A0A087XYS9_POEFO Loading...

sn-1-specific diacylglycerol lipase ABHD11

AlphaFold DB (A0A3B3UN63), UniProt , Accession A0A087XYS9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 304 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	36.8	Very low	31.1	Very low	238 Å²	238	162.8 Å²	162.8	100%	1.172	87%	0.865	S	S	*	*				0	75.5	0	-76	175.1	125.2	0	0	107.6
2	I	30.4	Very low	31.3	Very low	160 Å²	160	163.6 Å²	163.6	82%	0.821	87%	0.868	S	S	*	*				35.6	102.6	100.5	-48.7	178.6	0	0	0	113
3	A	29.8	Very low	31.2	Very low	106 Å²	106	159.7 Å²	159.7	88%	0.876	86%	0.857	S	S	*	*			trans	-135.7	91.4	151.4	0	0	0	0	0	107.8
4	L	29.4	Very low	31.2	Very low	134 Å²	134	156.1 Å²	156.1	70%	0.702	85%	0.851	S	S	*	*			trans	-79.1	115.5	175	-138.7	85.7	0	0	0	107.6	R6	L4-R6 HydrophobicContact CD2-CG 4.48Å; L4-R6 PolarHBondContact O-N 3.44Å
5	C	29	Very low	31.3	Very low	132 Å²	132	156.3 Å²	156.3	89%	0.892	85%	0.848	S	S	*	*			trans	-91.1	100.1	172.2	-113.2	0	0	0	0	109.5
6	R	29	Very low	31.5	Very low	216 Å²	216	160.9 Å²	160.9	82%	0.815	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-84.8	122.1	169.4	-74.7	-178.1	174.6	-162.4	-1.8	109.2	L4	L4-R6 HydrophobicContact CD2-CG 4.48Å; L4-R6 PolarHBondContact O-N 3.44Å
7	L	33	Very low	31.6	Very low	172 Å²	172	158.5 Å²	158.5	90%	0.901	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-86.3	131.9	167	-99.1	102.2	0	0	0	110.9
8	V	33.4	Very low	31.6	Very low	124 Å²	124	155.8 Å²	155.8	75%	0.752	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-89.4	127.1	-177.1	173.6	0	0	0	0	109.7
9	H	31.6	Very low	31.4	Very low	194 Å²	194	153.5 Å²	153.5	90%	0.898	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-66.2	128.2	167.4	-94.2	-30.6	0	0	0	111
10	R	32.1	Very low	31.4	Very low	239 Å²	239	156.8 Å²	156.8	90%	0.902	84%	0.836	S	S	*	*			trans	-121.5	122.2	159.7	-79.3	-169.8	172.7	-168.7	-1	109.1
11	G	27.6	Very low	31.4	Very low	76 Å²	76	157.2 Å²	157.2	78%	0.784	84%	0.838	S	S	*	*			trans	-75.6	154.1	179.2	0	0	0	0	0	113.2
12	L	33.3	Very low	31.2	Very low	172 Å²	172	154.7 Å²	154.7	90%	0.901	82%	0.821	S	S	*	*			trans	-139.8	157.3	165.6	-80.2	172.8	0	0	0	108.9
13	P	29.8	Very low	31.4	Very low	113 Å²	113	152.3 Å²	152.3	73%	0.734	83%	0.825	S	S	*	*			trans	-86	154.4	-147.8	9.2	4.6	0	0	0	115.3	I15	P13-I15 PolarHBondContact O-N 3.46Å
14	S	31.5	Very low	31.4	Very low	110 Å²	110	150.4 Å²	150.4	77%	0.769	82%	0.815	S	S	*	*			trans	-56.1	119.6	171.8	141.5	0	0	0	0	112.6
15	I	32.9	Very low	31.6	Very low	158 Å²	158	152.9 Å²	152.9	81%	0.81	82%	0.824	S	S	*	*			trans	-119.2	113.4	160.9	-60.4	176.1	0	0	0	107.1	P13	P13-I15 PolarHBondContact O-N 3.46Å
16	R	34.1	Very low	32	Very low	231 Å²	231	153.6 Å²	153.6	87%	0.872	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-80.8	129.3	170.7	-74.2	-178.5	173.9	-170.9	-2.1	109.6
17	P	33.6	Very low	32.3	Very low	119 Å²	119	150.5 Å²	150.5	77%	0.773	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-99.8	141.7	154.4	20	-2.6	0	0	0	110.7
18	S	31.4	Very low	32.5	Very low	110 Å²	110	146.9 Å²	146.9	77%	0.769	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-58.7	136.8	-178.6	57.7	0	0	0	0	113.4	R20	S18-R20 PolarHBondContact O-N 3.39Å
19	C	27.5	Very low	32.7	Very low	113 Å²	113	145.1 Å²	145.1	76%	0.764	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-62.2	118.9	169	-161.6	0	0	0	0	110.9
20	R	32.5	Very low	33	Very low	218 Å²	218	141.4 Å²	141.4	82%	0.823	81%	0.809	S	S	*	*			trans	-118.3	106.8	156.6	-80.5	-170.8	-178.5	-159.9	1.1	107.3	S18 F22	S18-R20 PolarHBondContact O-N 3.39Å; R20-F22 PolarHBondContact O-N 3.21Å
21	L	30.3	Very low	33	Very low	167 Å²	167	135.7 Å²	135.7	87%	0.874	80%	0.803	S	S	*	*			trans	-67	107.3	171.9	-79	151.3	0	0	0	108.8
22	F	33.4	Very low	33.6	Very low	185 Å²	185	138.5 Å²	138.5	81%	0.811	81%	0.805	S	S	*	*			trans	-95.5	119.4	156	-87.5	-85.9	0	0	0	107.2	R20 G24	R20-F22 PolarHBondContact O-N 3.21Å; F22-G24 VanDerWaalsContact C-N 3.3Å; F22-G24 PolarHBondContact O-N 2.95Å
23	A	33.9	Very low	34	Very low	110 Å²	110	140.4 Å²	140.4	91%	0.909	80%	0.8	S	S	*	*			trans	-68.7	90.6	169.1	0	0	0	0	0	108.4
24	G	30.4	Very low	34.4	Very low	65 Å²	65	141.1 Å²	141.1	67%	0.67	80%	0.803	S	S	*	*			trans	-82.7	128.6	168.2	0	0	0	0	0	109.5	F22 V26	F22-G24 VanDerWaalsContact C-N 3.3Å; F22-G24 PolarHBondContact O-N 2.95Å; G24-V26 PolarHBondContact O-N 3.14Å
25	Q	33.5	Very low	35	Very low	187 Å²	187	140 Å²	140	87%	0.874	80%	0.8	S	S	*	*			trans	-47.3	121.8	166.2	-96.4	161.7	-61.2	0	0	109.6	D27	Q25-D27 PolarHBondContact O-N 3.26Å; Q25-D27 VanDerWaalsContact O-N 3.13Å
26	V	36.4	Very low	35.7	Very low	146 Å²	146	136.3 Å²	136.3	89%	0.885	79%	0.788	S	S	*	*			trans	-71.1	102.2	167.4	-122.1	0	0	0	0	106.1	G24 A28	G24-V26 PolarHBondContact O-N 3.14Å; V26-A28 PolarHBondContact O-N 2.76Å
27	D	36	Very low	36.5	Very low	152 Å²	152	131 Å²	131	81%	0.813	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-58.7	120.8	167.2	-79.3	-36.5	0	0	0	108	Q25 A29	Q25-D27 PolarHBondContact O-N 3.26Å; Q25-D27 VanDerWaalsContact O-N 3.13Å; D27-A29 PolarHBondContact O-N 3.35Å
28	A	37.2	Very low	38.1	Very low	96 Å²	96	126.5 Å²	126.5	79%	0.793	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-57.8	129.6	176.7	0	0	0	0	0	109.1	V26	V26-A28 PolarHBondContact O-N 2.76Å
29	A	37.8	Very low	40.8	Very low	87 Å²	87	126.2 Å²	126.2	72%	0.719	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-52.3	140.2	170.6	0	0	0	0	0	109.5	D27	D27-A29 PolarHBondContact O-N 3.35Å
30	P	37.2	Very low	44.1	Very low	115 Å²	115	123.5 Å²	123.5	75%	0.747	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-58.4	147.4	177.8	25.1	-32.1	0	0	0	109.4	V32	P30-V32 PolarHBondContact O-N 3.21Å
31	P	33.2	Very low	47.2	Very low	119 Å²	119	114.4 Å²	114.4	77%	0.773	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-58.8	129.8	-177.1	23.8	-31.7	0	0	0	109.6	R33	P31-R33 PolarHBondContact O-N 2.78Å
32	V	39.6	Very low	50.4	Low	135 Å²	135	111.1 Å²	111.1	82%	0.818	69%	0.689	S	S	*	*			trans	-54.7	108.1	166.7	176.8	0	0	0	0	106.4	P30 T34	P30-V32 PolarHBondContact O-N 3.21Å; V32-T34 PolarHBondContact O-N 3.13Å
33	R	41.3	Very low	53.5	Low	212 Å²	212	102.9 Å²	102.9	80%	0.8	65%	0.653	S	S	*	*			trans	-62	106.4	171.1	-78.1	-177.2	165.4	-164.9	-4.3	106.6	P31 A35	P31-R33 PolarHBondContact O-N 2.78Å; R33-A35 PolarHBondContact O-N 3.35Å
34	T	39.4	Very low	56.6	Low	129 Å²	129	99.6 Å²	99.6	79%	0.791	62%	0.622	S	S	*	*			trans	-52.9	124.5	165.1	44.2	0	0	0	0	107.6	V32 S36	V32-T34 PolarHBondContact O-N 3.13Å; T34-S36 PolarHBondContact O-N 3.5Å
35	A	43.6	Very low	59.9	Low	86 Å²	86	100.4 Å²	100.4	71%	0.711	61%	0.605	S	S	*	*			trans	-46.7	115.9	-179.7	0	0	0	0	0	109.9	R33 S37	R33-A35 PolarHBondContact O-N 3.35Å; A35-S37 PolarHBondContact O-N 3.46Å
36	S	46.3	Very low	63	Low	81 Å²	81	94 Å²	94	57%	0.566	58%	0.577	S	S	*	*			trans	-58.5	120.5	166.2	39.8	0	0	0	0	106.8	T34 S38 E101	T34-S36 PolarHBondContact O-N 3.5Å; S36-S38 PolarHBondContact O-N 2.95Å; S36-E101 PolarHBondContact OG-OE1 3.32Å
37	S	52.8	Low	65.9	Low	120 Å²	120	89.9 Å²	89.9	84%	0.839	55%	0.552	S	S	*	*			trans	-71.9	79	173.5	61.9	0	0	0	0	108.5	A35 S39	A35-S37 PolarHBondContact O-N 3.46Å; S37-S39 PolarHBondContact O-N 3.32Å
38	S	66.8	Low	68.9	Low	23 Å²	23	84.1 Å²	84.1	16%	0.161	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-63.7	128.9	170.6	90.1	0	0	0	0	108.8	S36 E101 A106	S36-S38 PolarHBondContact O-N 2.95Å; S38-E101 WeakPolarHBondContact CB-OE1 3.09Å; S38-E101 WeakPolarHBondContact CB-OE2 3.45Å; S38-A106 WeakPolarHBondContact OG-CB 3.09Å
39	S	87.9	Confident	71.6	Confident	104 Å²	104	85 Å²	85	73%	0.727	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-63.5	133.8	167.3	-63.8	0	0	0	0	109.2	S37	S37-S39 PolarHBondContact O-N 3.32Å
40	P	96.1	Very high	74.1	Confident	57 Å²	57	81.9 Å²	81.9	37%	0.37	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-62.7	148.4	176.4	27	-34.1	0	0	0	110.8	D110 H113	P40-D110 WeakPolarHBondContact CA-OD1 3.44Å; P40-H113 HydrophobicContact CB-CB 3.63Å; P40-H113 HydrophobicContact CG-CB 3.94Å
41	V	97.7	Very high	76.4	Confident	27 Å²	27	86.7 Å²	86.7	16%	0.164	50%	0.496	C	S	.	.	P	Polyproline II helix	trans	-100.5	155.3	175.1	-59.9	0	0	0	0	111.1	L43 R91 P97 D110	V41-L43 HydrophobicContact CG2-CD2 3.9Å; V41-L43 PolarHBondContact O-N 3.43Å; V41-L43 VanDerWaalsContact O-N 3.12Å; V41-R91 HydrophobicContact CG2-CB 3.96Å; V41-P97 HydrophobicContact CB-CB 4.32Å; V41-P97 HydrophobicContact CB-CG 4.2Å; V41-D110 PolarHBondContact N-OD1 3.38Å
42	N	98.3	Very high	78.3	Confident	97 Å²	97	82.7 Å²	82.7	52%	0.519	48%	0.477	S	S	.	.			trans	-74.9	102	173.6	-67.8	-39.2	0	0	0	109.3	P97 H113 Q117	N42-P97 WeakPolarHBondContact O-CD 3.4Å; N42-H113 PolarHBondContact OD1-NE2 2.8Å; N42-Q117 PolarHBondContact OD1-NE2 2.84Å
43	L	98.7	Very high	80.3	Confident	13 Å²	13	86 Å²	86	7%	0.068	48%	0.483	C	S	.	.			trans	-70.9	143.8	177.4	-60.7	-178.8	0	0	0	111.2	V41 Y45 V88 R91 S96 D110 L114	V41-L43 HydrophobicContact CG2-CD2 3.9Å; V41-L43 PolarHBondContact O-N 3.43Å; V41-L43 VanDerWaalsContact O-N 3.12Å; L43-Y45 WeakPolarHBondContact O-CD1 3.43Å; L43-V88 HydrophobicContact CB-CG1 4.01Å; L43-V88 HydrophobicContact CD1-CG1 3.68Å; L43-V88 HydrophobicContact CG-CG1 4.47Å; L43-R91 HydrophobicContact CD2-CB 4.49Å; L43-S96 WeakPolarHBondContact CA-OG 3.47Å; L43-D110 HydrophobicContact CD1-CB 3.64Å; L43-D110 HydrophobicContact CD2-CB 3.9Å; L43-D110 HydrophobicContact CG-CB 3.77Å; L43-L114 HydrophobicContact CB-CD2 4.23Å; L43-L114 HydrophobicContact CD1-CD2 4.31Å
44	T	98.7	Very high	82.7	Confident	41 Å²	41	78.9 Å²	78.9	25%	0.252	47%	0.466	S	S	.	.			trans	-84.7	140.6	168.1	-66.7	0	0	0	0	109.9	K67 D89 N95 S96	T44-K67 HydrophobicContact CG2-CD 4.36Å; T44-D89 PolarHBondContact O-N 3.24Å; T44-N95 HydrophobicContact CG2-CB 3.86Å; T44-N95 PolarHBondContact OG1-O 3.32Å; T44-S96 PolarHBondContact N-OG 2.78Å
45	Y	98.8	Very high	85.4	Confident	82 Å²	82	74 Å²	74	32%	0.322	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	166	-179.3	59.1	-80.9	0	0	0	110.5	L43 V47 K67 T87 L114 L118	L43-Y45 WeakPolarHBondContact O-CD1 3.43Å; Y45-V47 HydrophobicContact CD2-CG2 3.67Å; Y45-V47 HydrophobicContact CE2-CG2 3.58Å; Y45-K67 PolarHBondContact O-NZ 2.84Å; Y45-K67 VanDerWaalsContact O-NZ 3.07Å; Y45-T87 CarbonylContact C-O 3.57Å; Y45-T87 WeakPolarHBondContact CA-O 3.36Å; Y45-T87 WeakPolarHBondContact CB-O 3.31Å; Y45-L114 HydrophobicContact CD1-CD1 3.32Å; Y45-L114 HydrophobicContact CD1-CD2 4.29Å; Y45-L114 HydrophobicContact CD1-CG 4.44Å; Y45-L114 HydrophobicContact CE1-CD1 3.4Å; Y45-L114 VanDerWaalsContact CE1-CD1 3.4Å; Y45-L114 HydrophobicContact CG-CD1 4.11Å; Y45-L118 HydrophobicContact CD2-CD1 4.27Å; Y45-L118 HydrophobicContact CE1-CD1 4.46Å; Y45-L118 HydrophobicContact CE2-CD1 3.84Å; Y45-L118 HydrophobicContact CE2-CD2 4.04Å; Y45-L118 VanDerWaalsContact OH-CD2 3.27Å; Y45-L118 WeakPolarHBondContact OH-CD2 3.41Å
46	D	98.7	Very high	88	Confident	52 Å²	52	70.7 Å²	70.7	28%	0.278	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.6	165.7	-69.2	-33.5	0	0	0	108.9	F48 K67 H71 L86 T87	D46-F48 HydrophobicContact CB-CE2 4.02Å; D46-F48 HydrophobicContact CB-CZ 4.47Å; D46-K67 HydrophobicContact CB-CD 4.35Å; D46-K67 IonicContact OD1-NZ 3.6Å; D46-K67 PolarHBondContact OD1-NZ 3.35Å; D46-K67 WeakPolarHBondContact OD2-CD 3.39Å; D46-K67 WeakPolarHBondContact OD2-CE 3.36Å; D46-K67 IonicContact OD2-NZ 3.42Å; D46-K67 PolarHBondContact OD2-NZ 2.84Å; D46-K67 VanDerWaalsContact OD2-NZ 3.17Å; D46-H71 IonicContact OD2-CE1 2.66Å; D46-H71 PolarHBondContact OD2-CE1 2.77Å; D46-H71 VanDerWaalsContact OD2-CE1 3.31Å; D46-H71 IonicContact OD2-NE2 3.44Å; D46-H71 PolarHBondContact OD2-NE2 2.88Å; D46-L86 WeakPolarHBondContact O-CA 3.28Å; D46-T87 PolarHBondContact N-O 3.19Å; D46-T87 PolarHBondContact O-N 3.25Å
47	V	98.3	Very high	90.4	Very high	59 Å²	59	66.9 Å²	66.9	36%	0.358	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	132.1	178.6	-175.4	0	0	0	0	109.4	Y45 K84 L86	Y45-V47 HydrophobicContact CD2-CG2 3.67Å; Y45-V47 HydrophobicContact CE2-CG2 3.58Å; V47-K84 HydrophobicContact CG1-CD 4.12Å; V47-K84 HydrophobicContact CG1-CG 4.07Å; V47-L86 HydrophobicContact CG2-CG 4.48Å
48	F	98.1	Very high	92.6	Very high	32 Å²	32	61.1 Å²	61.1	14%	0.14	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	103.1	170.4	-57.6	-97.4	0	0	0	107.2	D46 G50 H71 A74 K75 V78 K84 V85 T87	D46-F48 HydrophobicContact CB-CE2 4.02Å; D46-F48 HydrophobicContact CB-CZ 4.47Å; F48-G50 PolarHBondContact O-N 3Å; F48-H71 AromaticContact CE2-CD2 3.91Å; F48-H71 HydrophobicContact CZ-CB 4.1Å; F48-H71 AromaticContact CZ-CD2 3.52Å; F48-H71 AromaticContact CZ-CG 3.78Å; F48-A74 HydrophobicContact CD1-CB 4.32Å; F48-A74 HydrophobicContact CD2-CB 3.59Å; F48-A74 HydrophobicContact CE2-CB 3.83Å; F48-A74 HydrophobicContact CG-CB 3.88Å; F48-A74 HydrophobicContact CZ-CB 4.3Å; F48-K75 HydrophobicContact CD1-CG 3.78Å; F48-K75 HydrophobicContact CE1-CD 4.48Å; F48-K75 HydrophobicContact CE1-CG 3.84Å; F48-V78 HydrophobicContact CB-CG2 3.65Å; F48-V78 WeakPolarHBondContact O-CG2 3.38Å; F48-K84 WeakPolarHBondContact O-CA 3.22Å; F48-V85 HydrophobicContact CB-CB 4.29Å; F48-V85 PolarHBondContact N-O 3.04Å; F48-V85 PolarHBondContact O-N 3.43Å; F48-T87 HydrophobicContact CE2-CG2 4.04Å
49	D	94.8	Very high	94.2	Very high	114 Å²	114	60 Å²	60	61%	0.61	33%	0.333	S	S	*	.			trans	-70.8	129.5	-174.4	-73.5	-57.9	0	0	0	112.1	V78 K84	D49-V78 WeakPolarHBondContact O-CG1 3.49Å; D49-K84 WeakPolarHBondContact OD1-CE 3.38Å
50	G	89.2	Confident	94.7	Very high	21 Å²	21	55.7 Å²	55.7	22%	0.216	30%	0.302	C	S	.	.			trans	-97.6	161.3	169.3	0	0	0	0	0	111.3	F48 G82	F48-G50 PolarHBondContact O-N 3Å; G50-G82 CarbonylContact C-O 3.56Å; G50-G82 VanDerWaalsContact C-O 3.27Å; G50-G82 WeakPolarHBondContact CA-O 3.29Å
51	K	85.3	Confident	94.8	Very high	216 Å²	216	53.1 Å²	53.1	94%	0.939	28%	0.284	S	S	*	.	S	Bend	trans	-86.5	-7.5	176.3	-64	-176.1	179.3	-178.7	0	113.5	G82	K51-G82 PolarHBondContact N-O 2.8Å
52	G	74.4	Confident	94.8	Very high	35 Å²	35	52 Å²	52	36%	0.361	28%	0.279	S	S	.	.	S	Bend	trans	-95.5	155.5	-176.4	0	0	0	0	0	113.3	S54 G82	G52-S54 VanDerWaalsContact C-N 3.34Å; G52-G82 WeakPolarHBondContact CA-O 3.49Å; G52-G82 PolarHBondContact N-O 2.98Å
53	E	82	Confident	94.7	Very high	204 Å²	204	47.8 Å²	47.8	95%	0.953	26%	0.256	S	S	*	.			trans	-91.1	4.5	177	-59.8	-174.3	164.6	0	0	113.1
54	S	91.6	Very high	94.7	Very high	64 Å²	64	47.1 Å²	47.1	45%	0.448	25%	0.253	S	S	.	.	S	Bend	trans	-65.8	159.1	177.9	-53	0	0	0	0	112	G52	G52-S54 VanDerWaalsContact C-N 3.34Å
55	T	94.9	Very high	94.6	Very high	26 Å²	26	45.2 Å²	45.2	16%	0.16	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-53.3	134.6	176.4	48.4	0	0	0	0	111.8	R83 K122 E147	T55-R83 PolarHBondContact O-NH1 3.5Å; T55-R83 PolarHBondContact OG1-NH1 3.07Å; T55-K122 HydrophobicContact CG2-CB 4.22Å; T55-E147 WeakPolarHBondContact CB-OE2 3.37Å; T55-E147 WeakPolarHBondContact CG2-OE2 3.28Å; T55-E147 PolarHBondContact OG1-OE1 3.47Å; T55-E147 PolarHBondContact OG1-OE2 2.92Å
56	P	97.8	Very high	94.6	Very high	17 Å²	17	41.7 Å²	41.7	11%	0.11	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-67.9	152.6	-177.5	28.1	-35	0	0	0	111.4	K84 L86 I120 K122 C123 V124	P56-K84 CarbonylContact C-O 3.56Å; P56-K84 VanDerWaalsContact CA-O 3.27Å; P56-K84 WeakPolarHBondContact CA-O 3.47Å; P56-K84 HydrophobicContact CB-CB 4.15Å; P56-K84 HydrophobicContact CB-CD 4.45Å; P56-K84 HydrophobicContact CB-CG 4.37Å; P56-L86 HydrophobicContact CB-CD1 3.84Å; P56-I120 HydrophobicContact CG-CD1 4.07Å; P56-I120 HydrophobicContact CG-CG1 4.3Å; P56-I120 HydrophobicContact CG-CG2 3.62Å; P56-K122 WeakPolarHBondContact CD-O 3.22Å; P56-C123 HydrophobicContact CG-CB 4.06Å; P56-C123 WeakPolarHBondContact O-CA 3.21Å; P56-C123 WeakPolarHBondContact O-CB 3.46Å; P56-V124 PolarHBondContact O-N 3.43Å
57	L	98.8	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.8	170.3	-49.1	-174.9	0	0	0	108.7	F59 L77 R83 K84 V85 L86 V124 I126 L302	L57-F59 HydrophobicContact CB-CE2 4.24Å; L57-L77 HydrophobicContact CD1-CB 4.16Å; L57-L77 HydrophobicContact CD1-CD1 3.94Å; L57-L77 HydrophobicContact CD1-CD2 4.38Å; L57-L77 HydrophobicContact CD1-CG 4.4Å; L57-R83 HydrophobicContact CG-CB 4.23Å; L57-K84 PolarHBondContact N-O 3.36Å; L57-V85 HydrophobicContact CB-CG1 4.3Å; L57-V85 HydrophobicContact CB-CG2 4.13Å; L57-V85 HydrophobicContact CD1-CG2 4.09Å; L57-V85 HydrophobicContact CG-CG2 4.32Å; L57-V85 CarbonylContact O-C 3.36Å; L57-V85 WeakPolarHBondContact O-CA 3.41Å; L57-L86 PolarHBondContact O-N 3.24Å; L57-V124 HydrophobicContact CD2-CB 3.67Å; L57-V124 HydrophobicContact CD2-CG1 4.11Å; L57-V124 HydrophobicContact CD2-CG2 3.97Å; L57-I126 HydrophobicContact CB-CD1 3.8Å; L57-I126 HydrophobicContact CD2-CD1 4.38Å; L57-L302 HydrophobicContact CD1-CD1 4.08Å; L57-L302 HydrophobicContact CD2-CD1 3.9Å; L57-L302 HydrophobicContact CD2-CD2 3.97Å
58	V	98.9	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	116.9	179.9	-176.8	0	0	0	0	109.3	L60 L86 V88 L111 L115 C123 V124 L125 I126	V58-L60 HydrophobicContact CG1-CD2 4.28Å; V58-L86 WeakPolarHBondContact CA-O 3.44Å; V58-L86 HydrophobicContact CG1-CB 4.39Å; V58-L86 HydrophobicContact CG2-CB 4.25Å; V58-L86 HydrophobicContact CG2-CD1 4.46Å; V58-V88 HydrophobicContact CG1-CG2 3.87Å; V58-L111 HydrophobicContact CG1-CD1 4.08Å; V58-L115 HydrophobicContact CG2-CD2 4.11Å; V58-C123 HydrophobicContact CG2-CB 3.79Å; V58-V124 PolarHBondContact N-O 3.48Å; V58-L125 HydrophobicContact CB-CD2 3.94Å; V58-L125 HydrophobicContact CG1-CD2 4.31Å; V58-I126 PolarHBondContact O-N 2.95Å
59	F	98.9	Very high	94.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.2	-177.5	-83	-97.7	0	0	0	112.2	L57 F70 I73 L77 V85 L86 T87 V88 I126 F294 I298	L57-F59 HydrophobicContact CB-CE2 4.24Å; F59-F70 HydrophobicContact CB-CB 4.3Å; F59-F70 HydrophobicContact CB-CD2 3.7Å; F59-F70 HydrophobicContact CB-CE2 4.18Å; F59-F70 HydrophobicContact CB-CG 4.05Å; F59-F70 HydrophobicContact CD1-CB 4.05Å; F59-F70 AromaticContact CD1-CD1 3.57Å; F59-F70 HydrophobicContact CD1-CD1 3.57Å; F59-F70 AromaticContact CD1-CD2 3.91Å; F59-F70 HydrophobicContact CD1-CD2 3.91Å; F59-F70 AromaticContact CD1-CE1 3.91Å; F59-F70 HydrophobicContact CD1-CE1 3.91Å; F59-F70 HydrophobicContact CD1-CE2 4.19Å; F59-F70 AromaticContact CD1-CG 3.56Å; F59-F70 HydrophobicContact CD1-CG 3.56Å; F59-F70 HydrophobicContact CD1-CZ 4.2Å; F59-F70 HydrophobicContact CE1-CD1 4Å; F59-F70 HydrophobicContact CE1-CE1 4.38Å; F59-F70 HydrophobicContact CE1-CG 4.34Å; F59-F70 HydrophobicContact CG-CB 4.21Å; F59-F70 HydrophobicContact CG-CD1 4.48Å; F59-F70 HydrophobicContact CG-CD2 4.18Å; F59-F70 HydrophobicContact CG-CG 4.05Å; F59-I73 HydrophobicContact CE1-CG2 4.23Å; F59-I73 HydrophobicContact CZ-CG2 4.06Å; F59-L77 HydrophobicContact CE2-CD1 3.63Å; F59-L77 HydrophobicContact CZ-CD1 3.45Å; F59-L77 VanDerWaalsContact CZ-CD1 3.45Å; F59-V85 HydrophobicContact CD2-CG1 3.63Å; F59-V85 HydrophobicContact CE2-CG1 3.82Å; F59-L86 PolarHBondContact N-O 3.23Å; F59-T87 HydrophobicContact CB-CG2 4.11Å; F59-V88 PolarHBondContact O-N 3.36Å; F59-V88 VanDerWaalsContact O-N 3.09Å; F59-I126 CarbonylContact C-O 3.47Å; F59-I126 VanDerWaalsContact CA-O 3.29Å; F59-I126 WeakPolarHBondContact CA-O 3.46Å; F59-I126 HydrophobicContact CD1-CB 4.04Å; F59-I126 HydrophobicContact CD1-CG2 3.89Å; F59-I126 HydrophobicContact CD2-CD1 4.26Å; F59-I126 HydrophobicContact CE1-CB 3.93Å; F59-I126 HydrophobicContact CE1-CG2 3.53Å; F59-I126 HydrophobicContact CE2-CB 4.44Å; F59-I126 HydrophobicContact CE2-CD1 3.88Å; F59-I126 HydrophobicContact CE2-CG1 4.46Å; F59-I126 HydrophobicContact CG-CB 4.35Å; F59-I126 HydrophobicContact CZ-CB 4.13Å; F59-I126 HydrophobicContact CZ-CD1 4.15Å; F59-I126 HydrophobicContact CZ-CG1 4.25Å; F59-I126 HydrophobicContact CZ-CG2 4.04Å; F59-F294 HydrophobicContact CE1-CE1 4.13Å; F59-F294 HydrophobicContact CE1-CZ 4.27Å; F59-I298 HydrophobicContact CE1-CD1 4.41Å; F59-I298 HydrophobicContact CZ-CD1 4.11Å
60	L	98.9	Very high	94.5	Very high	13 Å²	13	35.8 Å²	35.8	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	122.7	176.9	-49.6	179.3	0	0	0	109.8	V58 V88 L111 I126 G127 H128 T134 A135	V58-L60 HydrophobicContact CG1-CD2 4.28Å; L60-V88 HydrophobicContact CD2-CB 4.16Å; L60-V88 HydrophobicContact CD2-CG2 4.42Å; L60-L111 HydrophobicContact CD1-CD2 3.93Å; L60-L111 HydrophobicContact CD2-CD1 4.25Å; L60-L111 HydrophobicContact CD2-CD2 4.42Å; L60-I126 PolarHBondContact N-O 3.34Å; L60-G127 WeakPolarHBondContact O-CA 3.5Å; L60-H128 PolarHBondContact O-N 3.43Å; L60-T134 HydrophobicContact CD1-CG2 3.98Å; L60-A135 HydrophobicContact CD1-CB 4.06Å
61	H	98.7	Very high	95	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.009	20%	0.202	C	C	.	.			trans	-81.7	162.9	-175.8	68.2	71.9	0	0	0	113.4	G65 S66 F70 V88 A90 H93 H128 G131	H61-G65 PolarHBondContact CE1-O 3.3Å; H61-G65 VanDerWaalsContact CE1-O 3.27Å; H61-G65 VanDerWaalsContact ND1-C 3.31Å; H61-G65 PolarHBondContact ND1-O 2.89Å; H61-S66 VanDerWaalsContact CD2-C 3.42Å; H61-S66 WeakPolarHBondContact CD2-CA 3.34Å; H61-F70 HydrophobicContact CB-CE2 3.8Å; H61-V88 PolarHBondContact CD2-O 3.04Å; H61-A90 PolarHBondContact NE2-N 2.89Å; H61-H93 VanDerWaalsContact CE1-CB 3.43Å; H61-H93 WeakPolarHBondContact CE1-CB 3.2Å; H61-H93 AromaticContact CE1-CD2 3.63Å; H61-H93 AromaticContact CE1-CG 3.52Å; H61-H128 CarbonylContact C-O 3.46Å; H61-G131 WeakPolarHBondContact O-CA 3.12Å; H61-G131 PolarHBondContact O-N 3.26Å; H61-G131 VanDerWaalsContact O-N 3.09Å
62	G	97.4	Very high	95.6	Very high	5 Å²	5	31.8 Å²	31.8	5%	0.052	19%	0.19	C	C	.	.			trans	-77.1	175.9	173.5	0	0	0	0	0	113.8	F64 G65 H128	G62-F64 PolarHBondContact O-N 2.97Å; G62-G65 WeakPolarHBondContact O-CA 3.35Å; G62-G65 PolarHBondContact O-N 3.07Å; G62-H128 VanDerWaalsContact CA-O 3.24Å; G62-H128 WeakPolarHBondContact CA-O 3.42Å; G62-H128 PolarHBondContact N-O 2.94Å
63	L	97.1	Very high	96.7	Very high	7 Å²	7	30.5 Å²	30.5	4%	0.037	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	136.8	177.2	-175.8	64.6	0	0	0	110.9	G65 M130 F165 I227 L231 I234	L63-G65 PolarHBondContact O-N 2.95Å; L63-G65 VanDerWaalsContact O-N 3.15Å; L63-M130 HydrophobicContact CB-CB 4.36Å; L63-M130 HydrophobicContact CB-SD 4.47Å; L63-M130 HydrophobicContact CD1-SD 4.12Å; L63-F165 HydrophobicContact CB-CE1 4.43Å; L63-F165 HydrophobicContact CB-CZ 4.4Å; L63-F165 HydrophobicContact CD2-CB 4.36Å; L63-F165 HydrophobicContact CD2-CD1 3.76Å; L63-F165 HydrophobicContact CD2-CD2 4.15Å; L63-F165 HydrophobicContact CD2-CE1 4Å; L63-F165 HydrophobicContact CD2-CE2 4.39Å; L63-F165 HydrophobicContact CD2-CG 3.85Å; L63-F165 HydrophobicContact CD2-CZ 4.32Å; L63-F165 HydrophobicContact CG-CE1 4.45Å; L63-I227 HydrophobicContact CD1-CD1 4.18Å; L63-I227 HydrophobicContact CD1-CG1 4.27Å; L63-I227 HydrophobicContact CD1-CG2 3.91Å; L63-L231 HydrophobicContact CD2-CD1 4.5Å; L63-I234 HydrophobicContact CD1-CD1 4.42Å; L63-I234 HydrophobicContact CD2-CG2 4.46Å
64	F	97.1	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	3.4	-171.9	-49	-47.4	0	0	0	116.1	G62 H93 F165 I169 M172 F206 L207 N210 V222 L224 I227	G62-F64 PolarHBondContact O-N 2.97Å; F64-H93 PolarHBondContact N-CD2 2.9Å; F64-H93 PolarHBondContact N-NE2 3.41Å; F64-H93 VanDerWaalsContact N-NE2 3.14Å; F64-F165 HydrophobicContact CD2-CD1 4.06Å; F64-F165 AromaticContact CD2-CE1 3.95Å; F64-F165 HydrophobicContact CD2-CE1 3.95Å; F64-F165 AromaticContact CE2-CD1 3.62Å; F64-F165 HydrophobicContact CE2-CD1 3.62Å; F64-F165 HydrophobicContact CE2-CE1 4Å; F64-I169 HydrophobicContact CE1-CG1 4.42Å; F64-I169 HydrophobicContact CZ-CD1 4.4Å; F64-I169 HydrophobicContact CZ-CG1 3.66Å; F64-M172 HydrophobicContact CE1-SD 4.38Å; F64-M172 HydrophobicContact CZ-SD 4.25Å; F64-F206 HydrophobicContact CB-CE1 3.86Å; F64-F206 HydrophobicContact CB-CZ 4.31Å; F64-L207 HydrophobicContact CB-CD2 4.2Å; F64-L207 HydrophobicContact CD2-CD2 3.29Å; F64-L207 HydrophobicContact CE2-CD2 3.69Å; F64-L207 HydrophobicContact CG-CD2 3.89Å; F64-N210 PolarHBondContact O-ND2 3.5Å; F64-V222 HydrophobicContact CD1-CG1 4.38Å; F64-V222 HydrophobicContact CD1-CG2 4.11Å; F64-V222 HydrophobicContact CE1-CG2 4.42Å; F64-L224 HydrophobicContact CE1-CD2 4.02Å; F64-I227 HydrophobicContact CD1-CD1 4.27Å; F64-I227 HydrophobicContact CE1-CD1 4.06Å; F64-I227 HydrophobicContact CE1-CG2 4.1Å; F64-I227 HydrophobicContact CZ-CG2 4.48Å
