A0A087Y302_POEFO Loading...

3-hydroxyisobutyryl-CoA hydrolase

Hydrolyzes 3-hydroxyisobutyryl-CoA (HIBYL-CoA), a saline catabolite. Has high activity toward isobutyryl-CoA. Could be an isobutyryl-CoA dehydrogenase that functions in valine catabolism. Also hydrolyzes 3-hydroxypropanoyl-CoA.

AlphaFold DB , UniProt , Accession A0A087Y302, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 382 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	31.8	Very low	34.9	Very low	245 Å²	245	147.8 Å²	147.8	100%	1.207	84%	0.843	S	S	*	*				0	138	0	-85.2	-163.2	164.6	0	0	108
2	P	44.8	Very low	35.7	Very low	105 Å²	105	148.2 Å²	148.2	68%	0.682	84%	0.839	S	S	*	*				-129.6	176.4	-88.6	41.2	-31.3	0	0	0	115.8
3	L	31.1	Very low	36.7	Very low	153 Å²	153	150.5 Å²	150.5	80%	0.801	83%	0.834	S	S	*	*			trans	72.1	133	145.1	-80.5	149.7	0	0	0	117.4
4	T	33.2	Very low	36.9	Very low	115 Å²	115	145.8 Å²	145.8	71%	0.706	81%	0.813	S	S	*	*			cis	-165.9	138.9	14.5	-37.1	0	0	0	0	107.6
5	V	33.8	Very low	37.1	Very low	132 Å²	132	144 Å²	144	80%	0.8	80%	0.801	S	S	*	*			trans	-124.4	120.1	164.7	177.1	0	0	0	0	108.8
6	L	34.4	Very low	37.4	Very low	168 Å²	168	140.8 Å²	140.8	88%	0.88	79%	0.79	S	S	*	*			trans	-72.1	123	171.8	-84	140.9	0	0	0	109.9
7	T	33.1	Very low	37.6	Very low	133 Å²	133	143.7 Å²	143.7	82%	0.816	79%	0.785	S	S	*	*			trans	-111.4	125.5	163.6	43.5	0	0	0	0	110.3
8	S	33.5	Very low	37.7	Very low	124 Å²	124	141.8 Å²	141.8	87%	0.867	77%	0.774	S	S	*	*			trans	-74.5	121.9	-179.7	-172	0	0	0	0	110.6
9	A	33.9	Very low	37.8	Very low	95 Å²	95	141.5 Å²	141.5	79%	0.785	77%	0.767	S	S	*	*			trans	-86.2	111.3	173.4	0	0	0	0	0	110.4
10	C	34.1	Very low	37.9	Very low	128 Å²	128	144.8 Å²	144.8	87%	0.865	77%	0.767	S	S	*	*			trans	-72.6	139.5	176.8	-154.7	0	0	0	0	111.4	L12	C10-L12 PolarHBondContact O-N 3.4Å
11	R	40.8	Very low	38.2	Very low	228 Å²	228	142.3 Å²	142.3	86%	0.86	75%	0.753	S	S	*	*			trans	-78	108.4	-167.4	-65.9	177.3	179.3	-157.6	0	113.1
12	L	43.8	Very low	38.5	Very low	152 Å²	152	136.9 Å²	136.9	80%	0.796	73%	0.725	S	S	*	*			trans	-97.1	60.7	163.1	-85.6	158.4	0	0	0	111.7	C10	C10-L12 PolarHBondContact O-N 3.4Å
13	K	49.3	Very low	38.1	Very low	179 Å²	179	134.9 Å²	134.9	78%	0.778	72%	0.717	S	S	*	*			trans	-111.4	-9.1	176.3	-76.1	-172.7	177.3	-179.2	0	118.1
14	P	39.2	Very low	38.4	Very low	84 Å²	84	135.4 Å²	135.4	55%	0.545	72%	0.715	S	S	.	*	S	Bend	trans	-85.5	-34.1	-180	-4.8	21.9	0	0	0	114.5	R17 L18	P14-R17 PolarHBondContact O-N 3.39Å; P14-L18 PolarHBondContact O-N 3.31Å
15	L	40.5	Very low	38.8	Very low	119 Å²	119	137.2 Å²	137.2	62%	0.623	72%	0.718	S	S	*	*	H	α-helix	trans	-72.8	-39.4	-169.7	-84.3	152	0	0	0	113.8	R17 L18 Q19	L15-R17 PolarHBondContact O-N 2.91Å; L15-L18 PolarHBondContact O-N 3.4Å; L15-Q19 PolarHBondContact O-N 3.49Å
16	C	40.5	Very low	39.2	Very low	92 Å²	92	138.5 Å²	138.5	62%	0.622	72%	0.717	S	S	*	*	H	α-helix	trans	-68.9	-18.7	174.5	-72.3	0	0	0	0	113.7	R20	C16-R20 PolarHBondContact O-N 3.28Å
17	R	41.1	Very low	39.7	Very low	191 Å²	191	134.2 Å²	134.2	72%	0.721	70%	0.701	S	S	*	*	H	α-helix	trans	-82.4	-34.1	179	-145.7	177.5	-171.2	-168.8	1.6	111.5	P14 L15 R20 I21	P14-R17 PolarHBondContact O-N 3.39Å; L15-R17 PolarHBondContact O-N 2.91Å; R17-R20 PolarHBondContact O-N 3.24Å; R17-I21 VanDerWaalsContact O-CG1 3.31Å; R17-I21 WeakPolarHBondContact O-CG1 3.31Å; R17-I21 PolarHBondContact O-N 3.43Å; R17-I21 VanDerWaalsContact O-N 3.17Å
18	L	39.3	Very low	40.1	Very low	110 Å²	110	131.3 Å²	131.3	58%	0.576	70%	0.698	S	S	*	*	H	α-helix	trans	-69.6	-39.8	174.5	-83.6	155.5	0	0	0	112.3	P14 L15 R20 I21 Q22	P14-L18 PolarHBondContact O-N 3.31Å; L15-L18 PolarHBondContact O-N 3.4Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.35Å; L18-I21 PolarHBondContact O-N 3.46Å; L18-Q22 PolarHBondContact O-N 3.17Å
19	Q	39.9	Very low	40.9	Very low	136 Å²	136	133.5 Å²	133.5	64%	0.636	69%	0.694	S	S	*	*	H	α-helix	trans	-66.4	-32.1	174.9	-76.2	178.1	-29.8	0	0	113.2	L15 A23	L15-Q19 PolarHBondContact O-N 3.49Å; Q19-A23 WeakPolarHBondContact O-CB 3.43Å; Q19-A23 PolarHBondContact O-N 3.49Å
20	R	39.8	Very low	42.7	Very low	207 Å²	207	135.3 Å²	135.3	78%	0.781	69%	0.694	S	S	*	*	H	α-helix	trans	-71.1	-34	172.9	-100.7	-178.5	176.7	175.8	-0.6	113.3	C16 R17 L18 H24	C16-R20 PolarHBondContact O-N 3.28Å; R17-R20 PolarHBondContact O-N 3.24Å; L18-R20 VanDerWaalsContact C-N 3.33Å; L18-R20 PolarHBondContact O-N 3.35Å; R20-H24 PolarHBondContact O-N 3.1Å; R20-H24 VanDerWaalsContact O-N 3.1Å
21	I	44.1	Very low	45.1	Very low	92 Å²	92	136.1 Å²	136.1	47%	0.472	69%	0.686	S	S	.	*	H	α-helix	trans	-71.9	-38.9	174.4	-66.5	165.8	0	0	0	109.8	R17 L18 A23 H24 M25	R17-I21 VanDerWaalsContact O-CG1 3.31Å; R17-I21 WeakPolarHBondContact O-CG1 3.31Å; R17-I21 PolarHBondContact O-N 3.43Å; R17-I21 VanDerWaalsContact O-N 3.17Å; L18-I21 PolarHBondContact O-N 3.46Å; I21-A23 PolarHBondContact O-N 2.93Å; I21-H24 PolarHBondContact O-N 3.31Å; I21-M25 HydrophobicContact CG2-CG 4.41Å; I21-M25 HydrophobicContact CG2-SD 4.08Å; I21-M25 WeakPolarHBondContact O-CB 3.2Å; I21-M25 VanDerWaalsContact O-CG 3.28Å; I21-M25 WeakPolarHBondContact O-CG 3.42Å; I21-M25 PolarHBondContact O-N 2.97Å
22	Q	37.8	Very low	47.7	Very low	132 Å²	132	128.2 Å²	128.2	62%	0.617	66%	0.664	S	S	*	*	H	α-helix	trans	-65.5	-37.2	174.7	-122.9	171.8	-12.5	0	0	112.9	L18 M25 M26	L18-Q22 PolarHBondContact O-N 3.17Å; Q22-M25 PolarHBondContact O-N 3.2Å; Q22-M26 WeakPolarHBondContact O-CB 3.28Å; Q22-M26 WeakPolarHBondContact O-CG 3.46Å; Q22-M26 PolarHBondContact O-N 3.25Å
23	A	36.8	Very low	50.2	Low	63 Å²	63	123.7 Å²	123.7	52%	0.521	64%	0.638	S	S	.	*	H	α-helix	trans	-69.1	-32.9	173.4	0	0	0	0	0	113	Q19 I21	Q19-A23 WeakPolarHBondContact O-CB 3.43Å; Q19-A23 PolarHBondContact O-N 3.49Å; I21-A23 PolarHBondContact O-N 2.93Å
24	H	38.7	Very low	52.6	Low	164 Å²	164	115.1 Å²	115.1	76%	0.759	60%	0.601	S	S	*	*	H	α-helix	trans	-75	-23.3	172.1	-106.3	47	0	0	0	113.6	R20 I21	R20-H24 PolarHBondContact O-N 3.1Å; R20-H24 VanDerWaalsContact O-N 3.1Å; I21-H24 PolarHBondContact O-N 3.31Å
25	M	40.8	Very low	55.4	Low	153 Å²	153	113.5 Å²	113.5	75%	0.754	59%	0.588	S	S	*	*	S	Bend	trans	-89.3	-4.1	176.3	-68.6	-171.2	106.5	0	0	113.5	I21 Q22	I21-M25 HydrophobicContact CG2-CG 4.41Å; I21-M25 HydrophobicContact CG2-SD 4.08Å; I21-M25 WeakPolarHBondContact O-CB 3.2Å; I21-M25 VanDerWaalsContact O-CG 3.28Å; I21-M25 WeakPolarHBondContact O-CG 3.42Å; I21-M25 PolarHBondContact O-N 2.97Å; Q22-M25 PolarHBondContact O-N 3.2Å
26	M	41.5	Very low	58.1	Low	159 Å²	159	109.9 Å²	109.9	78%	0.783	57%	0.569	S	S	*	*	S	Bend	trans	-117.5	7.2	-178.5	-66.5	-101.2	86.3	0	0	114	Q22	Q22-M26 WeakPolarHBondContact O-CB 3.28Å; Q22-M26 WeakPolarHBondContact O-CG 3.46Å; Q22-M26 PolarHBondContact O-N 3.25Å
27	S	45.4	Very low	60.9	Low	78 Å²	78	110.6 Å²	110.6	55%	0.545	56%	0.563	S	S	.	*			trans	-118	34.4	174.2	86.8	0	0	0	0	113.4	H29	S27-H29 PolarHBondContact O-N 2.84Å
28	G	41.2	Very low	63.5	Low	72 Å²	72	105.9 Å²	105.9	74%	0.742	55%	0.548	S	S	*	.			trans	-71.1	43.5	171.8	0	0	0	0	0	113.1	V30	G28-V30 VanDerWaalsContact C-N 3.26Å; G28-V30 PolarHBondContact O-N 2.89Å
29	H	49.8	Very low	66.2	Low	170 Å²	170	102.4 Å²	102.4	79%	0.787	54%	0.535	S	S	*	.			trans	-67.1	94.8	166.4	-77.2	-64	0	0	0	107.1	S27 E31	S27-H29 PolarHBondContact O-N 2.84Å; H29-E31 PolarHBondContact O-N 3.04Å
30	V	73.1	Confident	68.8	Low	132 Å²	132	99 Å²	99	80%	0.8	54%	0.536	S	S	*	.			trans	-57	111.9	162.9	179	0	0	0	0	105.6	G28	G28-V30 VanDerWaalsContact C-N 3.26Å; G28-V30 PolarHBondContact O-N 2.89Å
31	E	84.6	Confident	71.5	Confident	145 Å²	145	92.5 Å²	92.5	68%	0.678	51%	0.512	S	S	*	.			trans	-55.6	135.1	176.5	-76.6	-176.1	170.8	0	0	109	H29 E33	H29-E31 PolarHBondContact O-N 3.04Å; E31-E33 PolarHBondContact O-N 2.94Å
32	P	94.1	Very high	74.1	Confident	62 Å²	62	88.2 Å²	88.2	40%	0.403	49%	0.49	S	S	.	.			trans	-60.8	134.1	-179.6	-18.5	28.5	0	0	0	110.8	V34 L35 N48	P32-V34 PolarHBondContact O-N 3.35Å; P32-L35 HydrophobicContact CB-CD2 4.04Å; P32-L35 HydrophobicContact CG-CD2 4.09Å; P32-N48 WeakPolarHBondContact O-CB 3.48Å; P32-N48 PolarHBondContact O-ND2 3.21Å
33	E	97.1	Very high	77	Confident	57 Å²	57	81.9 Å²	81.9	27%	0.266	46%	0.461	S	S	.	.	S	Bend	trans	-65.8	-20.4	-178.7	-66.2	-170.7	132.6	0	0	114	E31 N48 R49 N57 M60	E31-E33 PolarHBondContact O-N 2.94Å; E33-N48 CarbonylContact O-C 3.57Å; E33-N48 VanDerWaalsContact O-C 3.28Å; E33-N48 WeakPolarHBondContact O-CA 3.39Å; E33-N48 PolarHBondContact O-N 3.18Å; E33-R49 HydrophobicContact CB-CG 3.64Å; E33-R49 HydrophobicContact CG-CG 3.88Å; E33-R49 IonicContact OE1-CZ 3.99Å; E33-R49 IonicContact OE1-NE 3.38Å; E33-R49 PolarHBondContact OE1-NE 3.1Å; E33-R49 IonicContact OE1-NH2 3.91Å; E33-N57 VanDerWaalsContact CD-ND2 3.28Å; E33-N57 PolarHBondContact OE1-ND2 3.17Å; E33-N57 VanDerWaalsContact OE1-ND2 3.17Å; E33-N57 PolarHBondContact OE2-ND2 3Å; E33-N57 PolarHBondContact OE2-OD1 3.29Å; E33-M60 HydrophobicContact CB-CG 3.84Å; E33-M60 HydrophobicContact CB-SD 4.26Å; E33-M60 WeakPolarHBondContact O-CE 3.31Å
34	V	98.3	Very high	79.9	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.5	169.2	60.8	0	0	0	0	108.6	P32 L36 I45 T46 M60 R63 I64	P32-V34 PolarHBondContact O-N 3.35Å; V34-L36 HydrophobicContact CG2-CD2 4.01Å; V34-L36 HydrophobicContact CG2-CG 4.37Å; V34-I45 HydrophobicContact CG2-CG2 3.79Å; V34-T46 WeakPolarHBondContact CA-O 3.41Å; V34-M60 HydrophobicContact CB-CE 4.21Å; V34-M60 HydrophobicContact CB-CG 4.28Å; V34-M60 HydrophobicContact CG1-CB 4.41Å; V34-M60 HydrophobicContact CG1-CG 4.31Å; V34-R63 HydrophobicContact CG1-CB 3.92Å; V34-R63 VanDerWaalsContact O-CZ 3.23Å; V34-R63 PolarHBondContact O-NH1 2.84Å; V34-R63 PolarHBondContact O-NH2 3.43Å; V34-I64 HydrophobicContact CG1-CG1 4.44Å; V34-I64 HydrophobicContact CG2-CD1 4.09Å; V34-I64 HydrophobicContact CG2-CG1 3.95Å
35	L	98.5	Very high	82.8	Confident	50 Å²	50	72 Å²	72	26%	0.262	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.2	172.3	-47.5	173.6	0	0	0	108.2	P32 I45 T46 N48	P32-L35 HydrophobicContact CB-CD2 4.04Å; P32-L35 HydrophobicContact CG-CD2 4.09Å; L35-I45 WeakPolarHBondContact O-CA 3.14Å; L35-T46 HydrophobicContact CD1-CG2 4.5Å; L35-T46 PolarHBondContact N-O 3.11Å; L35-T46 PolarHBondContact O-N 3.28Å; L35-N48 HydrophobicContact CD1-CB 4.49Å; L35-N48 HydrophobicContact CG-CB 4.09Å
36	L	98.6	Very high	85.5	Confident	43 Å²	43	65.3 Å²	65.3	23%	0.225	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.2	-178.5	-60.9	172.6	0	0	0	106.5	V34 V44 I45 R63 I64 Q67 W71	V34-L36 HydrophobicContact CG2-CD2 4.01Å; V34-L36 HydrophobicContact CG2-CG 4.37Å; L36-V44 WeakPolarHBondContact CA-O 3.49Å; L36-I45 HydrophobicContact CD2-CB 4.25Å; L36-I45 HydrophobicContact CD2-CG1 3.82Å; L36-I45 HydrophobicContact CD2-CG2 4Å; L36-R63 HydrophobicContact CD1-CB 4.12Å; L36-I64 HydrophobicContact CD2-CG1 4.37Å; L36-Q67 HydrophobicContact CB-CG 4.47Å; L36-Q67 HydrophobicContact CD1-CB 3.99Å; L36-Q67 HydrophobicContact CD1-CG 4.04Å; L36-W71 HydrophobicContact CB-CH2 3.92Å; L36-W71 HydrophobicContact CB-CZ2 4.3Å; L36-W71 HydrophobicContact CD2-CH2 3.9Å; L36-W71 HydrophobicContact CD2-CZ3 4.26Å; L36-W71 HydrophobicContact CG-CH2 4.48Å
37	E	97.8	Very high	88.3	Confident	107 Å²	107	57.8 Å²	57.8	50%	0.5	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	162.8	-167.4	-64.2	175.1	101	0	0	110.4	V44	E37-V44 PolarHBondContact N-O 3.02Å; E37-V44 PolarHBondContact O-N 2.75Å
38	K	96.8	Very high	90.8	Very high	92 Å²	92	55.4 Å²	55.4	40%	0.4	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.1	165.1	-78.9	-164.8	175.3	-163.3	0	109.3	A42 D74 E76 T77	K38-A42 WeakPolarHBondContact CA-O 3.35Å; K38-D74 VanDerWaalsContact CE-OD2 3.31Å; K38-D74 WeakPolarHBondContact CE-OD2 3.46Å; K38-D74 IonicContact NZ-OD2 3.93Å; K38-D74 PolarHBondContact NZ-OD2 2.84Å; K38-E76 PolarHBondContact NZ-O 2.71Å; K38-T77 WeakPolarHBondContact CE-OG1 3.3Å; K38-T77 PolarHBondContact NZ-OG1 2.9Å; K38-T77 VanDerWaalsContact NZ-OG1 3.15Å
39	A	96	Very high	93.5	Very high	36 Å²	36	53.9 Å²	53.9	30%	0.298	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.3	168	0	0	0	0	0	107.1	R41 A42 V44 V226	A39-R41 PolarHBondContact O-N 3Å; A39-A42 PolarHBondContact N-O 2.94Å; A39-A42 PolarHBondContact O-N 3.05Å; A39-V44 HydrophobicContact CB-CG2 4.37Å; A39-V226 HydrophobicContact CB-CG1 3.84Å; A39-V226 HydrophobicContact CB-CG2 3.83Å; A39-V226 WeakPolarHBondContact O-CG1 3.48Å
40	G	93.9	Very high	95.7	Very high	65 Å²	65	48.4 Å²	48.4	67%	0.67	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	-124.3	-165.7	0	0	0	0	0	110.7
41	R	96.6	Very high	96.9	Very high	70 Å²	70	52 Å²	52	26%	0.264	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	3.7	177.4	-62.7	173.1	63.2	93.1	-1.2	113.3	A39 P75 E76 T77 D78	A39-R41 PolarHBondContact O-N 3Å; R41-P75 PolarHBondContact NH2-O 3.49Å; R41-E76 IonicContact CZ-OE1 3.38Å; R41-E76 IonicContact CZ-OE2 2.92Å; R41-E76 IonicContact NH1-OE1 2.71Å; R41-E76 PolarHBondContact NH1-OE1 2.74Å; R41-E76 IonicContact NH1-OE2 2.8Å; R41-E76 PolarHBondContact NH1-OE2 2.73Å; R41-T77 CarbonylContact O-C 3.56Å; R41-T77 WeakPolarHBondContact O-CA 3.48Å; R41-D78 HydrophobicContact CB-CB 4.32Å; R41-D78 WeakPolarHBondContact CB-OD2 3.36Å; R41-D78 WeakPolarHBondContact CD-OD2 3.41Å; R41-D78 IonicContact CZ-OD1 2.65Å; R41-D78 IonicContact CZ-OD2 3.79Å; R41-D78 VanDerWaalsContact NE-CG 3.27Å; R41-D78 IonicContact NE-OD1 3.53Å; R41-D78 PolarHBondContact NE-OD1 3Å; R41-D78 VanDerWaalsContact NE-OD1 3.15Å; R41-D78 IonicContact NE-OD2 3.25Å; R41-D78 PolarHBondContact NE-OD2 3.16Å; R41-D78 IonicContact NH2-OD1 2.86Å; R41-D78 PolarHBondContact NH2-OD1 3.18Å; R41-D78 IonicContact NH2-OD2 3.76Å; R41-D78 PolarHBondContact O-N 3.46Å
42	A	97.9	Very high	97.5	Very high	2 Å²	2	48.6 Å²	48.6	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	127	171.3	0	0	0	0	0	110.2	K38 A39 M79 I81 V226	K38-A42 WeakPolarHBondContact CA-O 3.35Å; A39-A42 PolarHBondContact N-O 2.94Å; A39-A42 PolarHBondContact O-N 3.05Å; A42-M79 HydrophobicContact CB-CG 3.82Å; A42-M79 HydrophobicContact CB-SD 4.3Å; A42-I81 HydrophobicContact CB-CD1 4.29Å; A42-V226 HydrophobicContact CB-CG2 4.04Å
43	A	98.6	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	133.7	166.9	0	0	0	0	0	109.9	W71 T77 M79 V80 I81	A43-W71 HydrophobicContact CB-CB 4.47Å; A43-W71 HydrophobicContact CB-CD2 3.34Å; A43-W71 VanDerWaalsContact CB-CE2 3.44Å; A43-W71 HydrophobicContact CB-CE3 3.59Å; A43-W71 HydrophobicContact CB-CG 3.78Å; A43-W71 HydrophobicContact CB-CH2 4.01Å; A43-W71 HydrophobicContact CB-CZ2 3.8Å; A43-W71 HydrophobicContact CB-CZ3 3.92Å; A43-T77 HydrophobicContact CB-CG2 3.7Å; A43-M79 PolarHBondContact N-O 3.13Å; A43-V80 HydrophobicContact CB-CG2 4.09Å; A43-V80 CarbonylContact O-C 3.28Å; A43-V80 WeakPolarHBondContact O-CA 2.92Å; A43-I81 PolarHBondContact O-N 2.81Å
44	V	98.8	Very high	97.7	Very high	18 Å²	18	45.4 Å²	45.4	11%	0.109	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.8	-176	-175.1	0	0	0	0	110	L36 E37 A39 I81 K83	L36-V44 WeakPolarHBondContact CA-O 3.49Å; E37-V44 PolarHBondContact N-O 3.02Å; E37-V44 PolarHBondContact O-N 2.75Å; A39-V44 HydrophobicContact CB-CG2 4.37Å; V44-I81 CarbonylContact C-O 3.57Å; V44-I81 WeakPolarHBondContact CA-O 3.31Å; V44-K83 HydrophobicContact CG1-CD 4.22Å; V44-K83 HydrophobicContact CG1-CG 4.32Å
45	I	98.9	Very high	97.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	116.5	171.2	-56.8	165.4	0	0	0	107.4	V34 L35 L36 I64 L68 W71 V80 I81 I82 K83	V34-I45 HydrophobicContact CG2-CG2 3.79Å; L35-I45 WeakPolarHBondContact O-CA 3.14Å; L36-I45 HydrophobicContact CD2-CB 4.25Å; L36-I45 HydrophobicContact CD2-CG1 3.82Å; L36-I45 HydrophobicContact CD2-CG2 4Å; I45-I64 HydrophobicContact CD1-CG2 3.98Å; I45-I64 HydrophobicContact CG2-CD1 4.2Å; I45-I64 HydrophobicContact CG2-CG1 4.13Å; I45-L68 HydrophobicContact CD1-CD2 3.85Å; I45-L68 HydrophobicContact CD1-CG 4.39Å; I45-W71 HydrophobicContact CD1-CZ3 4.07Å; I45-W71 HydrophobicContact CG1-CH2 4.11Å; I45-W71 HydrophobicContact CG1-CZ3 3.61Å; I45-V80 HydrophobicContact CD1-CG1 3.72Å; I45-V80 HydrophobicContact CG1-CG1 4.29Å; I45-I81 PolarHBondContact N-O 2.9Å; I45-I82 HydrophobicContact CB-CB 4.18Å; I45-I82 HydrophobicContact CB-CD1 4.33Å; I45-I82 HydrophobicContact CB-CG1 3.92Å; I45-I82 HydrophobicContact CG2-CD1 3.94Å; I45-I82 HydrophobicContact CG2-CG1 3.91Å; I45-I82 CarbonylContact O-C 3.54Å; I45-I82 WeakPolarHBondContact O-CA 3.39Å; I45-K83 PolarHBondContact O-N 2.71Å
46	T	98.8	Very high	97.7	Very high	14 Å²	14	43.7 Å²	43.7	9%	0.086	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.4	173.9	-56.1	0	0	0	0	110.2	V34 L35 N48 K83 A85	V34-T46 WeakPolarHBondContact CA-O 3.41Å; L35-T46 HydrophobicContact CD1-CG2 4.5Å; L35-T46 PolarHBondContact N-O 3.11Å; L35-T46 PolarHBondContact O-N 3.28Å; T46-N48 PolarHBondContact O-N 2.94Å; T46-K83 WeakPolarHBondContact CA-O 3.28Å; T46-K83 HydrophobicContact CG2-CG 4.41Å; T46-A85 HydrophobicContact CG2-CB 4.12Å
47	M	98.6	Very high	97.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	120.1	169.3	-55.9	-66.2	-79.9	0	0	109	N54 L56 M60 I64 I82 K83 A84 A85 C91 L146	M47-N54 HydrophobicContact CB-CB 3.97Å; M47-N54 PolarHBondContact O-OD1 3.15Å; M47-L56 HydrophobicContact CE-CB 4.4Å; M47-L56 HydrophobicContact CE-CD1 3.97Å; M47-M60 HydrophobicContact CB-CE 4.39Å; M47-M60 HydrophobicContact CE-CE 3.2Å; M47-M60 HydrophobicContact SD-CE 3.47Å; M47-M60 WeakPolarHBondContact SD-CE 3.35Å; M47-I64 HydrophobicContact SD-CD1 4.17Å; M47-I82 HydrophobicContact SD-CD1 4.47Å; M47-K83 PolarHBondContact N-O 3.49Å; M47-A84 HydrophobicContact CB-CB 3.97Å; M47-A85 PolarHBondContact O-N 2.99Å; M47-C91 HydrophobicContact CE-CB 4.23Å; M47-L146 HydrophobicContact CE-CD1 3.6Å; M47-L146 HydrophobicContact SD-CD1 4.08Å
48	N	98.4	Very high	97.7	Very high	28 Å²	28	38.2 Å²	38.2	15%	0.15	21%	0.211	C	C	.	.			trans	-130.2	49.3	-167	-166.9	43.7	0	0	0	112.6	P32 E33 L35 T46 A85	P32-N48 WeakPolarHBondContact O-CB 3.48Å; P32-N48 PolarHBondContact O-ND2 3.21Å; E33-N48 CarbonylContact O-C 3.57Å; E33-N48 VanDerWaalsContact O-C 3.28Å; E33-N48 WeakPolarHBondContact O-CA 3.39Å; E33-N48 PolarHBondContact O-N 3.18Å; L35-N48 HydrophobicContact CD1-CB 4.49Å; L35-N48 HydrophobicContact CG-CB 4.09Å; T46-N48 PolarHBondContact O-N 2.94Å; N48-A85 WeakPolarHBondContact OD1-CB 3.48Å
49	R	97.7	Very high	97.7	Very high	40 Å²	40	36.9 Å²	36.9	15%	0.151	21%	0.213	C	C	.	.			trans	-123.9	53.5	169.1	-57.7	176.5	81.4	-147.1	5.1	111.1	E33 K51 V52 L53 N54 A55 N57 M60 D95	E33-R49 HydrophobicContact CB-CG 3.64Å; E33-R49 HydrophobicContact CG-CG 3.88Å; E33-R49 IonicContact OE1-CZ 3.99Å; E33-R49 IonicContact OE1-NE 3.38Å; E33-R49 PolarHBondContact OE1-NE 3.1Å; E33-R49 IonicContact OE1-NH2 3.91Å; R49-K51 PolarHBondContact O-N 2.65Å; R49-K51 VanDerWaalsContact O-N 3.09Å; R49-V52 HydrophobicContact CB-CG2 3.7Å; R49-V52 CarbonylContact O-C 3.58Å; R49-V52 WeakPolarHBondContact O-CG2 3.28Å; R49-V52 PolarHBondContact O-N 2.82Å; R49-L53 PolarHBondContact O-N 3.1Å; R49-N54 WeakPolarHBondContact CA-OD1 3.16Å; R49-N54 PolarHBondContact N-OD1 3.23Å; R49-N54 PolarHBondContact O-N 2.77Å; R49-N54 PolarHBondContact O-OD1 3.15Å; R49-A55 PolarHBondContact NH1-O 2.82Å; R49-N57 VanDerWaalsContact CZ-ND2 3.28Å; R49-M60 WeakPolarHBondContact CD-SD 3.43Å; R49-M60 HydrophobicContact CG-SD 4.06Å; R49-D95 IonicContact CZ-OD2 2.82Å; R49-D95 IonicContact NH1-OD2 3.93Å; R49-D95 PolarHBondContact NH1-OD2 3.3Å; R49-D95 IonicContact NH2-OD2 2.82Å; R49-D95 PolarHBondContact NH2-OD2 2.93Å
50	P	97.6	Very high	97.8	Very high	55 Å²	55	35.2 Å²	35.2	36%	0.357	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-62.3	-27.7	-168.7	23.9	-35.2	0	0	0	113.8	V52 L53 N54	P50-V52 PolarHBondContact O-N 3.36Å; P50-L53 PolarHBondContact O-N 3.15Å; P50-L53 VanDerWaalsContact O-N 3.15Å; P50-N54 VanDerWaalsContact N-OD1 3.09Å
51	K	96.9	Very high	98.1	Very high	207 Å²	207	32.1 Å²	32.1	90%	0.9	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-62.8	-25.7	177.3	-66.1	-179.8	-177.9	171.5	0	113.3	R49	R49-K51 PolarHBondContact O-N 2.65Å; R49-K51 VanDerWaalsContact O-N 3.09Å
52	V	96.8	Very high	98.2	Very high	75 Å²	75	34.5 Å²	34.5	46%	0.455	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-116.9	31.7	176.5	-64.3	0	0	0	0	111.2	R49 P50 N54 A55	R49-V52 HydrophobicContact CB-CG2 3.7Å; R49-V52 CarbonylContact O-C 3.58Å; R49-V52 WeakPolarHBondContact O-CG2 3.28Å; R49-V52 PolarHBondContact O-N 2.82Å; P50-V52 PolarHBondContact O-N 3.36Å; V52-N54 PolarHBondContact O-N 3.06Å; V52-N54 VanDerWaalsContact O-N 3.16Å; V52-A55 WeakPolarHBondContact O-CB 3.31Å; V52-A55 PolarHBondContact O-N 3.42Å
53	L	97.9	Very high	98.2	Very high	51 Å²	51	38.7 Å²	38.7	27%	0.267	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	34.3	177.5	-51.7	179.2	0	0	0	113.5	R49 P50 A55 K88 A89 A92 I138	R49-L53 PolarHBondContact O-N 3.1Å; P50-L53 PolarHBondContact O-N 3.15Å; P50-L53 VanDerWaalsContact O-N 3.15Å; L53-A55 PolarHBondContact O-N 2.65Å; L53-K88 HydrophobicContact CD2-CD 3.6Å; L53-K88 HydrophobicContact CD2-CG 4.03Å; L53-A89 HydrophobicContact CB-CB 3.78Å; L53-A89 HydrophobicContact CD2-CB 4.28Å; L53-A89 WeakPolarHBondContact O-CB 3.36Å; L53-A92 HydrophobicContact CB-CB 3.57Å; L53-A92 HydrophobicContact CD1-CB 4.15Å; L53-A92 PolarHBondContact O-N 2.91Å; L53-I138 HydrophobicContact CD1-CD1 4.27Å
54	N	98.5	Very high	98.2	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	30.5	178.6	-64.1	-42.8	0	0	0	113.8	M47 R49 P50 V52 L56 A85 A89 F90 C91	M47-N54 HydrophobicContact CB-CB 3.97Å; M47-N54 PolarHBondContact O-OD1 3.15Å; R49-N54 WeakPolarHBondContact CA-OD1 3.16Å; R49-N54 PolarHBondContact N-OD1 3.23Å; R49-N54 PolarHBondContact O-N 2.77Å; R49-N54 PolarHBondContact O-OD1 3.15Å; P50-N54 VanDerWaalsContact N-OD1 3.09Å; V52-N54 PolarHBondContact O-N 3.06Å; V52-N54 VanDerWaalsContact O-N 3.16Å; N54-L56 PolarHBondContact O-N 3.33Å; N54-A85 PolarHBondContact ND2-O 2.77Å; N54-A89 PolarHBondContact ND2-O 2.87Å; N54-F90 WeakPolarHBondContact CB-O 3.46Å; N54-C91 PolarHBondContact O-SG 3.42Å
55	A	98.3	Very high	98.2	Very high	13 Å²	13	39 Å²	39	11%	0.107	19%	0.192	C	C	.	.			trans	-54.1	129.8	176	0	0	0	0	0	111.2	R49 V52 L53 G93 D95	R49-A55 PolarHBondContact NH1-O 2.82Å; V52-A55 WeakPolarHBondContact O-CB 3.31Å; V52-A55 PolarHBondContact O-N 3.42Å; L53-A55 PolarHBondContact O-N 2.65Å; A55-G93 CarbonylContact C-O 3.55Å; A55-G93 VanDerWaalsContact CA-O 3.23Å; A55-G93 WeakPolarHBondContact CA-O 3.39Å; A55-D95 HydrophobicContact CB-CB 4.45Å
