContact O-NE 3.46Å
76	Q	94.2	Very high	95.9	Very high	81 Å²	81	40.1 Å²	40.1	38%	0.379	19%	0.194	S	C	.	.	H	α-helix	trans	-106.5	-17.7	-177.8	-62.9	177.2	16.4	0	0	113.5	Q72 V73 L74 M78	Q72-Q76 VanDerWaalsContact NE2-NE2 3.12Å; Q72-Q76 WeakPolarHBondContact O-CB 3.35Å; Q72-Q76 VanDerWaalsContact O-CG 3.31Å; Q72-Q76 WeakPolarHBondContact O-CG 3.49Å; Q72-Q76 PolarHBondContact O-N 3.12Å; V73-Q76 PolarHBondContact O-N 3.19Å; L74-Q76 VanDerWaalsContact C-N 3.26Å; L74-Q76 PolarHBondContact O-N 3.3Å; Q76-M78 PolarHBondContact O-N 2.8Å
77	S	92.5	Very high	95.7	Very high	12 Å²	12	45 Å²	45	8%	0.084	22%	0.221	C	C	.	.			trans	-64.3	130.4	-178.9	-74.1	0	0	0	0	112.4	V73 W136 R148	V73-S77 VanDerWaalsContact O-CB 3.24Å; V73-S77 WeakPolarHBondContact O-CB 3.41Å; V73-S77 PolarHBondContact O-N 2.92Å; V73-S77 PolarHBondContact O-OG 3.06Å; S77-W136 VanDerWaalsContact CB-NE1 3.3Å; S77-W136 PolarHBondContact OG-NE1 2.92Å; S77-R148 VanDerWaalsContact O-CD 3.22Å; S77-R148 WeakPolarHBondContact O-CD 3.47Å
78	M	93.6	Very high	95.4	Very high	132 Å²	132	48.3 Å²	48.3	65%	0.65	24%	0.242	S	C	*	.	S	Bend	trans	-102.3	-12.2	172.7	-63.3	-64	-62.9	0	0	112.4	Q76 R148	Q76-M78 PolarHBondContact O-N 2.8Å; M78-R148 PolarHBondContact SD-NH1 2.87Å; M78-R148 PolarHBondContact SD-NH2 3.27Å
79	Q	94.4	Very high	95.2	Very high	149 Å²	149	49 Å²	49	70%	0.696	25%	0.246	S	C	*	.	S	Bend	trans	-152.8	160.2	-179.2	61.6	-175	-4.9	0	0	109.7
80	V	94.4	Very high	95	Very high	5 Å²	5	50 Å²	50	3%	0.03	25%	0.251	C	S	.	.			trans	-80.6	132.4	169.8	179.3	0	0	0	0	108.6	L84 Q85 W136 Q137	V80-L84 HydrophobicContact CG1-CB 3.89Å; V80-L84 HydrophobicContact CG1-CD2 4.04Å; V80-L84 HydrophobicContact CG1-CG 4.01Å; V80-Q85 HydrophobicContact CB-CG 4.07Å; V80-Q85 HydrophobicContact CG1-CG 3.72Å; V80-Q85 PolarHBondContact O-NE2 3.4Å; V80-W136 HydrophobicContact CG2-CB 4.33Å; V80-W136 HydrophobicContact CG2-CG 4.48Å; V80-Q137 HydrophobicContact CG2-CB 3.77Å; V80-Q137 HydrophobicContact CG2-CG 4.44Å
81	P	95.1	Very high	94.9	Very high	26 Å²	26	52.7 Å²	52.7	17%	0.169	27%	0.268	C	S	.	.			trans	-66.6	148.3	179.6	28.4	-35.3	0	0	0	111.3	W83 L84 Q85 W136	P81-W83 VanDerWaalsContact C-N 3.26Å; P81-W83 HydrophobicContact CB-CG 4.4Å; P81-W83 HydrophobicContact CG-CD2 4.28Å; P81-W83 HydrophobicContact CG-CZ2 3.74Å; P81-W83 PolarHBondContact O-N 2.83Å; P81-L84 HydrophobicContact CG-CB 3.9Å; P81-L84 PolarHBondContact O-N 3.26Å; P81-Q85 PolarHBondContact O-N 3.49Å; P81-W136 HydrophobicContact CG-CH2 4.19Å; P81-W136 HydrophobicContact CG-CZ2 3.94Å
82	Q	94.9	Very high	94.9	Very high	170 Å²	170	53.3 Å²	53.3	79%	0.794	27%	0.271	S	S	*	.	H	α-helix	trans	-55.4	-39.9	-174.6	-173.3	178.9	5.8	0	0	112.8	L84 Q85 D86	Q82-L84 PolarHBondContact O-N 3.43Å; Q82-Q85 PolarHBondContact O-N 3.21Å; Q82-Q85 VanDerWaalsContact O-N 3.15Å; Q82-D86 PolarHBondContact O-N 3.45Å; Q82-D86 VanDerWaalsContact O-N 3.12Å
83	W	95.3	Very high	94.8	Very high	37 Å²	37	52.9 Å²	52.9	14%	0.14	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-28.5	178.4	66.1	-102.9	0	0	0	113.3	P81 V89 W136 L172 L235 Q236	P81-W83 VanDerWaalsContact C-N 3.26Å; P81-W83 HydrophobicContact CB-CG 4.4Å; P81-W83 HydrophobicContact CG-CD2 4.28Å; P81-W83 HydrophobicContact CG-CZ2 3.74Å; P81-W83 PolarHBondContact O-N 2.83Å; W83-V89 HydrophobicContact CE3-CG2 4.18Å; W83-V89 HydrophobicContact CZ3-CG2 4.33Å; W83-W136 HydrophobicContact CH2-CZ3 4.16Å; W83-W136 HydrophobicContact CZ2-CH2 4.01Å; W83-W136 HydrophobicContact CZ2-CZ3 4.06Å; W83-L172 HydrophobicContact CE3-CD2 4.44Å; W83-L172 HydrophobicContact CH2-CD1 3.61Å; W83-L172 HydrophobicContact CZ3-CD1 3.64Å; W83-L172 HydrophobicContact CZ3-CD2 3.82Å; W83-L172 HydrophobicContact CZ3-CG 4.4Å; W83-L235 HydrophobicContact CH2-CD2 4.27Å; W83-L235 HydrophobicContact CZ2-CD2 4.26Å; W83-L235 PolarHBondContact NE1-O 3.23Å; W83-Q236 VanDerWaalsContact CD1-OE1 3.27Å
84	L	95.9	Very high	94.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-86.4	-25.6	178.9	-173.5	55.6	0	0	0	111.5	V80 P81 Q82 V89 M129 L132 R133 W136	V80-L84 HydrophobicContact CG1-CB 3.89Å; V80-L84 HydrophobicContact CG1-CD2 4.04Å; V80-L84 HydrophobicContact CG1-CG 4.01Å; P81-L84 HydrophobicContact CG-CB 3.9Å; P81-L84 PolarHBondContact O-N 3.26Å; Q82-L84 PolarHBondContact O-N 3.43Å; L84-V89 HydrophobicContact CD1-CG1 4.33Å; L84-M129 HydrophobicContact CD1-CE 4.13Å; L84-L132 HydrophobicContact CD1-CD2 4.45Å; L84-L132 HydrophobicContact CD2-CG 4.35Å; L84-R133 HydrophobicContact CD1-CB 4.01Å; L84-R133 HydrophobicContact CG-CB 4.09Å; L84-R133 HydrophobicContact CG-CG 4.26Å; L84-R133 VanDerWaalsContact O-CZ 3.25Å; L84-R133 PolarHBondContact O-NE 2.94Å; L84-R133 PolarHBondContact O-NH2 3.14Å; L84-W136 HydrophobicContact CD2-CB 3.99Å; L84-W136 HydrophobicContact CD2-CD2 3.82Å; L84-W136 HydrophobicContact CD2-CE3 3.43Å; L84-W136 VanDerWaalsContact CD2-CE3 3.43Å; L84-W136 HydrophobicContact CD2-CG 4.1Å; L84-W136 HydrophobicContact CD2-CZ3 4.07Å
85	Q	93.7	Very high	94.6	Very high	113 Å²	113	62 Å²	62	53%	0.528	31%	0.31	S	S	.	.	H	α-helix	trans	-71.5	-32.8	173.4	-61.7	-177.5	35.2	0	0	112.1	V80 P81 Q82 D87	V80-Q85 HydrophobicContact CB-CG 4.07Å; V80-Q85 HydrophobicContact CG1-CG 3.72Å; V80-Q85 PolarHBondContact O-NE2 3.4Å; P81-Q85 PolarHBondContact O-N 3.49Å; Q82-Q85 PolarHBondContact O-N 3.21Å; Q82-Q85 VanDerWaalsContact O-N 3.15Å; Q85-D87 PolarHBondContact O-N 3.37Å
86	D	92.6	Very high	94.6	Very high	78 Å²	78	61.8 Å²	61.8	42%	0.417	31%	0.309	S	S	.	.	S	Bend	trans	-66.2	127.3	179.2	-172.6	-9	0	0	0	111.8	Q82 T88 V89 R133	Q82-D86 PolarHBondContact O-N 3.45Å; Q82-D86 VanDerWaalsContact O-N 3.12Å; D86-T88 PolarHBondContact O-N 3.4Å; D86-T88 VanDerWaalsContact OD1-CG2 3.29Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.35Å; D86-T88 PolarHBondContact OD1-N 2.93Å; D86-T88 PolarHBondContact OD1-OG1 3.49Å; D86-T88 PolarHBondContact OD2-OG1 3.35Å; D86-V89 WeakPolarHBondContact O-CG1 3.17Å; D86-V89 PolarHBondContact O-N 3.49Å; D86-R133 VanDerWaalsContact C-NH2 3.33Å; D86-R133 PolarHBondContact O-NH2 3.27Å
87	D	92.9	Very high	94.7	Very high	105 Å²	105	60.8 Å²	60.8	56%	0.561	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-17.7	177	-74.8	-20.2	0	0	0	113.6	Q85 V89 L90 R133	Q85-D87 PolarHBondContact O-N 3.37Å; D87-V89 PolarHBondContact O-N 3.2Å; D87-L90 WeakPolarHBondContact O-CB 3.41Å; D87-L90 PolarHBondContact O-N 3.26Å; D87-R133 IonicContact OD1-CZ 2.76Å; D87-R133 IonicContact OD1-NH1 3.93Å; D87-R133 PolarHBondContact OD1-NH1 2.94Å; D87-R133 IonicContact OD1-NH2 3.14Å; D87-R133 PolarHBondContact OD1-NH2 3.39Å
88	T	92.8	Very high	94.6	Very high	77 Å²	77	64.4 Å²	64.4	47%	0.472	34%	0.335	S	S	.	.	H	α-helix	trans	-55.2	-35.3	171.9	60.3	0	0	0	0	111.7	D86 L90 T91 L92	D86-T88 PolarHBondContact O-N 3.4Å; D86-T88 VanDerWaalsContact OD1-CG2 3.29Å; D86-T88 WeakPolarHBondContact OD1-CG2 3.35Å; D86-T88 PolarHBondContact OD1-N 2.93Å; D86-T88 PolarHBondContact OD1-OG1 3.49Å; D86-T88 PolarHBondContact OD2-OG1 3.35Å; T88-L90 PolarHBondContact O-N 2.95Å; T88-T91 PolarHBondContact O-N 3.45Å; T88-T91 PolarHBondContact O-OG1 3.49Å; T88-L92 PolarHBondContact O-N 2.85Å
89	V	93.5	Very high	94.1	Very high	14 Å²	14	65 Å²	65	9%	0.085	34%	0.336	C	S	.	.	H	α-helix	trans	-63.5	-29.5	178.7	86.3	0	0	0	0	112.6	W83 L84 D86 D87 T91 L92 M129 L172	W83-V89 HydrophobicContact CE3-CG2 4.18Å; W83-V89 HydrophobicContact CZ3-CG2 4.33Å; L84-V89 HydrophobicContact CD1-CG1 4.33Å; D86-V89 WeakPolarHBondContact O-CG1 3.17Å; D86-V89 PolarHBondContact O-N 3.49Å; D87-V89 PolarHBondContact O-N 3.2Å; V89-T91 VanDerWaalsContact C-N 3.26Å; V89-T91 PolarHBondContact O-N 2.91Å; V89-L92 VanDerWaalsContact O-CB 3.24Å; V89-L92 WeakPolarHBondContact O-CB 3.42Å; V89-L92 PolarHBondContact O-N 3.45Å; V89-M129 HydrophobicContact CG1-CE 4.16Å; V89-M129 HydrophobicContact CG2-CE 3.65Å; V89-L172 HydrophobicContact CG2-CD2 3.8Å
90	L	96.2	Very high	93.4	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-75.3	-18.9	176.8	-58.1	-174.7	0	0	0	112.2	D87 T88 K126 M129 E130	D87-L90 WeakPolarHBondContact O-CB 3.41Å; D87-L90 PolarHBondContact O-N 3.26Å; T88-L90 PolarHBondContact O-N 2.95Å; L90-K126 HydrophobicContact CB-CG 4.43Å; L90-M129 HydrophobicContact CD2-CB 3.76Å; L90-E130 HydrophobicContact CD1-CG 4.04Å; L90-E130 HydrophobicContact CD2-CG 3.85Å
91	T	95.9	Very high	93.2	Very high	57 Å²	57	62 Å²	62	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-87.6	-8.3	175.8	71.9	0	0	0	0	113	T88 V89 P93 K94 Q95	T88-T91 PolarHBondContact O-N 3.45Å; T88-T91 PolarHBondContact O-OG1 3.49Å; V89-T91 VanDerWaalsContact C-N 3.26Å; V89-T91 PolarHBondContact O-N 2.91Å; T91-P93 VanDerWaalsContact C-CD 3.48Å; T91-K94 WeakPolarHBondContact O-CA 3.24Å; T91-K94 WeakPolarHBondContact O-CB 3.32Å; T91-K94 PolarHBondContact O-N 3.38Å; T91-Q95 WeakPolarHBondContact O-CG 3.13Å; T91-Q95 PolarHBondContact O-N 2.78Å; T91-Q95 PolarHBondContact OG1-NE2 3.39Å; T91-Q95 VanDerWaalsContact OG1-NE2 3.12Å
92	L	96.6	Very high	93	Very high	24 Å²	24	60.8 Å²	60.8	13%	0.126	32%	0.319	C	S	.	.	H	α-helix	trans	-52	-44.5	-178.8	-179.5	63.3	0	0	0	113.7	T88 V89 K94 Q95 L96 L171 L172	T88-L92 PolarHBondContact O-N 2.85Å; V89-L92 VanDerWaalsContact O-CB 3.24Å; V89-L92 WeakPolarHBondContact O-CB 3.42Å; V89-L92 PolarHBondContact O-N 3.45Å; L92-K94 VanDerWaalsContact C-N 3.33Å; L92-K94 PolarHBondContact O-N 3.48Å; L92-Q95 PolarHBondContact O-N 3.24Å; L92-L96 HydrophobicContact CD1-CD1 3.9Å; L92-L96 HydrophobicContact CD1-CD2 4.48Å; L92-L96 HydrophobicContact CD1-CG 3.92Å; L92-L96 HydrophobicContact CG-CD1 3.93Å; L92-L96 HydrophobicContact CG-CG 4.36Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 2.98Å; L92-L171 HydrophobicContact CD2-CD2 4.34Å; L92-L171 HydrophobicContact CD2-CG 4Å; L92-L171 HydrophobicContact CG-CG 4.4Å; L92-L172 HydrophobicContact CD2-CD2 4.24Å
93	P	96.6	Very high	93	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-56.7	-45.7	174.5	-21.9	30.9	0	0	0	112.4	T91 Q95 L96 E97 I103 T122 L125 K126 L171	T91-P93 VanDerWaalsContact C-CD 3.48Å; P93-Q95 VanDerWaalsContact C-N 3.34Å; P93-Q95 PolarHBondContact O-N 3.45Å; P93-L96 PolarHBondContact O-N 3.45Å; P93-E97 PolarHBondContact O-N 2.84Å; P93-I103 VanDerWaalsContact O-CG1 3.24Å; P93-I103 WeakPolarHBondContact O-CG1 3.47Å; P93-T122 HydrophobicContact CB-CG2 3.71Å; P93-L125 HydrophobicContact CB-CB 4.19Å; P93-L125 HydrophobicContact CG-CB 3.9Å; P93-K126 HydrophobicContact CG-CB 4.41Å; P93-L171 HydrophobicContact CG-CD2 3.69Å
94	K	95.6	Very high	92.6	Very high	106 Å²	106	54.5 Å²	54.5	46%	0.461	30%	0.299	S	S	.	.	H	α-helix	trans	-64.7	-39.9	-179.9	-71.6	-177.4	-179.1	-175.2	0	111.7	T91 L92 A98 T122 E123	T91-K94 WeakPolarHBondContact O-CA 3.24Å; T91-K94 WeakPolarHBondContact O-CB 3.32Å; T91-K94 PolarHBondContact O-N 3.38Å; L92-K94 VanDerWaalsContact C-N 3.33Å; L92-K94 PolarHBondContact O-N 3.48Å; K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.3Å; K94-A98 PolarHBondContact O-N 3.03Å; K94-T122 HydrophobicContact CB-CG2 4.29Å; K94-T122 HydrophobicContact CD-CG2 4.47Å; K94-T122 HydrophobicContact CG-CG2 3.38Å; K94-E123 WeakPolarHBondContact CE-OE1 3.32Å; K94-E123 IonicContact NZ-OE1 3.35Å; K94-E123 PolarHBondContact NZ-OE1 2.87Å
95	Q	95.2	Very high	92	Very high	86 Å²	86	58.8 Å²	58.8	40%	0.402	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-47.4	177.8	-68.3	174.1	-10.7	0	0	111.5	T91 L92 P93 E97 A98 Q99	T91-Q95 WeakPolarHBondContact O-CG 3.13Å; T91-Q95 PolarHBondContact O-N 2.78Å; T91-Q95 PolarHBondContact OG1-NE2 3.39Å; T91-Q95 VanDerWaalsContact OG1-NE2 3.12Å; L92-Q95 PolarHBondContact O-N 3.24Å; P93-Q95 VanDerWaalsContact C-N 3.34Å; P93-Q95 PolarHBondContact O-N 3.45Å; Q95-E97 VanDerWaalsContact C-N 3.31Å; Q95-E97 PolarHBondContact O-N 2.74Å; Q95-A98 PolarHBondContact O-N 2.94Å; Q95-Q99 WeakPolarHBondContact O-CB 3.29Å; Q95-Q99 VanDerWaalsContact O-CG 3.32Å; Q95-Q99 WeakPolarHBondContact O-CG 3.23Å; Q95-Q99 PolarHBondContact O-N 2.99Å
96	L	95.6	Very high	91.8	Very high	4 Å²	4	54.2 Å²	54.2	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-66.3	-33.2	179.2	-69.3	174.1	0	0	0	112.7	L92 P93 E100 G101 L102 I103 L171 L174 A178	L92-L96 HydrophobicContact CD1-CD1 3.9Å; L92-L96 HydrophobicContact CD1-CD2 4.48Å; L92-L96 HydrophobicContact CD1-CG 3.92Å; L92-L96 HydrophobicContact CG-CD1 3.93Å; L92-L96 HydrophobicContact CG-CG 4.36Å; L92-L96 WeakPolarHBondContact O-CG 3.45Å; L92-L96 PolarHBondContact O-N 2.98Å; P93-L96 PolarHBondContact O-N 3.45Å; L96-E100 PolarHBondContact O-N 2.98Å; L96-E100 VanDerWaalsContact O-N 3.17Å; L96-G101 PolarHBondContact O-N 3.42Å; L96-L102 HydrophobicContact CD2-CD1 4.13Å; L96-L102 PolarHBondContact O-N 2.87Å; L96-I103 HydrophobicContact CB-CD1 3.94Å; L96-I103 HydrophobicContact CB-CG1 3.94Å; L96-I103 HydrophobicContact CD1-CD1 4.18Å; L96-L171 HydrophobicContact CD1-CD1 3.79Å; L96-L174 HydrophobicContact CD1-CD2 4.19Å; L96-L174 HydrophobicContact CD1-CG 4.23Å; L96-A178 HydrophobicContact CD2-CB 3.79Å
97	E	95.3	Very high	91.5	Very high	59 Å²	59	55.4 Å²	55.4	28%	0.276	30%	0.296	S	S	.	.	H	α-helix	trans	-69.6	-46.5	172.5	-170.7	58.3	-166.6	0	0	111.7	P93 Q95 Q99 G101 L102 I103 S104	P93-E97 PolarHBondContact O-N 2.84Å; Q95-E97 VanDerWaalsContact C-N 3.31Å; Q95-E97 PolarHBondContact O-N 2.74Å; E97-Q99 PolarHBondContact O-N 3.07Å; E97-G101 VanDerWaalsContact O-CA 3.22Å; E97-G101 WeakPolarHBondContact O-CA 3.46Å; E97-G101 PolarHBondContact O-N 3.31Å; E97-L102 PolarHBondContact OE2-N 3.28Å; E97-I103 HydrophobicContact CB-CB 4.06Å; E97-I103 HydrophobicContact CB-CG1 4.15Å; E97-I103 VanDerWaalsContact OE2-CA 3.29Å; E97-I103 WeakPolarHBondContact OE2-CA 3.42Å; E97-I103 VanDerWaalsContact OE2-CB 3.3Å; E97-I103 WeakPolarHBondContact OE2-CB 3.46Å; E97-I103 PolarHBondContact OE2-N 3.26Å; E97-S104 VanDerWaalsContact OE1-CB 3.23Å; E97-S104 WeakPolarHBondContact OE1-CB 3.23Å; E97-S104 PolarHBondContact OE1-OG 2.78Å; E97-S104 PolarHBondContact OE2-N 3.45Å; E97-S104 PolarHBondContact OE2-OG 3.1Å
98	A	91.3	Very high	91.2	Very high	89 Å²	89	50.5 Å²	50.5	74%	0.736	27%	0.27	S	S	*	.	H	α-helix	trans	-67.5	-36.9	-176.9	0	0	0	0	0	113.3	K94 Q95	K94-A98 VanDerWaalsContact O-CB 3.28Å; K94-A98 WeakPolarHBondContact O-CB 3.3Å; K94-A98 PolarHBondContact O-N 3.03Å; Q95-A98 PolarHBondContact O-N 2.94Å
99	Q	81.8	Confident	90.4	Very high	143 Å²	143	48.4 Å²	48.4	67%	0.668	26%	0.257	S	S	*	.	H	α-helix	trans	-83.6	-41.2	-176.7	-68.5	175.7	-5	0	0	112.3	Q95 E97	Q95-Q99 WeakPolarHBondContact O-CB 3.29Å; Q95-Q99 VanDerWaalsContact O-CG 3.32Å; Q95-Q99 WeakPolarHBondContact O-CG 3.23Å; Q95-Q99 PolarHBondContact O-N 2.99Å; E97-Q99 PolarHBondContact O-N 3.07Å
100	E	80.9	Confident	89.4	Confident	73 Å²	73	50.9 Å²	50.9	34%	0.341	29%	0.285	S	S	.	.	H	α-helix	trans	-133.1	-1.7	-164.3	-67.9	-76.2	-175.1	0	0	112.8	L96 L102 R207	L96-E100 PolarHBondContact O-N 2.98Å; L96-E100 VanDerWaalsContact O-N 3.17Å; E100-L102 HydrophobicContact CB-CD1 3.51Å; E100-L102 HydrophobicContact CB-CD2 4.15Å; E100-L102 HydrophobicContact CB-CG 3.43Å; E100-L102 VanDerWaalsContact CB-CG 3.43Å; E100-L102 HydrophobicContact CG-CD1 4.18Å; E100-L102 PolarHBondContact O-N 2.78Å; E100-R207 VanDerWaalsContact O-CZ 3.25Å; E100-R207 PolarHBondContact O-NH1 2.91Å; E100-R207 PolarHBondContact O-NH2 3.25Å
101	G	89.7	Confident	88.2	Confident	19 Å²	19	51 Å²	51	20%	0.196	29%	0.286	C	S	.	.			trans	53.1	38.9	-178.8	0	0	0	0	0	112.8	L96 E97 S104	L96-G101 PolarHBondContact O-N 3.42Å; E97-G101 VanDerWaalsContact O-CA 3.22Å; E97-G101 WeakPolarHBondContact O-CA 3.46Å; E97-G101 PolarHBondContact O-N 3.31Å; G101-S104 PolarHBondContact O-OG 2.85Å
102	L	91	Very high	86.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.305	C	S	.	.			trans	-86.8	-29.6	-172.6	-65.4	171.2	0	0	0	112.6	L96 E97 E100 Q105 L174 P206 R207 L210	L96-L102 HydrophobicContact CD2-CD1 4.13Å; L96-L102 PolarHBondContact O-N 2.87Å; E97-L102 PolarHBondContact OE2-N 3.28Å; E100-L102 HydrophobicContact CB-CD1 3.51Å; E100-L102 HydrophobicContact CB-CD2 4.15Å; E100-L102 HydrophobicContact CB-CG 3.43Å; E100-L102 VanDerWaalsContact CB-CG 3.43Å; E100-L102 HydrophobicContact CG-CD1 4.18Å; E100-L102 PolarHBondContact O-N 2.78Å; L102-Q105 PolarHBondContact O-N 3.47Å; L102-L174 HydrophobicContact CB-CD2 4.12Å; L102-L174 HydrophobicContact CD1-CD1 4.27Å; L102-L174 HydrophobicContact CD1-CD2 4.22Å; L102-L174 HydrophobicContact CD1-CG 4.3Å; L102-P206 HydrophobicContact CD1-CB 4.3Å; L102-R207 VanDerWaalsContact CD2-CA 3.5Å; L102-R207 HydrophobicContact CD2-CB 3.79Å; L102-R207 HydrophobicContact CD2-CG 4.15Å; L102-L210 HydrophobicContact CB-CD2 4.06Å; L102-L210 HydrophobicContact CD2-CD2 4.35Å; L102-L210 WeakPolarHBondContact O-CD2 3.43Å
103	I	94.1	Very high	84.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-80.2	-32.9	-170.3	-58.7	-49.6	0	0	0	111.5	P93 L96 E97 Q105 W106 P121 L125 L171	P93-I103 VanDerWaalsContact O-CG1 3.24Å; P93-I103 WeakPolarHBondContact O-CG1 3.47Å; L96-I103 HydrophobicContact CB-CD1 3.94Å; L96-I103 HydrophobicContact CB-CG1 3.94Å; L96-I103 HydrophobicContact CD1-CD1 4.18Å; E97-I103 HydrophobicContact CB-CB 4.06Å; E97-I103 HydrophobicContact CB-CG1 4.15Å; E97-I103 VanDerWaalsContact OE2-CA 3.29Å; E97-I103 WeakPolarHBondContact OE2-CA 3.42Å; E97-I103 VanDerWaalsContact OE2-CB 3.3Å; E97-I103 WeakPolarHBondContact OE2-CB 3.46Å; E97-I103 PolarHBondContact OE2-N 3.26Å; I103-Q105 PolarHBondContact O-N 2.84Å; I103-Q105 VanDerWaalsContact O-N 3.1Å; I103-W106 HydrophobicContact CD1-CE3 4.23Å; I103-W106 WeakPolarHBondContact O-CB 3.29Å; I103-W106 PolarHBondContact O-N 2.8Å; I103-P121 HydrophobicContact CG2-CB 3.85Å; I103-L125 HydrophobicContact CD1-CD1 3.98Å; I103-L125 HydrophobicContact CG2-CD1 3.66Å; I103-L171 HydrophobicContact CD1-CD1 3.82Å
104	S	87.8	Confident	82.2	Confident	76 Å²	76	65.6 Å²	65.6	53%	0.531	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-60.6	-19	173.2	47.7	0	0	0	0	113.8	E97 G101	E97-S104 VanDerWaalsContact OE1-CB 3.23Å; E97-S104 WeakPolarHBondContact OE1-CB 3.23Å; E97-S104 PolarHBondContact OE1-OG 2.78Å; E97-S104 PolarHBondContact OE2-N 3.45Å; E97-S104 PolarHBondContact OE2-OG 3.1Å; G101-S104 PolarHBondContact O-OG 2.85Å
105	Q	82.2	Confident	80.3	Confident	90 Å²	90	64 Å²	64	42%	0.421	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-95.3	1.4	176.6	-52	-169.5	12.1	0	0	113.4	L102 I103 R107 R207	L102-Q105 PolarHBondContact O-N 3.47Å; I103-Q105 PolarHBondContact O-N 2.84Å; I103-Q105 VanDerWaalsContact O-N 3.1Å; Q105-R107 PolarHBondContact O-N 3.44Å; Q105-R207 VanDerWaalsContact NE2-NH1 3.11Å