65	G	97.1	Very high	97.8	Very high	1 Å²	1	24 Å²	24	1%	0.01	14%	0.136	C	C	.	.			trans	-79.3	-176.4	172.8	0	0	0	0	0	113.1	H61 G62 L63 N69	H61-G65 PolarHBondContact CE1-O 3.3Å; H61-G65 VanDerWaalsContact CE1-O 3.27Å; H61-G65 VanDerWaalsContact ND1-C 3.31Å; H61-G65 PolarHBondContact ND1-O 2.89Å; G62-G65 WeakPolarHBondContact O-CA 3.35Å; G62-G65 PolarHBondContact O-N 3.07Å; L63-G65 PolarHBondContact O-N 2.95Å; L63-G65 VanDerWaalsContact O-N 3.15Å; G65-N69 WeakPolarHBondContact CA-OD1 3.4Å
66	S	98.2	Very high	98	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.049	14%	0.138	C	C	.	.			trans	-153.7	169.5	170.6	65.9	0	0	0	0	110.1	H61 S68 N69 D89	H61-S66 VanDerWaalsContact CD2-C 3.42Å; H61-S66 WeakPolarHBondContact CD2-CA 3.34Å; S66-S68 PolarHBondContact O-N 2.85Å; S66-S68 PolarHBondContact OG-OG 3.11Å; S66-N69 PolarHBondContact N-OD1 2.72Å; S66-N69 WeakPolarHBondContact O-CB 3.36Å; S66-N69 PolarHBondContact O-N 2.88Å; S66-N69 PolarHBondContact O-OD1 3.21Å; S66-D89 WeakPolarHBondContact CA-OD1 3.36Å; S66-D89 VanDerWaalsContact CB-OD1 3.3Å; S66-D89 WeakPolarHBondContact CB-OD1 3.26Å
67	K	98	Very high	98	Very high	21 Å²	21	23.3 Å²	23.3	9%	0.091	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-50.9	-31.1	174.8	64.8	-175.9	176.7	158.8	0	113.2	T44 Y45 D46 N69 F70 H71 T87 D89	T44-K67 HydrophobicContact CG2-CD 4.36Å; Y45-K67 PolarHBondContact O-NZ 2.84Å; Y45-K67 VanDerWaalsContact O-NZ 3.07Å; D46-K67 HydrophobicContact CB-CD 4.35Å; D46-K67 IonicContact OD1-NZ 3.6Å; D46-K67 PolarHBondContact OD1-NZ 3.35Å; D46-K67 WeakPolarHBondContact OD2-CD 3.39Å; D46-K67 WeakPolarHBondContact OD2-CE 3.36Å; D46-K67 IonicContact OD2-NZ 3.42Å; D46-K67 PolarHBondContact OD2-NZ 2.84Å; D46-K67 VanDerWaalsContact OD2-NZ 3.17Å; K67-N69 PolarHBondContact O-N 2.97Å; K67-F70 PolarHBondContact O-N 2.72Å; K67-H71 PolarHBondContact O-CD2 2.79Å; K67-H71 VanDerWaalsContact O-CD2 3.32Å; K67-T87 WeakPolarHBondContact CB-O 3.33Å; K67-T87 WeakPolarHBondContact O-CB 3.37Å; K67-D89 WeakPolarHBondContact CB-OD1 3.25Å; K67-D89 WeakPolarHBondContact CD-OD2 3.32Å; K67-D89 WeakPolarHBondContact CE-OD2 3.42Å; K67-D89 WeakPolarHBondContact CG-OD1 3.18Å; K67-D89 PolarHBondContact N-OD1 3.43Å
68	S	97.3	Very high	97.9	Very high	64 Å²	64	24.7 Å²	24.7	45%	0.448	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-66.7	-18.4	-179.4	70.7	0	0	0	0	114.5	S66 F70 H71	S66-S68 PolarHBondContact O-N 2.85Å; S66-S68 PolarHBondContact OG-OG 3.11Å; S68-F70 PolarHBondContact O-N 3.33Å; S68-F70 VanDerWaalsContact O-N 3.16Å; S68-H71 WeakPolarHBondContact CA-NE2 3.48Å; S68-H71 PolarHBondContact O-N 2.87Å
69	N	96.2	Very high	97.8	Very high	46 Å²	46	32.6 Å²	32.6	25%	0.246	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.7	-25.8	175.4	-59.8	157.6	0	0	0	112.5	G65 S66 K67	G65-N69 WeakPolarHBondContact CA-OD1 3.4Å; S66-N69 PolarHBondContact N-OD1 2.72Å; S66-N69 WeakPolarHBondContact O-CB 3.36Å; S66-N69 PolarHBondContact O-N 2.88Å; S66-N69 PolarHBondContact O-OD1 3.21Å; K67-N69 PolarHBondContact O-N 2.97Å
70	F	97.9	Very high	97.7	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.013	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-107.9	4.4	-175.4	-58	-65	0	0	0	114.4	F59 H61 K67 S68 S72 I73 A74 T87 H128 H287	F59-F70 HydrophobicContact CB-CB 4.3Å; F59-F70 HydrophobicContact CB-CD2 3.7Å; F59-F70 HydrophobicContact CB-CE2 4.18Å; F59-F70 HydrophobicContact CB-CG 4.05Å; F59-F70 HydrophobicContact CD1-CB 4.05Å; F59-F70 AromaticContact CD1-CD1 3.57Å; F59-F70 HydrophobicContact CD1-CD1 3.57Å; F59-F70 AromaticContact CD1-CD2 3.91Å; F59-F70 HydrophobicContact CD1-CD2 3.91Å; F59-F70 AromaticContact CD1-CE1 3.91Å; F59-F70 HydrophobicContact CD1-CE1 3.91Å; F59-F70 HydrophobicContact CD1-CE2 4.19Å; F59-F70 AromaticContact CD1-CG 3.56Å; F59-F70 HydrophobicContact CD1-CG 3.56Å; F59-F70 HydrophobicContact CD1-CZ 4.2Å; F59-F70 HydrophobicContact CE1-CD1 4Å; F59-F70 HydrophobicContact CE1-CE1 4.38Å; F59-F70 HydrophobicContact CE1-CG 4.34Å; F59-F70 HydrophobicContact CG-CB 4.21Å; F59-F70 HydrophobicContact CG-CD1 4.48Å; F59-F70 HydrophobicContact CG-CD2 4.18Å; F59-F70 HydrophobicContact CG-CG 4.05Å; H61-F70 HydrophobicContact CB-CE2 3.8Å; K67-F70 PolarHBondContact O-N 2.72Å; S68-F70 PolarHBondContact O-N 3.33Å; S68-F70 VanDerWaalsContact O-N 3.16Å; F70-S72 PolarHBondContact O-N 2.69Å; F70-I73 CarbonylContact O-C 3.53Å; F70-I73 WeakPolarHBondContact O-CB 3.44Å; F70-I73 PolarHBondContact O-N 2.97Å; F70-I73 VanDerWaalsContact O-N 3.12Å; F70-A74 VanDerWaalsContact O-CB 3.32Å; F70-A74 WeakPolarHBondContact O-CB 3.46Å; F70-A74 PolarHBondContact O-N 2.52Å; F70-T87 HydrophobicContact CB-CG2 3.71Å; F70-H128 HydrophobicContact CZ-CB 4.09Å; F70-H287 HydrophobicContact CE1-CB 4.38Å; F70-H287 AromaticContact CE1-CG 3.93Å
71	H	97.9	Very high	97.5	Very high	52 Å²	52	40.3 Å²	40.3	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-45.3	-173.3	-75	-172.9	0	0	0	114	D46 F48 K67 S68 I73 A74 K75	D46-H71 IonicContact OD2-CE1 2.66Å; D46-H71 PolarHBondContact OD2-CE1 2.77Å; D46-H71 VanDerWaalsContact OD2-CE1 3.31Å; D46-H71 IonicContact OD2-NE2 3.44Å; D46-H71 PolarHBondContact OD2-NE2 2.88Å; F48-H71 AromaticContact CE2-CD2 3.91Å; F48-H71 HydrophobicContact CZ-CB 4.1Å; F48-H71 AromaticContact CZ-CD2 3.52Å; F48-H71 AromaticContact CZ-CG 3.78Å; K67-H71 PolarHBondContact O-CD2 2.79Å; K67-H71 VanDerWaalsContact O-CD2 3.32Å; S68-H71 WeakPolarHBondContact CA-NE2 3.48Å; S68-H71 PolarHBondContact O-N 2.87Å; H71-I73 VanDerWaalsContact C-N 3.35Å; H71-A74 PolarHBondContact O-N 3.34Å; H71-K75 WeakPolarHBondContact O-CG 3.08Å; H71-K75 PolarHBondContact O-N 3.42Å
72	S	97.9	Very high	97.4	Very high	100 Å²	100	41.1 Å²	41.1	70%	0.699	22%	0.22	S	C	*	.	H	α-helix	trans	-67	-38.6	178.1	-59.7	0	0	0	0	111.8	F70 S76	F70-S72 PolarHBondContact O-N 2.69Å; S72-S76 PolarHBondContact O-N 2.78Å; S72-S76 VanDerWaalsContact O-N 3.15Å
73	I	98.4	Very high	97.4	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.041	22%	0.222	C	C	.	.	H	α-helix	trans	-64.4	-47	175.9	-58.1	-58.1	0	0	0	110.5	F59 F70 H71 K75 S76 L77 P291 F294 I295	F59-I73 HydrophobicContact CE1-CG2 4.23Å; F59-I73 HydrophobicContact CZ-CG2 4.06Å; F70-I73 CarbonylContact O-C 3.53Å; F70-I73 WeakPolarHBondContact O-CB 3.44Å; F70-I73 PolarHBondContact O-N 2.97Å; F70-I73 VanDerWaalsContact O-N 3.12Å; H71-I73 VanDerWaalsContact C-N 3.35Å; I73-K75 PolarHBondContact O-N 3.5Å; I73-S76 PolarHBondContact O-N 3.45Å; I73-S76 VanDerWaalsContact O-N 3.17Å; I73-L77 HydrophobicContact CG2-CD1 3.8Å; I73-L77 HydrophobicContact CG2-CG 4.38Å; I73-L77 WeakPolarHBondContact O-CG 3.43Å; I73-L77 PolarHBondContact O-N 3.3Å; I73-P291 HydrophobicContact CD1-CB 3.84Å; I73-F294 HydrophobicContact CD1-CD1 4.29Å; I73-F294 HydrophobicContact CG2-CD1 4.22Å; I73-F294 HydrophobicContact CG2-CE1 4.05Å; I73-I295 HydrophobicContact CD1-CD1 3.71Å; I73-I295 HydrophobicContact CD1-CG1 3.91Å; I73-I295 HydrophobicContact CG2-CG1 3.97Å
74	A	98.4	Very high	97.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.8	-48.1	179.2	0	0	0	0	0	111.5	F48 F70 H71 S76 L77 V78 V85 T87	F48-A74 HydrophobicContact CD1-CB 4.32Å; F48-A74 HydrophobicContact CD2-CB 3.59Å; F48-A74 HydrophobicContact CE2-CB 3.83Å; F48-A74 HydrophobicContact CG-CB 3.88Å; F48-A74 HydrophobicContact CZ-CB 4.3Å; F70-A74 VanDerWaalsContact O-CB 3.32Å; F70-A74 WeakPolarHBondContact O-CB 3.46Å; F70-A74 PolarHBondContact O-N 2.52Å; H71-A74 PolarHBondContact O-N 3.34Å; A74-S76 VanDerWaalsContact C-N 3.31Å; A74-S76 PolarHBondContact O-N 2.82Å; A74-L77 PolarHBondContact O-N 3.02Å; A74-V78 WeakPolarHBondContact O-CG2 3.28Å; A74-V78 PolarHBondContact O-N 2.98Å; A74-V85 HydrophobicContact CB-CB 4.07Å; A74-V85 HydrophobicContact CB-CG1 3.58Å; A74-T87 HydrophobicContact CB-CG2 4.04Å
75	K	98.3	Very high	97.5	Very high	133 Å²	133	45.9 Å²	45.9	58%	0.578	24%	0.238	S	C	*	.	H	α-helix	trans	-57.9	-43.3	175.1	-71.7	175.9	-176.6	-177.7	0	112.2	F48 H71 I73 Q79	F48-K75 HydrophobicContact CD1-CG 3.78Å; F48-K75 HydrophobicContact CE1-CD 4.48Å; F48-K75 HydrophobicContact CE1-CG 3.84Å; H71-K75 WeakPolarHBondContact O-CG 3.08Å; H71-K75 PolarHBondContact O-N 3.42Å; I73-K75 PolarHBondContact O-N 3.5Å; K75-Q79 WeakPolarHBondContact O-CB 3.31Å; K75-Q79 PolarHBondContact O-N 2.79Å
76	S	98.2	Very high	97.6	Very high	28 Å²	28	45.9 Å²	45.9	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-66.3	-42.8	178.4	-169.7	0	0	0	0	112.1	S72 I73 A74 Q79 R80	S72-S76 PolarHBondContact O-N 2.78Å; S72-S76 VanDerWaalsContact O-N 3.15Å; I73-S76 PolarHBondContact O-N 3.45Å; I73-S76 VanDerWaalsContact O-N 3.17Å; A74-S76 VanDerWaalsContact C-N 3.31Å; A74-S76 PolarHBondContact O-N 2.82Å; S76-Q79 PolarHBondContact O-N 3.05Å; S76-R80 WeakPolarHBondContact O-CB 3.23Å; S76-R80 VanDerWaalsContact O-CG 3.31Å; S76-R80 WeakPolarHBondContact O-CG 3.45Å; S76-R80 PolarHBondContact O-N 3.23Å
77	L	98	Very high	97.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-43.7	176.9	-74.7	168.8	0	0	0	111.7	L57 F59 I73 A74 Q79 R80 T81 V85 I295 I298 I299	L57-L77 HydrophobicContact CD1-CB 4.16Å; L57-L77 HydrophobicContact CD1-CD1 3.94Å; L57-L77 HydrophobicContact CD1-CD2 4.38Å; L57-L77 HydrophobicContact CD1-CG 4.4Å; F59-L77 HydrophobicContact CE2-CD1 3.63Å; F59-L77 HydrophobicContact CZ-CD1 3.45Å; F59-L77 VanDerWaalsContact CZ-CD1 3.45Å; I73-L77 HydrophobicContact CG2-CD1 3.8Å; I73-L77 HydrophobicContact CG2-CG 4.38Å; I73-L77 WeakPolarHBondContact O-CG 3.43Å; I73-L77 PolarHBondContact O-N 3.3Å; A74-L77 PolarHBondContact O-N 3.02Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 2.92Å; L77-R80 PolarHBondContact O-N 3.29Å; L77-T81 HydrophobicContact CD2-CG2 4.41Å; L77-T81 WeakPolarHBondContact O-CB 3.33Å; L77-T81 WeakPolarHBondContact O-CG2 3.47Å; L77-T81 PolarHBondContact O-N 2.9Å; L77-T81 PolarHBondContact O-OG1 3.11Å; L77-V85 HydrophobicContact CB-CG2 4.11Å; L77-I295 HydrophobicContact CD2-CG2 3.96Å; L77-I295 HydrophobicContact CG-CG2 4.46Å; L77-I298 HydrophobicContact CD2-CG2 4.04Å; L77-I299 HydrophobicContact CD2-CD1 4.23Å; L77-I299 HydrophobicContact CD2-CG1 3.87Å
78	V	97.8	Very high	97.6	Very high	29 Å²	29	44.6 Å²	44.6	18%	0.176	23%	0.231	C	C	.	.	H	α-helix	trans	-54.6	-50.1	172.1	166.5	0	0	0	0	110.6	F48 D49 A74 R80 G82 R83 V85	F48-V78 HydrophobicContact CB-CG2 3.65Å; F48-V78 WeakPolarHBondContact O-CG2 3.38Å; D49-V78 WeakPolarHBondContact O-CG1 3.49Å; A74-V78 WeakPolarHBondContact O-CG2 3.28Å; A74-V78 PolarHBondContact O-N 2.98Å; V78-R80 PolarHBondContact O-N 2.88Å; V78-G82 VanDerWaalsContact O-CA 3.24Å; V78-G82 WeakPolarHBondContact O-CA 3.36Å; V78-G82 PolarHBondContact O-N 2.83Å; V78-R83 WeakPolarHBondContact CG2-O 3.44Å; V78-V85 HydrophobicContact CG2-CB 4.21Å; V78-V85 HydrophobicContact CG2-CG2 3.73Å
79	Q	96.9	Very high	97.7	Very high	166 Å²	166	41.7 Å²	41.7	78%	0.776	21%	0.21	S	C	*	.	H	α-helix	trans	-63	-41.1	-178.7	-174.3	-178	8.4	0	0	112.6	K75 S76 L77	K75-Q79 WeakPolarHBondContact O-CB 3.31Å; K75-Q79 PolarHBondContact O-N 2.79Å; S76-Q79 PolarHBondContact O-N 3.05Å; L77-Q79 VanDerWaalsContact C-N 3.32Å; L77-Q79 PolarHBondContact O-N 2.92Å
80	R	96	Very high	97.8	Very high	132 Å²	132	40.3 Å²	40.3	50%	0.498	21%	0.205	S	C	.	.	H	α-helix	trans	-86.5	-25.8	-173	-68.7	-175.4	67.8	-169.6	-2.1	114.1	S76 L77 V78 S296 I299	S76-R80 WeakPolarHBondContact O-CB 3.23Å; S76-R80 VanDerWaalsContact O-CG 3.31Å; S76-R80 WeakPolarHBondContact O-CG 3.45Å; S76-R80 PolarHBondContact O-N 3.23Å; L77-R80 PolarHBondContact O-N 3.29Å; V78-R80 PolarHBondContact O-N 2.88Å; R80-S296 PolarHBondContact NH1-OG 2.75Å; R80-I299 HydrophobicContact CB-CD1 3.76Å; R80-I299 HydrophobicContact CG-CD1 4.42Å
81	T	95.6	Very high	97.9	Very high	42 Å²	42	40.2 Å²	40.2	26%	0.258	21%	0.205	S	C	.	.	H	α-helix	trans	-116.6	-18.4	-174	70.5	0	0	0	0	113.6	L77 R83 I299	L77-T81 HydrophobicContact CD2-CG2 4.41Å; L77-T81 WeakPolarHBondContact O-CB 3.33Å; L77-T81 WeakPolarHBondContact O-CG2 3.47Å; L77-T81 PolarHBondContact O-N 2.9Å; L77-T81 PolarHBondContact O-OG1 3.11Å; T81-R83 PolarHBondContact O-N 3.39Å; T81-R83 WeakPolarHBondContact OG1-CB 3.39Å; T81-R83 PolarHBondContact OG1-N 3.24Å; T81-R83 VanDerWaalsContact OG1-N 3.16Å; T81-I299 HydrophobicContact CG2-CD1 4.13Å; T81-I299 HydrophobicContact CG2-CG1 3.76Å
82	G	96.2	Very high	97.9	Very high	20 Å²	20	37.7 Å²	37.7	21%	0.206	19%	0.194	C	C	.	.			trans	68.5	0.4	-171.1	0	0	0	0	0	114.4	G50 K51 G52 V78	G50-G82 CarbonylContact C-O 3.56Å; G50-G82 VanDerWaalsContact C-O 3.27Å; G50-G82 WeakPolarHBondContact CA-O 3.29Å; K51-G82 PolarHBondContact N-O 2.8Å; G52-G82 WeakPolarHBondContact CA-O 3.49Å; G52-G82 PolarHBondContact N-O 2.98Å; V78-G82 VanDerWaalsContact O-CA 3.24Å; V78-G82 WeakPolarHBondContact O-CA 3.36Å; V78-G82 PolarHBondContact O-N 2.83Å
83	R	96.7	Very high	97.9	Very high	29 Å²	29	33 Å²	33	11%	0.109	16%	0.16	C	C	.	.			trans	-75.6	144.4	179.2	-62.2	-170.6	170.5	-134.8	9.5	111.2	T55 L57 V78 T81 E147	T55-R83 PolarHBondContact O-NH1 3.5Å; T55-R83 PolarHBondContact OG1-NH1 3.07Å; L57-R83 HydrophobicContact CG-CB 4.23Å; V78-R83 WeakPolarHBondContact CG2-O 3.44Å; T81-R83 PolarHBondContact O-N 3.39Å; T81-R83 WeakPolarHBondContact OG1-CB 3.39Å; T81-R83 PolarHBondContact OG1-N 3.24Å; T81-R83 VanDerWaalsContact OG1-N 3.16Å; R83-E147 IonicContact NH1-OE1 3.69Å; R83-E147 IonicContact NH2-OE1 2.73Å
84	K	97.8	Very high	97.9	Very high	83 Å²	83	32.9 Å²	32.9	36%	0.361	16%	0.161	S	C	.	.			trans	-63.2	138.4	166.7	179.4	-177.6	-65.4	-175.4	0	109.6	V47 F48 D49 P56 L57 L86	V47-K84 HydrophobicContact CG1-CD 4.12Å; V47-K84 HydrophobicContact CG1-CG 4.07Å; F48-K84 WeakPolarHBondContact O-CA 3.22Å; D49-K84 WeakPolarHBondContact OD1-CE 3.38Å; P56-K84 CarbonylContact C-O 3.56Å; P56-K84 VanDerWaalsContact CA-O 3.27Å; P56-K84 WeakPolarHBondContact CA-O 3.47Å; P56-K84 HydrophobicContact CB-CB 4.15Å; P56-K84 HydrophobicContact CB-CD 4.45Å; P56-K84 HydrophobicContact CB-CG 4.37Å; L57-K84 PolarHBondContact N-O 3.36Å; K84-L86 HydrophobicContact CD-CD1 3.98Å; K84-L86 HydrophobicContact CG-CD1 3.97Å
85	V	98.6	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.1	176.1	-174.2	0	0	0	0	110.2	F48 L57 F59 A74 L77 V78	F48-V85 HydrophobicContact CB-CB 4.29Å; F48-V85 PolarHBondContact N-O 3.04Å; F48-V85 PolarHBondContact O-N 3.43Å; L57-V85 HydrophobicContact CB-CG1 4.3Å; L57-V85 HydrophobicContact CB-CG2 4.13Å; L57-V85 HydrophobicContact CD1-CG2 4.09Å; L57-V85 HydrophobicContact CG-CG2 4.32Å; L57-V85 CarbonylContact O-C 3.36Å; L57-V85 WeakPolarHBondContact O-CA 3.41Å; F59-V85 HydrophobicContact CD2-CG1 3.63Å; F59-V85 HydrophobicContact CE2-CG1 3.82Å; A74-V85 HydrophobicContact CB-CB 4.07Å; A74-V85 HydrophobicContact CB-CG1 3.58Å; L77-V85 HydrophobicContact CB-CG2 4.11Å; V78-V85 HydrophobicContact CG2-CB 4.21Å; V78-V85 HydrophobicContact CG2-CG2 3.73Å
86	L	98.6	Very high	97.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.1	171.3	-71.7	77.8	0	0	0	108.6	D46 V47 P56 L57 V58 F59 K84 L118 I120	D46-L86 WeakPolarHBondContact O-CA 3.28Å; V47-L86 HydrophobicContact CG2-CG 4.48Å; P56-L86 HydrophobicContact CB-CD1 3.84Å; L57-L86 PolarHBondContact O-N 3.24Å; V58-L86 WeakPolarHBondContact CA-O 3.44Å; V58-L86 HydrophobicContact CG1-CB 4.39Å; V58-L86 HydrophobicContact CG2-CB 4.25Å; V58-L86 HydrophobicContact CG2-CD1 4.46Å; F59-L86 PolarHBondContact N-O 3.23Å; K84-L86 HydrophobicContact CD-CD1 3.98Å; K84-L86 HydrophobicContact CG-CD1 3.97Å; L86-L118 HydrophobicContact CD2-CD1 3.38Å; L86-I120 HydrophobicContact CD1-CD1 4.1Å; L86-I120 HydrophobicContact CD2-CD1 3.77Å
87	T	98.8	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126.3	169.5	56.7	0	0	0	0	108.4	Y45 D46 F48 F59 K67 F70 A74	Y45-T87 CarbonylContact C-O 3.57Å; Y45-T87 WeakPolarHBondContact CA-O 3.36Å; Y45-T87 WeakPolarHBondContact CB-O 3.31Å; D46-T87 PolarHBondContact N-O 3.19Å; D46-T87 PolarHBondContact O-N 3.25Å; F48-T87 HydrophobicContact CE2-CG2 4.04Å; F59-T87 HydrophobicContact CB-CG2 4.11Å; K67-T87 WeakPolarHBondContact CB-O 3.33Å; K67-T87 WeakPolarHBondContact O-CB 3.37Å; F70-T87 HydrophobicContact CB-CG2 3.71Å; A74-T87 HydrophobicContact CB-CG2 4.04Å
88	V	98.9	Very high	97.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.6	-165.7	-174.3	0	0	0	0	110.8	L43 V58 F59 L60 H61 L114	L43-V88 HydrophobicContact CB-CG1 4.01Å; L43-V88 HydrophobicContact CD1-CG1 3.68Å; L43-V88 HydrophobicContact CG-CG1 4.47Å; V58-V88 HydrophobicContact CG1-CG2 3.87Å; F59-V88 PolarHBondContact O-N 3.36Å; F59-V88 VanDerWaalsContact O-N 3.09Å; L60-V88 HydrophobicContact CD2-CB 4.16Å; L60-V88 HydrophobicContact CD2-CG2 4.42Å; H61-V88 PolarHBondContact CD2-O 3.04Å; V88-L114 HydrophobicContact CB-CD2 4.43Å; V88-L114 HydrophobicContact CG1-CD2 3.72Å; V88-L114 HydrophobicContact CG2-CD2 3.76Å
89	D	98.9	Very high	97.8	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-82.5	121.1	165.6	-75.7	-31.8	0	0	0	108.7	T44 S66 K67 N95 S96	T44-D89 PolarHBondContact O-N 3.24Å; S66-D89 WeakPolarHBondContact CA-OD1 3.36Å; S66-D89 VanDerWaalsContact CB-OD1 3.3Å; S66-D89 WeakPolarHBondContact CB-OD1 3.26Å; K67-D89 WeakPolarHBondContact CB-OD1 3.25Å; K67-D89 WeakPolarHBondContact CD-OD2 3.32Å; K67-D89 WeakPolarHBondContact CE-OD2 3.42Å; K67-D89 WeakPolarHBondContact CG-OD1 3.18Å; K67-D89 PolarHBondContact N-OD1 3.43Å; D89-N95 PolarHBondContact OD2-N 3.24Å; D89-S96 WeakPolarHBondContact CB-OG 3.47Å; D89-S96 WeakPolarHBondContact O-CB 3.33Å; D89-S96 PolarHBondContact O-OG 3.25Å
90	A	98.8	Very high	97.8	Very high	17 Å²	17	35 Å²	35	14%	0.14	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-64.8	158.5	172.3	0	0	0	0	0	110.8	H61 H93 S96 M107 M130	H61-A90 PolarHBondContact NE2-N 2.89Å; A90-H93 WeakPolarHBondContact O-CB 3.32Å; A90-H93 PolarHBondContact O-N 3.44Å; A90-H93 VanDerWaalsContact O-N 3.09Å; A90-S96 WeakPolarHBondContact O-CB 3.41Å; A90-M107 HydrophobicContact CB-SD 4.43Å; A90-M130 HydrophobicContact CB-CE 3.93Å
91	R	98.6	Very high	97.8	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	149	166.5	62.7	168.3	63.6	-166.2	0.4	110.5	V41 L43 H93 T99 E101 L102 A106 M107 D110	V41-R91 HydrophobicContact CG2-CB 3.96Å; L43-R91 HydrophobicContact CD2-CB 4.49Å; R91-H93 PolarHBondContact O-N 2.75Å; R91-H93 VanDerWaalsContact O-N 3.11Å; R91-H93 PolarHBondContact O-ND1 3.09Å; R91-T99 HydrophobicContact CB-CG2 4Å; R91-T99 HydrophobicContact CG-CG2 4.36Å; R91-E101 WeakPolarHBondContact CD-O 3.08Å; R91-E101 PolarHBondContact NH1-O 3.43Å; R91-L102 HydrophobicContact CG-CD1 3.9Å; R91-A106 VanDerWaalsContact NH1-CB 3.26Å; R91-A106 PolarHBondContact NH2-O 2.73Å; R91-M107 HydrophobicContact CG-CG 3.97Å; R91-D110 IonicContact CZ-OD1 3.06Å; R91-D110 IonicContact CZ-OD2 3.87Å; R91-D110 VanDerWaalsContact CZ-OD2 3.25Å; R91-D110 IonicContact NE-OD1 3.17Å; R91-D110 IonicContact NE-OD2 2.69Å; R91-D110 PolarHBondContact NE-OD2 3.06Å; R91-D110 IonicContact NH2-OD1 3.31Å; R91-D110 PolarHBondContact NH2-OD1 2.83Å; R91-D110 IonicContact NH2-OD2 3.35Å; R91-D110 PolarHBondContact NH2-OD2 3.37Å
92	N	98.5	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	7.8	-177.8	-65.3	-43.3	0	0	0	115.7	P97 H98 T99 L102 V222 N223	N92-P97 PolarHBondContact N-O 3.39Å; N92-H98 VanDerWaalsContact OD1-CA 3.31Å; N92-H98 WeakPolarHBondContact OD1-CA 3.37Å; N92-T99 PolarHBondContact ND2-O 3.31Å; N92-T99 PolarHBondContact OD1-N 2.92Å; N92-T99 PolarHBondContact OD1-O 2.84Å; N92-L102 HydrophobicContact CB-CD2 4.49Å; N92-V222 VanDerWaalsContact O-CA 3.32Å; N92-V222 WeakPolarHBondContact O-CA 3.33Å; N92-N223 HydrophobicContact CB-CB 3.72Å; N92-N223 PolarHBondContact O-N 3.47Å; N92-N223 VanDerWaalsContact OD1-CB 3.24Å; N92-N223 WeakPolarHBondContact OD1-CB 3.38Å; N92-N223 PolarHBondContact OD1-ND2 2.73Å
93	H	98.6	Very high	97.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-134.1	159.5	-178.9	-66.4	77.8	0	0	0	111.7	H61 F64 A90 R91 N95 S96	H61-H93 VanDerWaalsContact CE1-CB 3.43Å; H61-H93 WeakPolarHBondContact CE1-CB 3.2Å; H61-H93 AromaticContact CE1-CD2 3.63Å; H61-H93 AromaticContact CE1-CG 3.52Å; F64-H93 PolarHBondContact N-CD2 2.9Å; F64-H93 PolarHBondContact N-NE2 3.41Å; F64-H93 VanDerWaalsContact N-NE2 3.14Å; A90-H93 WeakPolarHBondContact O-CB 3.32Å; A90-H93 PolarHBondContact O-N 3.44Å; A90-H93 VanDerWaalsContact O-N 3.09Å; R91-H93 PolarHBondContact O-N 2.75Å; R91-H93 VanDerWaalsContact O-N 3.11Å; R91-H93 PolarHBondContact O-ND1 3.09Å; H93-N95 PolarHBondContact O-N 3.05Å; H93-S96 WeakPolarHBondContact O-CB 3.46Å; H93-S96 PolarHBondContact O-N 3.12Å
94	G	97.4	Very high	97.8	Very high	6 Å²	6	27.6 Å²	27.6	6%	0.062	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	-128.5	175.9	0	0	0	0	0	111.9	R221	G94-R221 VanDerWaalsContact O-CD 3.27Å; G94-R221 WeakPolarHBondContact O-CD 3.46Å; G94-R221 WeakPolarHBondContact O-CG 2.78Å
95	N	97.6	Very high	97.8	Very high	109 Å²	109	27.7 Å²	27.7	58%	0.583	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.9	10.2	176.6	-60.8	-29.5	0	0	0	112.7	T44 D89 H93	T44-N95 HydrophobicContact CG2-CB 3.86Å; T44-N95 PolarHBondContact OG1-O 3.32Å; D89-N95 PolarHBondContact OD2-N 3.24Å; H93-N95 PolarHBondContact O-N 3.05Å
96	S	98.6	Very high	97.7	Very high	5 Å²	5	27.8 Å²	27.8	4%	0.035	16%	0.155	C	C	.	.	S	Bend	trans	-77	153.7	175.1	-77.4	0	0	0	0	111.2	L43 T44 D89 A90 H93	L43-S96 WeakPolarHBondContact CA-OG 3.47Å; T44-S96 PolarHBondContact N-OG 2.78Å; D89-S96 WeakPolarHBondContact CB-OG 3.47Å; D89-S96 WeakPolarHBondContact O-CB 3.33Å; D89-S96 PolarHBondContact O-OG 3.25Å; A90-S96 WeakPolarHBondContact O-CB 3.41Å; H93-S96 WeakPolarHBondContact O-CB 3.46Å; H93-S96 PolarHBondContact O-N 3.12Å
97	P	98.1	Very high	97.7	Very high	52 Å²	52	28.1 Å²	28.1	34%	0.338	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-54.9	142.4	-177.1	-28.4	36.7	0	0	0	113.8	V41 N42 N92	V41-P97 HydrophobicContact CB-CB 4.32Å; V41-P97 HydrophobicContact CB-CG 4.2Å; N42-P97 WeakPolarHBondContact O-CD 3.4Å; N92-P97 PolarHBondContact N-O 3.39Å
98	H	97.8	Very high	97.7	Very high	101 Å²	101	28.1 Å²	28.1	47%	0.468	16%	0.157	S	C	.	.	P	Polyproline II helix	trans	-81.7	132.4	167.7	-73.1	-163.8	0	0	0	109.4	N92 R221 N223	N92-H98 VanDerWaalsContact OD1-CA 3.31Å; N92-H98 WeakPolarHBondContact OD1-CA 3.37Å; H98-R221 PolarHBondContact CE1-O 3.02Å; H98-R221 PolarHBondContact NE2-O 2.99Å; H98-N223 HydrophobicContact CB-CB 4.2Å
99	T	97	Very high	97.7	Very high	25 Å²	25	29.6 Å²	29.6	15%	0.153	17%	0.169	C	C	.	.			trans	-142.2	145.6	-179.9	169.4	0	0	0	0	109.1	R91 N92 E101 N223 A226	R91-T99 HydrophobicContact CB-CG2 4Å; R91-T99 HydrophobicContact CG-CG2 4.36Å; N92-T99 PolarHBondContact ND2-O 3.31Å; N92-T99 PolarHBondContact OD1-N 2.92Å; N92-T99 PolarHBondContact OD1-O 2.84Å; T99-E101 WeakPolarHBondContact CG2-O 3.15Å; T99-E101 PolarHBondContact O-N 3.23Å; T99-E101 PolarHBondContact OG1-N 2.92Å; T99-N223 PolarHBondContact O-ND2 2.83Å; T99-A226 WeakPolarHBondContact O-CB 3.18Å
100	P	96.7	Very high	97.7	Very high	108 Å²	108	29.5 Å²	29.5	70%	0.701	17%	0.169	S	C	*	.	S	Bend	trans	-61.5	-24.6	175.9	25.4	-35.3	0	0	0	113	H230	P100-H230 PolarHBondContact O-CE1 3Å
101	E	95.4	Very high	97.7	Very high	36 Å²	36	28.8 Å²	28.8	17%	0.168	16%	0.163	C	C	.	.			trans	-95.7	128.1	-173.4	-176.1	167.8	-165.6	0	0	113.2	S36 S38 R91 T99 T103 A106	S36-E101 PolarHBondContact OG-OE1 3.32Å; S38-E101 WeakPolarHBondContact CB-OE1 3.09Å; S38-E101 WeakPolarHBondContact CB-OE2 3.45Å; R91-E101 WeakPolarHBondContact CD-O 3.08Å; R91-E101 PolarHBondContact NH1-O 3.43Å; T99-E101 WeakPolarHBondContact CG2-O 3.15Å; T99-E101 PolarHBondContact O-N 3.23Å; T99-E101 PolarHBondContact OG1-N 2.92Å; E101-T103 HydrophobicContact CG-CG2 4.34Å; E101-A106 HydrophobicContact CG-CB 4.34Å
102	L	95.9	Very high	97.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.186	C	C	.	.			trans	-140.2	70	-178.5	-174.1	55.2	0	0	0	111.6	R91 N92 M107 I227 H230 I234	R91-L102 HydrophobicContact CG-CD1 3.9Å; N92-L102 HydrophobicContact CB-CD2 4.49Å; L102-M107 HydrophobicContact CD1-CE 4.29Å; L102-M107 HydrophobicContact CD1-CG 4.31Å; L102-M107 HydrophobicContact CD1-SD 3.93Å; L102-I227 HydrophobicContact CD2-CB 4.43Å; L102-I227 HydrophobicContact CD2-CG1 3.68Å; L102-H230 HydrophobicContact CB-CB 4Å; L102-I234 HydrophobicContact CD2-CD1 3.51Å; L102-I234 HydrophobicContact CD2-CG1 4.38Å; L102-I234 HydrophobicContact CG-CD1 3.94Å; L102-I234 HydrophobicContact CG-CG1 4.28Å