56	L	98.6	Very high	98.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-77	123.7	-176	-179.5	65.8	0	0	0	110.3	M47 N54 M60 I61 I64 G93 G94 D95 F113 E117 L146	M47-L56 HydrophobicContact CE-CB 4.4Å; M47-L56 HydrophobicContact CE-CD1 3.97Å; N54-L56 PolarHBondContact O-N 3.33Å; L56-M60 HydrophobicContact CD1-CB 3.74Å; L56-M60 HydrophobicContact CD1-CE 4.36Å; L56-M60 HydrophobicContact CD1-SD 4.42Å; L56-I61 HydrophobicContact CD1-CG1 3.85Å; L56-I61 HydrophobicContact CD2-CD1 4.09Å; L56-I61 HydrophobicContact CD2-CG1 3.83Å; L56-I61 HydrophobicContact CG-CD1 4.1Å; L56-I61 HydrophobicContact CG-CG1 3.79Å; L56-I64 HydrophobicContact CD1-CD1 4.43Å; L56-G93 PolarHBondContact N-O 2.64Å; L56-G94 CarbonylContact O-C 3.58Å; L56-G94 WeakPolarHBondContact O-CA 3.38Å; L56-D95 PolarHBondContact O-N 2.81Å; L56-F113 WeakPolarHBondContact O-CE2 3.46Å; L56-E117 HydrophobicContact CD2-CG 4.17Å; L56-E117 WeakPolarHBondContact CD2-OE1 3.32Å; L56-L146 HydrophobicContact CD1-CD1 4.2Å; L56-L146 HydrophobicContact CD2-CD1 3.99Å; L56-L146 HydrophobicContact CD2-CD2 4.2Å; L56-L146 HydrophobicContact CD2-CG 4.15Å
57	N	98	Very high	98.2	Very high	20 Å²	20	42.9 Å²	42.9	11%	0.107	21%	0.213	C	C	.	.			trans	-115.2	171.5	174.7	71	18.5	0	0	0	111.6	E33 R49 S59 M60 I61 D95	E33-N57 VanDerWaalsContact CD-ND2 3.28Å; E33-N57 PolarHBondContact OE1-ND2 3.17Å; E33-N57 VanDerWaalsContact OE1-ND2 3.17Å; E33-N57 PolarHBondContact OE2-ND2 3Å; E33-N57 PolarHBondContact OE2-OD1 3.29Å; R49-N57 VanDerWaalsContact CZ-ND2 3.28Å; N57-S59 VanDerWaalsContact C-N 3.28Å; N57-S59 PolarHBondContact O-N 2.89Å; N57-S59 PolarHBondContact OD1-N 3.39Å; N57-M60 PolarHBondContact O-N 2.87Å; N57-M60 VanDerWaalsContact O-N 3.16Å; N57-M60 VanDerWaalsContact OD1-CG 3.26Å; N57-M60 WeakPolarHBondContact OD1-CG 3.4Å; N57-M60 PolarHBondContact OD1-N 3.3Å; N57-I61 WeakPolarHBondContact O-CG1 3.32Å; N57-I61 PolarHBondContact O-N 2.75Å; N57-I61 VanDerWaalsContact O-N 3.09Å; N57-D95 HydrophobicContact CB-CB 3.98Å
58	L	97.8	Very high	98.1	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-59.6	-36.1	-179.2	-174.7	54.3	0	0	0	113.1	M60 I61 R62 L109 D112 F113 E116	L58-M60 VanDerWaalsContact C-N 3.34Å; L58-M60 PolarHBondContact O-N 2.89Å; L58-I61 PolarHBondContact O-N 3.18Å; L58-R62 HydrophobicContact CD1-CG 4.2Å; L58-R62 HydrophobicContact CG-CG 4.49Å; L58-R62 WeakPolarHBondContact O-CB 3.43Å; L58-R62 WeakPolarHBondContact O-CG 3.49Å; L58-R62 PolarHBondContact O-N 3.16Å; L58-L109 HydrophobicContact CD2-CG 4.13Å; L58-D112 HydrophobicContact CD2-CB 4.14Å; L58-F113 HydrophobicContact CB-CD2 4.26Å; L58-E116 HydrophobicContact CD1-CB 4.19Å; L58-E116 HydrophobicContact CD1-CG 4.38Å
59	S	97.5	Very high	98.1	Very high	65 Å²	65	46.6 Å²	46.6	46%	0.455	23%	0.23	S	C	.	.	H	α-helix	trans	-64.3	-38.8	177.8	-174.2	0	0	0	0	112.1	N57 R63	N57-S59 VanDerWaalsContact C-N 3.28Å; N57-S59 PolarHBondContact O-N 2.89Å; N57-S59 PolarHBondContact OD1-N 3.39Å; S59-R63 VanDerWaalsContact O-CG 3.31Å; S59-R63 WeakPolarHBondContact O-CG 3.43Å; S59-R63 PolarHBondContact O-N 2.81Å
60	M	98.6	Very high	98.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.1	-45.2	175.7	-67.7	169.4	76.1	0	0	111	E33 V34 M47 R49 L56 N57 L58 R62 R63 I64	E33-M60 HydrophobicContact CB-CG 3.84Å; E33-M60 HydrophobicContact CB-SD 4.26Å; E33-M60 WeakPolarHBondContact O-CE 3.31Å; V34-M60 HydrophobicContact CB-CE 4.21Å; V34-M60 HydrophobicContact CB-CG 4.28Å; V34-M60 HydrophobicContact CG1-CB 4.41Å; V34-M60 HydrophobicContact CG1-CG 4.31Å; M47-M60 HydrophobicContact CB-CE 4.39Å; M47-M60 HydrophobicContact CE-CE 3.2Å; M47-M60 HydrophobicContact SD-CE 3.47Å; M47-M60 WeakPolarHBondContact SD-CE 3.35Å; R49-M60 WeakPolarHBondContact CD-SD 3.43Å; R49-M60 HydrophobicContact CG-SD 4.06Å; L56-M60 HydrophobicContact CD1-CB 3.74Å; L56-M60 HydrophobicContact CD1-CE 4.36Å; L56-M60 HydrophobicContact CD1-SD 4.42Å; N57-M60 PolarHBondContact O-N 2.87Å; N57-M60 VanDerWaalsContact O-N 3.16Å; N57-M60 VanDerWaalsContact OD1-CG 3.26Å; N57-M60 WeakPolarHBondContact OD1-CG 3.4Å; N57-M60 PolarHBondContact OD1-N 3.3Å; L58-M60 VanDerWaalsContact C-N 3.34Å; L58-M60 PolarHBondContact O-N 2.89Å; M60-R62 VanDerWaalsContact C-N 3.34Å; M60-R62 PolarHBondContact O-N 3.45Å; M60-R63 PolarHBondContact O-N 2.87Å; M60-I64 HydrophobicContact CB-CD1 4.46Å; M60-I64 VanDerWaalsContact O-CG1 3.3Å; M60-I64 WeakPolarHBondContact O-CG1 3.43Å; M60-I64 PolarHBondContact O-N 3.19Å
61	I	98.8	Very high	98.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-55.2	-50.5	176.6	-66	163.3	0	0	0	110.5	L56 N57 L58 R63 I64 H65 F113 E116 E117 L120	L56-I61 HydrophobicContact CD1-CG1 3.85Å; L56-I61 HydrophobicContact CD2-CD1 4.09Å; L56-I61 HydrophobicContact CD2-CG1 3.83Å; L56-I61 HydrophobicContact CG-CD1 4.1Å; L56-I61 HydrophobicContact CG-CG1 3.79Å; N57-I61 WeakPolarHBondContact O-CG1 3.32Å; N57-I61 PolarHBondContact O-N 2.75Å; N57-I61 VanDerWaalsContact O-N 3.09Å; L58-I61 PolarHBondContact O-N 3.18Å; I61-R63 PolarHBondContact O-N 2.82Å; I61-R63 VanDerWaalsContact O-N 3.13Å; I61-I64 PolarHBondContact O-N 3.1Å; I61-H65 WeakPolarHBondContact O-CB 3.37Å; I61-H65 PolarHBondContact O-N 2.88Å; I61-F113 HydrophobicContact CD1-CD2 3.86Å; I61-F113 HydrophobicContact CD1-CE2 3.57Å; I61-F113 HydrophobicContact CD1-CZ 4.2Å; I61-E116 HydrophobicContact CG2-CB 3.7Å; I61-E116 WeakPolarHBondContact CG2-O 3.26Å; I61-E117 HydrophobicContact CD1-CB 3.74Å; I61-E117 HydrophobicContact CD1-CG 4.25Å; I61-L120 HydrophobicContact CB-CD2 4.48Å; I61-L120 HydrophobicContact CG1-CD2 4.27Å; I61-L120 HydrophobicContact CG2-CB 4.36Å; I61-L120 HydrophobicContact CG2-CD2 4.24Å
62	R	98.4	Very high	98.2	Very high	120 Å²	120	40.6 Å²	40.6	45%	0.453	20%	0.2	S	C	.	.	H	α-helix	trans	-62.7	-17.7	178.6	-75.4	177.4	175.5	172.1	-1.5	114.4	L58 M60 P66 D112 E116	L58-R62 HydrophobicContact CD1-CG 4.2Å; L58-R62 HydrophobicContact CG-CG 4.49Å; L58-R62 WeakPolarHBondContact O-CB 3.43Å; L58-R62 WeakPolarHBondContact O-CG 3.49Å; L58-R62 PolarHBondContact O-N 3.16Å; M60-R62 VanDerWaalsContact C-N 3.34Å; M60-R62 PolarHBondContact O-N 3.45Å; R62-P66 VanDerWaalsContact O-CD 3.31Å; R62-P66 WeakPolarHBondContact O-CD 3.41Å; R62-P66 WeakPolarHBondContact O-CG 3.47Å; R62-D112 IonicContact NH2-OD2 3.98Å; R62-E116 WeakPolarHBondContact CG-OE2 3.37Å; R62-E116 IonicContact CZ-OE1 3.28Å; R62-E116 VanDerWaalsContact CZ-OE1 3.28Å; R62-E116 IonicContact NE-OE1 3Å; R62-E116 PolarHBondContact NE-OE1 3.17Å; R62-E116 IonicContact NE-OE2 3Å; R62-E116 PolarHBondContact NE-OE2 3.3Å; R62-E116 IonicContact NH2-OE1 2.71Å; R62-E116 PolarHBondContact NH2-OE1 3.09Å
63	R	98.4	Very high	98.2	Very high	90 Å²	90	41.3 Å²	41.3	34%	0.34	21%	0.208	S	C	.	.	H	α-helix	trans	-92.8	-42.2	173.4	-71.4	-178.7	69	-148.8	-7.7	112	V34 L36 S59 M60 I61 Q67	V34-R63 HydrophobicContact CG1-CB 3.92Å; V34-R63 VanDerWaalsContact O-CZ 3.23Å; V34-R63 PolarHBondContact O-NH1 2.84Å; V34-R63 PolarHBondContact O-NH2 3.43Å; L36-R63 HydrophobicContact CD1-CB 4.12Å; S59-R63 VanDerWaalsContact O-CG 3.31Å; S59-R63 WeakPolarHBondContact O-CG 3.43Å; S59-R63 PolarHBondContact O-N 2.81Å; M60-R63 PolarHBondContact O-N 2.87Å; I61-R63 PolarHBondContact O-N 2.82Å; I61-R63 VanDerWaalsContact O-N 3.13Å; R63-Q67 VanDerWaalsContact O-CB 3.28Å; R63-Q67 WeakPolarHBondContact O-CB 3.26Å
64	I	98.8	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71	-50.8	-176.4	-64.7	164.8	0	0	0	110.9	V34 L36 I45 M47 L56 M60 I61 Q67 L68 L120	V34-I64 HydrophobicContact CG1-CG1 4.44Å; V34-I64 HydrophobicContact CG2-CD1 4.09Å; V34-I64 HydrophobicContact CG2-CG1 3.95Å; L36-I64 HydrophobicContact CD2-CG1 4.37Å; I45-I64 HydrophobicContact CD1-CG2 3.98Å; I45-I64 HydrophobicContact CG2-CD1 4.2Å; I45-I64 HydrophobicContact CG2-CG1 4.13Å; M47-I64 HydrophobicContact SD-CD1 4.17Å; L56-I64 HydrophobicContact CD1-CD1 4.43Å; M60-I64 HydrophobicContact CB-CD1 4.46Å; M60-I64 VanDerWaalsContact O-CG1 3.3Å; M60-I64 WeakPolarHBondContact O-CG1 3.43Å; M60-I64 PolarHBondContact O-N 3.19Å; I61-I64 PolarHBondContact O-N 3.1Å; I64-Q67 PolarHBondContact O-N 3.42Å; I64-Q67 VanDerWaalsContact O-N 3.11Å; I64-L68 HydrophobicContact CG2-CD1 3.98Å; I64-L68 HydrophobicContact CG2-CG 4.15Å; I64-L68 PolarHBondContact O-N 2.82Å; I64-L120 HydrophobicContact CB-CD1 4.44Å; I64-L120 HydrophobicContact CB-CD2 4.27Å; I64-L120 HydrophobicContact CG2-CD1 3.71Å; I64-L120 HydrophobicContact CG2-CD2 4.14Å
65	H	98.6	Very high	98.1	Very high	25 Å²	25	45.3 Å²	45.3	12%	0.116	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-55	-171.3	-178.6	-159	0	0	0	113.8	I61 Q67 L68 Q69 L120	I61-H65 WeakPolarHBondContact O-CB 3.37Å; I61-H65 PolarHBondContact O-N 2.88Å; H65-Q67 PolarHBondContact O-N 2.94Å; H65-L68 PolarHBondContact O-N 2.88Å; H65-Q69 PolarHBondContact NE2-NE2 2.92Å; H65-Q69 PolarHBondContact O-N 3.1Å; H65-L120 HydrophobicContact CB-CB 4.3Å; H65-L120 HydrophobicContact CB-CD1 4.08Å
66	P	98.3	Very high	98	Very high	51 Å²	51	49.7 Å²	49.7	33%	0.331	25%	0.253	S	S	.	.	H	α-helix	trans	-66	-26.4	177.2	26.2	-35.1	0	0	0	112.6	R62 Q69 K70	R62-P66 VanDerWaalsContact O-CD 3.31Å; R62-P66 WeakPolarHBondContact O-CD 3.41Å; R62-P66 WeakPolarHBondContact O-CG 3.47Å; P66-Q69 PolarHBondContact O-N 2.88Å; P66-K70 WeakPolarHBondContact O-CG 3.4Å; P66-K70 PolarHBondContact O-N 2.95Å
67	Q	98.6	Very high	97.9	Very high	44 Å²	44	49.7 Å²	49.7	21%	0.206	25%	0.253	C	S	.	.	H	α-helix	trans	-72.1	-37.5	177.3	-171	60	44.2	0	0	112.1	L36 R63 I64 H65 Q69 K70 W71	L36-Q67 HydrophobicContact CB-CG 4.47Å; L36-Q67 HydrophobicContact CD1-CB 3.99Å; L36-Q67 HydrophobicContact CD1-CG 4.04Å; R63-Q67 VanDerWaalsContact O-CB 3.28Å; R63-Q67 WeakPolarHBondContact O-CB 3.26Å; I64-Q67 PolarHBondContact O-N 3.42Å; I64-Q67 VanDerWaalsContact O-N 3.11Å; H65-Q67 PolarHBondContact O-N 2.94Å; Q67-Q69 VanDerWaalsContact C-N 3.33Å; Q67-Q69 PolarHBondContact O-N 3.19Å; Q67-K70 PolarHBondContact O-N 3.35Å; Q67-W71 HydrophobicContact CB-CZ3 4.45Å; Q67-W71 HydrophobicContact CG-CD2 3.74Å; Q67-W71 HydrophobicContact CG-CE3 3.71Å; Q67-W71 HydrophobicContact CG-CH2 3.55Å; Q67-W71 HydrophobicContact CG-CZ2 3.56Å; Q67-W71 HydrophobicContact CG-CZ3 3.61Å; Q67-W71 PolarHBondContact O-N 3.33Å
68	L	98.5	Very high	97.9	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-45.8	171.5	-76.3	177.5	0	0	0	111	I45 I64 H65 K70 W71 E72 V80 L120 I124 Y127 Y131	I45-L68 HydrophobicContact CD1-CD2 3.85Å; I45-L68 HydrophobicContact CD1-CG 4.39Å; I64-L68 HydrophobicContact CG2-CD1 3.98Å; I64-L68 HydrophobicContact CG2-CG 4.15Å; I64-L68 PolarHBondContact O-N 2.82Å; H65-L68 PolarHBondContact O-N 2.88Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 3.03Å; L68-W71 HydrophobicContact CD2-CE3 4.37Å; L68-W71 PolarHBondContact O-N 3.28Å; L68-E72 WeakPolarHBondContact O-CB 3.21Å; L68-E72 PolarHBondContact O-N 2.87Å; L68-V80 HydrophobicContact CD2-CB 4.48Å; L68-V80 HydrophobicContact CD2-CG1 3.96Å; L68-V80 HydrophobicContact CD2-CG2 3.97Å; L68-L120 HydrophobicContact CD1-CD1 3.56Å; L68-I124 HydrophobicContact CD1-CG1 3.93Å; L68-Y127 HydrophobicContact CB-CE2 3.87Å; L68-Y127 HydrophobicContact CD2-CE2 3.97Å; L68-Y127 HydrophobicContact CG-CE2 4.45Å; L68-Y127 WeakPolarHBondContact O-CE2 3.5Å; L68-Y127 PolarHBondContact O-OH 3.12Å; L68-Y127 VanDerWaalsContact O-OH 3.13Å; L68-Y131 HydrophobicContact CD2-CE2 4.23Å
69	Q	97.4	Very high	97.9	Very high	107 Å²	107	49 Å²	49	50%	0.5	25%	0.25	S	C	.	.	H	α-helix	trans	-60.9	-39.9	178.1	-65.4	176.3	-21.8	0	0	112.6	H65 P66 Q67 S73	H65-Q69 PolarHBondContact NE2-NE2 2.92Å; H65-Q69 PolarHBondContact O-N 3.1Å; P66-Q69 PolarHBondContact O-N 2.88Å; Q67-Q69 VanDerWaalsContact C-N 3.33Å; Q67-Q69 PolarHBondContact O-N 3.19Å; Q69-S73 PolarHBondContact O-N 2.81Å; Q69-S73 PolarHBondContact O-OG 2.79Å
70	K	98.4	Very high	98	Very high	128 Å²	128	46 Å²	46	56%	0.557	23%	0.228	S	C	*	.	H	α-helix	trans	-63.2	-48.7	174.5	-71.1	173.7	-175.5	178.2	0	111.4	P66 Q67 L68 E72 S73 D74	P66-K70 WeakPolarHBondContact O-CG 3.4Å; P66-K70 PolarHBondContact O-N 2.95Å; Q67-K70 PolarHBondContact O-N 3.35Å; L68-K70 VanDerWaalsContact C-N 3.32Å; L68-K70 PolarHBondContact O-N 3.03Å; K70-E72 VanDerWaalsContact C-N 3.3Å; K70-E72 PolarHBondContact O-N 3.46Å; K70-S73 PolarHBondContact O-N 3.23Å; K70-S73 PolarHBondContact O-OG 2.87Å; K70-S73 VanDerWaalsContact O-OG 3.1Å; K70-D74 VanDerWaalsContact O-CB 3.28Å; K70-D74 WeakPolarHBondContact O-CB 3.36Å; K70-D74 PolarHBondContact O-N 3.15Å
71	W	98.5	Very high	98	Very high	12 Å²	12	46 Å²	46	5%	0.045	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-30.9	179.9	-75.7	-32.7	0	0	0	113.3	L36 A43 I45 Q67 L68 S73 D74 T77 V80 Y127 K129	L36-W71 HydrophobicContact CB-CH2 3.92Å; L36-W71 HydrophobicContact CB-CZ2 4.3Å; L36-W71 HydrophobicContact CD2-CH2 3.9Å; L36-W71 HydrophobicContact CD2-CZ3 4.26Å; L36-W71 HydrophobicContact CG-CH2 4.48Å; A43-W71 HydrophobicContact CB-CB 4.47Å; A43-W71 HydrophobicContact CB-CD2 3.34Å; A43-W71 VanDerWaalsContact CB-CE2 3.44Å; A43-W71 HydrophobicContact CB-CE3 3.59Å; A43-W71 HydrophobicContact CB-CG 3.78Å; A43-W71 HydrophobicContact CB-CH2 4.01Å; A43-W71 HydrophobicContact CB-CZ2 3.8Å; A43-W71 HydrophobicContact CB-CZ3 3.92Å; I45-W71 HydrophobicContact CD1-CZ3 4.07Å; I45-W71 HydrophobicContact CG1-CH2 4.11Å; I45-W71 HydrophobicContact CG1-CZ3 3.61Å; Q67-W71 HydrophobicContact CB-CZ3 4.45Å; Q67-W71 HydrophobicContact CG-CD2 3.74Å; Q67-W71 HydrophobicContact CG-CE3 3.71Å; Q67-W71 HydrophobicContact CG-CH2 3.55Å; Q67-W71 HydrophobicContact CG-CZ2 3.56Å; Q67-W71 HydrophobicContact CG-CZ3 3.61Å; Q67-W71 PolarHBondContact O-N 3.33Å; L68-W71 HydrophobicContact CD2-CE3 4.37Å; L68-W71 PolarHBondContact O-N 3.28Å; W71-S73 VanDerWaalsContact C-N 3.34Å; W71-S73 PolarHBondContact O-N 2.8Å; W71-D74 PolarHBondContact O-N 3.31Å; W71-T77 HydrophobicContact CB-CG2 3.94Å; W71-T77 HydrophobicContact CG-CG2 4.18Å; W71-V80 HydrophobicContact CE3-CG2 4.23Å; W71-Y127 WeakPolarHBondContact CB-OH 3.37Å; W71-K129 PolarHBondContact O-NZ 2.9Å
72	E	97.3	Very high	98	Very high	36 Å²	36	46 Å²	46	17%	0.168	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-40	176.3	-162.3	-174.9	-130.7	0	0	111.9	L68 K70 Y127 R128 K129	L68-E72 WeakPolarHBondContact O-CB 3.21Å; L68-E72 PolarHBondContact O-N 2.87Å; K70-E72 VanDerWaalsContact C-N 3.3Å; K70-E72 PolarHBondContact O-N 3.46Å; E72-Y127 HydrophobicContact CB-CD2 4.49Å; E72-Y127 HydrophobicContact CB-CE2 3.71Å; E72-Y127 HydrophobicContact CG-CD2 4.4Å; E72-Y127 HydrophobicContact CG-CE2 4.04Å; E72-Y127 PolarHBondContact N-OH 3.13Å; E72-R128 HydrophobicContact CG-CB 4.08Å; E72-R128 WeakPolarHBondContact OE1-CB 3.43Å; E72-R128 WeakPolarHBondContact OE1-CG 3.3Å; E72-R128 PolarHBondContact OE1-N 3.28Å; E72-R128 IonicContact OE1-NE 3.43Å; E72-R128 PolarHBondContact OE1-NE 3.22Å; E72-R128 IonicContact OE2-CZ 2.73Å; E72-R128 VanDerWaalsContact OE2-CZ 3.31Å; E72-R128 IonicContact OE2-NE 3.71Å; E72-R128 PolarHBondContact OE2-NE 3.13Å; E72-R128 IonicContact OE2-NH2 3.46Å; E72-R128 PolarHBondContact OE2-NH2 3.22Å; E72-K129 WeakPolarHBondContact O-CE 3.43Å; E72-K129 PolarHBondContact O-NZ 3.48Å
73	S	96.8	Very high	98	Very high	90 Å²	90	42.7 Å²	42.7	63%	0.629	22%	0.217	S	C	*	.	H	α-helix	trans	-85	-13.4	179.1	54.2	0	0	0	0	114.3	Q69 K70 W71 P75	Q69-S73 PolarHBondContact O-N 2.81Å; Q69-S73 PolarHBondContact O-OG 2.79Å; K70-S73 PolarHBondContact O-N 3.23Å; K70-S73 PolarHBondContact O-OG 2.87Å; K70-S73 VanDerWaalsContact O-OG 3.1Å; W71-S73 VanDerWaalsContact C-N 3.34Å; W71-S73 PolarHBondContact O-N 2.8Å; S73-P75 WeakPolarHBondContact O-CD 3.34Å
74	D	97.8	Very high	98	Very high	39 Å²	39	39.4 Å²	39.4	21%	0.209	21%	0.209	C	C	.	.			trans	-79.3	116.1	-176.3	175	14.1	0	0	0	112.4	K38 K70 W71 E76 T77 K129	K38-D74 VanDerWaalsContact CE-OD2 3.31Å; K38-D74 WeakPolarHBondContact CE-OD2 3.46Å; K38-D74 IonicContact NZ-OD2 3.93Å; K38-D74 PolarHBondContact NZ-OD2 2.84Å; K70-D74 VanDerWaalsContact O-CB 3.28Å; K70-D74 WeakPolarHBondContact O-CB 3.36Å; K70-D74 PolarHBondContact O-N 3.15Å; W71-D74 PolarHBondContact O-N 3.31Å; D74-E76 PolarHBondContact O-N 3Å; D74-E76 VanDerWaalsContact O-N 3.15Å; D74-E76 WeakPolarHBondContact OD1-CB 3.34Å; D74-E76 PolarHBondContact OD1-N 2.83Å; D74-T77 PolarHBondContact O-N 3.04Å; D74-T77 VanDerWaalsContact O-N 3.1Å; D74-T77 PolarHBondContact OD2-OG1 3.15Å; D74-K129 PolarHBondContact O-NZ 3.36Å
75	P	96	Very high	98	Very high	97 Å²	97	40.6 Å²	40.6	63%	0.63	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.5	178.9	29.5	-35.9	0	0	0	113.2	R41 S73 T77	R41-P75 PolarHBondContact NH2-O 3.49Å; S73-P75 WeakPolarHBondContact O-CD 3.34Å; P75-T77 VanDerWaalsContact C-N 3.34Å
76	E	96.3	Very high	97.8	Very high	104 Å²	104	42.5 Å²	42.5	49%	0.486	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	15.1	176.1	-62.4	-58.8	111.3	0	0	113	K38 R41 D74	K38-E76 PolarHBondContact NZ-O 2.71Å; R41-E76 IonicContact CZ-OE1 3.38Å; R41-E76 IonicContact CZ-OE2 2.92Å; R41-E76 IonicContact NH1-OE1 2.71Å; R41-E76 PolarHBondContact NH1-OE1 2.74Å; R41-E76 IonicContact NH1-OE2 2.8Å; R41-E76 PolarHBondContact NH1-OE2 2.73Å; D74-E76 PolarHBondContact O-N 3Å; D74-E76 VanDerWaalsContact O-N 3.15Å; D74-E76 WeakPolarHBondContact OD1-CB 3.34Å; D74-E76 PolarHBondContact OD1-N 2.83Å
77	T	97.9	Very high	97.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	25%	0.248	C	C	.	.			trans	-123.5	117.1	171.3	-58.5	0	0	0	0	109	K38 R41 A43 W71 D74 P75 M79 K129	K38-T77 WeakPolarHBondContact CE-OG1 3.3Å; K38-T77 PolarHBondContact NZ-OG1 2.9Å; K38-T77 VanDerWaalsContact NZ-OG1 3.15Å; R41-T77 CarbonylContact O-C 3.56Å; R41-T77 WeakPolarHBondContact O-CA 3.48Å; A43-T77 HydrophobicContact CB-CG2 3.7Å; W71-T77 HydrophobicContact CB-CG2 3.94Å; W71-T77 HydrophobicContact CG-CG2 4.18Å; D74-T77 PolarHBondContact O-N 3.04Å; D74-T77 VanDerWaalsContact O-N 3.1Å; D74-T77 PolarHBondContact OD2-OG1 3.15Å; P75-T77 VanDerWaalsContact C-N 3.34Å; T77-M79 WeakPolarHBondContact CG2-O 3.33Å; T77-K129 VanDerWaalsContact O-CD 3.22Å; T77-K129 WeakPolarHBondContact O-CD 3.35Å; T77-K129 VanDerWaalsContact O-CE 3.23Å; T77-K129 WeakPolarHBondContact O-CE 3.46Å; T77-K129 PolarHBondContact O-NZ 3.24Å
78	D	97.6	Very high	97.5	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.102	27%	0.267	C	S	.	.			trans	-95.8	-29.1	-178.2	-63.8	-22.4	0	0	0	112.5	R41 P130 S230	R41-D78 HydrophobicContact CB-CB 4.32Å; R41-D78 WeakPolarHBondContact CB-OD2 3.36Å; R41-D78 WeakPolarHBondContact CD-OD2 3.41Å; R41-D78 IonicContact CZ-OD1 2.65Å; R41-D78 IonicContact CZ-OD2 3.79Å; R41-D78 VanDerWaalsContact NE-CG 3.27Å; R41-D78 IonicContact NE-OD1 3.53Å; R41-D78 PolarHBondContact NE-OD1 3Å; R41-D78 VanDerWaalsContact NE-OD1 3.15Å; R41-D78 IonicContact NE-OD2 3.25Å; R41-D78 PolarHBondContact NE-OD2 3.16Å; R41-D78 IonicContact NH2-OD1 2.86Å; R41-D78 PolarHBondContact NH2-OD1 3.18Å; R41-D78 IonicContact NH2-OD2 3.76Å; R41-D78 PolarHBondContact O-N 3.46Å; D78-P130 WeakPolarHBondContact O-CD 3.48Å; D78-S230 WeakPolarHBondContact OD2-CA 3.38Å; D78-S230 PolarHBondContact OD2-N 3.27Å
79	M	98.4	Very high	97.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	166.1	-179	67.9	170.9	69	0	0	112.1	A42 A43 T77 I81 P130 L225 L228 P231 V236	A42-M79 HydrophobicContact CB-CG 3.82Å; A42-M79 HydrophobicContact CB-SD 4.3Å; A43-M79 PolarHBondContact N-O 3.13Å; T77-M79 WeakPolarHBondContact CG2-O 3.33Å; M79-I81 HydrophobicContact SD-CD1 4.14Å; M79-I81 HydrophobicContact SD-CG1 4.07Å; M79-P130 WeakPolarHBondContact CA-O 3.36Å; M79-P130 HydrophobicContact CB-CB 3.99Å; M79-P130 WeakPolarHBondContact CB-O 3.34Å; M79-L225 HydrophobicContact SD-CB 4.26Å; M79-L225 HydrophobicContact SD-CD2 4.4Å; M79-L228 HydrophobicContact CE-CB 4.23Å; M79-L228 HydrophobicContact CE-CD1 4.1Å; M79-P231 HydrophobicContact CE-CB 4.38Å; M79-P231 HydrophobicContact CE-CG 3.26Å; M79-V236 HydrophobicContact CE-CG2 4.07Å
80	V	98.8	Very high	97.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	132.9	168.1	173.7	0	0	0	0	109.9	A43 I45 L68 W71 Y127 P130 Y131 V132	A43-V80 HydrophobicContact CB-CG2 4.09Å; A43-V80 CarbonylContact O-C 3.28Å; A43-V80 WeakPolarHBondContact O-CA 2.92Å; I45-V80 HydrophobicContact CD1-CG1 3.72Å; I45-V80 HydrophobicContact CG1-CG1 4.29Å; L68-V80 HydrophobicContact CD2-CB 4.48Å; L68-V80 HydrophobicContact CD2-CG1 3.96Å; L68-V80 HydrophobicContact CD2-CG2 3.97Å; W71-V80 HydrophobicContact CE3-CG2 4.23Å; V80-Y127 HydrophobicContact CB-CE1 4.22Å; V80-Y127 HydrophobicContact CG2-CE1 3.55Å; V80-Y127 VanDerWaalsContact CG2-OH 3.3Å; V80-Y127 WeakPolarHBondContact CG2-OH 3.43Å; V80-P130 PolarHBondContact N-O 3.28Å; V80-Y131 HydrophobicContact CB-CD2 3.88Å; V80-Y131 HydrophobicContact CB-CE2 4.34Å; V80-Y131 HydrophobicContact CG1-CD2 3.74Å; V80-Y131 HydrophobicContact CG1-CE2 3.69Å; V80-Y131 CarbonylContact O-C 3.53Å; V80-Y131 WeakPolarHBondContact O-CA 3.41Å; V80-V132 PolarHBondContact O-N 3.02Å
81	I	98.9	Very high	97.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.1	169.1	-56.5	171.6	0	0	0	107.7	A42 A43 V44 I45 M79 V132 I134 L225 V226	A42-I81 HydrophobicContact CB-CD1 4.29Å; A43-I81 PolarHBondContact O-N 2.81Å; V44-I81 CarbonylContact C-O 3.57Å; V44-I81 WeakPolarHBondContact CA-O 3.31Å; I45-I81 PolarHBondContact N-O 2.9Å; M79-I81 HydrophobicContact SD-CD1 4.14Å; M79-I81 HydrophobicContact SD-CG1 4.07Å; I81-V132 CarbonylContact C-O 3.6Å; I81-V132 VanDerWaalsContact CA-O 3.31Å; I81-V132 WeakPolarHBondContact CA-O 3.42Å; I81-V132 HydrophobicContact CG1-CB 4.46Å; I81-I134 HydrophobicContact CG2-CD1 3.91Å; I81-I134 HydrophobicContact CG2-CG1 4.34Å; I81-L225 HydrophobicContact CD1-CB 3.82Å; I81-L225 HydrophobicContact CD1-CD1 4.15Å; I81-V226 HydrophobicContact CD1-CG2 4.38Å
82	I	98.9	Very high	97.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.6	168.3	-170.2	165.8	0	0	0	110	I45 M47 F90 Y131 V132 A133 I134 L146	I45-I82 HydrophobicContact CB-CB 4.18Å; I45-I82 HydrophobicContact CB-CD1 4.33Å; I45-I82 HydrophobicContact CB-CG1 3.92Å; I45-I82 HydrophobicContact CG2-CD1 3.94Å; I45-I82 HydrophobicContact CG2-CG1 3.91Å; I45-I82 CarbonylContact O-C 3.54Å; I45-I82 WeakPolarHBondContact O-CA 3.39Å; M47-I82 HydrophobicContact SD-CD1 4.47Å; I82-F90 HydrophobicContact CD1-CZ 4.14Å; I82-F90 HydrophobicContact CG1-CE2 4Å; I82-F90 HydrophobicContact CG1-CZ 4Å; I82-F90 HydrophobicContact CG2-CE2 4.21Å; I82-F90 HydrophobicContact CG2-CZ 4.05Å; I82-Y131 WeakPolarHBondContact CD1-OH 3.41Å; I82-Y131 HydrophobicContact CG2-CE1 3.62Å; I82-Y131 VanDerWaalsContact CG2-OH 3.23Å; I82-Y131 WeakPolarHBondContact CG2-OH 3.44Å; I82-V132 PolarHBondContact N-O 3.09Å; I82-A133 VanDerWaalsContact CG2-CA 3.48Å; I82-A133 HydrophobicContact CG2-CB 3.53Å; I82-I134 PolarHBondContact O-N 3.32Å; I82-L146 HydrophobicContact CD1-CB 4.27Å; I82-L146 HydrophobicContact CD1-CD1 4.39Å
83	K	98.8	Very high	97.6	Very high	49 Å²	49	35 Å²	35	21%	0.213	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	-177	179.6	63.9	175.4	-73.3	175.1	0	110.3	V44 I45 T46 M47 I134 E222	V44-K83 HydrophobicContact CG1-CD 4.22Å; V44-K83 HydrophobicContact CG1-CG 4.32Å; I45-K83 PolarHBondContact O-N 2.71Å; T46-K83 WeakPolarHBondContact CA-O 3.28Å; T46-K83 HydrophobicContact CG2-CG 4.41Å; M47-K83 PolarHBondContact N-O 3.49Å; K83-I134 HydrophobicContact CB-CB 4.4Å; K83-E222 WeakPolarHBondContact CD-OE1 3.06Å; K83-E222 WeakPolarHBondContact CE-OE1 3.23Å; K83-E222 IonicContact NZ-OE1 2.79Å; K83-E222 PolarHBondContact NZ-OE1 3.44Å; K83-E222 IonicContact NZ-OE2 2.89Å; K83-E222 PolarHBondContact NZ-OE2 2.95Å