106	W	90.4	Very high	78.3	Confident	17 Å²	17	64.1 Å²	64.1	6%	0.064	38%	0.383	C	S	.	.			trans	-63.2	135.9	-177.5	-159.9	-83.5	0	0	0	111.2	I103 F108 L125 E167 K170 L171 L174 L210 L214	I103-W106 HydrophobicContact CD1-CE3 4.23Å; I103-W106 WeakPolarHBondContact O-CB 3.29Å; I103-W106 PolarHBondContact O-N 2.8Å; W106-F108 AromaticContact CD1-CD1 3.7Å; W106-F108 AromaticContact CD1-CD2 3.92Å; W106-F108 AromaticContact CD1-CE1 3.53Å; W106-F108 AromaticContact CD1-CE2 3.76Å; W106-F108 AromaticContact CD1-CG 3.91Å; W106-F108 AromaticContact CD1-CZ 3.57Å; W106-F108 HydrophobicContact CG-CE2 4.43Å; W106-F108 HydrophobicContact CG-CZ 4.25Å; W106-F108 AromaticContact NE1-CD1 3.8Å; W106-F108 AromaticContact NE1-CE1 3.69Å; W106-L125 HydrophobicContact CD2-CD1 3.88Å; W106-L125 HydrophobicContact CD2-CD2 4.23Å; W106-L125 HydrophobicContact CE3-CD1 4.01Å; W106-L125 HydrophobicContact CG-CD1 4.11Å; W106-L125 HydrophobicContact CH2-CD2 4.47Å; W106-L125 HydrophobicContact CZ2-CD2 3.93Å; W106-E167 WeakPolarHBondContact CZ2-OE2 3.44Å; W106-E167 PolarHBondContact NE1-OE2 2.81Å; W106-K170 HydrophobicContact CH2-CB 3.86Å; W106-K170 HydrophobicContact CZ2-CB 3.9Å; W106-L171 HydrophobicContact CH2-CB 4.11Å; W106-L171 HydrophobicContact CZ3-CD1 4.26Å; W106-L174 HydrophobicContact CE3-CD2 4.4Å; W106-L174 HydrophobicContact CZ3-CD2 3.78Å; W106-L210 HydrophobicContact CE3-CD1 4.16Å; W106-L210 HydrophobicContact CZ3-CD1 4.16Å; W106-L214 HydrophobicContact CH2-CD2 4.47Å
107	R	85.6	Confident	76.3	Confident	103 Å²	103	67.4 Å²	67.4	39%	0.389	42%	0.417	S	S	.	.			trans	-116.9	109	177.1	-172	178	-173.5	168.4	4.4	109.6	Q105 Q111	Q105-R107 PolarHBondContact O-N 3.44Å; R107-Q111 PolarHBondContact NE-O 3.43Å; R107-Q111 PolarHBondContact NH2-O 2.99Å
108	F	86.1	Confident	74.6	Confident	2 Å²	2	66.7 Å²	66.7	1%	0.009	42%	0.419	C	S	.	.			trans	-78.2	154.2	178.6	-62.8	-83.1	0	0	0	111.7	W106 Q111 P121 R124 L125 Y128	W106-F108 AromaticContact CD1-CD1 3.7Å; W106-F108 AromaticContact CD1-CD2 3.92Å; W106-F108 AromaticContact CD1-CE1 3.53Å; W106-F108 AromaticContact CD1-CE2 3.76Å; W106-F108 AromaticContact CD1-CG 3.91Å; W106-F108 AromaticContact CD1-CZ 3.57Å; W106-F108 HydrophobicContact CG-CE2 4.43Å; W106-F108 HydrophobicContact CG-CZ 4.25Å; W106-F108 AromaticContact NE1-CD1 3.8Å; W106-F108 AromaticContact NE1-CE1 3.69Å; F108-Q111 HydrophobicContact CB-CG 4.24Å; F108-Q111 PolarHBondContact O-N 3.48Å; F108-P121 HydrophobicContact CE2-CB 3.96Å; F108-P121 HydrophobicContact CE2-CG 4.47Å; F108-P121 HydrophobicContact CZ-CB 4.26Å; F108-R124 HydrophobicContact CE1-CG 4Å; F108-R124 HydrophobicContact CZ-CB 4.07Å; F108-R124 HydrophobicContact CZ-CG 3.96Å; F108-L125 HydrophobicContact CE1-CD2 3.88Å; F108-L125 HydrophobicContact CE1-CG 4.01Å; F108-L125 HydrophobicContact CZ-CD1 4.42Å; F108-L125 HydrophobicContact CZ-CD2 4.26Å; F108-L125 HydrophobicContact CZ-CG 3.88Å; F108-Y128 AromaticContact CD1-CE2 3.89Å; F108-Y128 HydrophobicContact CD1-CE2 3.89Å; F108-Y128 HydrophobicContact CE1-CD2 4.22Å; F108-Y128 AromaticContact CE1-CE2 3.78Å; F108-Y128 HydrophobicContact CE1-CE2 3.78Å
109	P	77.7	Confident	73.8	Confident	32 Å²	32	65 Å²	65	21%	0.208	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	139.1	171.2	-26.2	37.7	0	0	0	111.7	Y63 Q111 E167	Y63-P109 WeakPolarHBondContact OH-CG 3.4Å; P109-Q111 PolarHBondContact O-N 2.92Å; P109-E167 HydrophobicContact CG-CG 4.27Å
110	G	71.5	Confident	74.1	Confident	66 Å²	66	62.1 Å²	62.1	68%	0.68	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-6.7	179.8	0	0	0	0	0	115.4	H112	G110-H112 PolarHBondContact O-CD2 3.16Å; G110-H112 VanDerWaalsContact O-CD2 3.32Å; G110-H112 PolarHBondContact O-N 3.17Å
111	Q	70.3	Confident	74.6	Confident	26 Å²	26	60.4 Å²	60.4	12%	0.121	40%	0.395	C	S	.	.			trans	-82.2	116.1	174.5	-75	179.8	-18.6	0	0	112	R107 F108 P109 S118 R124	R107-Q111 PolarHBondContact NE-O 3.43Å; R107-Q111 PolarHBondContact NH2-O 2.99Å; F108-Q111 HydrophobicContact CB-CG 4.24Å; F108-Q111 PolarHBondContact O-N 3.48Å; P109-Q111 PolarHBondContact O-N 2.92Å; Q111-S118 PolarHBondContact NE2-OG 3.32Å; Q111-R124 VanDerWaalsContact NE2-NH1 3.18Å
112	H	55.7	Low	74.9	Confident	164 Å²	164	60.1 Å²	60.1	76%	0.759	39%	0.389	S	S	*	.			trans	-93.6	-24.2	176.5	-67.9	-77.4	0	0	0	112.9	G110	G110-H112 PolarHBondContact O-CD2 3.16Å; G110-H112 VanDerWaalsContact O-CD2 3.32Å; G110-H112 PolarHBondContact O-N 3.17Å
113	V	56.1	Low	75	Confident	94 Å²	94	64 Å²	64	57%	0.57	41%	0.407	S	S	*	.	S	Bend	trans	-139	135.3	-176.9	-169.1	0	0	0	0	110.8	G115	V113-G115 PolarHBondContact O-N 2.91Å
114	P	52.8	Low	75	Confident	128 Å²	128	67.2 Å²	67.2	83%	0.831	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	130.5	170	-18.1	30.7	0	0	0	111.1
115	G	54.5	Low	75.4	Confident	72 Å²	72	63.6 Å²	63.6	74%	0.742	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	22.5	175.6	0	0	0	0	0	115.7	V113 G117	V113-G115 PolarHBondContact O-N 2.91Å; G115-G117 PolarHBondContact O-N 3.28Å
116	D	55.2	Low	76.1	Confident	90 Å²	90	62.3 Å²	62.3	48%	0.481	39%	0.387	S	S	.	.	S	Bend	trans	-66.5	13.8	175.8	70.7	-7.4	0	0	0	115.4	S118	D116-S118 VanDerWaalsContact OD1-CB 3.22Å; D116-S118 WeakPolarHBondContact OD1-CB 3.42Å; D116-S118 PolarHBondContact OD1-N 3.35Å; D116-S118 VanDerWaalsContact OD1-N 3.08Å; D116-S118 PolarHBondContact OD1-OG 2.96Å
117	G	51.8	Low	76.4	Confident	72 Å²	72	63 Å²	63	74%	0.742	40%	0.399	S	S	*	.	S	Bend	trans	87.6	1.6	-176.3	0	0	0	0	0	114.4	G115 G119	G115-G117 PolarHBondContact O-N 3.28Å; G117-G119 PolarHBondContact O-N 3.01Å
118	S	60.9	Low	77	Confident	45 Å²	45	59.3 Å²	59.3	32%	0.315	39%	0.386	S	S	.	.			trans	-62.5	125.2	163.1	50.1	0	0	0	0	109.8	Q111 D116	Q111-S118 PolarHBondContact NE2-OG 3.32Å; D116-S118 VanDerWaalsContact OD1-CB 3.22Å; D116-S118 WeakPolarHBondContact OD1-CB 3.42Å; D116-S118 PolarHBondContact OD1-N 3.35Å; D116-S118 VanDerWaalsContact OD1-N 3.08Å; D116-S118 PolarHBondContact OD1-OG 2.96Å
119	G	73.2	Confident	77.5	Confident	53 Å²	53	59.2 Å²	59.2	55%	0.546	39%	0.385	S	S	.	.			trans	-58	177.1	-175.8	0	0	0	0	0	114.3	G117 P121	G117-G119 PolarHBondContact O-N 3.01Å; G119-P121 VanDerWaalsContact O-N 3.13Å
120	D	88.9	Confident	78.5	Confident	83 Å²	83	60.5 Å²	60.5	44%	0.444	39%	0.389	S	S	.	.			trans	-42.7	118.4	179.7	176.1	9.8	0	0	0	111.6	T122 E123 R124	D120-T122 PolarHBondContact O-N 2.99Å; D120-T122 VanDerWaalsContact OD1-CB 3.23Å; D120-T122 WeakPolarHBondContact OD1-CB 3.48Å; D120-T122 PolarHBondContact OD1-N 3.3Å; D120-T122 PolarHBondContact OD1-OG1 3.4Å; D120-T122 WeakPolarHBondContact OD2-CB 3.37Å; D120-E123 HydrophobicContact CB-CB 4.29Å; D120-E123 HydrophobicContact CB-CG 4.25Å; D120-E123 PolarHBondContact O-N 3.34Å; D120-R124 PolarHBondContact O-N 3.28Å
121	P	91.9	Very high	79.8	Confident	37 Å²	37	59.1 Å²	59.1	24%	0.24	37%	0.365	C	S	.	.	H	α-helix	trans	-51.5	-33	178.8	-28.7	35.6	0	0	0	112.8	I103 F108 G119 L125	I103-P121 HydrophobicContact CG2-CB 3.85Å; F108-P121 HydrophobicContact CE2-CB 3.96Å; F108-P121 HydrophobicContact CE2-CG 4.47Å; F108-P121 HydrophobicContact CZ-CB 4.26Å; G119-P121 VanDerWaalsContact O-N 3.13Å; P121-L125 VanDerWaalsContact O-CB 3.3Å; P121-L125 WeakPolarHBondContact O-CB 3.35Å; P121-L125 WeakPolarHBondContact O-CD1 3.45Å; P121-L125 VanDerWaalsContact O-CG 3.27Å; P121-L125 WeakPolarHBondContact O-CG 3.49Å; P121-L125 PolarHBondContact O-N 3.26Å
122	T	94.6	Very high	81.1	Confident	13 Å²	13	57.9 Å²	57.9	8%	0.08	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-50.4	177.5	-46.4	0	0	0	0	111.7	P93 K94 D120 K126	P93-T122 HydrophobicContact CB-CG2 3.71Å; K94-T122 HydrophobicContact CB-CG2 4.29Å; K94-T122 HydrophobicContact CD-CG2 4.47Å; K94-T122 HydrophobicContact CG-CG2 3.38Å; D120-T122 PolarHBondContact O-N 2.99Å; D120-T122 VanDerWaalsContact OD1-CB 3.23Å; D120-T122 WeakPolarHBondContact OD1-CB 3.48Å; D120-T122 PolarHBondContact OD1-N 3.3Å; D120-T122 PolarHBondContact OD1-OG1 3.4Å; D120-T122 WeakPolarHBondContact OD2-CB 3.37Å; T122-K126 WeakPolarHBondContact O-CB 3.39Å; T122-K126 PolarHBondContact O-N 2.95Å
123	E	94.1	Very high	83.2	Confident	81 Å²	81	52.3 Å²	52.3	38%	0.379	33%	0.332	S	S	.	.	H	α-helix	trans	-70.2	-35.4	179	-67	-60.6	143.6	0	0	111.5	K94 D120 K126 G127	K94-E123 WeakPolarHBondContact CE-OE1 3.32Å; K94-E123 IonicContact NZ-OE1 3.35Å; K94-E123 PolarHBondContact NZ-OE1 2.87Å; D120-E123 HydrophobicContact CB-CB 4.29Å; D120-E123 HydrophobicContact CB-CG 4.25Å; D120-E123 PolarHBondContact O-N 3.34Å; E123-K126 PolarHBondContact O-N 2.8Å; E123-G127 PolarHBondContact O-N 3.41Å
124	R	94.1	Very high	85.1	Confident	68 Å²	68	54.2 Å²	54.2	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-63.3	-47.2	174.6	-174.7	173.7	179.7	-178.8	3.5	112	F108 Q111 D120 K126 G127 Y128	F108-R124 HydrophobicContact CE1-CG 4Å; F108-R124 HydrophobicContact CZ-CB 4.07Å; F108-R124 HydrophobicContact CZ-CG 3.96Å; Q111-R124 VanDerWaalsContact NE2-NH1 3.18Å; D120-R124 PolarHBondContact O-N 3.28Å; R124-K126 VanDerWaalsContact C-N 3.33Å; R124-K126 PolarHBondContact O-N 3.07Å; R124-G127 WeakPolarHBondContact O-CA 3.36Å; R124-G127 PolarHBondContact O-N 3.34Å; R124-G127 VanDerWaalsContact O-N 3.14Å; R124-Y128 HydrophobicContact CG-CD2 4.43Å; R124-Y128 HydrophobicContact CG-CE2 3.89Å; R124-Y128 PolarHBondContact NE-OH 3.24Å; R124-Y128 PolarHBondContact NH2-OH 2.97Å; R124-Y128 PolarHBondContact O-N 3.21Å
125	L	96.3	Very high	87.3	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-37.6	177.3	-77.8	167.3	0	0	0	112.1	P93 I103 W106 F108 P121 G127 Y128 M129 L171	P93-L125 HydrophobicContact CB-CB 4.19Å; P93-L125 HydrophobicContact CG-CB 3.9Å; I103-L125 HydrophobicContact CD1-CD1 3.98Å; I103-L125 HydrophobicContact CG2-CD1 3.66Å; W106-L125 HydrophobicContact CD2-CD1 3.88Å; W106-L125 HydrophobicContact CD2-CD2 4.23Å; W106-L125 HydrophobicContact CE3-CD1 4.01Å; W106-L125 HydrophobicContact CG-CD1 4.11Å; W106-L125 HydrophobicContact CH2-CD2 4.47Å; W106-L125 HydrophobicContact CZ2-CD2 3.93Å; F108-L125 HydrophobicContact CE1-CD2 3.88Å; F108-L125 HydrophobicContact CE1-CG 4.01Å; F108-L125 HydrophobicContact CZ-CD1 4.42Å; F108-L125 HydrophobicContact CZ-CD2 4.26Å; F108-L125 HydrophobicContact CZ-CG 3.88Å; P121-L125 VanDerWaalsContact O-CB 3.3Å; P121-L125 WeakPolarHBondContact O-CB 3.35Å; P121-L125 WeakPolarHBondContact O-CD1 3.45Å; P121-L125 VanDerWaalsContact O-CG 3.27Å; P121-L125 WeakPolarHBondContact O-CG 3.49Å; P121-L125 PolarHBondContact O-N 3.26Å; L125-G127 VanDerWaalsContact C-N 3.32Å; L125-G127 PolarHBondContact O-N 2.86Å; L125-Y128 HydrophobicContact CD2-CD2 4.49Å; L125-Y128 PolarHBondContact O-N 2.94Å; L125-M129 WeakPolarHBondContact O-CG 3.25Å; L125-M129 PolarHBondContact O-N 3.49Å; L125-L171 HydrophobicContact CB-CD2 4.21Å; L125-L171 HydrophobicContact CD1-CD1 4.24Å; L125-L171 HydrophobicContact CD2-CB 4.39Å
126	K	96.9	Very high	89.4	Confident	62 Å²	62	45.3 Å²	45.3	27%	0.27	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-45.5	170.2	179.7	-173.8	167.8	-159.9	0	111.1	L90 P93 T122 E123 R124 Y128 M129 E130	L90-K126 HydrophobicContact CB-CG 4.43Å; P93-K126 HydrophobicContact CG-CB 4.41Å; T122-K126 WeakPolarHBondContact O-CB 3.39Å; T122-K126 PolarHBondContact O-N 2.95Å; E123-K126 PolarHBondContact O-N 2.8Å; R124-K126 VanDerWaalsContact C-N 3.33Å; R124-K126 PolarHBondContact O-N 3.07Å; K126-Y128 VanDerWaalsContact C-N 3.3Å; K126-Y128 PolarHBondContact O-N 3.04Å; K126-M129 WeakPolarHBondContact O-CB 3.46Å; K126-M129 PolarHBondContact O-N 3.1Å; K126-M129 VanDerWaalsContact O-N 3.13Å; K126-E130 VanDerWaalsContact CE-OE1 3.29Å; K126-E130 WeakPolarHBondContact CE-OE1 2.84Å; K126-E130 IonicContact NZ-OE1 3.3Å; K126-E130 PolarHBondContact O-N 3.42Å
127	G	96.9	Very high	91.4	Very high	31 Å²	31	44.8 Å²	44.8	32%	0.32	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-39.6	174.8	0	0	0	0	0	113.1	E123 R124 L125 E130 L131	E123-G127 PolarHBondContact O-N 3.41Å; R124-G127 WeakPolarHBondContact O-CA 3.36Å; R124-G127 PolarHBondContact O-N 3.34Å; R124-G127 VanDerWaalsContact O-N 3.14Å; L125-G127 VanDerWaalsContact C-N 3.32Å; L125-G127 PolarHBondContact O-N 2.86Å; G127-E130 PolarHBondContact O-N 2.85Å; G127-L131 WeakPolarHBondContact O-CB 3.46Å; G127-L131 PolarHBondContact O-N 2.63Å
128	Y	97.4	Very high	93.6	Very high	26 Å²	26	42.5 Å²	42.5	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-68.5	-34.9	174.2	-68.3	-26.1	0	0	0	113.6	F108 R124 L125 K126 L131 L132 G164 E167	F108-Y128 AromaticContact CD1-CE2 3.89Å; F108-Y128 HydrophobicContact CD1-CE2 3.89Å; F108-Y128 HydrophobicContact CE1-CD2 4.22Å; F108-Y128 AromaticContact CE1-CE2 3.78Å; F108-Y128 HydrophobicContact CE1-CE2 3.78Å; R124-Y128 HydrophobicContact CG-CD2 4.43Å; R124-Y128 HydrophobicContact CG-CE2 3.89Å; R124-Y128 PolarHBondContact NE-OH 3.24Å; R124-Y128 PolarHBondContact NH2-OH 2.97Å; R124-Y128 PolarHBondContact O-N 3.21Å; L125-Y128 HydrophobicContact CD2-CD2 4.49Å; L125-Y128 PolarHBondContact O-N 2.94Å; K126-Y128 VanDerWaalsContact C-N 3.3Å; K126-Y128 PolarHBondContact O-N 3.04Å; Y128-L131 WeakPolarHBondContact O-CB 3.33Å; Y128-L131 PolarHBondContact O-N 3.14Å; Y128-L132 PolarHBondContact O-N 2.98Å; Y128-G164 WeakPolarHBondContact CB-O 3.45Å; Y128-G164 VanDerWaalsContact CE1-CA 3.47Å; Y128-E167 HydrophobicContact CD2-CB 3.88Å; Y128-E167 HydrophobicContact CE2-CB 4.19Å; Y128-E167 HydrophobicContact CE2-CG 4.47Å
129	M	98.1	Very high	95.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-40.9	171.2	-72.5	-57.3	-51.1	0	0	112.2	L84 V89 L90 L125 K126 L131 L132 R133 A168 L171 L172	L84-M129 HydrophobicContact CD1-CE 4.13Å; V89-M129 HydrophobicContact CG1-CE 4.16Å; V89-M129 HydrophobicContact CG2-CE 3.65Å; L90-M129 HydrophobicContact CD2-CB 3.76Å; L125-M129 WeakPolarHBondContact O-CG 3.25Å; L125-M129 PolarHBondContact O-N 3.49Å; K126-M129 WeakPolarHBondContact O-CB 3.46Å; K126-M129 PolarHBondContact O-N 3.1Å; K126-M129 VanDerWaalsContact O-N 3.13Å; M129-L131 VanDerWaalsContact C-N 3.34Å; M129-L132 HydrophobicContact CE-CD2 4.36Å; M129-L132 PolarHBondContact O-N 3.22Å; M129-R133 PolarHBondContact O-N 2.72Å; M129-A168 HydrophobicContact SD-CB 3.76Å; M129-L171 HydrophobicContact CG-CD2 3.61Å; M129-L171 HydrophobicContact SD-CD2 3.91Å; M129-L172 HydrophobicContact CE-CD1 4.2Å; M129-L172 HydrophobicContact CE-CD2 3.79Å; M129-L172 HydrophobicContact CE-CG 4.03Å; M129-L172 HydrophobicContact SD-CD1 4.48Å; M129-L172 HydrophobicContact SD-CD2 4.29Å; M129-L172 HydrophobicContact SD-CG 4.04Å
130	E	98.1	Very high	96.4	Very high	60 Å²	60	38.5 Å²	38.5	28%	0.28	19%	0.194	S	C	.	.	H	α-helix	trans	-64	-40.3	173.9	-70.4	179.1	-170.1	0	0	111.9	L90 K126 G127 R133 K134	L90-E130 HydrophobicContact CD1-CG 4.04Å; L90-E130 HydrophobicContact CD2-CG 3.85Å; K126-E130 VanDerWaalsContact CE-OE1 3.29Å; K126-E130 WeakPolarHBondContact CE-OE1 2.84Å; K126-E130 IonicContact NZ-OE1 3.3Å; K126-E130 PolarHBondContact O-N 3.42Å; G127-E130 PolarHBondContact O-N 2.85Å; E130-R133 PolarHBondContact O-N 3.27Å; E130-K134 WeakPolarHBondContact O-CB 3.45Å; E130-K134 VanDerWaalsContact O-CG 3.28Å; E130-K134 WeakPolarHBondContact O-CG 3.38Å; E130-K134 PolarHBondContact O-N 2.91Å; E130-K134 IonicContact OE2-NZ 3.78Å
131	L	98.1	Very high	96.8	Very high	36 Å²	36	40.7 Å²	40.7	19%	0.188	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-49.3	173.7	176.8	63.5	0	0	0	110.8	G127 Y128 M129 R133 K134 T135 E161 M165	G127-L131 WeakPolarHBondContact O-CB 3.46Å; G127-L131 PolarHBondContact O-N 2.63Å; Y128-L131 WeakPolarHBondContact O-CB 3.33Å; Y128-L131 PolarHBondContact O-N 3.14Å; M129-L131 VanDerWaalsContact C-N 3.34Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-R133 PolarHBondContact O-N 3.13Å; L131-K134 PolarHBondContact O-N 2.94Å; L131-T135 VanDerWaalsContact O-CB 3.32Å; L131-T135 WeakPolarHBondContact O-CB 3.19Å; L131-T135 PolarHBondContact O-N 3.45Å; L131-T135 PolarHBondContact O-OG1 3.47Å; L131-E161 HydrophobicContact CD2-CB 4.2Å; L131-E161 WeakPolarHBondContact CD2-O 3.33Å; L131-M165 HydrophobicContact CD2-CG 4.05Å; L131-M165 HydrophobicContact CG-CG 3.99Å
132	L	98.4	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-56.1	-48.4	177.2	179.1	64.9	0	0	0	111.3	L70 L84 Y128 M129 T135 W136 M165 A168 L169 L172	L70-L132 HydrophobicContact CD1-CD1 3.93Å; L70-L132 HydrophobicContact CD2-CD1 4.39Å; L84-L132 HydrophobicContact CD1-CD2 4.45Å; L84-L132 HydrophobicContact CD2-CG 4.35Å; Y128-L132 PolarHBondContact O-N 2.98Å; M129-L132 HydrophobicContact CE-CD2 4.36Å; M129-L132 PolarHBondContact O-N 3.22Å; L132-T135 PolarHBondContact O-N 2.95Å; L132-W136 HydrophobicContact CD1-CE3 4.09Å; L132-W136 HydrophobicContact CG-CE3 4.36Å; L132-W136 VanDerWaalsContact O-CB 3.32Å; L132-W136 WeakPolarHBondContact O-CB 3.26Å; L132-W136 PolarHBondContact O-N 2.99Å; L132-M165 HydrophobicContact CD1-CB 4.39Å; L132-M165 HydrophobicContact CD1-CG 4.43Å; L132-A168 HydrophobicContact CB-CB 4.09Å; L132-A168 HydrophobicContact CD2-CB 4.04Å; L132-L169 HydrophobicContact CD1-CD1 3.9Å; L132-L169 HydrophobicContact CD2-CD1 3.87Å; L132-L172 HydrophobicContact CD2-CD1 3.81Å
133	R	98.2	Very high	96.8	Very high	47 Å²	47	47 Å²	47	18%	0.177	23%	0.231	C	C	.	.	H	α-helix	trans	-57.8	-51.3	177.4	-178.3	-171.5	-69	-174.8	-8.7	112	L84 D86 D87 M129 E130 L131 T135 W136 Q137	L84-R133 HydrophobicContact CD1-CB 4.01Å; L84-R133 HydrophobicContact CG-CB 4.09Å; L84-R133 HydrophobicContact CG-CG 4.26Å; L84-R133 VanDerWaalsContact O-CZ 3.25Å; L84-R133 PolarHBondContact O-NE 2.94Å; L84-R133 PolarHBondContact O-NH2 3.14Å; D86-R133 VanDerWaalsContact C-NH2 3.33Å; D86-R133 PolarHBondContact O-NH2 3.27Å; D87-R133 IonicContact OD1-CZ 2.76Å; D87-R133 IonicContact OD1-NH1 3.93Å; D87-R133 PolarHBondContact OD1-NH1 2.94Å; D87-R133 IonicContact OD1-NH2 3.14Å; D87-R133 PolarHBondContact OD1-NH2 3.39Å; M129-R133 PolarHBondContact O-N 2.72Å; E130-R133 PolarHBondContact O-N 3.27Å; L131-R133 VanDerWaalsContact C-N 3.34Å; L131-R133 PolarHBondContact O-N 3.13Å; R133-T135 PolarHBondContact O-N 2.94Å; R133-W136 PolarHBondContact O-N 3.43Å; R133-Q137 WeakPolarHBondContact O-CB 3.28Å; R133-Q137 PolarHBondContact O-N 2.97Å
134	K	98	Very high	96.6	Very high	135 Å²	135	45.1 Å²	45.1	59%	0.587	23%	0.234	S	C	*	.	H	α-helix	trans	-62.4	-43.1	-178.9	-73.6	169.8	-176.1	166.2	0	111.6	E130 L131 Q137 A138	E130-K134 WeakPolarHBondContact O-CB 3.45Å; E130-K134 VanDerWaalsContact O-CG 3.28Å; E130-K134 WeakPolarHBondContact O-CG 3.38Å; E130-K134 PolarHBondContact O-N 2.91Å; E130-K134 IonicContact OE2-NZ 3.78Å; L131-K134 PolarHBondContact O-N 2.94Å; K134-Q137 PolarHBondContact O-N 2.88Å; K134-A138 WeakPolarHBondContact O-CB 3.35Å; K134-A138 PolarHBondContact O-N 3.36Å
135	T	98.1	Very high	96.4	Very high	12 Å²	12	45 Å²	45	7%	0.074	24%	0.243	C	C	.	.	H	α-helix	trans	-68.6	-38.5	-179.9	-60.6	0	0	0	0	111.9	L74 L131 L132 R133 A138 A139 F151 L155 M165	L74-T135 HydrophobicContact CD1-CG2 4.2Å; L131-T135 VanDerWaalsContact O-CB 3.32Å; L131-T135 WeakPolarHBondContact O-CB 3.19Å; L131-T135 PolarHBondContact O-N 3.45Å; L131-T135 PolarHBondContact O-OG1 3.47Å; L132-T135 PolarHBondContact O-N 2.95Å; R133-T135 PolarHBondContact O-N 2.94Å; T135-A138 PolarHBondContact O-N 3.4Å; T135-A139 WeakPolarHBondContact O-CB 3.41Å; T135-A139 PolarHBondContact O-N 3.43Å; T135-F151 HydrophobicContact CG2-CE1 4.06Å; T135-F151 HydrophobicContact CG2-CZ 4.07Å; T135-L155 HydrophobicContact CG2-CD1 4.06Å; T135-L155 HydrophobicContact CG2-CD2 3.36Å; T135-L155 HydrophobicContact CG2-CG 4.34Å; T135-M165 HydrophobicContact CG2-CE 4.4Å; T135-M165 HydrophobicContact CG2-SD 3.56Å; T135-M165 VanDerWaalsContact CG2-SD 3.56Å