103	T	96.4	Very high	97.7	Very high	22 Å²	22	36.9 Å²	36.9	14%	0.135	20%	0.199	C	C	.	.			trans	-108.1	163.3	174.5	68.2	0	0	0	0	111.2	E101 A106 M107	E101-T103 HydrophobicContact CG-CG2 4.34Å; T103-A106 PolarHBondContact O-N 3.23Å; T103-A106 WeakPolarHBondContact OG1-CB 3.42Å; T103-A106 PolarHBondContact OG1-N 3.14Å; T103-M107 WeakPolarHBondContact O-CG 3.35Å; T103-M107 PolarHBondContact O-N 3.14Å
104	Y	97.7	Very high	97.7	Very high	9 Å²	9	36.9 Å²	36.9	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-70.9	-34.6	178	-74.1	-62.7	0	0	0	112.8	A106 M107 A108 M130 K133 T137 I234 S236	Y104-A106 VanDerWaalsContact C-N 3.31Å; Y104-A106 PolarHBondContact O-N 3.49Å; Y104-M107 HydrophobicContact CD1-CE 3.4Å; Y104-M107 HydrophobicContact CE1-CE 3.51Å; Y104-M107 HydrophobicContact CG-CE 4.22Å; Y104-M107 PolarHBondContact O-N 2.99Å; Y104-A108 VanDerWaalsContact O-CB 3.29Å; Y104-A108 WeakPolarHBondContact O-CB 3.42Å; Y104-A108 PolarHBondContact O-N 3.42Å; Y104-M130 HydrophobicContact CE1-CG 4.33Å; Y104-K133 HydrophobicContact CD1-CB 3.8Å; Y104-K133 HydrophobicContact CE1-CB 3.22Å; Y104-K133 HydrophobicContact CE1-CD 4.33Å; Y104-K133 HydrophobicContact CE1-CG 4.39Å; Y104-K133 HydrophobicContact CE2-CB 4.05Å; Y104-K133 HydrophobicContact CE2-CD 3.96Å; Y104-K133 HydrophobicContact CG-CB 4.47Å; Y104-K133 WeakPolarHBondContact OH-CD 3.43Å; Y104-T137 WeakPolarHBondContact CB-OG1 3.41Å; Y104-I234 PolarHBondContact OH-O 3.46Å; Y104-S236 WeakPolarHBondContact CE2-O 3.48Å
105	E	96.4	Very high	97.7	Very high	85 Å²	85	36.6 Å²	36.6	40%	0.397	20%	0.196	S	C	.	.	H	α-helix	trans	-60.7	-43.9	173.3	-65	79.2	-178.9	0	0	110.5	A108 A109 P238	E105-A108 PolarHBondContact O-N 3.43Å; E105-A109 WeakPolarHBondContact O-CB 3.34Å; E105-A109 PolarHBondContact O-N 2.79Å; E105-P238 WeakPolarHBondContact OE1-CB 3.47Å
106	A	97.7	Very high	97.7	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	20%	0.197	C	C	.	.	H	α-helix	trans	-69.5	-41.2	179.7	0	0	0	0	0	111.9	S38 R91 E101 T103 Y104 A108 A109 D110	S38-A106 WeakPolarHBondContact OG-CB 3.09Å; R91-A106 VanDerWaalsContact NH1-CB 3.26Å; R91-A106 PolarHBondContact NH2-O 2.73Å; E101-A106 HydrophobicContact CG-CB 4.34Å; T103-A106 PolarHBondContact O-N 3.23Å; T103-A106 WeakPolarHBondContact OG1-CB 3.42Å; T103-A106 PolarHBondContact OG1-N 3.14Å; Y104-A106 VanDerWaalsContact C-N 3.31Å; Y104-A106 PolarHBondContact O-N 3.49Å; A106-A108 VanDerWaalsContact C-N 3.35Å; A106-A108 PolarHBondContact O-N 3.23Å; A106-A109 PolarHBondContact O-N 3.24Å; A106-D110 VanDerWaalsContact O-CG 3.26Å; A106-D110 PolarHBondContact O-N 3.43Å
107	M	98.4	Very high	97.7	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-35.5	172.8	-72.1	-171	-75.8	0	0	112.9	A90 R91 L102 T103 Y104 D110 L111 M130 T134	A90-M107 HydrophobicContact CB-SD 4.43Å; R91-M107 HydrophobicContact CG-CG 3.97Å; L102-M107 HydrophobicContact CD1-CE 4.29Å; L102-M107 HydrophobicContact CD1-CG 4.31Å; L102-M107 HydrophobicContact CD1-SD 3.93Å; T103-M107 WeakPolarHBondContact O-CG 3.35Å; T103-M107 PolarHBondContact O-N 3.14Å; Y104-M107 HydrophobicContact CD1-CE 3.4Å; Y104-M107 HydrophobicContact CE1-CE 3.51Å; Y104-M107 HydrophobicContact CG-CE 4.22Å; Y104-M107 PolarHBondContact O-N 2.99Å; M107-D110 PolarHBondContact O-N 2.65Å; M107-L111 PolarHBondContact O-N 2.94Å; M107-L111 VanDerWaalsContact O-N 3.07Å; M107-M130 HydrophobicContact CE-CG 4.11Å; M107-M130 HydrophobicContact CE-SD 4.47Å; M107-M130 HydrophobicContact SD-CE 4.42Å; M107-M130 HydrophobicContact SD-CG 4.34Å; M107-M130 HydrophobicContact SD-SD 4.2Å; M107-T134 HydrophobicContact CB-CG2 3.62Å; M107-T134 WeakPolarHBondContact CE-OG1 3.27Å; M107-T134 PolarHBondContact SD-OG1 3.43Å
108	A	98.4	Very high	97.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	21%	0.211	C	C	.	.	H	α-helix	trans	-68.7	-35.8	174	0	0	0	0	0	112.1	Y104 E105 A106 L111 K112 T137 T138 Q142	Y104-A108 VanDerWaalsContact O-CB 3.29Å; Y104-A108 WeakPolarHBondContact O-CB 3.42Å; Y104-A108 PolarHBondContact O-N 3.42Å; E105-A108 PolarHBondContact O-N 3.43Å; A106-A108 VanDerWaalsContact C-N 3.35Å; A106-A108 PolarHBondContact O-N 3.23Å; A108-L111 PolarHBondContact O-N 2.87Å; A108-K112 PolarHBondContact O-N 3.23Å; A108-T137 HydrophobicContact CB-CG2 4.05Å; A108-T138 WeakPolarHBondContact CB-OG1 3.39Å; A108-Q142 PolarHBondContact O-NE2 3.15Å
109	A	98.3	Very high	97.6	Very high	31 Å²	31	42.7 Å²	42.7	26%	0.256	23%	0.226	S	C	.	.	H	α-helix	trans	-66.3	-41.8	173.6	0	0	0	0	0	112	E105 A106 L111 K112 H113	E105-A109 WeakPolarHBondContact O-CB 3.34Å; E105-A109 PolarHBondContact O-N 2.79Å; A106-A109 PolarHBondContact O-N 3.24Å; A109-L111 VanDerWaalsContact C-N 3.35Å; A109-K112 WeakPolarHBondContact O-CB 3.29Å; A109-K112 PolarHBondContact O-N 3.2Å; A109-H113 WeakPolarHBondContact O-CB 3.46Å; A109-H113 PolarHBondContact O-N 3.21Å
110	D	98.7	Very high	97.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-44	174.2	-65	-21	0	0	0	112	P40 V41 L43 R91 A106 M107 H113 L114	P40-D110 WeakPolarHBondContact CA-OD1 3.44Å; V41-D110 PolarHBondContact N-OD1 3.38Å; L43-D110 HydrophobicContact CD1-CB 3.64Å; L43-D110 HydrophobicContact CD2-CB 3.9Å; L43-D110 HydrophobicContact CG-CB 3.77Å; R91-D110 IonicContact CZ-OD1 3.06Å; R91-D110 IonicContact CZ-OD2 3.87Å; R91-D110 VanDerWaalsContact CZ-OD2 3.25Å; R91-D110 IonicContact NE-OD1 3.17Å; R91-D110 IonicContact NE-OD2 2.69Å; R91-D110 PolarHBondContact NE-OD2 3.06Å; R91-D110 IonicContact NH2-OD1 3.31Å; R91-D110 PolarHBondContact NH2-OD1 2.83Å; R91-D110 IonicContact NH2-OD2 3.35Å; R91-D110 PolarHBondContact NH2-OD2 3.37Å; A106-D110 VanDerWaalsContact O-CG 3.26Å; A106-D110 PolarHBondContact O-N 3.43Å; M107-D110 PolarHBondContact O-N 2.65Å; D110-H113 WeakPolarHBondContact O-CB 3.36Å; D110-H113 PolarHBondContact O-N 3.39Å; D110-L114 WeakPolarHBondContact O-CB 3.38Å; D110-L114 PolarHBondContact O-N 2.81Å
111	L	98.6	Very high	97.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-45.3	178.4	177.5	58.8	0	0	0	110.9	V58 L60 M107 A108 A109 H113 L114 L115 L125 T138	V58-L111 HydrophobicContact CG1-CD1 4.08Å; L60-L111 HydrophobicContact CD1-CD2 3.93Å; L60-L111 HydrophobicContact CD2-CD1 4.25Å; L60-L111 HydrophobicContact CD2-CD2 4.42Å; M107-L111 PolarHBondContact O-N 2.94Å; M107-L111 VanDerWaalsContact O-N 3.07Å; A108-L111 PolarHBondContact O-N 2.87Å; A109-L111 VanDerWaalsContact C-N 3.35Å; L111-H113 VanDerWaalsContact C-N 3.3Å; L111-H113 PolarHBondContact O-N 2.79Å; L111-L114 PolarHBondContact O-N 2.81Å; L111-L115 HydrophobicContact CD1-CD1 4.23Å; L111-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 HydrophobicContact CD1-CG 4.11Å; L111-L115 HydrophobicContact CG-CD1 4.21Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.84Å; L111-L125 HydrophobicContact CD2-CD1 4.1Å; L111-L125 HydrophobicContact CD2-CD2 3.89Å; L111-T138 HydrophobicContact CD2-CG2 4.08Å
112	K	98.6	Very high	97.8	Very high	113 Å²	113	48.3 Å²	48.3	49%	0.491	24%	0.241	S	C	.	.	H	α-helix	trans	-54.8	-48.4	173.4	-178.6	-168	-155.8	163.9	0	111.5	A108 A109 L115 S116 Q142 L145	A108-K112 PolarHBondContact O-N 3.23Å; A109-K112 WeakPolarHBondContact O-CB 3.29Å; A109-K112 PolarHBondContact O-N 3.2Å; K112-L115 PolarHBondContact O-N 3.24Å; K112-S116 WeakPolarHBondContact O-CB 3.06Å; K112-S116 PolarHBondContact O-N 3.18Å; K112-Q142 VanDerWaalsContact CB-OE1 3.27Å; K112-L145 HydrophobicContact CB-CD1 4.29Å; K112-L145 HydrophobicContact CG-CD1 4.1Å
113	H	98.5	Very high	97.9	Very high	57 Å²	57	48.3 Å²	48.3	26%	0.264	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-47.6	-179.1	180	66.9	0	0	0	111.3	P40 N42 A109 D110 L111 L115 S116 Q117	P40-H113 HydrophobicContact CB-CB 3.63Å; P40-H113 HydrophobicContact CG-CB 3.94Å; N42-H113 PolarHBondContact OD1-NE2 2.8Å; A109-H113 WeakPolarHBondContact O-CB 3.46Å; A109-H113 PolarHBondContact O-N 3.21Å; D110-H113 WeakPolarHBondContact O-CB 3.36Å; D110-H113 PolarHBondContact O-N 3.39Å; L111-H113 VanDerWaalsContact C-N 3.3Å; L111-H113 PolarHBondContact O-N 2.79Å; H113-L115 PolarHBondContact O-N 3.33Å; H113-S116 WeakPolarHBondContact O-CB 3.47Å; H113-S116 PolarHBondContact O-N 3.43Å; H113-Q117 PolarHBondContact NE2-NE2 3.06Å; H113-Q117 WeakPolarHBondContact O-CG 3.47Å; H113-Q117 PolarHBondContact O-N 2.95Å
114	L	98.7	Very high	98	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.9	-49.3	174.8	172.6	62.2	0	0	0	112.1	L43 Y45 V88 D110 L111 S116 Q117 L118	L43-L114 HydrophobicContact CB-CD2 4.23Å; L43-L114 HydrophobicContact CD1-CD2 4.31Å; Y45-L114 HydrophobicContact CD1-CD1 3.32Å; Y45-L114 HydrophobicContact CD1-CD2 4.29Å; Y45-L114 HydrophobicContact CD1-CG 4.44Å; Y45-L114 HydrophobicContact CE1-CD1 3.4Å; Y45-L114 VanDerWaalsContact CE1-CD1 3.4Å; Y45-L114 HydrophobicContact CG-CD1 4.11Å; V88-L114 HydrophobicContact CB-CD2 4.43Å; V88-L114 HydrophobicContact CG1-CD2 3.72Å; V88-L114 HydrophobicContact CG2-CD2 3.76Å; D110-L114 WeakPolarHBondContact O-CB 3.38Å; D110-L114 PolarHBondContact O-N 2.81Å; L111-L114 PolarHBondContact O-N 2.81Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 2.91Å; L114-Q117 PolarHBondContact O-N 2.9Å; L114-L118 HydrophobicContact CD1-CD1 3.85Å; L114-L118 HydrophobicContact CD1-CG 4.22Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 WeakPolarHBondContact O-CG 3.2Å; L114-L118 PolarHBondContact O-N 2.52Å; L114-L118 VanDerWaalsContact O-N 3.08Å
115	L	98.4	Very high	98.1	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-39	-179.9	-65.9	177.6	0	0	0	111.6	V58 L111 K112 H113 L118 H119 I120	V58-L115 HydrophobicContact CG2-CD2 4.11Å; L111-L115 HydrophobicContact CD1-CD1 4.23Å; L111-L115 HydrophobicContact CD1-CD2 4.47Å; L111-L115 HydrophobicContact CD1-CG 4.11Å; L111-L115 HydrophobicContact CG-CD1 4.21Å; L111-L115 HydrophobicContact CG-CG 4.48Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.84Å; K112-L115 PolarHBondContact O-N 3.24Å; H113-L115 PolarHBondContact O-N 3.33Å; L115-L118 CarbonylContact O-C 3.52Å; L115-L118 PolarHBondContact O-N 3.23Å; L115-H119 PolarHBondContact O-N 2.82Å; L115-H119 VanDerWaalsContact O-N 3.1Å; L115-I120 HydrophobicContact CB-CB 4.33Å; L115-I120 HydrophobicContact CD2-CB 4.02Å; L115-I120 HydrophobicContact CD2-CD1 4.07Å; L115-I120 HydrophobicContact CD2-CG2 3.94Å; L115-I120 PolarHBondContact O-N 2.58Å
116	S	98.2	Very high	98.2	Very high	86 Å²	86	42.8 Å²	42.8	60%	0.601	21%	0.214	S	C	*	.	H	α-helix	trans	-63	-44	174.6	-172.3	0	0	0	0	112.3	K112 H113 L114 L118 H119	K112-S116 WeakPolarHBondContact O-CB 3.06Å; K112-S116 PolarHBondContact O-N 3.18Å; H113-S116 WeakPolarHBondContact O-CB 3.47Å; H113-S116 PolarHBondContact O-N 3.43Å; L114-S116 VanDerWaalsContact C-N 3.3Å; L114-S116 PolarHBondContact O-N 2.91Å; S116-L118 PolarHBondContact O-N 3.1Å; S116-H119 PolarHBondContact O-N 3.3Å; S116-H119 VanDerWaalsContact O-N 3.11Å
117	Q	98.2	Very high	98.2	Very high	89 Å²	89	42.7 Å²	42.7	42%	0.416	21%	0.213	S	C	.	.	H	α-helix	trans	-61.1	-33	177	-71.6	176.2	-52.5	0	0	112.1	N42 H113 L114 H119	N42-Q117 PolarHBondContact OD1-NE2 2.84Å; H113-Q117 PolarHBondContact NE2-NE2 3.06Å; H113-Q117 WeakPolarHBondContact O-CG 3.47Å; H113-Q117 PolarHBondContact O-N 2.95Å; L114-Q117 PolarHBondContact O-N 2.9Å; Q117-H119 VanDerWaalsContact C-N 3.33Å; Q117-H119 PolarHBondContact O-ND1 3.13Å
118	L	97.4	Very high	98.2	Very high	49 Å²	49	42.8 Å²	42.8	26%	0.257	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	1.2	178.9	-68.3	-178.3	0	0	0	114.1	Y45 L86 L114 L115 S116 I120	Y45-L118 HydrophobicContact CD2-CD1 4.27Å; Y45-L118 HydrophobicContact CE1-CD1 4.46Å; Y45-L118 HydrophobicContact CE2-CD1 3.84Å; Y45-L118 HydrophobicContact CE2-CD2 4.04Å; Y45-L118 VanDerWaalsContact OH-CD2 3.27Å; Y45-L118 WeakPolarHBondContact OH-CD2 3.41Å; L86-L118 HydrophobicContact CD2-CD1 3.38Å; L114-L118 HydrophobicContact CD1-CD1 3.85Å; L114-L118 HydrophobicContact CD1-CG 4.22Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 WeakPolarHBondContact O-CG 3.2Å; L114-L118 PolarHBondContact O-N 2.52Å; L114-L118 VanDerWaalsContact O-N 3.08Å; L115-L118 CarbonylContact O-C 3.52Å; L115-L118 PolarHBondContact O-N 3.23Å; S116-L118 PolarHBondContact O-N 3.1Å; L118-I120 HydrophobicContact CB-CD1 3.78Å; L118-I120 HydrophobicContact CB-CG1 3.93Å; L118-I120 HydrophobicContact CD1-CD1 4.08Å; L118-I120 PolarHBondContact O-N 3.37Å
119	H	96.9	Very high	98.2	Very high	170 Å²	170	43.1 Å²	43.1	79%	0.787	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	37	-175.1	-50.2	83.3	0	0	0	112.5	L115 S116 Q117	L115-H119 PolarHBondContact O-N 2.82Å; L115-H119 VanDerWaalsContact O-N 3.1Å; S116-H119 PolarHBondContact O-N 3.3Å; S116-H119 VanDerWaalsContact O-N 3.11Å; Q117-H119 VanDerWaalsContact C-N 3.33Å; Q117-H119 PolarHBondContact O-ND1 3.13Å
120	I	97.1	Very high	98.2	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.118	20%	0.204	C	C	.	.			trans	-96.8	103.2	175.5	-62.4	169.9	0	0	0	108	P56 L86 L115 L118 C123	P56-I120 HydrophobicContact CG-CD1 4.07Å; P56-I120 HydrophobicContact CG-CG1 4.3Å; P56-I120 HydrophobicContact CG-CG2 3.62Å; L86-I120 HydrophobicContact CD1-CD1 4.1Å; L86-I120 HydrophobicContact CD2-CD1 3.77Å; L115-I120 HydrophobicContact CB-CB 4.33Å; L115-I120 HydrophobicContact CD2-CB 4.02Å; L115-I120 HydrophobicContact CD2-CD1 4.07Å; L115-I120 HydrophobicContact CD2-CG2 3.94Å; L115-I120 PolarHBondContact O-N 2.58Å; L118-I120 HydrophobicContact CB-CD1 3.78Å; L118-I120 HydrophobicContact CB-CG1 3.93Å; L118-I120 HydrophobicContact CD1-CD1 4.08Å; L118-I120 PolarHBondContact O-N 3.37Å; I120-C123 HydrophobicContact CG2-CB 4.06Å
121	E	96.8	Very high	98.2	Very high	170 Å²	170	41.9 Å²	41.9	79%	0.794	21%	0.205	S	C	*	.			trans	-76	-30	179.9	-61.5	-175.6	172.1	0	0	112.8	L145	E121-L145 WeakPolarHBondContact O-CD2 3.4Å
122	K	97.8	Very high	98.2	Very high	95 Å²	95	41.8 Å²	41.8	41%	0.413	21%	0.205	S	C	.	.			trans	-150.9	139.6	-176.2	-156	174.9	-166.1	-174.3	0	111.4	T55 P56 L145 E147	T55-K122 HydrophobicContact CG2-CB 4.22Å; P56-K122 WeakPolarHBondContact CD-O 3.22Å; K122-L145 WeakPolarHBondContact CA-O 3.49Å; K122-E147 HydrophobicContact CD-CB 4.16Å; K122-E147 HydrophobicContact CG-CB 4.09Å
123	C	98.6	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	165.6	-178.2	65	0	0	0	0	112.4	P56 V58 I120 L125 L145 V146 E147	P56-C123 HydrophobicContact CG-CB 4.06Å; P56-C123 WeakPolarHBondContact O-CA 3.21Å; P56-C123 WeakPolarHBondContact O-CB 3.46Å; V58-C123 HydrophobicContact CG2-CB 3.79Å; I120-C123 HydrophobicContact CG2-CB 4.06Å; C123-L125 WeakPolarHBondContact SG-CD2 3.21Å; C123-L145 PolarHBondContact N-O 2.92Å; C123-L145 PolarHBondContact SG-O 2.87Å; C123-V146 WeakPolarHBondContact O-CA 3.38Å; C123-E147 PolarHBondContact O-N 3.05Å
124	V	98.8	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	123.5	163.2	178.1	0	0	0	0	107.8	P56 L57 V58 I126 E147 R148 L302	P56-V124 PolarHBondContact O-N 3.43Å; L57-V124 HydrophobicContact CD2-CB 3.67Å; L57-V124 HydrophobicContact CD2-CG1 4.11Å; L57-V124 HydrophobicContact CD2-CG2 3.97Å; V58-V124 PolarHBondContact N-O 3.48Å; V124-I126 HydrophobicContact CB-CD1 4.49Å; V124-I126 HydrophobicContact CG1-CD1 3.89Å; V124-I126 HydrophobicContact CG1-CG1 4.34Å; V124-E147 HydrophobicContact CG2-CB 4.38Å; V124-R148 WeakPolarHBondContact CA-O 3.35Å; V124-R148 HydrophobicContact CG1-CB 4.1Å; V124-R148 HydrophobicContact CG2-CB 4.19Å; V124-L302 HydrophobicContact CB-CD2 4.38Å; V124-L302 HydrophobicContact CG1-CD2 3.99Å; V124-L302 HydrophobicContact CG2-CD2 3.83Å
125	L	98.9	Very high	98.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.8	177.4	-66	-175.4	0	0	0	110.3	V58 L111 C123 A135 T138 V146 R148 L149 V150	V58-L125 HydrophobicContact CB-CD2 3.94Å; V58-L125 HydrophobicContact CG1-CD2 4.31Å; L111-L125 HydrophobicContact CD2-CD1 4.1Å; L111-L125 HydrophobicContact CD2-CD2 3.89Å; C123-L125 WeakPolarHBondContact SG-CD2 3.21Å; L125-A135 HydrophobicContact CB-CB 4.06Å; L125-A135 HydrophobicContact CD1-CB 4.32Å; L125-T138 HydrophobicContact CD1-CG2 3.8Å; L125-V146 HydrophobicContact CB-CG1 4.41Å; L125-V146 HydrophobicContact CD1-CG1 4.24Å; L125-V146 HydrophobicContact CD1-CG2 3.56Å; L125-V146 HydrophobicContact CG-CG1 4.19Å; L125-V146 HydrophobicContact CG-CG2 4.15Å; L125-R148 PolarHBondContact N-O 3.06Å; L125-L149 HydrophobicContact CB-CD1 4.08Å; L125-V150 PolarHBondContact O-N 2.71Å
126	I	98.9	Very high	98.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	112.5	173.2	-55.3	98.3	0	0	0	108.4	L57 V58 F59 L60 V124 V150 V152 F294 I298	L57-I126 HydrophobicContact CB-CD1 3.8Å; L57-I126 HydrophobicContact CD2-CD1 4.38Å; V58-I126 PolarHBondContact O-N 2.95Å; F59-I126 CarbonylContact C-O 3.47Å; F59-I126 VanDerWaalsContact CA-O 3.29Å; F59-I126 WeakPolarHBondContact CA-O 3.46Å; F59-I126 HydrophobicContact CD1-CB 4.04Å; F59-I126 HydrophobicContact CD1-CG2 3.89Å; F59-I126 HydrophobicContact CD2-CD1 4.26Å; F59-I126 HydrophobicContact CE1-CB 3.93Å; F59-I126 HydrophobicContact CE1-CG2 3.53Å; F59-I126 HydrophobicContact CE2-CB 4.44Å; F59-I126 HydrophobicContact CE2-CD1 3.88Å; F59-I126 HydrophobicContact CE2-CG1 4.46Å; F59-I126 HydrophobicContact CG-CB 4.35Å; F59-I126 HydrophobicContact CZ-CB 4.13Å; F59-I126 HydrophobicContact CZ-CD1 4.15Å; F59-I126 HydrophobicContact CZ-CG1 4.25Å; F59-I126 HydrophobicContact CZ-CG2 4.04Å; L60-I126 PolarHBondContact N-O 3.34Å; V124-I126 HydrophobicContact CB-CD1 4.49Å; V124-I126 HydrophobicContact CG1-CD1 3.89Å; V124-I126 HydrophobicContact CG1-CG1 4.34Å; I126-V150 WeakPolarHBondContact CA-O 3.39Å; I126-V150 HydrophobicContact CB-CB 4.28Å; I126-V150 HydrophobicContact CG1-CB 3.89Å; I126-V150 HydrophobicContact CG1-CG2 4.04Å; I126-V150 HydrophobicContact CG2-CB 4.09Å; I126-V150 HydrophobicContact CG2-CG1 4.17Å; I126-V152 HydrophobicContact CG2-CG2 3.91Å; I126-F294 HydrophobicContact CG2-CZ 4.3Å; I126-I298 HydrophobicContact CG2-CD1 4.34Å
127	G	98.8	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.7	-174.5	0	0	0	0	0	112.9	L60 G131 G132 V150 V152	L60-G127 WeakPolarHBondContact O-CA 3.5Å; G127-G131 VanDerWaalsContact CA-C 3.48Å; G127-G132 VanDerWaalsContact C-CA 3.41Å; G127-G132 WeakPolarHBondContact O-CA 3.38Å; G127-V150 PolarHBondContact N-O 3.21Å; G127-V152 WeakPolarHBondContact O-CB 3.41Å; G127-V152 PolarHBondContact O-N 3.3Å
128	H	98.6	Very high	98.3	Very high	9 Å²	9	25.9 Å²	25.9	4%	0.042	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.5	173.6	174.1	-120.9	0	0	0	111.7	L60 H61 G62 F70 M130 G131 G132 V152 H284 H287	L60-H128 PolarHBondContact O-N 3.43Å; H61-H128 CarbonylContact C-O 3.46Å; G62-H128 VanDerWaalsContact CA-O 3.24Å; G62-H128 WeakPolarHBondContact CA-O 3.42Å; G62-H128 PolarHBondContact N-O 2.94Å; F70-H128 HydrophobicContact CZ-CB 4.09Å; H128-M130 PolarHBondContact O-N 2.99Å; H128-M130 VanDerWaalsContact O-N 3.12Å; H128-G131 WeakPolarHBondContact O-CA 3.42Å; H128-G131 PolarHBondContact O-N 2.95Å; H128-G132 PolarHBondContact O-N 3.42Å; H128-V152 WeakPolarHBondContact CA-O 3.38Å; H128-V152 HydrophobicContact CB-CB 4.21Å; H128-V152 PolarHBondContact CD2-O 2.97Å; H128-H284 AromaticContact CE1-CD2 3.97Å; H128-H284 AromaticContact CE1-NE2 3.72Å; H128-H284 AromaticContact NE2-CD2 3.77Å; H128-H284 AromaticContact NE2-CE1 3.65Å; H128-H284 AromaticContact NE2-ND1 3.97Å; H128-H284 AromaticContact NE2-NE2 3.51Å; H128-H284 PolarHBondContact NE2-O 3.11Å; H128-H287 AromaticContact CE1-CE1 3.86Å; H128-H287 AromaticContact CG-CE1 3.99Å; H128-H287 AromaticContact ND1-CE1 3.65Å
129	S	97	Very high	98.3	Very high	9 Å²	9	23.5 Å²	23.5	6%	0.063	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-116.7	172.1	-167.1	0	0	0	0	112.2	G131 G132 K133 V152 I154 H284	S129-G131 VanDerWaalsContact C-N 3.28Å; S129-G131 PolarHBondContact O-N 2.66Å; S129-G132 WeakPolarHBondContact O-CA 3.34Å; S129-G132 PolarHBondContact O-N 3.27Å; S129-K133 PolarHBondContact O-N 3.38Å; S129-V152 PolarHBondContact N-O 2.86Å; S129-I154 WeakPolarHBondContact O-CG2 3.29Å; S129-H284 WeakPolarHBondContact CB-NE2 3.32Å; S129-H284 PolarHBondContact OG-NE2 3.39Å
130	M	98.1	Very high	98.4	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.02	8%	0.075	C	C	.	.	H	α-helix	trans	-48.3	-47.9	170.8	-176	-171.1	70.1	0	0	112.5	L63 A90 Y104 M107 H128 G132 K133 T134 I234	L63-M130 HydrophobicContact CB-CB 4.36Å; L63-M130 HydrophobicContact CB-SD 4.47Å; L63-M130 HydrophobicContact CD1-SD 4.12Å; A90-M130 HydrophobicContact CB-CE 3.93Å; Y104-M130 HydrophobicContact CE1-CG 4.33Å; M107-M130 HydrophobicContact CE-CG 4.11Å; M107-M130 HydrophobicContact CE-SD 4.47Å; M107-M130 HydrophobicContact SD-CE 4.42Å; M107-M130 HydrophobicContact SD-CG 4.34Å; M107-M130 HydrophobicContact SD-SD 4.2Å; H128-M130 PolarHBondContact O-N 2.99Å; H128-M130 VanDerWaalsContact O-N 3.12Å; M130-G132 VanDerWaalsContact C-N 3.25Å; M130-G132 PolarHBondContact O-N 3.23Å; M130-K133 PolarHBondContact O-N 2.99Å; M130-T134 PolarHBondContact O-N 3.02Å; M130-T134 PolarHBondContact O-OG1 2.95Å; M130-I234 HydrophobicContact CG-CG2 4.3Å
131	G	98.7	Very high	98.4	Very high	2 Å²	2	18 Å²	18	2%	0.021	9%	0.09	C	C	.	.	H	α-helix	trans	-64.2	-28.6	176.7	0	0	0	0	0	113.3	H61 G127 H128 S129 T134 A135	H61-G131 WeakPolarHBondContact O-CA 3.12Å; H61-G131 PolarHBondContact O-N 3.26Å; H61-G131 VanDerWaalsContact O-N 3.09Å; G127-G131 VanDerWaalsContact CA-C 3.48Å; H128-G131 WeakPolarHBondContact O-CA 3.42Å; H128-G131 PolarHBondContact O-N 2.95Å; S129-G131 VanDerWaalsContact C-N 3.28Å; S129-G131 PolarHBondContact O-N 2.66Å; G131-T134 PolarHBondContact O-N 3.43Å; G131-A135 WeakPolarHBondContact O-CB 3.32Å; G131-A135 PolarHBondContact O-N 3.17Å
132	G	98.7	Very high	98.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-68.5	-42.7	173.5	0	0	0	0	0	112.1	G127 H128 S129 M130 A135 M136	G127-G132 VanDerWaalsContact C-CA 3.41Å; G127-G132 WeakPolarHBondContact O-CA 3.38Å; H128-G132 PolarHBondContact O-N 3.42Å; S129-G132 WeakPolarHBondContact O-CA 3.34Å; S129-G132 PolarHBondContact O-N 3.27Å; M130-G132 VanDerWaalsContact C-N 3.25Å; M130-G132 PolarHBondContact O-N 3.23Å; G132-A135 PolarHBondContact O-N 3.23Å; G132-M136 WeakPolarHBondContact O-CB 3.46Å; G132-M136 WeakPolarHBondContact O-CG 3.45Å; G132-M136 PolarHBondContact O-N 2.87Å
133	K	98.6	Very high	98.5	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.009	6%	0.059	C	C	.	.	H	α-helix	trans	-66.1	-35.6	172.8	-73.6	178	169.1	-179	0	112.6	Y104 S129 M130 M136 T137 I154 S155 A157 I234 M235 S236 F237	Y104-K133 HydrophobicContact CD1-CB 3.8Å; Y104-K133 HydrophobicContact CE1-CB 3.22Å; Y104-K133 HydrophobicContact CE1-CD 4.33Å; Y104-K133 HydrophobicContact CE1-CG 4.39Å; Y104-K133 HydrophobicContact CE2-CB 4.05Å; Y104-K133 HydrophobicContact CE2-CD 3.96Å; Y104-K133 HydrophobicContact CG-CB 4.47Å; Y104-K133 WeakPolarHBondContact OH-CD 3.43Å; S129-K133 PolarHBondContact O-N 3.38Å; M130-K133 PolarHBondContact O-N 2.99Å; K133-M136 HydrophobicContact CB-CE 4.17Å; K133-M136 HydrophobicContact CG-CE 3.62Å; K133-T137 WeakPolarHBondContact O-CB 3.36Å; K133-T137 PolarHBondContact O-N 2.78Å; K133-T137 PolarHBondContact O-OG1 3.29Å; K133-I154 HydrophobicContact CD-CG1 4.07Å; K133-I154 HydrophobicContact CG-CG1 3.83Å; K133-S155 WeakPolarHBondContact CE-O 2.99Å; K133-A157 PolarHBondContact NZ-O 3.06Å; K133-A157 VanDerWaalsContact NZ-O 3.14Å; K133-I234 PolarHBondContact NZ-O 3.01Å; K133-M235 PolarHBondContact NZ-O 3.33Å; K133-S236 WeakPolarHBondContact CD-O 3.28Å; K133-S236 WeakPolarHBondContact CE-O 3.37Å; K133-S236 PolarHBondContact NZ-O 3.35Å; K133-F237 HydrophobicContact CB-CD2 4.05Å; K133-F237 HydrophobicContact CB-CE2 4.22Å; K133-F237 HydrophobicContact CD-CD2 4.19Å; K133-F237 HydrophobicContact CG-CD2 3.81Å; K133-F237 HydrophobicContact CG-CE2 4.31Å
134	T	98.8	Very high	98.4	Very high	8 Å²	8	14.2 Å²	14.2	5%	0.049	9%	0.09	C	C	.	.	H	α-helix	trans	-62.6	-45.9	169.3	-58.4	0	0	0	0	111.6	L60 M107 M130 G131 T137 T138	L60-T134 HydrophobicContact CD1-CG2 3.98Å; M107-T134 HydrophobicContact CB-CG2 3.62Å; M107-T134 WeakPolarHBondContact CE-OG1 3.27Å; M107-T134 PolarHBondContact SD-OG1 3.43Å; M130-T134 PolarHBondContact O-N 3.02Å; M130-T134 PolarHBondContact O-OG1 2.95Å; G131-T134 PolarHBondContact O-N 3.43Å; T134-T137 PolarHBondContact O-N 2.95Å; T134-T138 PolarHBondContact O-N 2.67Å; T134-T138 PolarHBondContact O-OG1 3.05Å; T134-T138 VanDerWaalsContact O-OG1 3.05Å