84	A	98.4	Very high	97.6	Very high	21 Å²	21	31.3 Å²	31.3	17%	0.174	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	148.4	-179.3	0	0	0	0	0	113.1	M47 A89 F90	M47-A84 HydrophobicContact CB-CB 3.97Å; A84-A89 WeakPolarHBondContact CB-O 3.22Å; A84-F90 HydrophobicContact CB-CD2 4.17Å; A84-F90 VanDerWaalsContact CB-O 3.22Å; A84-F90 WeakPolarHBondContact CB-O 3.41Å
85	A	97.5	Very high	97.5	Very high	25 Å²	25	31 Å²	31	21%	0.207	20%	0.2	C	C	.	.	S	Bend	trans	-79.6	152.6	171.3	0	0	0	0	0	111.3	T46 M47 N48 N54	T46-A85 HydrophobicContact CG2-CB 4.12Å; M47-A85 PolarHBondContact O-N 2.99Å; N48-A85 WeakPolarHBondContact OD1-CB 3.48Å; N54-A85 PolarHBondContact ND2-O 2.77Å
86	G	95.4	Very high	97.5	Very high	65 Å²	65	27.5 Å²	27.5	67%	0.67	18%	0.175	S	C	*	.	S	Bend	trans	89.4	-7	168.9	0	0	0	0	0	116.9	K88	G86-K88 PolarHBondContact O-N 3.39Å
87	G	92.6	Very high	97.3	Very high	38 Å²	38	29.9 Å²	29.9	39%	0.392	18%	0.18	S	C	.	.	S	Bend	trans	65.3	-2.1	167.1	0	0	0	0	0	117.7
88	K	97.7	Very high	97.1	Very high	139 Å²	139	31.9 Å²	31.9	60%	0.604	20%	0.196	S	C	*	.	S	Bend	trans	-93.5	-38.7	177.5	-177.8	176.1	176.9	-178	0	112.7	L53 G86 I138	L53-K88 HydrophobicContact CD2-CD 3.6Å; L53-K88 HydrophobicContact CD2-CG 4.03Å; G86-K88 PolarHBondContact O-N 3.39Å; K88-I138 PolarHBondContact O-N 2.92Å; K88-I138 VanDerWaalsContact O-N 3.15Å
89	A	98.6	Very high	97	Very high	1 Å²	1	31 Å²	31	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.2	-176	0	0	0	0	0	109.7	L53 N54 A84 I138	L53-A89 HydrophobicContact CB-CB 3.78Å; L53-A89 HydrophobicContact CD2-CB 4.28Å; L53-A89 WeakPolarHBondContact O-CB 3.36Å; N54-A89 PolarHBondContact ND2-O 2.87Å; A84-A89 WeakPolarHBondContact CB-O 3.22Å; A89-I138 HydrophobicContact CB-CB 3.91Å
90	F	98.9	Very high	96.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	-59.7	161.8	169.7	-103.7	0	0	0	108.9	N54 I82 A84 I134 I135 D136 I138 T139 G143 L146	N54-F90 WeakPolarHBondContact CB-O 3.46Å; I82-F90 HydrophobicContact CD1-CZ 4.14Å; I82-F90 HydrophobicContact CG1-CE2 4Å; I82-F90 HydrophobicContact CG1-CZ 4Å; I82-F90 HydrophobicContact CG2-CE2 4.21Å; I82-F90 HydrophobicContact CG2-CZ 4.05Å; A84-F90 HydrophobicContact CB-CD2 4.17Å; A84-F90 VanDerWaalsContact CB-O 3.22Å; A84-F90 WeakPolarHBondContact CB-O 3.41Å; F90-I134 WeakPolarHBondContact CD2-O 3.43Å; F90-I135 HydrophobicContact CD1-CG2 3.9Å; F90-I135 HydrophobicContact CD2-CG2 4.32Å; F90-I135 HydrophobicContact CE1-CG2 4.02Å; F90-I135 HydrophobicContact CE2-CG2 4.42Å; F90-I135 HydrophobicContact CG-CB 4.32Å; F90-I135 HydrophobicContact CG-CG2 4.06Å; F90-I135 HydrophobicContact CZ-CG2 4.28Å; F90-D136 PolarHBondContact N-O 3.04Å; F90-I138 PolarHBondContact N-O 3.07Å; F90-T139 HydrophobicContact CD1-CG2 4Å; F90-G143 WeakPolarHBondContact CE1-O 3.35Å; F90-L146 HydrophobicContact CE1-CB 4.26Å; F90-L146 HydrophobicContact CZ-CB 4.4Å
91	C	98.8	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	122.2	172.9	172.5	0	0	0	0	108.3	M47 N54 G93 I138 T139 M140 G143	M47-C91 HydrophobicContact CE-CB 4.23Å; N54-C91 PolarHBondContact O-SG 3.42Å; C91-G93 VanDerWaalsContact C-N 3.28Å; C91-G93 PolarHBondContact O-N 2.77Å; C91-G93 PolarHBondContact SG-O 3.37Å; C91-I138 CarbonylContact C-O 3.43Å; C91-I138 PolarHBondContact N-O 2.96Å; C91-I138 VanDerWaalsContact N-O 3.09Å; C91-T139 WeakPolarHBondContact O-CA 3.42Å; C91-M140 PolarHBondContact O-N 3.39Å; C91-G143 VanDerWaalsContact CB-CA 3.48Å; C91-G143 WeakPolarHBondContact SG-CA 3.35Å; C91-G143 PolarHBondContact SG-N 3.19Å
92	A	97.7	Very high	96.3	Very high	35 Å²	35	35.5 Å²	35.5	29%	0.289	21%	0.214	S	C	.	.			trans	-85.5	7.5	-176.8	0	0	0	0	0	114.8	L53 I138 M140	L53-A92 HydrophobicContact CB-CB 3.57Å; L53-A92 HydrophobicContact CD1-CB 4.15Å; L53-A92 PolarHBondContact O-N 2.91Å; A92-I138 HydrophobicContact CB-CG2 3.91Å; A92-M140 CarbonylContact C-O 3.55Å
93	G	97.4	Very high	96	Very high	7 Å²	7	36.3 Å²	36.3	7%	0.072	22%	0.222	C	C	.	.			trans	129.1	-177.7	-180	0	0	0	0	0	112.7	A55 L56 C91 M140	A55-G93 CarbonylContact C-O 3.55Å; A55-G93 VanDerWaalsContact CA-O 3.23Å; A55-G93 WeakPolarHBondContact CA-O 3.39Å; L56-G93 PolarHBondContact N-O 2.64Å; C91-G93 VanDerWaalsContact C-N 3.28Å; C91-G93 PolarHBondContact O-N 2.77Å; C91-G93 PolarHBondContact SG-O 3.37Å; G93-M140 WeakPolarHBondContact CA-O 3.23Å; G93-M140 PolarHBondContact N-O 3.21Å; G93-M140 VanDerWaalsContact N-O 3.1Å
94	G	97.2	Very high	95.6	Very high	14 Å²	14	39.5 Å²	39.5	14%	0.144	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-65.9	155.8	167	0	0	0	0	0	111.6	L56 I96	L56-G94 CarbonylContact O-C 3.58Å; L56-G94 WeakPolarHBondContact O-CA 3.38Å; G94-I96 PolarHBondContact O-N 3.34Å
95	D	96	Very high	95.3	Very high	33 Å²	33	44 Å²	44	18%	0.176	26%	0.262	C	S	.	.			trans	-74.9	61.9	172.6	-159	-23	0	0	0	109.9	R49 A55 L56 N57 R97 A98 V99	R49-D95 IonicContact CZ-OD2 2.82Å; R49-D95 IonicContact NH1-OD2 3.93Å; R49-D95 PolarHBondContact NH1-OD2 3.3Å; R49-D95 IonicContact NH2-OD2 2.82Å; R49-D95 PolarHBondContact NH2-OD2 2.93Å; A55-D95 HydrophobicContact CB-CB 4.45Å; L56-D95 PolarHBondContact O-N 2.81Å; N57-D95 HydrophobicContact CB-CB 3.98Å; D95-R97 PolarHBondContact O-N 2.65Å; D95-R97 VanDerWaalsContact O-N 3.12Å; D95-A98 HydrophobicContact CB-CB 4.5Å; D95-A98 WeakPolarHBondContact O-CB 3.19Å; D95-A98 PolarHBondContact O-N 3.17Å; D95-V99 PolarHBondContact O-N 3.23Å
96	I	95.1	Very high	95	Very high	22 Å²	22	46.1 Å²	46.1	11%	0.113	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-19.9	-173.6	60.6	174.8	0	0	0	112.4	G94 V99 T100 I168 F338 V342 L346	G94-I96 PolarHBondContact O-N 3.34Å; I96-V99 PolarHBondContact O-N 2.84Å; I96-T100 WeakPolarHBondContact O-CB 3.37Å; I96-T100 PolarHBondContact O-N 2.89Å; I96-T100 PolarHBondContact O-OG1 3.2Å; I96-I168 HydrophobicContact CD1-CD1 3.29Å; I96-F338 HydrophobicContact CB-CE2 4.36Å; I96-F338 HydrophobicContact CB-CZ 4.2Å; I96-V342 HydrophobicContact CD1-CG2 3.82Å; I96-V342 HydrophobicContact CG1-CG2 4.22Å; I96-L346 HydrophobicContact CD1-CD1 3.59Å; I96-L346 HydrophobicContact CG1-CD1 3.53Å
97	R	93.6	Very high	94.9	Very high	155 Å²	155	47 Å²	47	59%	0.585	28%	0.275	S	S	*	.	H	α-helix	trans	-62	-45.5	170.5	-177.2	177.9	177.9	-125.3	-0.7	110.7	D95 V99 T100 E101	D95-R97 PolarHBondContact O-N 2.65Å; D95-R97 VanDerWaalsContact O-N 3.12Å; R97-V99 VanDerWaalsContact C-N 3.33Å; R97-T100 PolarHBondContact O-N 2.72Å; R97-E101 WeakPolarHBondContact O-CG 3.19Å; R97-E101 PolarHBondContact O-N 3.39Å; R97-E101 VanDerWaalsContact O-N 3.07Å
98	A	93.1	Very high	94.8	Very high	42 Å²	42	48.4 Å²	48.4	35%	0.347	28%	0.279	S	S	.	.	H	α-helix	trans	-64.8	-39.3	176	0	0	0	0	0	111.5	D95 E101 A102	D95-A98 HydrophobicContact CB-CB 4.5Å; D95-A98 WeakPolarHBondContact O-CB 3.19Å; D95-A98 PolarHBondContact O-N 3.17Å; A98-E101 PolarHBondContact O-N 3.08Å; A98-A102 WeakPolarHBondContact O-CB 3.38Å; A98-A102 PolarHBondContact O-N 3.37Å
99	V	94.6	Very high	94.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-45.7	174.7	176.3	0	0	0	0	111.4	D95 I96 R97 A102 G103 L109 A110 F113 F114 M333 F338	D95-V99 PolarHBondContact O-N 3.23Å; I96-V99 PolarHBondContact O-N 2.84Å; R97-V99 VanDerWaalsContact C-N 3.33Å; V99-A102 PolarHBondContact O-N 2.85Å; V99-G103 PolarHBondContact O-N 3.42Å; V99-L109 HydrophobicContact CG2-CD2 4.33Å; V99-A110 HydrophobicContact CG1-CB 4.17Å; V99-F113 HydrophobicContact CG2-CB 4.07Å; V99-F113 HydrophobicContact CG2-CD1 3.62Å; V99-F113 HydrophobicContact CG2-CD2 4.35Å; V99-F113 HydrophobicContact CG2-CE1 4.19Å; V99-F113 HydrophobicContact CG2-CG 3.72Å; V99-F114 HydrophobicContact CG1-CE2 3.81Å; V99-F114 HydrophobicContact CG1-CZ 4.29Å; V99-M333 HydrophobicContact CG1-SD 3.83Å; V99-F338 HydrophobicContact CB-CZ 4.45Å; V99-F338 HydrophobicContact CG1-CE1 4.11Å; V99-F338 HydrophobicContact CG1-CZ 4.02Å
100	T	94.4	Very high	94.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.6	-46.4	176.9	-62	0	0	0	0	111.8	I96 R97 G103 K104 F338 Y339 V342	I96-T100 WeakPolarHBondContact O-CB 3.37Å; I96-T100 PolarHBondContact O-N 2.89Å; I96-T100 PolarHBondContact O-OG1 3.2Å; R97-T100 PolarHBondContact O-N 2.72Å; T100-G103 PolarHBondContact O-N 2.97Å; T100-K104 WeakPolarHBondContact O-CG 3.4Å; T100-K104 PolarHBondContact O-N 3.3Å; T100-K104 VanDerWaalsContact O-N 3.08Å; T100-F338 WeakPolarHBondContact OG1-CE1 3.22Å; T100-Y339 HydrophobicContact CG2-CD1 3.71Å; T100-Y339 HydrophobicContact CG2-CE1 4.44Å; T100-V342 HydrophobicContact CG2-CB 4.32Å; T100-V342 HydrophobicContact CG2-CG1 4.09Å; T100-V342 WeakPolarHBondContact OG1-CG1 3.15Å; T100-V342 WeakPolarHBondContact OG1-CG2 3.3Å
101	E	94.2	Very high	93.8	Very high	88 Å²	88	49 Å²	49	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-66.4	-40.3	179.7	-65.9	-51.6	125	0	0	112	R97 A98 K104	R97-E101 WeakPolarHBondContact O-CG 3.19Å; R97-E101 PolarHBondContact O-N 3.39Å; R97-E101 VanDerWaalsContact O-N 3.07Å; A98-E101 PolarHBondContact O-N 3.08Å; E101-K104 IonicContact OE1-NZ 3Å; E101-K104 PolarHBondContact OE1-NZ 2.85Å; E101-K104 IonicContact OE2-NZ 3.6Å
102	A	93	Very high	93.7	Very high	10 Å²	10	51 Å²	51	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-46	172.5	0	0	0	0	0	112.3	A98 V99 K104 V105 G106 D107 L109 A110	A98-A102 WeakPolarHBondContact O-CB 3.38Å; A98-A102 PolarHBondContact O-N 3.37Å; V99-A102 PolarHBondContact O-N 2.85Å; A102-K104 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 2.75Å; A102-V105 WeakPolarHBondContact O-CG2 3.4Å; A102-V105 PolarHBondContact O-N 2.86Å; A102-G106 PolarHBondContact O-N 2.86Å; A102-G106 VanDerWaalsContact O-N 3.1Å; A102-D107 HydrophobicContact CB-CB 3.93Å; A102-D107 PolarHBondContact O-N 2.96Å; A102-L109 HydrophobicContact CB-CB 3.86Å; A102-L109 HydrophobicContact CB-CD2 3.77Å; A102-L109 HydrophobicContact CB-CG 4.3Å; A102-A110 HydrophobicContact CB-CB 4.33Å
103	G	92.4	Very high	93.8	Very high	17 Å²	17	49.4 Å²	49.4	18%	0.175	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-38.9	-179.5	0	0	0	0	0	113.2	V99 T100 V105 G106	V99-G103 PolarHBondContact O-N 3.42Å; T100-G103 PolarHBondContact O-N 2.97Å; G103-V105 PolarHBondContact O-N 3.3Å; G103-G106 PolarHBondContact O-N 3.39Å
104	K	90.9	Very high	93.8	Very high	116 Å²	116	49.1 Å²	49.1	50%	0.504	28%	0.28	S	S	.	.	H	α-helix	trans	-60.2	-29.6	177.5	-76	171.2	-178.6	167.2	0	113.7	T100 E101 A102 Y339	T100-K104 WeakPolarHBondContact O-CG 3.4Å; T100-K104 PolarHBondContact O-N 3.3Å; T100-K104 VanDerWaalsContact O-N 3.08Å; E101-K104 IonicContact OE1-NZ 3Å; E101-K104 PolarHBondContact OE1-NZ 2.85Å; E101-K104 IonicContact OE2-NZ 3.6Å; A102-K104 VanDerWaalsContact C-N 3.34Å; A102-K104 PolarHBondContact O-N 2.75Å; K104-Y339 HydrophobicContact CG-CD1 4.08Å; K104-Y339 HydrophobicContact CG-CE1 4.23Å
105	V	93.5	Very high	93.9	Very high	117 Å²	117	51.5 Å²	51.5	71%	0.709	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	4.2	-179.4	-58.2	0	0	0	0	113	A102 G103 D107	A102-V105 WeakPolarHBondContact O-CG2 3.4Å; A102-V105 PolarHBondContact O-N 2.86Å; G103-V105 PolarHBondContact O-N 3.3Å; V105-D107 VanDerWaalsContact C-N 3.35Å; V105-D107 HydrophobicContact CG2-CB 4.06Å
106	G	90.3	Very high	94	Very high	68 Å²	68	51.8 Å²	51.8	70%	0.701	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	24.7	179.5	0	0	0	0	0	114.6	A102 G103	A102-G106 PolarHBondContact O-N 2.86Å; A102-G106 VanDerWaalsContact O-N 3.1Å; G103-G106 PolarHBondContact O-N 3.39Å
107	D	93.4	Very high	94.2	Very high	84 Å²	84	50.9 Å²	50.9	45%	0.449	28%	0.28	S	S	.	.			trans	-71.8	143.2	177.1	-172.2	-63.5	0	0	0	111.1	A102 V105 L109 A110	A102-D107 HydrophobicContact CB-CB 3.93Å; A102-D107 PolarHBondContact O-N 2.96Å; V105-D107 VanDerWaalsContact C-N 3.35Å; V105-D107 HydrophobicContact CG2-CB 4.06Å; D107-L109 PolarHBondContact O-N 3.18Å; D107-L109 WeakPolarHBondContact OD1-CB 3.34Å; D107-L109 PolarHBondContact OD1-N 3.47Å; D107-A110 PolarHBondContact O-N 3.02Å
108	S	91	Very high	94.5	Very high	68 Å²	68	43.5 Å²	43.5	48%	0.476	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.6	-177.1	74.9	0	0	0	0	113.1	A110 Q111 D112	S108-A110 PolarHBondContact O-N 2.95Å; S108-A110 VanDerWaalsContact O-N 3.1Å; S108-Q111 WeakPolarHBondContact O-CA 3.38Å; S108-Q111 PolarHBondContact O-N 3.29Å; S108-D112 WeakPolarHBondContact CB-OD2 3.38Å; S108-D112 VanDerWaalsContact O-CG 3.32Å; S108-D112 PolarHBondContact O-N 3.46Å; S108-D112 PolarHBondContact OG-OD2 2.9Å
109	L	92.4	Very high	94.7	Very high	50 Å²	50	43.9 Å²	43.9	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-50.5	-38.4	178.6	-177.8	154.8	0	0	0	112.2	L58 V99 A102 D107 Q111 D112 F113	L58-L109 HydrophobicContact CD2-CG 4.13Å; V99-L109 HydrophobicContact CG2-CD2 4.33Å; A102-L109 HydrophobicContact CB-CB 3.86Å; A102-L109 HydrophobicContact CB-CD2 3.77Å; A102-L109 HydrophobicContact CB-CG 4.3Å; D107-L109 PolarHBondContact O-N 3.18Å; D107-L109 WeakPolarHBondContact OD1-CB 3.34Å; D107-L109 PolarHBondContact OD1-N 3.47Å; L109-Q111 PolarHBondContact O-N 3.42Å; L109-D112 PolarHBondContact O-N 3.47Å; L109-F113 WeakPolarHBondContact O-CB 3.27Å; L109-F113 PolarHBondContact O-N 3.41Å
110	A	87.6	Confident	94.9	Very high	5 Å²	5	43.8 Å²	43.8	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-29.9	179.8	0	0	0	0	0	112.8	V99 A102 D107 S108 F114	V99-A110 HydrophobicContact CG1-CB 4.17Å; A102-A110 HydrophobicContact CB-CB 4.33Å; D107-A110 PolarHBondContact O-N 3.02Å; S108-A110 PolarHBondContact O-N 2.95Å; S108-A110 VanDerWaalsContact O-N 3.1Å; A110-F114 VanDerWaalsContact O-CD2 3.27Å; A110-F114 WeakPolarHBondContact O-CD2 3.15Å
111	Q	93.6	Very high	95.1	Very high	96 Å²	96	43.8 Å²	43.8	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-87.9	-45.9	176.3	-52	-170.5	-8.3	0	0	111.2	S108 L109 F113 F114 R115 Q330	S108-Q111 WeakPolarHBondContact O-CA 3.38Å; S108-Q111 PolarHBondContact O-N 3.29Å; L109-Q111 PolarHBondContact O-N 3.42Å; Q111-F113 VanDerWaalsContact C-N 3.27Å; Q111-F113 PolarHBondContact O-N 3.36Å; Q111-F114 PolarHBondContact O-N 3.32Å; Q111-R115 WeakPolarHBondContact O-CB 3.09Å; Q111-R115 PolarHBondContact O-N 2.86Å; Q111-R115 VanDerWaalsContact O-N 3.11Å; Q111-Q330 VanDerWaalsContact CG-OE1 3.3Å
112	D	97.1	Very high	95.4	Very high	42 Å²	42	41.5 Å²	41.5	23%	0.225	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-37	-177.3	-64.6	-22.8	0	0	0	111.4	L58 R62 S108 L109 R115 E116	L58-D112 HydrophobicContact CD2-CB 4.14Å; R62-D112 IonicContact NH2-OD2 3.98Å; S108-D112 WeakPolarHBondContact CB-OD2 3.38Å; S108-D112 VanDerWaalsContact O-CG 3.32Å; S108-D112 PolarHBondContact O-N 3.46Å; S108-D112 PolarHBondContact OG-OD2 2.9Å; L109-D112 PolarHBondContact O-N 3.47Å; D112-R115 PolarHBondContact O-N 2.92Å; D112-E116 WeakPolarHBondContact O-CB 3.3Å; D112-E116 WeakPolarHBondContact O-CG 3.33Å; D112-E116 PolarHBondContact O-N 2.93Å
113	F	98.4	Very high	95.6	Very high	3 Å²	3	41.7 Å²	41.7	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-56.3	-60.1	177.3	-180	-94.3	0	0	0	112.2	L56 L58 I61 V99 L109 Q111 R115 E116 E117	L56-F113 WeakPolarHBondContact O-CE2 3.46Å; L58-F113 HydrophobicContact CB-CD2 4.26Å; I61-F113 HydrophobicContact CD1-CD2 3.86Å; I61-F113 HydrophobicContact CD1-CE2 3.57Å; I61-F113 HydrophobicContact CD1-CZ 4.2Å; V99-F113 HydrophobicContact CG2-CB 4.07Å; V99-F113 HydrophobicContact CG2-CD1 3.62Å; V99-F113 HydrophobicContact CG2-CD2 4.35Å; V99-F113 HydrophobicContact CG2-CE1 4.19Å; V99-F113 HydrophobicContact CG2-CG 3.72Å; L109-F113 WeakPolarHBondContact O-CB 3.27Å; L109-F113 PolarHBondContact O-N 3.41Å; Q111-F113 VanDerWaalsContact C-N 3.27Å; Q111-F113 PolarHBondContact O-N 3.36Å; F113-R115 VanDerWaalsContact C-N 3.32Å; F113-R115 PolarHBondContact O-N 3Å; F113-E116 PolarHBondContact O-N 2.87Å; F113-E117 WeakPolarHBondContact CE1-OE2 3.46Å; F113-E117 WeakPolarHBondContact O-CB 3.21Å; F113-E117 PolarHBondContact O-N 2.84Å
114	F	98.5	Very high	95.9	Very high	1 Å²	1	41 Å²	41	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-64.5	-38.4	-179.2	-69	-68	0	0	0	111.9	V99 A110 Q111 Y118 L170 Y326 M333	V99-F114 HydrophobicContact CG1-CE2 3.81Å; V99-F114 HydrophobicContact CG1-CZ 4.29Å; A110-F114 VanDerWaalsContact O-CD2 3.27Å; A110-F114 WeakPolarHBondContact O-CD2 3.15Å; Q111-F114 PolarHBondContact O-N 3.32Å; F114-Y118 HydrophobicContact CB-CE1 4.46Å; F114-Y118 HydrophobicContact CB-CE2 4.22Å; F114-Y118 HydrophobicContact CD1-CE1 4.03Å; F114-Y118 AromaticContact CD1-CZ 3.78Å; F114-Y118 VanDerWaalsContact CD1-OH 3.29Å; F114-Y118 WeakPolarHBondContact CD1-OH 3.43Å; F114-Y118 WeakPolarHBondContact O-CB 3.23Å; F114-Y118 WeakPolarHBondContact O-CD1 3.31Å; F114-Y118 WeakPolarHBondContact O-CD2 3.42Å; F114-Y118 PolarHBondContact O-N 3.13Å; F114-L170 HydrophobicContact CE1-CD2 4.29Å; F114-L170 HydrophobicContact CZ-CD2 4.31Å; F114-Y326 HydrophobicContact CB-CD2 4.35Å; F114-Y326 HydrophobicContact CB-CE2 4.34Å; F114-M333 HydrophobicContact CE2-CE 3.86Å; F114-M333 HydrophobicContact CE2-CG 4.19Å; F114-M333 HydrophobicContact CE2-SD 3.88Å; F114-M333 HydrophobicContact CZ-CE 4.18Å
115	R	98.7	Very high	96.3	Very high	64 Å²	64	37.2 Å²	37.2	24%	0.242	22%	0.223	C	C	.	.	H	α-helix	trans	-58.1	-53.4	178.1	-175.6	-179.6	-64.8	-78.4	3.2	110.8	Q111 D112 F113 M119 Y326 K378 D379 L380	Q111-R115 WeakPolarHBondContact O-CB 3.09Å; Q111-R115 PolarHBondContact O-N 2.86Å; Q111-R115 VanDerWaalsContact O-N 3.11Å; D112-R115 PolarHBondContact O-N 2.92Å; F113-R115 VanDerWaalsContact C-N 3.32Å; F113-R115 PolarHBondContact O-N 3Å; R115-M119 VanDerWaalsContact O-CG 3.3Å; R115-M119 WeakPolarHBondContact O-CG 3.46Å; R115-M119 PolarHBondContact O-N 3.5Å; R115-M119 VanDerWaalsContact O-N 3.13Å; R115-Y326 HydrophobicContact CB-CD2 4.33Å; R115-Y326 HydrophobicContact CB-CE2 3.6Å; R115-Y326 HydrophobicContact CG-CE2 4.35Å; R115-Y326 PolarHBondContact NE-OH 3.38Å; R115-Y326 PolarHBondContact NH2-OH 2.93Å; R115-K378 PolarHBondContact NH2-O 3.02Å; R115-D379 PolarHBondContact NH1-O 3.11Å; R115-L380 HydrophobicContact CG-CD1 3.68Å
116	E	98.8	Very high	96.5	Very high	38 Å²	38	34.6 Å²	34.6	18%	0.178	21%	0.211	C	C	.	.	H	α-helix	trans	-75.4	-32.6	-175.3	-65.5	-176.8	-141.4	0	0	112.3	L58 I61 R62 D112 F113 M119 L120	L58-E116 HydrophobicContact CD1-CB 4.19Å; L58-E116 HydrophobicContact CD1-CG 4.38Å; I61-E116 HydrophobicContact CG2-CB 3.7Å; I61-E116 WeakPolarHBondContact CG2-O 3.26Å; R62-E116 WeakPolarHBondContact CG-OE2 3.37Å; R62-E116 IonicContact CZ-OE1 3.28Å; R62-E116 VanDerWaalsContact CZ-OE1 3.28Å; R62-E116 IonicContact NE-OE1 3Å; R62-E116 PolarHBondContact NE-OE1 3.17Å; R62-E116 IonicContact NE-OE2 3Å; R62-E116 PolarHBondContact NE-OE2 3.3Å; R62-E116 IonicContact NH2-OE1 2.71Å; R62-E116 PolarHBondContact NH2-OE1 3.09Å; D112-E116 WeakPolarHBondContact O-CB 3.3Å; D112-E116 WeakPolarHBondContact O-CG 3.33Å; D112-E116 PolarHBondContact O-N 2.93Å; F113-E116 PolarHBondContact O-N 2.87Å; E116-M119 PolarHBondContact O-N 2.99Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 PolarHBondContact O-N 3.45Å
117	E	98.9	Very high	96.9	Very high	3 Å²	3	31.9 Å²	31.9	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-46.8	172.2	-172.5	173.2	-148.2	0	0	110.6	L56 I61 F113 M119 L120 N121 G142 V174	L56-E117 HydrophobicContact CD2-CG 4.17Å; L56-E117 WeakPolarHBondContact CD2-OE1 3.32Å; I61-E117 HydrophobicContact CD1-CB 3.74Å; I61-E117 HydrophobicContact CD1-CG 4.25Å; F113-E117 WeakPolarHBondContact CE1-OE2 3.46Å; F113-E117 WeakPolarHBondContact O-CB 3.21Å; F113-E117 PolarHBondContact O-N 2.84Å; E117-M119 PolarHBondContact O-N 3.49Å; E117-L120 CarbonylContact O-C 3.55Å; E117-L120 WeakPolarHBondContact O-CA 3.33Å; E117-L120 WeakPolarHBondContact O-CB 3.33Å; E117-L120 PolarHBondContact O-N 2.98Å; E117-L120 VanDerWaalsContact O-N 3.08Å; E117-N121 PolarHBondContact O-N 3.13Å; E117-N121 PolarHBondContact O-OD1 3.45Å; E117-G142 WeakPolarHBondContact OE1-CA 3.24Å; E117-V174 HydrophobicContact CG-CG1 3.95Å
118	Y	98.9	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.6	-34.4	-178.7	-63.1	-3.4	0	0	0	112.1	F114 L120 N121 H122 D173 V174 L322 E325 Y326 L380	F114-Y118 HydrophobicContact CB-CE1 4.46Å; F114-Y118 HydrophobicContact CB-CE2 4.22Å; F114-Y118 HydrophobicContact CD1-CE1 4.03Å; F114-Y118 AromaticContact CD1-CZ 3.78Å; F114-Y118 VanDerWaalsContact CD1-OH 3.29Å; F114-Y118 WeakPolarHBondContact CD1-OH 3.43Å; F114-Y118 WeakPolarHBondContact O-CB 3.23Å; F114-Y118 WeakPolarHBondContact O-CD1 3.31Å; F114-Y118 WeakPolarHBondContact O-CD2 3.42Å; F114-Y118 PolarHBondContact O-N 3.13Å; Y118-L120 VanDerWaalsContact C-N 3.31Å; Y118-L120 PolarHBondContact O-N 2.83Å; Y118-N121 PolarHBondContact O-N 3Å; Y118-H122 PolarHBondContact O-N 3.08Å; Y118-D173 HydrophobicContact CE1-CB 4.27Å; Y118-D173 WeakPolarHBondContact OH-CB 3.35Å; Y118-D173 PolarHBondContact OH-OD2 2.83Å; Y118-D173 VanDerWaalsContact OH-OD2 3.14Å; Y118-V174 HydrophobicContact CD1-CG1 4.18Å; Y118-V174 HydrophobicContact CE1-CG1 3.85Å; Y118-L322 HydrophobicContact CD1-CD2 4.3Å; Y118-L322 HydrophobicContact CG-CD2 4.01Å; Y118-L322 WeakPolarHBondContact O-CD1 3.45Å; Y118-E325 HydrophobicContact CE2-CB 3.96Å; Y118-Y326 HydrophobicContact CD2-CD2 4.2Å; Y118-Y326 HydrophobicContact CE2-CD2 4.32Å; Y118-L380 HydrophobicContact CD2-CD2 4.23Å
119	M	98.8	Very high	97.4	Very high	50 Å²	50	34.8 Å²	34.8	25%	0.246	17%	0.174	C	C	.	.	H	α-helix	trans	-59.7	-42.8	168.6	-68.8	177.6	82.5	0	0	111.8	R115 E116 E117 H122 A123 L380 F382	R115-M119 VanDerWaalsContact O-CG 3.3Å; R115-M119 WeakPolarHBondContact O-CG 3.46Å; R115-M119 PolarHBondContact O-N 3.5Å; R115-M119 VanDerWaalsContact O-N 3.13Å; E116-M119 PolarHBondContact O-N 2.99Å; E117-M119 PolarHBondContact O-N 3.49Å; M119-H122 PolarHBondContact O-N 3.46Å; M119-A123 WeakPolarHBondContact O-CB 3.48Å; M119-A123 PolarHBondContact O-N 3.16Å; M119-L380 HydrophobicContact CG-CD1 3.96Å; M119-F382 HydrophobicContact CG-CD1 4.47Å; M119-F382 HydrophobicContact CG-CE1 4.41Å
120	L	98.9	Very high	97.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.3	-43	175	173.5	59.1	0	0	0	111.8	I61 I64 H65 L68 E116 E117 Y118 H122 A123 I124 L146	I61-L120 HydrophobicContact CB-CD2 4.48Å; I61-L120 HydrophobicContact CG1-CD2 4.27Å; I61-L120 HydrophobicContact CG2-CB 4.36Å; I61-L120 HydrophobicContact CG2-CD2 4.24Å; I64-L120 HydrophobicContact CB-CD1 4.44Å; I64-L120 HydrophobicContact CB-CD2 4.27Å; I64-L120 HydrophobicContact CG2-CD1 3.71Å; I64-L120 HydrophobicContact CG2-CD2 4.14Å; H65-L120 HydrophobicContact CB-CB 4.3Å; H65-L120 HydrophobicContact CB-CD1 4.08Å; L68-L120 HydrophobicContact CD1-CD1 3.56Å; E116-L120 WeakPolarHBondContact O-CB 3.42Å; E116-L120 PolarHBondContact O-N 3.45Å; E117-L120 CarbonylContact O-C 3.55Å; E117-L120 WeakPolarHBondContact O-CA 3.33Å; E117-L120 WeakPolarHBondContact O-CB 3.33Å; E117-L120 PolarHBondContact O-N 2.98Å; E117-L120 VanDerWaalsContact O-N 3.08Å; Y118-L120 VanDerWaalsContact C-N 3.31Å; Y118-L120 PolarHBondContact O-N 2.83Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H122 PolarHBondContact O-N 2.98Å; L120-A123 PolarHBondContact O-N 3.46Å; L120-I124 HydrophobicContact CD1-CD1 4.09Å; L120-I124 HydrophobicContact CD1-CG1 4.26Å; L120-I124 HydrophobicContact CG-CD1 4.17Å; L120-I124 WeakPolarHBondContact O-CG1 3.49Å; L120-I124 PolarHBondContact O-N 3.23Å; L120-L146 HydrophobicContact CD2-CD2 3.65Å; L120-L146 HydrophobicContact CG-CD2 4.14Å