136	W	98.1	Very high	96.1	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-64.4	-43.7	174.5	-153.9	-44.9	0	0	0	111.8	V73 L74 S77 V80 P81 W83 L84 L132 R133 A139 A140 L235 H237	V73-W136 HydrophobicContact CG1-CD2 4.4Å; V73-W136 HydrophobicContact CG1-CE3 4.43Å; V73-W136 HydrophobicContact CG1-CH2 3.14Å; V73-W136 HydrophobicContact CG1-CZ2 3.02Å; V73-W136 HydrophobicContact CG1-CZ3 3.86Å; L74-W136 HydrophobicContact CD2-CB 3.83Å; L74-W136 HydrophobicContact CD2-CD2 3.8Å; L74-W136 HydrophobicContact CD2-CE3 4.2Å; L74-W136 HydrophobicContact CD2-CG 3.62Å; S77-W136 VanDerWaalsContact CB-NE1 3.3Å; S77-W136 PolarHBondContact OG-NE1 2.92Å; V80-W136 HydrophobicContact CG2-CB 4.33Å; V80-W136 HydrophobicContact CG2-CG 4.48Å; P81-W136 HydrophobicContact CG-CH2 4.19Å; P81-W136 HydrophobicContact CG-CZ2 3.94Å; W83-W136 HydrophobicContact CH2-CZ3 4.16Å; W83-W136 HydrophobicContact CZ2-CH2 4.01Å; W83-W136 HydrophobicContact CZ2-CZ3 4.06Å; L84-W136 HydrophobicContact CD2-CB 3.99Å; L84-W136 HydrophobicContact CD2-CD2 3.82Å; L84-W136 HydrophobicContact CD2-CE3 3.43Å; L84-W136 VanDerWaalsContact CD2-CE3 3.43Å; L84-W136 HydrophobicContact CD2-CG 4.1Å; L84-W136 HydrophobicContact CD2-CZ3 4.07Å; L132-W136 HydrophobicContact CD1-CE3 4.09Å; L132-W136 HydrophobicContact CG-CE3 4.36Å; L132-W136 VanDerWaalsContact O-CB 3.32Å; L132-W136 WeakPolarHBondContact O-CB 3.26Å; L132-W136 PolarHBondContact O-N 2.99Å; R133-W136 PolarHBondContact O-N 3.43Å; W136-A139 PolarHBondContact O-N 3.36Å; W136-A140 WeakPolarHBondContact O-CB 3.43Å; W136-A140 PolarHBondContact O-N 3.38Å; W136-L235 HydrophobicContact CH2-CD2 4.24Å; W136-L235 HydrophobicContact CZ3-CD2 4.1Å; W136-H237 AromaticContact CZ2-CE1 3.86Å
137	Q	97.6	Very high	95.9	Very high	78 Å²	78	48.9 Å²	48.9	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-58.9	-49.4	173.2	-175	64.2	38.3	0	0	111.1	V80 R133 K134 A139 A140 E141	V80-Q137 HydrophobicContact CG2-CB 3.77Å; V80-Q137 HydrophobicContact CG2-CG 4.44Å; R133-Q137 WeakPolarHBondContact O-CB 3.28Å; R133-Q137 PolarHBondContact O-N 2.97Å; K134-Q137 PolarHBondContact O-N 2.88Å; Q137-A139 PolarHBondContact O-N 3.3Å; Q137-A140 PolarHBondContact O-N 3.37Å; Q137-A140 VanDerWaalsContact O-N 3.14Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.46Å; Q137-E141 PolarHBondContact NE2-OE1 2.93Å; Q137-E141 WeakPolarHBondContact O-CG 3.38Å; Q137-E141 PolarHBondContact O-N 3.01Å
138	A	97.4	Very high	95.8	Very high	25 Å²	25	48.3 Å²	48.3	21%	0.207	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-25.5	-179.9	0	0	0	0	0	113.8	K134 T135 R142 F151	K134-A138 WeakPolarHBondContact O-CB 3.35Å; K134-A138 PolarHBondContact O-N 3.36Å; T135-A138 PolarHBondContact O-N 3.4Å; A138-R142 WeakPolarHBondContact O-CG 3.27Å; A138-R142 PolarHBondContact O-NE 3.5Å; A138-F151 HydrophobicContact CB-CE2 4.38Å; A138-F151 HydrophobicContact CB-CZ 4.06Å
139	A	97.1	Very high	95.6	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-76	-47.6	171.4	0	0	0	0	0	111.2	L74 T135 W136 Q137 E141 R142 R148 F151	L74-A139 HydrophobicContact CB-CB 4.26Å; L74-A139 HydrophobicContact CD2-CB 4.3Å; T135-A139 WeakPolarHBondContact O-CB 3.41Å; T135-A139 PolarHBondContact O-N 3.43Å; W136-A139 PolarHBondContact O-N 3.36Å; Q137-A139 PolarHBondContact O-N 3.3Å; A139-E141 PolarHBondContact O-N 3.13Å; A139-R142 WeakPolarHBondContact O-CB 3.24Å; A139-R142 WeakPolarHBondContact O-CG 3.34Å; A139-R142 PolarHBondContact O-N 2.94Å; A139-R142 VanDerWaalsContact O-N 3.08Å; A139-R148 WeakPolarHBondContact O-CD 3.3Å; A139-R148 VanDerWaalsContact O-CG 3.29Å; A139-R148 WeakPolarHBondContact O-CG 3.49Å; A139-F151 HydrophobicContact CB-CD1 3.9Å; A139-F151 HydrophobicContact CB-CE1 3.76Å
140	A	96.3	Very high	95.3	Very high	13 Å²	13	56 Å²	56	11%	0.107	29%	0.291	C	S	.	.	H	α-helix	trans	-60.1	-33.8	179.6	0	0	0	0	0	113	W136 Q137 R142	W136-A140 WeakPolarHBondContact O-CB 3.43Å; W136-A140 PolarHBondContact O-N 3.38Å; Q137-A140 PolarHBondContact O-N 3.37Å; Q137-A140 VanDerWaalsContact O-N 3.14Å; A140-R142 PolarHBondContact O-N 3.22Å
141	E	96.6	Very high	95.2	Very high	130 Å²	130	54.5 Å²	54.5	61%	0.607	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.8	177.8	-72.2	171.3	178.6	0	0	114.3	Q137 A139	Q137-E141 WeakPolarHBondContact CG-OE1 3.46Å; Q137-E141 PolarHBondContact NE2-OE1 2.93Å; Q137-E141 WeakPolarHBondContact O-CG 3.38Å; Q137-E141 PolarHBondContact O-N 3.01Å; A139-E141 PolarHBondContact O-N 3.13Å
142	R	96.1	Very high	95	Very high	94 Å²	94	52.8 Å²	52.8	36%	0.355	27%	0.274	S	S	.	.	S	Bend	trans	-77.3	133	-179.4	-56.8	-65.3	163.9	178.8	-5.6	111.5	A138 A139 A140 G144 E147 R148 F151	A138-R142 WeakPolarHBondContact O-CG 3.27Å; A138-R142 PolarHBondContact O-NE 3.5Å; A139-R142 WeakPolarHBondContact O-CB 3.24Å; A139-R142 WeakPolarHBondContact O-CG 3.34Å; A139-R142 PolarHBondContact O-N 2.94Å; A139-R142 VanDerWaalsContact O-N 3.08Å; A140-R142 PolarHBondContact O-N 3.22Å; R142-G144 PolarHBondContact O-N 3.41Å; R142-E147 HydrophobicContact CB-CB 4.15Å; R142-R148 HydrophobicContact CB-CG 3.68Å; R142-R148 HydrophobicContact CG-CG 4.39Å; R142-R148 PolarHBondContact O-NH1 2.9Å; R142-F151 HydrophobicContact CG-CB 4.36Å
143	P	91.4	Very high	94.8	Very high	87 Å²	87	55.8 Å²	55.8	57%	0.565	29%	0.288	S	S	*	.	S	Bend	trans	-71.6	121.3	177.8	28.9	-33.5	0	0	0	111	E147	P143-E147 VanDerWaalsContact CD-OE2 3.22Å; P143-E147 WeakPolarHBondContact CD-OE2 3.45Å; P143-E147 VanDerWaalsContact CG-OE2 3.24Å; P143-E147 WeakPolarHBondContact CG-OE2 3.22Å; P143-E147 WeakPolarHBondContact O-CB 3.47Å; P143-E147 WeakPolarHBondContact O-CG 3.15Å
144	G	89.7	Confident	94.5	Very high	43 Å²	43	61.1 Å²	61.1	44%	0.443	31%	0.308	S	S	.	.	H	α-helix	trans	73.6	162.9	173.3	0	0	0	0	0	115.4	R142 A146 R148	R142-G144 PolarHBondContact O-N 3.41Å; G144-A146 PolarHBondContact O-N 3.49Å; G144-R148 PolarHBondContact O-N 2.92Å; G144-R148 PolarHBondContact O-NH1 3.42Å
145	S	88.9	Confident	94.4	Very high	66 Å²	66	55.6 Å²	55.6	46%	0.462	29%	0.285	S	S	.	.	H	α-helix	trans	-66.3	-36.3	-175.5	-168.4	0	0	0	0	112.9	E147 R148 Q149	S145-E147 PolarHBondContact O-N 2.96Å; S145-R148 PolarHBondContact O-N 3.24Å; S145-Q149 WeakPolarHBondContact O-CB 3.5Å; S145-Q149 PolarHBondContact O-N 2.99Å
146	A	90	Very high	94.2	Very high	55 Å²	55	56.2 Å²	56.2	46%	0.455	29%	0.287	S	S	.	.	H	α-helix	trans	-66	-39.4	-177.3	0	0	0	0	0	112.5	G144 Q149 R150	G144-A146 PolarHBondContact O-N 3.49Å; A146-Q149 PolarHBondContact O-N 3.48Å; A146-R150 WeakPolarHBondContact O-CG 3.32Å; A146-R150 PolarHBondContact O-N 3.14Å
147	E	93.9	Very high	93.8	Very high	88 Å²	88	62.2 Å²	62.2	41%	0.411	32%	0.315	S	S	.	.	H	α-helix	trans	-72.5	-39.5	178.1	-65.7	-161.1	-175.6	0	0	112.4	R142 P143 S145 Q149 R150 F151	R142-E147 HydrophobicContact CB-CB 4.15Å; P143-E147 VanDerWaalsContact CD-OE2 3.22Å; P143-E147 WeakPolarHBondContact CD-OE2 3.45Å; P143-E147 VanDerWaalsContact CG-OE2 3.24Å; P143-E147 WeakPolarHBondContact CG-OE2 3.22Å; P143-E147 WeakPolarHBondContact O-CB 3.47Å; P143-E147 WeakPolarHBondContact O-CG 3.15Å; S145-E147 PolarHBondContact O-N 2.96Å; E147-Q149 VanDerWaalsContact C-N 3.28Å; E147-Q149 PolarHBondContact O-N 2.95Å; E147-R150 PolarHBondContact O-N 3.32Å; E147-F151 WeakPolarHBondContact O-CB 3.32Å; E147-F151 PolarHBondContact O-N 2.99Å
148	R	94.8	Very high	93.2	Very high	18 Å²	18	59.4 Å²	59.4	7%	0.068	31%	0.307	C	S	.	.	H	α-helix	trans	-58.5	-42.3	171.7	-75.2	-168.3	-62	-92.1	10.3	112	S75 S77 M78 A139 R142 G144 S145 F151 C152	S75-R148 VanDerWaalsContact O-CB 3.31Å; S75-R148 WeakPolarHBondContact O-CB 3.34Å; S75-R148 WeakPolarHBondContact O-CD 3.44Å; S75-R148 PolarHBondContact O-NE 3.46Å; S77-R148 VanDerWaalsContact O-CD 3.22Å; S77-R148 WeakPolarHBondContact O-CD 3.47Å; M78-R148 PolarHBondContact SD-NH1 2.87Å; M78-R148 PolarHBondContact SD-NH2 3.27Å; A139-R148 WeakPolarHBondContact O-CD 3.3Å; A139-R148 VanDerWaalsContact O-CG 3.29Å; A139-R148 WeakPolarHBondContact O-CG 3.49Å; R142-R148 HydrophobicContact CB-CG 3.68Å; R142-R148 HydrophobicContact CG-CG 4.39Å; R142-R148 PolarHBondContact O-NH1 2.9Å; G144-R148 PolarHBondContact O-N 2.92Å; G144-R148 PolarHBondContact O-NH1 3.42Å; S145-R148 PolarHBondContact O-N 3.24Å; R148-F151 WeakPolarHBondContact O-CB 3.35Å; R148-F151 PolarHBondContact O-N 3.05Å; R148-C152 PolarHBondContact O-N 3.31Å; R148-C152 PolarHBondContact O-SG 2.98Å
149	Q	92.2	Very high	92.8	Very high	41 Å²	41	64.5 Å²	64.5	19%	0.192	33%	0.327	C	S	.	.	H	α-helix	trans	-64.2	-45.2	177.6	-167.4	171.6	23.1	0	0	111.8	F71 S145 A146 E147 F151 C152 E153	F71-Q149 HydrophobicContact CZ-CG 4.32Å; S145-Q149 WeakPolarHBondContact O-CB 3.5Å; S145-Q149 PolarHBondContact O-N 2.99Å; A146-Q149 PolarHBondContact O-N 3.48Å; E147-Q149 VanDerWaalsContact C-N 3.28Å; E147-Q149 PolarHBondContact O-N 2.95Å; Q149-F151 VanDerWaalsContact C-N 3.32Å; Q149-F151 PolarHBondContact O-N 3.16Å; Q149-C152 PolarHBondContact O-N 2.8Å; Q149-E153 VanDerWaalsContact O-CG 3.28Å; Q149-E153 WeakPolarHBondContact O-CG 3.38Å; Q149-E153 PolarHBondContact O-N 2.92Å
150	R	92.4	Very high	92.5	Very high	148 Å²	148	71.2 Å²	71.2	56%	0.558	36%	0.358	S	S	*	.	H	α-helix	trans	-64	-35.3	174.4	-71.2	173.6	-173.8	169.8	3.2	112.8	A146 E147 R154	A146-R150 WeakPolarHBondContact O-CG 3.32Å; A146-R150 PolarHBondContact O-N 3.14Å; E147-R150 PolarHBondContact O-N 3.32Å; R150-R154 PolarHBondContact O-N 2.93Å; R150-R154 PolarHBondContact O-NH1 2.69Å
151	F	95.4	Very high	92.4	Very high	28 Å²	28	76.1 Å²	76.1	12%	0.123	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-51.9	173.8	172.5	-96.5	0	0	0	110.4	T135 A138 A139 R142 E147 R148 Q149 E153 R154 L155	T135-F151 HydrophobicContact CG2-CE1 4.06Å; T135-F151 HydrophobicContact CG2-CZ 4.07Å; A138-F151 HydrophobicContact CB-CE2 4.38Å; A138-F151 HydrophobicContact CB-CZ 4.06Å; A139-F151 HydrophobicContact CB-CD1 3.9Å; A139-F151 HydrophobicContact CB-CE1 3.76Å; R142-F151 HydrophobicContact CG-CB 4.36Å; E147-F151 WeakPolarHBondContact O-CB 3.32Å; E147-F151 PolarHBondContact O-N 2.99Å; R148-F151 WeakPolarHBondContact O-CB 3.35Å; R148-F151 PolarHBondContact O-N 3.05Å; Q149-F151 VanDerWaalsContact C-N 3.32Å; Q149-F151 PolarHBondContact O-N 3.16Å; F151-E153 VanDerWaalsContact C-N 3.3Å; F151-E153 PolarHBondContact O-N 3.37Å; F151-R154 PolarHBondContact O-N 3.33Å; F151-R154 VanDerWaalsContact O-N 3.16Å; F151-L155 HydrophobicContact CE1-CD2 4.02Å; F151-L155 PolarHBondContact O-N 3.25Å; F151-L155 VanDerWaalsContact O-N 3.1Å
152	C	95.3	Very high	92.4	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-61.5	-39	177.2	-63.2	0	0	0	0	111.5	F71 L74 R148 Q149 R154 L155 F156	F71-C152 HydrophobicContact CD2-CB 3.84Å; F71-C152 HydrophobicContact CE1-CB 4.36Å; F71-C152 HydrophobicContact CE2-CB 3.29Å; F71-C152 HydrophobicContact CZ-CB 3.49Å; F71-C152 VanDerWaalsContact CZ-CB 3.49Å; L74-C152 VanDerWaalsContact CB-SG 3.59Å; R148-C152 PolarHBondContact O-N 3.31Å; R148-C152 PolarHBondContact O-SG 2.98Å; Q149-C152 PolarHBondContact O-N 2.8Å; C152-R154 VanDerWaalsContact C-N 3.28Å; C152-R154 PolarHBondContact O-N 2.8Å; C152-L155 PolarHBondContact O-N 2.8Å; C152-L155 VanDerWaalsContact O-N 3.14Å; C152-F156 HydrophobicContact CB-CD2 4.09Å; C152-F156 HydrophobicContact CB-CE2 4.26Å; C152-F156 VanDerWaalsContact O-CD2 3.22Å; C152-F156 WeakPolarHBondContact O-CD2 3.34Å; C152-F156 PolarHBondContact O-N 2.7Å
153	E	92.3	Very high	92.3	Very high	62 Å²	62	68 Å²	68	29%	0.29	35%	0.346	S	S	.	.	H	α-helix	trans	-57.2	-39.7	175.7	-76.9	163.3	-159.5	0	0	113.1	R56 Q149 F151 Q157	R56-E153 IonicContact CZ-OE1 3.12Å; R56-E153 VanDerWaalsContact NH1-CG 3.32Å; R56-E153 IonicContact NH1-OE1 2.96Å; R56-E153 PolarHBondContact NH1-OE1 3.42Å; R56-E153 IonicContact NH2-OE1 2.63Å; R56-E153 PolarHBondContact NH2-OE1 2.96Å; Q149-E153 VanDerWaalsContact O-CG 3.28Å; Q149-E153 WeakPolarHBondContact O-CG 3.38Å; Q149-E153 PolarHBondContact O-N 2.92Å; F151-E153 VanDerWaalsContact C-N 3.3Å; F151-E153 PolarHBondContact O-N 3.37Å; E153-Q157 PolarHBondContact O-NE2 2.79Å
154	R	93.8	Very high	92.5	Very high	159 Å²	159	63.9 Å²	63.9	60%	0.6	32%	0.32	S	S	*	.	H	α-helix	trans	-73.2	-33.7	176.8	-69.6	-172	-61.4	-84.3	2.6	112.7	R150 F151 C152 Q157	R150-R154 PolarHBondContact O-N 2.93Å; R150-R154 PolarHBondContact O-NH1 2.69Å; F151-R154 PolarHBondContact O-N 3.33Å; F151-R154 VanDerWaalsContact O-N 3.16Å; C152-R154 VanDerWaalsContact C-N 3.28Å; C152-R154 PolarHBondContact O-N 2.8Å; R154-Q157 VanDerWaalsContact O-CG 3.28Å; R154-Q157 WeakPolarHBondContact O-CG 3.48Å
155	L	94.6	Very high	92.9	Very high	19 Å²	19	61.9 Å²	61.9	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-71.1	-42.4	-178.4	-179	64.9	0	0	0	112.3	L74 T135 F151 C152 Q157 M165	L74-L155 HydrophobicContact CD1-CD2 3.82Å; T135-L155 HydrophobicContact CG2-CD1 4.06Å; T135-L155 HydrophobicContact CG2-CD2 3.36Å; T135-L155 HydrophobicContact CG2-CG 4.34Å; F151-L155 HydrophobicContact CE1-CD2 4.02Å; F151-L155 PolarHBondContact O-N 3.25Å; F151-L155 VanDerWaalsContact O-N 3.1Å; C152-L155 PolarHBondContact O-N 2.8Å; C152-L155 VanDerWaalsContact O-N 3.14Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; L155-Q157 PolarHBondContact O-N 2.99Å; L155-Q157 VanDerWaalsContact O-N 3.12Å; L155-M165 HydrophobicContact CD1-CE 3.62Å; L155-M165 HydrophobicContact CD2-CE 3.77Å; L155-M165 HydrophobicContact CD2-SD 4.32Å; L155-M165 HydrophobicContact CG-CE 3.68Å
156	F	94.8	Very high	93.4	Very high	25 Å²	25	58.7 Å²	58.7	11%	0.11	28%	0.276	C	S	.	.			trans	-90.4	62.3	-174.4	-71.6	-80.4	0	0	0	112.7	R67 L70 F71 L74 C152 E162	R67-F156 HydrophobicContact CG-CD1 3.71Å; R67-F156 HydrophobicContact CG-CE1 4.13Å; L70-F156 HydrophobicContact CB-CE1 4.37Å; L70-F156 HydrophobicContact CB-CZ 4.03Å; L70-F156 HydrophobicContact CD2-CE1 4.15Å; L70-F156 HydrophobicContact CD2-CZ 3.87Å; L70-F156 HydrophobicContact CG-CE1 4.4Å; L70-F156 HydrophobicContact CG-CZ 3.79Å; F71-F156 HydrophobicContact CB-CD2 4.34Å; F71-F156 HydrophobicContact CB-CE2 4.17Å; F71-F156 HydrophobicContact CB-CZ 4.44Å; F71-F156 HydrophobicContact CD2-CB 4.35Å; F71-F156 AromaticContact CD2-CD2 3.53Å; F71-F156 HydrophobicContact CD2-CD2 3.53Å; F71-F156 HydrophobicContact CD2-CE2 4.07Å; F71-F156 HydrophobicContact CD2-CG 4.06Å; F71-F156 HydrophobicContact CE2-CD2 4.19Å; F71-F156 HydrophobicContact CG-CD2 4.38Å; L74-F156 HydrophobicContact CD1-CE2 4Å; L74-F156 HydrophobicContact CD1-CZ 4.03Å; C152-F156 HydrophobicContact CB-CD2 4.09Å; C152-F156 HydrophobicContact CB-CE2 4.26Å; C152-F156 VanDerWaalsContact O-CD2 3.22Å; C152-F156 WeakPolarHBondContact O-CD2 3.34Å; C152-F156 PolarHBondContact O-N 2.7Å; F156-E162 WeakPolarHBondContact CA-OE2 3.43Å; F156-E162 HydrophobicContact CD1-CG 3.7Å; F156-E162 HydrophobicContact CE1-CG 4.13Å
157	Q	89.4	Confident	93.7	Very high	127 Å²	127	56.1 Å²	56.1	59%	0.593	26%	0.255	S	S	*	.	S	Bend	trans	-106.4	0.5	178.6	-65.3	-65.6	-34.2	0	0	113.8	E153 R154 L155 E159 E162	E153-Q157 PolarHBondContact O-NE2 2.79Å; R154-Q157 VanDerWaalsContact O-CG 3.28Å; R154-Q157 WeakPolarHBondContact O-CG 3.48Å; L155-Q157 VanDerWaalsContact C-N 3.34Å; L155-Q157 PolarHBondContact O-N 2.99Å; L155-Q157 VanDerWaalsContact O-N 3.12Å; Q157-E159 HydrophobicContact CB-CG 4.31Å; Q157-E162 PolarHBondContact N-OE2 2.93Å; Q157-E162 VanDerWaalsContact N-OE2 3.15Å
158	G	84.5	Confident	93.9	Very high	20 Å²	20	51.9 Å²	51.9	21%	0.206	24%	0.235	C	C	.	.	S	Bend	trans	86.3	17.9	-178.8	0	0	0	0	0	114.7	E162	G158-E162 WeakPolarHBondContact CA-OE2 3.49Å; G158-E162 PolarHBondContact N-OE2 3.22Å
159	E	89.4	Confident	94.1	Very high	132 Å²	132	51.1 Å²	51.1	62%	0.617	23%	0.232	S	C	*	.	S	Bend	trans	-84	174.7	179.3	-58.6	-58	147	0	0	112.2	Q157 E161 E162 L163	Q157-E159 HydrophobicContact CB-CG 4.31Å; E159-E161 VanDerWaalsContact C-N 3.28Å; E159-E161 PolarHBondContact O-N 3.23Å; E159-E162 WeakPolarHBondContact O-CB 3.28Å; E159-E162 PolarHBondContact O-N 3.3Å; E159-E162 VanDerWaalsContact O-N 3.1Å; E159-L163 PolarHBondContact O-N 2.78Å; E159-L163 VanDerWaalsContact O-N 3.14Å
160	E	91.2	Very high	94.4	Very high	140 Å²	140	49.2 Å²	49.2	65%	0.654	22%	0.223	S	C	*	.	H	α-helix	trans	-55.4	-39.9	-176	-172.8	179.3	-179.5	0	0	113.4	E162 L163 G164	E160-E162 VanDerWaalsContact C-N 3.35Å; E160-E162 PolarHBondContact O-N 2.91Å; E160-L163 PolarHBondContact O-N 2.76Å; E160-G164 PolarHBondContact O-N 3.15Å
161	E	93.6	Very high	94.7	Very high	116 Å²	116	42.1 Å²	42.1	54%	0.542	20%	0.197	S	C	.	.	H	α-helix	trans	-62.3	-42	178.6	-65.8	-176.9	160	0	0	112.1	L131 E159 G164 M165	L131-E161 HydrophobicContact CD2-CB 4.2Å; L131-E161 WeakPolarHBondContact CD2-O 3.33Å; E159-E161 VanDerWaalsContact C-N 3.28Å; E159-E161 PolarHBondContact O-N 3.23Å; E161-G164 PolarHBondContact O-N 3.46Å; E161-M165 WeakPolarHBondContact O-CE 3.37Å; E161-M165 WeakPolarHBondContact O-CG 3.43Å; E161-M165 PolarHBondContact O-N 3.47Å; E161-M165 VanDerWaalsContact O-N 3.09Å
162	E	96	Very high	94.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	19%	0.194	C	C	.	.	H	α-helix	trans	-60.5	-51.6	175.3	-175.9	-167.2	120.8	0	0	110.2	R67 F156 Q157 G158 E159 E160 G164 M165 L166	R67-E162 IonicContact CZ-OE1 3.35Å; R67-E162 IonicContact NE-OE1 2.7Å; R67-E162 PolarHBondContact NE-OE1 3.45Å; R67-E162 IonicContact NE-OE2 3.94Å; R67-E162 IonicContact NH2-OE1 2.99Å; R67-E162 PolarHBondContact NH2-OE1 2.99Å; F156-E162 WeakPolarHBondContact CA-OE2 3.43Å; F156-E162 HydrophobicContact CD1-CG 3.7Å; F156-E162 HydrophobicContact CE1-CG 4.13Å; Q157-E162 PolarHBondContact N-OE2 2.93Å; Q157-E162 VanDerWaalsContact N-OE2 3.15Å; G158-E162 WeakPolarHBondContact CA-OE2 3.49Å; G158-E162 PolarHBondContact N-OE2 3.22Å; E159-E162 WeakPolarHBondContact O-CB 3.28Å; E159-E162 PolarHBondContact O-N 3.3Å; E159-E162 VanDerWaalsContact O-N 3.1Å; E160-E162 VanDerWaalsContact C-N 3.35Å; E160-E162 PolarHBondContact O-N 2.91Å; E162-G164 VanDerWaalsContact C-N 3.29Å; E162-G164 PolarHBondContact O-N 2.79Å; E162-M165 PolarHBondContact O-N 3.14Å; E162-L166 HydrophobicContact CG-CD1 3.96Å; E162-L166 HydrophobicContact CG-CG 4.48Å; E162-L166 VanDerWaalsContact O-CG 3.27Å; E162-L166 WeakPolarHBondContact O-CG 3.29Å; E162-L166 PolarHBondContact O-N 3.02Å
163	L	95	Very high	95	Very high	53 Å²	53	41.4 Å²	41.4	28%	0.277	19%	0.194	S	C	.	.	H	α-helix	trans	-60.7	-40.1	-179.2	-63.8	177.4	0	0	0	111.5	Y63 E159 E160 L166 E167	Y63-L163 HydrophobicContact CD2-CD2 4.21Å; Y63-L163 HydrophobicContact CE2-CD2 3.89Å; E159-L163 PolarHBondContact O-N 2.78Å; E159-L163 VanDerWaalsContact O-N 3.14Å; E160-L163 PolarHBondContact O-N 2.76Å; L163-L166 HydrophobicContact CD2-CD1 4.47Å; L163-L166 PolarHBondContact O-N 3.23Å; L163-E167 WeakPolarHBondContact O-CG 3.42Å; L163-E167 PolarHBondContact O-N 2.88Å
164	G	96.1	Very high	95.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.9	-46.9	175.3	0	0	0	0	0	112.6	Y128 E160 E161 E162 L166 E167 A168	Y128-G164 WeakPolarHBondContact CB-O 3.45Å; Y128-G164 VanDerWaalsContact CE1-CA 3.47Å; E160-G164 PolarHBondContact O-N 3.15Å; E161-G164 PolarHBondContact O-N 3.46Å; E162-G164 VanDerWaalsContact C-N 3.29Å; E162-G164 PolarHBondContact O-N 2.79Å; G164-L166 VanDerWaalsContact C-N 3.33Å; G164-L166 PolarHBondContact O-N 3.16Å; G164-E167 PolarHBondContact O-N 3.44Å; G164-A168 PolarHBondContact O-N 3.16Å