135	A	98.9	Very high	98.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.9	-43.3	178.6	0	0	0	0	0	112.2	L60 L125 G131 G132 T138 A139 L149	L60-A135 HydrophobicContact CD1-CB 4.06Å; L125-A135 HydrophobicContact CB-CB 4.06Å; L125-A135 HydrophobicContact CD1-CB 4.32Å; G131-A135 WeakPolarHBondContact O-CB 3.32Å; G131-A135 PolarHBondContact O-N 3.17Å; G132-A135 PolarHBondContact O-N 3.23Å; A135-T138 PolarHBondContact O-N 2.78Å; A135-A139 WeakPolarHBondContact O-CB 3.19Å; A135-A139 PolarHBondContact O-N 2.93Å; A135-L149 HydrophobicContact CB-CD1 3.54Å
136	M	98.8	Very high	98.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.5	-48.1	173.3	-77	-170.3	-65.1	0	0	111.5	G132 K133 T138 A139 L140 L149 V151 I154 P156 F237 F250 F271	G132-M136 WeakPolarHBondContact O-CB 3.46Å; G132-M136 WeakPolarHBondContact O-CG 3.45Å; G132-M136 PolarHBondContact O-N 2.87Å; K133-M136 HydrophobicContact CB-CE 4.17Å; K133-M136 HydrophobicContact CG-CE 3.62Å; M136-T138 VanDerWaalsContact C-N 3.34Å; M136-T138 PolarHBondContact O-N 3.32Å; M136-A139 PolarHBondContact O-N 2.74Å; M136-L140 WeakPolarHBondContact O-CB 3.49Å; M136-L140 VanDerWaalsContact O-CG 3.27Å; M136-L140 WeakPolarHBondContact O-CG 3.2Å; M136-L140 PolarHBondContact O-N 3.11Å; M136-L149 HydrophobicContact CG-CD2 4.22Å; M136-V151 HydrophobicContact CE-CG1 4.26Å; M136-V151 HydrophobicContact CG-CG1 4.4Å; M136-V151 HydrophobicContact CG-CG2 3.65Å; M136-V151 HydrophobicContact SD-CG1 4.13Å; M136-V151 HydrophobicContact SD-CG2 4.14Å; M136-I154 HydrophobicContact CE-CG2 4.39Å; M136-P156 HydrophobicContact CE-CB 4.26Å; M136-P156 HydrophobicContact SD-CB 4.07Å; M136-P156 HydrophobicContact SD-CG 4.31Å; M136-F237 HydrophobicContact CB-CE2 3.9Å; M136-F237 HydrophobicContact CB-CZ 3.93Å; M136-F237 HydrophobicContact CE-CD2 4.21Å; M136-F237 HydrophobicContact CE-CE2 3.87Å; M136-F250 HydrophobicContact SD-CE1 3.81Å; M136-F250 HydrophobicContact SD-CZ 3.83Å; M136-F271 HydrophobicContact CB-CE2 4.37Å; M136-F271 HydrophobicContact CB-CZ 3.68Å; M136-F271 HydrophobicContact CG-CE1 4.33Å; M136-F271 HydrophobicContact CG-CE2 3.92Å; M136-F271 HydrophobicContact CG-CZ 3.54Å; M136-F271 HydrophobicContact SD-CE2 3.68Å; M136-F271 HydrophobicContact SD-CZ 3.95Å
137	T	98.7	Very high	98.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-42.7	178.9	-57	0	0	0	0	111.4	Y104 A108 K133 T134 L140 T141 L240	Y104-T137 WeakPolarHBondContact CB-OG1 3.41Å; A108-T137 HydrophobicContact CB-CG2 4.05Å; K133-T137 WeakPolarHBondContact O-CB 3.36Å; K133-T137 PolarHBondContact O-N 2.78Å; K133-T137 PolarHBondContact O-OG1 3.29Å; T134-T137 PolarHBondContact O-N 2.95Å; T137-L140 PolarHBondContact O-N 3.22Å; T137-T141 HydrophobicContact CG2-CG2 4.37Å; T137-T141 WeakPolarHBondContact O-CB 3.36Å; T137-T141 WeakPolarHBondContact O-CG2 3.15Å; T137-T141 PolarHBondContact O-N 3.29Å; T137-T141 PolarHBondContact O-OG1 2.83Å; T137-L240 HydrophobicContact CG2-CD1 4.41Å
138	T	98.8	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-45.5	174.6	-58.7	0	0	0	0	111.8	A108 L111 L125 T134 A135 M136 L140 T141 Q142 V146	A108-T138 WeakPolarHBondContact CB-OG1 3.39Å; L111-T138 HydrophobicContact CD2-CG2 4.08Å; L125-T138 HydrophobicContact CD1-CG2 3.8Å; T134-T138 PolarHBondContact O-N 2.67Å; T134-T138 PolarHBondContact O-OG1 3.05Å; T134-T138 VanDerWaalsContact O-OG1 3.05Å; A135-T138 PolarHBondContact O-N 2.78Å; M136-T138 VanDerWaalsContact C-N 3.34Å; M136-T138 PolarHBondContact O-N 3.32Å; T138-L140 VanDerWaalsContact C-N 3.33Å; T138-L140 PolarHBondContact O-N 3.07Å; T138-T141 PolarHBondContact O-N 3.09Å; T138-Q142 HydrophobicContact CG2-CB 4.47Å; T138-Q142 CarbonylContact O-C 3.53Å; T138-Q142 VanDerWaalsContact O-CA 3.28Å; T138-Q142 WeakPolarHBondContact O-CA 3.26Å; T138-Q142 WeakPolarHBondContact O-CB 3.29Å; T138-Q142 PolarHBondContact O-N 3.36Å; T138-V146 HydrophobicContact CG2-CG2 4.25Å
139	A	98.8	Very high	98.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.1	-39.6	179	0	0	0	0	0	112.3	A135 M136 P143 V146 L149 Y244	A135-A139 WeakPolarHBondContact O-CB 3.19Å; A135-A139 PolarHBondContact O-N 2.93Å; M136-A139 PolarHBondContact O-N 2.74Å; A139-P143 VanDerWaalsContact O-CA 3.29Å; A139-P143 WeakPolarHBondContact O-CA 3.48Å; A139-P143 WeakPolarHBondContact O-CB 3.31Å; A139-V146 HydrophobicContact CB-CB 4.43Å; A139-V146 HydrophobicContact CB-CG1 4.36Å; A139-V146 HydrophobicContact CB-CG2 4.12Å; A139-L149 HydrophobicContact CB-CD2 3.97Å; A139-Y244 HydrophobicContact CB-CD1 4.04Å; A139-Y244 HydrophobicContact CB-CD2 3.83Å; A139-Y244 HydrophobicContact CB-CE1 4.29Å; A139-Y244 HydrophobicContact CB-CE2 4.12Å; A139-Y244 HydrophobicContact CB-CG 3.78Å; A139-Y244 WeakPolarHBondContact O-CD2 3.31Å
140	L	98.6	Very high	98.5	Very high	8 Å²	8	18.9 Å²	18.9	4%	0.042	11%	0.109	C	C	.	.	H	α-helix	trans	-74.5	-29.8	-179.5	-72.6	170.3	0	0	0	113.9	M136 T137 T138 F237 L240 S242 L270 F271	M136-L140 WeakPolarHBondContact O-CB 3.49Å; M136-L140 VanDerWaalsContact O-CG 3.27Å; M136-L140 WeakPolarHBondContact O-CG 3.2Å; M136-L140 PolarHBondContact O-N 3.11Å; T137-L140 PolarHBondContact O-N 3.22Å; T138-L140 VanDerWaalsContact C-N 3.33Å; T138-L140 PolarHBondContact O-N 3.07Å; L140-F237 HydrophobicContact CD1-CE1 4.19Å; L140-F237 HydrophobicContact CD1-CZ 3.95Å; L140-L240 HydrophobicContact CB-CD1 3.94Å; L140-L240 HydrophobicContact CD1-CB 4.32Å; L140-L240 HydrophobicContact CD1-CD1 3.65Å; L140-L240 HydrophobicContact CG-CD1 4.47Å; L140-S242 WeakPolarHBondContact CD2-O 3.47Å; L140-S242 WeakPolarHBondContact O-CB 3.29Å; L140-S242 PolarHBondContact O-OG 3.42Å; L140-L270 HydrophobicContact CD1-CD1 4.3Å; L140-L270 HydrophobicContact CD1-CD2 4.12Å; L140-L270 HydrophobicContact CD2-CB 4.29Å; L140-L270 HydrophobicContact CD2-CD2 4.09Å; L140-F271 HydrophobicContact CD1-CE1 4.41Å; L140-F271 HydrophobicContact CD1-CE2 4.43Å; L140-F271 HydrophobicContact CD1-CZ 3.74Å; L140-F271 HydrophobicContact CD2-CE1 4.12Å; L140-F271 HydrophobicContact CD2-CZ 4.17Å; L140-F271 HydrophobicContact CG-CE1 4Å; L140-F271 HydrophobicContact CG-CZ 3.84Å
141	T	97.9	Very high	98.5	Very high	69 Å²	69	18.7 Å²	18.7	42%	0.423	11%	0.108	S	C	.	.	H	α-helix	trans	-101.6	-23.3	-176.9	58.5	0	0	0	0	113.1	T137 T138 L240	T137-T141 HydrophobicContact CG2-CG2 4.37Å; T137-T141 WeakPolarHBondContact O-CB 3.36Å; T137-T141 WeakPolarHBondContact O-CG2 3.15Å; T137-T141 PolarHBondContact O-N 3.29Å; T137-T141 PolarHBondContact O-OG1 2.83Å; T138-T141 PolarHBondContact O-N 3.09Å; T141-L240 HydrophobicContact CG2-CD1 4.48Å; T141-L240 HydrophobicContact CG2-CD2 4.41Å
142	Q	97.4	Very high	98.5	Very high	26 Å²	26	18.6 Å²	18.6	12%	0.121	11%	0.108	C	C	.	.			trans	-141.2	56.2	-173.4	-55.6	-179.9	67.3	0	0	111.1	A108 K112 T138 S144 L145	A108-Q142 PolarHBondContact O-NE2 3.15Å; K112-Q142 VanDerWaalsContact CB-OE1 3.27Å; T138-Q142 HydrophobicContact CG2-CB 4.47Å; T138-Q142 CarbonylContact O-C 3.53Å; T138-Q142 VanDerWaalsContact O-CA 3.28Å; T138-Q142 WeakPolarHBondContact O-CA 3.26Å; T138-Q142 WeakPolarHBondContact O-CB 3.29Å; T138-Q142 PolarHBondContact O-N 3.36Å; Q142-S144 PolarHBondContact O-N 3.34Å; Q142-L145 HydrophobicContact CB-CD1 3.86Å; Q142-L145 HydrophobicContact CB-CG 4.26Å; Q142-L145 PolarHBondContact O-N 3.21Å; Q142-L145 VanDerWaalsContact OE1-CD1 3.27Å
143	P	98	Very high	98.5	Very high	68 Å²	68	18.7 Å²	18.7	44%	0.442	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-58.9	-27.5	-170.9	23.9	-35.8	0	0	0	113.9	A139 L145 V146 Y244	A139-P143 VanDerWaalsContact O-CA 3.29Å; A139-P143 WeakPolarHBondContact O-CA 3.48Å; A139-P143 WeakPolarHBondContact O-CB 3.31Å; P143-L145 PolarHBondContact O-N 2.98Å; P143-V146 PolarHBondContact O-N 3.12Å; P143-V146 VanDerWaalsContact O-N 3.15Å; P143-Y244 HydrophobicContact CB-CD2 3.9Å; P143-Y244 HydrophobicContact CB-CE2 4.15Å
144	S	97.8	Very high	98.4	Very high	92 Å²	92	18.7 Å²	18.7	64%	0.643	11%	0.108	S	C	*	.	G	3₁₀ helix	trans	-62.6	-25.7	179	60.3	0	0	0	0	113.6	Q142 V146	Q142-S144 PolarHBondContact O-N 3.34Å; S144-V146 VanDerWaalsContact C-N 3.31Å
145	L	98.2	Very high	98.3	Very high	23 Å²	23	18.3 Å²	18.3	12%	0.12	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-78.6	-15.3	179.2	-62.1	178.9	0	0	0	113.1	K112 E121 K122 C123 Q142 P143	K112-L145 HydrophobicContact CB-CD1 4.29Å; K112-L145 HydrophobicContact CG-CD1 4.1Å; E121-L145 WeakPolarHBondContact O-CD2 3.4Å; K122-L145 WeakPolarHBondContact CA-O 3.49Å; C123-L145 PolarHBondContact N-O 2.92Å; C123-L145 PolarHBondContact SG-O 2.87Å; Q142-L145 HydrophobicContact CB-CD1 3.86Å; Q142-L145 HydrophobicContact CB-CG 4.26Å; Q142-L145 PolarHBondContact O-N 3.21Å; Q142-L145 VanDerWaalsContact OE1-CD1 3.27Å; P143-L145 PolarHBondContact O-N 2.98Å
146	V	98.7	Very high	98.2	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.024	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.5	-167	-168.1	0	0	0	0	110	C123 L125 T138 A139 P143 S144 R148 L149 Y244	C123-V146 WeakPolarHBondContact O-CA 3.38Å; L125-V146 HydrophobicContact CB-CG1 4.41Å; L125-V146 HydrophobicContact CD1-CG1 4.24Å; L125-V146 HydrophobicContact CD1-CG2 3.56Å; L125-V146 HydrophobicContact CG-CG1 4.19Å; L125-V146 HydrophobicContact CG-CG2 4.15Å; T138-V146 HydrophobicContact CG2-CG2 4.25Å; A139-V146 HydrophobicContact CB-CB 4.43Å; A139-V146 HydrophobicContact CB-CG1 4.36Å; A139-V146 HydrophobicContact CB-CG2 4.12Å; P143-V146 PolarHBondContact O-N 3.12Å; P143-V146 VanDerWaalsContact O-N 3.15Å; S144-V146 VanDerWaalsContact C-N 3.31Å; V146-R148 WeakPolarHBondContact CG1-O 3.31Å; V146-L149 HydrophobicContact CG1-CB 4.29Å; V146-Y244 HydrophobicContact CB-CE2 4.04Å; V146-Y244 HydrophobicContact CG1-CE2 4.38Å; V146-Y244 WeakPolarHBondContact CG1-OH 3.35Å; V146-Y244 PolarHBondContact O-OH 3.31Å
147	E	98.4	Very high	97.8	Very high	41 Å²	41	19.7 Å²	19.7	19%	0.192	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-48.6	172.5	-173.4	-170.1	100.8	0	0	112	T55 R83 K122 C123 V124	T55-E147 WeakPolarHBondContact CB-OE2 3.37Å; T55-E147 WeakPolarHBondContact CG2-OE2 3.28Å; T55-E147 PolarHBondContact OG1-OE1 3.47Å; T55-E147 PolarHBondContact OG1-OE2 2.92Å; R83-E147 IonicContact NH1-OE1 3.69Å; R83-E147 IonicContact NH2-OE1 2.73Å; K122-E147 HydrophobicContact CD-CB 4.16Å; K122-E147 HydrophobicContact CG-CB 4.09Å; C123-E147 PolarHBondContact O-N 3.05Å; V124-E147 HydrophobicContact CG2-CB 4.38Å
148	R	98.8	Very high	97.2	Very high	48 Å²	48	24.9 Å²	24.9	18%	0.181	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.6	178.4	-63.8	-178.9	167.4	73.8	-1.9	108.4	V124 L125 V146 P247 F301 S304	V124-R148 WeakPolarHBondContact CA-O 3.35Å; V124-R148 HydrophobicContact CG1-CB 4.1Å; V124-R148 HydrophobicContact CG2-CB 4.19Å; L125-R148 PolarHBondContact N-O 3.06Å; V146-R148 WeakPolarHBondContact CG1-O 3.31Å; R148-P247 WeakPolarHBondContact CA-O 3.5Å; R148-P247 HydrophobicContact CG-CB 4.12Å; R148-P247 HydrophobicContact CG-CG 4.25Å; R148-F301 HydrophobicContact CB-CE1 3.74Å; R148-F301 HydrophobicContact CB-CZ 4.06Å; R148-F301 HydrophobicContact CG-CE1 4.39Å; R148-F301 HydrophobicContact CG-CZ 4.47Å; R148-S304 PolarHBondContact NH2-O 3.06Å
149	L	98.9	Very high	96.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.4	180	176.6	63.5	0	0	0	110.4	L125 A135 M136 A139 V146 V151 Y244 P247 T248 L249 F271	L125-L149 HydrophobicContact CB-CD1 4.08Å; A135-L149 HydrophobicContact CB-CD1 3.54Å; M136-L149 HydrophobicContact CG-CD2 4.22Å; A139-L149 HydrophobicContact CB-CD2 3.97Å; V146-L149 HydrophobicContact CG1-CB 4.29Å; L149-V151 HydrophobicContact CD1-CG2 4.12Å; L149-V151 HydrophobicContact CD2-CG2 3.84Å; L149-V151 HydrophobicContact CG-CG2 3.77Å; L149-Y244 HydrophobicContact CB-CE1 4.01Å; L149-Y244 HydrophobicContact CD2-CD1 4.5Å; L149-P247 PolarHBondContact N-O 3.46Å; L149-T248 HydrophobicContact CB-CG2 4.11Å; L149-T248 HydrophobicContact CD2-CG2 3.85Å; L149-T248 HydrophobicContact CG-CG2 4.03Å; L149-T248 CarbonylContact O-C 3.51Å; L149-T248 VanDerWaalsContact O-CA 3.31Å; L149-T248 WeakPolarHBondContact O-CA 3.33Å; L149-L249 PolarHBondContact O-N 3.14Å; L149-F271 HydrophobicContact CD2-CD1 4.01Å; L149-F271 HydrophobicContact CD2-CE1 3.64Å; L149-F271 HydrophobicContact CD2-CZ 4.34Å
150	V	98.9	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	110.9	169.8	-174.6	0	0	0	0	108.8	L125 I126 G127 V152 L249 F301	L125-V150 PolarHBondContact O-N 2.71Å; I126-V150 WeakPolarHBondContact CA-O 3.39Å; I126-V150 HydrophobicContact CB-CB 4.28Å; I126-V150 HydrophobicContact CG1-CB 3.89Å; I126-V150 HydrophobicContact CG1-CG2 4.04Å; I126-V150 HydrophobicContact CG2-CB 4.09Å; I126-V150 HydrophobicContact CG2-CG1 4.17Å; G127-V150 PolarHBondContact N-O 3.21Å; V150-V152 HydrophobicContact CG1-CG2 4.01Å; V150-L249 CarbonylContact C-O 3.55Å; V150-L249 WeakPolarHBondContact CA-O 3.3Å; V150-L249 HydrophobicContact CG1-CB 4.5Å; V150-L249 HydrophobicContact CG1-CD2 4.2Å; V150-L249 HydrophobicContact CG1-CG 4.47Å; V150-L249 HydrophobicContact CG2-CB 4.46Å; V150-F301 HydrophobicContact CG2-CD1 3.57Å; V150-F301 HydrophobicContact CG2-CE1 3.6Å
151	V	98.9	Very high	93.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.2	177.3	-173.6	0	0	0	0	108.6	M136 L149 I154 L249 F250 L251	M136-V151 HydrophobicContact CE-CG1 4.26Å; M136-V151 HydrophobicContact CG-CG1 4.4Å; M136-V151 HydrophobicContact CG-CG2 3.65Å; M136-V151 HydrophobicContact SD-CG1 4.13Å; M136-V151 HydrophobicContact SD-CG2 4.14Å; L149-V151 HydrophobicContact CD1-CG2 4.12Å; L149-V151 HydrophobicContact CD2-CG2 3.84Å; L149-V151 HydrophobicContact CG-CG2 3.77Å; V151-I154 HydrophobicContact CG1-CG2 3.35Å; V151-I154 VanDerWaalsContact CG1-O 3.29Å; V151-I154 WeakPolarHBondContact CG1-O 3.48Å; V151-L249 PolarHBondContact N-O 3.27Å; V151-F250 HydrophobicContact CB-CD1 3.73Å; V151-F250 HydrophobicContact CB-CE1 3.78Å; V151-F250 HydrophobicContact CB-CG 4.19Å; V151-F250 HydrophobicContact CB-CZ 4.28Å; V151-F250 HydrophobicContact CG1-CD1 3.82Å; V151-F250 HydrophobicContact CG1-CE1 3.69Å; V151-F250 HydrophobicContact CG2-CD1 4.29Å; V151-F250 HydrophobicContact CG2-CE1 3.91Å; V151-F250 HydrophobicContact CG2-CE2 4.33Å; V151-F250 HydrophobicContact CG2-CZ 3.93Å; V151-F250 WeakPolarHBondContact O-CA 3.32Å; V151-L251 PolarHBondContact O-N 3.39Å
152	V	98.8	Very high	91.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	112.1	-172.3	-170.8	0	0	0	0	109.7	I126 G127 H128 S129 V150 I154 I286 F294	I126-V152 HydrophobicContact CG2-CG2 3.91Å; G127-V152 WeakPolarHBondContact O-CB 3.41Å; G127-V152 PolarHBondContact O-N 3.3Å; H128-V152 WeakPolarHBondContact CA-O 3.38Å; H128-V152 HydrophobicContact CB-CB 4.21Å; H128-V152 PolarHBondContact CD2-O 2.97Å; S129-V152 PolarHBondContact N-O 2.86Å; V150-V152 HydrophobicContact CG1-CG2 4.01Å; V152-I154 PolarHBondContact O-N 2.89Å; V152-I286 HydrophobicContact CG1-CB 4.42Å; V152-I286 HydrophobicContact CG1-CD1 3.94Å; V152-F294 HydrophobicContact CB-CE2 4.36Å; V152-F294 HydrophobicContact CG1-CD2 4.48Å; V152-F294 HydrophobicContact CG1-CE2 3.69Å; V152-F294 HydrophobicContact CG1-CZ 4.29Å; V152-F294 HydrophobicContact CG2-CE2 3.67Å; V152-F294 HydrophobicContact CG2-CZ 3.95Å
153	D	97.4	Very high	90.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.185	C	C	.	.	S	Bend	trans	49.1	48.1	175.3	-149.5	60	0	0	0	115.8	L251 G252 G253 S256 Y258 H284 I286	D153-L251 PolarHBondContact N-O 2.88Å; D153-G252 VanDerWaalsContact OD1-CA 3.28Å; D153-G252 WeakPolarHBondContact OD1-CA 3.25Å; D153-G253 PolarHBondContact OD1-N 3.43Å; D153-S256 WeakPolarHBondContact OD1-CB 3.44Å; D153-S256 PolarHBondContact OD1-OG 2.85Å; D153-S256 WeakPolarHBondContact OD2-CB 3.37Å; D153-S256 PolarHBondContact OD2-OG 3.27Å; D153-Y258 VanDerWaalsContact O-CB 3.22Å; D153-Y258 WeakPolarHBondContact O-CB 3.47Å; D153-H284 PolarHBondContact O-CE1 2.79Å; D153-H284 PolarHBondContact O-ND1 3.32Å; D153-H284 WeakPolarHBondContact OD2-CA 3.24Å; D153-H284 IonicContact OD2-CE1 3.93Å; D153-H284 IonicContact OD2-CG 3.32Å; D153-H284 IonicContact OD2-ND1 3.51Å; D153-H284 PolarHBondContact OD2-ND1 3.48Å; D153-I286 HydrophobicContact CB-CD1 3.86Å; D153-I286 HydrophobicContact CB-CG1 4.3Å
154	I	97.6	Very high	90.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.182	C	C	.	.			trans	-156.6	154.3	174.5	-165.2	60.6	0	0	0	110.4	S129 K133 M136 V151 V152 T159 Y258	S129-I154 WeakPolarHBondContact O-CG2 3.29Å; K133-I154 HydrophobicContact CD-CG1 4.07Å; K133-I154 HydrophobicContact CG-CG1 3.83Å; M136-I154 HydrophobicContact CE-CG2 4.39Å; V151-I154 HydrophobicContact CG1-CG2 3.35Å; V151-I154 VanDerWaalsContact CG1-O 3.29Å; V151-I154 WeakPolarHBondContact CG1-O 3.48Å; V152-I154 PolarHBondContact O-N 2.89Å; I154-T159 HydrophobicContact CD1-CG2 3.91Å; I154-Y258 HydrophobicContact CD1-CD1 3.63Å; I154-Y258 HydrophobicContact CD1-CE1 4.26Å
155	S	96.3	Very high	89.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.			trans	-123.7	162.9	176	62.7	0	0	0	0	111	K133 A157 Y258 D263	K133-S155 WeakPolarHBondContact CE-O 2.99Å; S155-A157 PolarHBondContact O-N 3.42Å; S155-Y258 PolarHBondContact OG-O 3.08Å; S155-D263 VanDerWaalsContact OG-CG 3.28Å; S155-D263 PolarHBondContact OG-OD2 2.97Å; S155-D263 VanDerWaalsContact OG-OD2 3.07Å
156	P	95.8	Very high	89.4	Confident	8 Å²	8	35.4 Å²	35.4	5%	0.052	18%	0.175	C	C	.	.	S	Bend	trans	-74	42.1	173.3	33	-36.9	0	0	0	112.2	M136 F237 E266 I267 L270 F271	M136-P156 HydrophobicContact CE-CB 4.26Å; M136-P156 HydrophobicContact SD-CB 4.07Å; M136-P156 HydrophobicContact SD-CG 4.31Å; P156-F237 HydrophobicContact CB-CD1 3.49Å; P156-F237 VanDerWaalsContact CB-CD1 3.49Å; P156-F237 HydrophobicContact CB-CD2 4.3Å; P156-F237 HydrophobicContact CB-CE1 3.57Å; P156-F237 HydrophobicContact CB-CE2 4.38Å; P156-F237 HydrophobicContact CB-CG 3.88Å; P156-F237 HydrophobicContact CB-CZ 4.04Å; P156-E266 HydrophobicContact CB-CG 4.43Å; P156-E266 HydrophobicContact CG-CG 3.98Å; P156-I267 HydrophobicContact CG-CG1 4.04Å; P156-L270 HydrophobicContact CB-CD1 3.67Å; P156-L270 HydrophobicContact CG-CD1 3.92Å; P156-F271 HydrophobicContact CG-CE2 4.46Å
157	A	91	Very high	89	Confident	22 Å²	22	41.2 Å²	41.2	18%	0.182	20%	0.197	C	C	.	.	S	Bend	trans	-123.3	165.7	-178.8	0	0	0	0	0	111.5	K133 S155 D263	K133-A157 PolarHBondContact NZ-O 3.06Å; K133-A157 VanDerWaalsContact NZ-O 3.14Å; S155-A157 PolarHBondContact O-N 3.42Å; A157-D263 WeakPolarHBondContact CB-OD1 3.39Å
158	Q	85.9	Confident	88.8	Confident	110 Å²	110	40.1 Å²	40.1	51%	0.514	19%	0.191	S	C	.	.			trans	-71.8	128.9	172.1	-167.9	-179.8	9.2	0	0	109.8	T160 M235	Q158-T160 HydrophobicContact CG-CG2 3.9Å; Q158-T160 WeakPolarHBondContact CG-OG1 3.47Å; Q158-T160 PolarHBondContact NE2-OG1 2.78Å; Q158-M235 CarbonylContact C-O 3.51Å; Q158-M235 WeakPolarHBondContact CA-O 3.42Å
159	T	80.1	Confident	88.6	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.012	18%	0.184	C	C	.	.			trans	-116.6	10.2	-177.2	51.6	0	0	0	0	112.9	I154 T161 R162 M235 Y258	I154-T159 HydrophobicContact CD1-CG2 3.91Å; T159-T161 VanDerWaalsContact C-N 3.3Å; T159-T161 PolarHBondContact O-N 3.41Å; T159-R162 WeakPolarHBondContact O-CB 3.49Å; T159-R162 PolarHBondContact O-N 3.42Å; T159-M235 PolarHBondContact N-O 2.97Å; T159-M235 WeakPolarHBondContact O-CE 3.47Å; T159-M235 WeakPolarHBondContact OG1-CE 3.5Å; T159-M235 PolarHBondContact OG1-O 3.31Å; T159-M235 VanDerWaalsContact OG1-O 3.14Å; T159-Y258 HydrophobicContact CG2-CD1 4.18Å
160	T	68.4	Low	88.3	Confident	35 Å²	35	41.7 Å²	41.7	22%	0.215	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-52.3	-41.2	-177.5	44.4	0	0	0	0	114	Q158 R162 E232 M235	Q158-T160 HydrophobicContact CG-CG2 3.9Å; Q158-T160 WeakPolarHBondContact CG-OG1 3.47Å; Q158-T160 PolarHBondContact NE2-OG1 2.78Å; T160-R162 PolarHBondContact O-N 3.29Å; T160-E232 WeakPolarHBondContact CG2-OE2 3.42Å; T160-M235 HydrophobicContact CG2-CB 3.44Å; T160-M235 VanDerWaalsContact CG2-CB 3.44Å; T160-M235 HydrophobicContact CG2-CG 4.35Å
161	T	65.8	Low	88	Confident	131 Å²	131	42 Å²	42	80%	0.804	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-77.8	-8.9	179.6	56.3	0	0	0	0	113.7	T159	T159-T161 VanDerWaalsContact C-N 3.3Å; T159-T161 PolarHBondContact O-N 3.41Å
162	R	68.9	Low	87.9	Confident	78 Å²	78	42.1 Å²	42.1	29%	0.294	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-101.6	1.5	-172.4	-56.2	-179.9	-177.8	164	4.2	112.6	T159 T160 A257 Y258 S260 D263	T159-R162 WeakPolarHBondContact O-CB 3.49Å; T159-R162 PolarHBondContact O-N 3.42Å; T160-R162 PolarHBondContact O-N 3.29Å; R162-A257 WeakPolarHBondContact CD-O 3.43Å; R162-Y258 PolarHBondContact NH1-O 3.31Å; R162-S260 PolarHBondContact NH2-OG 3.35Å; R162-D263 IonicContact CZ-OD1 3.7Å; R162-D263 IonicContact CZ-OD2 3.25Å; R162-D263 IonicContact NH1-OD1 3.56Å; R162-D263 IonicContact NH1-OD2 3.05Å; R162-D263 PolarHBondContact NH1-OD2 3.32Å; R162-D263 IonicContact NH2-OD1 3.8Å; R162-D263 PolarHBondContact NH2-OD1 3.23Å; R162-D263 IonicContact NH2-OD2 3.45Å
163	T	73.5	Confident	87.7	Confident	29 Å²	29	47.1 Å²	47.1	18%	0.178	23%	0.227	C	C	.	.			trans	-139	154.9	-172.8	82	0	0	0	0	115	F165 M235 Y258	T163-F165 VanDerWaalsContact CB-CD2 3.5Å; T163-F165 HydrophobicContact CG2-CD2 3.9Å; T163-F165 HydrophobicContact CG2-CE2 3.99Å; T163-F165 VanDerWaalsContact OG1-CD2 3.31Å; T163-F165 WeakPolarHBondContact OG1-CD2 3.46Å; T163-M235 HydrophobicContact CG2-CE 3.22Å; T163-M235 HydrophobicContact CG2-SD 4.3Å; T163-M235 WeakPolarHBondContact OG1-CE 3.32Å; T163-Y258 HydrophobicContact CG2-CE1 3.74Å; T163-Y258 WeakPolarHBondContact CG2-OH 3.47Å
164	N	84.9	Confident	87.4	Confident	72 Å²	72	52.4 Å²	52.4	39%	0.385	25%	0.252	S	S	.	.			trans	-101.5	15.9	176.8	-68.4	-32.7	0	0	0	112.6	R166 Y167 Y168	N164-R166 PolarHBondContact O-N 2.89Å; N164-R166 VanDerWaalsContact O-N 3.17Å; N164-Y167 HydrophobicContact CB-CD2 4.29Å; N164-Y167 PolarHBondContact O-N 3.47Å; N164-Y168 HydrophobicContact CB-CD1 4.25Å; N164-Y168 HydrophobicContact CB-CE1 3.56Å; N164-Y168 HydrophobicContact CB-CE2 4.17Å; N164-Y168 WeakPolarHBondContact O-CD1 3.43Å; N164-Y168 PolarHBondContact O-N 2.84Å; N164-Y168 VanDerWaalsContact O-N 3.11Å
165	F	89.3	Confident	87.1	Confident	16 Å²	16	53.7 Å²	53.7	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-34	-172.8	-76.9	-59.4	0	0	0	113.1	L63 F64 T163 Y167 Y168 I169 L231 M235	L63-F165 HydrophobicContact CB-CE1 4.43Å; L63-F165 HydrophobicContact CB-CZ 4.4Å; L63-F165 HydrophobicContact CD2-CB 4.36Å; L63-F165 HydrophobicContact CD2-CD1 3.76Å; L63-F165 HydrophobicContact CD2-CD2 4.15Å; L63-F165 HydrophobicContact CD2-CE1 4Å; L63-F165 HydrophobicContact CD2-CE2 4.39Å; L63-F165 HydrophobicContact CD2-CG 3.85Å; L63-F165 HydrophobicContact CD2-CZ 4.32Å; L63-F165 HydrophobicContact CG-CE1 4.45Å; F64-F165 HydrophobicContact CD2-CD1 4.06Å; F64-F165 AromaticContact CD2-CE1 3.95Å; F64-F165 HydrophobicContact CD2-CE1 3.95Å; F64-F165 AromaticContact CE2-CD1 3.62Å; F64-F165 HydrophobicContact CE2-CD1 3.62Å; F64-F165 HydrophobicContact CE2-CE1 4Å; T163-F165 VanDerWaalsContact CB-CD2 3.5Å; T163-F165 HydrophobicContact CG2-CD2 3.9Å; T163-F165 HydrophobicContact CG2-CE2 3.99Å; T163-F165 VanDerWaalsContact OG1-CD2 3.31Å; T163-F165 WeakPolarHBondContact OG1-CD2 3.46Å; F165-Y167 VanDerWaalsContact C-N 3.33Å; F165-Y167 PolarHBondContact O-N 2.86Å; F165-Y168 AromaticContact CD1-CD2 3.75Å; F165-Y168 HydrophobicContact CD1-CD2 3.75Å; F165-Y168 HydrophobicContact CD1-CE2 4.3Å; F165-Y168 HydrophobicContact CE1-CD2 4.23Å; F165-Y168 PolarHBondContact O-N 3.31Å; F165-Y168 VanDerWaalsContact O-N 3.16Å; F165-I169 VanDerWaalsContact O-CG1 3.27Å; F165-I169 WeakPolarHBondContact O-CG1 3.31Å; F165-I169 PolarHBondContact O-N 3.27Å; F165-L231 HydrophobicContact CB-CD1 3.9Å; F165-M235 HydrophobicContact CD2-CE 4.41Å; F165-M235 HydrophobicContact CD2-SD 3.72Å; F165-M235 HydrophobicContact CE2-SD 4.36Å
166	R	90.6	Very high	86.8	Confident	144 Å²	144	61.7 Å²	61.7	54%	0.543	29%	0.293	S	S	.	.	H	α-helix	trans	-56.3	-46.6	173.6	178	175.6	-87.7	124.3	0	111.8	N164 Y168 I169 Q170 L231 E232	N164-R166 PolarHBondContact O-N 2.89Å; N164-R166 VanDerWaalsContact O-N 3.17Å; R166-Y168 VanDerWaalsContact C-N 3.33Å; R166-I169 PolarHBondContact O-N 2.99Å; R166-Q170 WeakPolarHBondContact O-CB 3.37Å; R166-Q170 PolarHBondContact O-N 3.27Å; R166-L231 HydrophobicContact CB-CD2 3.77Å; R166-E232 IonicContact CZ-OE1 3.82Å; R166-E232 IonicContact NH1-OE1 2.97Å; R166-E232 PolarHBondContact NH1-OE1 2.95Å; R166-E232 IonicContact NH2-OE1 3.88Å; R166-E232 PolarHBondContact NH2-OE1 3.17Å