121	N	98.9	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-42.4	177.6	-55.2	135	0	0	0	111.6	E117 Y118 I124 G125 G145 V174 L322	E117-N121 PolarHBondContact O-N 3.13Å; E117-N121 PolarHBondContact O-OD1 3.45Å; Y118-N121 PolarHBondContact O-N 3Å; N121-I124 PolarHBondContact O-N 2.81Å; N121-G125 PolarHBondContact O-N 2.9Å; N121-G145 WeakPolarHBondContact ND2-CA 3.35Å; N121-G145 PolarHBondContact ND2-O 2.89Å; N121-V174 WeakPolarHBondContact OD1-CB 3.22Å; N121-V174 WeakPolarHBondContact OD1-CG1 3.44Å; N121-L322 HydrophobicContact CB-CD1 4.41Å; N121-L322 HydrophobicContact CB-CD2 4.29Å
122	H	98.8	Very high	98.5	Very high	39 Å²	39	28.1 Å²	28.1	18%	0.181	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-47.6	173	176.5	-94.4	0	0	0	111.6	Y118 M119 L120 I124 G125 S126 L322 F382	Y118-H122 PolarHBondContact O-N 3.08Å; M119-H122 PolarHBondContact O-N 3.46Å; L120-H122 VanDerWaalsContact C-N 3.34Å; L120-H122 PolarHBondContact O-N 2.98Å; H122-I124 PolarHBondContact O-N 2.75Å; H122-G125 CarbonylContact O-C 3.5Å; H122-G125 PolarHBondContact O-N 3.3Å; H122-S126 PolarHBondContact O-N 2.94Å; H122-S126 PolarHBondContact O-OG 3.46Å; H122-S126 VanDerWaalsContact O-OG 3.13Å; H122-L322 HydrophobicContact CB-CD1 3.68Å; H122-F382 HydrophobicContact CB-CD1 3.62Å; H122-F382 HydrophobicContact CB-CE1 3.15Å; H122-F382 HydrophobicContact CB-CZ 3.95Å; H122-F382 AromaticContact CG-CD1 3.43Å; H122-F382 VanDerWaalsContact CG-CD1 3.43Å; H122-F382 AromaticContact CG-CE1 3.45Å; H122-F382 VanDerWaalsContact CG-CE1 3.45Å; H122-F382 AromaticContact ND1-CD1 3.5Å
123	A	98.7	Very high	98.6	Very high	14 Å²	14	26.1 Å²	26.1	12%	0.116	13%	0.131	C	C	.	.	H	α-helix	trans	-58.4	-35.7	178.7	0	0	0	0	0	112.5	M119 L120 Y127	M119-A123 WeakPolarHBondContact O-CB 3.48Å; M119-A123 PolarHBondContact O-N 3.16Å; L120-A123 PolarHBondContact O-N 3.46Å; A123-Y127 WeakPolarHBondContact O-CA 3.38Å; A123-Y127 WeakPolarHBondContact O-CB 3.42Å; A123-Y127 PolarHBondContact O-N 3.33Å; A123-Y127 VanDerWaalsContact O-N 3.16Å
124	I	98.8	Very high	98.6	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.015	13%	0.131	C	C	.	.	H	α-helix	trans	-68.5	-46.2	172.8	-66.7	166.9	0	0	0	110.7	L68 L120 N121 H122 S126 Y127 Y131 L146 H149	L68-I124 HydrophobicContact CD1-CG1 3.93Å; L120-I124 HydrophobicContact CD1-CD1 4.09Å; L120-I124 HydrophobicContact CD1-CG1 4.26Å; L120-I124 HydrophobicContact CG-CD1 4.17Å; L120-I124 WeakPolarHBondContact O-CG1 3.49Å; L120-I124 PolarHBondContact O-N 3.23Å; N121-I124 PolarHBondContact O-N 2.81Å; H122-I124 PolarHBondContact O-N 2.75Å; I124-S126 VanDerWaalsContact C-N 3.32Å; I124-S126 PolarHBondContact O-N 3.48Å; I124-Y127 WeakPolarHBondContact O-CB 3.36Å; I124-Y127 PolarHBondContact O-N 3.44Å; I124-Y131 HydrophobicContact CG1-CE2 4.1Å; I124-Y131 HydrophobicContact CG2-CD1 4.16Å; I124-Y131 HydrophobicContact CG2-CD2 4.48Å; I124-Y131 HydrophobicContact CG2-CE1 3.88Å; I124-Y131 HydrophobicContact CG2-CE2 4.23Å; I124-Y131 HydrophobicContact CG2-CG 4.44Å; I124-L146 HydrophobicContact CD1-CD2 3.87Å; I124-H149 HydrophobicContact CG2-CB 4.25Å
125	G	98.5	Very high	98.6	Very high	36 Å²	36	26.2 Å²	26.2	37%	0.371	13%	0.132	S	C	.	.	H	α-helix	trans	-66.7	-29.1	-179.2	0	0	0	0	0	114.7	N121 H122	N121-G125 PolarHBondContact O-N 2.9Å; H122-G125 CarbonylContact O-C 3.5Å; H122-G125 PolarHBondContact O-N 3.3Å
126	S	97.9	Very high	98.6	Very high	63 Å²	63	24.5 Å²	24.5	44%	0.441	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	8.3	177	71	0	0	0	0	113.6	H122 I124 R128	H122-S126 PolarHBondContact O-N 2.94Å; H122-S126 PolarHBondContact O-OG 3.46Å; H122-S126 VanDerWaalsContact O-OG 3.13Å; I124-S126 VanDerWaalsContact C-N 3.32Å; I124-S126 PolarHBondContact O-N 3.48Å; S126-R128 PolarHBondContact O-N 3.36Å
127	Y	98.3	Very high	98.6	Very high	11 Å²	11	22.8 Å²	22.8	4%	0.043	12%	0.12	C	C	.	.			trans	-63.8	132.6	-172.6	-155.2	-112.2	0	0	0	111.3	L68 W71 E72 V80 A123 I124 K129 Y131 R151	L68-Y127 HydrophobicContact CB-CE2 3.87Å; L68-Y127 HydrophobicContact CD2-CE2 3.97Å; L68-Y127 HydrophobicContact CG-CE2 4.45Å; L68-Y127 WeakPolarHBondContact O-CE2 3.5Å; L68-Y127 PolarHBondContact O-OH 3.12Å; L68-Y127 VanDerWaalsContact O-OH 3.13Å; W71-Y127 WeakPolarHBondContact CB-OH 3.37Å; E72-Y127 HydrophobicContact CB-CD2 4.49Å; E72-Y127 HydrophobicContact CB-CE2 3.71Å; E72-Y127 HydrophobicContact CG-CD2 4.4Å; E72-Y127 HydrophobicContact CG-CE2 4.04Å; E72-Y127 PolarHBondContact N-OH 3.13Å; V80-Y127 HydrophobicContact CB-CE1 4.22Å; V80-Y127 HydrophobicContact CG2-CE1 3.55Å; V80-Y127 VanDerWaalsContact CG2-OH 3.3Å; V80-Y127 WeakPolarHBondContact CG2-OH 3.43Å; A123-Y127 WeakPolarHBondContact O-CA 3.38Å; A123-Y127 WeakPolarHBondContact O-CB 3.42Å; A123-Y127 PolarHBondContact O-N 3.33Å; A123-Y127 VanDerWaalsContact O-N 3.16Å; I124-Y127 WeakPolarHBondContact O-CB 3.36Å; I124-Y127 PolarHBondContact O-N 3.44Å; Y127-K129 HydrophobicContact CD1-CB 4.3Å; Y127-K129 WeakPolarHBondContact CD1-O 3.47Å; Y127-K129 HydrophobicContact CE1-CB 3.97Å; Y127-Y131 HydrophobicContact CD1-CD2 4.37Å; Y127-R151 PolarHBondContact O-NH2 2.93Å
128	R	97.3	Very high	98.6	Very high	175 Å²	175	24.2 Å²	24.2	66%	0.66	13%	0.127	S	C	*	.	S	Bend	trans	-84.1	-19.3	-171.1	-71.2	-178.6	-76.5	171.8	-3.1	115.4	E72 S126 R151	E72-R128 HydrophobicContact CG-CB 4.08Å; E72-R128 WeakPolarHBondContact OE1-CB 3.43Å; E72-R128 WeakPolarHBondContact OE1-CG 3.3Å; E72-R128 PolarHBondContact OE1-N 3.28Å; E72-R128 IonicContact OE1-NE 3.43Å; E72-R128 PolarHBondContact OE1-NE 3.22Å; E72-R128 IonicContact OE2-CZ 2.73Å; E72-R128 VanDerWaalsContact OE2-CZ 3.31Å; E72-R128 IonicContact OE2-NE 3.71Å; E72-R128 PolarHBondContact OE2-NE 3.13Å; E72-R128 IonicContact OE2-NH2 3.46Å; E72-R128 PolarHBondContact OE2-NH2 3.22Å; S126-R128 PolarHBondContact O-N 3.36Å; R128-R151 VanDerWaalsContact CA-NH2 3.32Å; R128-R151 PolarHBondContact O-NH1 3.21Å; R128-R151 PolarHBondContact O-NH2 2.82Å
129	K	97.8	Very high	98.6	Very high	37 Å²	37	24.3 Å²	24.3	16%	0.161	13%	0.128	C	C	.	.	S	Bend	trans	-102.8	162.3	176.2	-65.4	178.1	-179.1	171.2	0	111.1	W71 E72 D74 T77 Y127 Y131	W71-K129 PolarHBondContact O-NZ 2.9Å; E72-K129 WeakPolarHBondContact O-CE 3.43Å; E72-K129 PolarHBondContact O-NZ 3.48Å; D74-K129 PolarHBondContact O-NZ 3.36Å; T77-K129 VanDerWaalsContact O-CD 3.22Å; T77-K129 WeakPolarHBondContact O-CD 3.35Å; T77-K129 VanDerWaalsContact O-CE 3.23Å; T77-K129 WeakPolarHBondContact O-CE 3.46Å; T77-K129 PolarHBondContact O-NZ 3.24Å; Y127-K129 HydrophobicContact CD1-CB 4.3Å; Y127-K129 WeakPolarHBondContact CD1-O 3.47Å; Y127-K129 HydrophobicContact CE1-CB 3.97Å; K129-Y131 PolarHBondContact O-N 3.27Å
130	P	98.5	Very high	98.6	Very high	10 Å²	10	23.3 Å²	23.3	7%	0.065	12%	0.123	C	C	.	.			trans	-50.3	128.7	171.8	-26.1	31.4	0	0	0	111.9	D78 M79 V80 F152 D233 V236	D78-P130 WeakPolarHBondContact O-CD 3.48Å; M79-P130 WeakPolarHBondContact CA-O 3.36Å; M79-P130 HydrophobicContact CB-CB 3.99Å; M79-P130 WeakPolarHBondContact CB-O 3.34Å; V80-P130 PolarHBondContact N-O 3.28Å; P130-F152 HydrophobicContact CB-CE2 4.45Å; P130-D233 WeakPolarHBondContact CG-OD1 3.33Å; P130-V236 HydrophobicContact CB-CG2 4.06Å; P130-V236 HydrophobicContact CG-CG2 4.34Å
131	Y	98.9	Very high	98.6	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.008	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	119.4	175.5	-173.8	-80.5	0	0	0	108.8	L68 V80 I82 I124 Y127 K129 A133 L146 F152	L68-Y131 HydrophobicContact CD2-CE2 4.23Å; V80-Y131 HydrophobicContact CB-CD2 3.88Å; V80-Y131 HydrophobicContact CB-CE2 4.34Å; V80-Y131 HydrophobicContact CG1-CD2 3.74Å; V80-Y131 HydrophobicContact CG1-CE2 3.69Å; V80-Y131 CarbonylContact O-C 3.53Å; V80-Y131 WeakPolarHBondContact O-CA 3.41Å; I82-Y131 WeakPolarHBondContact CD1-OH 3.41Å; I82-Y131 HydrophobicContact CG2-CE1 3.62Å; I82-Y131 VanDerWaalsContact CG2-OH 3.23Å; I82-Y131 WeakPolarHBondContact CG2-OH 3.44Å; I124-Y131 HydrophobicContact CG1-CE2 4.1Å; I124-Y131 HydrophobicContact CG2-CD1 4.16Å; I124-Y131 HydrophobicContact CG2-CD2 4.48Å; I124-Y131 HydrophobicContact CG2-CE1 3.88Å; I124-Y131 HydrophobicContact CG2-CE2 4.23Å; I124-Y131 HydrophobicContact CG2-CG 4.44Å; Y127-Y131 HydrophobicContact CD1-CD2 4.37Å; K129-Y131 PolarHBondContact O-N 3.27Å; Y131-A133 HydrophobicContact CE1-CB 4.18Å; Y131-L146 PolarHBondContact OH-O 3.12Å; Y131-F152 PolarHBondContact O-N 2.9Å
132	V	98.9	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	112.1	-176.1	-172.9	0	0	0	0	109.8	V80 I81 I82 F152 V154 L225 V236	V80-V132 PolarHBondContact O-N 3.02Å; I81-V132 CarbonylContact C-O 3.6Å; I81-V132 VanDerWaalsContact CA-O 3.31Å; I81-V132 WeakPolarHBondContact CA-O 3.42Å; I81-V132 HydrophobicContact CG1-CB 4.46Å; I82-V132 PolarHBondContact N-O 3.09Å; V132-F152 WeakPolarHBondContact CA-O 3.45Å; V132-F152 HydrophobicContact CB-CB 4.4Å; V132-F152 HydrophobicContact CG1-CB 4.24Å; V132-F152 HydrophobicContact CG2-CB 4.13Å; V132-F152 HydrophobicContact CG2-CD2 4.04Å; V132-F152 HydrophobicContact CG2-CG 4.44Å; V132-V154 HydrophobicContact CG1-CG2 4.05Å; V132-L225 HydrophobicContact CG1-CD1 4.16Å; V132-L225 HydrophobicContact CG2-CD2 4.49Å; V132-V236 HydrophobicContact CG2-CG1 3.8Å
133	A	98.9	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	116.6	172.9	0	0	0	0	0	111.2	I82 Y131 I135 F152 R153 V154	I82-A133 VanDerWaalsContact CG2-CA 3.48Å; I82-A133 HydrophobicContact CG2-CB 3.53Å; Y131-A133 HydrophobicContact CE1-CB 4.18Å; A133-I135 HydrophobicContact CB-CG2 4.14Å; A133-I135 PolarHBondContact O-N 2.81Å; A133-F152 PolarHBondContact N-O 2.84Å; A133-R153 HydrophobicContact CB-CG 4.46Å; A133-R153 CarbonylContact O-C 3.55Å; A133-R153 WeakPolarHBondContact O-CA 3.5Å; A133-V154 PolarHBondContact O-N 3.02Å
134	I	98.9	Very high	98.6	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.015	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	95.4	172.5	-56.2	175	0	0	0	107.8	I81 I82 K83 F90 D136 I218 E222	I81-I134 HydrophobicContact CG2-CD1 3.91Å; I81-I134 HydrophobicContact CG2-CG1 4.34Å; I82-I134 PolarHBondContact O-N 3.32Å; K83-I134 HydrophobicContact CB-CB 4.4Å; F90-I134 WeakPolarHBondContact CD2-O 3.43Å; I134-D136 HydrophobicContact CG2-CB 4.34Å; I134-D136 PolarHBondContact O-N 3.43Å; I134-D136 VanDerWaalsContact O-N 3.12Å; I134-I218 HydrophobicContact CD1-CG2 4.33Å; I134-I218 HydrophobicContact CG2-CD1 3.84Å; I134-I218 HydrophobicContact CG2-CG1 4.36Å; I134-I218 HydrophobicContact CG2-CG2 3.91Å; I134-E222 HydrophobicContact CD1-CG 3.59Å
135	I	98.9	Very high	98.6	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.112	C	C	.	.			trans	-90.2	48.6	-172.6	56	170.1	0	0	0	111.9	F90 A133 G137 T139 R153 V154 A155 T159 V203 A209	F90-I135 HydrophobicContact CD1-CG2 3.9Å; F90-I135 HydrophobicContact CD2-CG2 4.32Å; F90-I135 HydrophobicContact CE1-CG2 4.02Å; F90-I135 HydrophobicContact CE2-CG2 4.42Å; F90-I135 HydrophobicContact CG-CB 4.32Å; F90-I135 HydrophobicContact CG-CG2 4.06Å; F90-I135 HydrophobicContact CZ-CG2 4.28Å; A133-I135 HydrophobicContact CB-CG2 4.14Å; A133-I135 PolarHBondContact O-N 2.81Å; I135-G137 PolarHBondContact O-N 3.09Å; I135-T139 HydrophobicContact CB-CG2 4.25Å; I135-T139 HydrophobicContact CG2-CG2 4.1Å; I135-R153 HydrophobicContact CD1-CB 4.47Å; I135-V154 WeakPolarHBondContact CG1-O 3.33Å; I135-V154 PolarHBondContact N-O 3.26Å; I135-A155 HydrophobicContact CD1-CB 4.37Å; I135-A155 HydrophobicContact CG1-CB 4.38Å; I135-T159 HydrophobicContact CB-CG2 4.5Å; I135-T159 HydrophobicContact CD1-CG2 3.85Å; I135-T159 HydrophobicContact CG1-CG2 4.03Å; I135-T159 WeakPolarHBondContact O-CB 3.43Å; I135-T159 WeakPolarHBondContact O-CG2 3.47Å; I135-T159 PolarHBondContact O-OG1 3.1Å; I135-V203 HydrophobicContact CD1-CG1 4.47Å; I135-A209 HydrophobicContact CD1-CB 4.24Å
136	D	98.6	Very high	98.6	Very high	29 Å²	29	19.3 Å²	19.3	16%	0.155	9%	0.094	C	C	.	.			trans	-71.9	102.8	179.7	-172.9	31.9	0	0	0	111.3	F90 I134 T156 K158	F90-D136 PolarHBondContact N-O 3.04Å; I134-D136 HydrophobicContact CG2-CB 4.34Å; I134-D136 PolarHBondContact O-N 3.43Å; I134-D136 VanDerWaalsContact O-N 3.12Å; D136-T156 HydrophobicContact CB-CG2 3.78Å; D136-T156 WeakPolarHBondContact OD1-CB 3.34Å; D136-T156 WeakPolarHBondContact OD1-CG2 3.35Å; D136-T156 PolarHBondContact OD1-OG1 3.05Å; D136-K158 WeakPolarHBondContact OD1-CB 3.46Å; D136-K158 WeakPolarHBondContact OD1-CD 3.44Å
137	G	98.8	Very high	98.6	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	7%	0.074	C	C	.	.	S	Bend	trans	110.1	-162.1	-179.1	0	0	0	0	0	114.8	I135 T139 K158 T159 L160	I135-G137 PolarHBondContact O-N 3.09Å; G137-T139 PolarHBondContact O-N 2.87Å; G137-T139 PolarHBondContact O-OG1 3.32Å; G137-K158 CarbonylContact C-O 3.47Å; G137-K158 VanDerWaalsContact CA-O 3.32Å; G137-K158 WeakPolarHBondContact CA-O 3.31Å; G137-T159 VanDerWaalsContact O-CA 3.29Å; G137-T159 WeakPolarHBondContact O-CA 3.33Å; G137-L160 PolarHBondContact O-N 3.5Å; G137-L160 VanDerWaalsContact O-N 3.07Å
138	I	98.9	Very high	98.7	Very high	34 Å²	34	16.5 Å²	16.5	17%	0.174	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	124.9	178.8	-58.9	169.1	0	0	0	110.6	L53 K88 A89 F90 C91 A92 M140 L160	L53-I138 HydrophobicContact CD1-CD1 4.27Å; K88-I138 PolarHBondContact O-N 2.92Å; K88-I138 VanDerWaalsContact O-N 3.15Å; A89-I138 HydrophobicContact CB-CB 3.91Å; F90-I138 PolarHBondContact N-O 3.07Å; C91-I138 CarbonylContact C-O 3.43Å; C91-I138 PolarHBondContact N-O 2.96Å; C91-I138 VanDerWaalsContact N-O 3.09Å; A92-I138 HydrophobicContact CB-CG2 3.91Å; I138-M140 HydrophobicContact CG2-CE 4.1Å; I138-M140 HydrophobicContact CG2-CG 3.99Å; I138-M140 HydrophobicContact CG2-SD 3.99Å; I138-L160 HydrophobicContact CG1-CB 4.48Å; I138-L160 HydrophobicContact CG1-CD2 4.37Å
139	T	98.9	Very high	98.7	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.012	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	95.5	-178.7	-55.6	0	0	0	0	108.6	F90 C91 I135 G137 V144 L160 F161 A162	F90-T139 HydrophobicContact CD1-CG2 4Å; C91-T139 WeakPolarHBondContact O-CA 3.42Å; I135-T139 HydrophobicContact CB-CG2 4.25Å; I135-T139 HydrophobicContact CG2-CG2 4.1Å; G137-T139 PolarHBondContact O-N 2.87Å; G137-T139 PolarHBondContact O-OG1 3.32Å; T139-V144 HydrophobicContact CG2-CG2 4.15Å; T139-L160 PolarHBondContact N-O 3.22Å; T139-F161 WeakPolarHBondContact O-CA 3.37Å; T139-A162 PolarHBondContact O-N 3.34Å
140	M	98.8	Very high	98.8	Very high	28 Å²	28	7.6 Å²	7.6	14%	0.138	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	154	-174.1	-62.3	-179.5	178.9	0	0	111.1	C91 A92 G93 I138 G142 G143 L160 A162 R197	C91-M140 PolarHBondContact O-N 3.39Å; A92-M140 CarbonylContact C-O 3.55Å; G93-M140 WeakPolarHBondContact CA-O 3.23Å; G93-M140 PolarHBondContact N-O 3.21Å; G93-M140 VanDerWaalsContact N-O 3.1Å; I138-M140 HydrophobicContact CG2-CE 4.1Å; I138-M140 HydrophobicContact CG2-CG 3.99Å; I138-M140 HydrophobicContact CG2-SD 3.99Å; M140-G142 PolarHBondContact O-N 2.95Å; M140-G143 PolarHBondContact O-N 2.76Å; M140-L160 HydrophobicContact CE-CD2 3.74Å; M140-L160 HydrophobicContact CE-CG 3.87Å; M140-A162 VanDerWaalsContact CA-O 3.28Å; M140-A162 WeakPolarHBondContact CA-O 3.36Å; M140-A162 HydrophobicContact CE-CB 3.95Å; M140-A162 HydrophobicContact CG-CB 4.12Å; M140-A162 HydrophobicContact SD-CB 4.24Å; M140-R197 HydrophobicContact CE-CG 4.34Å
141	G	98.3	Very high	98.7	Very high	4 Å²	4	11.1 Å²	11.1	4%	0.041	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	-122.4	177.2	0	0	0	0	0	113.5	G143 V144 G145 E165 V174	G141-G143 PolarHBondContact O-N 3.29Å; G141-V144 WeakPolarHBondContact O-CA 3.46Å; G141-V144 WeakPolarHBondContact O-CB 3.47Å; G141-V144 PolarHBondContact O-N 2.92Å; G141-G145 PolarHBondContact O-N 3.47Å; G141-E165 WeakPolarHBondContact CA-OE1 3.11Å; G141-V174 WeakPolarHBondContact O-CG2 3.43Å
142	G	98.4	Very high	98.7	Very high	3 Å²	3	11.7 Å²	11.7	3%	0.031	6%	0.057	C	C	.	.	H	α-helix	trans	-48.5	-30.4	175	0	0	0	0	0	115.7	E117 M140 V144 G145 L146	E117-G142 WeakPolarHBondContact OE1-CA 3.24Å; M140-G142 PolarHBondContact O-N 2.95Å; G142-V144 VanDerWaalsContact C-N 3.33Å; G142-V144 PolarHBondContact O-N 2.92Å; G142-G145 PolarHBondContact O-N 3.36Å; G142-L146 WeakPolarHBondContact O-CG 3.15Å; G142-L146 PolarHBondContact O-N 3.33Å
143	G	98.7	Very high	98.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-66.5	-32.3	172.6	0	0	0	0	0	114	F90 C91 M140 G141 S147	F90-G143 WeakPolarHBondContact CE1-O 3.35Å; C91-G143 VanDerWaalsContact CB-CA 3.48Å; C91-G143 WeakPolarHBondContact SG-CA 3.35Å; C91-G143 PolarHBondContact SG-N 3.19Å; M140-G143 PolarHBondContact O-N 2.76Å; G141-G143 PolarHBondContact O-N 3.29Å; G143-S147 PolarHBondContact O-OG 3.47Å
144	V	98.9	Very high	98.7	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-67.3	-44.1	169.9	179.5	0	0	0	0	109.6	T139 G141 G142 L146 S147 V148 F161 M163 F179	T139-V144 HydrophobicContact CG2-CG2 4.15Å; G141-V144 WeakPolarHBondContact O-CA 3.46Å; G141-V144 WeakPolarHBondContact O-CB 3.47Å; G141-V144 PolarHBondContact O-N 2.92Å; G142-V144 VanDerWaalsContact C-N 3.33Å; G142-V144 PolarHBondContact O-N 2.92Å; V144-L146 PolarHBondContact O-N 3.15Å; V144-S147 PolarHBondContact O-N 3.27Å; V144-S147 PolarHBondContact O-OG 3.5Å; V144-S147 VanDerWaalsContact O-OG 3.06Å; V144-V148 HydrophobicContact CG1-CB 3.9Å; V144-V148 HydrophobicContact CG1-CG1 3.83Å; V144-V148 WeakPolarHBondContact O-CG1 3.47Å; V144-V148 PolarHBondContact O-N 3Å; V144-F161 HydrophobicContact CB-CE2 4.35Å; V144-F161 HydrophobicContact CG1-CE2 3.81Å; V144-F161 HydrophobicContact CG2-CD2 3.7Å; V144-F161 HydrophobicContact CG2-CE2 3.53Å; V144-M163 HydrophobicContact CB-SD 3.77Å; V144-M163 HydrophobicContact CG1-SD 3.9Å; V144-M163 HydrophobicContact CG2-SD 3.71Å; V144-F179 HydrophobicContact CG1-CE1 3.83Å; V144-F179 HydrophobicContact CG1-CZ 3.69Å
145	G	98.9	Very high	98.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-59.6	-30.4	176.3	0	0	0	0	0	114.7	N121 G141 G142 S147 H149	N121-G145 WeakPolarHBondContact ND2-CA 3.35Å; N121-G145 PolarHBondContact ND2-O 2.89Å; G141-G145 PolarHBondContact O-N 3.47Å; G142-G145 PolarHBondContact O-N 3.36Å; G145-S147 VanDerWaalsContact C-N 3.26Å; G145-S147 PolarHBondContact O-N 2.9Å; G145-H149 PolarHBondContact O-CD2 2.88Å
146	L	98.9	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-5.4	174.5	-69.5	177.8	0	0	0	114.1	M47 L56 I82 F90 L120 I124 Y131 G142 V144	M47-L146 HydrophobicContact CE-CD1 3.6Å; M47-L146 HydrophobicContact SD-CD1 4.08Å; L56-L146 HydrophobicContact CD1-CD1 4.2Å; L56-L146 HydrophobicContact CD2-CD1 3.99Å; L56-L146 HydrophobicContact CD2-CD2 4.2Å; L56-L146 HydrophobicContact CD2-CG 4.15Å; I82-L146 HydrophobicContact CD1-CB 4.27Å; I82-L146 HydrophobicContact CD1-CD1 4.39Å; F90-L146 HydrophobicContact CE1-CB 4.26Å; F90-L146 HydrophobicContact CZ-CB 4.4Å; L120-L146 HydrophobicContact CD2-CD2 3.65Å; L120-L146 HydrophobicContact CG-CD2 4.14Å; I124-L146 HydrophobicContact CD1-CD2 3.87Å; Y131-L146 PolarHBondContact OH-O 3.12Å; G142-L146 WeakPolarHBondContact O-CG 3.15Å; G142-L146 PolarHBondContact O-N 3.33Å; V144-L146 PolarHBondContact O-N 3.15Å
147	S	98.9	Very high	98.7	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.021	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	-53.5	-171.1	56.2	0	0	0	0	113.5	G143 V144 G145 H149 G150 R153	G143-S147 PolarHBondContact O-OG 3.47Å; V144-S147 PolarHBondContact O-N 3.27Å; V144-S147 PolarHBondContact O-OG 3.5Å; V144-S147 VanDerWaalsContact O-OG 3.06Å; G145-S147 VanDerWaalsContact C-N 3.26Å; G145-S147 PolarHBondContact O-N 2.9Å; S147-H149 PolarHBondContact O-N 3.42Å; S147-H149 VanDerWaalsContact O-N 3.12Å; S147-G150 WeakPolarHBondContact O-CA 3.33Å; S147-G150 PolarHBondContact O-N 3.49Å; S147-R153 WeakPolarHBondContact O-CD 3.46Å; S147-R153 WeakPolarHBondContact O-CG 3.37Å
148	V	98.8	Very high	98.7	Very high	13 Å²	13	18.7 Å²	18.7	8%	0.079	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.6	-166.9	76	0	0	0	0	113.9	V144 G150 F179	V144-V148 HydrophobicContact CG1-CB 3.9Å; V144-V148 HydrophobicContact CG1-CG1 3.83Å; V144-V148 WeakPolarHBondContact O-CG1 3.47Å; V144-V148 PolarHBondContact O-N 3Å; V148-G150 VanDerWaalsContact C-N 3.34Å; V148-F179 HydrophobicContact CG1-CD1 3.68Å; V148-F179 HydrophobicContact CG1-CE1 3.99Å; V148-F179 HydrophobicContact CG1-CG 4.04Å; V148-F179 HydrophobicContact CG2-CB 4.23Å; V148-F179 HydrophobicContact CG2-CD1 4.25Å; V148-F179 HydrophobicContact CG2-CD2 3.72Å; V148-F179 HydrophobicContact CG2-CE2 4.11Å; V148-F179 HydrophobicContact CG2-CG 3.81Å
149	H	98.8	Very high	98.7	Very high	23 Å²	23	17 Å²	17	11%	0.106	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-16.7	178.1	-53.8	-53.1	0	0	0	113.2	I124 G145 S147 V174 L318	I124-H149 HydrophobicContact CG2-CB 4.25Å; G145-H149 PolarHBondContact O-CD2 2.88Å; S147-H149 PolarHBondContact O-N 3.42Å; S147-H149 VanDerWaalsContact O-N 3.12Å; H149-V174 PolarHBondContact NE2-O 3.13Å; H149-L318 HydrophobicContact CB-CD2 4.33Å
150	G	98.3	Very high	98.7	Very high	2 Å²	2	19.3 Å²	19.3	2%	0.021	9%	0.089	C	C	.	.	S	Bend	trans	-69.5	154	174.3	0	0	0	0	0	112.1	S147 V148 F152 R153	S147-G150 WeakPolarHBondContact O-CA 3.33Å; S147-G150 PolarHBondContact O-N 3.49Å; V148-G150 VanDerWaalsContact C-N 3.34Å; G150-F152 VanDerWaalsContact C-N 3.34Å; G150-F152 PolarHBondContact O-N 3.23Å; G150-R153 VanDerWaalsContact O-CD 3.24Å; G150-R153 WeakPolarHBondContact O-CD 3.29Å
151	R	97.9	Very high	98.7	Very high	83 Å²	83	18 Å²	18	31%	0.313	8%	0.083	S	C	.	.	S	Bend	trans	-60.8	-42.5	-178.5	-66.6	178.3	-156.9	179.9	-4.6	112.5	Y127 R128 D233	Y127-R151 PolarHBondContact O-NH2 2.93Å; R128-R151 VanDerWaalsContact CA-NH2 3.32Å; R128-R151 PolarHBondContact O-NH1 3.21Å; R128-R151 PolarHBondContact O-NH2 2.82Å; R151-D233 VanDerWaalsContact CD-OD1 3.28Å; R151-D233 WeakPolarHBondContact CD-OD1 3.22Å; R151-D233 IonicContact CZ-OD1 3.76Å; R151-D233 IonicContact CZ-OD2 3.8Å; R151-D233 IonicContact NE-OD1 2.74Å; R151-D233 IonicContact NE-OD2 3.15Å; R151-D233 IonicContact NH1-OD1 3.69Å; R151-D233 PolarHBondContact NH1-OD1 2.83Å; R151-D233 IonicContact NH1-OD2 2.74Å; R151-D233 PolarHBondContact NH1-OD2 3.06Å