165	M	97.9	Very high	95.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.7	-34.8	176.4	-66.7	-178.3	-67	0	0	112.9	L70 L131 L132 T135 L155 E161 E162 E167 A168 L169	L70-M165 HydrophobicContact CD2-CB 3.81Å; L70-M165 HydrophobicContact CD2-SD 4.38Å; L131-M165 HydrophobicContact CD2-CG 4.05Å; L131-M165 HydrophobicContact CG-CG 3.99Å; L132-M165 HydrophobicContact CD1-CB 4.39Å; L132-M165 HydrophobicContact CD1-CG 4.43Å; T135-M165 HydrophobicContact CG2-CE 4.4Å; T135-M165 HydrophobicContact CG2-SD 3.56Å; T135-M165 VanDerWaalsContact CG2-SD 3.56Å; L155-M165 HydrophobicContact CD1-CE 3.62Å; L155-M165 HydrophobicContact CD2-CE 3.77Å; L155-M165 HydrophobicContact CD2-SD 4.32Å; L155-M165 HydrophobicContact CG-CE 3.68Å; E161-M165 WeakPolarHBondContact O-CE 3.37Å; E161-M165 WeakPolarHBondContact O-CG 3.43Å; E161-M165 PolarHBondContact O-N 3.47Å; E161-M165 VanDerWaalsContact O-N 3.09Å; E162-M165 PolarHBondContact O-N 3.14Å; M165-E167 VanDerWaalsContact C-N 3.33Å; M165-A168 WeakPolarHBondContact O-CB 3.43Å; M165-A168 PolarHBondContact O-N 3.49Å; M165-L169 WeakPolarHBondContact O-CD1 3.39Å; M165-L169 PolarHBondContact O-N 3.12Å
166	L	97.9	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.4	-35.3	176.2	-63.4	169.3	0	0	0	111.5	Y63 L66 R67 E162 L163 G164 L169 K170	Y63-L166 HydrophobicContact CD1-CB 3.81Å; Y63-L166 HydrophobicContact CD1-CD1 3.84Å; Y63-L166 HydrophobicContact CD1-CG 4.3Å; Y63-L166 HydrophobicContact CD2-CD1 4.29Å; Y63-L166 HydrophobicContact CE1-CB 3.88Å; Y63-L166 HydrophobicContact CE1-CD1 4.45Å; Y63-L166 HydrophobicContact CG-CD1 3.75Å; L66-L166 HydrophobicContact CB-CD2 3.66Å; R67-L166 HydrophobicContact CB-CD2 4.27Å; E162-L166 HydrophobicContact CG-CD1 3.96Å; E162-L166 HydrophobicContact CG-CG 4.48Å; E162-L166 VanDerWaalsContact O-CG 3.27Å; E162-L166 WeakPolarHBondContact O-CG 3.29Å; E162-L166 PolarHBondContact O-N 3.02Å; L163-L166 HydrophobicContact CD2-CD1 4.47Å; L163-L166 PolarHBondContact O-N 3.23Å; G164-L166 VanDerWaalsContact C-N 3.33Å; G164-L166 PolarHBondContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 3.23Å; L166-K170 PolarHBondContact O-N 2.89Å; L166-K170 VanDerWaalsContact O-N 3.14Å
167	E	97.5	Very high	95.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.7	-36.7	170.1	-69	-63.5	124.8	0	0	112.3	Y63 W106 P109 Y128 L163 G164 M165 L169 K170 L171	Y63-E167 PolarHBondContact OH-OE1 2.92Å; W106-E167 WeakPolarHBondContact CZ2-OE2 3.44Å; W106-E167 PolarHBondContact NE1-OE2 2.81Å; P109-E167 HydrophobicContact CG-CG 4.27Å; Y128-E167 HydrophobicContact CD2-CB 3.88Å; Y128-E167 HydrophobicContact CE2-CB 4.19Å; Y128-E167 HydrophobicContact CE2-CG 4.47Å; L163-E167 WeakPolarHBondContact O-CG 3.42Å; L163-E167 PolarHBondContact O-N 2.88Å; G164-E167 PolarHBondContact O-N 3.44Å; M165-E167 VanDerWaalsContact C-N 3.33Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-L169 PolarHBondContact O-N 3.48Å; E167-K170 WeakPolarHBondContact O-CB 3.44Å; E167-K170 PolarHBondContact O-N 3.33Å; E167-K170 WeakPolarHBondContact OE1-CD 3.32Å; E167-K170 WeakPolarHBondContact OE1-CE 3.34Å; E167-K170 IonicContact OE1-NZ 3.59Å; E167-K170 PolarHBondContact OE1-NZ 3.45Å; E167-K170 IonicContact OE2-NZ 3.69Å; E167-K170 PolarHBondContact OE2-NZ 3.49Å; E167-L171 PolarHBondContact O-N 3.4Å
168	A	98.2	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.3	-40.2	172.3	0	0	0	0	0	112	M129 L132 G164 M165 L171 L172	M129-A168 HydrophobicContact SD-CB 3.76Å; L132-A168 HydrophobicContact CB-CB 4.09Å; L132-A168 HydrophobicContact CD2-CB 4.04Å; G164-A168 PolarHBondContact O-N 3.16Å; M165-A168 WeakPolarHBondContact O-CB 3.43Å; M165-A168 PolarHBondContact O-N 3.49Å; A168-L171 WeakPolarHBondContact O-CB 3.31Å; A168-L171 PolarHBondContact O-N 3.09Å; A168-L172 WeakPolarHBondContact O-CG 3.36Å; A168-L172 PolarHBondContact O-N 2.86Å
169	L	98.7	Very high	96.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-43.8	173.8	-96.9	62	0	0	0	111.7	L66 L70 L132 M165 L166 E167 L171 L172 M173 L231 L235	L66-L169 HydrophobicContact CB-CD2 4.49Å; L66-L169 HydrophobicContact CD2-CB 4.17Å; L66-L169 HydrophobicContact CD2-CD2 4.15Å; L70-L169 HydrophobicContact CB-CD2 3.94Å; L70-L169 HydrophobicContact CD1-CD1 3.96Å; L70-L169 HydrophobicContact CD1-CD2 4.28Å; L70-L169 HydrophobicContact CD2-CD1 4.12Å; L70-L169 HydrophobicContact CD2-CD2 4.35Å; L70-L169 HydrophobicContact CG-CD2 4.4Å; L132-L169 HydrophobicContact CD1-CD1 3.9Å; L132-L169 HydrophobicContact CD2-CD1 3.87Å; M165-L169 WeakPolarHBondContact O-CD1 3.39Å; M165-L169 PolarHBondContact O-N 3.12Å; L166-L169 PolarHBondContact O-N 3.23Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-L169 PolarHBondContact O-N 3.48Å; L169-L171 VanDerWaalsContact C-N 3.29Å; L169-L171 PolarHBondContact O-N 2.73Å; L169-L172 PolarHBondContact O-N 2.89Å; L169-M173 WeakPolarHBondContact O-CG 3.22Å; L169-M173 PolarHBondContact O-N 2.95Å; L169-L231 HydrophobicContact CD2-CD1 4.17Å; L169-L231 HydrophobicContact CG-CD1 4.46Å; L169-L235 HydrophobicContact CD1-CD2 4.4Å; L169-L235 HydrophobicContact CD2-CD1 4.38Å; L169-L235 HydrophobicContact CG-CD2 4.26Å
170	K	98.7	Very high	97.3	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-58.7	-42.6	174	-71.6	166.3	54.6	179.4	0	111	Y63 L66 W106 L166 E167 L172 M173 L174 L214 V217	Y63-K170 HydrophobicContact CE1-CD 4.23Å; L66-K170 HydrophobicContact CD1-CD 4.27Å; L66-K170 HydrophobicContact CD1-CG 3.84Å; W106-K170 HydrophobicContact CH2-CB 3.86Å; W106-K170 HydrophobicContact CZ2-CB 3.9Å; L166-K170 PolarHBondContact O-N 2.89Å; L166-K170 VanDerWaalsContact O-N 3.14Å; E167-K170 WeakPolarHBondContact O-CB 3.44Å; E167-K170 PolarHBondContact O-N 3.33Å; E167-K170 WeakPolarHBondContact OE1-CD 3.32Å; E167-K170 WeakPolarHBondContact OE1-CE 3.34Å; E167-K170 IonicContact OE1-NZ 3.59Å; E167-K170 PolarHBondContact OE1-NZ 3.45Å; E167-K170 IonicContact OE2-NZ 3.69Å; E167-K170 PolarHBondContact OE2-NZ 3.49Å; K170-L172 PolarHBondContact O-N 2.95Å; K170-M173 WeakPolarHBondContact O-CB 3.37Å; K170-M173 PolarHBondContact O-N 2.96Å; K170-L174 PolarHBondContact O-N 3.04Å; K170-L214 HydrophobicContact CB-CD1 4.01Å; K170-L214 HydrophobicContact CB-CD2 4.27Å; K170-L214 HydrophobicContact CB-CG 4.15Å; K170-L214 WeakPolarHBondContact CE-O 3.23Å; K170-L214 HydrophobicContact CG-CD1 3.89Å; K170-L214 HydrophobicContact CG-CG 4.34Å; K170-L214 WeakPolarHBondContact O-CD2 3.43Å; K170-V217 HydrophobicContact CD-CB 4.28Å; K170-V217 HydrophobicContact CD-CG1 4.35Å; K170-V217 PolarHBondContact NZ-O 3.49Å; K170-V217 VanDerWaalsContact NZ-O 3.09Å
171	L	98.4	Very high	97.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.3	-45	177.3	177.7	71	0	0	0	111.7	L92 P93 L96 I103 W106 L125 M129 E167 A168 L169 M173 L174 G175	L92-L171 HydrophobicContact CD2-CD2 4.34Å; L92-L171 HydrophobicContact CD2-CG 4Å; L92-L171 HydrophobicContact CG-CG 4.4Å; P93-L171 HydrophobicContact CG-CD2 3.69Å; L96-L171 HydrophobicContact CD1-CD1 3.79Å; I103-L171 HydrophobicContact CD1-CD1 3.82Å; W106-L171 HydrophobicContact CH2-CB 4.11Å; W106-L171 HydrophobicContact CZ3-CD1 4.26Å; L125-L171 HydrophobicContact CB-CD2 4.21Å; L125-L171 HydrophobicContact CD1-CD1 4.24Å; L125-L171 HydrophobicContact CD2-CB 4.39Å; M129-L171 HydrophobicContact CG-CD2 3.61Å; M129-L171 HydrophobicContact SD-CD2 3.91Å; E167-L171 PolarHBondContact O-N 3.4Å; A168-L171 WeakPolarHBondContact O-CB 3.31Å; A168-L171 PolarHBondContact O-N 3.09Å; L169-L171 VanDerWaalsContact C-N 3.29Å; L169-L171 PolarHBondContact O-N 2.73Å; L171-M173 VanDerWaalsContact C-N 3.31Å; L171-M173 PolarHBondContact O-N 3.01Å; L171-L174 PolarHBondContact O-N 2.93Å; L171-G175 PolarHBondContact O-N 3.39Å
172	L	98.6	Very high	97.8	Very high	12 Å²	12	14.1 Å²	14.1	6%	0.063	8%	0.081	C	C	.	.	H	α-helix	trans	-60.2	-41.9	176.2	-71.4	170.8	0	0	0	111.6	W83 V89 L92 M129 L132 A168 L169 K170 G175 R176 A234 L235	W83-L172 HydrophobicContact CE3-CD2 4.44Å; W83-L172 HydrophobicContact CH2-CD1 3.61Å; W83-L172 HydrophobicContact CZ3-CD1 3.64Å; W83-L172 HydrophobicContact CZ3-CD2 3.82Å; W83-L172 HydrophobicContact CZ3-CG 4.4Å; V89-L172 HydrophobicContact CG2-CD2 3.8Å; L92-L172 HydrophobicContact CD2-CD2 4.24Å; M129-L172 HydrophobicContact CE-CD1 4.2Å; M129-L172 HydrophobicContact CE-CD2 3.79Å; M129-L172 HydrophobicContact CE-CG 4.03Å; M129-L172 HydrophobicContact SD-CD1 4.48Å; M129-L172 HydrophobicContact SD-CD2 4.29Å; M129-L172 HydrophobicContact SD-CG 4.04Å; L132-L172 HydrophobicContact CD2-CD1 3.81Å; A168-L172 WeakPolarHBondContact O-CG 3.36Å; A168-L172 PolarHBondContact O-N 2.86Å; L169-L172 PolarHBondContact O-N 2.89Å; K170-L172 PolarHBondContact O-N 2.95Å; L172-G175 PolarHBondContact O-N 2.99Å; L172-R176 WeakPolarHBondContact O-CB 3.37Å; L172-R176 PolarHBondContact O-N 2.94Å; L172-A234 HydrophobicContact CB-CB 4.08Å; L172-L235 HydrophobicContact CD1-CD2 4.4Å
173	M	98.8	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60.5	-45.4	173.9	-69.1	175.2	69.5	0	0	111.7	L66 L169 K170 L171 R176 A177 L214 L223 E227 L230 L231 A234	L66-M173 HydrophobicContact CD2-SD 3.9Å; L169-M173 WeakPolarHBondContact O-CG 3.22Å; L169-M173 PolarHBondContact O-N 2.95Å; K170-M173 WeakPolarHBondContact O-CB 3.37Å; K170-M173 PolarHBondContact O-N 2.96Å; L171-M173 VanDerWaalsContact C-N 3.31Å; L171-M173 PolarHBondContact O-N 3.01Å; M173-R176 PolarHBondContact O-N 3.37Å; M173-A177 WeakPolarHBondContact O-CB 3.24Å; M173-A177 PolarHBondContact O-N 2.91Å; M173-L214 HydrophobicContact CB-CD1 4.44Å; M173-L214 HydrophobicContact CE-CD1 4.38Å; M173-L214 HydrophobicContact SD-CD1 4.39Å; M173-L223 HydrophobicContact CE-CD1 4.21Å; M173-L223 HydrophobicContact CE-CD2 3.72Å; M173-L223 HydrophobicContact SD-CD1 4.46Å; M173-L223 HydrophobicContact SD-CD2 4.34Å; M173-E227 HydrophobicContact CE-CB 4.24Å; M173-E227 WeakPolarHBondContact CE-O 3.35Å; M173-L230 HydrophobicContact CB-CD2 3.99Å; M173-L230 HydrophobicContact CB-CG 4.08Å; M173-L230 HydrophobicContact CE-CB 4.26Å; M173-L230 HydrophobicContact CE-CD2 4.06Å; M173-L230 HydrophobicContact CE-CG 4.2Å; M173-L230 HydrophobicContact CG-CG 4.37Å; M173-L231 HydrophobicContact CE-CB 4.17Å; M173-L231 HydrophobicContact CG-CD1 4.25Å; M173-L231 HydrophobicContact SD-CB 4.09Å; M173-L231 HydrophobicContact SD-CD1 3.9Å; M173-A234 HydrophobicContact CG-CB 3.91Å
174	L	98.3	Very high	98.1	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63	-44.1	177.2	-176.5	62.3	0	0	0	112	L96 L102 W106 K170 L171 R176 A177 A178 F209 L210 L214	L96-L174 HydrophobicContact CD1-CD2 4.19Å; L96-L174 HydrophobicContact CD1-CG 4.23Å; L102-L174 HydrophobicContact CB-CD2 4.12Å; L102-L174 HydrophobicContact CD1-CD1 4.27Å; L102-L174 HydrophobicContact CD1-CD2 4.22Å; L102-L174 HydrophobicContact CD1-CG 4.3Å; W106-L174 HydrophobicContact CE3-CD2 4.4Å; W106-L174 HydrophobicContact CZ3-CD2 3.78Å; K170-L174 PolarHBondContact O-N 3.04Å; L171-L174 PolarHBondContact O-N 2.93Å; L174-R176 VanDerWaalsContact C-N 3.35Å; L174-R176 PolarHBondContact O-N 3.24Å; L174-A177 PolarHBondContact O-N 3.26Å; L174-A178 WeakPolarHBondContact O-CB 3.37Å; L174-A178 PolarHBondContact O-N 3.44Å; L174-F209 HydrophobicContact CD1-CD1 4.27Å; L174-L210 HydrophobicContact CD1-CB 4.01Å; L174-L210 HydrophobicContact CD2-CD1 4.26Å; L174-L210 HydrophobicContact CD2-CD2 3.98Å; L174-L210 HydrophobicContact CD2-CG 4.5Å; L174-L214 HydrophobicContact CB-CD2 3.76Å; L174-L214 HydrophobicContact CD1-CD2 4.46Å
175	G	97.8	Very high	98.1	Very high	10 Å²	10	22.7 Å²	22.7	10%	0.103	12%	0.116	C	C	.	.	H	α-helix	trans	-57.9	-47.9	176.3	0	0	0	0	0	111.9	L171 L172 A177 A178 E179	L171-G175 PolarHBondContact O-N 3.39Å; L172-G175 PolarHBondContact O-N 2.99Å; G175-A177 PolarHBondContact O-N 2.97Å; G175-A178 PolarHBondContact O-N 3.24Å; G175-E179 PolarHBondContact O-N 3.02Å
176	R	98.6	Very high	98.1	Very high	53 Å²	53	25.9 Å²	25.9	20%	0.2	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-39.5	177	-173.9	60.2	64	-177	3.3	112.3	L172 M173 L174 E179 L180 L230 Y233 A234	L172-R176 WeakPolarHBondContact O-CB 3.37Å; L172-R176 PolarHBondContact O-N 2.94Å; M173-R176 PolarHBondContact O-N 3.37Å; L174-R176 VanDerWaalsContact C-N 3.35Å; L174-R176 PolarHBondContact O-N 3.24Å; R176-E179 IonicContact CZ-OE2 2.73Å; R176-E179 IonicContact NE-OE2 3.45Å; R176-E179 VanDerWaalsContact NH1-CD 3.27Å; R176-E179 IonicContact NH1-OE1 3.23Å; R176-E179 PolarHBondContact NH1-OE1 3.34Å; R176-E179 VanDerWaalsContact NH1-OE1 3.14Å; R176-E179 IonicContact NH1-OE2 3.39Å; R176-E179 PolarHBondContact NH1-OE2 3.26Å; R176-E179 PolarHBondContact O-N 2.71Å; R176-L180 HydrophobicContact CG-CD1 3.93Å; R176-L180 HydrophobicContact CG-CG 4.34Å; R176-L180 WeakPolarHBondContact O-CB 3.48Å; R176-L180 VanDerWaalsContact O-CG 3.29Å; R176-L180 WeakPolarHBondContact O-CG 3.46Å; R176-L180 PolarHBondContact O-N 3.39Å; R176-L230 HydrophobicContact CB-CD1 3.97Å; R176-L230 HydrophobicContact CG-CD1 3.9Å; R176-Y233 PolarHBondContact NE-O 3.39Å; R176-A234 HydrophobicContact CB-CB 4.44Å
177	A	98.4	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-42.7	175.8	0	0	0	0	0	111.5	M173 L174 G175 H181 L197 F198 F209 L230	M173-A177 WeakPolarHBondContact O-CB 3.24Å; M173-A177 PolarHBondContact O-N 2.91Å; L174-A177 PolarHBondContact O-N 3.26Å; G175-A177 PolarHBondContact O-N 2.97Å; A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 3.44Å; A177-L197 HydrophobicContact CB-CD2 4.49Å; A177-F198 HydrophobicContact CB-CZ 4.07Å; A177-F198 WeakPolarHBondContact O-CZ 3.48Å; A177-F209 HydrophobicContact CB-CD1 4.06Å; A177-F209 HydrophobicContact CB-CE1 4.21Å; A177-L230 HydrophobicContact CB-CD1 4.12Å; A177-L230 HydrophobicContact CB-CD2 3.99Å
178	A	97.8	Very high	98.1	Very high	16 Å²	16	34.3 Å²	34.3	13%	0.132	20%	0.201	C	C	.	.	H	α-helix	trans	-64.3	-44.8	176.9	0	0	0	0	0	112.3	L96 L174 G175 H181 G182 P206	L96-A178 HydrophobicContact CD2-CB 3.79Å; L174-A178 WeakPolarHBondContact O-CB 3.37Å; L174-A178 PolarHBondContact O-N 3.44Å; G175-A178 PolarHBondContact O-N 3.24Å; A178-H181 PolarHBondContact O-N 3.29Å; A178-G182 PolarHBondContact O-N 3.38Å; A178-P206 HydrophobicContact CB-CB 4.22Å; A178-P206 HydrophobicContact CB-CG 4.15Å
179	E	97.7	Very high	98.1	Very high	85 Å²	85	41 Å²	41	40%	0.397	24%	0.237	S	C	.	.	H	α-helix	trans	-60	-52.7	175.7	-175.9	-161.3	148.5	0	0	111.8	G175 R176 H181 G182 R183	G175-E179 PolarHBondContact O-N 3.02Å; R176-E179 IonicContact CZ-OE2 2.73Å; R176-E179 IonicContact NE-OE2 3.45Å; R176-E179 VanDerWaalsContact NH1-CD 3.27Å; R176-E179 IonicContact NH1-OE1 3.23Å; R176-E179 PolarHBondContact NH1-OE1 3.34Å; R176-E179 VanDerWaalsContact NH1-OE1 3.14Å; R176-E179 IonicContact NH1-OE2 3.39Å; R176-E179 PolarHBondContact NH1-OE2 3.26Å; R176-E179 PolarHBondContact O-N 2.71Å; E179-H181 VanDerWaalsContact C-N 3.33Å; E179-H181 PolarHBondContact O-N 3.08Å; E179-G182 PolarHBondContact O-N 3.48Å; E179-R183 WeakPolarHBondContact O-CG 3.48Å; E179-R183 PolarHBondContact O-N 3.09Å
180	L	98.4	Very high	98	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-39.8	-179	-69.8	174.5	0	0	0	111.5	R176 R183 M184 F193 C194	R176-L180 HydrophobicContact CG-CD1 3.93Å; R176-L180 HydrophobicContact CG-CG 4.34Å; R176-L180 WeakPolarHBondContact O-CB 3.48Å; R176-L180 VanDerWaalsContact O-CG 3.29Å; R176-L180 WeakPolarHBondContact O-CG 3.46Å; R176-L180 PolarHBondContact O-N 3.39Å; L180-R183 PolarHBondContact O-N 3.42Å; L180-M184 VanDerWaalsContact O-CB 3.31Å; L180-M184 WeakPolarHBondContact O-CB 3.46Å; L180-M184 PolarHBondContact O-N 3.08Å; L180-F193 HydrophobicContact CD1-CE1 4.42Å; L180-F193 HydrophobicContact CD1-CE2 4.3Å; L180-F193 HydrophobicContact CD1-CZ 3.63Å; L180-C194 HydrophobicContact CB-CB 4.48Å
181	H	98.2	Very high	98	Very high	22 Å²	22	42.1 Å²	42.1	10%	0.102	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-43.7	173.5	-177.1	-94.6	0	0	0	111.9	A177 A178 E179 R183 M184 Q185 F198 P206	A177-H181 WeakPolarHBondContact O-CB 3.34Å; A177-H181 PolarHBondContact O-N 3.44Å; A178-H181 PolarHBondContact O-N 3.29Å; E179-H181 VanDerWaalsContact C-N 3.33Å; E179-H181 PolarHBondContact O-N 3.08Å; H181-R183 VanDerWaalsContact C-N 3.33Å; H181-R183 PolarHBondContact O-N 2.84Å; H181-M184 VanDerWaalsContact CD2-CE 3.41Å; H181-M184 WeakPolarHBondContact CD2-CE 3.36Å; H181-M184 WeakPolarHBondContact O-CB 3.31Å; H181-M184 PolarHBondContact O-N 2.92Å; H181-Q185 VanDerWaalsContact CE1-CG 3.46Å; H181-Q185 WeakPolarHBondContact CE1-CG 3.31Å; H181-Q185 PolarHBondContact NE2-NE2 2.91Å; H181-Q185 WeakPolarHBondContact O-CG 3.48Å; H181-Q185 PolarHBondContact O-N 3.38Å; H181-F198 HydrophobicContact CB-CD2 4.3Å; H181-F198 HydrophobicContact CB-CE1 4.22Å; H181-F198 HydrophobicContact CB-CE2 3.68Å; H181-F198 HydrophobicContact CB-CZ 3.66Å; H181-F198 AromaticContact CD2-CD1 3.74Å; H181-F198 AromaticContact CD2-CD2 3.99Å; H181-F198 AromaticContact CD2-CE1 3.96Å; H181-F198 AromaticContact CD2-CG 3.81Å; H181-P206 HydrophobicContact CB-CG 3.74Å
182	G	97.5	Very high	97.9	Very high	39 Å²	39	48.3 Å²	48.3	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-59.3	-43.5	176.5	0	0	0	0	0	112.4	A178 E179 Q185 A186	A178-G182 PolarHBondContact O-N 3.38Å; E179-G182 PolarHBondContact O-N 3.48Å; G182-Q185 PolarHBondContact O-N 2.95Å; G182-A186 WeakPolarHBondContact O-CB 3.26Å; G182-A186 PolarHBondContact O-N 2.93Å
183	R	98.4	Very high	97.9	Very high	87 Å²	87	48.1 Å²	48.1	33%	0.328	28%	0.276	S	S	.	.	H	α-helix	trans	-62.2	-45.5	174.2	-67.4	175.4	55.2	179	-5.4	111.9	E179 L180 H181 Q185 A186 G187 Q188 D189 V190	E179-R183 WeakPolarHBondContact O-CG 3.48Å; E179-R183 PolarHBondContact O-N 3.09Å; L180-R183 PolarHBondContact O-N 3.42Å; H181-R183 VanDerWaalsContact C-N 3.33Å; H181-R183 PolarHBondContact O-N 2.84Å; R183-Q185 VanDerWaalsContact C-N 3.35Å; R183-Q185 PolarHBondContact O-N 2.94Å; R183-A186 CarbonylContact O-C 3.54Å; R183-A186 PolarHBondContact O-N 2.98Å; R183-A186 VanDerWaalsContact O-N 3.13Å; R183-G187 PolarHBondContact O-N 2.59Å; R183-Q188 HydrophobicContact CB-CB 4.15Å; R183-Q188 WeakPolarHBondContact O-CB 3.3Å; R183-Q188 PolarHBondContact O-N 3.14Å; R183-D189 PolarHBondContact NH2-O 3.2Å; R183-V190 HydrophobicContact CB-CG1 3.65Å
184	M	97.8	Very high	97.8	Very high	16 Å²	16	48.2 Å²	48.2	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-45.6	176.9	-172.3	-175.9	74.1	0	0	111.5	L180 H181 A186 G187 V190 W195 F198	L180-M184 VanDerWaalsContact O-CB 3.31Å; L180-M184 WeakPolarHBondContact O-CB 3.46Å; L180-M184 PolarHBondContact O-N 3.08Å; H181-M184 VanDerWaalsContact CD2-CE 3.41Å; H181-M184 WeakPolarHBondContact CD2-CE 3.36Å; H181-M184 WeakPolarHBondContact O-CB 3.31Å; H181-M184 PolarHBondContact O-N 2.92Å; M184-A186 VanDerWaalsContact C-N 3.31Å; M184-A186 PolarHBondContact O-N 3.31Å; M184-G187 PolarHBondContact O-N 3.06Å; M184-G187 VanDerWaalsContact O-N 3.12Å; M184-V190 HydrophobicContact CB-CG1 4.19Å; M184-V190 HydrophobicContact CB-CG2 4.12Å; M184-V190 HydrophobicContact CG-CG2 4.16Å; M184-W195 HydrophobicContact CG-CD2 4.11Å; M184-W195 HydrophobicContact CG-CE3 3.74Å; M184-W195 HydrophobicContact CG-CH2 3.31Å; M184-W195 HydrophobicContact CG-CZ2 3.7Å; M184-W195 HydrophobicContact CG-CZ3 3.33Å; M184-W195 HydrophobicContact SD-CD2 3.98Å; M184-W195 HydrophobicContact SD-CE3 3.47Å; M184-W195 HydrophobicContact SD-CH2 4.21Å; M184-W195 HydrophobicContact SD-CZ3 3.61Å; M184-F198 HydrophobicContact CE-CB 3.85Å; M184-F198 HydrophobicContact CE-CD2 4.04Å; M184-F198 HydrophobicContact CE-CG 4.1Å; M184-F198 HydrophobicContact SD-CB 4.31Å; M184-F198 HydrophobicContact SD-CD2 4.17Å