167	Y	90.9	Very high	86.5	Confident	125 Å²	125	62.8 Å²	62.8	49%	0.49	30%	0.298	S	S	.	.	H	α-helix	trans	-69.2	-33.4	178.3	-60.6	-63.6	0	0	0	112.1	N164 F165 A171	N164-Y167 HydrophobicContact CB-CD2 4.29Å; N164-Y167 PolarHBondContact O-N 3.47Å; F165-Y167 VanDerWaalsContact C-N 3.33Å; F165-Y167 PolarHBondContact O-N 2.86Å; Y167-A171 WeakPolarHBondContact O-CB 3.35Å; Y167-A171 PolarHBondContact O-N 3.43Å
168	Y	93.8	Very high	86.4	Confident	19 Å²	19	65 Å²	65	8%	0.075	31%	0.312	C	S	.	.	H	α-helix	trans	-66.6	-45.5	176.8	-57.6	-12.5	0	0	0	111.1	N164 F165 R166 A171 M172 V198 V203 L207	N164-Y168 HydrophobicContact CB-CD1 4.25Å; N164-Y168 HydrophobicContact CB-CE1 3.56Å; N164-Y168 HydrophobicContact CB-CE2 4.17Å; N164-Y168 WeakPolarHBondContact O-CD1 3.43Å; N164-Y168 PolarHBondContact O-N 2.84Å; N164-Y168 VanDerWaalsContact O-N 3.11Å; F165-Y168 AromaticContact CD1-CD2 3.75Å; F165-Y168 HydrophobicContact CD1-CD2 3.75Å; F165-Y168 HydrophobicContact CD1-CE2 4.3Å; F165-Y168 HydrophobicContact CE1-CD2 4.23Å; F165-Y168 PolarHBondContact O-N 3.31Å; F165-Y168 VanDerWaalsContact O-N 3.16Å; R166-Y168 VanDerWaalsContact C-N 3.33Å; Y168-A171 PolarHBondContact O-N 2.63Å; Y168-M172 WeakPolarHBondContact O-CB 3.48Å; Y168-M172 VanDerWaalsContact O-CG 3.23Å; Y168-M172 WeakPolarHBondContact O-CG 3.33Å; Y168-M172 PolarHBondContact O-N 2.84Å; Y168-V198 HydrophobicContact CD1-CB 4.38Å; Y168-V198 HydrophobicContact CD1-CG1 4.17Å; Y168-V198 HydrophobicContact CD1-CG2 3.66Å; Y168-V198 HydrophobicContact CE1-CB 4.4Å; Y168-V198 HydrophobicContact CE1-CG1 3.94Å; Y168-V198 HydrophobicContact CE1-CG2 4.16Å; Y168-V198 HydrophobicContact CG-CG2 4.43Å; Y168-V203 HydrophobicContact CD2-CG1 4.1Å; Y168-V203 HydrophobicContact CE1-CG1 4.3Å; Y168-V203 HydrophobicContact CE2-CG1 3.59Å; Y168-L207 HydrophobicContact CG-CD1 4.21Å
169	I	94.6	Very high	86.7	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-48.8	175.8	-68.2	163.8	0	0	0	110.1	F64 F165 R166 A171 M172 Q173 I227 A228 L231	F64-I169 HydrophobicContact CE1-CG1 4.42Å; F64-I169 HydrophobicContact CZ-CD1 4.4Å; F64-I169 HydrophobicContact CZ-CG1 3.66Å; F165-I169 VanDerWaalsContact O-CG1 3.27Å; F165-I169 WeakPolarHBondContact O-CG1 3.31Å; F165-I169 PolarHBondContact O-N 3.27Å; R166-I169 PolarHBondContact O-N 2.99Å; I169-A171 PolarHBondContact O-N 2.88Å; I169-M172 PolarHBondContact O-N 3.17Å; I169-Q173 HydrophobicContact CG2-CG 4.28Å; I169-Q173 WeakPolarHBondContact O-CB 3.18Å; I169-Q173 WeakPolarHBondContact O-CG 3.2Å; I169-Q173 PolarHBondContact O-N 3.38Å; I169-I227 HydrophobicContact CD1-CG2 3.76Å; I169-I227 HydrophobicContact CG1-CG2 4.27Å; I169-A228 HydrophobicContact CG2-CB 3.77Å; I169-L231 HydrophobicContact CD1-CB 4.42Å; I169-L231 HydrophobicContact CD1-CD1 3.85Å; I169-L231 HydrophobicContact CD1-CD2 3.9Å; I169-L231 HydrophobicContact CD1-CG 4.26Å
170	Q	92.8	Very high	87.3	Confident	75 Å²	75	68.5 Å²	68.5	35%	0.35	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-49.5	177.4	-177.8	-179	-3.7	0	0	111.4	R166 M172 Q173 E174 L197	R166-Q170 WeakPolarHBondContact O-CB 3.37Å; R166-Q170 PolarHBondContact O-N 3.27Å; Q170-M172 VanDerWaalsContact C-N 3.27Å; Q170-M172 PolarHBondContact O-N 3Å; Q170-Q173 PolarHBondContact O-N 2.89Å; Q170-E174 HydrophobicContact CG-CG 4.4Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.24Å; Q170-E174 PolarHBondContact NE2-OE1 3.17Å; Q170-E174 WeakPolarHBondContact O-CB 3.5Å; Q170-E174 WeakPolarHBondContact O-CG 3.27Å; Q170-E174 PolarHBondContact O-N 3.16Å; Q170-L197 HydrophobicContact CG-CD1 4.48Å
171	A	93.8	Very high	88.5	Confident	7 Å²	7	68.7 Å²	68.7	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-60.2	-37.6	179.1	0	0	0	0	0	112.6	Y167 Y168 I169 M175 L194 L197 V198	Y167-A171 WeakPolarHBondContact O-CB 3.35Å; Y167-A171 PolarHBondContact O-N 3.43Å; Y168-A171 PolarHBondContact O-N 2.63Å; I169-A171 PolarHBondContact O-N 2.88Å; A171-M175 PolarHBondContact O-N 3.04Å; A171-L194 HydrophobicContact CB-CD2 3.72Å; A171-L197 HydrophobicContact CB-CB 3.87Å; A171-L197 HydrophobicContact CB-CD1 3.73Å; A171-L197 HydrophobicContact CB-CG 4.39Å; A171-V198 HydrophobicContact CB-CG2 4.23Å
172	M	95.6	Very high	89.9	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	32%	0.324	C	S	.	.	H	α-helix	trans	-71.9	-39	177.2	-68.5	173.2	75.2	0	0	112.1	F64 Y168 I169 Q170 M175 L194 L207 W220 V222 L224	F64-M172 HydrophobicContact CE1-SD 4.38Å; F64-M172 HydrophobicContact CZ-SD 4.25Å; Y168-M172 WeakPolarHBondContact O-CB 3.48Å; Y168-M172 VanDerWaalsContact O-CG 3.23Å; Y168-M172 WeakPolarHBondContact O-CG 3.33Å; Y168-M172 PolarHBondContact O-N 2.84Å; I169-M172 PolarHBondContact O-N 3.17Å; Q170-M172 VanDerWaalsContact C-N 3.27Å; Q170-M172 PolarHBondContact O-N 3Å; M172-M175 WeakPolarHBondContact O-CB 3.49Å; M172-M175 PolarHBondContact O-N 3.35Å; M172-L194 HydrophobicContact CG-CD2 4.13Å; M172-L207 HydrophobicContact CG-CD1 4.49Å; M172-L207 HydrophobicContact SD-CB 4.31Å; M172-L207 HydrophobicContact SD-CD1 4.21Å; M172-L207 HydrophobicContact SD-CD2 3.88Å; M172-L207 HydrophobicContact SD-CG 4.34Å; M172-W220 HydrophobicContact CB-CD2 4.48Å; M172-W220 HydrophobicContact CB-CZ2 3.72Å; M172-W220 HydrophobicContact CE-CD2 3.53Å; M172-W220 HydrophobicContact CE-CE3 3.45Å; M172-W220 VanDerWaalsContact CE-CE3 3.45Å; M172-W220 HydrophobicContact CE-CG 4.07Å; M172-W220 HydrophobicContact CE-CH2 4.09Å; M172-W220 HydrophobicContact CE-CZ2 4.13Å; M172-W220 HydrophobicContact CE-CZ3 3.76Å; M172-W220 HydrophobicContact CG-CH2 4.09Å; M172-W220 HydrophobicContact CG-CZ2 3.73Å; M172-W220 PolarHBondContact O-NE1 3.14Å; M172-V222 HydrophobicContact CE-CG2 4.16Å; M172-L224 HydrophobicContact CB-CD1 3.64Å; M172-L224 HydrophobicContact CB-CD2 4.37Å; M172-L224 HydrophobicContact CE-CD1 4.33Å; M172-L224 HydrophobicContact CE-CD2 3.89Å; M172-L224 HydrophobicContact SD-CD2 4.12Å
173	Q	94.2	Very high	91.1	Very high	107 Å²	107	68.6 Å²	68.6	50%	0.5	33%	0.332	S	S	.	.	H	α-helix	trans	-68.7	-36.2	178.2	-74.7	176.4	-38.3	0	0	112.9	I169 Q170 M175 L224	I169-Q173 HydrophobicContact CG2-CG 4.28Å; I169-Q173 WeakPolarHBondContact O-CB 3.18Å; I169-Q173 WeakPolarHBondContact O-CG 3.2Å; I169-Q173 PolarHBondContact O-N 3.38Å; Q170-Q173 PolarHBondContact O-N 2.89Å; Q173-M175 VanDerWaalsContact C-N 3.26Å; Q173-M175 PolarHBondContact O-N 2.96Å; Q173-L224 HydrophobicContact CG-CB 4.46Å; Q173-L224 HydrophobicContact CG-CD1 4.2Å
174	E	92.4	Very high	92	Very high	112 Å²	112	71.2 Å²	71.2	52%	0.523	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10	-179.7	-69.9	175.6	-174	0	0	113.4	Q170 K176	Q170-E174 HydrophobicContact CG-CG 4.4Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.24Å; Q170-E174 PolarHBondContact NE2-OE1 3.17Å; Q170-E174 WeakPolarHBondContact O-CB 3.5Å; Q170-E174 WeakPolarHBondContact O-CG 3.27Å; Q170-E174 PolarHBondContact O-N 3.16Å; E174-K176 PolarHBondContact O-N 3.06Å
175	M	90.4	Very high	92.5	Very high	28 Å²	28	69.6 Å²	69.6	14%	0.138	34%	0.344	C	S	.	.			trans	-62.8	133.5	-175.1	-173.9	-171.3	66.9	0	0	112.2	A171 M172 Q173 I177 A190 L211 W220	A171-M175 PolarHBondContact O-N 3.04Å; M172-M175 WeakPolarHBondContact O-CB 3.49Å; M172-M175 PolarHBondContact O-N 3.35Å; Q173-M175 VanDerWaalsContact C-N 3.26Å; Q173-M175 PolarHBondContact O-N 2.96Å; M175-I177 HydrophobicContact CE-CD1 3.35Å; M175-I177 HydrophobicContact CE-CG1 3.76Å; M175-I177 HydrophobicContact CG-CD1 4.37Å; M175-I177 HydrophobicContact CG-CG1 3.96Å; M175-I177 HydrophobicContact SD-CD1 3.54Å; M175-I177 VanDerWaalsContact SD-CD1 3.54Å; M175-I177 HydrophobicContact SD-CG1 3.8Å; M175-A190 HydrophobicContact SD-CB 3.51Å; M175-A190 VanDerWaalsContact SD-CB 3.51Å; M175-L211 HydrophobicContact CE-CD1 3.83Å; M175-W220 HydrophobicContact CB-CZ2 4.27Å; M175-W220 HydrophobicContact CE-CD2 4.26Å; M175-W220 HydrophobicContact CE-CH2 3.92Å; M175-W220 HydrophobicContact CE-CZ2 3.21Å; M175-W220 HydrophobicContact CG-CZ2 4.39Å; M175-W220 HydrophobicContact SD-CH2 3.64Å; M175-W220 HydrophobicContact SD-CZ2 3.21Å; M175-W220 WeakPolarHBondContact SD-CZ2 3.39Å
176	K	90	Very high	92.8	Very high	169 Å²	169	68.8 Å²	68.8	74%	0.735	34%	0.341	S	S	*	.			trans	-120.3	112.6	176.4	-63	176.9	-175.2	177.7	0	110	E174 Q193	E174-K176 PolarHBondContact O-N 3.06Å; K176-Q193 PolarHBondContact O-NE2 3.12Å; K176-Q193 PolarHBondContact O-OE1 3.48Å
177	I	88.8	Confident	93	Very high	31 Å²	31	65 Å²	65	16%	0.159	33%	0.326	C	S	.	.			trans	-115.9	132.1	176	-56.8	179.9	0	0	0	108.9	M175 I181 A186 A190 L211 Y218	M175-I177 HydrophobicContact CE-CD1 3.35Å; M175-I177 HydrophobicContact CE-CG1 3.76Å; M175-I177 HydrophobicContact CG-CD1 4.37Å; M175-I177 HydrophobicContact CG-CG1 3.96Å; M175-I177 HydrophobicContact SD-CD1 3.54Å; M175-I177 VanDerWaalsContact SD-CD1 3.54Å; M175-I177 HydrophobicContact SD-CG1 3.8Å; I177-I181 HydrophobicContact CG2-CD1 4.07Å; I177-A186 HydrophobicContact CG2-CB 3.71Å; I177-A190 HydrophobicContact CD1-CB 3.91Å; I177-A190 HydrophobicContact CG1-CB 4.5Å; I177-L211 HydrophobicContact CD1-CD1 3.59Å; I177-L211 HydrophobicContact CD1-CD2 3.8Å; I177-L211 HydrophobicContact CD1-CG 4.32Å; I177-Y218 HydrophobicContact CD1-CG 4.38Å; I177-Y218 HydrophobicContact CG2-CD2 3.59Å; I177-Y218 HydrophobicContact CG2-CE2 4.27Å; I177-Y218 HydrophobicContact CG2-CG 3.92Å
178	S	90.1	Very high	93.2	Very high	67 Å²	67	65.8 Å²	65.8	47%	0.469	33%	0.328	S	S	.	.			trans	-64.7	146.3	172.5	-52.9	0	0	0	0	111.3	I181	S178-I181 WeakPolarHBondContact O-CG1 3.45Å
179	T	91.6	Very high	93.3	Very high	64 Å²	64	67.6 Å²	67.6	39%	0.393	34%	0.338	S	S	.	.	S	Bend	trans	-79.2	163	174	63.3	0	0	0	0	110.9	I181 G216 H217	T179-I181 PolarHBondContact O-N 3.18Å; T179-I181 VanDerWaalsContact O-N 3.09Å; T179-G216 CarbonylContact C-O 3.27Å; T179-G216 VanDerWaalsContact CA-O 3.31Å; T179-G216 WeakPolarHBondContact CA-O 3.43Å; T179-H217 VanDerWaalsContact CG2-ND1 3.32Å; T179-H217 WeakPolarHBondContact CG2-ND1 3.29Å
180	D	92.8	Very high	93.3	Very high	123 Å²	123	67.3 Å²	67.3	66%	0.658	34%	0.337	S	S	*	.	S	Bend	trans	61.8	22.9	169.4	-49	-66.3	0	0	0	114.9	G216	D180-G216 PolarHBondContact N-O 3.34Å
181	I	94.9	Very high	93.5	Very high	38 Å²	38	65.4 Å²	65.4	20%	0.195	33%	0.328	C	S	.	.	S	Bend	trans	-101.4	155.2	172.5	63.2	174.7	0	0	0	110.8	I177 S178 T179 T185 A186 M189 Y218	I177-I181 HydrophobicContact CG2-CD1 4.07Å; S178-I181 WeakPolarHBondContact O-CG1 3.45Å; T179-I181 PolarHBondContact O-N 3.18Å; T179-I181 VanDerWaalsContact O-N 3.09Å; I181-T185 HydrophobicContact CD1-CG2 4.12Å; I181-A186 HydrophobicContact CD1-CB 3.84Å; I181-A186 HydrophobicContact CG1-CB 4.07Å; I181-M189 HydrophobicContact CD1-SD 3.69Å; I181-Y218 HydrophobicContact CG1-CE2 3.9Å; I181-Y218 PolarHBondContact O-OH 3.5Å
182	P	94.8	Very high	93.5	Very high	85 Å²	85	68.8 Å²	68.8	55%	0.552	35%	0.345	S	S	*	.			trans	-58	141	174.1	-24.7	34.1	0	0	0	112.6	S184 T185 A186	P182-S184 PolarHBondContact O-N 3.41Å; P182-S184 VanDerWaalsContact O-N 3.11Å; P182-T185 WeakPolarHBondContact O-CA 3.37Å; P182-T185 WeakPolarHBondContact O-CB 3.48Å; P182-T185 PolarHBondContact O-N 2.82Å; P182-A186 PolarHBondContact O-N 3.41Å
183	R	92.8	Very high	93.5	Very high	122 Å²	122	72 Å²	72	46%	0.46	36%	0.36	S	S	.	.	H	α-helix	trans	-51.9	-36.7	179.9	-172.4	173.8	-179.4	-161.4	1	114.7	T185 A186 R187 Y218	R183-T185 VanDerWaalsContact C-N 3.34Å; R183-A186 PolarHBondContact O-N 2.98Å; R183-R187 WeakPolarHBondContact O-CB 3.33Å; R183-R187 WeakPolarHBondContact O-CG 3.23Å; R183-R187 PolarHBondContact O-N 3.03Å; R183-Y218 WeakPolarHBondContact CA-OH 3.49Å; R183-Y218 HydrophobicContact CB-CE1 4.47Å; R183-Y218 HydrophobicContact CG-CE1 4.31Å; R183-Y218 PolarHBondContact N-OH 3.23Å; R183-Y218 VanDerWaalsContact N-OH 3.09Å
184	S	94.2	Very high	93.5	Very high	84 Å²	84	66.9 Å²	66.9	59%	0.587	34%	0.336	S	S	*	.	H	α-helix	trans	-63.7	-39.9	176.2	53.1	0	0	0	0	112.2	P182 R188	P182-S184 PolarHBondContact O-N 3.41Å; P182-S184 VanDerWaalsContact O-N 3.11Å; S184-R188 PolarHBondContact O-N 2.86Å; S184-R188 VanDerWaalsContact O-N 3.11Å
185	T	95.3	Very high	93.5	Very high	38 Å²	38	67.2 Å²	67.2	23%	0.233	33%	0.332	C	S	.	.	H	α-helix	trans	-68.1	-46.8	175.8	-57.7	0	0	0	0	110.9	I181 P182 R183 R187 R188 M189	I181-T185 HydrophobicContact CD1-CG2 4.12Å; P182-T185 WeakPolarHBondContact O-CA 3.37Å; P182-T185 WeakPolarHBondContact O-CB 3.48Å; P182-T185 PolarHBondContact O-N 2.82Å; R183-T185 VanDerWaalsContact C-N 3.34Å; T185-R187 PolarHBondContact O-N 3.36Å; T185-R188 PolarHBondContact O-N 3.05Å; T185-M189 HydrophobicContact CG2-SD 4.06Å; T185-M189 WeakPolarHBondContact O-CG 3.49Å; T185-M189 PolarHBondContact O-N 3.42Å
186	A	95	Very high	93.3	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-57.7	-46.8	176.1	0	0	0	0	0	112.1	I177 I181 P182 R183 R188 M189 A190 Y218	I177-A186 HydrophobicContact CG2-CB 3.71Å; I181-A186 HydrophobicContact CD1-CB 3.84Å; I181-A186 HydrophobicContact CG1-CB 4.07Å; P182-A186 PolarHBondContact O-N 3.41Å; R183-A186 PolarHBondContact O-N 2.98Å; A186-R188 PolarHBondContact O-N 3.48Å; A186-M189 PolarHBondContact O-N 2.91Å; A186-A190 WeakPolarHBondContact O-CB 3.46Å; A186-A190 PolarHBondContact O-N 3.28Å; A186-Y218 HydrophobicContact CB-CD1 3.82Å; A186-Y218 HydrophobicContact CB-CD2 3.92Å; A186-Y218 HydrophobicContact CB-CE1 3.4Å; A186-Y218 HydrophobicContact CB-CE2 3.54Å; A186-Y218 HydrophobicContact CB-CG 4.05Å
187	R	94.9	Very high	93.3	Very high	64 Å²	64	64.1 Å²	64.1	24%	0.242	33%	0.33	C	S	.	.	H	α-helix	trans	-58.5	-44	175.5	-81	-172.7	72.7	80.6	1.4	112.7	R183 T185 A190 E191 L208 L211	R183-R187 WeakPolarHBondContact O-CB 3.33Å; R183-R187 WeakPolarHBondContact O-CG 3.23Å; R183-R187 PolarHBondContact O-N 3.03Å; T185-R187 PolarHBondContact O-N 3.36Å; R187-A190 PolarHBondContact O-N 3.48Å; R187-E191 WeakPolarHBondContact O-CB 3.33Å; R187-E191 PolarHBondContact O-N 3.38Å; R187-L208 PolarHBondContact NH1-O 3.05Å; R187-L211 HydrophobicContact CG-CD2 4.07Å
188	R	95.3	Very high	93.4	Very high	141 Å²	141	62.6 Å²	62.6	53%	0.532	32%	0.322	S	S	.	.	H	α-helix	trans	-63.6	-46.3	178.3	-176.7	176.1	63.2	-127	-3.4	111.4	S184 T185 A186 A190 E191 D192	S184-R188 PolarHBondContact O-N 2.86Å; S184-R188 VanDerWaalsContact O-N 3.11Å; T185-R188 PolarHBondContact O-N 3.05Å; A186-R188 PolarHBondContact O-N 3.48Å; R188-A190 VanDerWaalsContact C-N 3.33Å; R188-A190 PolarHBondContact O-N 3.49Å; R188-E191 PolarHBondContact O-N 2.93Å; R188-D192 PolarHBondContact O-N 2.9Å
189	M	95.4	Very high	93.4	Very high	57 Å²	57	66 Å²	66	28%	0.281	33%	0.329	S	S	.	.	H	α-helix	trans	-60.9	-42.3	176.9	-70.7	173.1	65.1	0	0	112.1	I181 T185 A186 D192 Q193	I181-M189 HydrophobicContact CD1-SD 3.69Å; T185-M189 HydrophobicContact CG2-SD 4.06Å; T185-M189 WeakPolarHBondContact O-CG 3.49Å; T185-M189 PolarHBondContact O-N 3.42Å; A186-M189 PolarHBondContact O-N 2.91Å; M189-D192 PolarHBondContact O-N 2.95Å; M189-Q193 WeakPolarHBondContact O-CG 3.4Å; M189-Q193 PolarHBondContact O-N 3.16Å; M189-Q193 VanDerWaalsContact O-N 3.1Å; M189-Q193 PolarHBondContact O-NE2 2.89Å
190	A	95.1	Very high	93.3	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-62.2	-45.4	175.4	0	0	0	0	0	111.2	M175 I177 A186 R187 R188 D192 Q193 L194 L208 L211	M175-A190 HydrophobicContact SD-CB 3.51Å; M175-A190 VanDerWaalsContact SD-CB 3.51Å; I177-A190 HydrophobicContact CD1-CB 3.91Å; I177-A190 HydrophobicContact CG1-CB 4.5Å; A186-A190 WeakPolarHBondContact O-CB 3.46Å; A186-A190 PolarHBondContact O-N 3.28Å; R187-A190 PolarHBondContact O-N 3.48Å; R188-A190 VanDerWaalsContact C-N 3.33Å; R188-A190 PolarHBondContact O-N 3.49Å; A190-D192 PolarHBondContact O-N 3.02Å; A190-Q193 PolarHBondContact O-N 3.49Å; A190-L194 VanDerWaalsContact O-CG 3.29Å; A190-L194 WeakPolarHBondContact O-CG 3.46Å; A190-L194 PolarHBondContact O-N 3.05Å; A190-L208 HydrophobicContact CB-CD2 3.45Å; A190-L208 VanDerWaalsContact CB-CD2 3.45Å; A190-L211 HydrophobicContact CB-CD2 3.95Å
191	E	95.8	Very high	93.2	Very high	36 Å²	36	66.2 Å²	66.2	17%	0.168	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-45	176.4	-170.7	178.3	171.9	0	0	112.5	R187 R188 Q193 L194 R195 H201 R204 Q205 L208	R187-E191 WeakPolarHBondContact O-CB 3.33Å; R187-E191 PolarHBondContact O-N 3.38Å; R188-E191 PolarHBondContact O-N 2.93Å; E191-Q193 VanDerWaalsContact C-N 3.3Å; E191-Q193 PolarHBondContact O-N 3.07Å; E191-L194 PolarHBondContact O-N 3.28Å; E191-R195 PolarHBondContact O-N 3.06Å; E191-H201 IonicContact OE1-CD2 3.74Å; E191-H201 PolarHBondContact OE1-CD2 3Å; E191-H201 IonicContact OE1-NE2 3.44Å; E191-R204 IonicContact OE1-NE 2.65Å; E191-R204 IonicContact OE1-NH2 3.71Å; E191-Q205 PolarHBondContact OE1-NE2 3.35Å; E191-Q205 VanDerWaalsContact OE1-NE2 3.16Å; E191-Q205 PolarHBondContact OE2-NE2 3.16Å; E191-L208 HydrophobicContact CB-CD1 3.71Å; E191-L208 HydrophobicContact CG-CD1 4.11Å
192	D	94.5	Very high	92.9	Very high	78 Å²	78	68.3 Å²	68.3	42%	0.417	34%	0.339	S	S	.	.	H	α-helix	trans	-60.6	-40.3	179.1	-73.9	-31	0	0	0	111.4	R188 M189 A190 R195	R188-D192 PolarHBondContact O-N 2.9Å; M189-D192 PolarHBondContact O-N 2.95Å; A190-D192 PolarHBondContact O-N 3.02Å; D192-R195 WeakPolarHBondContact O-CB 3.36Å; D192-R195 IonicContact OD1-CZ 2.69Å; D192-R195 VanDerWaalsContact OD1-CZ 3.29Å; D192-R195 IonicContact OD1-NH1 3.94Å; D192-R195 PolarHBondContact OD1-NH1 2.81Å; D192-R195 IonicContact OD1-NH2 2.73Å; D192-R195 PolarHBondContact OD1-NH2 3.32Å
193	Q	94.8	Very high	92.7	Very high	67 Å²	67	64.5 Å²	64.5	31%	0.313	31%	0.314	S	S	.	.	H	α-helix	trans	-67.9	-44.6	175.9	-72.6	175.3	61.6	0	0	112.3	K176 M189 A190 E191 R195 S196	K176-Q193 PolarHBondContact O-NE2 3.12Å; K176-Q193 PolarHBondContact O-OE1 3.48Å; M189-Q193 WeakPolarHBondContact O-CG 3.4Å; M189-Q193 PolarHBondContact O-N 3.16Å; M189-Q193 VanDerWaalsContact O-N 3.1Å; M189-Q193 PolarHBondContact O-NE2 2.89Å; A190-Q193 PolarHBondContact O-N 3.49Å; E191-Q193 VanDerWaalsContact C-N 3.3Å; E191-Q193 PolarHBondContact O-N 3.07Å; Q193-R195 PolarHBondContact O-N 2.82Å; Q193-S196 PolarHBondContact O-N 3.15Å; Q193-S196 PolarHBondContact O-OG 3.47Å
194	L	94.6	Very high	92.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-29.1	178.8	-71.3	175.2	0	0	0	112.7	A171 M172 A190 E191 S196 L197 V198 R204 L208 W220	A171-L194 HydrophobicContact CB-CD2 3.72Å; M172-L194 HydrophobicContact CG-CD2 4.13Å; A190-L194 VanDerWaalsContact O-CG 3.29Å; A190-L194 WeakPolarHBondContact O-CG 3.46Å; A190-L194 PolarHBondContact O-N 3.05Å; E191-L194 PolarHBondContact O-N 3.28Å; L194-S196 PolarHBondContact O-N 2.94Å; L194-L197 PolarHBondContact O-N 3.43Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L194-V198 HydrophobicContact CB-CG2 4.42Å; L194-V198 HydrophobicContact CD2-CG2 4.37Å; L194-V198 WeakPolarHBondContact O-CB 3.45Å; L194-V198 PolarHBondContact O-N 2.89Å; L194-R204 HydrophobicContact CB-CG 4.16Å; L194-L208 HydrophobicContact CD1-CD2 3.88Å; L194-L208 HydrophobicContact CD1-CG 3.93Å; L194-W220 HydrophobicContact CD1-CH2 4.46Å
195	R	92.8	Very high	92.8	Very high	119 Å²	119	58.1 Å²	58.1	45%	0.449	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.6	-177.1	-167.1	-178.4	-62.7	150.1	9.3	114.1	E191 D192 Q193 K199	E191-R195 PolarHBondContact O-N 3.06Å; D192-R195 WeakPolarHBondContact O-CB 3.36Å; D192-R195 IonicContact OD1-CZ 2.69Å; D192-R195 VanDerWaalsContact OD1-CZ 3.29Å; D192-R195 IonicContact OD1-NH1 3.94Å; D192-R195 PolarHBondContact OD1-NH1 2.81Å; D192-R195 IonicContact OD1-NH2 2.73Å; D192-R195 PolarHBondContact OD1-NH2 3.32Å; Q193-R195 PolarHBondContact O-N 2.82Å; R195-K199 PolarHBondContact O-NZ 2.93Å
196	S	86.9	Confident	92.7	Very high	72 Å²	72	58.1 Å²	58.1	50%	0.503	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-41.3	178.1	61.7	0	0	0	0	112.5	Q193 L194 K199	Q193-S196 PolarHBondContact O-N 3.15Å; Q193-S196 PolarHBondContact O-OG 3.47Å; L194-S196 PolarHBondContact O-N 2.94Å; S196-K199 VanDerWaalsContact O-CE 3.25Å; S196-K199 WeakPolarHBondContact O-CE 3.48Å; S196-K199 PolarHBondContact O-NZ 3.38Å
197	L	89	Confident	92.7	Very high	60 Å²	60	58.1 Å²	58.1	31%	0.314	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-24.6	-174	-67.2	174.8	0	0	0	113.5	Q170 A171 L194	Q170-L197 HydrophobicContact CG-CD1 4.48Å; A171-L197 HydrophobicContact CB-CB 3.87Å; A171-L197 HydrophobicContact CB-CD1 3.73Å; A171-L197 HydrophobicContact CB-CG 4.39Å; L194-L197 PolarHBondContact O-N 3.43Å; L194-L197 VanDerWaalsContact O-N 3.12Å
198	V	91.3	Very high	92.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.265	C	S	.	.			trans	-111.4	95.1	179.8	-168.2	0	0	0	0	108.8	Y168 A171 L194 V203 R204 L207	Y168-V198 HydrophobicContact CD1-CB 4.38Å; Y168-V198 HydrophobicContact CD1-CG1 4.17Å; Y168-V198 HydrophobicContact CD1-CG2 3.66Å; Y168-V198 HydrophobicContact CE1-CB 4.4Å; Y168-V198 HydrophobicContact CE1-CG1 3.94Å; Y168-V198 HydrophobicContact CE1-CG2 4.16Å; Y168-V198 HydrophobicContact CG-CG2 4.43Å; A171-V198 HydrophobicContact CB-CG2 4.23Å; L194-V198 HydrophobicContact CB-CG2 4.42Å; L194-V198 HydrophobicContact CD2-CG2 4.37Å; L194-V198 WeakPolarHBondContact O-CB 3.45Å; L194-V198 PolarHBondContact O-N 2.89Å; V198-V203 HydrophobicContact CG1-CB 3.86Å; V198-V203 HydrophobicContact CG1-CG1 3.59Å; V198-R204 HydrophobicContact CB-CG 3.71Å; V198-R204 HydrophobicContact CG1-CG 3.59Å; V198-R204 WeakPolarHBondContact O-CD 3.45Å; V198-R204 WeakPolarHBondContact O-CG 3.1Å; V198-R204 PolarHBondContact O-NH1 3.31Å; V198-L207 HydrophobicContact CG1-CD1 4.27Å; V198-L207 HydrophobicContact CG2-CD1 4.05Å
199	K	89.2	Confident	92.8	Very high	139 Å²	139	51 Å²	51	60%	0.604	26%	0.256	S	S	*	.			trans	-77.3	-32.8	-170.2	-61.1	-57.1	177.4	-168.9	0	112.6	R195 S196 H201 R204	R195-K199 PolarHBondContact O-NZ 2.93Å; S196-K199 VanDerWaalsContact O-CE 3.25Å; S196-K199 WeakPolarHBondContact O-CE 3.48Å; S196-K199 PolarHBondContact O-NZ 3.38Å; K199-H201 PolarHBondContact O-N 3.24Å; K199-R204 PolarHBondContact O-NH1 3.19Å
200	E	89.6	Confident	92.9	Very high	81 Å²	81	48.3 Å²	48.3	38%	0.379	24%	0.242	S	C	.	.			trans	-75.5	118	-176.8	-57.7	79.8	179.9	0	0	109.6	S202 V203 R204	E200-S202 VanDerWaalsContact C-N 3.33Å; E200-S202 PolarHBondContact O-N 3.41Å; E200-V203 HydrophobicContact CB-CB 3.99Å; E200-V203 HydrophobicContact CB-CG2 3.66Å; E200-V203 HydrophobicContact CG-CG2 4.35Å; E200-V203 PolarHBondContact O-N 3.35Å; E200-R204 PolarHBondContact O-N 2.96Å
201	H	91.2	Very high	93	Very high	110 Å²	110	48.4 Å²	48.4	51%	0.509	24%	0.243	S	C	.	.	H	α-helix	trans	-60.5	-42.7	-179.4	173.3	-98	0	0	0	112.2	E191 K199 V203 R204 Q205	E191-H201 IonicContact OE1-CD2 3.74Å; E191-H201 PolarHBondContact OE1-CD2 3Å; E191-H201 IonicContact OE1-NE2 3.44Å; K199-H201 PolarHBondContact O-N 3.24Å; H201-V203 VanDerWaalsContact C-N 3.33Å; H201-V203 PolarHBondContact O-N 3.09Å; H201-R204 PolarHBondContact O-N 2.8Å; H201-Q205 VanDerWaalsContact CE1-CG 3.49Å; H201-Q205 WeakPolarHBondContact CE1-CG 3.45Å; H201-Q205 PolarHBondContact NE2-NE2 3.23Å; H201-Q205 WeakPolarHBondContact O-CG 3.46Å; H201-Q205 PolarHBondContact O-N 2.78Å
202	S	89.1	Confident	92.9	Very high	81 Å²	81	47.6 Å²	47.6	57%	0.566	24%	0.24	S	C	*	.	H	α-helix	trans	-58.4	-43.9	177.5	49.7	0	0	0	0	112.1	E200 Q205 F206	E200-S202 VanDerWaalsContact C-N 3.33Å; E200-S202 PolarHBondContact O-N 3.41Å; S202-Q205 PolarHBondContact O-N 2.88Å; S202-F206 WeakPolarHBondContact O-CB 3.44Å; S202-F206 PolarHBondContact O-N 2.76Å
203	V	90.5	Very high	92.9	Very high	6 Å²	6	48.1 Å²	48.1	4%	0.036	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-44.5	177.5	-178.7	0	0	0	0	110.7	Y168 V198 E200 H201 Q205 F206 L207 W285	Y168-V203 HydrophobicContact CD2-CG1 4.1Å; Y168-V203 HydrophobicContact CE1-CG1 4.3Å; Y168-V203 HydrophobicContact CE2-CG1 3.59Å; V198-V203 HydrophobicContact CG1-CB 3.86Å; V198-V203 HydrophobicContact CG1-CG1 3.59Å; E200-V203 HydrophobicContact CB-CB 3.99Å; E200-V203 HydrophobicContact CB-CG2 3.66Å; E200-V203 HydrophobicContact CG-CG2 4.35Å; E200-V203 PolarHBondContact O-N 3.35Å; H201-V203 VanDerWaalsContact C-N 3.33Å; H201-V203 PolarHBondContact O-N 3.09Å; V203-Q205 VanDerWaalsContact C-N 3.35Å; V203-Q205 PolarHBondContact O-N 3.21Å; V203-F206 WeakPolarHBondContact O-CB 3.42Å; V203-F206 PolarHBondContact O-N 3.47Å; V203-L207 HydrophobicContact CG1-CD1 4.29Å; V203-L207 HydrophobicContact CG1-CG 4.32Å; V203-L207 WeakPolarHBondContact O-CG 3.33Å; V203-L207 PolarHBondContact O-N 3.3Å; V203-W285 HydrophobicContact CG2-CH2 3.85Å; V203-W285 HydrophobicContact CG2-CZ2 4.42Å