152	F	98.9	Very high	98.7	Very high	14 Å²	14	17.9 Å²	17.9	6%	0.061	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	128.4	-178.2	-54.5	-77.2	0	0	0	110.7	P130 Y131 V132 A133 G150 H211 D233 V236 L240	P130-F152 HydrophobicContact CB-CE2 4.45Å; Y131-F152 PolarHBondContact O-N 2.9Å; V132-F152 WeakPolarHBondContact CA-O 3.45Å; V132-F152 HydrophobicContact CB-CB 4.4Å; V132-F152 HydrophobicContact CG1-CB 4.24Å; V132-F152 HydrophobicContact CG2-CB 4.13Å; V132-F152 HydrophobicContact CG2-CD2 4.04Å; V132-F152 HydrophobicContact CG2-CG 4.44Å; A133-F152 PolarHBondContact N-O 2.84Å; G150-F152 VanDerWaalsContact C-N 3.34Å; G150-F152 PolarHBondContact O-N 3.23Å; F152-H211 AromaticContact CD1-CE1 3.97Å; F152-D233 HydrophobicContact CE2-CB 4.38Å; F152-D233 HydrophobicContact CZ-CB 4.03Å; F152-D233 VanDerWaalsContact CZ-O 3.25Å; F152-D233 WeakPolarHBondContact CZ-O 3.41Å; F152-V236 HydrophobicContact CD1-CG1 4.32Å; F152-V236 HydrophobicContact CD2-CB 4.29Å; F152-V236 HydrophobicContact CD2-CG1 3.58Å; F152-V236 HydrophobicContact CE1-CG1 4.35Å; F152-V236 HydrophobicContact CE2-CB 3.79Å; F152-V236 HydrophobicContact CE2-CG1 3.61Å; F152-V236 HydrophobicContact CG-CG1 3.96Å; F152-V236 HydrophobicContact CZ-CB 3.97Å; F152-V236 HydrophobicContact CZ-CG1 4.02Å; F152-L240 HydrophobicContact CB-CD1 3.71Å; F152-L240 HydrophobicContact CD1-CD1 3.65Å; F152-L240 HydrophobicContact CG-CD1 3.8Å
153	R	98.9	Very high	98.7	Very high	37 Å²	37	17.8 Å²	17.8	14%	0.14	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	116.1	172.7	-57.7	94.9	53.2	-170.2	-11.3	108.9	A133 I135 S147 G150 G207 V208 T210 H211	A133-R153 HydrophobicContact CB-CG 4.46Å; A133-R153 CarbonylContact O-C 3.55Å; A133-R153 WeakPolarHBondContact O-CA 3.5Å; I135-R153 HydrophobicContact CD1-CB 4.47Å; S147-R153 WeakPolarHBondContact O-CD 3.46Å; S147-R153 WeakPolarHBondContact O-CG 3.37Å; G150-R153 VanDerWaalsContact O-CD 3.24Å; G150-R153 WeakPolarHBondContact O-CD 3.29Å; R153-G207 PolarHBondContact NH2-O 3.17Å; R153-V208 PolarHBondContact NE-O 3.07Å; R153-V208 PolarHBondContact NH2-O 3.18Å; R153-T210 PolarHBondContact N-OG1 2.65Å; R153-T210 PolarHBondContact O-N 3.42Å; R153-T210 PolarHBondContact O-OG1 2.87Å; R153-H211 PolarHBondContact O-N 3.03Å
154	V	98.9	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	106.4	-176.1	-173.1	0	0	0	0	108.8	V132 A133 I135 V213 I218 L221 L240	V132-V154 HydrophobicContact CG1-CG2 4.05Å; A133-V154 PolarHBondContact O-N 3.02Å; I135-V154 WeakPolarHBondContact CG1-O 3.33Å; I135-V154 PolarHBondContact N-O 3.26Å; V154-V213 HydrophobicContact CG1-CB 3.85Å; V154-V213 HydrophobicContact CG1-CG2 3.69Å; V154-I218 HydrophobicContact CG1-CD1 4.36Å; V154-L221 HydrophobicContact CG1-CD2 4.09Å; V154-L240 HydrophobicContact CG2-CD1 4.14Å; V154-L240 HydrophobicContact CG2-CD2 3.62Å
155	A	98.8	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	157	170.9	0	0	0	0	0	111.3	I135 T159 V203 A209 H211 F212 V213	I135-A155 HydrophobicContact CD1-CB 4.37Å; I135-A155 HydrophobicContact CG1-CB 4.38Å; A155-T159 WeakPolarHBondContact CA-OG1 3.48Å; A155-T159 HydrophobicContact CB-CG2 4.17Å; A155-V203 HydrophobicContact CB-CB 4.44Å; A155-A209 HydrophobicContact CB-CB 3.58Å; A155-H211 PolarHBondContact N-O 3.44Å; A155-F212 HydrophobicContact CB-CD2 4.48Å; A155-F212 CarbonylContact O-C 3.6Å; A155-F212 WeakPolarHBondContact O-CA 3.46Å; A155-V213 PolarHBondContact O-N 3.46Å
156	T	98.8	Very high	98.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.			trans	-125	174.2	170.6	75.5	0	0	0	0	109.1	D136 K158 T159 G200 V213 I218	D136-T156 HydrophobicContact CB-CG2 3.78Å; D136-T156 WeakPolarHBondContact OD1-CB 3.34Å; D136-T156 WeakPolarHBondContact OD1-CG2 3.35Å; D136-T156 PolarHBondContact OD1-OG1 3.05Å; T156-K158 PolarHBondContact O-N 2.95Å; T156-K158 PolarHBondContact OG1-N 2.83Å; T156-T159 PolarHBondContact N-OG1 3.31Å; T156-T159 WeakPolarHBondContact O-CB 3.35Å; T156-T159 PolarHBondContact O-N 3.39Å; T156-T159 PolarHBondContact O-OG1 2.69Å; T156-T159 PolarHBondContact OG1-N 3.18Å; T156-G200 VanDerWaalsContact O-CA 3.3Å; T156-G200 WeakPolarHBondContact O-CA 3.14Å; T156-V213 VanDerWaalsContact CA-O 3.26Å; T156-V213 WeakPolarHBondContact CA-O 3.48Å; T156-V213 WeakPolarHBondContact CB-O 3.43Å; T156-V213 WeakPolarHBondContact CG2-O 3.47Å; T156-I218 HydrophobicContact CG2-CD1 3.95Å; T156-I218 HydrophobicContact CG2-CG1 3.96Å
157	E	98.4	Very high	98.7	Very high	51 Å²	51	21.1 Å²	21.1	24%	0.238	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-15.5	172.5	74.6	-73	174.7	0	0	114.3	K199 F212 E214 S215 L249	E157-K199 WeakPolarHBondContact O-CE 3.24Å; E157-F212 HydrophobicContact CB-CZ 4.14Å; E157-E214 WeakPolarHBondContact OE2-CA 3.46Å; E157-S215 VanDerWaalsContact OE1-CB 3.22Å; E157-S215 WeakPolarHBondContact OE1-CB 3.49Å; E157-S215 PolarHBondContact OE1-OG 3.21Å; E157-S215 PolarHBondContact OE2-N 2.87Å; E157-L249 HydrophobicContact CB-CD2 3.53Å; E157-L249 HydrophobicContact CG-CD2 3.79Å
158	K	98.6	Very high	98.7	Very high	94 Å²	94	21.8 Å²	21.8	41%	0.409	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-16.1	176.8	-59	173.8	-179.2	153.6	0	112.6	D136 G137 T156 L160 S215	D136-K158 WeakPolarHBondContact OD1-CB 3.46Å; D136-K158 WeakPolarHBondContact OD1-CD 3.44Å; G137-K158 CarbonylContact C-O 3.47Å; G137-K158 VanDerWaalsContact CA-O 3.32Å; G137-K158 WeakPolarHBondContact CA-O 3.31Å; T156-K158 PolarHBondContact O-N 2.95Å; T156-K158 PolarHBondContact OG1-N 2.83Å; K158-L160 PolarHBondContact O-N 3.02Å; K158-S215 WeakPolarHBondContact CE-OG 3.5Å; K158-S215 PolarHBondContact NZ-OG 3.07Å
159	T	98.9	Very high	98.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.104	C	C	.	.			trans	-56.9	124.3	179.6	-55.8	0	0	0	0	110	I135 G137 A155 T156 K199 G200 V203	I135-T159 HydrophobicContact CB-CG2 4.5Å; I135-T159 HydrophobicContact CD1-CG2 3.85Å; I135-T159 HydrophobicContact CG1-CG2 4.03Å; I135-T159 WeakPolarHBondContact O-CB 3.43Å; I135-T159 WeakPolarHBondContact O-CG2 3.47Å; I135-T159 PolarHBondContact O-OG1 3.1Å; G137-T159 VanDerWaalsContact O-CA 3.29Å; G137-T159 WeakPolarHBondContact O-CA 3.33Å; A155-T159 WeakPolarHBondContact CA-OG1 3.48Å; A155-T159 HydrophobicContact CB-CG2 4.17Å; T156-T159 PolarHBondContact N-OG1 3.31Å; T156-T159 WeakPolarHBondContact O-CB 3.35Å; T156-T159 PolarHBondContact O-N 3.39Å; T156-T159 PolarHBondContact O-OG1 2.69Å; T156-T159 PolarHBondContact OG1-N 3.18Å; T159-K199 CarbonylContact O-C 3.56Å; T159-K199 VanDerWaalsContact O-CA 3.28Å; T159-K199 WeakPolarHBondContact O-CA 3.49Å; T159-K199 WeakPolarHBondContact O-CG 3.43Å; T159-G200 PolarHBondContact O-N 2.86Å; T159-V203 HydrophobicContact CG2-CB 4.39Å; T159-V203 HydrophobicContact CG2-CG1 4.2Å; T159-V203 HydrophobicContact CG2-CG2 3.99Å
160	L	98.9	Very high	98.7	Very high	50 Å²	50	20.4 Å²	20.4	26%	0.262	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	102.8	174.3	-176.4	71.2	0	0	0	108.4	G137 I138 T139 M140 K158 R197 L198 K199	G137-L160 PolarHBondContact O-N 3.5Å; G137-L160 VanDerWaalsContact O-N 3.07Å; I138-L160 HydrophobicContact CG1-CB 4.48Å; I138-L160 HydrophobicContact CG1-CD2 4.37Å; T139-L160 PolarHBondContact N-O 3.22Å; M140-L160 HydrophobicContact CE-CD2 3.74Å; M140-L160 HydrophobicContact CE-CG 3.87Å; K158-L160 PolarHBondContact O-N 3.02Å; L160-R197 HydrophobicContact CD1-CB 3.93Å; L160-R197 HydrophobicContact CD1-CG 4.19Å; L160-L198 WeakPolarHBondContact CA-O 3.37Å; L160-K199 HydrophobicContact CD1-CB 4.17Å; L160-K199 HydrophobicContact CD1-CG 4.37Å
161	F	98.9	Very high	98.7	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	138	-179.1	167.7	-92.7	0	0	0	111.4	T139 V144 M163 F179 L191 R197 L198 V203 V208	T139-F161 WeakPolarHBondContact O-CA 3.37Å; V144-F161 HydrophobicContact CB-CE2 4.35Å; V144-F161 HydrophobicContact CG1-CE2 3.81Å; V144-F161 HydrophobicContact CG2-CD2 3.7Å; V144-F161 HydrophobicContact CG2-CE2 3.53Å; F161-M163 HydrophobicContact CE2-CG 4.34Å; F161-M163 HydrophobicContact CZ-CG 3.92Å; F161-F179 HydrophobicContact CE2-CZ 4.38Å; F161-F179 HydrophobicContact CZ-CE2 4.29Å; F161-F179 HydrophobicContact CZ-CZ 4.23Å; F161-L191 HydrophobicContact CE1-CD1 4.13Å; F161-R197 CarbonylContact O-C 3.59Å; F161-R197 VanDerWaalsContact O-CA 3.29Å; F161-R197 WeakPolarHBondContact O-CA 3.28Å; F161-L198 HydrophobicContact CB-CB 4.37Å; F161-L198 HydrophobicContact CD1-CB 4.15Å; F161-L198 HydrophobicContact CD1-CD1 4.01Å; F161-L198 HydrophobicContact CD1-CG 4.28Å; F161-L198 HydrophobicContact CE1-CD1 4.4Å; F161-L198 PolarHBondContact N-O 3.46Å; F161-L198 PolarHBondContact O-N 3.21Å; F161-V203 HydrophobicContact CB-CG1 3.94Å; F161-V203 HydrophobicContact CB-CG2 3.85Å; F161-V203 HydrophobicContact CG-CG1 4.46Å; F161-V208 HydrophobicContact CD1-CG2 4.45Å; F161-V208 HydrophobicContact CD2-CG1 3.6Å; F161-V208 HydrophobicContact CE1-CG2 4.12Å; F161-V208 HydrophobicContact CE2-CG1 3.64Å; F161-V208 HydrophobicContact CE2-CG2 4.22Å; F161-V208 HydrophobicContact CG-CG1 4.14Å; F161-V208 HydrophobicContact CZ-CG1 4.25Å; F161-V208 HydrophobicContact CZ-CG2 3.98Å
162	A	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	156.6	161.2	0	0	0	0	0	111.2	T139 M140 P164 R197	T139-A162 PolarHBondContact O-N 3.34Å; M140-A162 VanDerWaalsContact CA-O 3.28Å; M140-A162 WeakPolarHBondContact CA-O 3.36Å; M140-A162 HydrophobicContact CE-CB 3.95Å; M140-A162 HydrophobicContact CG-CB 4.12Å; M140-A162 HydrophobicContact SD-CB 4.24Å; A162-P164 WeakPolarHBondContact O-CD 3.45Å; A162-R197 HydrophobicContact CB-CG 4.13Å
163	M	98.8	Very high	98.7	Very high	1 Å²	1	16 Å²	16	1%	0.005	8%	0.082	C	C	.	.			trans	-112.2	82.9	163.3	-64.6	-59.8	-67.1	0	0	108	V144 F161 E165 P172 V174 F179 L180 G195	V144-M163 HydrophobicContact CB-SD 3.77Å; V144-M163 HydrophobicContact CG1-SD 3.9Å; V144-M163 HydrophobicContact CG2-SD 3.71Å; F161-M163 HydrophobicContact CE2-CG 4.34Å; F161-M163 HydrophobicContact CZ-CG 3.92Å; M163-E165 VanDerWaalsContact C-N 3.29Å; M163-E165 WeakPolarHBondContact CA-OE2 3.19Å; M163-E165 VanDerWaalsContact CB-OE2 3.24Å; M163-E165 WeakPolarHBondContact CB-OE2 3.43Å; M163-E165 PolarHBondContact O-N 3.34Å; M163-P172 HydrophobicContact CB-CB 4Å; M163-P172 HydrophobicContact CB-CG 4.13Å; M163-P172 HydrophobicContact CE-CB 3.72Å; M163-P172 HydrophobicContact CG-CB 4.4Å; M163-V174 HydrophobicContact CE-CG2 4.37Å; M163-F179 HydrophobicContact CG-CZ 4.24Å; M163-F179 HydrophobicContact SD-CZ 4.34Å; M163-L180 HydrophobicContact CG-CD1 4.34Å; M163-G195 WeakPolarHBondContact O-CA 3.4Å
164	P	98.4	Very high	98.7	Very high	33 Å²	33	14.2 Å²	14.2	21%	0.214	8%	0.076	C	C	.	.			trans	-87.3	14.8	-170.5	37.6	-38.1	0	0	0	114.3	A162 T166 A167	A162-P164 WeakPolarHBondContact O-CD 3.45Å; P164-T166 VanDerWaalsContact C-N 3.29Å; P164-T166 PolarHBondContact O-N 2.95Å; P164-A167 WeakPolarHBondContact O-CB 3.37Å; P164-A167 PolarHBondContact O-N 3.31Å
165	E	98.8	Very high	98.7	Very high	9 Å²	9	14.2 Å²	14.2	4%	0.042	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-64.2	-29.4	-166	-69.1	75.1	-153.6	0	0	113.7	G141 M163 A167 I168 G169 L170 F171	G141-E165 WeakPolarHBondContact CA-OE1 3.11Å; M163-E165 VanDerWaalsContact C-N 3.29Å; M163-E165 WeakPolarHBondContact CA-OE2 3.19Å; M163-E165 VanDerWaalsContact CB-OE2 3.24Å; M163-E165 WeakPolarHBondContact CB-OE2 3.43Å; M163-E165 PolarHBondContact O-N 3.34Å; E165-A167 PolarHBondContact O-N 2.96Å; E165-I168 WeakPolarHBondContact O-CG1 3.39Å; E165-I168 PolarHBondContact O-N 3.3Å; E165-I168 VanDerWaalsContact O-N 3.07Å; E165-G169 PolarHBondContact O-N 3.03Å; E165-L170 CarbonylContact C-O 3.52Å; E165-L170 HydrophobicContact CB-CB 4.06Å; E165-L170 HydrophobicContact CG-CD2 4.4Å; E165-L170 CarbonylContact O-C 3.52Å; E165-L170 PolarHBondContact O-N 3.26Å; E165-L170 VanDerWaalsContact O-O 3.14Å; E165-F171 VanDerWaalsContact CB-O 3.26Å; E165-F171 WeakPolarHBondContact CB-O 3.2Å; E165-F171 WeakPolarHBondContact CG-O 3.36Å
166	T	98.8	Very high	98.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-64.7	-22	176.8	59.6	0	0	0	0	113.1	P164 I168 A192 L193 S299 L303 T306	P164-T166 VanDerWaalsContact C-N 3.29Å; P164-T166 PolarHBondContact O-N 2.95Å; T166-I168 VanDerWaalsContact C-N 3.31Å; T166-A192 WeakPolarHBondContact CG2-O 3.21Å; T166-L193 PolarHBondContact OG1-O 2.92Å; T166-S299 PolarHBondContact O-N 3.26Å; T166-L303 HydrophobicContact CG2-CD2 4.42Å; T166-T306 HydrophobicContact CG2-CG2 4.46Å
167	A	98.6	Very high	98.7	Very high	29 Å²	29	14.2 Å²	14.2	24%	0.24	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-80.2	-11.9	176.8	0	0	0	0	0	113.5	P164 E165 M298 W355	P164-A167 WeakPolarHBondContact O-CB 3.37Å; P164-A167 PolarHBondContact O-N 3.31Å; E165-A167 PolarHBondContact O-N 2.96Å; A167-M298 VanDerWaalsContact CA-SD 3.58Å; A167-M298 HydrophobicContact CB-CE 4.42Å; A167-M298 HydrophobicContact CB-SD 3.62Å; A167-W355 WeakPolarHBondContact O-CH2 3.39Å
168	I	98.4	Very high	98.8	Very high	18 Å²	18	15.3 Å²	15.3	9%	0.092	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-119.5	15.3	-178.5	57.3	163.5	0	0	0	112.5	I96 E165 T166 L170 F338 V345	I96-I168 HydrophobicContact CD1-CD1 3.29Å; E165-I168 WeakPolarHBondContact O-CG1 3.39Å; E165-I168 PolarHBondContact O-N 3.3Å; E165-I168 VanDerWaalsContact O-N 3.07Å; T166-I168 VanDerWaalsContact C-N 3.31Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 HydrophobicContact CD1-CB 4.37Å; I168-L170 HydrophobicContact CG1-CB 4.27Å; I168-L170 PolarHBondContact O-N 3.42Å; I168-F338 WeakPolarHBondContact O-CA 3.39Å; I168-V345 HydrophobicContact CG2-CB 3.91Å; I168-V345 HydrophobicContact CG2-CG1 4.09Å; I168-V345 HydrophobicContact CG2-CG2 3.88Å
169	G	98.5	Very high	98.8	Very high	3 Å²	3	11.6 Å²	11.6	3%	0.031	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	24.1	179.2	0	0	0	0	0	114.5	E165 S302 F338	E165-G169 PolarHBondContact O-N 3.03Å; G169-S302 VanDerWaalsContact CA-OG 3.31Å; G169-S302 WeakPolarHBondContact CA-OG 3.5Å; G169-F338 PolarHBondContact O-N 3.46Å
170	L	98.7	Very high	98.8	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.016	6%	0.062	C	C	.	.			trans	-118.4	-170.3	171.5	-159.8	65.2	0	0	0	109.1	F114 E165 I168 S302 C332 M333 F338	F114-L170 HydrophobicContact CE1-CD2 4.29Å; F114-L170 HydrophobicContact CZ-CD2 4.31Å; E165-L170 CarbonylContact C-O 3.52Å; E165-L170 HydrophobicContact CB-CB 4.06Å; E165-L170 HydrophobicContact CG-CD2 4.4Å; E165-L170 CarbonylContact O-C 3.52Å; E165-L170 PolarHBondContact O-N 3.26Å; E165-L170 VanDerWaalsContact O-O 3.14Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 HydrophobicContact CD1-CB 4.37Å; I168-L170 HydrophobicContact CG1-CB 4.27Å; I168-L170 PolarHBondContact O-N 3.42Å; L170-S302 PolarHBondContact N-OG 3.47Å; L170-S302 WeakPolarHBondContact O-CB 3.42Å; L170-S302 PolarHBondContact O-OG 3.39Å; L170-C332 HydrophobicContact CD1-CB 3.68Å; L170-M333 HydrophobicContact CD1-CE 4.22Å; L170-F338 HydrophobicContact CB-CD2 4.23Å; L170-F338 HydrophobicContact CD1-CD2 4.07Å; L170-F338 HydrophobicContact CD1-CE2 4.44Å; L170-F338 HydrophobicContact CD2-CE2 4.36Å
171	F	98.9	Very high	98.8	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.			trans	-129.7	158.3	175.8	57.1	-83.8	0	0	0	108.3	E165 D173 V305 T306 Q309 E325 L328	E165-F171 VanDerWaalsContact CB-O 3.26Å; E165-F171 WeakPolarHBondContact CB-O 3.2Å; E165-F171 WeakPolarHBondContact CG-O 3.36Å; F171-D173 VanDerWaalsContact C-N 3.35Å; F171-D173 HydrophobicContact CD2-CB 4.09Å; F171-D173 HydrophobicContact CE2-CB 3.54Å; F171-D173 HydrophobicContact CZ-CB 4.04Å; F171-D173 PolarHBondContact O-N 3.45Å; F171-V305 HydrophobicContact CB-CG1 4.12Å; F171-V305 HydrophobicContact CD1-CG1 4.11Å; F171-V305 HydrophobicContact CG-CG1 4.13Å; F171-T306 WeakPolarHBondContact CB-OG1 3.32Å; F171-Q309 VanDerWaalsContact CD2-OE1 3.28Å; F171-E325 HydrophobicContact CE2-CB 3.94Å; F171-E325 HydrophobicContact CE2-CG 3.88Å; F171-E325 HydrophobicContact CZ-CB 4.4Å; F171-E325 WeakPolarHBondContact CZ-O 3.44Å; F171-L328 HydrophobicContact CD1-CB 3.95Å; F171-L328 HydrophobicContact CD2-CB 4.48Å; F171-L328 HydrophobicContact CD2-CD1 4.14Å; F171-L328 VanDerWaalsContact CE1-C 3.4Å; F171-L328 HydrophobicContact CE1-CB 3.3Å; F171-L328 HydrophobicContact CE2-CB 3.88Å; F171-L328 HydrophobicContact CE2-CD1 4.01Å; F171-L328 HydrophobicContact CG-CD1 4.47Å; F171-L328 HydrophobicContact CZ-CB 3.26Å; F171-L328 HydrophobicContact CZ-CD1 4.28Å; F171-L328 HydrophobicContact CZ-CG 4.38Å
172	P	98.8	Very high	98.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	S	Bend	trans	-60.5	93	175.8	-28.6	39.7	0	0	0	111.7	M163 G176 L180 A192 T306 Q309	M163-P172 HydrophobicContact CB-CB 4Å; M163-P172 HydrophobicContact CB-CG 4.13Å; M163-P172 HydrophobicContact CE-CB 3.72Å; M163-P172 HydrophobicContact CG-CB 4.4Å; P172-G176 WeakPolarHBondContact O-CA 3.45Å; P172-L180 HydrophobicContact CB-CD1 3.68Å; P172-L180 HydrophobicContact CG-CD1 4.42Å; P172-A192 HydrophobicContact CG-CB 3.97Å; P172-T306 WeakPolarHBondContact CD-OG1 3.48Å; P172-T306 HydrophobicContact CG-CG2 3.99Å; P172-Q309 PolarHBondContact O-NE2 3.21Å
173	D	98.8	Very high	98.7	Very high	6 Å²	6	17.1 Å²	17.1	3%	0.032	9%	0.086	C	C	.	.			trans	-91.8	-153.8	-175.6	65.8	-28.6	0	0	0	111.2	Y118 F171 G175 G176 E325	Y118-D173 HydrophobicContact CE1-CB 4.27Å; Y118-D173 WeakPolarHBondContact OH-CB 3.35Å; Y118-D173 PolarHBondContact OH-OD2 2.83Å; Y118-D173 VanDerWaalsContact OH-OD2 3.14Å; F171-D173 VanDerWaalsContact C-N 3.35Å; F171-D173 HydrophobicContact CD2-CB 4.09Å; F171-D173 HydrophobicContact CE2-CB 3.54Å; F171-D173 HydrophobicContact CZ-CB 4.04Å; F171-D173 PolarHBondContact O-N 3.45Å; D173-G175 PolarHBondContact O-N 3.1Å; D173-G175 VanDerWaalsContact O-N 3.12Å; D173-G176 WeakPolarHBondContact O-CA 3.39Å; D173-G176 PolarHBondContact O-N 3.23Å; D173-E325 VanDerWaalsContact C-OE2 3.32Å
174	V	98.8	Very high	98.7	Very high	1 Å²	1	22 Å²	22	1%	0.006	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	36.4	179.3	-60.3	0	0	0	0	113.7	E117 Y118 N121 G141 H149 M163 E325	E117-V174 HydrophobicContact CG-CG1 3.95Å; Y118-V174 HydrophobicContact CD1-CG1 4.18Å; Y118-V174 HydrophobicContact CE1-CG1 3.85Å; N121-V174 WeakPolarHBondContact OD1-CB 3.22Å; N121-V174 WeakPolarHBondContact OD1-CG1 3.44Å; G141-V174 WeakPolarHBondContact O-CG2 3.43Å; H149-V174 PolarHBondContact NE2-O 3.13Å; M163-V174 HydrophobicContact CE-CG2 4.37Å; V174-E325 PolarHBondContact N-OE2 2.89Å; V174-E325 VanDerWaalsContact N-OE2 3.09Å
175	G	98.8	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	14.1	-176	0	0	0	0	0	114.4	D173 G177 Y178 F179 E325	D173-G175 PolarHBondContact O-N 3.1Å; D173-G175 VanDerWaalsContact O-N 3.12Å; G175-G177 PolarHBondContact O-N 2.7Å; G175-Y178 WeakPolarHBondContact O-CA 3.47Å; G175-Y178 VanDerWaalsContact O-CB 3.29Å; G175-Y178 WeakPolarHBondContact O-CB 3.18Å; G175-Y178 PolarHBondContact O-N 2.92Å; G175-F179 WeakPolarHBondContact O-CD1 3.07Å; G175-F179 PolarHBondContact O-N 2.85Å; G175-F179 VanDerWaalsContact O-N 3.14Å; G175-E325 WeakPolarHBondContact CA-OE2 3.4Å; G175-E325 PolarHBondContact N-OE2 2.69Å
176	G	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-54.7	-40.1	174.2	0	0	0	0	0	112.6	P172 D173 Y178 L180 E325	P172-G176 WeakPolarHBondContact O-CA 3.45Å; D173-G176 WeakPolarHBondContact O-CA 3.39Å; D173-G176 PolarHBondContact O-N 3.23Å; G176-Y178 PolarHBondContact O-N 2.8Å; G176-Y178 VanDerWaalsContact O-N 3.12Å; G176-L180 WeakPolarHBondContact O-CB 3.29Å; G176-L180 WeakPolarHBondContact O-CD1 3.39Å; G176-L180 WeakPolarHBondContact O-CG 3.36Å; G176-L180 PolarHBondContact O-N 3.02Å; G176-L180 VanDerWaalsContact O-N 3.1Å; G176-E325 PolarHBondContact N-OE1 2.67Å
177	G	98.9	Very high	98.6	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.8	-17.9	173.4	0	0	0	0	0	113.7	G175 P181 G313 E325	G175-G177 PolarHBondContact O-N 2.7Å; G177-P181 WeakPolarHBondContact O-CD 3.26Å; G177-P181 WeakPolarHBondContact O-CG 3.42Å; G177-G313 CarbonylContact O-C 3.54Å; G177-G313 VanDerWaalsContact O-C 3.24Å; G177-G313 WeakPolarHBondContact O-CA 3.2Å; G177-E325 PolarHBondContact N-OE1 3.22Å
178	Y	98.9	Very high	98.6	Very high	74 Å²	74	25.7 Å²	25.7	29%	0.29	13%	0.128	S	C	.	.	H	α-helix	trans	-92.2	-56.6	178.2	-179.8	-101.9	0	0	0	111.3	G175 G176 P181 R182 L318 V321	G175-Y178 WeakPolarHBondContact O-CA 3.47Å; G175-Y178 VanDerWaalsContact O-CB 3.29Å; G175-Y178 WeakPolarHBondContact O-CB 3.18Å; G175-Y178 PolarHBondContact O-N 2.92Å; G176-Y178 PolarHBondContact O-N 2.8Å; G176-Y178 VanDerWaalsContact O-N 3.12Å; Y178-P181 WeakPolarHBondContact O-CD 3.34Å; Y178-R182 VanDerWaalsContact CD2-CZ 3.45Å; Y178-R182 VanDerWaalsContact CE2-NH2 3.3Å; Y178-R182 VanDerWaalsContact O-CD 3.25Å; Y178-R182 WeakPolarHBondContact O-CD 3.43Å; Y178-R182 WeakPolarHBondContact O-CG 3.38Å; Y178-R182 PolarHBondContact O-NH1 3.01Å; Y178-L318 HydrophobicContact CD1-CB 4.18Å; Y178-L318 HydrophobicContact CD1-CD1 4.03Å; Y178-L318 HydrophobicContact CD2-CB 4.06Å; Y178-L318 HydrophobicContact CE1-CB 4.32Å; Y178-L318 HydrophobicContact CE2-CB 4.2Å; Y178-L318 HydrophobicContact CG-CB 4.05Å; Y178-L318 HydrophobicContact CG-CD1 3.96Å; Y178-V321 HydrophobicContact CD2-CG2 4.43Å
179	F	98.9	Very high	98.6	Very high	16 Å²	16	25.6 Å²	25.6	7%	0.07	13%	0.127	C	C	.	.	H	α-helix	trans	-81.8	-35.9	-170.2	85.9	-93.6	0	0	0	113.4	V144 V148 F161 M163 G175 R182 L183	V144-F179 HydrophobicContact CG1-CE1 3.83Å; V144-F179 HydrophobicContact CG1-CZ 3.69Å; V148-F179 HydrophobicContact CG1-CD1 3.68Å; V148-F179 HydrophobicContact CG1-CE1 3.99Å; V148-F179 HydrophobicContact CG1-CG 4.04Å; V148-F179 HydrophobicContact CG2-CB 4.23Å; V148-F179 HydrophobicContact CG2-CD1 4.25Å; V148-F179 HydrophobicContact CG2-CD2 3.72Å; V148-F179 HydrophobicContact CG2-CE2 4.11Å; V148-F179 HydrophobicContact CG2-CG 3.81Å; F161-F179 HydrophobicContact CE2-CZ 4.38Å; F161-F179 HydrophobicContact CZ-CE2 4.29Å; F161-F179 HydrophobicContact CZ-CZ 4.23Å; M163-F179 HydrophobicContact CG-CZ 4.24Å; M163-F179 HydrophobicContact SD-CZ 4.34Å; G175-F179 WeakPolarHBondContact O-CD1 3.07Å; G175-F179 PolarHBondContact O-N 2.85Å; G175-F179 VanDerWaalsContact O-N 3.14Å; F179-R182 PolarHBondContact O-N 3.32Å; F179-R182 VanDerWaalsContact O-N 3.14Å; F179-L183 PolarHBondContact O-N 3.42Å
180	L	98.9	Very high	98.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-59.9	-50.4	-178.3	-67.2	160.8	0	0	0	112.2	M163 P172 G176 R182 L183 G188 L191 A192 L310	M163-L180 HydrophobicContact CG-CD1 4.34Å; P172-L180 HydrophobicContact CB-CD1 3.68Å; P172-L180 HydrophobicContact CG-CD1 4.42Å; G176-L180 WeakPolarHBondContact O-CB 3.29Å; G176-L180 WeakPolarHBondContact O-CD1 3.39Å; G176-L180 WeakPolarHBondContact O-CG 3.36Å; G176-L180 PolarHBondContact O-N 3.02Å; G176-L180 VanDerWaalsContact O-N 3.1Å; L180-R182 PolarHBondContact O-N 2.63Å; L180-L183 HydrophobicContact CD2-CD1 4.31Å; L180-L183 WeakPolarHBondContact O-CB 3.42Å; L180-L183 WeakPolarHBondContact O-CG 3.1Å; L180-L183 PolarHBondContact O-N 3Å; L180-G188 VanDerWaalsContact O-CA 3.25Å; L180-G188 WeakPolarHBondContact O-CA 3.01Å; L180-L191 HydrophobicContact CD2-CB 4.37Å; L180-A192 HydrophobicContact CD1-CB 3.94Å; L180-L310 HydrophobicContact CB-CD2 3.97Å; L180-L310 HydrophobicContact CB-CG 4.27Å; L180-L310 HydrophobicContact CD1-CD1 4.42Å
181	P	98.8	Very high	98.7	Very high	37 Å²	37	25.4 Å²	25.4	24%	0.24	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-69.4	-7.7	-179.7	28.9	-33.1	0	0	0	113.6	G177 Y178 A314	G177-P181 WeakPolarHBondContact O-CD 3.26Å; G177-P181 WeakPolarHBondContact O-CG 3.42Å; Y178-P181 WeakPolarHBondContact O-CD 3.34Å; P181-A314 HydrophobicContact CB-CB 3.84Å; P181-A314 HydrophobicContact CG-CB 4.22Å