185	Q	97.3	Very high	97.8	Very high	132 Å²	132	54.3 Å²	54.3	62%	0.617	30%	0.299	S	S	*	.	H	α-helix	trans	-66.7	-32	176.5	-68.4	-63.2	-33.5	0	0	112.8	H181 G182 R183 G187	H181-Q185 VanDerWaalsContact CE1-CG 3.46Å; H181-Q185 WeakPolarHBondContact CE1-CG 3.31Å; H181-Q185 PolarHBondContact NE2-NE2 2.91Å; H181-Q185 WeakPolarHBondContact O-CG 3.48Å; H181-Q185 PolarHBondContact O-N 3.38Å; G182-Q185 PolarHBondContact O-N 2.95Å; R183-Q185 VanDerWaalsContact C-N 3.35Å; R183-Q185 PolarHBondContact O-N 2.94Å; Q185-G187 PolarHBondContact O-N 3.19Å
186	A	97.8	Very high	97.8	Very high	67 Å²	67	58.7 Å²	58.7	55%	0.554	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	3.3	174.5	0	0	0	0	0	113.5	G182 R183 M184 Q188	G182-A186 WeakPolarHBondContact O-CB 3.26Å; G182-A186 PolarHBondContact O-N 2.93Å; R183-A186 CarbonylContact O-C 3.54Å; R183-A186 PolarHBondContact O-N 2.98Å; R183-A186 VanDerWaalsContact O-N 3.13Å; M184-A186 VanDerWaalsContact C-N 3.31Å; M184-A186 PolarHBondContact O-N 3.31Å; A186-Q188 HydrophobicContact CB-CG 4.06Å; A186-Q188 PolarHBondContact O-N 2.86Å
187	G	97.2	Very high	97.8	Very high	71 Å²	71	56.2 Å²	56.2	73%	0.732	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	19.5	-177.2	0	0	0	0	0	113.6	R183 M184 Q185	R183-G187 PolarHBondContact O-N 2.59Å; M184-G187 PolarHBondContact O-N 3.06Å; M184-G187 VanDerWaalsContact O-N 3.12Å; Q185-G187 PolarHBondContact O-N 3.19Å
188	Q	98.1	Very high	97.8	Very high	107 Å²	107	56.9 Å²	56.9	50%	0.5	31%	0.313	S	S	.	.			trans	-82.4	159.6	176	-61	-179.7	-7.4	0	0	110.7	R183 A186 V190	R183-Q188 HydrophobicContact CB-CB 4.15Å; R183-Q188 WeakPolarHBondContact O-CB 3.3Å; R183-Q188 PolarHBondContact O-N 3.14Å; A186-Q188 HydrophobicContact CB-CG 4.06Å; A186-Q188 PolarHBondContact O-N 2.86Å; Q188-V190 PolarHBondContact O-N 3.2Å
189	D	96.7	Very high	97.8	Very high	139 Å²	139	59.7 Å²	59.7	74%	0.743	34%	0.337	S	S	*	.			trans	-65.3	134	176.4	-167	30.6	0	0	0	111	R183	R183-D189 PolarHBondContact NH2-O 3.2Å
190	V	97.9	Very high	97.8	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	33%	0.325	C	S	.	.			trans	-142.4	151.3	179	-63.2	0	0	0	0	109.9	R183 M184 Q188 C194 W195	R183-V190 HydrophobicContact CB-CG1 3.65Å; M184-V190 HydrophobicContact CB-CG1 4.19Å; M184-V190 HydrophobicContact CB-CG2 4.12Å; M184-V190 HydrophobicContact CG-CG2 4.16Å; Q188-V190 PolarHBondContact O-N 3.2Å; V190-C194 HydrophobicContact CB-CB 4.18Å; V190-C194 HydrophobicContact CG2-CB 4.11Å; V190-W195 HydrophobicContact CG2-CD2 4.39Å; V190-W195 HydrophobicContact CG2-CZ2 4.01Å; V190-W195 VanDerWaalsContact CG2-NE1 3.28Å
191	P	97.5	Very high	97.8	Very high	18 Å²	18	65.2 Å²	65.2	12%	0.117	37%	0.366	C	S	.	.			trans	-60.4	150.5	-179.4	-22.9	35	0	0	0	112.3	F193 C194 Y233	P191-F193 VanDerWaalsContact C-N 3.25Å; P191-F193 HydrophobicContact CB-CD1 3.53Å; P191-F193 HydrophobicContact CB-CE1 3.48Å; P191-F193 VanDerWaalsContact CB-CE1 3.48Å; P191-F193 HydrophobicContact CG-CD1 4.38Å; P191-F193 HydrophobicContact CG-CE1 3.84Å; P191-F193 PolarHBondContact O-N 2.97Å; P191-C194 WeakPolarHBondContact O-CB 3.39Å; P191-C194 PolarHBondContact O-N 3.29Å; P191-Y233 HydrophobicContact CB-CE2 4.35Å; P191-Y233 HydrophobicContact CG-CE1 3.58Å; P191-Y233 HydrophobicContact CG-CE2 4.18Å; P191-Y233 WeakPolarHBondContact CG-OH 3.19Å
192	L	97.1	Very high	97.8	Very high	130 Å²	130	66.6 Å²	66.6	68%	0.681	38%	0.378	S	S	*	.	H	α-helix	trans	-55.1	-40.2	-177.6	178.9	61.2	0	0	0	112.7	C194 W195 L196	L192-C194 PolarHBondContact O-N 3.23Å; L192-W195 WeakPolarHBondContact O-CB 3.36Å; L192-W195 PolarHBondContact O-N 2.71Å; L192-W195 VanDerWaalsContact O-N 3.13Å; L192-L196 HydrophobicContact CG-CD1 4.35Å; L192-L196 PolarHBondContact O-N 3.41Å
193	F	97.8	Very high	97.8	Very high	8 Å²	8	64.8 Å²	64.8	4%	0.035	36%	0.359	C	S	.	.	H	α-helix	trans	-61.3	-26.9	179.5	86.3	-90.1	0	0	0	112.5	L180 P191 L196 L197 V226 F229 L230 Y233	L180-F193 HydrophobicContact CD1-CE1 4.42Å; L180-F193 HydrophobicContact CD1-CE2 4.3Å; L180-F193 HydrophobicContact CD1-CZ 3.63Å; P191-F193 VanDerWaalsContact C-N 3.25Å; P191-F193 HydrophobicContact CB-CD1 3.53Å; P191-F193 HydrophobicContact CB-CE1 3.48Å; P191-F193 VanDerWaalsContact CB-CE1 3.48Å; P191-F193 HydrophobicContact CG-CD1 4.38Å; P191-F193 HydrophobicContact CG-CE1 3.84Å; P191-F193 PolarHBondContact O-N 2.97Å; F193-L196 PolarHBondContact O-N 3.11Å; F193-L197 VanDerWaalsContact O-CB 3.28Å; F193-L197 WeakPolarHBondContact O-CB 3.43Å; F193-L197 PolarHBondContact O-N 2.89Å; F193-V226 HydrophobicContact CB-CG2 4.46Å; F193-F229 HydrophobicContact CB-CB 3.76Å; F193-F229 HydrophobicContact CB-CD1 4.05Å; F193-F229 HydrophobicContact CB-CD2 4.24Å; F193-F229 HydrophobicContact CB-CG 3.78Å; F193-F229 HydrophobicContact CD1-CB 3.83Å; F193-F229 HydrophobicContact CD1-CD1 4.31Å; F193-F229 HydrophobicContact CD1-CG 4.38Å; F193-F229 HydrophobicContact CD2-CB 3.54Å; F193-F229 HydrophobicContact CD2-CG 4.47Å; F193-F229 HydrophobicContact CE1-CB 4.35Å; F193-F229 HydrophobicContact CE2-CB 4.09Å; F193-F229 HydrophobicContact CG-CB 3.39Å; F193-F229 HydrophobicContact CG-CD1 4.28Å; F193-F229 AromaticContact CG-CG 3.95Å; F193-F229 HydrophobicContact CG-CG 3.95Å; F193-F229 HydrophobicContact CZ-CB 4.46Å; F193-L230 HydrophobicContact CE2-CB 4.01Å; F193-L230 HydrophobicContact CE2-CD1 4.26Å; F193-Y233 HydrophobicContact CD1-CD2 4.22Å; F193-Y233 HydrophobicContact CD1-CE2 4.04Å; F193-Y233 HydrophobicContact CE1-CD1 4.29Å; F193-Y233 AromaticContact CE1-CD2 3.28Å; F193-Y233 HydrophobicContact CE1-CD2 3.28Å; F193-Y233 HydrophobicContact CE1-CE1 4.32Å; F193-Y233 AromaticContact CE1-CE2 3.32Å; F193-Y233 HydrophobicContact CE1-CE2 3.32Å; F193-Y233 AromaticContact CE1-CG 3.8Å; F193-Y233 HydrophobicContact CE1-CG 3.8Å; F193-Y233 AromaticContact CE1-CZ 3.88Å; F193-Y233 HydrophobicContact CZ-CD1 4.38Å; F193-Y233 AromaticContact CZ-CD2 3.67Å; F193-Y233 HydrophobicContact CZ-CD2 3.67Å; F193-Y233 HydrophobicContact CZ-CE2 4.17Å; F193-Y233 AromaticContact CZ-CG 3.8Å; F193-Y233 HydrophobicContact CZ-CG 3.8Å
194	C	98.1	Very high	97.8	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.007	37%	0.365	C	S	.	.	H	α-helix	trans	-63.6	-46.3	176.4	-179.6	0	0	0	0	110.5	L180 V190 P191 L192 L196 L197 F198	L180-C194 HydrophobicContact CB-CB 4.48Å; V190-C194 HydrophobicContact CB-CB 4.18Å; V190-C194 HydrophobicContact CG2-CB 4.11Å; P191-C194 WeakPolarHBondContact O-CB 3.39Å; P191-C194 PolarHBondContact O-N 3.29Å; L192-C194 PolarHBondContact O-N 3.23Å; C194-L196 VanDerWaalsContact C-N 3.32Å; C194-L196 PolarHBondContact O-N 2.98Å; C194-L197 PolarHBondContact O-N 2.84Å; C194-F198 VanDerWaalsContact O-CD2 3.23Å; C194-F198 WeakPolarHBondContact O-CD2 3.44Å; C194-F198 PolarHBondContact O-N 3.4Å; C194-F198 VanDerWaalsContact O-N 3.11Å
195	W	97.7	Very high	97.7	Very high	129 Å²	129	65.4 Å²	65.4	49%	0.489	37%	0.374	S	S	.	.	H	α-helix	trans	-60	-43.9	174.1	-66.3	106.7	0	0	0	111.5	M184 V190 L192 L197 F198 A199	M184-W195 HydrophobicContact CG-CD2 4.11Å; M184-W195 HydrophobicContact CG-CE3 3.74Å; M184-W195 HydrophobicContact CG-CH2 3.31Å; M184-W195 HydrophobicContact CG-CZ2 3.7Å; M184-W195 HydrophobicContact CG-CZ3 3.33Å; M184-W195 HydrophobicContact SD-CD2 3.98Å; M184-W195 HydrophobicContact SD-CE3 3.47Å; M184-W195 HydrophobicContact SD-CH2 4.21Å; M184-W195 HydrophobicContact SD-CZ3 3.61Å; V190-W195 HydrophobicContact CG2-CD2 4.39Å; V190-W195 HydrophobicContact CG2-CZ2 4.01Å; V190-W195 VanDerWaalsContact CG2-NE1 3.28Å; L192-W195 WeakPolarHBondContact O-CB 3.36Å; L192-W195 PolarHBondContact O-N 2.71Å; L192-W195 VanDerWaalsContact O-N 3.13Å; W195-L197 PolarHBondContact O-N 2.96Å; W195-F198 PolarHBondContact O-N 3.1Å; W195-A199 WeakPolarHBondContact O-CB 3.45Å; W195-A199 PolarHBondContact O-N 2.91Å
196	L	98	Very high	97.7	Very high	102 Å²	102	59.2 Å²	59.2	53%	0.534	35%	0.346	S	S	.	.	H	α-helix	trans	-65.2	-39.2	178.3	-61.6	177.5	0	0	0	112.4	L192 F193 C194 V226	L192-L196 HydrophobicContact CG-CD1 4.35Å; L192-L196 PolarHBondContact O-N 3.41Å; F193-L196 PolarHBondContact O-N 3.11Å; C194-L196 VanDerWaalsContact C-N 3.32Å; C194-L196 PolarHBondContact O-N 2.98Å; L196-V226 HydrophobicContact CB-CG2 4.18Å
197	L	98.6	Very high	97.7	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-46.8	178.6	-173	74.9	0	0	0	110.8	A177 F193 C194 W195 R200 S203 F209 V226 E227 L230	A177-L197 HydrophobicContact CB-CD2 4.49Å; F193-L197 VanDerWaalsContact O-CB 3.28Å; F193-L197 WeakPolarHBondContact O-CB 3.43Å; F193-L197 PolarHBondContact O-N 2.89Å; C194-L197 PolarHBondContact O-N 2.84Å; W195-L197 PolarHBondContact O-N 2.96Å; L197-R200 PolarHBondContact O-NE 2.95Å; L197-S203 WeakPolarHBondContact O-CB 3.45Å; L197-S203 PolarHBondContact O-OG 3.19Å; L197-F209 HydrophobicContact CD1-CD2 4.35Å; L197-F209 HydrophobicContact CD1-CE2 4.16Å; L197-V226 HydrophobicContact CB-CG2 4.07Å; L197-V226 HydrophobicContact CD1-CG1 3.92Å; L197-V226 HydrophobicContact CD1-CG2 4.13Å; L197-E227 HydrophobicContact CD1-CG 4.12Å; L197-L230 HydrophobicContact CD2-CD2 4.09Å
198	F	98.5	Very high	97.7	Very high	14 Å²	14	57.9 Å²	57.9	6%	0.061	31%	0.306	C	S	.	.	H	α-helix	trans	-90.2	-8.4	-176.4	-64.1	-67	0	0	0	114.8	A177 H181 M184 C194 W195 R200 S203 V204 P206	A177-F198 HydrophobicContact CB-CZ 4.07Å; A177-F198 WeakPolarHBondContact O-CZ 3.48Å; H181-F198 HydrophobicContact CB-CD2 4.3Å; H181-F198 HydrophobicContact CB-CE1 4.22Å; H181-F198 HydrophobicContact CB-CE2 3.68Å; H181-F198 HydrophobicContact CB-CZ 3.66Å; H181-F198 AromaticContact CD2-CD1 3.74Å; H181-F198 AromaticContact CD2-CD2 3.99Å; H181-F198 AromaticContact CD2-CE1 3.96Å; H181-F198 AromaticContact CD2-CG 3.81Å; M184-F198 HydrophobicContact CE-CB 3.85Å; M184-F198 HydrophobicContact CE-CD2 4.04Å; M184-F198 HydrophobicContact CE-CG 4.1Å; M184-F198 HydrophobicContact SD-CB 4.31Å; M184-F198 HydrophobicContact SD-CD2 4.17Å; C194-F198 VanDerWaalsContact O-CD2 3.23Å; C194-F198 WeakPolarHBondContact O-CD2 3.44Å; C194-F198 PolarHBondContact O-N 3.4Å; C194-F198 VanDerWaalsContact O-N 3.11Å; W195-F198 PolarHBondContact O-N 3.1Å; F198-R200 VanDerWaalsContact C-N 3.28Å; F198-S203 WeakPolarHBondContact CA-O 3.41Å; F198-S203 WeakPolarHBondContact CD1-O 3.22Å; F198-V204 WeakPolarHBondContact O-CA 3.29Å; F198-P206 HydrophobicContact CE1-CG 4.25Å; F198-P206 HydrophobicContact CZ-CG 4.33Å
199	A	97.6	Very high	97.6	Very high	75 Å²	75	52.8 Å²	52.8	62%	0.62	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.9	171	0	0	0	0	0	113.3	W195	W195-A199 WeakPolarHBondContact O-CB 3.45Å; W195-A199 PolarHBondContact O-N 2.91Å
200	R	98.2	Very high	97.6	Very high	43 Å²	43	46.3 Å²	46.3	16%	0.162	25%	0.248	C	C	.	.	S	Bend	trans	-71.6	132.2	177	-58.3	179.9	-66.6	170	6.5	110	L197 F198 S202 S203 V204 H213 E224 E227	L197-R200 PolarHBondContact O-NE 2.95Å; F198-R200 VanDerWaalsContact C-N 3.28Å; R200-S202 PolarHBondContact O-N 2.73Å; R200-S203 PolarHBondContact NH2-OG 2.88Å; R200-S203 VanDerWaalsContact NH2-OG 3.14Å; R200-S203 CarbonylContact O-C 3.48Å; R200-S203 PolarHBondContact O-N 3.19Å; R200-V204 WeakPolarHBondContact O-CG1 3.42Å; R200-V204 PolarHBondContact O-N 2.96Å; R200-H213 PolarHBondContact NH1-CE1 3.26Å; R200-H213 PolarHBondContact NH1-ND1 2.79Å; R200-E224 IonicContact CZ-OE2 2.67Å; R200-E224 IonicContact NH1-OE2 3.49Å; R200-E224 PolarHBondContact NH1-OE2 3.07Å; R200-E227 IonicContact CZ-OE1 3.78Å; R200-E227 IonicContact NH1-OE1 3.57Å; R200-E227 PolarHBondContact NH1-OE1 3.06Å; R200-E227 VanDerWaalsContact NH1-OE1 3.1Å; R200-E227 IonicContact NH2-OE1 3.14Å; R200-E227 PolarHBondContact NH2-OE1 3.37Å
201	D	97.4	Very high	97.5	Very high	160 Å²	160	47.4 Å²	47.4	86%	0.856	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-33.6	177.6	-64.6	-23.7	0	0	0	113.3
202	S	97.8	Very high	97.4	Very high	51 Å²	51	50.2 Å²	50.2	36%	0.357	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.2	179.5	57.4	0	0	0	0	114.1	R200 N212 H213	R200-S202 PolarHBondContact O-N 2.73Å; S202-N212 WeakPolarHBondContact O-CB 3.46Å; S202-N212 PolarHBondContact O-ND2 2.83Å; S202-H213 WeakPolarHBondContact CB-NE2 3.37Å; S202-H213 PolarHBondContact O-CD2 2.97Å; S202-H213 PolarHBondContact O-NE2 3.43Å; S202-H213 PolarHBondContact OG-CE1 3.43Å; S202-H213 VanDerWaalsContact OG-CE1 3.26Å; S202-H213 PolarHBondContact OG-NE2 3.47Å
203	S	98.2	Very high	97.4	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.			trans	-142.9	29.6	-173.2	-171.3	0	0	0	0	112.7	L197 F198 R200 C205 S208 F209	L197-S203 WeakPolarHBondContact O-CB 3.45Å; L197-S203 PolarHBondContact O-OG 3.19Å; F198-S203 WeakPolarHBondContact CA-O 3.41Å; F198-S203 WeakPolarHBondContact CD1-O 3.22Å; R200-S203 PolarHBondContact NH2-OG 2.88Å; R200-S203 VanDerWaalsContact NH2-OG 3.14Å; R200-S203 CarbonylContact O-C 3.48Å; R200-S203 PolarHBondContact O-N 3.19Å; S203-C205 PolarHBondContact O-N 3.43Å; S203-C205 VanDerWaalsContact O-N 3.11Å; S203-S208 WeakPolarHBondContact CA-OG 3.49Å; S203-F209 WeakPolarHBondContact OG-CB 3.35Å
204	V	97.8	Very high	97.4	Very high	78 Å²	78	44.6 Å²	44.6	47%	0.473	24%	0.24	S	C	.	.	S	Bend	trans	-60.3	-19.6	-175.4	-62.1	0	0	0	0	116.1	F198 R200 S208	F198-V204 WeakPolarHBondContact O-CA 3.29Å; R200-V204 WeakPolarHBondContact O-CG1 3.42Å; R200-V204 PolarHBondContact O-N 2.96Å; V204-S208 PolarHBondContact N-OG 3.02Å
205	C	97.1	Very high	97.1	Very high	39 Å²	39	48.4 Å²	48.4	26%	0.264	25%	0.254	S	S	.	.	S	Bend	trans	-151.1	166.4	176.5	71.3	0	0	0	0	111.1	S203 R207 S208 F209	S203-C205 PolarHBondContact O-N 3.43Å; S203-C205 VanDerWaalsContact O-N 3.11Å; C205-R207 PolarHBondContact O-N 2.98Å; C205-R207 VanDerWaalsContact O-N 3.12Å; C205-S208 PolarHBondContact N-OG 2.91Å; C205-S208 PolarHBondContact O-N 3.22Å; C205-S208 PolarHBondContact O-OG 2.87Å; C205-F209 PolarHBondContact O-N 3.4Å
206	P	97.5	Very high	97	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.013	24%	0.244	C	C	.	.	H	α-helix	trans	-54.1	-35.1	-178.7	-28.1	35.5	0	0	0	114	L102 A178 H181 F198 F209 L210	L102-P206 HydrophobicContact CD1-CB 4.3Å; A178-P206 HydrophobicContact CB-CB 4.22Å; A178-P206 HydrophobicContact CB-CG 4.15Å; H181-P206 HydrophobicContact CB-CG 3.74Å; F198-P206 HydrophobicContact CE1-CG 4.25Å; F198-P206 HydrophobicContact CZ-CG 4.33Å; P206-F209 PolarHBondContact O-N 3.47Å; P206-L210 WeakPolarHBondContact O-CB 3.36Å; P206-L210 PolarHBondContact O-N 3.26Å
207	R	96.3	Very high	96.9	Very high	94 Å²	94	40.3 Å²	40.3	36%	0.355	22%	0.219	S	C	.	.	H	α-helix	trans	-62.3	-49.8	175.1	-172.3	-175.5	-60.8	-87	2.3	112.1	E100 L102 Q105 C205 L210 S211	E100-R207 VanDerWaalsContact O-CZ 3.25Å; E100-R207 PolarHBondContact O-NH1 2.91Å; E100-R207 PolarHBondContact O-NH2 3.25Å; L102-R207 VanDerWaalsContact CD2-CA 3.5Å; L102-R207 HydrophobicContact CD2-CB 3.79Å; L102-R207 HydrophobicContact CD2-CG 4.15Å; Q105-R207 VanDerWaalsContact NE2-NH1 3.11Å; C205-R207 PolarHBondContact O-N 2.98Å; C205-R207 VanDerWaalsContact O-N 3.12Å; R207-L210 PolarHBondContact O-N 2.96Å; R207-S211 WeakPolarHBondContact O-CB 3.22Å; R207-S211 PolarHBondContact O-N 3.45Å; R207-S211 PolarHBondContact O-OG 3.3Å
208	S	96.9	Very high	96.6	Very high	15 Å²	15	41 Å²	41	11%	0.105	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-36	177.9	61.7	0	0	0	0	112.5	S203 V204 C205 S211 N212	S203-S208 WeakPolarHBondContact CA-OG 3.49Å; V204-S208 PolarHBondContact N-OG 3.02Å; C205-S208 PolarHBondContact N-OG 2.91Å; C205-S208 PolarHBondContact O-N 3.22Å; C205-S208 PolarHBondContact O-OG 2.87Å; S208-S211 WeakPolarHBondContact CA-OG 3.24Å; S208-S211 PolarHBondContact O-N 3.22Å; S208-S211 PolarHBondContact O-OG 2.88Å; S208-N212 VanDerWaalsContact O-CB 3.25Å; S208-N212 WeakPolarHBondContact O-CB 3.27Å; S208-N212 PolarHBondContact O-N 3.14Å; S208-N212 PolarHBondContact O-ND2 3.36Å
209	F	97.9	Very high	96.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.7	-49.1	172.5	174	-119.2	0	0	0	111.1	L174 A177 L197 S203 C205 P206 H213 L214 E227 L230	L174-F209 HydrophobicContact CD1-CD1 4.27Å; A177-F209 HydrophobicContact CB-CD1 4.06Å; A177-F209 HydrophobicContact CB-CE1 4.21Å; L197-F209 HydrophobicContact CD1-CD2 4.35Å; L197-F209 HydrophobicContact CD1-CE2 4.16Å; S203-F209 WeakPolarHBondContact OG-CB 3.35Å; C205-F209 PolarHBondContact O-N 3.4Å; P206-F209 PolarHBondContact O-N 3.47Å; F209-H213 HydrophobicContact CD2-CB 3.86Å; F209-H213 HydrophobicContact CE2-CB 3.9Å; F209-H213 WeakPolarHBondContact O-CA 3.41Å; F209-H213 WeakPolarHBondContact O-CB 3.47Å; F209-H213 PolarHBondContact O-N 3.31Å; F209-L214 HydrophobicContact CD1-CB 4.47Å; F209-L214 HydrophobicContact CE1-CB 4.01Å; F209-L214 HydrophobicContact CE1-CD1 4.36Å; F209-L214 HydrophobicContact CE1-CD2 4.03Å; F209-L214 HydrophobicContact CE1-CG 4.37Å; F209-L214 HydrophobicContact CZ-CB 4.03Å; F209-L214 HydrophobicContact CZ-CD1 4.16Å; F209-L214 PolarHBondContact O-N 2.82Å; F209-E227 HydrophobicContact CE2-CG 4Å; F209-E227 HydrophobicContact CZ-CG 4.45Å; F209-L230 HydrophobicContact CE1-CD2 3.58Å; F209-L230 HydrophobicContact CE2-CD2 4.5Å; F209-L230 HydrophobicContact CZ-CD2 3.53Å
210	L	96.4	Very high	96.1	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-51.2	174.9	175.8	60.4	0	0	0	111.6	L102 W106 L174 P206 R207 N212 L214 R215	L102-L210 HydrophobicContact CB-CD2 4.06Å; L102-L210 HydrophobicContact CD2-CD2 4.35Å; L102-L210 WeakPolarHBondContact O-CD2 3.43Å; W106-L210 HydrophobicContact CE3-CD1 4.16Å; W106-L210 HydrophobicContact CZ3-CD1 4.16Å; L174-L210 HydrophobicContact CD1-CB 4.01Å; L174-L210 HydrophobicContact CD2-CD1 4.26Å; L174-L210 HydrophobicContact CD2-CD2 3.98Å; L174-L210 HydrophobicContact CD2-CG 4.5Å; P206-L210 WeakPolarHBondContact O-CB 3.36Å; P206-L210 PolarHBondContact O-N 3.26Å; R207-L210 PolarHBondContact O-N 2.96Å; L210-N212 VanDerWaalsContact C-N 3.33Å; L210-N212 PolarHBondContact O-N 3.21Å; L210-L214 HydrophobicContact CD1-CB 4.35Å; L210-L214 HydrophobicContact CD1-CD2 4.24Å; L210-R215 VanDerWaalsContact O-CB 3.26Å; L210-R215 WeakPolarHBondContact O-CB 3.37Å; L210-R215 WeakPolarHBondContact O-CG 3.28Å; L210-R215 PolarHBondContact O-N 3.1Å
211	S	94.4	Very high	95.9	Very high	31 Å²	31	43.6 Å²	43.6	22%	0.217	25%	0.246	C	C	.	.	H	α-helix	trans	-72.1	-24.4	-169.9	72.8	0	0	0	0	114.4	R207 S208 R215	R207-S211 WeakPolarHBondContact O-CB 3.22Å; R207-S211 PolarHBondContact O-N 3.45Å; R207-S211 PolarHBondContact O-OG 3.3Å; S208-S211 WeakPolarHBondContact CA-OG 3.24Å; S208-S211 PolarHBondContact O-N 3.22Å; S208-S211 PolarHBondContact O-OG 2.88Å; S211-R215 VanDerWaalsContact C-CD 3.49Å; S211-R215 WeakPolarHBondContact O-CD 3.35Å
212	N	96.4	Very high	95.9	Very high	77 Å²	77	37.6 Å²	37.6	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-117.3	-17	-171.3	-55.7	-26.2	0	0	0	113.3	S202 S208 L210 H216	S202-N212 WeakPolarHBondContact O-CB 3.46Å; S202-N212 PolarHBondContact O-ND2 2.83Å; S208-N212 VanDerWaalsContact O-CB 3.25Å; S208-N212 WeakPolarHBondContact O-CB 3.27Å; S208-N212 PolarHBondContact O-N 3.14Å; S208-N212 PolarHBondContact O-ND2 3.36Å; L210-N212 VanDerWaalsContact C-N 3.33Å; L210-N212 PolarHBondContact O-N 3.21Å; N212-H216 PolarHBondContact O-CD2 2.83Å