204	R	94.6	Very high	92.8	Very high	18 Å²	18	50.9 Å²	50.9	7%	0.068	25%	0.253	C	S	.	.	H	α-helix	trans	-56.7	-48.5	174.6	-71.9	-164.8	-57.5	-81	0.1	112	E191 L194 V198 K199 E200 H201 F206 L207 L208	E191-R204 IonicContact OE1-NE 2.65Å; E191-R204 IonicContact OE1-NH2 3.71Å; L194-R204 HydrophobicContact CB-CG 4.16Å; V198-R204 HydrophobicContact CB-CG 3.71Å; V198-R204 HydrophobicContact CG1-CG 3.59Å; V198-R204 WeakPolarHBondContact O-CD 3.45Å; V198-R204 WeakPolarHBondContact O-CG 3.1Å; V198-R204 PolarHBondContact O-NH1 3.31Å; K199-R204 PolarHBondContact O-NH1 3.19Å; E200-R204 PolarHBondContact O-N 2.96Å; H201-R204 PolarHBondContact O-N 2.8Å; R204-F206 VanDerWaalsContact C-N 3.27Å; R204-F206 PolarHBondContact O-N 3.12Å; R204-L207 PolarHBondContact O-N 2.92Å; R204-L208 WeakPolarHBondContact O-CB 3.27Å; R204-L208 VanDerWaalsContact O-CG 3.23Å; R204-L208 WeakPolarHBondContact O-CG 3.49Å; R204-L208 PolarHBondContact O-N 3.06Å
205	Q	94.5	Very high	92.6	Very high	53 Å²	53	58.4 Å²	58.4	25%	0.248	29%	0.294	C	S	.	.	H	α-helix	trans	-62	-38.8	179.5	-66	-51	-37.5	0	0	111.7	E191 H201 S202 V203 L208 T209	E191-Q205 PolarHBondContact OE1-NE2 3.35Å; E191-Q205 VanDerWaalsContact OE1-NE2 3.16Å; E191-Q205 PolarHBondContact OE2-NE2 3.16Å; H201-Q205 VanDerWaalsContact CE1-CG 3.49Å; H201-Q205 WeakPolarHBondContact CE1-CG 3.45Å; H201-Q205 PolarHBondContact NE2-NE2 3.23Å; H201-Q205 WeakPolarHBondContact O-CG 3.46Å; H201-Q205 PolarHBondContact O-N 2.78Å; S202-Q205 PolarHBondContact O-N 2.88Å; V203-Q205 VanDerWaalsContact C-N 3.35Å; V203-Q205 PolarHBondContact O-N 3.21Å; Q205-L208 PolarHBondContact O-N 2.89Å; Q205-T209 WeakPolarHBondContact O-CG2 3.35Å; Q205-T209 PolarHBondContact O-N 3.45Å
206	F	93.1	Very high	92.5	Very high	38 Å²	38	53.2 Å²	53.2	17%	0.167	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-51.4	174.2	177.6	-113.5	0	0	0	112.2	F64 S202 V203 R204 L208 T209	F64-F206 HydrophobicContact CB-CE1 3.86Å; F64-F206 HydrophobicContact CB-CZ 4.31Å; S202-F206 WeakPolarHBondContact O-CB 3.44Å; S202-F206 PolarHBondContact O-N 2.76Å; V203-F206 WeakPolarHBondContact O-CB 3.42Å; V203-F206 PolarHBondContact O-N 3.47Å; R204-F206 VanDerWaalsContact C-N 3.27Å; R204-F206 PolarHBondContact O-N 3.12Å; F206-L208 VanDerWaalsContact C-N 3.29Å; F206-L208 PolarHBondContact O-N 3.03Å; F206-T209 VanDerWaalsContact O-CB 3.3Å; F206-T209 WeakPolarHBondContact O-CB 3.41Å; F206-T209 WeakPolarHBondContact O-CG2 3.32Å; F206-T209 PolarHBondContact O-N 3.45Å; F206-T209 PolarHBondContact O-OG1 2.77Å
207	L	95.4	Very high	92.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-58.3	-42.2	177.4	-63.7	178.2	0	0	0	111.6	F64 Y168 M172 V198 V203 R204 T209 N210	F64-L207 HydrophobicContact CB-CD2 4.2Å; F64-L207 HydrophobicContact CD2-CD2 3.29Å; F64-L207 HydrophobicContact CE2-CD2 3.69Å; F64-L207 HydrophobicContact CG-CD2 3.89Å; Y168-L207 HydrophobicContact CG-CD1 4.21Å; M172-L207 HydrophobicContact CG-CD1 4.49Å; M172-L207 HydrophobicContact SD-CB 4.31Å; M172-L207 HydrophobicContact SD-CD1 4.21Å; M172-L207 HydrophobicContact SD-CD2 3.88Å; M172-L207 HydrophobicContact SD-CG 4.34Å; V198-L207 HydrophobicContact CG1-CD1 4.27Å; V198-L207 HydrophobicContact CG2-CD1 4.05Å; V203-L207 HydrophobicContact CG1-CD1 4.29Å; V203-L207 HydrophobicContact CG1-CG 4.32Å; V203-L207 WeakPolarHBondContact O-CG 3.33Å; V203-L207 PolarHBondContact O-N 3.3Å; R204-L207 PolarHBondContact O-N 2.92Å; L207-T209 PolarHBondContact O-N 3.15Å; L207-T209 VanDerWaalsContact O-N 3.14Å; L207-N210 WeakPolarHBondContact O-CB 3.48Å; L207-N210 PolarHBondContact O-N 3.38Å
208	L	96.3	Very high	93.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-15.2	178.4	-70.2	168.6	0	0	0	113.3	R187 A190 E191 L194 R204 Q205 F206 N210 L211 W220	R187-L208 PolarHBondContact NH1-O 3.05Å; A190-L208 HydrophobicContact CB-CD2 3.45Å; A190-L208 VanDerWaalsContact CB-CD2 3.45Å; E191-L208 HydrophobicContact CB-CD1 3.71Å; E191-L208 HydrophobicContact CG-CD1 4.11Å; L194-L208 HydrophobicContact CD1-CD2 3.88Å; L194-L208 HydrophobicContact CD1-CG 3.93Å; R204-L208 WeakPolarHBondContact O-CB 3.27Å; R204-L208 VanDerWaalsContact O-CG 3.23Å; R204-L208 WeakPolarHBondContact O-CG 3.49Å; R204-L208 PolarHBondContact O-N 3.06Å; Q205-L208 PolarHBondContact O-N 2.89Å; F206-L208 VanDerWaalsContact C-N 3.29Å; F206-L208 PolarHBondContact O-N 3.03Å; L208-N210 PolarHBondContact O-N 3.41Å; L208-L211 HydrophobicContact CD2-CD2 4.35Å; L208-L211 WeakPolarHBondContact O-CB 3.44Å; L208-L211 PolarHBondContact O-N 2.83Å; L208-W220 HydrophobicContact CD2-CH2 4.35Å
209	T	95.4	Very high	93.2	Very high	56 Å²	56	56 Å²	56	34%	0.344	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.7	170.4	68	0	0	0	0	112.2	Q205 F206 L207 R221	Q205-T209 WeakPolarHBondContact O-CG2 3.35Å; Q205-T209 PolarHBondContact O-N 3.45Å; F206-T209 VanDerWaalsContact O-CB 3.3Å; F206-T209 WeakPolarHBondContact O-CB 3.41Å; F206-T209 WeakPolarHBondContact O-CG2 3.32Å; F206-T209 PolarHBondContact O-N 3.45Å; F206-T209 PolarHBondContact O-OG1 2.77Å; L207-T209 PolarHBondContact O-N 3.15Å; L207-T209 VanDerWaalsContact O-N 3.14Å; T209-R221 PolarHBondContact O-NH1 2.81Å
210	N	97.2	Very high	93.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-6.4	175.8	-66.3	-68.3	0	0	0	113.9	F64 L207 L208 V212 W220 R221 V222	F64-N210 PolarHBondContact O-ND2 3.5Å; L207-N210 WeakPolarHBondContact O-CB 3.48Å; L207-N210 PolarHBondContact O-N 3.38Å; L208-N210 PolarHBondContact O-N 3.41Å; N210-V212 PolarHBondContact O-N 3Å; N210-W220 HydrophobicContact CB-CE3 4.18Å; N210-R221 HydrophobicContact CB-CB 4.25Å; N210-R221 WeakPolarHBondContact O-CB 3.35Å; N210-R221 PolarHBondContact O-N 3.29Å; N210-V222 HydrophobicContact CB-CG2 4.44Å; N210-V222 WeakPolarHBondContact OD1-CG1 3.37Å
211	L	96.6	Very high	94	Very high	2 Å²	2	50 Å²	50	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	112.4	175.2	-171.3	66.5	0	0	0	109.9	M175 I177 R187 A190 L208 Y218 W220	M175-L211 HydrophobicContact CE-CD1 3.83Å; I177-L211 HydrophobicContact CD1-CD1 3.59Å; I177-L211 HydrophobicContact CD1-CD2 3.8Å; I177-L211 HydrophobicContact CD1-CG 4.32Å; R187-L211 HydrophobicContact CG-CD2 4.07Å; A190-L211 HydrophobicContact CB-CD2 3.95Å; L208-L211 HydrophobicContact CD2-CD2 4.35Å; L208-L211 WeakPolarHBondContact O-CB 3.44Å; L208-L211 PolarHBondContact O-N 2.83Å; L211-Y218 HydrophobicContact CD1-CD1 4.48Å; L211-Y218 HydrophobicContact CD2-CD1 4.43Å; L211-Y218 HydrophobicContact CG-CD1 4.25Å; L211-W220 HydrophobicContact CB-CE3 4.34Å; L211-W220 HydrophobicContact CB-CZ3 3.95Å; L211-W220 HydrophobicContact CD1-CE3 4.29Å; L211-W220 HydrophobicContact CD1-CH2 4.49Å; L211-W220 HydrophobicContact CD1-CZ3 4.17Å
212	V	94.9	Very high	94.3	Very high	19 Å²	19	44.9 Å²	44.9	12%	0.115	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	155.3	179.1	-69.2	0	0	0	0	110.9	N210 Y218 S219 R221	N210-V212 PolarHBondContact O-N 3Å; V212-Y218 VanDerWaalsContact O-CA 3.28Å; V212-Y218 WeakPolarHBondContact O-CA 3.12Å; V212-S219 VanDerWaalsContact CG2-O 3.31Å; V212-S219 WeakPolarHBondContact CG2-O 3.44Å; V212-S219 VanDerWaalsContact CG2-OG 3.32Å; V212-S219 WeakPolarHBondContact CG2-OG 3.34Å; V212-S219 PolarHBondContact N-O 3.42Å; V212-S219 PolarHBondContact O-N 2.86Å; V212-R221 HydrophobicContact CG1-CB 3.92Å; V212-R221 HydrophobicContact CG1-CG 4.39Å; V212-R221 VanDerWaalsContact CG1-CZ 3.49Å; V212-R221 HydrophobicContact CG2-CB 4.4Å
213	E	94.8	Very high	94.7	Very high	88 Å²	88	42.2 Å²	42.2	41%	0.411	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.6	176.9	-175.2	-170.1	166.2	0	0	108.2	H217 Y218	E213-H217 CarbonylContact C-O 3.59Å; E213-H217 VanDerWaalsContact CA-O 3.27Å; E213-H217 WeakPolarHBondContact CA-O 3.46Å; E213-Y218 HydrophobicContact CB-CD1 4.02Å; E213-Y218 HydrophobicContact CB-CE1 3.66Å; E213-Y218 HydrophobicContact CG-CD1 4.37Å; E213-Y218 HydrophobicContact CG-CE1 3.81Å; E213-Y218 HydrophobicContact CG-CE2 4.49Å
214	E	92.3	Very high	95	Very high	125 Å²	125	42.7 Å²	42.7	58%	0.584	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	111.8	176.9	-67.9	179.9	-176.1	0	0	108.3	G216 H217	E214-G216 VanDerWaalsContact C-N 3.29Å; E214-G216 PolarHBondContact O-N 3.34Å; E214-H217 PolarHBondContact N-O 2.9Å; E214-H217 WeakPolarHBondContact O-CB 3.22Å; E214-H217 PolarHBondContact O-N 3.46Å
215	N	90.6	Very high	95.1	Very high	159 Å²	159	49.2 Å²	49.2	85%	0.85	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.4	43.3	179.8	-55.8	-43.2	0	0	0	113.7	H217	N215-H217 PolarHBondContact O-CD2 3.34Å; N215-H217 PolarHBondContact O-N 2.88Å
216	G	90.3	Very high	95.2	Very high	9 Å²	9	46.9 Å²	46.9	9%	0.093	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	-3.6	-178.6	0	0	0	0	0	114.9	T179 D180 E214	T179-G216 CarbonylContact C-O 3.27Å; T179-G216 VanDerWaalsContact CA-O 3.31Å; T179-G216 WeakPolarHBondContact CA-O 3.43Å; D180-G216 PolarHBondContact N-O 3.34Å; E214-G216 VanDerWaalsContact C-N 3.29Å; E214-G216 PolarHBondContact O-N 3.34Å
217	H	93.3	Very high	95.4	Very high	111 Å²	111	45 Å²	45	51%	0.514	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	144.4	173.4	-64.8	-93.5	0	0	0	111.3	T179 E213 E214 N215	T179-H217 VanDerWaalsContact CG2-ND1 3.32Å; T179-H217 WeakPolarHBondContact CG2-ND1 3.29Å; E213-H217 CarbonylContact C-O 3.59Å; E213-H217 VanDerWaalsContact CA-O 3.27Å; E213-H217 WeakPolarHBondContact CA-O 3.46Å; E214-H217 PolarHBondContact N-O 2.9Å; E214-H217 WeakPolarHBondContact O-CB 3.22Å; E214-H217 PolarHBondContact O-N 3.46Å; N215-H217 PolarHBondContact O-CD2 3.34Å; N215-H217 PolarHBondContact O-N 2.88Å
218	Y	95	Very high	95.5	Very high	32 Å²	32	46.8 Å²	46.8	13%	0.125	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.1	177.9	-66.9	-85.9	0	0	0	111.2	I177 I181 R183 A186 L211 V212 E213	I177-Y218 HydrophobicContact CD1-CG 4.38Å; I177-Y218 HydrophobicContact CG2-CD2 3.59Å; I177-Y218 HydrophobicContact CG2-CE2 4.27Å; I177-Y218 HydrophobicContact CG2-CG 3.92Å; I181-Y218 HydrophobicContact CG1-CE2 3.9Å; I181-Y218 PolarHBondContact O-OH 3.5Å; R183-Y218 WeakPolarHBondContact CA-OH 3.49Å; R183-Y218 HydrophobicContact CB-CE1 4.47Å; R183-Y218 HydrophobicContact CG-CE1 4.31Å; R183-Y218 PolarHBondContact N-OH 3.23Å; R183-Y218 VanDerWaalsContact N-OH 3.09Å; A186-Y218 HydrophobicContact CB-CD1 3.82Å; A186-Y218 HydrophobicContact CB-CD2 3.92Å; A186-Y218 HydrophobicContact CB-CE1 3.4Å; A186-Y218 HydrophobicContact CB-CE2 3.54Å; A186-Y218 HydrophobicContact CB-CG 4.05Å; L211-Y218 HydrophobicContact CD1-CD1 4.48Å; L211-Y218 HydrophobicContact CD2-CD1 4.43Å; L211-Y218 HydrophobicContact CG-CD1 4.25Å; V212-Y218 VanDerWaalsContact O-CA 3.28Å; V212-Y218 WeakPolarHBondContact O-CA 3.12Å; E213-Y218 HydrophobicContact CB-CD1 4.02Å; E213-Y218 HydrophobicContact CB-CE1 3.66Å; E213-Y218 HydrophobicContact CG-CD1 4.37Å; E213-Y218 HydrophobicContact CG-CE1 3.81Å; E213-Y218 HydrophobicContact CG-CE2 4.49Å
219	S	94.2	Very high	95.5	Very high	47 Å²	47	50.4 Å²	50.4	33%	0.329	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	169.8	178.3	65.8	0	0	0	0	110.8	V212	V212-S219 VanDerWaalsContact CG2-O 3.31Å; V212-S219 WeakPolarHBondContact CG2-O 3.44Å; V212-S219 VanDerWaalsContact CG2-OG 3.32Å; V212-S219 WeakPolarHBondContact CG2-OG 3.34Å; V212-S219 PolarHBondContact N-O 3.42Å; V212-S219 PolarHBondContact O-N 2.86Å
220	W	96.6	Very high	95.5	Very high	33 Å²	33	49.3 Å²	49.3	13%	0.125	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.8	172.2	-61.7	112	0	0	0	109.5	M172 M175 L194 L208 N210 L211 V222 L224	M172-W220 HydrophobicContact CB-CD2 4.48Å; M172-W220 HydrophobicContact CB-CZ2 3.72Å; M172-W220 HydrophobicContact CE-CD2 3.53Å; M172-W220 HydrophobicContact CE-CE3 3.45Å; M172-W220 VanDerWaalsContact CE-CE3 3.45Å; M172-W220 HydrophobicContact CE-CG 4.07Å; M172-W220 HydrophobicContact CE-CH2 4.09Å; M172-W220 HydrophobicContact CE-CZ2 4.13Å; M172-W220 HydrophobicContact CE-CZ3 3.76Å; M172-W220 HydrophobicContact CG-CH2 4.09Å; M172-W220 HydrophobicContact CG-CZ2 3.73Å; M172-W220 PolarHBondContact O-NE1 3.14Å; M175-W220 HydrophobicContact CB-CZ2 4.27Å; M175-W220 HydrophobicContact CE-CD2 4.26Å; M175-W220 HydrophobicContact CE-CH2 3.92Å; M175-W220 HydrophobicContact CE-CZ2 3.21Å; M175-W220 HydrophobicContact CG-CZ2 4.39Å; M175-W220 HydrophobicContact SD-CH2 3.64Å; M175-W220 HydrophobicContact SD-CZ2 3.21Å; M175-W220 WeakPolarHBondContact SD-CZ2 3.39Å; L194-W220 HydrophobicContact CD1-CH2 4.46Å; L208-W220 HydrophobicContact CD2-CH2 4.35Å; N210-W220 HydrophobicContact CB-CE3 4.18Å; L211-W220 HydrophobicContact CB-CE3 4.34Å; L211-W220 HydrophobicContact CB-CZ3 3.95Å; L211-W220 HydrophobicContact CD1-CE3 4.29Å; L211-W220 HydrophobicContact CD1-CH2 4.49Å; L211-W220 HydrophobicContact CD1-CZ3 4.17Å; W220-V222 HydrophobicContact CB-CG2 4.22Å; W220-V222 PolarHBondContact O-N 2.96Å; W220-L224 HydrophobicContact CB-CD1 4.07Å; W220-L224 HydrophobicContact CB-CG 4.19Å; W220-L224 HydrophobicContact CD2-CD1 4.42Å; W220-L224 HydrophobicContact CG-CD1 3.64Å; W220-L224 HydrophobicContact CG-CG 4.27Å
221	R	97.3	Very high	95.4	Very high	61 Å²	61	49.9 Å²	49.9	23%	0.23	26%	0.264	C	S	.	.	S	Bend	trans	-58.4	-31.4	175.3	-171.5	180	-60.7	116.7	0.9	112.3	G94 H98 T209 N210 V212	G94-R221 VanDerWaalsContact O-CD 3.27Å; G94-R221 WeakPolarHBondContact O-CD 3.46Å; G94-R221 WeakPolarHBondContact O-CG 2.78Å; H98-R221 PolarHBondContact CE1-O 3.02Å; H98-R221 PolarHBondContact NE2-O 2.99Å; T209-R221 PolarHBondContact O-NH1 2.81Å; N210-R221 HydrophobicContact CB-CB 4.25Å; N210-R221 WeakPolarHBondContact O-CB 3.35Å; N210-R221 PolarHBondContact O-N 3.29Å; V212-R221 HydrophobicContact CG1-CB 3.92Å; V212-R221 HydrophobicContact CG1-CG 4.39Å; V212-R221 VanDerWaalsContact CG1-CZ 3.49Å; V212-R221 HydrophobicContact CG2-CB 4.4Å
222	V	98	Very high	95.2	Very high	3 Å²	3	53.8 Å²	53.8	2%	0.018	28%	0.282	C	S	.	.	S	Bend	trans	-82.2	146.3	177.1	-68.4	0	0	0	0	111.3	F64 N92 M172 N210 W220 L224 I227	F64-V222 HydrophobicContact CD1-CG1 4.38Å; F64-V222 HydrophobicContact CD1-CG2 4.11Å; F64-V222 HydrophobicContact CE1-CG2 4.42Å; N92-V222 VanDerWaalsContact O-CA 3.32Å; N92-V222 WeakPolarHBondContact O-CA 3.33Å; M172-V222 HydrophobicContact CE-CG2 4.16Å; N210-V222 HydrophobicContact CB-CG2 4.44Å; N210-V222 WeakPolarHBondContact OD1-CG1 3.37Å; W220-V222 HydrophobicContact CB-CG2 4.22Å; W220-V222 PolarHBondContact O-N 2.96Å; V222-L224 VanDerWaalsContact C-N 3.32Å; V222-L224 HydrophobicContact CG2-CD2 3.74Å; V222-L224 HydrophobicContact CG2-CG 4.07Å; V222-L224 PolarHBondContact O-N 3.2Å; V222-I227 HydrophobicContact CB-CD1 3.81Å; V222-I227 HydrophobicContact CG1-CD1 4.44Å; V222-I227 HydrophobicContact CG2-CD1 4.32Å
223	N	97.8	Very high	95	Very high	25 Å²	25	56.6 Å²	56.6	13%	0.134	29%	0.293	C	S	.	.			trans	-75.3	85.4	171.7	-172.6	-11.5	0	0	0	110.1	N92 H98 T99 E225 A226 I227	N92-N223 HydrophobicContact CB-CB 3.72Å; N92-N223 PolarHBondContact O-N 3.47Å; N92-N223 VanDerWaalsContact OD1-CB 3.24Å; N92-N223 WeakPolarHBondContact OD1-CB 3.38Å; N92-N223 PolarHBondContact OD1-ND2 2.73Å; H98-N223 HydrophobicContact CB-CB 4.2Å; T99-N223 PolarHBondContact O-ND2 2.83Å; N223-E225 PolarHBondContact O-N 3.05Å; N223-E225 PolarHBondContact OD1-N 2.96Å; N223-A226 HydrophobicContact CB-CB 4.23Å; N223-A226 VanDerWaalsContact ND2-CB 3.32Å; N223-A226 WeakPolarHBondContact ND2-CB 3.43Å; N223-A226 PolarHBondContact O-N 2.97Å; N223-A226 PolarHBondContact OD1-N 3.31Å; N223-A226 VanDerWaalsContact OD1-N 3.14Å; N223-I227 WeakPolarHBondContact O-CB 3.49Å; N223-I227 WeakPolarHBondContact O-CD1 3.48Å; N223-I227 VanDerWaalsContact O-CG1 3.25Å; N223-I227 WeakPolarHBondContact O-CG1 3.34Å; N223-I227 PolarHBondContact O-N 2.65Å
224	L	96.4	Very high	95	Very high	16 Å²	16	52.8 Å²	52.8	8%	0.084	28%	0.276	C	S	.	.	H	α-helix	trans	-61.1	-31.6	-178.7	-74.8	-176.3	0	0	0	113.2	F64 M172 Q173 W220 V222 A228	F64-L224 HydrophobicContact CE1-CD2 4.02Å; M172-L224 HydrophobicContact CB-CD1 3.64Å; M172-L224 HydrophobicContact CB-CD2 4.37Å; M172-L224 HydrophobicContact CE-CD1 4.33Å; M172-L224 HydrophobicContact CE-CD2 3.89Å; M172-L224 HydrophobicContact SD-CD2 4.12Å; Q173-L224 HydrophobicContact CG-CB 4.46Å; Q173-L224 HydrophobicContact CG-CD1 4.2Å; W220-L224 HydrophobicContact CB-CD1 4.07Å; W220-L224 HydrophobicContact CB-CG 4.19Å; W220-L224 HydrophobicContact CD2-CD1 4.42Å; W220-L224 HydrophobicContact CG-CD1 3.64Å; W220-L224 HydrophobicContact CG-CG 4.27Å; V222-L224 VanDerWaalsContact C-N 3.32Å; V222-L224 HydrophobicContact CG2-CD2 3.74Å; V222-L224 HydrophobicContact CG2-CG 4.07Å; V222-L224 PolarHBondContact O-N 3.2Å; L224-A228 WeakPolarHBondContact O-CB 3.25Å; L224-A228 PolarHBondContact O-N 3.18Å
225	E	96.8	Very high	95	Very high	156 Å²	156	47.2 Å²	47.2	73%	0.729	25%	0.25	S	S	*	.	H	α-helix	trans	-66.6	-51	179.9	-175.2	171	179.7	0	0	111	N223 I227 A228 A229	N223-E225 PolarHBondContact O-N 3.05Å; N223-E225 PolarHBondContact OD1-N 2.96Å; E225-I227 PolarHBondContact O-N 3.49Å; E225-A228 PolarHBondContact O-N 3.38Å; E225-A229 WeakPolarHBondContact O-CB 3.32Å; E225-A229 PolarHBondContact O-N 3.43Å
226	A	97.1	Very high	95.1	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-41.2	176.5	0	0	0	0	0	112.1	T99 N223 A229 H230	T99-A226 WeakPolarHBondContact O-CB 3.18Å; N223-A226 HydrophobicContact CB-CB 4.23Å; N223-A226 VanDerWaalsContact ND2-CB 3.32Å; N223-A226 WeakPolarHBondContact ND2-CB 3.43Å; N223-A226 PolarHBondContact O-N 2.97Å; N223-A226 PolarHBondContact OD1-N 3.31Å; N223-A226 VanDerWaalsContact OD1-N 3.14Å; A226-A229 PolarHBondContact O-N 2.97Å; A226-H230 PolarHBondContact O-N 2.87Å; A226-H230 PolarHBondContact O-ND1 3.49Å
227	I	97.6	Very high	95.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.9	-44.7	177.1	-70.3	167.9	0	0	0	111.1	L63 F64 L102 I169 V222 N223 E225 A229 H230 L231	L63-I227 HydrophobicContact CD1-CD1 4.18Å; L63-I227 HydrophobicContact CD1-CG1 4.27Å; L63-I227 HydrophobicContact CD1-CG2 3.91Å; F64-I227 HydrophobicContact CD1-CD1 4.27Å; F64-I227 HydrophobicContact CE1-CD1 4.06Å; F64-I227 HydrophobicContact CE1-CG2 4.1Å; F64-I227 HydrophobicContact CZ-CG2 4.48Å; L102-I227 HydrophobicContact CD2-CB 4.43Å; L102-I227 HydrophobicContact CD2-CG1 3.68Å; I169-I227 HydrophobicContact CD1-CG2 3.76Å; I169-I227 HydrophobicContact CG1-CG2 4.27Å; V222-I227 HydrophobicContact CB-CD1 3.81Å; V222-I227 HydrophobicContact CG1-CD1 4.44Å; V222-I227 HydrophobicContact CG2-CD1 4.32Å; N223-I227 WeakPolarHBondContact O-CB 3.49Å; N223-I227 WeakPolarHBondContact O-CD1 3.48Å; N223-I227 VanDerWaalsContact O-CG1 3.25Å; N223-I227 WeakPolarHBondContact O-CG1 3.34Å; N223-I227 PolarHBondContact O-N 2.65Å; E225-I227 PolarHBondContact O-N 3.49Å; I227-A229 VanDerWaalsContact C-N 3.35Å; I227-A229 PolarHBondContact O-N 3.19Å; I227-H230 PolarHBondContact O-N 3.14Å; I227-L231 WeakPolarHBondContact O-CA 3.18Å; I227-L231 PolarHBondContact O-N 3.11Å
228	A	96.5	Very high	95.4	Very high	38 Å²	38	38 Å²	38	31%	0.314	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-43.6	177.5	0	0	0	0	0	111.5	I169 L224 E225 H230	I169-A228 HydrophobicContact CG2-CB 3.77Å; L224-A228 WeakPolarHBondContact O-CB 3.25Å; L224-A228 PolarHBondContact O-N 3.18Å; E225-A228 PolarHBondContact O-N 3.38Å; A228-H230 VanDerWaalsContact C-N 3.28Å; A228-H230 PolarHBondContact O-N 3.48Å
229	A	96.5	Very high	95.2	Very high	76 Å²	76	47 Å²	47	63%	0.628	24%	0.24	S	C	*	.	H	α-helix	trans	-64.5	-30.4	179.8	0	0	0	0	0	113.3	E225 A226 I227	E225-A229 WeakPolarHBondContact O-CB 3.32Å; E225-A229 PolarHBondContact O-N 3.43Å; A226-A229 PolarHBondContact O-N 2.97Å; I227-A229 VanDerWaalsContact C-N 3.35Å; I227-A229 PolarHBondContact O-N 3.19Å
230	H	96.1	Very high	95.1	Very high	32 Å²	32	46.1 Å²	46.1	15%	0.148	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	9.7	-176	-63.8	76.7	0	0	0	113.6	P100 L102 A226 I227 A228 E232 E233 I234	P100-H230 PolarHBondContact O-CE1 3Å; L102-H230 HydrophobicContact CB-CB 4Å; A226-H230 PolarHBondContact O-N 2.87Å; A226-H230 PolarHBondContact O-ND1 3.49Å; I227-H230 PolarHBondContact O-N 3.14Å; A228-H230 VanDerWaalsContact C-N 3.28Å; A228-H230 PolarHBondContact O-N 3.48Å; H230-E232 VanDerWaalsContact C-N 3.31Å; H230-E232 PolarHBondContact O-N 2.88Å; H230-E233 IonicContact CD2-OE2 3.7Å; H230-E233 WeakPolarHBondContact O-CB 3.43Å; H230-E233 PolarHBondContact O-N 3.23Å; H230-I234 HydrophobicContact CB-CD1 4.21Å; H230-I234 HydrophobicContact CB-CG1 4.41Å; H230-I234 WeakPolarHBondContact O-CG1 3.34Å; H230-I234 PolarHBondContact O-N 3Å
231	L	94.5	Very high	94.8	Very high	13 Å²	13	50.6 Å²	50.6	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-55.3	-45.5	-172.7	179.4	64.3	0	0	0	112.3	L63 F165 R166 I169 I227 E233 I234 M235	L63-L231 HydrophobicContact CD2-CD1 4.5Å; F165-L231 HydrophobicContact CB-CD1 3.9Å; R166-L231 HydrophobicContact CB-CD2 3.77Å; I169-L231 HydrophobicContact CD1-CB 4.42Å; I169-L231 HydrophobicContact CD1-CD1 3.85Å; I169-L231 HydrophobicContact CD1-CD2 3.9Å; I169-L231 HydrophobicContact CD1-CG 4.26Å; I227-L231 WeakPolarHBondContact O-CA 3.18Å; I227-L231 PolarHBondContact O-N 3.11Å; L231-E233 VanDerWaalsContact C-N 3.27Å; L231-E233 PolarHBondContact O-N 3.25Å; L231-I234 PolarHBondContact O-N 3.09Å; L231-M235 HydrophobicContact CD1-CG 3.85Å; L231-M235 HydrophobicContact CD1-SD 4.37Å; L231-M235 HydrophobicContact CG-CG 4.16Å; L231-M235 VanDerWaalsContact O-CB 3.31Å; L231-M235 WeakPolarHBondContact O-CB 3.21Å; L231-M235 WeakPolarHBondContact O-CG 3.44Å; L231-M235 PolarHBondContact O-N 3.33Å
232	E	91.7	Very high	94.7	Very high	83 Å²	83	49.8 Å²	49.8	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-61.4	-36.9	179.6	-67.2	-62.4	152.3	0	0	112.3	T160 R166 H230 M235 S236	T160-E232 WeakPolarHBondContact CG2-OE2 3.42Å; R166-E232 IonicContact CZ-OE1 3.82Å; R166-E232 IonicContact NH1-OE1 2.97Å; R166-E232 PolarHBondContact NH1-OE1 2.95Å; R166-E232 IonicContact NH2-OE1 3.88Å; R166-E232 PolarHBondContact NH2-OE1 3.17Å; H230-E232 VanDerWaalsContact C-N 3.31Å; H230-E232 PolarHBondContact O-N 2.88Å; E232-M235 PolarHBondContact O-N 2.95Å; E232-S236 WeakPolarHBondContact O-CB 3.44Å; E232-S236 PolarHBondContact O-N 3.4Å
233	E	91.8	Very high	94.7	Very high	78 Å²	78	53 Å²	53	36%	0.364	28%	0.28	S	S	.	.	H	α-helix	trans	-70.5	-43.8	177.9	-62.9	178.9	-161.4	0	0	111.3	H230 L231 M235 S236	H230-E233 IonicContact CD2-OE2 3.7Å; H230-E233 WeakPolarHBondContact O-CB 3.43Å; H230-E233 PolarHBondContact O-N 3.23Å; L231-E233 VanDerWaalsContact C-N 3.27Å; L231-E233 PolarHBondContact O-N 3.25Å; E233-M235 VanDerWaalsContact C-N 3.26Å; E233-M235 PolarHBondContact O-N 2.94Å; E233-S236 CarbonylContact O-C 3.24Å; E233-S236 WeakPolarHBondContact O-CA 3.19Å; E233-S236 PolarHBondContact O-N 3.4Å
234	I	94.6	Very high	94.8	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-37	174	-62.5	163.4	0	0	0	110.9	L63 L102 Y104 M130 K133 H230 L231 S236	L63-I234 HydrophobicContact CD1-CD1 4.42Å; L63-I234 HydrophobicContact CD2-CG2 4.46Å; L102-I234 HydrophobicContact CD2-CD1 3.51Å; L102-I234 HydrophobicContact CD2-CG1 4.38Å; L102-I234 HydrophobicContact CG-CD1 3.94Å; L102-I234 HydrophobicContact CG-CG1 4.28Å; Y104-I234 PolarHBondContact OH-O 3.46Å; M130-I234 HydrophobicContact CG-CG2 4.3Å; K133-I234 PolarHBondContact NZ-O 3.01Å; H230-I234 HydrophobicContact CB-CD1 4.21Å; H230-I234 HydrophobicContact CB-CG1 4.41Å; H230-I234 WeakPolarHBondContact O-CG1 3.34Å; H230-I234 PolarHBondContact O-N 3Å; L231-I234 PolarHBondContact O-N 3.09Å; I234-S236 PolarHBondContact O-N 2.95Å
235	M	92.6	Very high	94.9	Very high	9 Å²	9	58.3 Å²	58.3	4%	0.044	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-10.2	176.9	-66.9	-50.4	-55.9	0	0	112.4	K133 Q158 T159 T160 T163 F165 L231 E232 E233	K133-M235 PolarHBondContact NZ-O 3.33Å; Q158-M235 CarbonylContact C-O 3.51Å; Q158-M235 WeakPolarHBondContact CA-O 3.42Å; T159-M235 PolarHBondContact N-O 2.97Å; T159-M235 WeakPolarHBondContact O-CE 3.47Å; T159-M235 WeakPolarHBondContact OG1-CE 3.5Å; T159-M235 PolarHBondContact OG1-O 3.31Å; T159-M235 VanDerWaalsContact OG1-O 3.14Å; T160-M235 HydrophobicContact CG2-CB 3.44Å; T160-M235 VanDerWaalsContact CG2-CB 3.44Å; T160-M235 HydrophobicContact CG2-CG 4.35Å; T163-M235 HydrophobicContact CG2-CE 3.22Å; T163-M235 HydrophobicContact CG2-SD 4.3Å; T163-M235 WeakPolarHBondContact OG1-CE 3.32Å; F165-M235 HydrophobicContact CD2-CE 4.41Å; F165-M235 HydrophobicContact CD2-SD 3.72Å; F165-M235 HydrophobicContact CE2-SD 4.36Å; L231-M235 HydrophobicContact CD1-CG 3.85Å; L231-M235 HydrophobicContact CD1-SD 4.37Å; L231-M235 HydrophobicContact CG-CG 4.16Å; L231-M235 VanDerWaalsContact O-CB 3.31Å; L231-M235 WeakPolarHBondContact O-CB 3.21Å; L231-M235 WeakPolarHBondContact O-CG 3.44Å; L231-M235 PolarHBondContact O-N 3.33Å; E232-M235 PolarHBondContact O-N 2.95Å; E233-M235 VanDerWaalsContact C-N 3.26Å; E233-M235 PolarHBondContact O-N 2.94Å