182	R	98.6	Very high	98.7	Very high	108 Å²	108	25.4 Å²	25.4	41%	0.408	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-94	-5.1	174.8	-68.1	171.7	171.6	68.9	0.5	113	Y178 F179 L180 G313 A314 M316	Y178-R182 VanDerWaalsContact CD2-CZ 3.45Å; Y178-R182 VanDerWaalsContact CE2-NH2 3.3Å; Y178-R182 VanDerWaalsContact O-CD 3.25Å; Y178-R182 WeakPolarHBondContact O-CD 3.43Å; Y178-R182 WeakPolarHBondContact O-CG 3.38Å; Y178-R182 PolarHBondContact O-NH1 3.01Å; F179-R182 PolarHBondContact O-N 3.32Å; F179-R182 VanDerWaalsContact O-N 3.14Å; L180-R182 PolarHBondContact O-N 2.63Å; R182-G313 PolarHBondContact NH1-O 3.45Å; R182-A314 PolarHBondContact NH2-O 3Å; R182-M316 PolarHBondContact NH2-O 3.45Å
183	L	98.6	Very high	98.7	Very high	21 Å²	21	25.4 Å²	25.4	11%	0.11	13%	0.125	C	C	.	.	S	Bend	trans	-69.6	161.5	167.4	-57.7	-174.3	0	0	0	110.4	F179 L180 G185 L187 L191 V208	F179-L183 PolarHBondContact O-N 3.42Å; L180-L183 HydrophobicContact CD2-CD1 4.31Å; L180-L183 WeakPolarHBondContact O-CB 3.42Å; L180-L183 WeakPolarHBondContact O-CG 3.1Å; L180-L183 PolarHBondContact O-N 3Å; L183-G185 PolarHBondContact O-N 2.71Å; L183-L187 HydrophobicContact CB-CB 4.46Å; L183-L191 HydrophobicContact CD1-CD1 3.8Å; L183-V208 HydrophobicContact CD1-CG2 4.24Å
184	R	97.4	Very high	98.7	Very high	105 Å²	105	25.3 Å²	25.3	40%	0.396	13%	0.125	S	C	.	.	S	Bend	trans	-57.7	132.5	-176.7	72.2	-169.6	-163.1	174.1	16.3	112.2	K186 L187 F255 T261	R184-K186 PolarHBondContact O-N 2.67Å; R184-L187 HydrophobicContact CG-CB 4.23Å; R184-L187 HydrophobicContact CG-CD2 4.04Å; R184-L187 WeakPolarHBondContact O-CB 3.39Å; R184-L187 PolarHBondContact O-N 2.86Å; R184-L187 VanDerWaalsContact O-N 3.08Å; R184-F255 VanDerWaalsContact NH2-CE1 3.3Å; R184-T261 PolarHBondContact NH2-OG1 2.65Å
185	G	97.4	Very high	98.7	Very high	56 Å²	56	25.4 Å²	25.4	58%	0.577	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	-128.9	174.7	0	0	0	0	0	113.1	L183 D265	L183-G185 PolarHBondContact O-N 2.71Å; G185-D265 WeakPolarHBondContact CA-OD1 3.02Å
186	K	98.4	Very high	98.6	Very high	86 Å²	86	28.1 Å²	28.1	37%	0.374	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	12	175.7	-60	-63.1	-177.7	177	0	113.4	R184 G188 L189 F190 I264 D265 F268	R184-K186 PolarHBondContact O-N 2.67Å; K186-G188 VanDerWaalsContact C-N 3.3Å; K186-G188 PolarHBondContact O-N 3.25Å; K186-L189 HydrophobicContact CD-CD2 4.49Å; K186-L189 PolarHBondContact O-N 3.27Å; K186-F190 WeakPolarHBondContact O-CB 3.5Å; K186-F190 PolarHBondContact O-N 3.21Å; K186-I264 HydrophobicContact CB-CG2 4.06Å; K186-D265 PolarHBondContact N-OD1 3.01Å; K186-F268 HydrophobicContact CB-CB 3.99Å; K186-F268 HydrophobicContact CG-CB 4.43Å
187	L	98.8	Very high	98.6	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-55.2	-45.5	-179.9	179.4	60.5	0	0	0	111.6	L183 R184 L189 F190 L191 A206 F255 L257	L183-L187 HydrophobicContact CB-CB 4.46Å; R184-L187 HydrophobicContact CG-CB 4.23Å; R184-L187 HydrophobicContact CG-CD2 4.04Å; R184-L187 WeakPolarHBondContact O-CB 3.39Å; R184-L187 PolarHBondContact O-N 2.86Å; R184-L187 VanDerWaalsContact O-N 3.08Å; L187-L189 PolarHBondContact O-N 3.03Å; L187-F190 HydrophobicContact CD1-CD1 4.26Å; L187-F190 WeakPolarHBondContact O-CB 3.21Å; L187-F190 PolarHBondContact O-N 3.43Å; L187-L191 HydrophobicContact CD1-CD1 4.08Å; L187-L191 HydrophobicContact CD1-CD2 4.35Å; L187-L191 HydrophobicContact CD1-CG 4.04Å; L187-L191 HydrophobicContact CG-CD1 3.9Å; L187-L191 HydrophobicContact CG-CG 4.29Å; L187-L191 VanDerWaalsContact O-CG 3.22Å; L187-L191 WeakPolarHBondContact O-CG 3.36Å; L187-L191 PolarHBondContact O-N 2.92Å; L187-A206 HydrophobicContact CD2-CB 3.96Å; L187-F255 HydrophobicContact CD1-CZ 4.41Å; L187-F255 HydrophobicContact CD2-CE1 4.48Å; L187-F255 HydrophobicContact CD2-CZ 4.22Å; L187-L257 HydrophobicContact CD1-CD1 3.71Å
188	G	98.8	Very high	98.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-44.6	178.6	0	0	0	0	0	113.7	L180 K186 F190 L191 A192	L180-G188 VanDerWaalsContact O-CA 3.25Å; L180-G188 WeakPolarHBondContact O-CA 3.01Å; K186-G188 VanDerWaalsContact C-N 3.3Å; K186-G188 PolarHBondContact O-N 3.25Å; G188-F190 VanDerWaalsContact C-N 3.33Å; G188-F190 PolarHBondContact O-N 2.73Å; G188-L191 PolarHBondContact O-N 3.33Å; G188-A192 WeakPolarHBondContact O-CB 3.28Å; G188-A192 PolarHBondContact O-N 3.41Å
189	L	98.9	Very high	98.6	Very high	16 Å²	16	38 Å²	38	8%	0.084	18%	0.179	C	C	.	.	H	α-helix	trans	-64	-40.9	177.6	-176.4	61.1	0	0	0	111.6	K186 L187 A192 L193 F268 I276 F307 L310	K186-L189 HydrophobicContact CD-CD2 4.49Å; K186-L189 PolarHBondContact O-N 3.27Å; L187-L189 PolarHBondContact O-N 3.03Å; L189-A192 PolarHBondContact O-N 2.74Å; L189-L193 HydrophobicContact CD1-CD1 3.77Å; L189-L193 HydrophobicContact CD1-CG 3.94Å; L189-L193 HydrophobicContact CG-CD1 3.96Å; L189-L193 HydrophobicContact CG-CG 4.43Å; L189-L193 WeakPolarHBondContact O-CG 3.41Å; L189-L193 PolarHBondContact O-N 3.4Å; L189-F268 HydrophobicContact CD2-CB 4.37Å; L189-F268 HydrophobicContact CG-CD1 4.47Å; L189-I276 HydrophobicContact CD2-CD1 4.01Å; L189-F307 HydrophobicContact CD1-CD2 3.99Å; L189-F307 HydrophobicContact CD2-CD2 4.09Å; L189-F307 HydrophobicContact CD2-CE2 3.99Å; L189-L310 HydrophobicContact CB-CD2 4.18Å; L189-L310 HydrophobicContact CD1-CB 4.46Å; L189-L310 HydrophobicContact CD1-CD2 3.88Å
190	F	98.9	Very high	98.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-52.5	173.2	167.8	-102.7	0	0	0	112	K186 L187 G188 A192 T194 F196 L257 I264 F268 F287 Q291	K186-F190 WeakPolarHBondContact O-CB 3.5Å; K186-F190 PolarHBondContact O-N 3.21Å; L187-F190 HydrophobicContact CD1-CD1 4.26Å; L187-F190 WeakPolarHBondContact O-CB 3.21Å; L187-F190 PolarHBondContact O-N 3.43Å; G188-F190 VanDerWaalsContact C-N 3.33Å; G188-F190 PolarHBondContact O-N 2.73Å; F190-A192 VanDerWaalsContact C-N 3.32Å; F190-A192 PolarHBondContact O-N 2.82Å; F190-T194 HydrophobicContact CD2-CG2 4Å; F190-T194 HydrophobicContact CE2-CG2 3.9Å; F190-T194 WeakPolarHBondContact O-CB 3.43Å; F190-T194 WeakPolarHBondContact O-CG2 3.46Å; F190-T194 PolarHBondContact O-N 2.94Å; F190-T194 VanDerWaalsContact O-N 3.12Å; F190-T194 PolarHBondContact O-OG1 3.15Å; F190-F196 HydrophobicContact CD1-CB 4.47Å; F190-F196 HydrophobicContact CE1-CB 3.62Å; F190-F196 HydrophobicContact CE1-CD1 4.06Å; F190-F196 AromaticContact CE1-CD2 3.93Å; F190-F196 HydrophobicContact CE1-CD2 3.93Å; F190-F196 AromaticContact CE1-CG 3.6Å; F190-F196 HydrophobicContact CE1-CG 3.6Å; F190-F196 HydrophobicContact CZ-CB 3.9Å; F190-F196 AromaticContact CZ-CD2 3.65Å; F190-F196 HydrophobicContact CZ-CD2 3.65Å; F190-F196 HydrophobicContact CZ-CE2 4.33Å; F190-F196 AromaticContact CZ-CG 3.81Å; F190-F196 HydrophobicContact CZ-CG 3.81Å; F190-L257 HydrophobicContact CD1-CD1 4.1Å; F190-L257 HydrophobicContact CE1-CD1 3.65Å; F190-L257 HydrophobicContact CE1-CD2 4.16Å; F190-L257 HydrophobicContact CZ-CD2 4.41Å; F190-I264 HydrophobicContact CB-CG2 3.71Å; F190-I264 HydrophobicContact CD1-CD1 3.95Å; F190-I264 HydrophobicContact CD2-CD1 4.36Å; F190-I264 HydrophobicContact CD2-CG1 4.14Å; F190-I264 HydrophobicContact CE1-CD1 4.17Å; F190-I264 HydrophobicContact CG-CD1 4.04Å; F190-I264 HydrophobicContact CG-CG1 4.15Å; F190-I264 HydrophobicContact CG-CG2 4.21Å; F190-I264 HydrophobicContact CZ-CD1 4.47Å; F190-F268 HydrophobicContact CB-CD1 4.42Å; F190-F268 HydrophobicContact CB-CE1 4.44Å; F190-F268 HydrophobicContact CD2-CD2 4.35Å; F190-F268 HydrophobicContact CD2-CE1 4.1Å; F190-F268 AromaticContact CD2-CE2 3.66Å; F190-F268 HydrophobicContact CD2-CE2 3.66Å; F190-F268 AromaticContact CD2-CZ 3.54Å; F190-F268 HydrophobicContact CD2-CZ 3.54Å; F190-F268 HydrophobicContact CE2-CE2 4.35Å; F190-F268 HydrophobicContact CE2-CZ 4.22Å; F190-F287 HydrophobicContact CE2-CE2 4.42Å; F190-F287 AromaticContact CE2-CZ 3.96Å; F190-F287 HydrophobicContact CE2-CZ 3.96Å; F190-F287 HydrophobicContact CZ-CE2 4.42Å; F190-F287 HydrophobicContact CZ-CZ 4.33Å; F190-Q291 HydrophobicContact CE2-CG 4.18Å
191	L	98.9	Very high	98.5	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-42.9	179.7	-65.7	173	0	0	0	111.2	F161 L180 L183 L187 G188 G195 F196 L198	F161-L191 HydrophobicContact CE1-CD1 4.13Å; L180-L191 HydrophobicContact CD2-CB 4.37Å; L183-L191 HydrophobicContact CD1-CD1 3.8Å; L187-L191 HydrophobicContact CD1-CD1 4.08Å; L187-L191 HydrophobicContact CD1-CD2 4.35Å; L187-L191 HydrophobicContact CD1-CG 4.04Å; L187-L191 HydrophobicContact CG-CD1 3.9Å; L187-L191 HydrophobicContact CG-CG 4.29Å; L187-L191 VanDerWaalsContact O-CG 3.22Å; L187-L191 WeakPolarHBondContact O-CG 3.36Å; L187-L191 PolarHBondContact O-N 2.92Å; G188-L191 PolarHBondContact O-N 3.33Å; L191-G195 WeakPolarHBondContact O-CA 3.36Å; L191-G195 PolarHBondContact O-N 2.88Å; L191-F196 HydrophobicContact CD2-CB 4.01Å; L191-F196 HydrophobicContact CD2-CD1 4.19Å; L191-L198 HydrophobicContact CD1-CD1 4.04Å; L191-L198 HydrophobicContact CD2-CD1 4.07Å; L191-L198 HydrophobicContact CD2-CG 4.11Å
192	A	98.9	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-46.8	-178.4	0	0	0	0	0	113.4	T166 P172 L180 G188 L189 F190 T306 L310	T166-A192 WeakPolarHBondContact CG2-O 3.21Å; P172-A192 HydrophobicContact CG-CB 3.97Å; L180-A192 HydrophobicContact CD1-CB 3.94Å; G188-A192 WeakPolarHBondContact O-CB 3.28Å; G188-A192 PolarHBondContact O-N 3.41Å; L189-A192 PolarHBondContact O-N 2.74Å; F190-A192 VanDerWaalsContact C-N 3.32Å; F190-A192 PolarHBondContact O-N 2.82Å; A192-T306 HydrophobicContact CB-CG2 3.67Å; A192-L310 HydrophobicContact CB-CD1 4.26Å; A192-L310 HydrophobicContact CB-CD2 3.62Å
193	L	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-78	-37.6	-175.7	-65.5	177.4	0	0	0	112.2	T166 L189 F268 I276 L295 L303 T306 F307	T166-L193 PolarHBondContact OG1-O 2.92Å; L189-L193 HydrophobicContact CD1-CD1 3.77Å; L189-L193 HydrophobicContact CD1-CG 3.94Å; L189-L193 HydrophobicContact CG-CD1 3.96Å; L189-L193 HydrophobicContact CG-CG 4.43Å; L189-L193 WeakPolarHBondContact O-CG 3.41Å; L189-L193 PolarHBondContact O-N 3.4Å; L193-F268 HydrophobicContact CD1-CD1 4.27Å; L193-F268 HydrophobicContact CD1-CE1 4.29Å; L193-I276 HydrophobicContact CD1-CD1 4.02Å; L193-L295 HydrophobicContact CB-CD2 3.82Å; L193-L303 HydrophobicContact CB-CD2 4.08Å; L193-L303 HydrophobicContact CD2-CB 4.5Å; L193-L303 HydrophobicContact CD2-CD2 3.87Å; L193-L303 WeakPolarHBondContact CD2-O 3.45Å; L193-T306 HydrophobicContact CD2-CG2 3.77Å; L193-F307 HydrophobicContact CD2-CB 4.45Å
194	T	98.8	Very high	98.5	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-93.8	-16.6	-171.7	66.1	0	0	0	0	114.1	F190 F196 F268 I294 L295 M298	F190-T194 HydrophobicContact CD2-CG2 4Å; F190-T194 HydrophobicContact CE2-CG2 3.9Å; F190-T194 WeakPolarHBondContact O-CB 3.43Å; F190-T194 WeakPolarHBondContact O-CG2 3.46Å; F190-T194 PolarHBondContact O-N 2.94Å; F190-T194 VanDerWaalsContact O-N 3.12Å; F190-T194 PolarHBondContact O-OG1 3.15Å; T194-F196 PolarHBondContact O-N 3.2Å; T194-F196 WeakPolarHBondContact OG1-CB 3.36Å; T194-F196 PolarHBondContact OG1-N 2.55Å; T194-F268 HydrophobicContact CG2-CE1 4.34Å; T194-F268 HydrophobicContact CG2-CZ 4.15Å; T194-I294 WeakPolarHBondContact O-CG2 3.45Å; T194-L295 HydrophobicContact CG2-CD2 3.98Å; T194-L295 HydrophobicContact CG2-CG 4.36Å; T194-M298 WeakPolarHBondContact O-CE 3.37Å
195	G	98.6	Very high	98.5	Very high	4 Å²	4	31.6 Å²	31.6	4%	0.041	15%	0.153	C	C	.	.			trans	60.9	29.5	-171.2	0	0	0	0	0	113	M163 L191 R197	M163-G195 WeakPolarHBondContact O-CA 3.4Å; L191-G195 WeakPolarHBondContact O-CA 3.36Å; L191-G195 PolarHBondContact O-N 2.88Å; G195-R197 WeakPolarHBondContact O-CD 3.45Å
196	F	98.7	Very high	98.5	Very high	57 Å²	57	29.2 Å²	29.2	25%	0.25	13%	0.127	C	C	.	.	P	Polyproline II helix	trans	-59.3	139.2	-177.3	-171.8	-87	0	0	0	111.3	F190 L191 T194 L198 L257	F190-F196 HydrophobicContact CD1-CB 4.47Å; F190-F196 HydrophobicContact CE1-CB 3.62Å; F190-F196 HydrophobicContact CE1-CD1 4.06Å; F190-F196 AromaticContact CE1-CD2 3.93Å; F190-F196 HydrophobicContact CE1-CD2 3.93Å; F190-F196 AromaticContact CE1-CG 3.6Å; F190-F196 HydrophobicContact CE1-CG 3.6Å; F190-F196 HydrophobicContact CZ-CB 3.9Å; F190-F196 AromaticContact CZ-CD2 3.65Å; F190-F196 HydrophobicContact CZ-CD2 3.65Å; F190-F196 HydrophobicContact CZ-CE2 4.33Å; F190-F196 AromaticContact CZ-CG 3.81Å; F190-F196 HydrophobicContact CZ-CG 3.81Å; L191-F196 HydrophobicContact CD2-CB 4.01Å; L191-F196 HydrophobicContact CD2-CD1 4.19Å; T194-F196 PolarHBondContact O-N 3.2Å; T194-F196 WeakPolarHBondContact OG1-CB 3.36Å; T194-F196 PolarHBondContact OG1-N 2.55Å; F196-L198 HydrophobicContact CD1-CD2 4.08Å; F196-L198 HydrophobicContact CD1-CG 4.48Å; F196-L198 HydrophobicContact CE1-CD2 3.97Å; F196-L257 HydrophobicContact CD1-CD1 4.18Å; F196-L257 HydrophobicContact CE1-CD1 4.05Å; F196-L257 HydrophobicContact CE1-CD2 3.92Å; F196-L257 HydrophobicContact CE1-CG 4.1Å; F196-L257 HydrophobicContact CE2-CD2 4.16Å; F196-L257 HydrophobicContact CZ-CD2 3.7Å; F196-L257 HydrophobicContact CZ-CG 4.35Å
197	R	98.7	Very high	98.5	Very high	153 Å²	153	26.9 Å²	26.9	58%	0.577	13%	0.128	S	C	*	.	P	Polyproline II helix	trans	-92.3	124.8	-177.9	-74.1	76.9	176.7	-164.7	2.1	110.3	M140 L160 F161 A162 G195	M140-R197 HydrophobicContact CE-CG 4.34Å; L160-R197 HydrophobicContact CD1-CB 3.93Å; L160-R197 HydrophobicContact CD1-CG 4.19Å; F161-R197 CarbonylContact O-C 3.59Å; F161-R197 VanDerWaalsContact O-CA 3.29Å; F161-R197 WeakPolarHBondContact O-CA 3.28Å; A162-R197 HydrophobicContact CB-CG 4.13Å; G195-R197 WeakPolarHBondContact O-CD 3.45Å
198	L	98.8	Very high	98.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	141.2	166.3	-62.7	174.1	0	0	0	109.2	L160 F161 L191 F196 D202 V203 A206 F255 L257	L160-L198 WeakPolarHBondContact CA-O 3.37Å; F161-L198 HydrophobicContact CB-CB 4.37Å; F161-L198 HydrophobicContact CD1-CB 4.15Å; F161-L198 HydrophobicContact CD1-CD1 4.01Å; F161-L198 HydrophobicContact CD1-CG 4.28Å; F161-L198 HydrophobicContact CE1-CD1 4.4Å; F161-L198 PolarHBondContact N-O 3.46Å; F161-L198 PolarHBondContact O-N 3.21Å; L191-L198 HydrophobicContact CD1-CD1 4.04Å; L191-L198 HydrophobicContact CD2-CD1 4.07Å; L191-L198 HydrophobicContact CD2-CG 4.11Å; F196-L198 HydrophobicContact CD1-CD2 4.08Å; F196-L198 HydrophobicContact CD1-CG 4.48Å; F196-L198 HydrophobicContact CE1-CD2 3.97Å; L198-D202 HydrophobicContact CB-CB 4.46Å; L198-D202 HydrophobicContact CD2-CB 4.26Å; L198-V203 HydrophobicContact CB-CG2 3.9Å; L198-A206 HydrophobicContact CD1-CB 3.39Å; L198-F255 HydrophobicContact CD2-CE2 3.96Å; L198-F255 HydrophobicContact CD2-CZ 4.2Å; L198-L257 HydrophobicContact CD2-CD1 4.13Å
199	K	98.6	Very high	98.5	Very high	128 Å²	128	26.9 Å²	26.9	56%	0.557	13%	0.128	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.3	142.4	-178.1	-169.1	-179.5	177.5	-173.9	0	111.3	E157 T159 L160 R201 D202	E157-K199 WeakPolarHBondContact O-CE 3.24Å; T159-K199 CarbonylContact O-C 3.56Å; T159-K199 VanDerWaalsContact O-CA 3.28Å; T159-K199 WeakPolarHBondContact O-CA 3.49Å; T159-K199 WeakPolarHBondContact O-CG 3.43Å; L160-K199 HydrophobicContact CD1-CB 4.17Å; L160-K199 HydrophobicContact CD1-CG 4.37Å; K199-R201 PolarHBondContact O-N 3.02Å; K199-D202 WeakPolarHBondContact O-CB 3.3Å; K199-D202 PolarHBondContact O-N 2.52Å; K199-D202 VanDerWaalsContact O-N 3.16Å
200	G	98.1	Very high	98.5	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	-132.6	169.7	0	0	0	0	0	112.8	T156 T159 D202 V203	T156-G200 VanDerWaalsContact O-CA 3.3Å; T156-G200 WeakPolarHBondContact O-CA 3.14Å; T159-G200 PolarHBondContact O-N 2.86Å; G200-D202 PolarHBondContact O-N 3.45Å; G200-V203 WeakPolarHBondContact O-CB 3.49Å; G200-V203 WeakPolarHBondContact O-CG2 3.43Å; G200-V203 PolarHBondContact O-N 2.83Å
201	R	97.4	Very high	98.5	Very high	17 Å²	17	28.7 Å²	28.7	6%	0.064	14%	0.139	C	C	.	.	H	α-helix	trans	-63.8	-19.3	-179.2	-160.2	176.5	-70.1	-98.3	12.2	113.3	K199 V203 Q204 R205 F212 S247 L249 D250	K199-R201 PolarHBondContact O-N 3.02Å; R201-V203 PolarHBondContact O-N 2.99Å; R201-Q204 PolarHBondContact O-N 2.78Å; R201-Q204 VanDerWaalsContact O-N 3.16Å; R201-R205 WeakPolarHBondContact O-CG 3.32Å; R201-R205 PolarHBondContact O-N 3.5Å; R201-F212 HydrophobicContact CB-CD2 3.92Å; R201-F212 HydrophobicContact CB-CE2 4.04Å; R201-F212 HydrophobicContact CB-CG 4.39Å; R201-F212 HydrophobicContact CG-CB 4.48Å; R201-F212 HydrophobicContact CG-CD2 4.25Å; R201-F212 HydrophobicContact CG-CG 4.26Å; R201-F212 VanDerWaalsContact NH2-CD1 3.29Å; R201-S247 PolarHBondContact NH2-O 2.72Å; R201-S247 PolarHBondContact NH2-OG 3.06Å; R201-L249 PolarHBondContact NE-O 2.77Å; R201-L249 PolarHBondContact NH2-O 3.14Å; R201-D250 HydrophobicContact CB-CB 4.48Å; R201-D250 WeakPolarHBondContact CD-O 3.4Å
202	D	98.5	Very high	98.5	Very high	29 Å²	29	28.7 Å²	28.7	16%	0.155	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-28.6	172.8	-68.1	-42.6	0	0	0	112.5	L198 K199 G200 Q204 R205 A206 F255 A256	L198-D202 HydrophobicContact CB-CB 4.46Å; L198-D202 HydrophobicContact CD2-CB 4.26Å; K199-D202 WeakPolarHBondContact O-CB 3.3Å; K199-D202 PolarHBondContact O-N 2.52Å; K199-D202 VanDerWaalsContact O-N 3.16Å; G200-D202 PolarHBondContact O-N 3.45Å; D202-Q204 VanDerWaalsContact C-N 3.3Å; D202-R205 PolarHBondContact O-N 3.36Å; D202-R205 IonicContact OD1-NH1 3.62Å; D202-A206 VanDerWaalsContact O-CB 3.26Å; D202-A206 WeakPolarHBondContact O-CB 3.44Å; D202-A206 PolarHBondContact O-N 3.25Å; D202-F255 HydrophobicContact CB-CD2 3.92Å; D202-F255 HydrophobicContact CB-CE2 3.93Å; D202-F255 WeakPolarHBondContact O-CE2 3.4Å; D202-F255 WeakPolarHBondContact OD1-CA 3.24Å; D202-F255 VanDerWaalsContact OD1-CD2 3.3Å; D202-F255 WeakPolarHBondContact OD1-CD2 3.42Å; D202-A256 PolarHBondContact OD1-N 3.09Å; D202-A256 VanDerWaalsContact OD2-CB 3.23Å; D202-A256 WeakPolarHBondContact OD2-CB 3.44Å
203	V	98.8	Very high	98.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-37.7	175.2	-172.6	0	0	0	0	110.4	I135 A155 T159 F161 L198 G200 R201 V208 A209	I135-V203 HydrophobicContact CD1-CG1 4.47Å; A155-V203 HydrophobicContact CB-CB 4.44Å; T159-V203 HydrophobicContact CG2-CB 4.39Å; T159-V203 HydrophobicContact CG2-CG1 4.2Å; T159-V203 HydrophobicContact CG2-CG2 3.99Å; F161-V203 HydrophobicContact CB-CG1 3.94Å; F161-V203 HydrophobicContact CB-CG2 3.85Å; F161-V203 HydrophobicContact CG-CG1 4.46Å; L198-V203 HydrophobicContact CB-CG2 3.9Å; G200-V203 WeakPolarHBondContact O-CB 3.49Å; G200-V203 WeakPolarHBondContact O-CG2 3.43Å; G200-V203 PolarHBondContact O-N 2.83Å; R201-V203 PolarHBondContact O-N 2.99Å; V203-V208 HydrophobicContact CG1-CB 3.81Å; V203-V208 HydrophobicContact CG1-CG1 3.82Å; V203-V208 WeakPolarHBondContact O-CB 3.38Å; V203-V208 PolarHBondContact O-N 3.45Å; V203-V208 VanDerWaalsContact O-N 3.08Å; V203-A209 HydrophobicContact CG1-CB 4.02Å; V203-A209 PolarHBondContact O-N 3.45Å
204	Q	97.9	Very high	98.4	Very high	47 Å²	47	30.1 Å²	30.1	22%	0.22	15%	0.146	C	C	.	.	H	α-helix	trans	-71.6	-45	174.7	-179.1	-93.7	-14.2	0	0	111.5	R201 D202 A206 G207 A209 F212	R201-Q204 PolarHBondContact O-N 2.78Å; R201-Q204 VanDerWaalsContact O-N 3.16Å; D202-Q204 VanDerWaalsContact C-N 3.3Å; Q204-A206 VanDerWaalsContact C-N 3.29Å; Q204-A206 PolarHBondContact O-N 2.99Å; Q204-G207 PolarHBondContact O-N 2.88Å; Q204-A209 WeakPolarHBondContact CA-O 3.3Å; Q204-A209 HydrophobicContact CB-CB 4.13Å; Q204-F212 HydrophobicContact CB-CB 4.4Å; Q204-F212 HydrophobicContact CG-CB 4.44Å
205	R	97.7	Very high	98.4	Very high	57 Å²	57	30.7 Å²	30.7	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-29.7	177.9	-69.6	177.8	-177.9	150.5	-1.6	114.4	R201 D202 G207 D250 S251 K253 P254 F255	R201-R205 WeakPolarHBondContact O-CG 3.32Å; R201-R205 PolarHBondContact O-N 3.5Å; D202-R205 PolarHBondContact O-N 3.36Å; D202-R205 IonicContact OD1-NH1 3.62Å; R205-G207 PolarHBondContact O-N 3.24Å; R205-D250 PolarHBondContact NH2-O 3.32Å; R205-S251 PolarHBondContact NH2-O 2.96Å; R205-K253 PolarHBondContact NH1-O 3.4Å; R205-K253 PolarHBondContact NH2-O 3.45Å; R205-P254 VanDerWaalsContact NH1-C 3.32Å; R205-P254 PolarHBondContact NH1-O 2.99Å; R205-P254 VanDerWaalsContact NH1-O 3.12Å; R205-F255 HydrophobicContact CB-CB 4.28Å; R205-F255 HydrophobicContact CB-CD2 3.72Å; R205-F255 HydrophobicContact CB-CE2 4.36Å; R205-F255 HydrophobicContact CB-CG 4.21Å
206	A	98.2	Very high	98.3	Very high	5 Å²	5	37.6 Å²	37.6	4%	0.041	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.3	172.5	0	0	0	0	0	112.9	L187 L198 D202 Q204 V208 F255	L187-A206 HydrophobicContact CD2-CB 3.96Å; L198-A206 HydrophobicContact CD1-CB 3.39Å; D202-A206 VanDerWaalsContact O-CB 3.26Å; D202-A206 WeakPolarHBondContact O-CB 3.44Å; D202-A206 PolarHBondContact O-N 3.25Å; Q204-A206 VanDerWaalsContact C-N 3.29Å; Q204-A206 PolarHBondContact O-N 2.99Å; A206-V208 HydrophobicContact CB-CG2 4.37Å; A206-F255 HydrophobicContact CB-CE2 4.07Å; A206-F255 HydrophobicContact CB-CZ 4.09Å
207	G	97.8	Very high	98.3	Very high	38 Å²	38	38.1 Å²	38.1	39%	0.392	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	4.6	-174.9	0	0	0	0	0	114.2	R153 Q204 R205	R153-G207 PolarHBondContact NH2-O 3.17Å; Q204-G207 PolarHBondContact O-N 2.88Å; R205-G207 PolarHBondContact O-N 3.24Å
208	V	98.6	Very high	98.3	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.024	16%	0.156	C	C	.	.	S	Bend	trans	-75	-43.7	176.5	175.7	0	0	0	0	110.6	R153 F161 L183 V203 A206	R153-V208 PolarHBondContact NE-O 3.07Å; R153-V208 PolarHBondContact NH2-O 3.18Å; F161-V208 HydrophobicContact CD1-CG2 4.45Å; F161-V208 HydrophobicContact CD2-CG1 3.6Å; F161-V208 HydrophobicContact CE1-CG2 4.12Å; F161-V208 HydrophobicContact CE2-CG1 3.64Å; F161-V208 HydrophobicContact CE2-CG2 4.22Å; F161-V208 HydrophobicContact CG-CG1 4.14Å; F161-V208 HydrophobicContact CZ-CG1 4.25Å; F161-V208 HydrophobicContact CZ-CG2 3.98Å; L183-V208 HydrophobicContact CD1-CG2 4.24Å; V203-V208 HydrophobicContact CG1-CB 3.81Å; V203-V208 HydrophobicContact CG1-CG1 3.82Å; V203-V208 WeakPolarHBondContact O-CB 3.38Å; V203-V208 PolarHBondContact O-N 3.45Å; V203-V208 VanDerWaalsContact O-N 3.08Å; A206-V208 HydrophobicContact CB-CG2 4.37Å
209	A	98.8	Very high	98.2	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	18%	0.182	C	C	.	.			trans	-94.9	147.3	167.3	0	0	0	0	0	110.7	I135 A155 V203 Q204	I135-A209 HydrophobicContact CD1-CB 4.24Å; A155-A209 HydrophobicContact CB-CB 3.58Å; V203-A209 HydrophobicContact CG1-CB 4.02Å; V203-A209 PolarHBondContact O-N 3.45Å; Q204-A209 WeakPolarHBondContact CA-O 3.3Å; Q204-A209 HydrophobicContact CB-CB 4.13Å
210	T	98.7	Very high	98.2	Very high	42 Å²	42	33.1 Å²	33.1	26%	0.258	17%	0.174	S	C	.	.	S	Bend	trans	-84.9	-35.8	172.8	54.4	0	0	0	0	111.7	R153	R153-T210 PolarHBondContact N-OG1 2.65Å; R153-T210 PolarHBondContact O-N 3.42Å; R153-T210 PolarHBondContact O-OG1 2.87Å