213	H	97.1	Very high	95.9	Very high	21 Å²	21	35.8 Å²	35.8	10%	0.097	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.8	-71.1	-176.7	-59.3	-89.4	0	0	0	111.4	R200 S202 F209 R215 H216 E227	R200-H213 PolarHBondContact NH1-CE1 3.26Å; R200-H213 PolarHBondContact NH1-ND1 2.79Å; S202-H213 WeakPolarHBondContact CB-NE2 3.37Å; S202-H213 PolarHBondContact O-CD2 2.97Å; S202-H213 PolarHBondContact O-NE2 3.43Å; S202-H213 PolarHBondContact OG-CE1 3.43Å; S202-H213 VanDerWaalsContact OG-CE1 3.26Å; S202-H213 PolarHBondContact OG-NE2 3.47Å; F209-H213 HydrophobicContact CD2-CB 3.86Å; F209-H213 HydrophobicContact CE2-CB 3.9Å; F209-H213 WeakPolarHBondContact O-CA 3.41Å; F209-H213 WeakPolarHBondContact O-CB 3.47Å; F209-H213 PolarHBondContact O-N 3.31Å; H213-R215 VanDerWaalsContact C-N 3.3Å; H213-R215 PolarHBondContact O-N 3.47Å; H213-R215 VanDerWaalsContact O-N 3.16Å; H213-H216 WeakPolarHBondContact O-CB 3.49Å; H213-H216 PolarHBondContact O-N 3.29Å; H213-E227 WeakPolarHBondContact CB-OE1 3.46Å; H213-E227 IonicContact CG-OE1 3.7Å; H213-E227 IonicContact ND1-OE1 3.87Å
214	L	96.9	Very high	95.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.3	-35.4	-168.2	-169.4	68.1	0	0	0	113.1	W106 K170 M173 L174 F209 L210 H216 V217	W106-L214 HydrophobicContact CH2-CD2 4.47Å; K170-L214 HydrophobicContact CB-CD1 4.01Å; K170-L214 HydrophobicContact CB-CD2 4.27Å; K170-L214 HydrophobicContact CB-CG 4.15Å; K170-L214 WeakPolarHBondContact CE-O 3.23Å; K170-L214 HydrophobicContact CG-CD1 3.89Å; K170-L214 HydrophobicContact CG-CG 4.34Å; K170-L214 WeakPolarHBondContact O-CD2 3.43Å; M173-L214 HydrophobicContact CB-CD1 4.44Å; M173-L214 HydrophobicContact CE-CD1 4.38Å; M173-L214 HydrophobicContact SD-CD1 4.39Å; L174-L214 HydrophobicContact CB-CD2 3.76Å; L174-L214 HydrophobicContact CD1-CD2 4.46Å; F209-L214 HydrophobicContact CD1-CB 4.47Å; F209-L214 HydrophobicContact CE1-CB 4.01Å; F209-L214 HydrophobicContact CE1-CD1 4.36Å; F209-L214 HydrophobicContact CE1-CD2 4.03Å; F209-L214 HydrophobicContact CE1-CG 4.37Å; F209-L214 HydrophobicContact CZ-CB 4.03Å; F209-L214 HydrophobicContact CZ-CD1 4.16Å; F209-L214 PolarHBondContact O-N 2.82Å; L210-L214 HydrophobicContact CD1-CB 4.35Å; L210-L214 HydrophobicContact CD1-CD2 4.24Å; L214-H216 PolarHBondContact O-N 2.96Å; L214-V217 HydrophobicContact CD1-CG2 4.36Å; L214-V217 WeakPolarHBondContact O-CB 3.42Å; L214-V217 PolarHBondContact O-N 3.3Å
215	R	93.4	Very high	95.6	Very high	80 Å²	80	40.3 Å²	40.3	30%	0.302	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-62.5	-25.3	175.9	75.3	179.7	-59.4	-175.8	6	113.6	L210 S211 H213 L219	L210-R215 VanDerWaalsContact O-CB 3.26Å; L210-R215 WeakPolarHBondContact O-CB 3.37Å; L210-R215 WeakPolarHBondContact O-CG 3.28Å; L210-R215 PolarHBondContact O-N 3.1Å; S211-R215 VanDerWaalsContact C-CD 3.49Å; S211-R215 WeakPolarHBondContact O-CD 3.35Å; H213-R215 VanDerWaalsContact C-N 3.3Å; H213-R215 PolarHBondContact O-N 3.47Å; H213-R215 VanDerWaalsContact O-N 3.16Å; R215-L219 WeakPolarHBondContact O-CD1 3.24Å
216	H	94.6	Very high	95.6	Very high	60 Å²	60	39.6 Å²	39.6	28%	0.278	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-86	-17.8	-177	-65.3	-75.2	0	0	0	111.9	N212 H213 L214 G218 L219 S220 A221	N212-H216 PolarHBondContact O-CD2 2.83Å; H213-H216 WeakPolarHBondContact O-CB 3.49Å; H213-H216 PolarHBondContact O-N 3.29Å; L214-H216 PolarHBondContact O-N 2.96Å; H216-G218 PolarHBondContact O-N 3.03Å; H216-L219 PolarHBondContact O-N 3.22Å; H216-S220 PolarHBondContact ND1-OG 3.31Å; H216-S220 PolarHBondContact O-N 3.46Å; H216-A221 HydrophobicContact CB-CB 4.09Å; H216-A221 PolarHBondContact O-N 2.88Å; H216-A221 VanDerWaalsContact O-O 3.11Å
217	V	96.3	Very high	95.7	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-59.7	120.3	174.4	-176.4	0	0	0	0	109.3	L66 K170 L214 L219 A221 L223	L66-V217 HydrophobicContact CD1-CG1 3.63Å; L66-V217 HydrophobicContact CG-CG1 4.42Å; K170-V217 HydrophobicContact CD-CB 4.28Å; K170-V217 HydrophobicContact CD-CG1 4.35Å; K170-V217 PolarHBondContact NZ-O 3.49Å; K170-V217 VanDerWaalsContact NZ-O 3.09Å; L214-V217 HydrophobicContact CD1-CG2 4.36Å; L214-V217 WeakPolarHBondContact O-CB 3.42Å; L214-V217 PolarHBondContact O-N 3.3Å; V217-L219 VanDerWaalsContact C-N 3.33Å; V217-A221 VanDerWaalsContact CA-O 3.24Å; V217-A221 WeakPolarHBondContact CA-O 3.46Å; V217-L223 HydrophobicContact CG1-CD2 4Å; V217-L223 HydrophobicContact CG1-CG 4.4Å; V217-L223 HydrophobicContact CG2-CD2 3.72Å
218	G	93	Very high	95.8	Very high	16 Å²	16	35.1 Å²	35.1	17%	0.165	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	-8.9	-175.3	0	0	0	0	0	116.2	N62 Y63 H216 A221	N62-G218 WeakPolarHBondContact O-CA 3.29Å; N62-G218 PolarHBondContact O-N 3.15Å; Y63-G218 VanDerWaalsContact CD2-CA 3.46Å; H216-G218 PolarHBondContact O-N 3.03Å; G218-A221 PolarHBondContact N-O 2.92Å
219	L	91.2	Very high	95.9	Very high	66 Å²	66	36 Å²	36	35%	0.346	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-69.7	179.1	-61.7	-177.8	0	0	0	111.2	N62 R215 H216 V217	N62-L219 VanDerWaalsContact ND2-C 3.28Å; N62-L219 PolarHBondContact ND2-O 3.33Å; R215-L219 WeakPolarHBondContact O-CD1 3.24Å; H216-L219 PolarHBondContact O-N 3.22Å; V217-L219 VanDerWaalsContact C-N 3.33Å
220	S	92.9	Very high	95.9	Very high	80 Å²	80	36 Å²	36	56%	0.559	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.4	-10	-173.3	58.4	0	0	0	0	113.9	N62 H216	N62-S220 VanDerWaalsContact ND2-C 3.34Å; N62-S220 WeakPolarHBondContact ND2-CA 3.35Å; N62-S220 PolarHBondContact ND2-N 2.94Å; H216-S220 PolarHBondContact ND1-OG 3.31Å; H216-S220 PolarHBondContact O-N 3.46Å
221	A	94.5	Very high	96.1	Very high	41 Å²	41	35.8 Å²	35.8	34%	0.339	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-144.7	156.1	179.4	0	0	0	0	0	111.4	N62 H216 V217 G218	N62-A221 VanDerWaalsContact CB-O 3.23Å; N62-A221 WeakPolarHBondContact CB-O 3.48Å; H216-A221 HydrophobicContact CB-CB 4.09Å; H216-A221 PolarHBondContact O-N 2.88Å; H216-A221 VanDerWaalsContact O-O 3.11Å; V217-A221 VanDerWaalsContact CA-O 3.24Å; V217-A221 WeakPolarHBondContact CA-O 3.46Å; G218-A221 PolarHBondContact N-O 2.92Å
222	G	96.4	Very high	96.3	Very high	33 Å²	33	34.3 Å²	34.3	34%	0.34	19%	0.192	S	C	.	.			trans	-91.6	-174.5	164.9	0	0	0	0	0	111.4
223	L	98	Very high	96.4	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.068	18%	0.176	C	C	.	.			trans	-69.9	138.8	171.8	-66.4	-177.2	0	0	0	111.3	A65 L66 M173 V217 E227 M228 L231	A65-L223 HydrophobicContact CB-CB 4.23Å; A65-L223 HydrophobicContact CB-CD1 4.05Å; A65-L223 HydrophobicContact CB-CG 4.31Å; L66-L223 HydrophobicContact CD2-CD1 3.73Å; L66-L223 HydrophobicContact CG-CD1 4.02Å; L66-L223 HydrophobicContact CG-CG 4.39Å; M173-L223 HydrophobicContact CE-CD1 4.21Å; M173-L223 HydrophobicContact CE-CD2 3.72Å; M173-L223 HydrophobicContact SD-CD1 4.46Å; M173-L223 HydrophobicContact SD-CD2 4.34Å; V217-L223 HydrophobicContact CG1-CD2 4Å; V217-L223 HydrophobicContact CG1-CG 4.4Å; V217-L223 HydrophobicContact CG2-CD2 3.72Å; L223-E227 HydrophobicContact CB-CB 4.31Å; L223-E227 HydrophobicContact CD2-CB 4.07Å; L223-M228 HydrophobicContact CB-SD 4.24Å; L223-M228 HydrophobicContact CD1-SD 3.9Å; L223-L231 HydrophobicContact CD1-CB 4.37Å; L223-L231 HydrophobicContact CD1-CD2 3.87Å
224	E	96.7	Very high	96.4	Very high	98 Å²	98	30.9 Å²	30.9	46%	0.458	17%	0.173	S	C	.	.			trans	-79.3	164.4	166.3	-63.7	-171.9	173.1	0	0	111.6	R200 V226 E227 M228	R200-E224 IonicContact CZ-OE2 2.67Å; R200-E224 IonicContact NH1-OE2 3.49Å; R200-E224 PolarHBondContact NH1-OE2 3.07Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3.29Å; E224-E227 HydrophobicContact CB-CG 4.29Å; E224-E227 PolarHBondContact N-OE2 3.12Å; E224-E227 WeakPolarHBondContact O-CA 3.26Å; E224-E227 WeakPolarHBondContact O-CB 3.37Å; E224-E227 PolarHBondContact O-N 3.1Å; E224-M228 PolarHBondContact O-N 3.46Å; E224-M228 VanDerWaalsContact O-N 3.16Å
225	Q	94.4	Very high	96.5	Very high	75 Å²	75	30.9 Å²	30.9	35%	0.35	17%	0.173	S	C	.	.	H	α-helix	trans	-58	-42.5	-177.7	-166.5	-177.4	16.6	0	0	112.7	E227 M228 F229 Y256	Q225-E227 PolarHBondContact O-N 3.14Å; Q225-M228 WeakPolarHBondContact O-CB 3.28Å; Q225-M228 PolarHBondContact O-N 3.1Å; Q225-F229 WeakPolarHBondContact O-CD2 3.48Å; Q225-Y256 HydrophobicContact CG-CE1 3.71Å; Q225-Y256 WeakPolarHBondContact CG-OH 3.47Å; Q225-Y256 PolarHBondContact NE2-OH 3.35Å
226	V	97.5	Very high	96.7	Very high	24 Å²	24	30.5 Å²	30.5	15%	0.145	18%	0.175	C	C	.	.	H	α-helix	trans	-63.9	-27.5	176.7	68.1	0	0	0	0	112.2	F193 L196 L197 E224 F229	F193-V226 HydrophobicContact CB-CG2 4.46Å; L196-V226 HydrophobicContact CB-CG2 4.18Å; L197-V226 HydrophobicContact CB-CG2 4.07Å; L197-V226 HydrophobicContact CD1-CG1 3.92Å; L197-V226 HydrophobicContact CD1-CG2 4.13Å; E224-V226 VanDerWaalsContact C-N 3.33Å; E224-V226 PolarHBondContact O-N 3.29Å; V226-F229 WeakPolarHBondContact O-CB 3.2Å; V226-F229 PolarHBondContact O-N 3.05Å
227	E	98.6	Very high	96.9	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.014	17%	0.165	C	C	.	.	H	α-helix	trans	-81.7	-19.2	-179.9	-60	166.1	175.8	0	0	111.9	M173 L197 R200 F209 H213 L223 E224 Q225 F229 L230 L231	M173-E227 HydrophobicContact CE-CB 4.24Å; M173-E227 WeakPolarHBondContact CE-O 3.35Å; L197-E227 HydrophobicContact CD1-CG 4.12Å; R200-E227 IonicContact CZ-OE1 3.78Å; R200-E227 IonicContact NH1-OE1 3.57Å; R200-E227 PolarHBondContact NH1-OE1 3.06Å; R200-E227 VanDerWaalsContact NH1-OE1 3.1Å; R200-E227 IonicContact NH2-OE1 3.14Å; R200-E227 PolarHBondContact NH2-OE1 3.37Å; F209-E227 HydrophobicContact CE2-CG 4Å; F209-E227 HydrophobicContact CZ-CG 4.45Å; H213-E227 WeakPolarHBondContact CB-OE1 3.46Å; H213-E227 IonicContact CG-OE1 3.7Å; H213-E227 IonicContact ND1-OE1 3.87Å; L223-E227 HydrophobicContact CB-CB 4.31Å; L223-E227 HydrophobicContact CD2-CB 4.07Å; E224-E227 HydrophobicContact CB-CG 4.29Å; E224-E227 PolarHBondContact N-OE2 3.12Å; E224-E227 WeakPolarHBondContact O-CA 3.26Å; E224-E227 WeakPolarHBondContact O-CB 3.37Å; E224-E227 PolarHBondContact O-N 3.1Å; Q225-E227 PolarHBondContact O-N 3.14Å; E227-F229 VanDerWaalsContact C-N 3.33Å; E227-L230 WeakPolarHBondContact O-CB 3.38Å; E227-L230 PolarHBondContact O-N 3.2Å; E227-L231 PolarHBondContact O-N 3.16Å
228	M	98.5	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-36.6	168.4	-66.4	-65.6	-68.3	0	0	111.7	A65 L223 E224 Q225 L230 L231 G232 I239 Y256 L269 Y277	A65-M228 HydrophobicContact CB-CE 4.49Å; A65-M228 HydrophobicContact CB-SD 3.77Å; L223-M228 HydrophobicContact CB-SD 4.24Å; L223-M228 HydrophobicContact CD1-SD 3.9Å; E224-M228 PolarHBondContact O-N 3.46Å; E224-M228 VanDerWaalsContact O-N 3.16Å; Q225-M228 WeakPolarHBondContact O-CB 3.28Å; Q225-M228 PolarHBondContact O-N 3.1Å; M228-L230 VanDerWaalsContact C-N 3.35Å; M228-L231 PolarHBondContact O-N 3.24Å; M228-L231 HydrophobicContact SD-CD2 4.41Å; M228-G232 PolarHBondContact O-N 3.4Å; M228-I239 HydrophobicContact CE-CD1 4.14Å; M228-I239 HydrophobicContact CE-CG2 4.04Å; M228-Y256 HydrophobicContact CB-CD1 3.88Å; M228-Y256 HydrophobicContact CB-CD2 4.02Å; M228-Y256 HydrophobicContact CB-CE1 4.32Å; M228-Y256 HydrophobicContact CB-CE2 4.44Å; M228-Y256 HydrophobicContact CB-CG 3.71Å; M228-L269 HydrophobicContact CE-CD1 4.3Å; M228-Y277 HydrophobicContact CE-CE1 4.13Å
229	F	98.7	Very high	97.2	Very high	33 Å²	33	27.6 Å²	27.6	15%	0.145	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-45.5	171.7	-70.5	-95	0	0	0	111	F193 Q225 V226 E227 L231 G232 Y233 Y256 P257	F193-F229 HydrophobicContact CB-CB 3.76Å; F193-F229 HydrophobicContact CB-CD1 4.05Å; F193-F229 HydrophobicContact CB-CD2 4.24Å; F193-F229 HydrophobicContact CB-CG 3.78Å; F193-F229 HydrophobicContact CD1-CB 3.83Å; F193-F229 HydrophobicContact CD1-CD1 4.31Å; F193-F229 HydrophobicContact CD1-CG 4.38Å; F193-F229 HydrophobicContact CD2-CB 3.54Å; F193-F229 HydrophobicContact CD2-CG 4.47Å; F193-F229 HydrophobicContact CE1-CB 4.35Å; F193-F229 HydrophobicContact CE2-CB 4.09Å; F193-F229 HydrophobicContact CG-CB 3.39Å; F193-F229 HydrophobicContact CG-CD1 4.28Å; F193-F229 AromaticContact CG-CG 3.95Å; F193-F229 HydrophobicContact CG-CG 3.95Å; F193-F229 HydrophobicContact CZ-CB 4.46Å; Q225-F229 WeakPolarHBondContact O-CD2 3.48Å; V226-F229 WeakPolarHBondContact O-CB 3.2Å; V226-F229 PolarHBondContact O-N 3.05Å; E227-F229 VanDerWaalsContact C-N 3.33Å; F229-L231 VanDerWaalsContact C-N 3.3Å; F229-L231 PolarHBondContact O-N 3.41Å; F229-G232 PolarHBondContact O-N 3.05Å; F229-Y233 PolarHBondContact O-N 3.21Å; F229-Y256 HydrophobicContact CD1-CD1 4.29Å; F229-Y256 AromaticContact CD2-CD1 3.54Å; F229-Y256 HydrophobicContact CD2-CD1 3.54Å; F229-Y256 HydrophobicContact CD2-CE1 4.04Å; F229-Y256 HydrophobicContact CE1-CD1 4.09Å; F229-Y256 AromaticContact CE2-CD1 3.34Å; F229-Y256 HydrophobicContact CE2-CD1 3.34Å; F229-Y256 AromaticContact CE2-CE1 3.49Å; F229-Y256 HydrophobicContact CE2-CE1 3.49Å; F229-Y256 VanDerWaalsContact CE2-CE1 3.49Å; F229-Y256 HydrophobicContact CG-CD1 4.01Å; F229-Y256 AromaticContact CZ-CD1 3.62Å; F229-Y256 HydrophobicContact CZ-CD1 3.62Å; F229-Y256 AromaticContact CZ-CE1 3.9Å; F229-Y256 HydrophobicContact CZ-CE1 3.9Å; F229-P257 HydrophobicContact CD1-CB 3.88Å
230	L	98.9	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.2	-39.2	176.9	-178	63.6	0	0	0	111.8	M173 R176 A177 F193 L197 F209 E227 M228 Y233 A234	M173-L230 HydrophobicContact CB-CD2 3.99Å; M173-L230 HydrophobicContact CB-CG 4.08Å; M173-L230 HydrophobicContact CE-CB 4.26Å; M173-L230 HydrophobicContact CE-CD2 4.06Å; M173-L230 HydrophobicContact CE-CG 4.2Å; M173-L230 HydrophobicContact CG-CG 4.37Å; R176-L230 HydrophobicContact CB-CD1 3.97Å; R176-L230 HydrophobicContact CG-CD1 3.9Å; A177-L230 HydrophobicContact CB-CD1 4.12Å; A177-L230 HydrophobicContact CB-CD2 3.99Å; F193-L230 HydrophobicContact CE2-CB 4.01Å; F193-L230 HydrophobicContact CE2-CD1 4.26Å; L197-L230 HydrophobicContact CD2-CD2 4.09Å; F209-L230 HydrophobicContact CE1-CD2 3.58Å; F209-L230 HydrophobicContact CE2-CD2 4.5Å; F209-L230 HydrophobicContact CZ-CD2 3.53Å; E227-L230 WeakPolarHBondContact O-CB 3.38Å; E227-L230 PolarHBondContact O-N 3.2Å; M228-L230 VanDerWaalsContact C-N 3.35Å; L230-Y233 PolarHBondContact O-N 2.94Å; L230-A234 VanDerWaalsContact O-CB 3.24Å; L230-A234 WeakPolarHBondContact O-CB 3.23Å; L230-A234 PolarHBondContact O-N 2.94Å
231	L	98.8	Very high	97.8	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-45.9	174.3	178.6	61.5	0	0	0	111.9	L66 T69 L169 M173 L223 E227 M228 F229 Y233 A234 L235 I239	L66-L231 HydrophobicContact CD2-CD1 3.62Å; L66-L231 HydrophobicContact CD2-CD2 3.9Å; L66-L231 HydrophobicContact CD2-CG 4.35Å; T69-L231 HydrophobicContact CG2-CD2 3.95Å; T69-L231 HydrophobicContact CG2-CG 4.36Å; L169-L231 HydrophobicContact CD2-CD1 4.17Å; L169-L231 HydrophobicContact CG-CD1 4.46Å; M173-L231 HydrophobicContact CE-CB 4.17Å; M173-L231 HydrophobicContact CG-CD1 4.25Å; M173-L231 HydrophobicContact SD-CB 4.09Å; M173-L231 HydrophobicContact SD-CD1 3.9Å; L223-L231 HydrophobicContact CD1-CB 4.37Å; L223-L231 HydrophobicContact CD1-CD2 3.87Å; E227-L231 PolarHBondContact O-N 3.16Å; M228-L231 PolarHBondContact O-N 3.24Å; M228-L231 HydrophobicContact SD-CD2 4.41Å; F229-L231 VanDerWaalsContact C-N 3.3Å; F229-L231 PolarHBondContact O-N 3.41Å; L231-Y233 PolarHBondContact O-N 3.44Å; L231-A234 PolarHBondContact O-N 3.49Å; L231-L235 HydrophobicContact CD1-CD1 3.74Å; L231-L235 HydrophobicContact CD1-CG 4.2Å; L231-L235 HydrophobicContact CG-CD1 4.18Å; L231-L235 PolarHBondContact O-N 2.98Å; L231-L235 VanDerWaalsContact O-N 3.07Å; L231-I239 HydrophobicContact CB-CD1 4.29Å; L231-I239 HydrophobicContact CD2-CD1 3.86Å; L231-I239 HydrophobicContact CG-CD1 3.94Å
232	G	98.6	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.2	-47.4	175.3	0	0	0	0	0	111.8	M228 F229 A234 L235 Q236 H237 W264	M228-G232 PolarHBondContact O-N 3.4Å; F229-G232 PolarHBondContact O-N 3.05Å; G232-A234 PolarHBondContact O-N 3.43Å; G232-L235 PolarHBondContact O-N 3.28Å; G232-Q236 WeakPolarHBondContact O-CA 3.42Å; G232-Q236 PolarHBondContact O-N 2.94Å; G232-H237 CarbonylContact C-O 3.43Å; G232-H237 WeakPolarHBondContact CA-O 3.38Å; G232-H237 PolarHBondContact O-N 2.64Å; G232-W264 WeakPolarHBondContact O-CZ3 3.37Å
233	Y	98.6	Very high	98	Very high	20 Å²	20	19.3 Å²	19.3	8%	0.078	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-36.2	175.4	-95.8	-97.9	0	0	0	114.2	R176 P191 F193 F229 L230 L231 L235 P257 D259 H260 W264	R176-Y233 PolarHBondContact NE-O 3.39Å; P191-Y233 HydrophobicContact CB-CE2 4.35Å; P191-Y233 HydrophobicContact CG-CE1 3.58Å; P191-Y233 HydrophobicContact CG-CE2 4.18Å; P191-Y233 WeakPolarHBondContact CG-OH 3.19Å; F193-Y233 HydrophobicContact CD1-CD2 4.22Å; F193-Y233 HydrophobicContact CD1-CE2 4.04Å; F193-Y233 HydrophobicContact CE1-CD1 4.29Å; F193-Y233 AromaticContact CE1-CD2 3.28Å; F193-Y233 HydrophobicContact CE1-CD2 3.28Å; F193-Y233 HydrophobicContact CE1-CE1 4.32Å; F193-Y233 AromaticContact CE1-CE2 3.32Å; F193-Y233 HydrophobicContact CE1-CE2 3.32Å; F193-Y233 AromaticContact CE1-CG 3.8Å; F193-Y233 HydrophobicContact CE1-CG 3.8Å; F193-Y233 AromaticContact CE1-CZ 3.88Å; F193-Y233 HydrophobicContact CZ-CD1 4.38Å; F193-Y233 AromaticContact CZ-CD2 3.67Å; F193-Y233 HydrophobicContact CZ-CD2 3.67Å; F193-Y233 HydrophobicContact CZ-CE2 4.17Å; F193-Y233 AromaticContact CZ-CG 3.8Å; F193-Y233 HydrophobicContact CZ-CG 3.8Å; F229-Y233 PolarHBondContact O-N 3.21Å; L230-Y233 PolarHBondContact O-N 2.94Å; L231-Y233 PolarHBondContact O-N 3.44Å; Y233-L235 VanDerWaalsContact C-N 3.32Å; Y233-P257 HydrophobicContact CD2-CB 3.76Å; Y233-P257 HydrophobicContact CD2-CG 3.72Å; Y233-P257 HydrophobicContact CE2-CB 3.39Å; Y233-P257 HydrophobicContact CE2-CG 3.49Å; Y233-P257 VanDerWaalsContact CE2-CG 3.49Å; Y233-D259 WeakPolarHBondContact CE2-OD1 3.15Å; Y233-D259 PolarHBondContact OH-OD1 3.08Å; Y233-D259 VanDerWaalsContact OH-OD1 3.13Å; Y233-D259 PolarHBondContact OH-OD2 3.47Å; Y233-H260 AromaticContact CZ-CD2 3.76Å; Y233-H260 AromaticContact CZ-NE2 3.97Å; Y233-H260 PolarHBondContact OH-NE2 3.24Å; Y233-W264 AromaticContact CD1-CH2 3.83Å; Y233-W264 HydrophobicContact CD1-CH2 3.83Å; Y233-W264 HydrophobicContact CD2-CH2 4.18Å; Y233-W264 HydrophobicContact CD2-CZ3 4.23Å; Y233-W264 HydrophobicContact CE1-CH2 4.06Å; Y233-W264 HydrophobicContact CE2-CH2 4.4Å; Y233-W264 AromaticContact CG-CH2 3.88Å; Y233-W264 HydrophobicContact CG-CH2 3.88Å; Y233-W264 HydrophobicContact CG-CZ3 4.24Å
234	A	98.5	Very high	97.9	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.041	9%	0.088	C	C	.	.	H	α-helix	trans	-67	-35.3	177.1	0	0	0	0	0	112	L172 M173 R176 L230 L231 G232	L172-A234 HydrophobicContact CB-CB 4.08Å; M173-A234 HydrophobicContact CG-CB 3.91Å; R176-A234 HydrophobicContact CB-CB 4.44Å; L230-A234 VanDerWaalsContact O-CB 3.24Å; L230-A234 WeakPolarHBondContact O-CB 3.23Å; L230-A234 PolarHBondContact O-N 2.94Å; L231-A234 PolarHBondContact O-N 3.49Å; G232-A234 PolarHBondContact O-N 3.43Å