236	S	92.9	Very high	95	Very high	42 Å²	42	51.6 Å²	51.6	29%	0.294	28%	0.276	S	S	.	.	S	Bend	trans	-102.6	-173.7	175.3	-161.7	0	0	0	0	111.7	Y104 K133 E232 E233 I234	Y104-S236 WeakPolarHBondContact CE2-O 3.48Å; K133-S236 WeakPolarHBondContact CD-O 3.28Å; K133-S236 WeakPolarHBondContact CE-O 3.37Å; K133-S236 PolarHBondContact NZ-O 3.35Å; E232-S236 WeakPolarHBondContact O-CB 3.44Å; E232-S236 PolarHBondContact O-N 3.4Å; E233-S236 CarbonylContact O-C 3.24Å; E233-S236 WeakPolarHBondContact O-CA 3.19Å; E233-S236 PolarHBondContact O-N 3.4Å; I234-S236 PolarHBondContact O-N 2.95Å
237	F	95.3	Very high	95	Very high	22 Å²	22	54.1 Å²	54.1	10%	0.096	29%	0.292	C	S	.	.			trans	-135	138.2	171.7	-170.9	-106.1	0	0	0	108.5	K133 M136 L140 P156 L240 L270	K133-F237 HydrophobicContact CB-CD2 4.05Å; K133-F237 HydrophobicContact CB-CE2 4.22Å; K133-F237 HydrophobicContact CD-CD2 4.19Å; K133-F237 HydrophobicContact CG-CD2 3.81Å; K133-F237 HydrophobicContact CG-CE2 4.31Å; M136-F237 HydrophobicContact CB-CE2 3.9Å; M136-F237 HydrophobicContact CB-CZ 3.93Å; M136-F237 HydrophobicContact CE-CD2 4.21Å; M136-F237 HydrophobicContact CE-CE2 3.87Å; L140-F237 HydrophobicContact CD1-CE1 4.19Å; L140-F237 HydrophobicContact CD1-CZ 3.95Å; P156-F237 HydrophobicContact CB-CD1 3.49Å; P156-F237 VanDerWaalsContact CB-CD1 3.49Å; P156-F237 HydrophobicContact CB-CD2 4.3Å; P156-F237 HydrophobicContact CB-CE1 3.57Å; P156-F237 HydrophobicContact CB-CE2 4.38Å; P156-F237 HydrophobicContact CB-CG 3.88Å; P156-F237 HydrophobicContact CB-CZ 4.04Å; F237-L240 HydrophobicContact CE1-CD1 4.43Å; F237-L240 HydrophobicContact CZ-CD1 4.38Å; F237-L270 HydrophobicContact CE1-CD1 3.88Å
238	P	93	Very high	95.1	Very high	21 Å²	21	54.1 Å²	54.1	14%	0.136	29%	0.293	C	S	.	.			trans	-63.4	142.8	-179.4	27.4	-35.7	0	0	0	110	E105 L240	E105-P238 WeakPolarHBondContact OE1-CB 3.47Å; P238-L240 HydrophobicContact CB-CG 4.37Å; P238-L240 HydrophobicContact CG-CD1 4.08Å; P238-L240 HydrophobicContact CG-CG 4.26Å; P238-L240 PolarHBondContact O-N 3.1Å; P238-L240 VanDerWaalsContact O-N 3.12Å
239	R	91.8	Very high	95.2	Very high	222 Å²	222	52.3 Å²	52.3	84%	0.838	28%	0.278	S	S	*	.			trans	-73.8	108	175.2	-174.5	177.3	177.2	-173.7	-0.2	108.8
240	L	91.7	Very high	95.3	Very high	27 Å²	27	48.7 Å²	48.7	14%	0.141	25%	0.248	C	C	.	.			trans	-118.6	132.4	178.1	-61.7	172.8	0	0	0	109.5	T137 L140 T141 F237 P238 R269 L270	T137-L240 HydrophobicContact CG2-CD1 4.41Å; L140-L240 HydrophobicContact CB-CD1 3.94Å; L140-L240 HydrophobicContact CD1-CB 4.32Å; L140-L240 HydrophobicContact CD1-CD1 3.65Å; L140-L240 HydrophobicContact CG-CD1 4.47Å; T141-L240 HydrophobicContact CG2-CD1 4.48Å; T141-L240 HydrophobicContact CG2-CD2 4.41Å; F237-L240 HydrophobicContact CE1-CD1 4.43Å; F237-L240 HydrophobicContact CZ-CD1 4.38Å; P238-L240 HydrophobicContact CB-CG 4.37Å; P238-L240 HydrophobicContact CG-CD1 4.08Å; P238-L240 HydrophobicContact CG-CG 4.26Å; P238-L240 PolarHBondContact O-N 3.1Å; P238-L240 VanDerWaalsContact O-N 3.12Å; L240-R269 PolarHBondContact O-NH1 3.31Å; L240-R269 PolarHBondContact O-NH2 2.82Å; L240-L270 WeakPolarHBondContact O-CD2 3.49Å
241	D	90.9	Very high	95.4	Very high	128 Å²	128	47.2 Å²	47.2	68%	0.684	24%	0.241	S	C	*	.			trans	-96.9	-3.9	177.4	-63	-42.9	0	0	0	112.3
242	S	95.7	Very high	95.6	Very high	43 Å²	43	46.6 Å²	46.6	30%	0.301	24%	0.237	S	C	.	.			trans	-76.1	163.1	175.1	57.6	0	0	0	0	112.2	L140 L270	L140-S242 WeakPolarHBondContact CD2-O 3.47Å; L140-S242 WeakPolarHBondContact O-CB 3.29Å; L140-S242 PolarHBondContact O-OG 3.42Å; S242-L270 VanDerWaalsContact O-CD2 3.28Å; S242-L270 WeakPolarHBondContact O-CD2 3.37Å
243	V	98.3	Very high	95.9	Very high	70 Å²	70	42.6 Å²	42.6	42%	0.424	22%	0.219	S	C	.	.			trans	-126	137.9	178.9	178.3	0	0	0	0	108.4	E245 P272	V243-E245 HydrophobicContact CG1-CG 4.16Å; V243-P272 HydrophobicContact CG1-CG 3.66Å
244	Y	98.6	Very high	96.1	Very high	7 Å²	7	41.6 Å²	41.6	3%	0.027	22%	0.224	C	C	.	.			trans	-105.1	108.8	170	178.5	-106.9	0	0	0	109.7	A139 P143 V146 L149 G246 T248 L270 F271	A139-Y244 HydrophobicContact CB-CD1 4.04Å; A139-Y244 HydrophobicContact CB-CD2 3.83Å; A139-Y244 HydrophobicContact CB-CE1 4.29Å; A139-Y244 HydrophobicContact CB-CE2 4.12Å; A139-Y244 HydrophobicContact CB-CG 3.78Å; A139-Y244 WeakPolarHBondContact O-CD2 3.31Å; P143-Y244 HydrophobicContact CB-CD2 3.9Å; P143-Y244 HydrophobicContact CB-CE2 4.15Å; V146-Y244 HydrophobicContact CB-CE2 4.04Å; V146-Y244 HydrophobicContact CG1-CE2 4.38Å; V146-Y244 WeakPolarHBondContact CG1-OH 3.35Å; V146-Y244 PolarHBondContact O-OH 3.31Å; L149-Y244 HydrophobicContact CB-CE1 4.01Å; L149-Y244 HydrophobicContact CD2-CD1 4.5Å; Y244-G246 VanDerWaalsContact C-N 3.31Å; Y244-G246 VanDerWaalsContact CE1-CA 3.42Å; Y244-G246 VanDerWaalsContact CZ-CA 3.5Å; Y244-T248 WeakPolarHBondContact CD1-OG1 3.43Å; Y244-L270 PolarHBondContact N-O 3.35Å; Y244-F271 AromaticContact CD1-CD1 3.98Å; Y244-F271 HydrophobicContact CD1-CD1 3.98Å; Y244-F271 HydrophobicContact CD1-CE1 4.34Å; Y244-F271 HydrophobicContact CG-CD1 4.39Å; Y244-F271 HydrophobicContact CG-CE1 4.5Å
245	E	98.5	Very high	96.1	Very high	147 Å²	147	45.4 Å²	45.4	69%	0.687	25%	0.251	S	S	*	.			trans	-86.2	2.2	-179.3	-59.8	-172.4	140.9	0	0	113.2	V243 P272 N273	V243-E245 HydrophobicContact CG1-CG 4.16Å; E245-P272 HydrophobicContact CG-CG 4.42Å; E245-N273 PolarHBondContact O-ND2 2.8Å
246	G	98.4	Very high	96.1	Very high	15 Å²	15	46 Å²	46	16%	0.155	26%	0.256	C	S	.	.	S	Bend	trans	-71.7	159.6	177.5	0	0	0	0	0	112.6	Y244 T248	Y244-G246 VanDerWaalsContact C-N 3.31Å; Y244-G246 VanDerWaalsContact CE1-CA 3.42Å; Y244-G246 VanDerWaalsContact CZ-CA 3.5Å; G246-T248 PolarHBondContact O-N 2.8Å; G246-T248 PolarHBondContact O-OG1 3Å; G246-T248 VanDerWaalsContact O-OG1 3.05Å
247	P	98.7	Very high	96	Very high	55 Å²	55	47.1 Å²	47.1	36%	0.357	27%	0.268	S	S	.	.			trans	-55.9	128.2	175.5	-20.8	31.3	0	0	0	110.2	R148 L149 F301	R148-P247 WeakPolarHBondContact CA-O 3.5Å; R148-P247 HydrophobicContact CG-CB 4.12Å; R148-P247 HydrophobicContact CG-CG 4.25Å; L149-P247 PolarHBondContact N-O 3.46Å; P247-F301 HydrophobicContact CB-CE2 4.1Å; P247-F301 HydrophobicContact CB-CZ 4Å
248	T	98.9	Very high	95.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	134.1	-176.4	-58.8	0	0	0	0	110.3	L149 Y244 G246 F250 F271 N273 A274 D275	L149-T248 HydrophobicContact CB-CG2 4.11Å; L149-T248 HydrophobicContact CD2-CG2 3.85Å; L149-T248 HydrophobicContact CG-CG2 4.03Å; L149-T248 CarbonylContact O-C 3.51Å; L149-T248 VanDerWaalsContact O-CA 3.31Å; L149-T248 WeakPolarHBondContact O-CA 3.33Å; Y244-T248 WeakPolarHBondContact CD1-OG1 3.43Å; G246-T248 PolarHBondContact O-N 2.8Å; G246-T248 PolarHBondContact O-OG1 3Å; G246-T248 VanDerWaalsContact O-OG1 3.05Å; T248-F250 HydrophobicContact CG2-CD2 3.81Å; T248-F250 HydrophobicContact CG2-CE2 3.47Å; T248-F250 VanDerWaalsContact CG2-CE2 3.47Å; T248-F250 HydrophobicContact CG2-CZ 4.42Å; T248-F271 HydrophobicContact CG2-CB 4.26Å; T248-F271 HydrophobicContact CG2-CD1 4.28Å; T248-F271 HydrophobicContact CG2-CG 4.34Å; T248-N273 PolarHBondContact N-O 2.89Å; T248-A274 HydrophobicContact CG2-CB 4.38Å; T248-A274 CarbonylContact O-C 3.52Å; T248-A274 VanDerWaalsContact O-CA 3.31Å; T248-A274 WeakPolarHBondContact O-CA 3.39Å; T248-D275 PolarHBondContact O-N 3.49Å
249	L	98.9	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.6	171.4	174	64.2	0	0	0	109.2	L149 V150 V151 L251 D275 Q277 F301	L149-L249 PolarHBondContact O-N 3.14Å; V150-L249 CarbonylContact C-O 3.55Å; V150-L249 WeakPolarHBondContact CA-O 3.3Å; V150-L249 HydrophobicContact CG1-CB 4.5Å; V150-L249 HydrophobicContact CG1-CD2 4.2Å; V150-L249 HydrophobicContact CG1-CG 4.47Å; V150-L249 HydrophobicContact CG2-CB 4.46Å; V151-L249 PolarHBondContact N-O 3.27Å; L249-L251 HydrophobicContact CD2-CB 4.39Å; L249-L251 HydrophobicContact CG-CB 4.27Å; L249-D275 CarbonylContact C-O 3.58Å; L249-D275 WeakPolarHBondContact CA-O 3.21Å; L249-D275 HydrophobicContact CD1-CB 4.34Å; L249-Q277 HydrophobicContact CD1-CB 4.09Å; L249-Q277 HydrophobicContact CD1-CG 3.75Å; L249-F301 HydrophobicContact CB-CD1 4.02Å; L249-F301 HydrophobicContact CB-CD2 3.87Å; L249-F301 HydrophobicContact CB-CE1 4Å; L249-F301 HydrophobicContact CB-CE2 3.87Å; L249-F301 HydrophobicContact CB-CG 3.93Å; L249-F301 HydrophobicContact CB-CZ 3.93Å; L249-F301 HydrophobicContact CD2-CB 3.93Å; L249-F301 HydrophobicContact CD2-CD1 4.4Å; L249-F301 HydrophobicContact CD2-CG 4.07Å
250	F	98.8	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.9	162.7	-75.6	-100.3	0	0	0	108.3	M136 V151 T248 I259 I267 F271 A274 D275 I276 Q277	M136-F250 HydrophobicContact SD-CE1 3.81Å; M136-F250 HydrophobicContact SD-CZ 3.83Å; V151-F250 HydrophobicContact CB-CD1 3.73Å; V151-F250 HydrophobicContact CB-CE1 3.78Å; V151-F250 HydrophobicContact CB-CG 4.19Å; V151-F250 HydrophobicContact CB-CZ 4.28Å; V151-F250 HydrophobicContact CG1-CD1 3.82Å; V151-F250 HydrophobicContact CG1-CE1 3.69Å; V151-F250 HydrophobicContact CG2-CD1 4.29Å; V151-F250 HydrophobicContact CG2-CE1 3.91Å; V151-F250 HydrophobicContact CG2-CE2 4.33Å; V151-F250 HydrophobicContact CG2-CZ 3.93Å; V151-F250 WeakPolarHBondContact O-CA 3.32Å; T248-F250 HydrophobicContact CG2-CD2 3.81Å; T248-F250 HydrophobicContact CG2-CE2 3.47Å; T248-F250 VanDerWaalsContact CG2-CE2 3.47Å; T248-F250 HydrophobicContact CG2-CZ 4.42Å; F250-I259 HydrophobicContact CB-CD1 4.43Å; F250-I259 HydrophobicContact CD1-CD1 4.44Å; F250-I267 HydrophobicContact CD1-CD1 3.93Å; F250-I267 HydrophobicContact CD1-CG1 4.29Å; F250-I267 HydrophobicContact CD2-CG2 3.7Å; F250-I267 HydrophobicContact CE1-CD1 4.04Å; F250-I267 HydrophobicContact CE1-CG1 3.9Å; F250-I267 HydrophobicContact CE1-CG2 4.31Å; F250-I267 HydrophobicContact CE2-CG2 3.44Å; F250-I267 VanDerWaalsContact CE2-CG2 3.44Å; F250-I267 HydrophobicContact CG-CD1 4.35Å; F250-I267 HydrophobicContact CG-CG2 4.24Å; F250-I267 HydrophobicContact CZ-CB 4.42Å; F250-I267 HydrophobicContact CZ-CG1 4.03Å; F250-I267 HydrophobicContact CZ-CG2 3.78Å; F250-F271 HydrophobicContact CE2-CB 4.13Å; F250-F271 AromaticContact CE2-CD2 3.89Å; F250-F271 HydrophobicContact CE2-CD2 3.89Å; F250-F271 HydrophobicContact CE2-CG 4.06Å; F250-F271 AromaticContact CZ-CD2 3.61Å; F250-F271 HydrophobicContact CZ-CD2 3.61Å; F250-F271 AromaticContact CZ-CE2 3.96Å; F250-F271 HydrophobicContact CZ-CE2 3.96Å; F250-F271 HydrophobicContact CZ-CG 4.2Å; F250-A274 HydrophobicContact CD2-CB 3.81Å; F250-A274 HydrophobicContact CE2-CB 3.91Å; F250-D275 PolarHBondContact N-O 3.47Å; F250-I276 HydrophobicContact CB-CB 4.48Å; F250-I276 HydrophobicContact CB-CG1 4.19Å; F250-I276 HydrophobicContact CB-CG2 4.29Å; F250-I276 WeakPolarHBondContact O-CA 3.39Å; F250-Q277 PolarHBondContact O-N 3.24Å
251	L	98.6	Very high	96	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	103.6	-177.6	-171.4	63	0	0	0	109.5	V151 D153 L249 Q277 I279 I286 F294	V151-L251 PolarHBondContact O-N 3.39Å; D153-L251 PolarHBondContact N-O 2.88Å; L249-L251 HydrophobicContact CD2-CB 4.39Å; L249-L251 HydrophobicContact CG-CB 4.27Å; L251-Q277 WeakPolarHBondContact CA-O 3.27Å; L251-Q277 HydrophobicContact CD1-CB 3.93Å; L251-I279 HydrophobicContact CD1-CD1 4Å; L251-I279 HydrophobicContact CD1-CG1 3.96Å; L251-I279 HydrophobicContact CD2-CD1 3.88Å; L251-I279 HydrophobicContact CG-CD1 4.06Å; L251-I279 HydrophobicContact CG-CG1 4.46Å; L251-I286 HydrophobicContact CG-CD1 4.5Å; L251-I286 WeakPolarHBondContact O-CD1 3.37Å; L251-F294 HydrophobicContact CD2-CD2 3.67Å; L251-F294 HydrophobicContact CD2-CE2 3.99Å
252	G	98.1	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	156.6	-179.9	0	0	0	0	0	113.7	D153 Q277 Y278 I279	D153-G252 VanDerWaalsContact OD1-CA 3.28Å; D153-G252 WeakPolarHBondContact OD1-CA 3.25Å; G252-Q277 PolarHBondContact N-O 2.84Å; G252-Y278 CarbonylContact O-C 3.53Å; G252-Y278 VanDerWaalsContact O-CA 3.23Å; G252-Y278 WeakPolarHBondContact O-CA 3.09Å; G252-I279 PolarHBondContact O-N 3.03Å
253	G	97.6	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	129.1	166.6	0	0	0	0	0	109	D153 S255 S256 A282 I286	D153-G253 PolarHBondContact OD1-N 3.43Å; G253-S255 PolarHBondContact O-N 3.15Å; G253-S255 VanDerWaalsContact O-N 3.11Å; G253-S256 VanDerWaalsContact O-CB 3.25Å; G253-S256 WeakPolarHBondContact O-CB 3.48Å; G253-S256 PolarHBondContact O-N 2.63Å; G253-A282 CarbonylContact C-O 3.6Å; G253-A282 VanDerWaalsContact C-O 3.24Å; G253-A282 VanDerWaalsContact CA-O 3.26Å; G253-A282 WeakPolarHBondContact CA-O 3.27Å; G253-I286 VanDerWaalsContact N-CD1 3.29Å
254	A	96.5	Very high	96.1	Very high	57 Å²	57	38.4 Å²	38.4	47%	0.471	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.4	-177.7	0	0	0	0	0	113.6	I279 A282	A254-I279 WeakPolarHBondContact CB-O 3.44Å; A254-I279 PolarHBondContact N-O 2.73Å; A254-A282 PolarHBondContact N-O 3.12Å
255	S	93.9	Very high	96	Very high	88 Å²	88	42.2 Å²	42.2	62%	0.615	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	13.1	174	-54.8	0	0	0	0	113	G253 A282	G253-S255 PolarHBondContact O-N 3.15Å; G253-S255 VanDerWaalsContact O-N 3.11Å; S255-A282 WeakPolarHBondContact CB-O 3.32Å; S255-A282 PolarHBondContact N-O 3.01Å
256	S	92.3	Very high	95.9	Very high	21 Å²	21	38.2 Å²	38.2	15%	0.147	24%	0.241	C	C	.	.			trans	-107.1	147	-179.4	-172.7	0	0	0	0	112	D153 G253 Y258	D153-S256 WeakPolarHBondContact OD1-CB 3.44Å; D153-S256 PolarHBondContact OD1-OG 2.85Å; D153-S256 WeakPolarHBondContact OD2-CB 3.37Å; D153-S256 PolarHBondContact OD2-OG 3.27Å; G253-S256 VanDerWaalsContact O-CB 3.25Å; G253-S256 WeakPolarHBondContact O-CB 3.48Å; G253-S256 PolarHBondContact O-N 2.63Å; S256-Y258 WeakPolarHBondContact OG-CD2 3.23Å; S256-Y258 PolarHBondContact OG-N 2.88Å
257	A	91	Very high	95.9	Very high	66 Å²	66	37.5 Å²	37.5	55%	0.545	23%	0.234	S	C	.	.	S	Bend	trans	-100.9	4.5	175.9	0	0	0	0	0	113.3	R162 I259	R162-A257 WeakPolarHBondContact CD-O 3.43Å; A257-I259 VanDerWaalsContact C-N 3.34Å; A257-I259 PolarHBondContact O-N 3.1Å
258	Y	92.7	Very high	95.8	Very high	23 Å²	23	40.7 Å²	40.7	9%	0.09	24%	0.244	C	C	.	.	S	Bend	trans	-73.6	-25.6	-174.7	-83.2	-95	0	0	0	113.8	D153 I154 S155 T159 R162 T163 S256 H284	D153-Y258 VanDerWaalsContact O-CB 3.22Å; D153-Y258 WeakPolarHBondContact O-CB 3.47Å; I154-Y258 HydrophobicContact CD1-CD1 3.63Å; I154-Y258 HydrophobicContact CD1-CE1 4.26Å; S155-Y258 PolarHBondContact OG-O 3.08Å; T159-Y258 HydrophobicContact CG2-CD1 4.18Å; R162-Y258 PolarHBondContact NH1-O 3.31Å; T163-Y258 HydrophobicContact CG2-CE1 3.74Å; T163-Y258 WeakPolarHBondContact CG2-OH 3.47Å; S256-Y258 WeakPolarHBondContact OG-CD2 3.23Å; S256-Y258 PolarHBondContact OG-N 2.88Å; Y258-H284 AromaticContact CD1-CE1 3.78Å; Y258-H284 HydrophobicContact CD2-CB 4.17Å; Y258-H284 AromaticContact CD2-CE1 3.7Å; Y258-H284 AromaticContact CD2-CG 3.73Å; Y258-H284 AromaticContact CD2-ND1 3.2Å; Y258-H284 WeakPolarHBondContact CD2-ND1 3.35Å; Y258-H284 AromaticContact CE1-CE1 3.75Å; Y258-H284 HydrophobicContact CE2-CB 4.04Å; Y258-H284 AromaticContact CE2-CD2 3.88Å; Y258-H284 AromaticContact CE2-CE1 3.67Å; Y258-H284 AromaticContact CE2-CG 3.52Å; Y258-H284 AromaticContact CE2-ND1 3.38Å; Y258-H284 WeakPolarHBondContact CE2-ND1 3.3Å; Y258-H284 AromaticContact CE2-NE2 3.98Å; Y258-H284 AromaticContact CG-CE1 3.72Å; Y258-H284 AromaticContact CG-ND1 3.55Å; Y258-H284 AromaticContact CZ-CE1 3.66Å; Y258-H284 AromaticContact CZ-ND1 3.87Å; Y258-H284 AromaticContact CZ-NE2 3.77Å
259	I	94.3	Very high	95.8	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.036	26%	0.261	C	S	.	.	S	Bend	trans	-118.7	118.9	170	-54.4	177.7	0	0	0	106.9	F250 A257 Y264 I267 Y278	F250-I259 HydrophobicContact CB-CD1 4.43Å; F250-I259 HydrophobicContact CD1-CD1 4.44Å; A257-I259 VanDerWaalsContact C-N 3.34Å; A257-I259 PolarHBondContact O-N 3.1Å; I259-Y264 HydrophobicContact CG2-CE1 4.13Å; I259-I267 HydrophobicContact CG2-CD1 4.27Å; I259-Y278 HydrophobicContact CB-CE1 4.43Å; I259-Y278 WeakPolarHBondContact CG2-OH 3.42Å
260	S	91.9	Very high	95.7	Very high	29 Å²	29	45.1 Å²	45.1	20%	0.203	26%	0.261	C	S	.	.			trans	-123	162.8	177.6	68.2	0	0	0	0	110.7	R162 D262 D263 Y264	R162-S260 PolarHBondContact NH2-OG 3.35Å; S260-D262 PolarHBondContact O-N 2.93Å; S260-D262 VanDerWaalsContact O-N 3.14Å; S260-D263 PolarHBondContact N-OD2 3.29Å; S260-D263 WeakPolarHBondContact O-CB 3.46Å; S260-D263 PolarHBondContact O-N 2.91Å; S260-D263 VanDerWaalsContact OG-CG 3.31Å; S260-D263 PolarHBondContact OG-OD1 3.46Å; S260-D263 PolarHBondContact OG-OD2 3.2Å; S260-Y264 WeakPolarHBondContact O-CD1 3.39Å; S260-Y264 WeakPolarHBondContact O-CE1 3.2Å
261	S	93.3	Very high	95.7	Very high	78 Å²	78	45.1 Å²	45.1	55%	0.545	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-57.5	-27.1	176	51.6	0	0	0	0	113.4	D263 Y264	S261-D263 PolarHBondContact O-N 2.69Å; S261-Y264 WeakPolarHBondContact O-CB 3.44Å; S261-Y264 PolarHBondContact O-N 3.43Å
262	D	93.9	Very high	95.7	Very high	132 Å²	132	48.2 Å²	48.2	71%	0.706	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-69.2	-21	177.8	-62.5	-13.9	0	0	0	112	S260 P265	S260-D262 PolarHBondContact O-N 2.93Å; S260-D262 VanDerWaalsContact O-N 3.14Å; D262-P265 WeakPolarHBondContact O-CD 3.45Å
263	D	95.2	Very high	95.7	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.048	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-85.9	-15.7	179	-50.2	-37.2	0	0	0	111.7	S155 A157 R162 S260 S261 E266 I267	S155-D263 VanDerWaalsContact OG-CG 3.28Å; S155-D263 PolarHBondContact OG-OD2 2.97Å; S155-D263 VanDerWaalsContact OG-OD2 3.07Å; A157-D263 WeakPolarHBondContact CB-OD1 3.39Å; R162-D263 IonicContact CZ-OD1 3.7Å; R162-D263 IonicContact CZ-OD2 3.25Å; R162-D263 IonicContact NH1-OD1 3.56Å; R162-D263 IonicContact NH1-OD2 3.05Å; R162-D263 PolarHBondContact NH1-OD2 3.32Å; R162-D263 IonicContact NH2-OD1 3.8Å; R162-D263 PolarHBondContact NH2-OD1 3.23Å; R162-D263 IonicContact NH2-OD2 3.45Å; S260-D263 PolarHBondContact N-OD2 3.29Å; S260-D263 WeakPolarHBondContact O-CB 3.46Å; S260-D263 PolarHBondContact O-N 2.91Å; S260-D263 VanDerWaalsContact OG-CG 3.31Å; S260-D263 PolarHBondContact OG-OD1 3.46Å; S260-D263 PolarHBondContact OG-OD2 3.2Å; S261-D263 PolarHBondContact O-N 2.69Å; D263-E266 PolarHBondContact O-N 3.01Å; D263-I267 HydrophobicContact CB-CD1 4.29Å; D263-I267 WeakPolarHBondContact O-CG1 3.45Å; D263-I267 PolarHBondContact O-N 3.19Å
264	Y	96.9	Very high	95.8	Very high	72 Å²	72	54.1 Å²	54.1	28%	0.282	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-41.5	-174.6	-64.4	-4.4	0	0	0	114.3	I259 S260 S261 E266 I267 Q268 I276 Y278	I259-Y264 HydrophobicContact CG2-CE1 4.13Å; S260-Y264 WeakPolarHBondContact O-CD1 3.39Å; S260-Y264 WeakPolarHBondContact O-CE1 3.2Å; S261-Y264 WeakPolarHBondContact O-CB 3.44Å; S261-Y264 PolarHBondContact O-N 3.43Å; Y264-E266 VanDerWaalsContact C-N 3.28Å; Y264-E266 PolarHBondContact O-N 2.91Å; Y264-I267 HydrophobicContact CD1-CD1 4.4Å; Y264-I267 PolarHBondContact O-N 3.23Å; Y264-Q268 WeakPolarHBondContact O-CB 3.34Å; Y264-Q268 WeakPolarHBondContact O-CG 3.47Å; Y264-Q268 PolarHBondContact O-N 3.02Å; Y264-I276 HydrophobicContact CD1-CD1 3.62Å; Y264-I276 HydrophobicContact CE1-CD1 3.87Å; Y264-I276 HydrophobicContact CE1-CG2 4.08Å; Y264-I276 HydrophobicContact CG-CD1 4.03Å; Y264-Y278 WeakPolarHBondContact CE1-OH 3.49Å; Y264-Y278 WeakPolarHBondContact OH-CE2 3.37Å; Y264-Y278 PolarHBondContact OH-OH 2.63Å
265	P	96.6	Very high	95.9	Very high	86 Å²	86	55.1 Å²	55.1	56%	0.558	31%	0.313	S	S	*	.	H	α-helix	trans	-59.3	-39.9	177.5	-25.1	36.1	0	0	0	112.4	D262 R269	D262-P265 WeakPolarHBondContact O-CD 3.45Å; P265-R269 WeakPolarHBondContact O-CB 3.14Å; P265-R269 PolarHBondContact O-N 2.89Å
266	E	96.8	Very high	96.1	Very high	63 Å²	63	52.8 Å²	52.8	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-74.9	-37.9	179.7	-174.2	63.2	-178.2	0	0	111.8	P156 D263 Y264 Q268 R269 L270	P156-E266 HydrophobicContact CB-CG 4.43Å; P156-E266 HydrophobicContact CG-CG 3.98Å; D263-E266 PolarHBondContact O-N 3.01Å; Y264-E266 VanDerWaalsContact C-N 3.28Å; Y264-E266 PolarHBondContact O-N 2.91Å; E266-Q268 PolarHBondContact O-N 3.05Å; E266-R269 PolarHBondContact O-N 3.03Å; E266-R269 IonicContact OE1-CZ 3.42Å; E266-R269 IonicContact OE1-NE 3.35Å; E266-R269 PolarHBondContact OE1-NE 3.16Å; E266-R269 IonicContact OE1-NH2 3.69Å; E266-R269 PolarHBondContact OE1-NH2 3.45Å; E266-R269 IonicContact OE2-CZ 3.65Å; E266-R269 IonicContact OE2-NE 2.78Å; E266-R269 PolarHBondContact OE2-NE 3.06Å; E266-R269 IonicContact OE2-NH2 3.29Å; E266-L270 HydrophobicContact CG-CD1 4.18Å; E266-L270 PolarHBondContact O-N 3.32Å
267	I	98.1	Very high	96.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-50.8	170.7	-70.3	168.4	0	0	0	110.2	P156 F250 I259 D263 Y264 R269 L270 F271 A274 I276	P156-I267 HydrophobicContact CG-CG1 4.04Å; F250-I267 HydrophobicContact CD1-CD1 3.93Å; F250-I267 HydrophobicContact CD1-CG1 4.29Å; F250-I267 HydrophobicContact CD2-CG2 3.7Å; F250-I267 HydrophobicContact CE1-CD1 4.04Å; F250-I267 HydrophobicContact CE1-CG1 3.9Å; F250-I267 HydrophobicContact CE1-CG2 4.31Å; F250-I267 HydrophobicContact CE2-CG2 3.44Å; F250-I267 VanDerWaalsContact CE2-CG2 3.44Å; F250-I267 HydrophobicContact CG-CD1 4.35Å; F250-I267 HydrophobicContact CG-CG2 4.24Å; F250-I267 HydrophobicContact CZ-CB 4.42Å; F250-I267 HydrophobicContact CZ-CG1 4.03Å; F250-I267 HydrophobicContact CZ-CG2 3.78Å; I259-I267 HydrophobicContact CG2-CD1 4.27Å; D263-I267 HydrophobicContact CB-CD1 4.29Å; D263-I267 WeakPolarHBondContact O-CG1 3.45Å; D263-I267 PolarHBondContact O-N 3.19Å; Y264-I267 HydrophobicContact CD1-CD1 4.4Å; Y264-I267 PolarHBondContact O-N 3.23Å; I267-R269 VanDerWaalsContact C-N 3.32Å; I267-R269 PolarHBondContact O-N 2.92Å; I267-L270 PolarHBondContact O-N 3.44Å; I267-F271 CarbonylContact O-C 3.55Å; I267-F271 WeakPolarHBondContact O-CA 3.24Å; I267-F271 WeakPolarHBondContact O-CB 3.31Å; I267-F271 PolarHBondContact O-N 2.94Å; I267-A274 HydrophobicContact CG2-CB 3.83Å; I267-I276 HydrophobicContact CD1-CD1 4.24Å; I267-I276 HydrophobicContact CG2-CD1 4.07Å
268	Q	97.8	Very high	96.7	Very high	122 Å²	122	56 Å²	56	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-67.2	-32.5	-179.2	-71.9	179.2	-2.9	0	0	112.8	Y264 E266 P272	Y264-Q268 WeakPolarHBondContact O-CB 3.34Å; Y264-Q268 WeakPolarHBondContact O-CG 3.47Å; Y264-Q268 PolarHBondContact O-N 3.02Å; E266-Q268 PolarHBondContact O-N 3.05Å; Q268-P272 WeakPolarHBondContact O-CA 3.48Å
269	R	97.7	Very high	97	Very high	95 Å²	95	55.1 Å²	55.1	36%	0.358	29%	0.289	S	S	.	.	H	α-helix	trans	-63.9	-45.1	175.7	-170.5	-170.8	71.1	77.4	-6.6	111.6	L240 P265 E266 I267	L240-R269 PolarHBondContact O-NH1 3.31Å; L240-R269 PolarHBondContact O-NH2 2.82Å; P265-R269 WeakPolarHBondContact O-CB 3.14Å; P265-R269 PolarHBondContact O-N 2.89Å; E266-R269 PolarHBondContact O-N 3.03Å; E266-R269 IonicContact OE1-CZ 3.42Å; E266-R269 IonicContact OE1-NE 3.35Å; E266-R269 PolarHBondContact OE1-NE 3.16Å; E266-R269 IonicContact OE1-NH2 3.69Å; E266-R269 PolarHBondContact OE1-NH2 3.45Å; E266-R269 IonicContact OE2-CZ 3.65Å; E266-R269 IonicContact OE2-NE 2.78Å; E266-R269 PolarHBondContact OE2-NE 3.06Å; E266-R269 IonicContact OE2-NH2 3.29Å; I267-R269 VanDerWaalsContact C-N 3.32Å; I267-R269 PolarHBondContact O-N 2.92Å
270	L	98.4	Very high	97.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-85.9	-31	-176.6	-70.5	174	0	0	0	113.1	L140 P156 F237 L240 S242 Y244 E266 I267	L140-L270 HydrophobicContact CD1-CD1 4.3Å; L140-L270 HydrophobicContact CD1-CD2 4.12Å; L140-L270 HydrophobicContact CD2-CB 4.29Å; L140-L270 HydrophobicContact CD2-CD2 4.09Å; P156-L270 HydrophobicContact CB-CD1 3.67Å; P156-L270 HydrophobicContact CG-CD1 3.92Å; F237-L270 HydrophobicContact CE1-CD1 3.88Å; L240-L270 WeakPolarHBondContact O-CD2 3.49Å; S242-L270 VanDerWaalsContact O-CD2 3.28Å; S242-L270 WeakPolarHBondContact O-CD2 3.37Å; Y244-L270 PolarHBondContact N-O 3.35Å; E266-L270 HydrophobicContact CG-CD1 4.18Å; E266-L270 PolarHBondContact O-N 3.32Å; I267-L270 PolarHBondContact O-N 3.44Å