211	H	98.7	Very high	98.2	Very high	12 Å²	12	33 Å²	33	6%	0.056	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	158.7	-175.7	-61.6	80.6	0	0	0	111.9	F152 R153 A155 L240 Q244	F152-H211 AromaticContact CD1-CE1 3.97Å; R153-H211 PolarHBondContact O-N 3.03Å; A155-H211 PolarHBondContact N-O 3.44Å; H211-L240 HydrophobicContact CB-CB 4.28Å; H211-L240 VanDerWaalsContact CD2-CB 3.4Å; H211-L240 WeakPolarHBondContact CD2-CB 3.34Å; H211-Q244 VanDerWaalsContact CA-OE1 3.26Å
212	F	98.6	Very high	98.3	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	130.7	170.7	-179.3	-86.5	0	0	0	110.6	A155 E157 R201 Q204 E214 Q244 L249	A155-F212 HydrophobicContact CB-CD2 4.48Å; A155-F212 CarbonylContact O-C 3.6Å; A155-F212 WeakPolarHBondContact O-CA 3.46Å; E157-F212 HydrophobicContact CB-CZ 4.14Å; R201-F212 HydrophobicContact CB-CD2 3.92Å; R201-F212 HydrophobicContact CB-CE2 4.04Å; R201-F212 HydrophobicContact CB-CG 4.39Å; R201-F212 HydrophobicContact CG-CB 4.48Å; R201-F212 HydrophobicContact CG-CD2 4.25Å; R201-F212 HydrophobicContact CG-CG 4.26Å; R201-F212 VanDerWaalsContact NH2-CD1 3.29Å; Q204-F212 HydrophobicContact CB-CB 4.4Å; Q204-F212 HydrophobicContact CG-CB 4.44Å; F212-E214 HydrophobicContact CE1-CG 4.44Å; F212-Q244 WeakPolarHBondContact O-CA 3.19Å; F212-Q244 WeakPolarHBondContact O-CB 3.25Å; F212-L249 HydrophobicContact CE1-CB 4.32Å; F212-L249 HydrophobicContact CZ-CD2 4.28Å
213	V	98.4	Very high	98.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.204	C	C	.	.			trans	-138.9	135.7	176.4	178.5	0	0	0	0	109	V154 A155 T156 S215 K217 I218 L221 F243	V154-V213 HydrophobicContact CG1-CB 3.85Å; V154-V213 HydrophobicContact CG1-CG2 3.69Å; A155-V213 PolarHBondContact O-N 3.46Å; T156-V213 VanDerWaalsContact CA-O 3.26Å; T156-V213 WeakPolarHBondContact CA-O 3.48Å; T156-V213 WeakPolarHBondContact CB-O 3.43Å; T156-V213 WeakPolarHBondContact CG2-O 3.47Å; V213-S215 PolarHBondContact O-N 3.12Å; V213-K217 HydrophobicContact CG1-CB 3.92Å; V213-I218 HydrophobicContact CB-CD1 4.2Å; V213-I218 HydrophobicContact CG1-CD1 4.06Å; V213-L221 HydrophobicContact CG1-CD2 4.39Å; V213-L221 HydrophobicContact CG2-CD2 4.22Å; V213-F243 HydrophobicContact CG1-CB 4.07Å; V213-F243 HydrophobicContact CG1-CD1 4.02Å; V213-F243 HydrophobicContact CG1-CG 4.41Å; V213-F243 HydrophobicContact CG2-CB 3.65Å
214	E	98.3	Very high	98.2	Very high	30 Å²	30	46.1 Å²	46.1	14%	0.14	23%	0.228	C	C	.	.			trans	-60.4	136.4	177.3	-69.3	174.9	-139	0	0	111.3	E157 F212 K216 K217 S247 L249	E157-E214 WeakPolarHBondContact OE2-CA 3.46Å; F212-E214 HydrophobicContact CE1-CG 4.44Å; E214-K216 HydrophobicContact CB-CG 4.21Å; E214-K216 PolarHBondContact O-N 3.47Å; E214-K216 WeakPolarHBondContact OE2-CE 3.35Å; E214-K216 IonicContact OE2-NZ 3.33Å; E214-K216 PolarHBondContact OE2-NZ 3.47Å; E214-K217 WeakPolarHBondContact O-CA 3.37Å; E214-K217 WeakPolarHBondContact O-CB 3.35Å; E214-K217 PolarHBondContact O-N 3.23Å; E214-S247 VanDerWaalsContact CG-OG 3.23Å; E214-S247 WeakPolarHBondContact CG-OG 3.45Å; E214-S247 WeakPolarHBondContact OE1-CA 3.48Å; E214-S247 WeakPolarHBondContact OE1-CB 3.48Å; E214-S247 PolarHBondContact OE1-OG 3.49Å; E214-L249 HydrophobicContact CG-CB 4.06Å; E214-L249 HydrophobicContact CG-CD2 4.03Å
215	S	97.9	Very high	98.3	Very high	15 Å²	15	43.9 Å²	43.9	11%	0.105	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-57.3	-30.2	-174.9	72.8	0	0	0	0	113.1	E157 K158 V213 K217 I218	E157-S215 VanDerWaalsContact OE1-CB 3.22Å; E157-S215 WeakPolarHBondContact OE1-CB 3.49Å; E157-S215 PolarHBondContact OE1-OG 3.21Å; E157-S215 PolarHBondContact OE2-N 2.87Å; K158-S215 WeakPolarHBondContact CE-OG 3.5Å; K158-S215 PolarHBondContact NZ-OG 3.07Å; V213-S215 PolarHBondContact O-N 3.12Å; S215-K217 PolarHBondContact O-N 3.5Å; S215-I218 WeakPolarHBondContact O-CB 3.3Å; S215-I218 PolarHBondContact O-N 3.19Å
216	K	97.4	Very high	98.2	Very high	150 Å²	150	43.2 Å²	43.2	65%	0.652	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-64.5	-22.1	176	79.6	-167.8	-168.7	-152.2	0	113.8	E214	E214-K216 HydrophobicContact CB-CG 4.21Å; E214-K216 PolarHBondContact O-N 3.47Å; E214-K216 WeakPolarHBondContact OE2-CE 3.35Å; E214-K216 IonicContact OE2-NZ 3.33Å; E214-K216 PolarHBondContact OE2-NZ 3.47Å
217	K	98.3	Very high	98.2	Very high	68 Å²	68	45.7 Å²	45.7	30%	0.296	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-96.7	-6.4	-178.9	-72.2	-71.2	-176.7	167.1	0	113.3	V213 E214 S215 E220 L221 F243	V213-K217 HydrophobicContact CG1-CB 3.92Å; E214-K217 WeakPolarHBondContact O-CA 3.37Å; E214-K217 WeakPolarHBondContact O-CB 3.35Å; E214-K217 PolarHBondContact O-N 3.23Å; S215-K217 PolarHBondContact O-N 3.5Å; K217-E220 WeakPolarHBondContact CD-OE2 3.28Å; K217-E220 IonicContact NZ-OE1 2.72Å; K217-E220 IonicContact NZ-OE2 2.65Å; K217-E220 PolarHBondContact NZ-OE2 3.48Å; K217-E220 WeakPolarHBondContact O-CB 3.33Å; K217-E220 PolarHBondContact O-N 2.96Å; K217-L221 PolarHBondContact O-N 3.31Å; K217-F243 HydrophobicContact CB-CD1 4.12Å; K217-F243 HydrophobicContact CB-CE1 4.26Å
218	I	98.3	Very high	98.1	Very high	11 Å²	11	45.6 Å²	45.6	6%	0.056	24%	0.236	C	C	.	.	H	α-helix	trans	-58.1	-43.5	178.8	-64.9	-59.9	0	0	0	113.2	I134 V154 T156 V213 S215 E220 L221 E222	I134-I218 HydrophobicContact CD1-CG2 4.33Å; I134-I218 HydrophobicContact CG2-CD1 3.84Å; I134-I218 HydrophobicContact CG2-CG1 4.36Å; I134-I218 HydrophobicContact CG2-CG2 3.91Å; V154-I218 HydrophobicContact CG1-CD1 4.36Å; T156-I218 HydrophobicContact CG2-CD1 3.95Å; T156-I218 HydrophobicContact CG2-CG1 3.96Å; V213-I218 HydrophobicContact CB-CD1 4.2Å; V213-I218 HydrophobicContact CG1-CD1 4.06Å; S215-I218 WeakPolarHBondContact O-CB 3.3Å; S215-I218 PolarHBondContact O-N 3.19Å; I218-E220 VanDerWaalsContact C-N 3.28Å; I218-E220 PolarHBondContact O-N 3.23Å; I218-L221 HydrophobicContact CD1-CD2 4.15Å; I218-L221 PolarHBondContact O-N 2.77Å; I218-E222 HydrophobicContact CG2-CG 4.28Å; I218-E222 WeakPolarHBondContact CG2-OE1 3.4Å; I218-E222 WeakPolarHBondContact O-CG 3.41Å; I218-E222 PolarHBondContact O-N 3.46Å
219	P	98	Very high	97.8	Very high	84 Å²	84	53.8 Å²	53.8	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-59.9	-38.1	176.8	-25.2	35.5	0	0	0	113.4	Q223	P219-Q223 PolarHBondContact O-N 2.89Å; P219-Q223 VanDerWaalsContact O-N 3.17Å
220	E	98.5	Very high	97.4	Very high	82 Å²	82	57.7 Å²	57.7	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-69.1	-43.9	176.6	-172.8	-174.1	161.2	0	0	110.9	K217 I218 E222 Q223 R224 F243	K217-E220 WeakPolarHBondContact CD-OE2 3.28Å; K217-E220 IonicContact NZ-OE1 2.72Å; K217-E220 IonicContact NZ-OE2 2.65Å; K217-E220 PolarHBondContact NZ-OE2 3.48Å; K217-E220 WeakPolarHBondContact O-CB 3.33Å; K217-E220 PolarHBondContact O-N 2.96Å; I218-E220 VanDerWaalsContact C-N 3.28Å; I218-E220 PolarHBondContact O-N 3.23Å; E220-E222 PolarHBondContact O-N 2.78Å; E220-Q223 PolarHBondContact O-N 3.46Å; E220-R224 WeakPolarHBondContact O-CB 3.26Å; E220-R224 WeakPolarHBondContact O-CG 3.34Å; E220-R224 PolarHBondContact O-N 3.23Å; E220-F243 HydrophobicContact CB-CE1 4.22Å; E220-F243 HydrophobicContact CB-CZ 4.43Å; E220-F243 HydrophobicContact CG-CE1 4.14Å; E220-F243 HydrophobicContact CG-CZ 4.04Å
221	L	98.5	Very high	97.3	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.9	-45.4	175.1	171	61.6	0	0	0	111.8	V154 V213 K217 I218 R224 L225 L239 L240 F243	V154-L221 HydrophobicContact CG1-CD2 4.09Å; V213-L221 HydrophobicContact CG1-CD2 4.39Å; V213-L221 HydrophobicContact CG2-CD2 4.22Å; K217-L221 PolarHBondContact O-N 3.31Å; I218-L221 HydrophobicContact CD1-CD2 4.15Å; I218-L221 PolarHBondContact O-N 2.77Å; L221-R224 PolarHBondContact O-N 3.43Å; L221-L225 HydrophobicContact CD1-CD1 3.92Å; L221-L225 HydrophobicContact CD1-CG 3.97Å; L221-L225 HydrophobicContact CG-CD1 3.9Å; L221-L225 HydrophobicContact CG-CG 4.41Å; L221-L225 WeakPolarHBondContact O-CG 3.47Å; L221-L225 PolarHBondContact O-N 2.63Å; L221-L239 HydrophobicContact CD1-CD2 4.38Å; L221-L239 HydrophobicContact CD1-CG 4.35Å; L221-L240 HydrophobicContact CD1-CD2 3.7Å; L221-L240 HydrophobicContact CD2-CD2 3.91Å; L221-L240 HydrophobicContact CG-CD2 4.39Å; L221-F243 HydrophobicContact CB-CD1 4.23Å; L221-F243 HydrophobicContact CB-CE1 3.94Å; L221-F243 HydrophobicContact CB-CE2 4.35Å; L221-F243 HydrophobicContact CB-CZ 4Å; L221-F243 HydrophobicContact CD1-CD2 3.89Å; L221-F243 HydrophobicContact CD1-CE2 3.93Å; L221-F243 HydrophobicContact CD1-CG 4.36Å; L221-F243 HydrophobicContact CD1-CZ 4.44Å
222	E	98.1	Very high	97.2	Very high	37 Å²	37	58.4 Å²	58.4	17%	0.173	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-46.6	178.3	-75.4	177.8	-166.4	0	0	111.7	K83 I134 I218 E220 R224 L225 V226	K83-E222 WeakPolarHBondContact CD-OE1 3.06Å; K83-E222 WeakPolarHBondContact CE-OE1 3.23Å; K83-E222 IonicContact NZ-OE1 2.79Å; K83-E222 PolarHBondContact NZ-OE1 3.44Å; K83-E222 IonicContact NZ-OE2 2.89Å; K83-E222 PolarHBondContact NZ-OE2 2.95Å; I134-E222 HydrophobicContact CD1-CG 3.59Å; I218-E222 HydrophobicContact CG2-CG 4.28Å; I218-E222 WeakPolarHBondContact CG2-OE1 3.4Å; I218-E222 WeakPolarHBondContact O-CG 3.41Å; I218-E222 PolarHBondContact O-N 3.46Å; E220-E222 PolarHBondContact O-N 2.78Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 3.12Å; E222-L225 PolarHBondContact O-N 2.97Å; E222-V226 WeakPolarHBondContact O-CB 3.44Å; E222-V226 VanDerWaalsContact O-CG2 3.26Å; E222-V226 WeakPolarHBondContact O-CG2 3.23Å; E222-V226 PolarHBondContact O-N 3.4Å
223	Q	98.2	Very high	97.1	Very high	153 Å²	153	61.5 Å²	61.5	72%	0.715	33%	0.325	S	S	*	.	H	α-helix	trans	-58.1	-43	173.7	-85.5	-173.1	-15.2	0	0	111.9	P219 E220 V226 G227	P219-Q223 PolarHBondContact O-N 2.89Å; P219-Q223 VanDerWaalsContact O-N 3.17Å; E220-Q223 PolarHBondContact O-N 3.46Å; Q223-V226 PolarHBondContact O-N 2.98Å; Q223-G227 PolarHBondContact O-N 3.42Å
224	R	98.3	Very high	97.1	Very high	130 Å²	130	64.6 Å²	64.6	49%	0.491	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-38.3	179.4	-77.7	-59.4	-39.2	-106.9	-0.4	113	E220 L221 E222 L239 F243	E220-R224 WeakPolarHBondContact O-CB 3.26Å; E220-R224 WeakPolarHBondContact O-CG 3.34Å; E220-R224 PolarHBondContact O-N 3.23Å; L221-R224 PolarHBondContact O-N 3.43Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 3.12Å; R224-L239 HydrophobicContact CB-CD1 4.02Å; R224-L239 HydrophobicContact CB-CD2 3.87Å; R224-L239 HydrophobicContact CB-CG 4.49Å; R224-L239 HydrophobicContact CG-CD1 4.48Å; R224-F243 HydrophobicContact CB-CE2 4.39Å; R224-F243 HydrophobicContact CG-CE2 4.24Å; R224-F243 HydrophobicContact CG-CZ 4.11Å
225	L	98.2	Very high	97.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-67.3	-45.9	175.5	-76.5	165.8	0	0	0	111.3	M79 I81 V132 L221 E222 G227 L228 V236 L239	M79-L225 HydrophobicContact SD-CB 4.26Å; M79-L225 HydrophobicContact SD-CD2 4.4Å; I81-L225 HydrophobicContact CD1-CB 3.82Å; I81-L225 HydrophobicContact CD1-CD1 4.15Å; V132-L225 HydrophobicContact CG1-CD1 4.16Å; V132-L225 HydrophobicContact CG2-CD2 4.49Å; L221-L225 HydrophobicContact CD1-CD1 3.92Å; L221-L225 HydrophobicContact CD1-CG 3.97Å; L221-L225 HydrophobicContact CG-CD1 3.9Å; L221-L225 HydrophobicContact CG-CG 4.41Å; L221-L225 WeakPolarHBondContact O-CG 3.47Å; L221-L225 PolarHBondContact O-N 2.63Å; E222-L225 PolarHBondContact O-N 2.97Å; L225-G227 PolarHBondContact O-N 2.9Å; L225-L228 HydrophobicContact CD2-CD1 4.35Å; L225-L228 WeakPolarHBondContact O-CB 3.45Å; L225-L228 PolarHBondContact O-N 3.07Å; L225-L228 VanDerWaalsContact O-N 3.13Å; L225-V236 HydrophobicContact CD2-CG1 4.08Å; L225-L239 HydrophobicContact CD2-CD2 3.81Å; L225-L239 HydrophobicContact CG-CD2 3.95Å
226	V	97.5	Very high	97.2	Very high	44 Å²	44	65 Å²	65	27%	0.267	35%	0.349	S	S	.	.	H	α-helix	trans	-60	-34	176.9	164.5	0	0	0	0	112	A39 A42 I81 E222 Q223 L228	A39-V226 HydrophobicContact CB-CG1 3.84Å; A39-V226 HydrophobicContact CB-CG2 3.83Å; A39-V226 WeakPolarHBondContact O-CG1 3.48Å; A42-V226 HydrophobicContact CB-CG2 4.04Å; I81-V226 HydrophobicContact CD1-CG2 4.38Å; E222-V226 WeakPolarHBondContact O-CB 3.44Å; E222-V226 VanDerWaalsContact O-CG2 3.26Å; E222-V226 WeakPolarHBondContact O-CG2 3.23Å; E222-V226 PolarHBondContact O-N 3.4Å; Q223-V226 PolarHBondContact O-N 2.98Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.49Å
227	G	96.6	Very high	97.2	Very high	57 Å²	57	59.2 Å²	59.2	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	0.8	178.2	0	0	0	0	0	115.4	Q223 L225	Q223-G227 PolarHBondContact O-N 3.42Å; L225-G227 PolarHBondContact O-N 2.9Å
228	L	96.2	Very high	97.2	Very high	35 Å²	35	62.6 Å²	62.6	18%	0.183	34%	0.338	C	S	.	.			trans	-78.2	131.3	173.4	-67.9	175.3	0	0	0	110.3	M79 L225 V226 P231 V236 L239	M79-L228 HydrophobicContact CE-CB 4.23Å; M79-L228 HydrophobicContact CE-CD1 4.1Å; L225-L228 HydrophobicContact CD2-CD1 4.35Å; L225-L228 WeakPolarHBondContact O-CB 3.45Å; L225-L228 PolarHBondContact O-N 3.07Å; L225-L228 VanDerWaalsContact O-N 3.13Å; V226-L228 VanDerWaalsContact C-N 3.3Å; V226-L228 PolarHBondContact O-N 3.49Å; L228-P231 HydrophobicContact CB-CB 3.93Å; L228-P231 HydrophobicContact CB-CG 3.7Å; L228-P231 HydrophobicContact CD1-CB 3.98Å; L228-P231 HydrophobicContact CD1-CG 4.19Å; L228-P231 HydrophobicContact CG-CB 4.48Å; L228-V236 HydrophobicContact CD1-CG2 4.29Å; L228-L239 HydrophobicContact CD1-CD2 3.89Å; L228-L239 HydrophobicContact CG-CD2 4.36Å
229	E	91.4	Very high	97.2	Very high	177 Å²	177	62.5 Å²	62.5	83%	0.827	34%	0.338	S	S	*	.	S	Bend	trans	-99	116	178.1	-63.4	-179.7	176.7	0	0	110.1	P231	E229-P231 VanDerWaalsContact C-CD 3.43Å
230	S	92	Very high	97.3	Very high	84 Å²	84	58.5 Å²	58.5	59%	0.587	31%	0.312	S	S	*	.	S	Bend	trans	47.9	46.8	-179.8	-55.1	0	0	0	0	115.1	D78	D78-S230 WeakPolarHBondContact OD2-CA 3.38Å; D78-S230 PolarHBondContact OD2-N 3.27Å
231	P	96.4	Very high	97.2	Very high	12 Å²	12	59 Å²	59	8%	0.078	31%	0.314	C	S	.	.			trans	-67.6	140.6	-172.7	26.5	-34.8	0	0	0	113.1	M79 L228 E229 D235 V236	M79-P231 HydrophobicContact CE-CB 4.38Å; M79-P231 HydrophobicContact CE-CG 3.26Å; L228-P231 HydrophobicContact CB-CB 3.93Å; L228-P231 HydrophobicContact CB-CG 3.7Å; L228-P231 HydrophobicContact CD1-CB 3.98Å; L228-P231 HydrophobicContact CD1-CG 4.19Å; L228-P231 HydrophobicContact CG-CB 4.48Å; E229-P231 VanDerWaalsContact C-CD 3.43Å; P231-D235 HydrophobicContact CB-CB 3.95Å; P231-V236 HydrophobicContact CB-CG2 4.08Å; P231-V236 HydrophobicContact CG-CG2 4.27Å
232	S	96.6	Very high	97.2	Very high	57 Å²	57	61 Å²	61	40%	0.399	33%	0.328	S	S	.	.			trans	-73.7	166.8	162.4	71.5	0	0	0	0	110.9	S234 D235 V236	S232-S234 PolarHBondContact O-N 2.81Å; S232-S234 PolarHBondContact OG-N 2.79Å; S232-D235 WeakPolarHBondContact CB-OD2 3.5Å; S232-D235 PolarHBondContact N-OD2 3.14Å; S232-D235 PolarHBondContact O-N 3.09Å; S232-D235 VanDerWaalsContact O-N 3.1Å; S232-D235 VanDerWaalsContact OG-CG 3.3Å; S232-D235 PolarHBondContact OG-N 2.89Å; S232-D235 PolarHBondContact OG-OD2 3.12Å; S232-V236 PolarHBondContact O-N 3Å
233	D	97.2	Very high	97.2	Very high	64 Å²	64	59.8 Å²	59.8	34%	0.342	32%	0.323	S	S	.	.	H	α-helix	trans	-56.7	-33.4	170.2	-71.6	-27.1	0	0	0	111.7	P130 R151 F152 D235 V236 S237	P130-D233 WeakPolarHBondContact CG-OD1 3.33Å; R151-D233 VanDerWaalsContact CD-OD1 3.28Å; R151-D233 WeakPolarHBondContact CD-OD1 3.22Å; R151-D233 IonicContact CZ-OD1 3.76Å; R151-D233 IonicContact CZ-OD2 3.8Å; R151-D233 IonicContact NE-OD1 2.74Å; R151-D233 IonicContact NE-OD2 3.15Å; R151-D233 IonicContact NH1-OD1 3.69Å; R151-D233 PolarHBondContact NH1-OD1 2.83Å; R151-D233 IonicContact NH1-OD2 2.74Å; R151-D233 PolarHBondContact NH1-OD2 3.06Å; F152-D233 HydrophobicContact CE2-CB 4.38Å; F152-D233 HydrophobicContact CZ-CB 4.03Å; F152-D233 VanDerWaalsContact CZ-O 3.25Å; F152-D233 WeakPolarHBondContact CZ-O 3.41Å; D233-D235 VanDerWaalsContact C-N 3.35Å; D233-D235 PolarHBondContact O-N 3.12Å; D233-V236 PolarHBondContact O-N 2.89Å; D233-S237 WeakPolarHBondContact O-CB 3.37Å; D233-S237 PolarHBondContact O-N 3.11Å
234	S	98	Very high	97.2	Very high	67 Å²	67	54.5 Å²	54.5	47%	0.469	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-37.5	177.6	-170.8	0	0	0	0	112.3	S232 S237 R238	S232-S234 PolarHBondContact O-N 2.81Å; S232-S234 PolarHBondContact OG-N 2.79Å; S234-S237 PolarHBondContact O-N 3Å; S234-R238 WeakPolarHBondContact O-CB 3.47Å; S234-R238 PolarHBondContact O-N 3.27Å; S234-R238 PolarHBondContact OG-NH2 2.82Å
235	D	98.2	Very high	97	Very high	53 Å²	53	53.7 Å²	53.7	28%	0.283	31%	0.308	S	S	.	.	H	α-helix	trans	-69.5	-40.5	179.3	-58.8	-51.1	0	0	0	111.3	P231 S232 D233 R238 L239	P231-D235 HydrophobicContact CB-CB 3.95Å; S232-D235 WeakPolarHBondContact CB-OD2 3.5Å; S232-D235 PolarHBondContact N-OD2 3.14Å; S232-D235 PolarHBondContact O-N 3.09Å; S232-D235 VanDerWaalsContact O-N 3.1Å; S232-D235 VanDerWaalsContact OG-CG 3.3Å; S232-D235 PolarHBondContact OG-N 2.89Å; S232-D235 PolarHBondContact OG-OD2 3.12Å; D233-D235 VanDerWaalsContact C-N 3.35Å; D233-D235 PolarHBondContact O-N 3.12Å; D235-R238 IonicContact OD1-CZ 2.82Å; D235-R238 IonicContact OD1-NH1 3.68Å; D235-R238 PolarHBondContact OD1-NH1 3.25Å; D235-R238 IonicContact OD1-NH2 3.49Å; D235-L239 PolarHBondContact O-N 3.46Å; D235-L239 VanDerWaalsContact O-N 3.09Å
236	V	98.6	Very high	96.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-47.2	173.2	179.7	0	0	0	0	110.6	M79 P130 V132 F152 L225 L228 P231 S232 D233 R238 L239 L240	M79-V236 HydrophobicContact CE-CG2 4.07Å; P130-V236 HydrophobicContact CB-CG2 4.06Å; P130-V236 HydrophobicContact CG-CG2 4.34Å; V132-V236 HydrophobicContact CG2-CG1 3.8Å; F152-V236 HydrophobicContact CD1-CG1 4.32Å; F152-V236 HydrophobicContact CD2-CB 4.29Å; F152-V236 HydrophobicContact CD2-CG1 3.58Å; F152-V236 HydrophobicContact CE1-CG1 4.35Å; F152-V236 HydrophobicContact CE2-CB 3.79Å; F152-V236 HydrophobicContact CE2-CG1 3.61Å; F152-V236 HydrophobicContact CG-CG1 3.96Å; F152-V236 HydrophobicContact CZ-CB 3.97Å; F152-V236 HydrophobicContact CZ-CG1 4.02Å; L225-V236 HydrophobicContact CD2-CG1 4.08Å; L228-V236 HydrophobicContact CD1-CG2 4.29Å; P231-V236 HydrophobicContact CB-CG2 4.08Å; P231-V236 HydrophobicContact CG-CG2 4.27Å; S232-V236 PolarHBondContact O-N 3Å; D233-V236 PolarHBondContact O-N 2.89Å; V236-R238 PolarHBondContact O-N 3.04Å; V236-L239 PolarHBondContact O-N 3.05Å; V236-L240 HydrophobicContact CG1-CD1 3.98Å; V236-L240 HydrophobicContact CG1-CG 4.37Å; V236-L240 WeakPolarHBondContact O-CG 3.41Å; V236-L240 PolarHBondContact O-N 3.07Å
237	S	98.5	Very high	96.5	Very high	28 Å²	28	57.9 Å²	57.9	20%	0.196	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-49.7	177.7	-159.2	0	0	0	0	111.7	D233 S234 L239 L240 E241	D233-S237 WeakPolarHBondContact O-CB 3.37Å; D233-S237 PolarHBondContact O-N 3.11Å; S234-S237 PolarHBondContact O-N 3Å; S237-L239 VanDerWaalsContact C-N 3.28Å; S237-L239 PolarHBondContact O-N 2.95Å; S237-L240 PolarHBondContact O-N 2.73Å; S237-L240 VanDerWaalsContact O-N 3.11Å; S237-E241 WeakPolarHBondContact O-CB 3.38Å; S237-E241 VanDerWaalsContact O-CG 3.3Å; S237-E241 WeakPolarHBondContact O-CG 3.32Å; S237-E241 PolarHBondContact O-N 3.3Å; S237-E241 PolarHBondContact OG-OE1 2.72Å
238	R	98.6	Very high	96.2	Very high	139 Å²	139	61.5 Å²	61.5	53%	0.525	33%	0.331	S	S	.	.	H	α-helix	trans	-59.5	-39.7	-179.9	-167.5	-173.7	-52.8	115	9.8	111.9	S234 D235 V236 S242	S234-R238 WeakPolarHBondContact O-CB 3.47Å; S234-R238 PolarHBondContact O-N 3.27Å; S234-R238 PolarHBondContact OG-NH2 2.82Å; D235-R238 IonicContact OD1-CZ 2.82Å; D235-R238 IonicContact OD1-NH1 3.68Å; D235-R238 PolarHBondContact OD1-NH1 3.25Å; D235-R238 IonicContact OD1-NH2 3.49Å; V236-R238 PolarHBondContact O-N 3.04Å; R238-S242 PolarHBondContact O-N 3.09Å
239	L	98.6	Very high	96.1	Very high	10 Å²	10	62.7 Å²	62.7	5%	0.052	34%	0.337	C	S	.	.	H	α-helix	trans	-63.3	-50.8	174.9	179.9	62.7	0	0	0	110.7	L221 R224 L225 L228 D235 V236 S237 E241 S242 F243	L221-L239 HydrophobicContact CD1-CD2 4.38Å; L221-L239 HydrophobicContact CD1-CG 4.35Å; R224-L239 HydrophobicContact CB-CD1 4.02Å; R224-L239 HydrophobicContact CB-CD2 3.87Å; R224-L239 HydrophobicContact CB-CG 4.49Å; R224-L239 HydrophobicContact CG-CD1 4.48Å; L225-L239 HydrophobicContact CD2-CD2 3.81Å; L225-L239 HydrophobicContact CG-CD2 3.95Å; L228-L239 HydrophobicContact CD1-CD2 3.89Å; L228-L239 HydrophobicContact CG-CD2 4.36Å; D235-L239 PolarHBondContact O-N 3.46Å; D235-L239 VanDerWaalsContact O-N 3.09Å; V236-L239 PolarHBondContact O-N 3.05Å; S237-L239 VanDerWaalsContact C-N 3.28Å; S237-L239 PolarHBondContact O-N 2.95Å; L239-E241 VanDerWaalsContact C-N 3.35Å; L239-E241 PolarHBondContact O-N 3.13Å; L239-S242 WeakPolarHBondContact O-CB 3.29Å; L239-S242 PolarHBondContact O-N 2.81Å; L239-S242 VanDerWaalsContact O-N 3.12Å; L239-S242 PolarHBondContact O-OG 3.33Å; L239-F243 HydrophobicContact CD1-CD2 4.24Å; L239-F243 HydrophobicContact CD1-CE2 3.83Å; L239-F243 HydrophobicContact CG-CE2 4.37Å; L239-F243 WeakPolarHBondContact O-CD2 3.28Å; L239-F243 PolarHBondContact O-N 3.41Å
240	L	98.6	Very high	96.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.4	-41.4	-179.9	-65	175.5	0	0	0	112.4	F152 V154 H211 L221 V236 S237 S242 F243 Q244	F152-L240 HydrophobicContact CB-CD1 3.71Å; F152-L240 HydrophobicContact CD1-CD1 3.65Å; F152-L240 HydrophobicContact CG-CD1 3.8Å; V154-L240 HydrophobicContact CG2-CD1 4.14Å; V154-L240 HydrophobicContact CG2-CD2 3.62Å; H211-L240 HydrophobicContact CB-CB 4.28Å; H211-L240 VanDerWaalsContact CD2-CB 3.4Å; H211-L240 WeakPolarHBondContact CD2-CB 3.34Å; L221-L240 HydrophobicContact CD1-CD2 3.7Å; L221-L240 HydrophobicContact CD2-CD2 3.91Å; L221-L240 HydrophobicContact CG-CD2 4.39Å; V236-L240 HydrophobicContact CG1-CD1 3.98Å; V236-L240 HydrophobicContact CG1-CG 4.37Å; V236-L240 WeakPolarHBondContact O-CG 3.41Å; V236-L240 PolarHBondContact O-N 3.07Å; S237-L240 PolarHBondContact O-N 2.73Å; S237-L240 VanDerWaalsContact O-N 3.11Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.81Å; L240-F243 PolarHBondContact O-N 2.93Å; L240-Q244 PolarHBondContact O-N 3.21Å
241	E	98.1	Very high	95.9	Very high	91 Å²	91	54.7 Å²	54.7	43%	0.425	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-38.5	173.8	-74.2	164.2	-150.8	0	0	112.1	S237 L239 F243 Q244 T245	S237-E241 WeakPolarHBondContact O-CB 3.38Å; S237-E241 VanDerWaalsContact O-CG 3.3Å; S237-E241 WeakPolarHBondContact O-CG 3.32Å; S237-E241 PolarHBondContact O-N 3.3Å; S237-E241 PolarHBondContact OG-OE1 2.72Å; L239-E241 VanDerWaalsContact C-N 3.35Å; L239-E241 PolarHBondContact O-N 3.13Å; E241-F243 VanDerWaalsContact C-N 3.31Å; E241-F243 PolarHBondContact O-N 3.44Å; E241-Q244 PolarHBondContact O-N 3.48Å; E241-T245 WeakPolarHBondContact O-CG2 3.5Å; E241-T245 PolarHBondContact O-N 3.27Å; E241-T245 PolarHBondContact O-OG1 2.79Å
242	S	98.2	Very high	95.7	Very high	42 Å²	42	61.6 Å²	61.6	29%	0.294	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-34.9	177.2	78.6	0	0	0	0	112.8	R238 L239 L240 T245 Q246	R238-S242 PolarHBondContact O-N 3.09Å; L239-S242 WeakPolarHBondContact O-CB 3.29Å; L239-S242 PolarHBondContact O-N 2.81Å; L239-S242 VanDerWaalsContact O-N 3.12Å; L239-S242 PolarHBondContact O-OG 3.33Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.81Å; S242-T245 PolarHBondContact O-OG1 3.38Å; S242-Q246 VanDerWaalsContact O-CG 3.24Å; S242-Q246 WeakPolarHBondContact O-CG 3.38Å; S242-Q246 PolarHBondContact O-NE2 3.27Å