235	L	98.1	Very high	97.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-94.9	-10.4	-178.4	-66.3	175	0	0	0	114	T69 V73 W83 W136 L169 L172 L231 G232 Y233 H237	T69-L235 HydrophobicContact CG2-CD1 3.82Å; V73-L235 HydrophobicContact CG2-CD1 4.49Å; W83-L235 HydrophobicContact CH2-CD2 4.27Å; W83-L235 HydrophobicContact CZ2-CD2 4.26Å; W83-L235 PolarHBondContact NE1-O 3.23Å; W136-L235 HydrophobicContact CH2-CD2 4.24Å; W136-L235 HydrophobicContact CZ3-CD2 4.1Å; L169-L235 HydrophobicContact CD1-CD2 4.4Å; L169-L235 HydrophobicContact CD2-CD1 4.38Å; L169-L235 HydrophobicContact CG-CD2 4.26Å; L172-L235 HydrophobicContact CD1-CD2 4.4Å; L231-L235 HydrophobicContact CD1-CD1 3.74Å; L231-L235 HydrophobicContact CD1-CG 4.2Å; L231-L235 HydrophobicContact CG-CD1 4.18Å; L231-L235 PolarHBondContact O-N 2.98Å; L231-L235 VanDerWaalsContact O-N 3.07Å; G232-L235 PolarHBondContact O-N 3.28Å; Y233-L235 VanDerWaalsContact C-N 3.32Å; L235-H237 VanDerWaalsContact C-N 3.27Å; L235-H237 HydrophobicContact CB-CB 4.24Å; L235-H237 PolarHBondContact O-N 3.3Å; L235-H237 PolarHBondContact O-ND1 3.45Å
236	Q	97.6	Very high	97.8	Very high	72 Å²	72	16.6 Å²	16.6	34%	0.336	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	47.9	-166.2	-60.1	-179.2	-6	0	0	111.5	W83 G232 W264	W83-Q236 VanDerWaalsContact CD1-OE1 3.27Å; G232-Q236 WeakPolarHBondContact O-CA 3.42Å; G232-Q236 PolarHBondContact O-N 2.94Å; Q236-W264 HydrophobicContact CB-CD2 4.22Å; Q236-W264 HydrophobicContact CB-CZ2 4.3Å; Q236-W264 HydrophobicContact CG-CH2 4.49Å; Q236-W264 HydrophobicContact CG-CZ2 4.18Å
237	H	98.2	Very high	97.6	Very high	15 Å²	15	15.9 Å²	15.9	7%	0.069	7%	0.071	C	C	.	.			trans	-131.2	144.5	178.3	-80	66	0	0	0	110.4	W136 G232 L235 P265	W136-H237 AromaticContact CZ2-CE1 3.86Å; G232-H237 CarbonylContact C-O 3.43Å; G232-H237 WeakPolarHBondContact CA-O 3.38Å; G232-H237 PolarHBondContact O-N 2.64Å; L235-H237 VanDerWaalsContact C-N 3.27Å; L235-H237 HydrophobicContact CB-CB 4.24Å; L235-H237 PolarHBondContact O-N 3.3Å; L235-H237 PolarHBondContact O-ND1 3.45Å; H237-P265 VanDerWaalsContact CA-O 3.32Å; H237-P265 WeakPolarHBondContact CA-O 3.32Å; H237-P265 PolarHBondContact CD2-O 2.88Å
238	T	98.5	Very high	97.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.7	170.5	-65.9	0	0	0	0	109.2	Q240 F255 H260 P265 S266 V267	T238-Q240 PolarHBondContact O-N 2.9Å; T238-F255 HydrophobicContact CG2-CB 4.17Å; T238-F255 HydrophobicContact CG2-CD1 3.82Å; T238-F255 HydrophobicContact CG2-CG 4.48Å; T238-H260 PolarHBondContact OG1-O 3.3Å; T238-P265 PolarHBondContact N-O 2.76Å; T238-S266 CarbonylContact O-C 3.58Å; T238-S266 WeakPolarHBondContact O-CA 3.43Å; T238-S266 PolarHBondContact O-OG 3.06Å; T238-V267 PolarHBondContact O-N 3.35Å
239	I	98.6	Very high	97.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	99.8	178.6	-48.7	169.2	0	0	0	107.7	T69 M228 L231 V241 Y256 V267 L269	T69-I239 HydrophobicContact CG2-CD1 3.79Å; T69-I239 HydrophobicContact CG2-CG1 4.11Å; M228-I239 HydrophobicContact CE-CD1 4.14Å; M228-I239 HydrophobicContact CE-CG2 4.04Å; L231-I239 HydrophobicContact CB-CD1 4.29Å; L231-I239 HydrophobicContact CD2-CD1 3.86Å; L231-I239 HydrophobicContact CG-CD1 3.94Å; I239-V241 HydrophobicContact CG2-CG2 3.83Å; I239-Y256 PolarHBondContact N-O 3.3Å; I239-Y256 PolarHBondContact O-N 2.88Å; I239-V267 HydrophobicContact CB-CG2 4.32Å; I239-V267 HydrophobicContact CG1-CG2 4.08Å; I239-V267 HydrophobicContact CG2-CG2 4.29Å; I239-L269 HydrophobicContact CG2-CD1 3.54Å; I239-L269 HydrophobicContact CG2-CG 3.93Å
240	Q	98.2	Very high	97	Very high	32 Å²	32	32.2 Å²	32.2	15%	0.15	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.4	172.6	-177.5	178.9	16.7	0	0	109.5	T238 Y242 V253 F255 V267 C268 L269	T238-Q240 PolarHBondContact O-N 2.9Å; Q240-Y242 HydrophobicContact CG-CE2 4.44Å; Q240-V253 HydrophobicContact CG-CG1 3.71Å; Q240-V253 VanDerWaalsContact NE2-CG1 3.33Å; Q240-F255 HydrophobicContact CB-CD1 3.95Å; Q240-F255 HydrophobicContact CB-CE1 3.88Å; Q240-F255 HydrophobicContact CG-CD1 4.04Å; Q240-F255 HydrophobicContact CG-CE1 3.58Å; Q240-F255 HydrophobicContact CG-CZ 4.13Å; Q240-V267 PolarHBondContact N-O 3.04Å; Q240-C268 CarbonylContact O-C 3.51Å; Q240-C268 VanDerWaalsContact O-CA 3.32Å; Q240-C268 WeakPolarHBondContact O-CA 3.36Å; Q240-C268 PolarHBondContact OE1-SG 3.07Å; Q240-L269 PolarHBondContact O-N 2.56Å
241	V	98.3	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.1	-178.1	-176.2	0	0	0	0	110.5	I239 R243 V253 T254 Y256 L269 T271 Y277	I239-V241 HydrophobicContact CG2-CG2 3.83Å; V241-R243 HydrophobicContact CG1-CG 3.96Å; V241-R243 PolarHBondContact O-N 3.02Å; V241-V253 WeakPolarHBondContact O-CA 3.4Å; V241-T254 PolarHBondContact N-O 3.13Å; V241-T254 PolarHBondContact O-N 3.34Å; V241-Y256 HydrophobicContact CB-CD2 4.43Å; V241-Y256 HydrophobicContact CB-CE2 3.92Å; V241-Y256 HydrophobicContact CG2-CD2 3.64Å; V241-Y256 HydrophobicContact CG2-CE2 3.52Å; V241-L269 WeakPolarHBondContact CA-O 3.45Å; V241-L269 HydrophobicContact CG2-CB 4.23Å; V241-T271 HydrophobicContact CG1-CG2 3.72Å; V241-Y277 HydrophobicContact CG1-CD1 4.23Å; V241-Y277 HydrophobicContact CG1-CE1 3.85Å; V241-Y277 HydrophobicContact CG2-CE1 4.25Å
242	Y	97.8	Very high	96.7	Very high	6 Å²	6	35.8 Å²	35.8	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	105.1	166.2	-67.7	-93.7	0	0	0	109.2	M48 F52 Q240 L244 F252 V253 L269 V270 T271	M48-Y242 HydrophobicContact CE-CD1 4.37Å; M48-Y242 HydrophobicContact CE-CD2 3.7Å; M48-Y242 HydrophobicContact CE-CE2 4.28Å; M48-Y242 HydrophobicContact CE-CG 3.76Å; M48-Y242 HydrophobicContact CG-CD1 3.71Å; M48-Y242 HydrophobicContact CG-CE1 4.22Å; M48-Y242 HydrophobicContact CG-CG 3.98Å; M48-Y242 VanDerWaalsContact SD-CB 3.54Å; M48-Y242 HydrophobicContact SD-CD1 4.11Å; M48-Y242 HydrophobicContact SD-CD2 4.31Å; M48-Y242 HydrophobicContact SD-CG 3.74Å; F52-Y242 HydrophobicContact CE2-CD2 4.37Å; F52-Y242 AromaticContact CE2-CE2 3.63Å; F52-Y242 HydrophobicContact CE2-CE2 3.63Å; F52-Y242 AromaticContact CE2-CZ 3.81Å; F52-Y242 AromaticContact CZ-CE2 3.93Å; F52-Y242 HydrophobicContact CZ-CE2 3.93Å; Q240-Y242 HydrophobicContact CG-CE2 4.44Å; Y242-L244 PolarHBondContact O-N 3.49Å; Y242-F252 CarbonylContact C-O 3.35Å; Y242-F252 VanDerWaalsContact CA-O 3.31Å; Y242-F252 WeakPolarHBondContact CA-O 3.44Å; Y242-F252 HydrophobicContact CD1-CD1 4.49Å; Y242-F252 AromaticContact CD1-CE1 3.78Å; Y242-F252 HydrophobicContact CD1-CE1 3.78Å; Y242-F252 HydrophobicContact CD1-CE2 4.28Å; Y242-F252 AromaticContact CD1-CZ 3.68Å; Y242-F252 HydrophobicContact CD1-CZ 3.68Å; Y242-F252 HydrophobicContact CE1-CE1 4.18Å; Y242-F252 HydrophobicContact CE1-CZ 4.43Å; Y242-V253 HydrophobicContact CD1-CG2 3.79Å; Y242-V253 HydrophobicContact CE1-CG2 3.71Å; Y242-L269 PolarHBondContact N-O 2.81Å; Y242-V270 CarbonylContact O-C 3.53Å; Y242-V270 WeakPolarHBondContact O-CA 3.37Å; Y242-V270 WeakPolarHBondContact O-CG2 3.2Å; Y242-T271 PolarHBondContact O-N 3.14Å
243	R	97.3	Very high	96.6	Very high	9 Å²	9	37.6 Å²	37.6	3%	0.034	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	91.9	178.8	-63.9	171.3	80.4	-163.1	7	108.5	V241 Y245 K246 E251 F252 T254 T271 D274	V241-R243 HydrophobicContact CG1-CG 3.96Å; V241-R243 PolarHBondContact O-N 3.02Å; R243-Y245 VanDerWaalsContact C-N 3.27Å; R243-Y245 HydrophobicContact CB-CD1 4.39Å; R243-Y245 HydrophobicContact CB-CE1 3.94Å; R243-Y245 HydrophobicContact CG-CE1 4.47Å; R243-Y245 VanDerWaalsContact CZ-OH 3.28Å; R243-Y245 PolarHBondContact NE-OH 3.02Å; R243-Y245 PolarHBondContact NH2-OH 3.32Å; R243-Y245 PolarHBondContact O-N 3.47Å; R243-K246 HydrophobicContact CB-CB 4.05Å; R243-K246 HydrophobicContact CB-CG 4.13Å; R243-K246 CarbonylContact O-C 3.59Å; R243-K246 WeakPolarHBondContact O-CA 3.22Å; R243-K246 VanDerWaalsContact O-CB 3.28Å; R243-K246 WeakPolarHBondContact O-CB 3.42Å; R243-K246 PolarHBondContact O-N 2.97Å; R243-E251 IonicContact CZ-OE1 3.62Å; R243-E251 IonicContact NH1-OE1 3.52Å; R243-E251 PolarHBondContact NH1-OE1 3.18Å; R243-F252 PolarHBondContact N-O 2.73Å; R243-T254 VanDerWaalsContact CD-OG1 3.29Å; R243-T254 WeakPolarHBondContact CD-OG1 3.47Å; R243-T271 HydrophobicContact CB-CG2 4.38Å; R243-T271 HydrophobicContact CG-CG2 3.94Å; R243-D274 IonicContact CZ-OD1 3.99Å; R243-D274 IonicContact CZ-OD2 3.75Å; R243-D274 IonicContact NE-OD1 2.78Å; R243-D274 PolarHBondContact NE-OD1 2.79Å; R243-D274 IonicContact NE-OD2 3.1Å; R243-D274 PolarHBondContact NE-OD2 3.02Å; R243-D274 IonicContact NH2-OD1 2.76Å; R243-D274 IonicContact NH2-OD2 3.96Å; R243-D274 PolarHBondContact NH2-OD2 3.15Å
244	L	95.1	Very high	96.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.6	-32.6	-167.8	-60.2	-173.8	0	0	0	113.5	L41 Y45 M48 Y242 K246 A247 F252 V270 T271 E272	L41-L244 VanDerWaalsContact CD2-C 3.5Å; L41-L244 HydrophobicContact CD2-CB 3.57Å; Y45-L244 HydrophobicContact CD1-CD1 3.88Å; Y45-L244 HydrophobicContact CD2-CD1 3.69Å; Y45-L244 HydrophobicContact CE1-CD1 3.46Å; Y45-L244 VanDerWaalsContact CE1-CD1 3.46Å; Y45-L244 HydrophobicContact CE2-CD1 3.25Å; Y45-L244 HydrophobicContact CG-CD1 3.98Å; M48-L244 HydrophobicContact CG-CD2 4.38Å; M48-L244 HydrophobicContact SD-CD2 3.67Å; Y242-L244 PolarHBondContact O-N 3.49Å; L244-K246 PolarHBondContact O-N 2.71Å; L244-K246 VanDerWaalsContact O-N 3.14Å; L244-A247 WeakPolarHBondContact O-CB 3.37Å; L244-A247 PolarHBondContact O-N 3.24Å; L244-F252 HydrophobicContact CD2-CE2 3.89Å; L244-V270 HydrophobicContact CD1-CG2 3.55Å; L244-V270 HydrophobicContact CD2-CG2 3.58Å; L244-V270 HydrophobicContact CG-CG2 3.44Å; L244-V270 VanDerWaalsContact CG-CG2 3.44Å; L244-T271 WeakPolarHBondContact CG-O 3.36Å; L244-T271 PolarHBondContact N-O 3.02Å; L244-E272 HydrophobicContact CD1-CG 3.93Å
245	Y	93.6	Very high	96.5	Very high	73 Å²	73	39 Å²	39	29%	0.286	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-70.2	-5.2	175.6	71.1	-79.6	0	0	0	113.2	R243 E272 D274	R243-Y245 VanDerWaalsContact C-N 3.27Å; R243-Y245 HydrophobicContact CB-CD1 4.39Å; R243-Y245 HydrophobicContact CB-CE1 3.94Å; R243-Y245 HydrophobicContact CG-CE1 4.47Å; R243-Y245 VanDerWaalsContact CZ-OH 3.28Å; R243-Y245 PolarHBondContact NE-OH 3.02Å; R243-Y245 PolarHBondContact NH2-OH 3.32Å; R243-Y245 PolarHBondContact O-N 3.47Å; Y245-E272 WeakPolarHBondContact CB-O 3.09Å; Y245-E272 VanDerWaalsContact CD1-O 3.23Å; Y245-E272 WeakPolarHBondContact CD1-O 3.34Å; Y245-D274 PolarHBondContact OH-OD1 2.86Å; Y245-D274 PolarHBondContact OH-OD2 3.43Å
246	K	95.9	Very high	96.5	Very high	56 Å²	56	39 Å²	39	24%	0.243	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-111.6	14.6	176.3	-64.5	-69.4	-175.1	152.5	0	113	R243 L244 N248 T249 E251 F252	R243-K246 HydrophobicContact CB-CB 4.05Å; R243-K246 HydrophobicContact CB-CG 4.13Å; R243-K246 CarbonylContact O-C 3.59Å; R243-K246 WeakPolarHBondContact O-CA 3.22Å; R243-K246 VanDerWaalsContact O-CB 3.28Å; R243-K246 WeakPolarHBondContact O-CB 3.42Å; R243-K246 PolarHBondContact O-N 2.97Å; L244-K246 PolarHBondContact O-N 2.71Å; L244-K246 VanDerWaalsContact O-N 3.14Å; K246-N248 PolarHBondContact O-N 3.48Å; K246-T249 WeakPolarHBondContact CB-OG1 3.33Å; K246-T249 PolarHBondContact O-N 2.77Å; K246-T249 PolarHBondContact O-OG1 2.96Å; K246-E251 HydrophobicContact CB-CB 4.09Å; K246-E251 HydrophobicContact CD-CB 4.22Å; K246-E251 WeakPolarHBondContact CE-OE2 3.44Å; K246-E251 HydrophobicContact CG-CB 4.1Å; K246-E251 IonicContact NZ-OE2 2.74Å; K246-E251 PolarHBondContact NZ-OE2 2.66Å; K246-F252 WeakPolarHBondContact O-CB 3.47Å
247	A	93.3	Very high	96.5	Very high	8 Å²	8	35.6 Å²	35.6	7%	0.066	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-27.5	-173.1	0	0	0	0	0	116.5	V40 L244 F252	V40-A247 HydrophobicContact CG2-CB 3.96Å; V40-A247 WeakPolarHBondContact O-CB 3.27Å; L244-A247 WeakPolarHBondContact O-CB 3.37Å; L244-A247 PolarHBondContact O-N 3.24Å; A247-F252 VanDerWaalsContact CA-CD2 3.42Å; A247-F252 HydrophobicContact CB-CD2 4.03Å; A247-F252 HydrophobicContact CB-CE2 4.16Å
248	N	92.3	Very high	96.4	Very high	124 Å²	124	40 Å²	40	66%	0.663	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	22.6	-179	-59.8	-26.3	0	0	0	113	K246	K246-N248 PolarHBondContact O-N 3.48Å
249	T	95.8	Very high	96.2	Very high	66 Å²	66	43.4 Å²	43.4	41%	0.405	22%	0.218	S	C	.	.	S	Bend	trans	-133	164.2	-177.1	71.8	0	0	0	0	110.2	K246 E251 F252	K246-T249 WeakPolarHBondContact CB-OG1 3.33Å; K246-T249 PolarHBondContact O-N 2.77Å; K246-T249 PolarHBondContact O-OG1 2.96Å; T249-E251 PolarHBondContact O-N 2.78Å; T249-E251 VanDerWaalsContact O-N 3.16Å; T249-E251 PolarHBondContact OG1-N 2.74Å; T249-F252 WeakPolarHBondContact O-CB 3.33Å; T249-F252 PolarHBondContact O-N 2.63Å
250	E	94.7	Very high	96.1	Very high	189 Å²	189	45.7 Å²	45.7	88%	0.883	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-59.6	-22.3	172.7	63.6	-169.9	174.5	0	0	113.2	F252	E250-F252 VanDerWaalsContact C-N 3.26Å; E250-F252 PolarHBondContact O-N 3.25Å
251	E	94.4	Very high	95.8	Very high	66 Å²	66	50.7 Å²	50.7	31%	0.308	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-80.5	2.6	176.3	-61.6	-173	92.7	0	0	113.9	R243 K246 T249 V253 T254	R243-E251 IonicContact CZ-OE1 3.62Å; R243-E251 IonicContact NH1-OE1 3.52Å; R243-E251 PolarHBondContact NH1-OE1 3.18Å; K246-E251 HydrophobicContact CB-CB 4.09Å; K246-E251 HydrophobicContact CD-CB 4.22Å; K246-E251 WeakPolarHBondContact CE-OE2 3.44Å; K246-E251 HydrophobicContact CG-CB 4.1Å; K246-E251 IonicContact NZ-OE2 2.74Å; K246-E251 PolarHBondContact NZ-OE2 2.66Å; T249-E251 PolarHBondContact O-N 2.78Å; T249-E251 VanDerWaalsContact O-N 3.16Å; T249-E251 PolarHBondContact OG1-N 2.74Å; E251-V253 PolarHBondContact O-N 3.15Å; E251-T254 PolarHBondContact O-OG1 3.32Å
252	F	97.1	Very high	95.5	Very high	10 Å²	10	57.5 Å²	57.5	4%	0.044	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-55.5	-38.6	176.6	174.9	-129.6	0	0	0	111.6	E47 M48 Y242 R243 L244 K246 A247 T249 E250	E47-F252 HydrophobicContact CB-CE1 4.2Å; E47-F252 HydrophobicContact CB-CZ 4.17Å; E47-F252 HydrophobicContact CG-CE1 3.89Å; E47-F252 HydrophobicContact CG-CZ 4.35Å; E47-F252 VanDerWaalsContact OE1-CE1 3.27Å; E47-F252 WeakPolarHBondContact OE1-CE1 3.37Å; M48-F252 HydrophobicContact CG-CZ 4.16Å; Y242-F252 CarbonylContact C-O 3.35Å; Y242-F252 VanDerWaalsContact CA-O 3.31Å; Y242-F252 WeakPolarHBondContact CA-O 3.44Å; Y242-F252 HydrophobicContact CD1-CD1 4.49Å; Y242-F252 AromaticContact CD1-CE1 3.78Å; Y242-F252 HydrophobicContact CD1-CE1 3.78Å; Y242-F252 HydrophobicContact CD1-CE2 4.28Å; Y242-F252 AromaticContact CD1-CZ 3.68Å; Y242-F252 HydrophobicContact CD1-CZ 3.68Å; Y242-F252 HydrophobicContact CE1-CE1 4.18Å; Y242-F252 HydrophobicContact CE1-CZ 4.43Å; R243-F252 PolarHBondContact N-O 2.73Å; L244-F252 HydrophobicContact CD2-CE2 3.89Å; K246-F252 WeakPolarHBondContact O-CB 3.47Å; A247-F252 VanDerWaalsContact CA-CD2 3.42Å; A247-F252 HydrophobicContact CB-CD2 4.03Å; A247-F252 HydrophobicContact CB-CE2 4.16Å; T249-F252 WeakPolarHBondContact O-CB 3.33Å; T249-F252 PolarHBondContact O-N 2.63Å; E250-F252 VanDerWaalsContact C-N 3.26Å; E250-F252 PolarHBondContact O-N 3.25Å
253	V	97.1	Very high	95.4	Very high	38 Å²	38	63.2 Å²	63.2	23%	0.23	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	116.3	173.6	-177.9	0	0	0	0	107.9	Q240 V241 Y242 E251 F255	Q240-V253 HydrophobicContact CG-CG1 3.71Å; Q240-V253 VanDerWaalsContact NE2-CG1 3.33Å; V241-V253 WeakPolarHBondContact O-CA 3.4Å; Y242-V253 HydrophobicContact CD1-CG2 3.79Å; Y242-V253 HydrophobicContact CE1-CG2 3.71Å; E251-V253 PolarHBondContact O-N 3.15Å; V253-F255 HydrophobicContact CG1-CE1 4.42Å; V253-F255 HydrophobicContact CG1-CE2 3.76Å; V253-F255 HydrophobicContact CG1-CZ 3.7Å
254	T	97.3	Very high	95.3	Very high	25 Å²	25	65.2 Å²	65.2	15%	0.153	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.8	174.9	-51.7	0	0	0	0	109.8	V241 R243 E251 Y256	V241-T254 PolarHBondContact N-O 3.13Å; V241-T254 PolarHBondContact O-N 3.34Å; R243-T254 VanDerWaalsContact CD-OG1 3.29Å; R243-T254 WeakPolarHBondContact CD-OG1 3.47Å; E251-T254 PolarHBondContact O-OG1 3.32Å; T254-Y256 HydrophobicContact CG2-CD1 4.44Å; T254-Y256 HydrophobicContact CG2-CE1 3.71Å; T254-Y256 HydrophobicContact CG2-CE2 4Å; T254-Y256 VanDerWaalsContact CG2-CZ 3.45Å; T254-Y256 WeakPolarHBondContact CG2-OH 3.28Å
255	F	98.1	Very high	95.4	Very high	30 Å²	30	69 Å²	69	13%	0.132	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.5	179.5	-61.1	-90.1	0	0	0	109.6	T238 Q240 V253 P257 D258 R261	T238-F255 HydrophobicContact CG2-CB 4.17Å; T238-F255 HydrophobicContact CG2-CD1 3.82Å; T238-F255 HydrophobicContact CG2-CG 4.48Å; Q240-F255 HydrophobicContact CB-CD1 3.95Å; Q240-F255 HydrophobicContact CB-CE1 3.88Å; Q240-F255 HydrophobicContact CG-CD1 4.04Å; Q240-F255 HydrophobicContact CG-CE1 3.58Å; Q240-F255 HydrophobicContact CG-CZ 4.13Å; V253-F255 HydrophobicContact CG1-CE1 4.42Å; V253-F255 HydrophobicContact CG1-CE2 3.76Å; V253-F255 HydrophobicContact CG1-CZ 3.7Å; F255-P257 CarbonylContact C-O 3.42Å; F255-P257 CarbonylContact O-C 3.49Å; F255-D258 PolarHBondContact O-N 3.45Å; F255-R261 HydrophobicContact CD1-CG 4.01Å; F255-R261 HydrophobicContact CE1-CG 4.1Å; F255-R261 HydrophobicContact CG-CG 4.29Å; F255-R261 HydrophobicContact CZ-CG 4.47Å
256	Y	98	Very high	95.5	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	104.9	176.1	-51.8	-75.9	0	0	0	110.5	Q225 M228 F229 I239 V241 T254	Q225-Y256 HydrophobicContact CG-CE1 3.71Å; Q225-Y256 WeakPolarHBondContact CG-OH 3.47Å; Q225-Y256 PolarHBondContact NE2-OH 3.35Å; M228-Y256 HydrophobicContact CB-CD1 3.88Å; M228-Y256 HydrophobicContact CB-CD2 4.02Å; M228-Y256 HydrophobicContact CB-CE1 4.32Å; M228-Y256 HydrophobicContact CB-CE2 4.44Å; M228-Y256 HydrophobicContact CB-CG 3.71Å; F229-Y256 HydrophobicContact CD1-CD1 4.29Å; F229-Y256 AromaticContact CD2-CD1 3.54Å; F229-Y256 HydrophobicContact CD2-CD1 3.54Å; F229-Y256 HydrophobicContact CD2-CE1 4.04Å; F229-Y256 HydrophobicContact CE1-CD1 4.09Å; F229-Y256 AromaticContact CE2-CD1 3.34Å; F229-Y256 HydrophobicContact CE2-CD1 3.34Å; F229-Y256 AromaticContact CE2-CE1 3.49Å; F229-Y256 HydrophobicContact CE2-CE1 3.49Å; F229-Y256 VanDerWaalsContact CE2-CE1 3.49Å; F229-Y256 HydrophobicContact CG-CD1 4.01Å; F229-Y256 AromaticContact CZ-CD1 3.62Å; F229-Y256 HydrophobicContact CZ-CD1 3.62Å; F229-Y256 AromaticContact CZ-CE1 3.9Å; F229-Y256 HydrophobicContact CZ-CE1 3.9Å; I239-Y256 PolarHBondContact N-O 3.3Å; I239-Y256 PolarHBondContact O-N 2.88Å; V241-Y256 HydrophobicContact CB-CD2 4.43Å; V241-Y256 HydrophobicContact CB-CE2 3.92Å; V241-Y256 HydrophobicContact CG2-CD2 3.64Å; V241-Y256 HydrophobicContact CG2-CE2 3.52Å; T254-Y256 HydrophobicContact CG2-CD1 4.44Å; T254-Y256 HydrophobicContact CG2-CE1 3.71Å; T254-Y256 HydrophobicContact CG2-CE2 4Å; T254-Y256 VanDerWaalsContact CG2-CZ 3.45Å; T254-Y256 WeakPolarHBondContact CG2-OH 3.28Å