271	F	98.6	Very high	97.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.335	C	S	.	.			trans	-134.5	72.7	-172.9	-51.5	-79.6	0	0	0	109.9	M136 L140 L149 P156 Y244 T248 F250 I267 N273 A274	M136-F271 HydrophobicContact CB-CE2 4.37Å; M136-F271 HydrophobicContact CB-CZ 3.68Å; M136-F271 HydrophobicContact CG-CE1 4.33Å; M136-F271 HydrophobicContact CG-CE2 3.92Å; M136-F271 HydrophobicContact CG-CZ 3.54Å; M136-F271 HydrophobicContact SD-CE2 3.68Å; M136-F271 HydrophobicContact SD-CZ 3.95Å; L140-F271 HydrophobicContact CD1-CE1 4.41Å; L140-F271 HydrophobicContact CD1-CE2 4.43Å; L140-F271 HydrophobicContact CD1-CZ 3.74Å; L140-F271 HydrophobicContact CD2-CE1 4.12Å; L140-F271 HydrophobicContact CD2-CZ 4.17Å; L140-F271 HydrophobicContact CG-CE1 4Å; L140-F271 HydrophobicContact CG-CZ 3.84Å; L149-F271 HydrophobicContact CD2-CD1 4.01Å; L149-F271 HydrophobicContact CD2-CE1 3.64Å; L149-F271 HydrophobicContact CD2-CZ 4.34Å; P156-F271 HydrophobicContact CG-CE2 4.46Å; Y244-F271 AromaticContact CD1-CD1 3.98Å; Y244-F271 HydrophobicContact CD1-CD1 3.98Å; Y244-F271 HydrophobicContact CD1-CE1 4.34Å; Y244-F271 HydrophobicContact CG-CD1 4.39Å; Y244-F271 HydrophobicContact CG-CE1 4.5Å; T248-F271 HydrophobicContact CG2-CB 4.26Å; T248-F271 HydrophobicContact CG2-CD1 4.28Å; T248-F271 HydrophobicContact CG2-CG 4.34Å; F250-F271 HydrophobicContact CE2-CB 4.13Å; F250-F271 AromaticContact CE2-CD2 3.89Å; F250-F271 HydrophobicContact CE2-CD2 3.89Å; F250-F271 HydrophobicContact CE2-CG 4.06Å; F250-F271 AromaticContact CZ-CD2 3.61Å; F250-F271 HydrophobicContact CZ-CD2 3.61Å; F250-F271 AromaticContact CZ-CE2 3.96Å; F250-F271 HydrophobicContact CZ-CE2 3.96Å; F250-F271 HydrophobicContact CZ-CG 4.2Å; I267-F271 CarbonylContact O-C 3.55Å; I267-F271 WeakPolarHBondContact O-CA 3.24Å; I267-F271 WeakPolarHBondContact O-CB 3.31Å; I267-F271 PolarHBondContact O-N 2.94Å; F271-N273 PolarHBondContact O-N 3.35Å; F271-N273 VanDerWaalsContact O-N 3.11Å; F271-A274 HydrophobicContact CB-CB 3.96Å; F271-A274 WeakPolarHBondContact O-CB 3.5Å; F271-A274 PolarHBondContact O-N 2.96Å
272	P	98.4	Very high	97.4	Very high	64 Å²	64	59.6 Å²	59.6	42%	0.416	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-22.2	-173.7	23.6	-35.6	0	0	0	114.1	V243 E245 Q268 A274	V243-P272 HydrophobicContact CG1-CG 3.66Å; E245-P272 HydrophobicContact CG-CG 4.42Å; Q268-P272 WeakPolarHBondContact O-CA 3.48Å; P272-A274 VanDerWaalsContact C-N 3.34Å
273	N	98.4	Very high	97.4	Very high	97 Å²	97	54.9 Å²	54.9	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	26.5	175.7	-65.5	-34.5	0	0	0	112.5	E245 T248 F271	E245-N273 PolarHBondContact O-ND2 2.8Å; T248-N273 PolarHBondContact N-O 2.89Å; F271-N273 PolarHBondContact O-N 3.35Å; F271-N273 VanDerWaalsContact O-N 3.11Å
274	A	98.5	Very high	97.3	Very high	27 Å²	27	55 Å²	55	22%	0.223	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	127.2	175.9	0	0	0	0	0	112.1	T248 F250 I267 F271 P272	T248-A274 HydrophobicContact CG2-CB 4.38Å; T248-A274 CarbonylContact O-C 3.52Å; T248-A274 VanDerWaalsContact O-CA 3.31Å; T248-A274 WeakPolarHBondContact O-CA 3.39Å; F250-A274 HydrophobicContact CD2-CB 3.81Å; F250-A274 HydrophobicContact CE2-CB 3.91Å; I267-A274 HydrophobicContact CG2-CB 3.83Å; F271-A274 HydrophobicContact CB-CB 3.96Å; F271-A274 WeakPolarHBondContact O-CB 3.5Å; F271-A274 PolarHBondContact O-N 2.96Å; P272-A274 VanDerWaalsContact C-N 3.34Å
275	D	98.3	Very high	97.1	Very high	79 Å²	79	54.9 Å²	54.9	42%	0.422	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	136.3	158.7	-171.1	11	0	0	0	109.3	T248 L249 F250 Q277	T248-D275 PolarHBondContact O-N 3.49Å; L249-D275 CarbonylContact C-O 3.58Å; L249-D275 WeakPolarHBondContact CA-O 3.21Å; L249-D275 HydrophobicContact CD1-CB 4.34Å; F250-D275 PolarHBondContact N-O 3.47Å; D275-Q277 PolarHBondContact OD2-NE2 2.79Å
276	I	98.4	Very high	97	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.195	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	111.5	-178.4	-51.3	179.7	0	0	0	108.3	F250 Y264 I267 Y278	F250-I276 HydrophobicContact CB-CB 4.48Å; F250-I276 HydrophobicContact CB-CG1 4.19Å; F250-I276 HydrophobicContact CB-CG2 4.29Å; F250-I276 WeakPolarHBondContact O-CA 3.39Å; Y264-I276 HydrophobicContact CD1-CD1 3.62Å; Y264-I276 HydrophobicContact CE1-CD1 3.87Å; Y264-I276 HydrophobicContact CE1-CG2 4.08Å; Y264-I276 HydrophobicContact CG-CD1 4.03Å; I267-I276 HydrophobicContact CD1-CD1 4.24Å; I267-I276 HydrophobicContact CG2-CD1 4.07Å; I276-Y278 HydrophobicContact CG2-CE2 3.88Å
277	Q	98.2	Very high	96.9	Very high	70 Å²	70	48.7 Å²	48.7	33%	0.327	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	154.5	-177.4	-60.1	-176	13	0	0	111.2	L249 F250 L251 G252 D275	L249-Q277 HydrophobicContact CD1-CB 4.09Å; L249-Q277 HydrophobicContact CD1-CG 3.75Å; F250-Q277 PolarHBondContact O-N 3.24Å; L251-Q277 WeakPolarHBondContact CA-O 3.27Å; L251-Q277 HydrophobicContact CD1-CB 3.93Å; G252-Q277 PolarHBondContact N-O 2.84Å; D275-Q277 PolarHBondContact OD2-NE2 2.79Å
278	Y	98.3	Very high	96.6	Very high	84 Å²	84	51.9 Å²	51.9	33%	0.329	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	135.4	177.2	-65	-91.7	0	0	0	111.2	G252 I259 Y264 I276	G252-Y278 CarbonylContact O-C 3.53Å; G252-Y278 VanDerWaalsContact O-CA 3.23Å; G252-Y278 WeakPolarHBondContact O-CA 3.09Å; I259-Y278 HydrophobicContact CB-CE1 4.43Å; I259-Y278 WeakPolarHBondContact CG2-OH 3.42Å; Y264-Y278 WeakPolarHBondContact CE1-OH 3.49Å; Y264-Y278 WeakPolarHBondContact OH-CE2 3.37Å; Y264-Y278 PolarHBondContact OH-OH 2.63Å; I276-Y278 HydrophobicContact CG2-CE2 3.88Å
279	I	98.3	Very high	96.4	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	120.9	172.3	-70.1	171.4	0	0	0	109	L251 G252 A254 A282 I286 K290 D293 F294	L251-I279 HydrophobicContact CD1-CD1 4Å; L251-I279 HydrophobicContact CD1-CG1 3.96Å; L251-I279 HydrophobicContact CD2-CD1 3.88Å; L251-I279 HydrophobicContact CG-CD1 4.06Å; L251-I279 HydrophobicContact CG-CG1 4.46Å; G252-I279 PolarHBondContact O-N 3.03Å; A254-I279 WeakPolarHBondContact CB-O 3.44Å; A254-I279 PolarHBondContact N-O 2.73Å; I279-A282 HydrophobicContact CB-CB 4.05Å; I279-A282 HydrophobicContact CG2-CB 3.82Å; I279-A282 PolarHBondContact O-N 3.34Å; I279-I286 HydrophobicContact CB-CG2 4.32Å; I279-I286 HydrophobicContact CD1-CG2 3.42Å; I279-I286 VanDerWaalsContact CD1-CG2 3.42Å; I279-I286 HydrophobicContact CG1-CG2 4.36Å; I279-K290 HydrophobicContact CG2-CB 3.73Å; I279-K290 HydrophobicContact CG2-CG 3.76Å; I279-D293 HydrophobicContact CD1-CB 4.14Å; I279-D293 HydrophobicContact CG1-CB 4.41Å; I279-D293 HydrophobicContact CG2-CB 3.97Å; I279-F294 HydrophobicContact CD1-CB 4.33Å
280	P	97.6	Very high	96.4	Very high	87 Å²	87	47.7 Å²	47.7	57%	0.565	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	141.7	177.6	-25.7	35.2	0	0	0	112.8	A282 K290	P280-A282 PolarHBondContact O-N 2.98Å; P280-K290 VanDerWaalsContact O-CE 3.32Å; P280-K290 WeakPolarHBondContact O-CE 3.49Å
281	D	95.5	Very high	96.4	Very high	121 Å²	121	50.2 Å²	50.2	65%	0.647	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	14.4	178.9	-40.2	-48.2	0	0	0	115.6	K290	D281-K290 IonicContact OD2-NZ 2.65Å
282	A	96.1	Very high	96.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.309	C	S	.	.			trans	-88.7	136.9	172.3	0	0	0	0	0	110.6	G253 A254 S255 I279 P280 I286 K290	G253-A282 CarbonylContact C-O 3.6Å; G253-A282 VanDerWaalsContact C-O 3.24Å; G253-A282 VanDerWaalsContact CA-O 3.26Å; G253-A282 WeakPolarHBondContact CA-O 3.27Å; A254-A282 PolarHBondContact N-O 3.12Å; S255-A282 WeakPolarHBondContact CB-O 3.32Å; S255-A282 PolarHBondContact N-O 3.01Å; I279-A282 HydrophobicContact CB-CB 4.05Å; I279-A282 HydrophobicContact CG2-CB 3.82Å; I279-A282 PolarHBondContact O-N 3.34Å; P280-A282 PolarHBondContact O-N 2.98Å; A282-I286 HydrophobicContact CB-CB 4.47Å; A282-I286 HydrophobicContact CB-CG1 4.21Å; A282-I286 HydrophobicContact CB-CG2 4.34Å; A282-K290 HydrophobicContact CB-CG 3.88Å
283	S	93.4	Very high	96.3	Very high	34 Å²	34	56.9 Å²	56.9	24%	0.238	31%	0.31	C	S	.	.			trans	-82.8	-162.1	168	79.4	0	0	0	0	110.9	W285 I286 D289	S283-W285 PolarHBondContact O-N 2.79Å; S283-W285 PolarHBondContact OG-N 2.95Å; S283-I286 WeakPolarHBondContact O-CG1 3.28Å; S283-D289 WeakPolarHBondContact CA-OD2 3.44Å; S283-D289 WeakPolarHBondContact CB-OD2 3.16Å; S283-D289 PolarHBondContact N-OD2 3.23Å; S283-D289 PolarHBondContact OG-OD2 3.23Å
284	H	92.8	Very high	96.3	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.051	29%	0.285	C	S	.	.	S	Bend	trans	-60.1	-24.1	172.5	-174.4	60.3	0	0	0	113.8	H128 S129 D153 Y258 I286	H128-H284 AromaticContact CE1-CD2 3.97Å; H128-H284 AromaticContact CE1-NE2 3.72Å; H128-H284 AromaticContact NE2-CD2 3.77Å; H128-H284 AromaticContact NE2-CE1 3.65Å; H128-H284 AromaticContact NE2-ND1 3.97Å; H128-H284 AromaticContact NE2-NE2 3.51Å; H128-H284 PolarHBondContact NE2-O 3.11Å; S129-H284 WeakPolarHBondContact CB-NE2 3.32Å; S129-H284 PolarHBondContact OG-NE2 3.39Å; D153-H284 PolarHBondContact O-CE1 2.79Å; D153-H284 PolarHBondContact O-ND1 3.32Å; D153-H284 WeakPolarHBondContact OD2-CA 3.24Å; D153-H284 IonicContact OD2-CE1 3.93Å; D153-H284 IonicContact OD2-CG 3.32Å; D153-H284 IonicContact OD2-ND1 3.51Å; D153-H284 PolarHBondContact OD2-ND1 3.48Å; Y258-H284 AromaticContact CD1-CE1 3.78Å; Y258-H284 HydrophobicContact CD2-CB 4.17Å; Y258-H284 AromaticContact CD2-CE1 3.7Å; Y258-H284 AromaticContact CD2-CG 3.73Å; Y258-H284 AromaticContact CD2-ND1 3.2Å; Y258-H284 WeakPolarHBondContact CD2-ND1 3.35Å; Y258-H284 AromaticContact CE1-CE1 3.75Å; Y258-H284 HydrophobicContact CE2-CB 4.04Å; Y258-H284 AromaticContact CE2-CD2 3.88Å; Y258-H284 AromaticContact CE2-CE1 3.67Å; Y258-H284 AromaticContact CE2-CG 3.52Å; Y258-H284 AromaticContact CE2-ND1 3.38Å; Y258-H284 WeakPolarHBondContact CE2-ND1 3.3Å; Y258-H284 AromaticContact CE2-NE2 3.98Å; Y258-H284 AromaticContact CG-CE1 3.72Å; Y258-H284 AromaticContact CG-ND1 3.55Å; Y258-H284 AromaticContact CZ-CE1 3.66Å; Y258-H284 AromaticContact CZ-ND1 3.87Å; Y258-H284 AromaticContact CZ-NE2 3.77Å; H284-I286 PolarHBondContact O-N 3.01Å
285	W	92.4	Very high	96.3	Very high	69 Å²	69	51.2 Å²	51.2	26%	0.261	28%	0.276	S	S	.	.			trans	-97	56.5	178.8	-63.4	-90.7	0	0	0	111.6	V203 S283 H287 A288 D289	V203-W285 HydrophobicContact CG2-CH2 3.85Å; V203-W285 HydrophobicContact CG2-CZ2 4.42Å; S283-W285 PolarHBondContact O-N 2.79Å; S283-W285 PolarHBondContact OG-N 2.95Å; W285-H287 PolarHBondContact O-N 2.86Å; W285-H287 VanDerWaalsContact O-N 3.1Å; W285-A288 HydrophobicContact CB-CB 4.03Å; W285-A288 WeakPolarHBondContact O-CA 3.42Å; W285-A288 WeakPolarHBondContact O-CB 3.4Å; W285-A288 PolarHBondContact O-N 3.21Å; W285-D289 PolarHBondContact O-N 2.98Å
286	I	95.3	Very high	96.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-46.8	-45.7	-177.7	-56	179.3	0	0	0	112.6	V152 D153 L251 G253 I279 A282 S283 H284 A288 D289 K290 F294	V152-I286 HydrophobicContact CG1-CB 4.42Å; V152-I286 HydrophobicContact CG1-CD1 3.94Å; D153-I286 HydrophobicContact CB-CD1 3.86Å; D153-I286 HydrophobicContact CB-CG1 4.3Å; L251-I286 HydrophobicContact CG-CD1 4.5Å; L251-I286 WeakPolarHBondContact O-CD1 3.37Å; G253-I286 VanDerWaalsContact N-CD1 3.29Å; I279-I286 HydrophobicContact CB-CG2 4.32Å; I279-I286 HydrophobicContact CD1-CG2 3.42Å; I279-I286 VanDerWaalsContact CD1-CG2 3.42Å; I279-I286 HydrophobicContact CG1-CG2 4.36Å; A282-I286 HydrophobicContact CB-CB 4.47Å; A282-I286 HydrophobicContact CB-CG1 4.21Å; A282-I286 HydrophobicContact CB-CG2 4.34Å; S283-I286 WeakPolarHBondContact O-CG1 3.28Å; H284-I286 PolarHBondContact O-N 3.01Å; I286-A288 PolarHBondContact O-N 3.26Å; I286-D289 PolarHBondContact O-N 3.4Å; I286-K290 CarbonylContact O-C 3.52Å; I286-K290 PolarHBondContact O-N 2.94Å; I286-F294 HydrophobicContact CG2-CB 4.18Å; I286-F294 HydrophobicContact CG2-CD2 3.89Å; I286-F294 HydrophobicContact CG2-CG 4.36Å
287	H	93.9	Very high	96.4	Very high	19 Å²	19	48.9 Å²	48.9	9%	0.088	27%	0.269	C	S	.	.	H	α-helix	trans	-67.5	-21.3	-178.5	58.4	-87.1	0	0	0	113.7	F70 H128 W285 F294	F70-H287 HydrophobicContact CE1-CB 4.38Å; F70-H287 AromaticContact CE1-CG 3.93Å; H128-H287 AromaticContact CE1-CE1 3.86Å; H128-H287 AromaticContact CG-CE1 3.99Å; H128-H287 AromaticContact ND1-CE1 3.65Å; W285-H287 PolarHBondContact O-N 2.86Å; W285-H287 VanDerWaalsContact O-N 3.1Å; H287-F294 HydrophobicContact CB-CD1 3.67Å; H287-F294 HydrophobicContact CB-CE1 3.7Å; H287-F294 HydrophobicContact CB-CG 4.21Å; H287-F294 HydrophobicContact CB-CZ 4.27Å
288	A	92.8	Very high	96.4	Very high	67 Å²	67	45.6 Å²	45.6	55%	0.554	25%	0.253	S	S	*	.	H	α-helix	trans	-92.2	-41.6	174.6	0	0	0	0	0	111.9	W285 I286	W285-A288 HydrophobicContact CB-CB 4.03Å; W285-A288 WeakPolarHBondContact O-CA 3.42Å; W285-A288 WeakPolarHBondContact O-CB 3.4Å; W285-A288 PolarHBondContact O-N 3.21Å; I286-A288 PolarHBondContact O-N 3.26Å
289	D	93.8	Very high	96.4	Very high	73 Å²	73	42.2 Å²	42.2	39%	0.39	24%	0.241	S	C	.	.	H	α-helix	trans	-74.1	-42.9	-176.5	-64.8	-19.6	0	0	0	112.3	S283 W285 I286	S283-D289 WeakPolarHBondContact CA-OD2 3.44Å; S283-D289 WeakPolarHBondContact CB-OD2 3.16Å; S283-D289 PolarHBondContact N-OD2 3.23Å; S283-D289 PolarHBondContact OG-OD2 3.23Å; W285-D289 PolarHBondContact O-N 2.98Å; I286-D289 PolarHBondContact O-N 3.4Å
290	K	97.4	Very high	96.4	Very high	57 Å²	57	45.7 Å²	45.7	25%	0.248	27%	0.265	C	S	.	.			trans	-135	59.3	-170.8	-58.7	-67.1	-174.7	163.1	0	111.1	I279 P280 D281 A282 I286 L292 D293 F294	I279-K290 HydrophobicContact CG2-CB 3.73Å; I279-K290 HydrophobicContact CG2-CG 3.76Å; P280-K290 VanDerWaalsContact O-CE 3.32Å; P280-K290 WeakPolarHBondContact O-CE 3.49Å; D281-K290 IonicContact OD2-NZ 2.65Å; A282-K290 HydrophobicContact CB-CG 3.88Å; I286-K290 CarbonylContact O-C 3.52Å; I286-K290 PolarHBondContact O-N 2.94Å; K290-L292 VanDerWaalsContact C-N 3.29Å; K290-L292 PolarHBondContact O-N 3.32Å; K290-D293 HydrophobicContact CB-CB 4.19Å; K290-D293 PolarHBondContact O-N 3.43Å; K290-F294 WeakPolarHBondContact O-CB 3.33Å; K290-F294 PolarHBondContact O-N 2.92Å
291	P	97.3	Very high	96.4	Very high	52 Å²	52	42.2 Å²	42.2	34%	0.338	24%	0.242	S	C	.	.	H	α-helix	trans	-59.5	-36.7	-172.3	22.6	-34.1	0	0	0	113.4	I73 I295	I73-P291 HydrophobicContact CD1-CB 3.84Å; P291-I295 WeakPolarHBondContact O-CB 3.32Å; P291-I295 VanDerWaalsContact O-CD1 3.29Å; P291-I295 WeakPolarHBondContact O-CD1 3.38Å; P291-I295 WeakPolarHBondContact O-CG1 3.31Å; P291-I295 PolarHBondContact O-N 2.96Å
292	L	98.1	Very high	96.5	Very high	124 Å²	124	37.2 Å²	37.2	65%	0.649	22%	0.215	S	C	*	.	H	α-helix	trans	-71.4	-41.3	-179	-62.9	-179.2	0	0	0	112.5	K290 S296	K290-L292 VanDerWaalsContact C-N 3.29Å; K290-L292 PolarHBondContact O-N 3.32Å; L292-S296 WeakPolarHBondContact O-CB 3.32Å; L292-S296 PolarHBondContact O-N 3.45Å; L292-S296 PolarHBondContact O-OG 3.07Å
293	D	98.4	Very high	96.3	Very high	81 Å²	81	44.6 Å²	44.6	43%	0.433	25%	0.249	S	C	.	.	H	α-helix	trans	-67.6	-43.8	176.5	-59.3	-42.6	0	0	0	109.9	I279 K290 I295 S296 S297	I279-D293 HydrophobicContact CD1-CB 4.14Å; I279-D293 HydrophobicContact CG1-CB 4.41Å; I279-D293 HydrophobicContact CG2-CB 3.97Å; K290-D293 HydrophobicContact CB-CB 4.19Å; K290-D293 PolarHBondContact O-N 3.43Å; D293-I295 PolarHBondContact O-N 2.89Å; D293-S296 PolarHBondContact O-N 3.45Å; D293-S296 VanDerWaalsContact O-N 3.09Å; D293-S297 PolarHBondContact O-N 3.17Å; D293-S297 PolarHBondContact O-OG 3.11Å
294	F	98.6	Very high	96.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-54.8	-50.6	174.6	-178.7	-117.7	0	0	0	112.5	F59 I73 I126 V152 L251 I279 I286 H287 K290 S296 S297 I298	F59-F294 HydrophobicContact CE1-CE1 4.13Å; F59-F294 HydrophobicContact CE1-CZ 4.27Å; I73-F294 HydrophobicContact CD1-CD1 4.29Å; I73-F294 HydrophobicContact CG2-CD1 4.22Å; I73-F294 HydrophobicContact CG2-CE1 4.05Å; I126-F294 HydrophobicContact CG2-CZ 4.3Å; V152-F294 HydrophobicContact CB-CE2 4.36Å; V152-F294 HydrophobicContact CG1-CD2 4.48Å; V152-F294 HydrophobicContact CG1-CE2 3.69Å; V152-F294 HydrophobicContact CG1-CZ 4.29Å; V152-F294 HydrophobicContact CG2-CE2 3.67Å; V152-F294 HydrophobicContact CG2-CZ 3.95Å; L251-F294 HydrophobicContact CD2-CD2 3.67Å; L251-F294 HydrophobicContact CD2-CE2 3.99Å; I279-F294 HydrophobicContact CD1-CB 4.33Å; I286-F294 HydrophobicContact CG2-CB 4.18Å; I286-F294 HydrophobicContact CG2-CD2 3.89Å; I286-F294 HydrophobicContact CG2-CG 4.36Å; H287-F294 HydrophobicContact CB-CD1 3.67Å; H287-F294 HydrophobicContact CB-CE1 3.7Å; H287-F294 HydrophobicContact CB-CG 4.21Å; H287-F294 HydrophobicContact CB-CZ 4.27Å; K290-F294 WeakPolarHBondContact O-CB 3.33Å; K290-F294 PolarHBondContact O-N 2.92Å; F294-S296 VanDerWaalsContact C-N 3.3Å; F294-S296 PolarHBondContact O-N 3.43Å; F294-S297 PolarHBondContact O-N 2.71Å; F294-I298 HydrophobicContact CD1-CD1 4.09Å; F294-I298 HydrophobicContact CD2-CD1 4.35Å; F294-I298 HydrophobicContact CE1-CD1 3.64Å; F294-I298 HydrophobicContact CE2-CD1 3.9Å; F294-I298 HydrophobicContact CG-CD1 4.43Å; F294-I298 HydrophobicContact CZ-CD1 3.54Å; F294-I298 WeakPolarHBondContact O-CG1 3.27Å; F294-I298 PolarHBondContact O-N 3.06Å; F294-I298 VanDerWaalsContact O-N 3.13Å
295	I	98.6	Very high	96.3	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-41.7	176.7	-69.9	160.7	0	0	0	110.8	I73 L77 P291 D293 I298 I299	I73-I295 HydrophobicContact CD1-CD1 3.71Å; I73-I295 HydrophobicContact CD1-CG1 3.91Å; I73-I295 HydrophobicContact CG2-CG1 3.97Å; L77-I295 HydrophobicContact CD2-CG2 3.96Å; L77-I295 HydrophobicContact CG-CG2 4.46Å; P291-I295 WeakPolarHBondContact O-CB 3.32Å; P291-I295 VanDerWaalsContact O-CD1 3.29Å; P291-I295 WeakPolarHBondContact O-CD1 3.38Å; P291-I295 WeakPolarHBondContact O-CG1 3.31Å; P291-I295 PolarHBondContact O-N 2.96Å; D293-I295 PolarHBondContact O-N 2.89Å; I295-I298 PolarHBondContact O-N 2.97Å; I295-I299 HydrophobicContact CG2-CD1 3.65Å; I295-I299 HydrophobicContact CG2-CG1 4.34Å; I295-I299 VanDerWaalsContact O-CG1 3.31Å; I295-I299 WeakPolarHBondContact O-CG1 3.43Å; I295-I299 PolarHBondContact O-N 3.48Å
296	S	98.4	Very high	96.5	Very high	48 Å²	48	49.4 Å²	49.4	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-69.2	-39.5	-176.4	-58.9	0	0	0	0	112	R80 L292 D293 F294 I299 S300	R80-S296 PolarHBondContact NH1-OG 2.75Å; L292-S296 WeakPolarHBondContact O-CB 3.32Å; L292-S296 PolarHBondContact O-N 3.45Å; L292-S296 PolarHBondContact O-OG 3.07Å; D293-S296 PolarHBondContact O-N 3.45Å; D293-S296 VanDerWaalsContact O-N 3.09Å; F294-S296 VanDerWaalsContact C-N 3.3Å; F294-S296 PolarHBondContact O-N 3.43Å; S296-I299 PolarHBondContact O-N 3.21Å; S296-S300 WeakPolarHBondContact O-CB 3.31Å; S296-S300 PolarHBondContact O-N 3.06Å
297	S	98.6	Very high	96.5	Very high	20 Å²	20	52.2 Å²	52.2	14%	0.14	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-45.2	171.6	-65.7	0	0	0	0	111.8	D293 F294 S300 F301	D293-S297 PolarHBondContact O-N 3.17Å; D293-S297 PolarHBondContact O-OG 3.11Å; F294-S297 PolarHBondContact O-N 2.71Å; S297-S300 PolarHBondContact O-N 2.73Å; S297-F301 WeakPolarHBondContact O-CB 3.12Å; S297-F301 PolarHBondContact O-N 2.93Å
298	I	98.4	Very high	96.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60	-49.7	175.8	-68.9	167.8	0	0	0	110.4	F59 L77 I126 F294 I295 S300 F301 L302	F59-I298 HydrophobicContact CE1-CD1 4.41Å; F59-I298 HydrophobicContact CZ-CD1 4.11Å; L77-I298 HydrophobicContact CD2-CG2 4.04Å; I126-I298 HydrophobicContact CG2-CD1 4.34Å; F294-I298 HydrophobicContact CD1-CD1 4.09Å; F294-I298 HydrophobicContact CD2-CD1 4.35Å; F294-I298 HydrophobicContact CE1-CD1 3.64Å; F294-I298 HydrophobicContact CE2-CD1 3.9Å; F294-I298 HydrophobicContact CG-CD1 4.43Å; F294-I298 HydrophobicContact CZ-CD1 3.54Å; F294-I298 WeakPolarHBondContact O-CG1 3.27Å; F294-I298 PolarHBondContact O-N 3.06Å; F294-I298 VanDerWaalsContact O-N 3.13Å; I295-I298 PolarHBondContact O-N 2.97Å; I298-S300 VanDerWaalsContact C-N 3.34Å; I298-S300 PolarHBondContact O-N 3.05Å; I298-F301 PolarHBondContact O-N 2.88Å; I298-L302 HydrophobicContact CG2-CD1 3.87Å; I298-L302 HydrophobicContact CG2-CG 4.22Å; I298-L302 VanDerWaalsContact O-CG 3.26Å; I298-L302 WeakPolarHBondContact O-CG 3.45Å; I298-L302 PolarHBondContact O-N 2.66Å
299	I	98.2	Very high	96.9	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.067	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-43.2	-178.1	-70.2	171.2	0	0	0	111.4	L77 R80 T81 I295 S296 F301 L302 Q303	L77-I299 HydrophobicContact CD2-CD1 4.23Å; L77-I299 HydrophobicContact CD2-CG1 3.87Å; R80-I299 HydrophobicContact CB-CD1 3.76Å; R80-I299 HydrophobicContact CG-CD1 4.42Å; T81-I299 HydrophobicContact CG2-CD1 4.13Å; T81-I299 HydrophobicContact CG2-CG1 3.76Å; I295-I299 HydrophobicContact CG2-CD1 3.65Å; I295-I299 HydrophobicContact CG2-CG1 4.34Å; I295-I299 VanDerWaalsContact O-CG1 3.31Å; I295-I299 WeakPolarHBondContact O-CG1 3.43Å; I295-I299 PolarHBondContact O-N 3.48Å; S296-I299 PolarHBondContact O-N 3.21Å; I299-F301 VanDerWaalsContact C-N 3.31Å; I299-F301 PolarHBondContact O-N 3.24Å; I299-L302 PolarHBondContact O-N 2.88Å; I299-Q303 VanDerWaalsContact O-CG 3.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.38Å; I299-Q303 PolarHBondContact O-N 3.11Å
300	S	98.3	Very high	97.1	Very high	78 Å²	78	52 Å²	52	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-59.4	-43.7	177.3	-170.2	0	0	0	0	111.3	S296 S297 I298 Q303 S304	S296-S300 WeakPolarHBondContact O-CB 3.31Å; S296-S300 PolarHBondContact O-N 3.06Å; S297-S300 PolarHBondContact O-N 2.73Å; I298-S300 VanDerWaalsContact C-N 3.34Å; I298-S300 PolarHBondContact O-N 3.05Å; S300-Q303 PolarHBondContact O-N 2.81Å; S300-S304 PolarHBondContact O-N 3.33Å
301	F	98.4	Very high	97.1	Very high	15 Å²	15	51.6 Å²	51.6	7%	0.066	30%	0.301	C	S	.	.	H	α-helix	trans	-69.4	-32.4	178.3	176	-113.2	0	0	0	113.4	R148 V150 P247 L249 S297 I298 I299 Q303 S304	R148-F301 HydrophobicContact CB-CE1 3.74Å; R148-F301 HydrophobicContact CB-CZ 4.06Å; R148-F301 HydrophobicContact CG-CE1 4.39Å; R148-F301 HydrophobicContact CG-CZ 4.47Å; V150-F301 HydrophobicContact CG2-CD1 3.57Å; V150-F301 HydrophobicContact CG2-CE1 3.6Å; P247-F301 HydrophobicContact CB-CE2 4.1Å; P247-F301 HydrophobicContact CB-CZ 4Å; L249-F301 HydrophobicContact CB-CD1 4.02Å; L249-F301 HydrophobicContact CB-CD2 3.87Å; L249-F301 HydrophobicContact CB-CE1 4Å; L249-F301 HydrophobicContact CB-CE2 3.87Å; L249-F301 HydrophobicContact CB-CG 3.93Å; L249-F301 HydrophobicContact CB-CZ 3.93Å; L249-F301 HydrophobicContact CD2-CB 3.93Å; L249-F301 HydrophobicContact CD2-CD1 4.4Å; L249-F301 HydrophobicContact CD2-CG 4.07Å; S297-F301 WeakPolarHBondContact O-CB 3.12Å; S297-F301 PolarHBondContact O-N 2.93Å; I298-F301 PolarHBondContact O-N 2.88Å; I299-F301 VanDerWaalsContact C-N 3.31Å; I299-F301 PolarHBondContact O-N 3.24Å; F301-Q303 PolarHBondContact O-N 3.09Å; F301-S304 PolarHBondContact O-N 3.09Å; F301-S304 PolarHBondContact O-OG 3.35Å
302	L	96.5	Very high	97.1	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-67.6	-19.3	173.1	-69.7	175.7	0	0	0	113.1	L57 V124 I298 I299	L57-L302 HydrophobicContact CD1-CD1 4.08Å; L57-L302 HydrophobicContact CD2-CD1 3.9Å; L57-L302 HydrophobicContact CD2-CD2 3.97Å; V124-L302 HydrophobicContact CB-CD2 4.38Å; V124-L302 HydrophobicContact CG1-CD2 3.99Å; V124-L302 HydrophobicContact CG2-CD2 3.83Å; I298-L302 HydrophobicContact CG2-CD1 3.87Å; I298-L302 HydrophobicContact CG2-CG 4.22Å; I298-L302 VanDerWaalsContact O-CG 3.26Å; I298-L302 WeakPolarHBondContact O-CG 3.45Å; I298-L302 PolarHBondContact O-N 2.66Å; I299-L302 PolarHBondContact O-N 2.88Å
303	Q	93.6	Very high	97	Very high	155 Å²	155	45.6 Å²	45.6	72%	0.724	27%	0.269	S	S	*	.	H	α-helix	trans	-99.7	-10.6	-178.2	-69	172.5	-15.4	0	0	113.5	I299 S300 F301	I299-Q303 VanDerWaalsContact O-CG 3.32Å; I299-Q303 WeakPolarHBondContact O-CG 3.38Å; I299-Q303 PolarHBondContact O-N 3.11Å; S300-Q303 PolarHBondContact O-N 2.81Å; F301-Q303 PolarHBondContact O-N 3.09Å
304	S	88.4	Confident	96.9	Very high	117 Å²	117	42.4 Å²	42.4	82%	0.818	26%	0.255	S	S	*	.			trans	-81	0	174.8	62.5	0	0	0	0	113.6	R148 S300 F301	R148-S304 PolarHBondContact NH2-O 3.06Å; S300-S304 PolarHBondContact O-N 3.33Å; F301-S304 PolarHBondContact O-N 3.09Å; F301-S304 PolarHBondContact O-OG 3.35Å

Retrieved 304 of 304 residues in 411.8 ms (Link to these results)

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