257	P	97.8	Very high	95.5	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.337	C	S	.	.	S	Bend	cis	-78.3	169.6	-7.5	39.6	-40.1	0	0	0	112.8	F229 Y233 F255 D259 H260 W264	F229-P257 HydrophobicContact CD1-CB 3.88Å; Y233-P257 HydrophobicContact CD2-CB 3.76Å; Y233-P257 HydrophobicContact CD2-CG 3.72Å; Y233-P257 HydrophobicContact CE2-CB 3.39Å; Y233-P257 HydrophobicContact CE2-CG 3.49Å; Y233-P257 VanDerWaalsContact CE2-CG 3.49Å; F255-P257 CarbonylContact C-O 3.42Å; F255-P257 CarbonylContact O-C 3.49Å; P257-D259 WeakPolarHBondContact CB-OD1 3.34Å; P257-D259 WeakPolarHBondContact CG-OD1 3.25Å; P257-H260 HydrophobicContact CG-CB 4.04Å; P257-W264 HydrophobicContact CG-CE3 4.15Å; P257-W264 HydrophobicContact CG-CZ3 3.79Å
258	D	94.4	Very high	95.7	Very high	108 Å²	108	65.9 Å²	65.9	58%	0.578	34%	0.341	S	S	*	.	S	Bend	trans	-87.3	-24.6	176.4	57.1	-20.3	0	0	0	112.9	F255	F255-D258 PolarHBondContact O-N 3.45Å
259	D	95.5	Very high	96	Very high	72 Å²	72	60 Å²	60	39%	0.385	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.8	-178.9	61.1	4.3	0	0	0	115.4	Y233 P257	Y233-D259 WeakPolarHBondContact CE2-OD1 3.15Å; Y233-D259 PolarHBondContact OH-OD1 3.08Å; Y233-D259 VanDerWaalsContact OH-OD1 3.13Å; Y233-D259 PolarHBondContact OH-OD2 3.47Å; P257-D259 WeakPolarHBondContact CB-OD1 3.34Å; P257-D259 WeakPolarHBondContact CG-OD1 3.25Å
260	H	95.4	Very high	96.1	Very high	47 Å²	47	56.8 Å²	56.8	22%	0.218	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	27.6	174.2	-71	-62.5	0	0	0	113.1	Y233 T238 P257 D262 D263 W264	Y233-H260 AromaticContact CZ-CD2 3.76Å; Y233-H260 AromaticContact CZ-NE2 3.97Å; Y233-H260 PolarHBondContact OH-NE2 3.24Å; T238-H260 PolarHBondContact OG1-O 3.3Å; P257-H260 HydrophobicContact CG-CB 4.04Å; H260-D262 PolarHBondContact O-N 3.46Å; H260-D263 PolarHBondContact O-N 2.86Å; H260-W264 HydrophobicContact CB-CB 4.34Å; H260-W264 HydrophobicContact CB-CD2 3.59Å; H260-W264 HydrophobicContact CB-CE3 3.82Å; H260-W264 HydrophobicContact CB-CG 3.82Å; H260-W264 HydrophobicContact CB-CZ2 4.46Å; H260-W264 HydrophobicContact CB-CZ3 4.33Å; H260-W264 AromaticContact CD2-CE2 3.78Å; H260-W264 AromaticContact CD2-CH2 3.62Å; H260-W264 AromaticContact CD2-CZ2 3.48Å; H260-W264 VanDerWaalsContact CD2-CZ2 3.48Å; H260-W264 WeakPolarHBondContact CD2-CZ2 3.42Å; H260-W264 AromaticContact CG-CD2 3.89Å; H260-W264 AromaticContact CG-CE2 3.66Å; H260-W264 AromaticContact CG-CZ2 3.88Å; H260-W264 AromaticContact CG-NE1 3.94Å; H260-W264 AromaticContact ND1-NE1 3.95Å; H260-W264 AromaticContact NE2-CZ2 3.77Å; H260-W264 PolarHBondContact O-N 3.4Å
261	R	92.9	Very high	96.1	Very high	137 Å²	137	47.9 Å²	47.9	52%	0.517	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-41.1	-176.9	178.9	-179.5	169.6	-177.8	-2.6	113.6	F255	F255-R261 HydrophobicContact CD1-CG 4.01Å; F255-R261 HydrophobicContact CE1-CG 4.1Å; F255-R261 HydrophobicContact CG-CG 4.29Å; F255-R261 HydrophobicContact CZ-CG 4.47Å
262	D	92.4	Very high	96.1	Very high	143 Å²	143	47.4 Å²	47.4	77%	0.765	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	-10.6	-171.1	-58.3	-47.2	0	0	0	113.3	H260	H260-D262 PolarHBondContact O-N 3.46Å
263	D	94.2	Very high	95.9	Very high	127 Å²	127	50.1 Å²	50.1	68%	0.679	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-24.2	-173.3	-58.4	-47.2	0	0	0	113.9	H260	H260-D263 PolarHBondContact O-N 2.86Å
264	W	96.4	Very high	95.7	Very high	50 Å²	50	49.7 Å²	49.7	19%	0.189	26%	0.257	C	S	.	.	S	Bend	trans	-104.4	150.5	-178.9	-73	1.7	0	0	0	112.5	G232 Y233 Q236 P257 H260 S266	G232-W264 WeakPolarHBondContact O-CZ3 3.37Å; Y233-W264 AromaticContact CD1-CH2 3.83Å; Y233-W264 HydrophobicContact CD1-CH2 3.83Å; Y233-W264 HydrophobicContact CD2-CH2 4.18Å; Y233-W264 HydrophobicContact CD2-CZ3 4.23Å; Y233-W264 HydrophobicContact CE1-CH2 4.06Å; Y233-W264 HydrophobicContact CE2-CH2 4.4Å; Y233-W264 AromaticContact CG-CH2 3.88Å; Y233-W264 HydrophobicContact CG-CH2 3.88Å; Y233-W264 HydrophobicContact CG-CZ3 4.24Å; Q236-W264 HydrophobicContact CB-CD2 4.22Å; Q236-W264 HydrophobicContact CB-CZ2 4.3Å; Q236-W264 HydrophobicContact CG-CH2 4.49Å; Q236-W264 HydrophobicContact CG-CZ2 4.18Å; P257-W264 HydrophobicContact CG-CE3 4.15Å; P257-W264 HydrophobicContact CG-CZ3 3.79Å; H260-W264 HydrophobicContact CB-CB 4.34Å; H260-W264 HydrophobicContact CB-CD2 3.59Å; H260-W264 HydrophobicContact CB-CE3 3.82Å; H260-W264 HydrophobicContact CB-CG 3.82Å; H260-W264 HydrophobicContact CB-CZ2 4.46Å; H260-W264 HydrophobicContact CB-CZ3 4.33Å; H260-W264 AromaticContact CD2-CE2 3.78Å; H260-W264 AromaticContact CD2-CH2 3.62Å; H260-W264 AromaticContact CD2-CZ2 3.48Å; H260-W264 VanDerWaalsContact CD2-CZ2 3.48Å; H260-W264 WeakPolarHBondContact CD2-CZ2 3.42Å; H260-W264 AromaticContact CG-CD2 3.89Å; H260-W264 AromaticContact CG-CE2 3.66Å; H260-W264 AromaticContact CG-CZ2 3.88Å; H260-W264 AromaticContact CG-NE1 3.94Å; H260-W264 AromaticContact ND1-NE1 3.95Å; H260-W264 AromaticContact NE2-CZ2 3.77Å; H260-W264 PolarHBondContact O-N 3.4Å; W264-S266 PolarHBondContact O-N 3.03Å
265	P	96.3	Very high	95.4	Very high	81 Å²	81	57.7 Å²	57.7	53%	0.526	29%	0.285	S	S	.	.			trans	-55.3	130.5	170.5	-22.2	32.5	0	0	0	110.8	H237 T238	H237-P265 VanDerWaalsContact CA-O 3.32Å; H237-P265 WeakPolarHBondContact CA-O 3.32Å; H237-P265 PolarHBondContact CD2-O 2.88Å; T238-P265 PolarHBondContact N-O 2.76Å
266	S	96.1	Very high	95.1	Very high	48 Å²	48	60.2 Å²	60.2	34%	0.336	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	138.5	-176.5	-171.4	0	0	0	0	111.9	T238 W264	T238-S266 CarbonylContact O-C 3.58Å; T238-S266 WeakPolarHBondContact O-CA 3.43Å; T238-S266 PolarHBondContact O-OG 3.06Å; W264-S266 PolarHBondContact O-N 3.03Å
267	V	97	Very high	95	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.4	167.7	-68.2	0	0	0	0	110.3	T69 Q72 V73 T238 I239 Q240	T69-V267 HydrophobicContact CG2-CG2 4.43Å; Q72-V267 HydrophobicContact CB-CB 3.7Å; Q72-V267 HydrophobicContact CB-CG1 3.72Å; Q72-V267 HydrophobicContact CG-CB 4.48Å; V73-V267 HydrophobicContact CG2-CG1 3.84Å; V73-V267 HydrophobicContact CG2-CG2 4.49Å; T238-V267 PolarHBondContact O-N 3.35Å; I239-V267 HydrophobicContact CB-CG2 4.32Å; I239-V267 HydrophobicContact CG1-CG2 4.08Å; I239-V267 HydrophobicContact CG2-CG2 4.29Å; Q240-V267 PolarHBondContact N-O 3.04Å
268	C	97.4	Very high	94.9	Very high	21 Å²	21	61.4 Å²	61.4	14%	0.142	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.2	180	-70.9	0	0	0	0	111.2	F52 Q72 Q240 P280	F52-C268 HydrophobicContact CE1-CB 4.36Å; F52-C268 HydrophobicContact CZ-CB 4.1Å; Q72-C268 PolarHBondContact NE2-O 3.48Å; Q240-C268 CarbonylContact O-C 3.51Å; Q240-C268 VanDerWaalsContact O-CA 3.32Å; Q240-C268 WeakPolarHBondContact O-CA 3.36Å; Q240-C268 PolarHBondContact OE1-SG 3.07Å; C268-P280 HydrophobicContact CB-CG 3.85Å; C268-P280 WeakPolarHBondContact O-CD 3.21Å
269	L	97.9	Very high	95	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	166.7	170	-52.9	-179	0	0	0	110.2	A68 Q72 M228 I239 Q240 V241 Y242 Y277 N278 V279	A68-L269 HydrophobicContact CB-CD1 4.3Å; A68-L269 HydrophobicContact CB-CD2 3.77Å; Q72-L269 HydrophobicContact CG-CD2 4Å; M228-L269 HydrophobicContact CE-CD1 4.3Å; I239-L269 HydrophobicContact CG2-CD1 3.54Å; I239-L269 HydrophobicContact CG2-CG 3.93Å; Q240-L269 PolarHBondContact O-N 2.56Å; V241-L269 WeakPolarHBondContact CA-O 3.45Å; V241-L269 HydrophobicContact CG2-CB 4.23Å; Y242-L269 PolarHBondContact N-O 2.81Å; L269-Y277 HydrophobicContact CB-CD1 4.18Å; L269-Y277 HydrophobicContact CD1-CD1 3.94Å; L269-Y277 HydrophobicContact CD1-CG 4.43Å; L269-N278 WeakPolarHBondContact CA-O 3.47Å; L269-V279 HydrophobicContact CD2-CG2 4.16Å
270	V	96.9	Very high	94.9	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	141.6	171.6	60.6	0	0	0	0	110.6	M48 L55 Y242 L244 Y277 N278	M48-V270 HydrophobicContact CE-CB 3.92Å; M48-V270 HydrophobicContact CE-CG1 4.46Å; M48-V270 HydrophobicContact CE-CG2 4.11Å; M48-V270 HydrophobicContact SD-CB 3.96Å; M48-V270 HydrophobicContact SD-CG2 3.46Å; M48-V270 WeakPolarHBondContact SD-CG2 3.03Å; L55-V270 HydrophobicContact CD1-CG1 3.33Å; Y242-V270 CarbonylContact O-C 3.53Å; Y242-V270 WeakPolarHBondContact O-CA 3.37Å; Y242-V270 WeakPolarHBondContact O-CG2 3.2Å; L244-V270 HydrophobicContact CD1-CG2 3.55Å; L244-V270 HydrophobicContact CD2-CG2 3.58Å; L244-V270 HydrophobicContact CG-CG2 3.44Å; L244-V270 VanDerWaalsContact CG-CG2 3.44Å; V270-Y277 CarbonylContact O-C 3.5Å; V270-Y277 WeakPolarHBondContact O-CA 3.43Å; V270-N278 HydrophobicContact CG1-CB 3.79Å; V270-N278 PolarHBondContact N-O 3.35Å; V270-N278 PolarHBondContact O-N 3.47Å
271	T	95.8	Very high	94.5	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.6	177.8	-172.8	0	0	0	0	111.6	V241 Y242 R243 L244 D273 D274 H276 Y277	V241-T271 HydrophobicContact CG1-CG2 3.72Å; Y242-T271 PolarHBondContact O-N 3.14Å; R243-T271 HydrophobicContact CB-CG2 4.38Å; R243-T271 HydrophobicContact CG-CG2 3.94Å; L244-T271 WeakPolarHBondContact CG-O 3.36Å; L244-T271 PolarHBondContact N-O 3.02Å; T271-D273 PolarHBondContact OG1-N 3.14Å; T271-D274 WeakPolarHBondContact CG2-OD1 3.38Å; T271-D274 WeakPolarHBondContact OG1-CA 3.32Å; T271-D274 PolarHBondContact OG1-N 2.79Å; T271-H276 WeakPolarHBondContact CA-O 3.28Å; T271-H276 VanDerWaalsContact CB-O 3.26Å; T271-H276 WeakPolarHBondContact CB-O 3.1Å; T271-H276 PolarHBondContact OG1-O 3.14Å; T271-Y277 HydrophobicContact CG2-CD1 4.49Å; T271-Y277 HydrophobicContact CG2-CE1 4.1Å
272	E	94	Very high	94.1	Very high	57 Å²	57	48 Å²	48	27%	0.266	25%	0.252	S	S	.	.	S	Bend	trans	-92.4	-17.4	174	-70	177.5	-175.6	0	0	112.3	L41 Y45 L244 Y245	L41-E272 HydrophobicContact CD1-CB 4.33Å; L41-E272 HydrophobicContact CD1-CG 4.24Å; L41-E272 HydrophobicContact CD2-CB 4.4Å; L41-E272 HydrophobicContact CD2-CG 4.4Å; Y45-E272 HydrophobicContact CE2-CG 4.49Å; Y45-E272 WeakPolarHBondContact CE2-OE1 3.28Å; Y45-E272 PolarHBondContact OH-OE1 2.88Å; L244-E272 HydrophobicContact CD1-CG 3.93Å; Y245-E272 WeakPolarHBondContact CB-O 3.09Å; Y245-E272 VanDerWaalsContact CD1-O 3.23Å; Y245-E272 WeakPolarHBondContact CD1-O 3.34Å
273	D	92	Very high	92.9	Very high	66 Å²	66	47.7 Å²	47.7	35%	0.353	25%	0.246	S	C	.	.	S	Bend	trans	-155.2	11.5	-166	64.4	5.9	0	0	0	115.6	T271 R275 H276	T271-D273 PolarHBondContact OG1-N 3.14Å; D273-R275 PolarHBondContact O-N 2.9Å; D273-R275 VanDerWaalsContact O-N 3.1Å; D273-R275 WeakPolarHBondContact OD1-CA 3.05Å; D273-R275 WeakPolarHBondContact OD1-CB 3.49Å; D273-R275 PolarHBondContact OD1-N 3.26Å; D273-H276 IonicContact OD1-CG 3.48Å; D273-H276 PolarHBondContact OD1-N 2.85Å; D273-H276 IonicContact OD1-ND1 3.24Å; D273-H276 PolarHBondContact OD1-ND1 3.29Å; D273-H276 IonicContact OD2-CE1 2.71Å; D273-H276 PolarHBondContact OD2-CE1 2.57Å; D273-H276 IonicContact OD2-CG 2.66Å; D273-H276 IonicContact OD2-ND1 3.92Å; D273-H276 PolarHBondContact OD2-ND1 3.5Å
274	D	93.8	Very high	91	Very high	29 Å²	29	45.7 Å²	45.7	16%	0.155	25%	0.247	C	C	.	.	S	Bend	trans	60.9	5.8	-173.2	-77.8	-1.4	0	0	0	115.6	R243 Y245 T271 Y277	R243-D274 IonicContact CZ-OD1 3.99Å; R243-D274 IonicContact CZ-OD2 3.75Å; R243-D274 IonicContact NE-OD1 2.78Å; R243-D274 PolarHBondContact NE-OD1 2.79Å; R243-D274 IonicContact NE-OD2 3.1Å; R243-D274 PolarHBondContact NE-OD2 3.02Å; R243-D274 IonicContact NH2-OD1 2.76Å; R243-D274 IonicContact NH2-OD2 3.96Å; R243-D274 PolarHBondContact NH2-OD2 3.15Å; Y245-D274 PolarHBondContact OH-OD1 2.86Å; Y245-D274 PolarHBondContact OH-OD2 3.43Å; T271-D274 WeakPolarHBondContact CG2-OD1 3.38Å; T271-D274 WeakPolarHBondContact OG1-CA 3.32Å; T271-D274 PolarHBondContact OG1-N 2.79Å; D274-Y277 WeakPolarHBondContact O-CE2 3.45Å; D274-Y277 PolarHBondContact O-OH 3.23Å
275	R	90.4	Very high	88.3	Confident	194 Å²	194	47.7 Å²	47.7	73%	0.732	27%	0.274	S	S	*	.	S	Bend	trans	-110.1	-34.9	178.6	-62.8	174.7	-178	-98	-3.1	111.9	D273	D273-R275 PolarHBondContact O-N 2.9Å; D273-R275 VanDerWaalsContact O-N 3.1Å; D273-R275 WeakPolarHBondContact OD1-CA 3.05Å; D273-R275 WeakPolarHBondContact OD1-CB 3.49Å; D273-R275 PolarHBondContact OD1-N 3.26Å
276	H	92.8	Very high	85.2	Confident	83 Å²	83	52.2 Å²	52.2	38%	0.384	29%	0.289	S	S	.	.			trans	-116	118.7	-177.8	-52.6	100.4	0	0	0	110.2	T271 D273	T271-H276 WeakPolarHBondContact CA-O 3.28Å; T271-H276 VanDerWaalsContact CB-O 3.26Å; T271-H276 WeakPolarHBondContact CB-O 3.1Å; T271-H276 PolarHBondContact OG1-O 3.14Å; D273-H276 IonicContact OD1-CG 3.48Å; D273-H276 PolarHBondContact OD1-N 2.85Å; D273-H276 IonicContact OD1-ND1 3.24Å; D273-H276 PolarHBondContact OD1-ND1 3.29Å; D273-H276 IonicContact OD2-CE1 2.71Å; D273-H276 PolarHBondContact OD2-CE1 2.57Å; D273-H276 IonicContact OD2-CG 2.66Å; D273-H276 IonicContact OD2-ND1 3.92Å; D273-H276 PolarHBondContact OD2-ND1 3.5Å
277	Y	96.6	Very high	82.3	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	129.8	-177.9	-66	-96.2	0	0	0	109.9	V58 C64 A65 M228 V241 L269 V270 T271 D274	V58-Y277 WeakPolarHBondContact CB-O 3.47Å; V58-Y277 WeakPolarHBondContact CG2-O 3.31Å; C64-Y277 PolarHBondContact SG-N 3.23Å; C64-Y277 PolarHBondContact SG-O 3.47Å; C64-Y277 VanDerWaalsContact SG-O 3.32Å; A65-Y277 HydrophobicContact CB-CD2 3.73Å; A65-Y277 HydrophobicContact CB-CE2 3.86Å; A65-Y277 HydrophobicContact CB-CG 4.45Å; M228-Y277 HydrophobicContact CE-CE1 4.13Å; V241-Y277 HydrophobicContact CG1-CD1 4.23Å; V241-Y277 HydrophobicContact CG1-CE1 3.85Å; V241-Y277 HydrophobicContact CG2-CE1 4.25Å; L269-Y277 HydrophobicContact CB-CD1 4.18Å; L269-Y277 HydrophobicContact CD1-CD1 3.94Å; L269-Y277 HydrophobicContact CD1-CG 4.43Å; V270-Y277 CarbonylContact O-C 3.5Å; V270-Y277 WeakPolarHBondContact O-CA 3.43Å; T271-Y277 HydrophobicContact CG2-CD1 4.49Å; T271-Y277 HydrophobicContact CG2-CE1 4.1Å; D274-Y277 WeakPolarHBondContact O-CE2 3.45Å; D274-Y277 PolarHBondContact O-OH 3.23Å
278	N	95.4	Very high	79.4	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.123	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	167.4	172.5	-66.3	-56	0	0	0	110.1	L55 R56 R57 V58 L269 V270	L55-N278 HydrophobicContact CD1-CB 3.74Å; L55-N278 HydrophobicContact CD2-CB 4.4Å; L55-N278 HydrophobicContact CG-CB 4.16Å; R56-N278 WeakPolarHBondContact O-CB 3.13Å; R57-N278 VanDerWaalsContact CA-OD1 3.32Å; R57-N278 WeakPolarHBondContact CA-OD1 3.45Å; V58-N278 PolarHBondContact N-OD1 3.3Å; L269-N278 WeakPolarHBondContact CA-O 3.47Å; V270-N278 HydrophobicContact CG1-CB 3.79Å; V270-N278 PolarHBondContact N-O 3.35Å; V270-N278 PolarHBondContact O-N 3.47Å
279	V	94.9	Very high	76.2	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111.4	-177.1	169.5	0	0	0	0	109.6	R56 V58 A68 F71 Q72 L269 V281	R56-V279 HydrophobicContact CB-CB 4.05Å; R56-V279 HydrophobicContact CB-CG1 4.48Å; R56-V279 WeakPolarHBondContact CB-O 3.47Å; R56-V279 HydrophobicContact CG-CB 4.47Å; R56-V279 PolarHBondContact N-O 3.27Å; R56-V279 PolarHBondContact O-N 3.17Å; V58-V279 HydrophobicContact CG2-CG2 3.97Å; A68-V279 HydrophobicContact CB-CG2 4.23Å; F71-V279 HydrophobicContact CD1-CG1 4.26Å; F71-V279 HydrophobicContact CD1-CG2 4.21Å; Q72-V279 HydrophobicContact CG-CB 4.33Å; Q72-V279 HydrophobicContact CG-CG1 3.67Å; Q72-V279 HydrophobicContact CG-CG2 3.81Å; L269-V279 HydrophobicContact CD2-CG2 4.16Å; V279-V281 HydrophobicContact CG1-CG2 4.31Å
280	P	93.3	Very high	73.1	Confident	2 Å²	2	75.4 Å²	75.4	1%	0.013	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	140.2	170.1	32.2	-34.4	0	0	0	110.4	M48 F52 C268	M48-P280 HydrophobicContact CE-CB 3.6Å; M48-P280 HydrophobicContact CE-CG 3.96Å; F52-P280 HydrophobicContact CB-CB 4.1Å; F52-P280 HydrophobicContact CD1-CB 3.74Å; F52-P280 HydrophobicContact CD1-CG 4.32Å; F52-P280 HydrophobicContact CD2-CB 3.86Å; F52-P280 HydrophobicContact CE1-CB 4.06Å; F52-P280 HydrophobicContact CE1-CG 4.12Å; F52-P280 HydrophobicContact CE2-CB 4.17Å; F52-P280 HydrophobicContact CE2-CG 4.35Å; F52-P280 HydrophobicContact CG-CB 3.63Å; F52-P280 HydrophobicContact CZ-CB 4.26Å; F52-P280 HydrophobicContact CZ-CG 4.14Å; C268-P280 HydrophobicContact CB-CG 3.85Å; C268-P280 WeakPolarHBondContact O-CD 3.21Å
281	V	88.6	Confident	70.2	Confident	22 Å²	22	83.3 Å²	83.3	13%	0.133	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	121.5	-176.2	179.4	0	0	0	0	108.5	S53 H54 R56 V279	S53-V281 PolarHBondContact N-O 3.26Å; S53-V281 PolarHBondContact OG-O 3.08Å; H54-V281 HydrophobicContact CB-CB 4.1Å; H54-V281 PolarHBondContact N-O 2.94Å; H54-V281 VanDerWaalsContact N-O 3.07Å; H54-V281 PolarHBondContact O-N 3.28Å; R56-V281 HydrophobicContact CB-CG2 4.23Å; V279-V281 HydrophobicContact CG1-CG2 4.31Å
282	A	83.6	Confident	67.3	Low	57 Å²	57	89.4 Å²	89.4	47%	0.471	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-80.4	149.7	171.1	0	0	0	0	0	109.9	F52	F52-A282 HydrophobicContact CD1-CB 4.19Å
283	E	67.5	Low	64.6	Low	138 Å²	138	91.3 Å²	91.3	65%	0.645	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-67.3	135.3	164	-101.6	162	-150.3	0	0	108.5	S53 H54 A285	S53-E283 WeakPolarHBondContact OG-CG 3.36Å; S53-E283 PolarHBondContact OG-N 3.3Å; H54-E283 IonicContact CE1-OE1 2.77Å; E283-A285 PolarHBondContact O-N 3.48Å
284	A	54.7	Low	62.1	Low	84 Å²	84	97.3 Å²	97.3	69%	0.694	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-60.9	124.2	168.8	0	0	0	0	0	106.9	E286	A284-E286 PolarHBondContact O-N 3.45Å; A284-E286 VanDerWaalsContact O-N 3.1Å
285	A	38.7	Very low	60.5	Low	93 Å²	93	100.7 Å²	100.7	77%	0.769	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-59.1	118.3	165.9	0	0	0	0	0	107	E283	E283-A285 PolarHBondContact O-N 3.48Å
286	E	31.9	Very low	58.9	Low	176 Å²	176	95.8 Å²	95.8	82%	0.822	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-52.9	127.7	168.4	-71.4	-72.7	150.5	0	0	107.7	A284 G288	A284-E286 PolarHBondContact O-N 3.45Å; A284-E286 VanDerWaalsContact O-N 3.1Å; E286-G288 PolarHBondContact O-N 3.44Å
287	P	36.1	Very low	57	Low	124 Å²	124	96.5 Å²	96.5	81%	0.805	59%	0.593	S	S	*	*	S	Bend	trans	-67.7	102.8	176.3	25.4	-29.9	0	0	0	109.3
288	G	34.5	Very low	54.7	Low	64 Å²	64	102.1 Å²	102.1	66%	0.66	63%	0.627	S	S	*	*			trans	61	95.4	155.5	0	0	0	0	0	116.8	E286 E290	E286-G288 PolarHBondContact O-N 3.44Å; G288-E290 PolarHBondContact O-N 3.37Å
289	E	31.2	Very low	52.2	Low	191 Å²	191	107 Å²	107	89%	0.893	66%	0.659	S	S	*	*			trans	-65.8	92.4	137.4	-81.7	-174.9	153.7	0	0	106.9	L291	E289-L291 VanDerWaalsContact C-N 3.31Å; E289-L291 PolarHBondContact O-N 3.42Å
290	E	33	Very low	49.3	Very low	177 Å²	177	114.1 Å²	114.1	83%	0.827	70%	0.702	S	S	*	*			trans	-57.3	102.9	158.3	-112.1	175.9	178.9	0	0	106.7	G288 T292	G288-E290 PolarHBondContact O-N 3.37Å; E290-T292 PolarHBondContact O-N 3.27Å
291	L	35.6	Very low	46.2	Very low	166 Å²	166	122.1 Å²	122.1	87%	0.869	75%	0.752	S	S	*	*			trans	-56.2	95.8	162.9	-76.8	162.1	0	0	0	107.1	E289 A293	E289-L291 VanDerWaalsContact C-N 3.31Å; E289-L291 PolarHBondContact O-N 3.42Å; L291-A293 PolarHBondContact O-N 3.14Å
292	T	34.1	Very low	42.9	Very low	129 Å²	129	129.8 Å²	129.8	79%	0.791	80%	0.799	S	S	*	*			trans	-66.6	91.5	164.4	39.9	0	0	0	0	107	E290 S294	E290-T292 PolarHBondContact O-N 3.27Å; T292-S294 PolarHBondContact O-N 3.03Å
293	A	38	Very low	39.5	Very low	97 Å²	97	135.9 Å²	135.9	80%	0.802	83%	0.827	S	S	*	*			trans	-69.6	112.2	160.6	0	0	0	0	0	107.6	L291	L291-A293 PolarHBondContact O-N 3.14Å
294	S	39	Very low	37	Very low	192 Å²	192	135.7 Å²	135.7	100%	1.343	84%	0.843	S	S	*	*			trans	-134.2	0	157.6	-70.9	0	0	0	0	108.1	T292	T292-S294 PolarHBondContact O-N 3.03Å

Retrieved 294 of 294 residues in 385.6 ms (Link to these results)

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