243	F	98.1	Very high	95.5	Very high	12 Å²	12	64.8 Å²	64.8	5%	0.053	34%	0.34	C	S	.	.	H	α-helix	trans	-75.4	-37.3	173.4	-82.2	-98.6	0	0	0	111.7	V213 K217 E220 L221 R224 L239 L240 E241 Q246	V213-F243 HydrophobicContact CG1-CB 4.07Å; V213-F243 HydrophobicContact CG1-CD1 4.02Å; V213-F243 HydrophobicContact CG1-CG 4.41Å; V213-F243 HydrophobicContact CG2-CB 3.65Å; K217-F243 HydrophobicContact CB-CD1 4.12Å; K217-F243 HydrophobicContact CB-CE1 4.26Å; E220-F243 HydrophobicContact CB-CE1 4.22Å; E220-F243 HydrophobicContact CB-CZ 4.43Å; E220-F243 HydrophobicContact CG-CE1 4.14Å; E220-F243 HydrophobicContact CG-CZ 4.04Å; L221-F243 HydrophobicContact CB-CD1 4.23Å; L221-F243 HydrophobicContact CB-CE1 3.94Å; L221-F243 HydrophobicContact CB-CE2 4.35Å; L221-F243 HydrophobicContact CB-CZ 4Å; L221-F243 HydrophobicContact CD1-CD2 3.89Å; L221-F243 HydrophobicContact CD1-CE2 3.93Å; L221-F243 HydrophobicContact CD1-CG 4.36Å; L221-F243 HydrophobicContact CD1-CZ 4.44Å; R224-F243 HydrophobicContact CB-CE2 4.39Å; R224-F243 HydrophobicContact CG-CE2 4.24Å; R224-F243 HydrophobicContact CG-CZ 4.11Å; L239-F243 HydrophobicContact CD1-CD2 4.24Å; L239-F243 HydrophobicContact CD1-CE2 3.83Å; L239-F243 HydrophobicContact CG-CE2 4.37Å; L239-F243 WeakPolarHBondContact O-CD2 3.28Å; L239-F243 PolarHBondContact O-N 3.41Å; L240-F243 PolarHBondContact O-N 2.93Å; E241-F243 VanDerWaalsContact C-N 3.31Å; E241-F243 PolarHBondContact O-N 3.44Å; F243-Q246 PolarHBondContact O-N 2.92Å
244	Q	96.7	Very high	95.4	Very high	43 Å²	43	66 Å²	66	20%	0.201	35%	0.351	C	S	.	.	H	α-helix	trans	-64.6	-42.9	179.1	-179.2	171.9	-82	0	0	112.2	H211 F212 L240 E241 Q246 S247	H211-Q244 VanDerWaalsContact CA-OE1 3.26Å; F212-Q244 WeakPolarHBondContact O-CA 3.19Å; F212-Q244 WeakPolarHBondContact O-CB 3.25Å; L240-Q244 PolarHBondContact O-N 3.21Å; E241-Q244 PolarHBondContact O-N 3.48Å; Q244-Q246 PolarHBondContact O-N 3.47Å; Q244-S247 PolarHBondContact O-N 3.45Å; Q244-S247 VanDerWaalsContact O-N 3.14Å
245	T	94.7	Very high	95.3	Very high	113 Å²	113	63.3 Å²	63.3	69%	0.693	33%	0.331	S	S	*	.	H	α-helix	trans	-69.3	-20.7	-180	51.5	0	0	0	0	113.2	E241 S242 S247	E241-T245 WeakPolarHBondContact O-CG2 3.5Å; E241-T245 PolarHBondContact O-N 3.27Å; E241-T245 PolarHBondContact O-OG1 2.79Å; S242-T245 PolarHBondContact O-OG1 3.38Å; T245-S247 VanDerWaalsContact C-N 3.32Å
246	Q	93.1	Very high	95.2	Very high	125 Å²	125	63.5 Å²	63.5	58%	0.584	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.4	173.2	-69.6	173.3	14.5	0	0	113.7	S242 F243 Q244	S242-Q246 VanDerWaalsContact O-CG 3.24Å; S242-Q246 WeakPolarHBondContact O-CG 3.38Å; S242-Q246 PolarHBondContact O-NE2 3.27Å; F243-Q246 PolarHBondContact O-N 2.92Å; Q244-Q246 PolarHBondContact O-N 3.47Å
247	S	91.9	Very high	95	Very high	6 Å²	6	63.7 Å²	63.7	4%	0.042	34%	0.341	C	S	.	.			trans	-103.2	110.4	-177.2	-176.7	0	0	0	0	112.7	R201 E214 Q244 T245 L249	R201-S247 PolarHBondContact NH2-O 2.72Å; R201-S247 PolarHBondContact NH2-OG 3.06Å; E214-S247 VanDerWaalsContact CG-OG 3.23Å; E214-S247 WeakPolarHBondContact CG-OG 3.45Å; E214-S247 WeakPolarHBondContact OE1-CA 3.48Å; E214-S247 WeakPolarHBondContact OE1-CB 3.48Å; E214-S247 PolarHBondContact OE1-OG 3.49Å; Q244-S247 PolarHBondContact O-N 3.45Å; Q244-S247 VanDerWaalsContact O-N 3.14Å; T245-S247 VanDerWaalsContact C-N 3.32Å; S247-L249 VanDerWaalsContact C-N 3.29Å; S247-L249 PolarHBondContact OG-N 3.3Å
248	D	91.1	Very high	94.8	Very high	133 Å²	133	66.5 Å²	66.5	71%	0.711	35%	0.354	S	S	*	.			trans	-83.2	-5	172.1	-60	-37.6	0	0	0	112.8	D250 S251	D248-D250 PolarHBondContact O-N 3.4Å; D248-S251 PolarHBondContact O-N 3.24Å; D248-S251 PolarHBondContact O-OG 3.3Å
249	L	92.6	Very high	94.7	Very high	61 Å²	61	68.5 Å²	68.5	32%	0.319	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	111.5	-174.5	-173.4	63.3	0	0	0	111	E157 R201 F212 E214 S247 S251	E157-L249 HydrophobicContact CB-CD2 3.53Å; E157-L249 HydrophobicContact CG-CD2 3.79Å; R201-L249 PolarHBondContact NE-O 2.77Å; R201-L249 PolarHBondContact NH2-O 3.14Å; F212-L249 HydrophobicContact CE1-CB 4.32Å; F212-L249 HydrophobicContact CZ-CD2 4.28Å; E214-L249 HydrophobicContact CG-CB 4.06Å; E214-L249 HydrophobicContact CG-CD2 4.03Å; S247-L249 VanDerWaalsContact C-N 3.29Å; S247-L249 PolarHBondContact OG-N 3.3Å; L249-S251 PolarHBondContact O-N 2.96Å; L249-S251 VanDerWaalsContact O-N 3.17Å
250	D	91.5	Very high	94.6	Very high	50 Å²	50	70.9 Å²	70.9	27%	0.267	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	15.9	-177.8	-59	-23.8	0	0	0	114.9	R201 R205 D248 D252 K253	R201-D250 HydrophobicContact CB-CB 4.48Å; R201-D250 WeakPolarHBondContact CD-O 3.4Å; R205-D250 PolarHBondContact NH2-O 3.32Å; D248-D250 PolarHBondContact O-N 3.4Å; D250-D252 VanDerWaalsContact C-N 3.33Å; D250-D252 PolarHBondContact O-N 3.2Å; D250-K253 HydrophobicContact CB-CB 4.47Å; D250-K253 HydrophobicContact CB-CD 3.97Å; D250-K253 HydrophobicContact CB-CG 4.36Å; D250-K253 PolarHBondContact O-N 3.35Å; D250-K253 VanDerWaalsContact OD1-CD 3.29Å; D250-K253 WeakPolarHBondContact OD1-CD 3.35Å; D250-K253 WeakPolarHBondContact OD1-CE 3.3Å; D250-K253 IonicContact OD1-NZ 3.56Å; D250-K253 PolarHBondContact OD1-NZ 3.06Å; D250-K253 IonicContact OD2-NZ 3.32Å
251	S	88.8	Confident	94.4	Very high	42 Å²	42	72.5 Å²	72.5	29%	0.294	39%	0.387	S	S	.	.	S	Bend	trans	-57.5	-44.3	179.8	53.7	0	0	0	0	112.1	R205 D248 L249	R205-S251 PolarHBondContact NH2-O 2.96Å; D248-S251 PolarHBondContact O-N 3.24Å; D248-S251 PolarHBondContact O-OG 3.3Å; L249-S251 PolarHBondContact O-N 2.96Å; L249-S251 VanDerWaalsContact O-N 3.17Å
252	D	91.8	Very high	94.4	Very high	158 Å²	158	72 Å²	72	85%	0.845	39%	0.394	S	S	*	.	S	Bend	trans	-84.9	-14.3	-177.5	-62.3	-32	0	0	0	114.5	D250	D250-D252 VanDerWaalsContact C-N 3.33Å; D250-D252 PolarHBondContact O-N 3.2Å
253	K	93.4	Very high	94.3	Very high	124 Å²	124	71.9 Å²	71.9	54%	0.539	39%	0.39	S	S	.	.	S	Bend	trans	-66.4	137.5	177.9	-68.3	-174.2	-177.7	165.7	0	108.5	R205 D250	R205-K253 PolarHBondContact NH1-O 3.4Å; R205-K253 PolarHBondContact NH2-O 3.45Å; D250-K253 HydrophobicContact CB-CB 4.47Å; D250-K253 HydrophobicContact CB-CD 3.97Å; D250-K253 HydrophobicContact CB-CG 4.36Å; D250-K253 PolarHBondContact O-N 3.35Å; D250-K253 VanDerWaalsContact OD1-CD 3.29Å; D250-K253 WeakPolarHBondContact OD1-CD 3.35Å; D250-K253 WeakPolarHBondContact OD1-CE 3.3Å; D250-K253 IonicContact OD1-NZ 3.56Å; D250-K253 PolarHBondContact OD1-NZ 3.06Å; D250-K253 IonicContact OD2-NZ 3.32Å
254	P	93.5	Very high	94.4	Very high	90 Å²	90	71.4 Å²	71.4	58%	0.584	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-67.6	165	171.6	28.2	-34.1	0	0	0	111.3	R205 A256	R205-P254 VanDerWaalsContact NH1-C 3.32Å; R205-P254 PolarHBondContact NH1-O 2.99Å; R205-P254 VanDerWaalsContact NH1-O 3.12Å; P254-A256 PolarHBondContact O-N 3.31Å
255	F	96.4	Very high	94.4	Very high	10 Å²	10	72.3 Å²	72.3	4%	0.044	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-58.6	136.7	171	175.4	-127.5	0	0	0	110.6	R184 L187 L198 D202 R205 A206 L257 D258	R184-F255 VanDerWaalsContact NH2-CE1 3.3Å; L187-F255 HydrophobicContact CD1-CZ 4.41Å; L187-F255 HydrophobicContact CD2-CE1 4.48Å; L187-F255 HydrophobicContact CD2-CZ 4.22Å; L198-F255 HydrophobicContact CD2-CE2 3.96Å; L198-F255 HydrophobicContact CD2-CZ 4.2Å; D202-F255 HydrophobicContact CB-CD2 3.92Å; D202-F255 HydrophobicContact CB-CE2 3.93Å; D202-F255 WeakPolarHBondContact O-CE2 3.4Å; D202-F255 WeakPolarHBondContact OD1-CA 3.24Å; D202-F255 VanDerWaalsContact OD1-CD2 3.3Å; D202-F255 WeakPolarHBondContact OD1-CD2 3.42Å; R205-F255 HydrophobicContact CB-CB 4.28Å; R205-F255 HydrophobicContact CB-CD2 3.72Å; R205-F255 HydrophobicContact CB-CE2 4.36Å; R205-F255 HydrophobicContact CB-CG 4.21Å; A206-F255 HydrophobicContact CB-CE2 4.07Å; A206-F255 HydrophobicContact CB-CZ 4.09Å; F255-L257 HydrophobicContact CD1-CB 3.99Å; F255-L257 HydrophobicContact CE1-CB 3.51Å; F255-L257 HydrophobicContact CE1-CD1 4.33Å; F255-L257 HydrophobicContact CE1-CG 4.31Å; F255-L257 HydrophobicContact CZ-CB 3.96Å; F255-L257 HydrophobicContact CZ-CD1 4.03Å; F255-L257 HydrophobicContact CZ-CG 4.27Å; F255-L257 PolarHBondContact O-N 3.36Å; F255-L257 VanDerWaalsContact O-N 3.1Å; F255-D258 HydrophobicContact CB-CB 4.1Å; F255-D258 WeakPolarHBondContact O-CB 3.49Å; F255-D258 PolarHBondContact O-N 2.65Å
256	A	95.6	Very high	94.6	Very high	57 Å²	57	73.1 Å²	73.1	47%	0.471	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.8	-175.2	0	0	0	0	0	114.3	D202 P254	D202-A256 PolarHBondContact OD1-N 3.09Å; D202-A256 VanDerWaalsContact OD2-CB 3.23Å; D202-A256 WeakPolarHBondContact OD2-CB 3.44Å; P254-A256 PolarHBondContact O-N 3.31Å
257	L	96	Very high	94.9	Very high	4 Å²	4	67.2 Å²	67.2	2%	0.021	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	12.1	177	-58.5	168.7	0	0	0	112.9	L187 F190 F196 L198 F255 K259 H260 T261 I264	L187-L257 HydrophobicContact CD1-CD1 3.71Å; F190-L257 HydrophobicContact CD1-CD1 4.1Å; F190-L257 HydrophobicContact CE1-CD1 3.65Å; F190-L257 HydrophobicContact CE1-CD2 4.16Å; F190-L257 HydrophobicContact CZ-CD2 4.41Å; F196-L257 HydrophobicContact CD1-CD1 4.18Å; F196-L257 HydrophobicContact CE1-CD1 4.05Å; F196-L257 HydrophobicContact CE1-CD2 3.92Å; F196-L257 HydrophobicContact CE1-CG 4.1Å; F196-L257 HydrophobicContact CE2-CD2 4.16Å; F196-L257 HydrophobicContact CZ-CD2 3.7Å; F196-L257 HydrophobicContact CZ-CG 4.35Å; L198-L257 HydrophobicContact CD2-CD1 4.13Å; F255-L257 HydrophobicContact CD1-CB 3.99Å; F255-L257 HydrophobicContact CE1-CB 3.51Å; F255-L257 HydrophobicContact CE1-CD1 4.33Å; F255-L257 HydrophobicContact CE1-CG 4.31Å; F255-L257 HydrophobicContact CZ-CB 3.96Å; F255-L257 HydrophobicContact CZ-CD1 4.03Å; F255-L257 HydrophobicContact CZ-CG 4.27Å; F255-L257 PolarHBondContact O-N 3.36Å; F255-L257 VanDerWaalsContact O-N 3.1Å; L257-K259 PolarHBondContact O-N 2.75Å; L257-H260 CarbonylContact O-C 3.41Å; L257-H260 PolarHBondContact O-N 3.26Å; L257-T261 PolarHBondContact O-N 3.06Å; L257-T261 PolarHBondContact O-OG1 2.79Å; L257-I264 HydrophobicContact CB-CD1 4.24Å; L257-I264 HydrophobicContact CD1-CD1 4.22Å; L257-I264 HydrophobicContact CD2-CD1 4.35Å
258	D	94.1	Very high	95.2	Very high	87 Å²	87	67 Å²	67	47%	0.465	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-58.5	-49.3	-176.4	-158.6	56.7	0	0	0	111.4	F255 H260 T261	F255-D258 HydrophobicContact CB-CB 4.1Å; F255-D258 WeakPolarHBondContact O-CB 3.49Å; F255-D258 PolarHBondContact O-N 2.65Å; D258-H260 PolarHBondContact O-N 2.85Å; D258-H260 VanDerWaalsContact O-N 3.08Å; D258-T261 PolarHBondContact O-N 3.06Å; D258-T261 VanDerWaalsContact O-N 3.12Å; D258-T261 PolarHBondContact O-OG1 3.12Å
259	K	95.3	Very high	95.5	Very high	180 Å²	180	62.7 Å²	62.7	78%	0.783	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-61.8	-18.4	176.5	-62.9	-176.3	179.9	-178.7	0	114.4	L257	L257-K259 PolarHBondContact O-N 2.75Å
260	H	96.6	Very high	95.7	Very high	60 Å²	60	61.2 Å²	61.2	28%	0.278	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-111.7	3.9	-178	-60.1	-54.1	0	0	0	112.5	L257 D258 S262 D263 I264 F287	L257-H260 CarbonylContact O-C 3.41Å; L257-H260 PolarHBondContact O-N 3.26Å; D258-H260 PolarHBondContact O-N 2.85Å; D258-H260 VanDerWaalsContact O-N 3.08Å; H260-S262 PolarHBondContact O-N 3.19Å; H260-D263 IonicContact ND1-OD2 3.74Å; H260-D263 PolarHBondContact O-N 3.14Å; H260-I264 HydrophobicContact CB-CD1 4.35Å; H260-I264 WeakPolarHBondContact O-CB 3.46Å; H260-I264 VanDerWaalsContact O-CG1 3.27Å; H260-I264 WeakPolarHBondContact O-CG1 3.31Å; H260-I264 PolarHBondContact O-N 2.78Å; H260-F287 HydrophobicContact CB-CD2 4.27Å; H260-F287 HydrophobicContact CB-CE1 4.36Å; H260-F287 HydrophobicContact CB-CE2 4.02Å; H260-F287 HydrophobicContact CB-CZ 4.08Å; H260-F287 AromaticContact CD2-CD2 3.76Å; H260-F287 AromaticContact CE1-CD2 3.99Å; H260-F287 AromaticContact CE1-CG 3.97Å; H260-F287 AromaticContact CG-CD2 3.7Å; H260-F287 AromaticContact CG-CE2 3.93Å; H260-F287 AromaticContact CG-CG 3.99Å; H260-F287 AromaticContact ND1-CD2 3.86Å; H260-F287 AromaticContact ND1-CG 3.71Å; H260-F287 AromaticContact NE2-CD2 3.96Å
261	T	95.2	Very high	95.9	Very high	34 Å²	34	63.6 Å²	63.6	21%	0.209	36%	0.357	C	S	.	.	H	α-helix	trans	-63.4	-45.9	-174.5	-67.4	0	0	0	0	111	R184 L257 D258 D263 I264 D265	R184-T261 PolarHBondContact NH2-OG1 2.65Å; L257-T261 PolarHBondContact O-N 3.06Å; L257-T261 PolarHBondContact O-OG1 2.79Å; D258-T261 PolarHBondContact O-N 3.06Å; D258-T261 VanDerWaalsContact O-N 3.12Å; D258-T261 PolarHBondContact O-OG1 3.12Å; T261-D263 VanDerWaalsContact C-N 3.32Å; T261-D263 PolarHBondContact O-N 3.07Å; T261-I264 PolarHBondContact O-N 3.07Å; T261-D265 PolarHBondContact O-N 2.84Å
262	S	96.9	Very high	96.4	Very high	82 Å²	82	63.5 Å²	63.5	57%	0.573	36%	0.357	S	S	*	.	H	α-helix	trans	-64.5	-36	175.1	54.8	0	0	0	0	113	H260 R266	H260-S262 PolarHBondContact O-N 3.19Å; S262-R266 WeakPolarHBondContact O-CB 3.47Å; S262-R266 PolarHBondContact O-N 3.17Å
263	D	97.9	Very high	96.7	Very high	38 Å²	38	56 Å²	56	20%	0.203	32%	0.317	C	S	.	.	H	α-helix	trans	-69.1	-41.8	176.8	-69.3	-28.9	0	0	0	111.3	H260 T261 D265 R266 L267 F287	H260-D263 IonicContact ND1-OD2 3.74Å; H260-D263 PolarHBondContact O-N 3.14Å; T261-D263 VanDerWaalsContact C-N 3.32Å; T261-D263 PolarHBondContact O-N 3.07Å; D263-D265 PolarHBondContact O-N 2.88Å; D263-R266 PolarHBondContact O-N 3.03Å; D263-R266 IonicContact OD1-CZ 2.79Å; D263-R266 IonicContact OD1-NE 2.78Å; D263-R266 IonicContact OD1-NH2 3.98Å; D263-R266 PolarHBondContact OD1-NH2 3.23Å; D263-L267 HydrophobicContact CB-CD1 3.98Å; D263-L267 WeakPolarHBondContact O-CB 3.24Å; D263-L267 WeakPolarHBondContact O-CD1 3.26Å; D263-L267 WeakPolarHBondContact O-CG 3.1Å; D263-L267 PolarHBondContact O-N 3.14Å; D263-F287 HydrophobicContact CB-CD1 4.45Å; D263-F287 HydrophobicContact CB-CE1 4.43Å
264	I	98.6	Very high	97	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-50.2	174.5	-74	164.5	0	0	0	109.7	K186 F190 L257 H260 T261 R266 L267 F268 F287	K186-I264 HydrophobicContact CB-CG2 4.06Å; F190-I264 HydrophobicContact CB-CG2 3.71Å; F190-I264 HydrophobicContact CD1-CD1 3.95Å; F190-I264 HydrophobicContact CD2-CD1 4.36Å; F190-I264 HydrophobicContact CD2-CG1 4.14Å; F190-I264 HydrophobicContact CE1-CD1 4.17Å; F190-I264 HydrophobicContact CG-CD1 4.04Å; F190-I264 HydrophobicContact CG-CG1 4.15Å; F190-I264 HydrophobicContact CG-CG2 4.21Å; F190-I264 HydrophobicContact CZ-CD1 4.47Å; L257-I264 HydrophobicContact CB-CD1 4.24Å; L257-I264 HydrophobicContact CD1-CD1 4.22Å; L257-I264 HydrophobicContact CD2-CD1 4.35Å; H260-I264 HydrophobicContact CB-CD1 4.35Å; H260-I264 WeakPolarHBondContact O-CB 3.46Å; H260-I264 VanDerWaalsContact O-CG1 3.27Å; H260-I264 WeakPolarHBondContact O-CG1 3.31Å; H260-I264 PolarHBondContact O-N 2.78Å; T261-I264 PolarHBondContact O-N 3.07Å; I264-R266 VanDerWaalsContact C-N 3.34Å; I264-R266 PolarHBondContact O-N 3.46Å; I264-L267 PolarHBondContact O-N 2.95Å; I264-F268 HydrophobicContact CG2-CD2 4.42Å; I264-F268 VanDerWaalsContact O-CB 3.26Å; I264-F268 WeakPolarHBondContact O-CB 3.36Å; I264-F268 PolarHBondContact O-N 3.37Å; I264-F287 HydrophobicContact CD1-CZ 4.23Å; I264-F287 HydrophobicContact CG1-CE1 4.17Å; I264-F287 HydrophobicContact CG1-CZ 3.76Å
265	D	98.3	Very high	97.2	Very high	62 Å²	62	48.6 Å²	48.6	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-44	-178.9	-72.9	-17.9	0	0	0	112.5	G185 K186 T261 D263 G269	G185-D265 WeakPolarHBondContact CA-OD1 3.02Å; K186-D265 PolarHBondContact N-OD1 3.01Å; T261-D265 PolarHBondContact O-N 2.84Å; D263-D265 PolarHBondContact O-N 2.88Å; D265-G269 WeakPolarHBondContact O-CA 3.43Å; D265-G269 PolarHBondContact O-N 2.75Å
266	R	98.3	Very high	97.3	Very high	129 Å²	129	48.1 Å²	48.1	49%	0.487	28%	0.275	S	S	.	.	H	α-helix	trans	-69.9	-50.2	178.7	178.5	175.9	56.1	86.7	0.9	112.3	S262 D263 I264 G269 D283	S262-R266 WeakPolarHBondContact O-CB 3.47Å; S262-R266 PolarHBondContact O-N 3.17Å; D263-R266 PolarHBondContact O-N 3.03Å; D263-R266 IonicContact OD1-CZ 2.79Å; D263-R266 IonicContact OD1-NE 2.78Å; D263-R266 IonicContact OD1-NH2 3.98Å; D263-R266 PolarHBondContact OD1-NH2 3.23Å; I264-R266 VanDerWaalsContact C-N 3.34Å; I264-R266 PolarHBondContact O-N 3.46Å; R266-G269 PolarHBondContact O-N 3.31Å; R266-D283 IonicContact CZ-OD2 3.32Å; R266-D283 VanDerWaalsContact CZ-OD2 3.32Å; R266-D283 IonicContact NH1-OD2 2.9Å; R266-D283 PolarHBondContact NH1-OD2 3.1Å; R266-D283 IonicContact NH2-OD2 2.77Å; R266-D283 PolarHBondContact NH2-OD2 3.14Å
267	L	98.6	Very high	97.5	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-75.5	-36.1	-170.9	-61.8	169	0	0	0	111.8	D263 I264 G269 N279 L280 D283 F287 A288	D263-L267 HydrophobicContact CB-CD1 3.98Å; D263-L267 WeakPolarHBondContact O-CB 3.24Å; D263-L267 WeakPolarHBondContact O-CD1 3.26Å; D263-L267 WeakPolarHBondContact O-CG 3.1Å; D263-L267 PolarHBondContact O-N 3.14Å; I264-L267 PolarHBondContact O-N 2.95Å; L267-G269 VanDerWaalsContact C-N 3.26Å; L267-G269 PolarHBondContact O-N 3.37Å; L267-N279 HydrophobicContact CD2-CB 4.13Å; L267-N279 PolarHBondContact O-ND2 3.27Å; L267-L280 HydrophobicContact CB-CD2 3.89Å; L267-L280 HydrophobicContact CB-CG 4.44Å; L267-L280 HydrophobicContact CD1-CD2 3.91Å; L267-L280 HydrophobicContact CG-CD2 4.36Å; L267-D283 HydrophobicContact CD1-CB 4.49Å; L267-D283 HydrophobicContact CD2-CB 3.66Å; L267-F287 HydrophobicContact CD1-CD1 4.45Å; L267-F287 HydrophobicContact CD1-CE1 4.48Å; L267-A288 HydrophobicContact CD1-CB 4.33Å
268	F	98.6	Very high	97.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	11.2	174.7	-68.2	-106	0	0	0	112.7	K186 L189 F190 L193 T194 I264 S270 I276 L280	K186-F268 HydrophobicContact CB-CB 3.99Å; K186-F268 HydrophobicContact CG-CB 4.43Å; L189-F268 HydrophobicContact CD2-CB 4.37Å; L189-F268 HydrophobicContact CG-CD1 4.47Å; F190-F268 HydrophobicContact CB-CD1 4.42Å; F190-F268 HydrophobicContact CB-CE1 4.44Å; F190-F268 HydrophobicContact CD2-CD2 4.35Å; F190-F268 HydrophobicContact CD2-CE1 4.1Å; F190-F268 AromaticContact CD2-CE2 3.66Å; F190-F268 HydrophobicContact CD2-CE2 3.66Å; F190-F268 AromaticContact CD2-CZ 3.54Å; F190-F268 HydrophobicContact CD2-CZ 3.54Å; F190-F268 HydrophobicContact CE2-CE2 4.35Å; F190-F268 HydrophobicContact CE2-CZ 4.22Å; L193-F268 HydrophobicContact CD1-CD1 4.27Å; L193-F268 HydrophobicContact CD1-CE1 4.29Å; T194-F268 HydrophobicContact CG2-CE1 4.34Å; T194-F268 HydrophobicContact CG2-CZ 4.15Å; I264-F268 HydrophobicContact CG2-CD2 4.42Å; I264-F268 VanDerWaalsContact O-CB 3.26Å; I264-F268 WeakPolarHBondContact O-CB 3.36Å; I264-F268 PolarHBondContact O-N 3.37Å; F268-S270 VanDerWaalsContact C-N 3.31Å; F268-S270 PolarHBondContact O-N 2.58Å; F268-I276 HydrophobicContact CB-CD1 4.38Å; F268-I276 HydrophobicContact CD1-CD1 4.06Å; F268-I276 HydrophobicContact CD1-CG2 3.84Å; F268-I276 HydrophobicContact CE1-CG2 3.95Å; F268-I276 HydrophobicContact CG-CG2 4.15Å; F268-I276 HydrophobicContact CZ-CG2 4.35Å; F268-L280 HydrophobicContact CE2-CD2 4.16Å; F268-L280 HydrophobicContact CZ-CD1 4.33Å
269	G	97	Very high	97.8	Very high	43 Å²	43	51.2 Å²	51.2	44%	0.443	28%	0.279	S	S	.	.			trans	-81	3	-179	0	0	0	0	0	115.8	D265 R266 L267	D265-G269 WeakPolarHBondContact O-CA 3.43Å; D265-G269 PolarHBondContact O-N 2.75Å; R266-G269 PolarHBondContact O-N 3.31Å; L267-G269 VanDerWaalsContact C-N 3.26Å; L267-G269 PolarHBondContact O-N 3.37Å
270	S	97.3	Very high	98	Very high	30 Å²	30	42.7 Å²	42.7	21%	0.21	24%	0.242	C	C	.	.	S	Bend	trans	-77.9	163.2	-177.6	-161.7	0	0	0	0	113.5	F268 S272 G275	F268-S270 VanDerWaalsContact C-N 3.31Å; F268-S270 PolarHBondContact O-N 2.58Å; S270-S272 VanDerWaalsContact C-N 3.33Å; S270-G275 VanDerWaalsContact CB-C 3.47Å; S270-G275 VanDerWaalsContact OG-CA 3.28Å; S270-G275 WeakPolarHBondContact OG-CA 3.37Å
271	S	96.8	Very high	98	Very high	100 Å²	100	46.5 Å²	46.5	70%	0.699	26%	0.258	S	S	*	.	S	Bend	trans	-83.7	-3.6	178.1	57	0	0	0	0	114.2	F307	S271-F307 WeakPolarHBondContact O-CE1 3.5Å; S271-F307 VanDerWaalsContact O-CZ 3.3Å; S271-F307 WeakPolarHBondContact O-CZ 3.31Å
272	S	98.3	Very high	98.2	Very high	40 Å²	40	49.2 Å²	49.2	28%	0.28	28%	0.284	S	S	.	.	S	Bend	trans	-148.6	162.8	175.7	68.1	0	0	0	0	112.2	S270 E274 G275 I276	S270-S272 VanDerWaalsContact C-N 3.33Å; S272-E274 VanDerWaalsContact C-N 3.3Å; S272-E274 PolarHBondContact O-N 3.12Å; S272-G275 PolarHBondContact O-N 3.41Å; S272-G275 PolarHBondContact OG-N 3.25Å; S272-G275 VanDerWaalsContact OG-N 3.07Å; S272-I276 WeakPolarHBondContact O-CG1 3.33Å; S272-I276 PolarHBondContact O-N 3.43Å
273	V	98.6	Very high	98.3	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-62.9	-39.1	174.8	-178.7	0	0	0	0	111	G275 I276 L277 L303 K304 F307 L360	V273-G275 VanDerWaalsContact C-N 3.31Å; V273-G275 PolarHBondContact O-N 2.64Å; V273-I276 WeakPolarHBondContact O-CB 3.42Å; V273-I276 PolarHBondContact O-N 3.2Å; V273-L277 PolarHBondContact O-N 3.06Å; V273-L303 HydrophobicContact CG1-CB 4.07Å; V273-L303 HydrophobicContact CG1-CD1 4.29Å; V273-L303 HydrophobicContact CG2-CB 4.41Å; V273-K304 HydrophobicContact CG2-CG 4.47Å; V273-F307 HydrophobicContact CG2-CB 3.52Å; V273-F307 HydrophobicContact CG2-CD2 4.1Å; V273-F307 HydrophobicContact CG2-CG 3.81Å; V273-L360 HydrophobicContact CB-CD2 4.42Å; V273-L360 HydrophobicContact CG1-CD1 3.77Å; V273-L360 HydrophobicContact CG1-CD2 3.99Å
274	E	98.6	Very high	98.2	Very high	54 Å²	54	47.2 Å²	47.2	25%	0.252	27%	0.274	S	S	.	.	H	α-helix	trans	-59.8	-43.6	174.9	-68.1	88.9	157.1	0	0	111.3	S272 I276 L277 Q278 K304 L360	S272-E274 VanDerWaalsContact C-N 3.3Å; S272-E274 PolarHBondContact O-N 3.12Å; E274-I276 VanDerWaalsContact C-N 3.35Å; E274-L277 PolarHBondContact O-N 3.41Å; E274-Q278 VanDerWaalsContact O-CG 3.32Å; E274-Q278 WeakPolarHBondContact O-CG 3.33Å; E274-Q278 PolarHBondContact O-N 2.91Å; E274-K304 WeakPolarHBondContact OE1-CE 3.41Å; E274-K304 IonicContact OE1-NZ 3.79Å; E274-K304 PolarHBondContact OE1-NZ 3.35Å; E274-L360 HydrophobicContact CG-CB 4.25Å
275	G	98.6	Very high	98.2	Very high	3 Å²	3	49 Å²	49	3%	0.031	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-35.8	176.3	0	0	0	0	0	112.7	S270 S272 V273 Q278 N279	S270-G275 VanDerWaalsContact CB-C 3.47Å; S270-G275 VanDerWaalsContact OG-CA 3.28Å; S270-G275 WeakPolarHBondContact OG-CA 3.37Å; S272-G275 PolarHBondContact O-N 3.41Å; S272-G275 PolarHBondContact OG-N 3.25Å; S272-G275 VanDerWaalsContact OG-N 3.07Å; V273-G275 VanDerWaalsContact C-N 3.31Å; V273-G275 PolarHBondContact O-N 2.64Å; G275-Q278 PolarHBondContact O-N 3.21Å; G275-N279 VanDerWaalsContact O-CG 3.24Å; G275-N279 PolarHBondContact O-N 2.77Å; G275-N279 PolarHBondContact O-OD1 3.03Å
276	I	98.8	Very high	98.2	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.1	-46.8	171.1	-66.1	175.2	0	0	0	110.4	L189 L193 F268 S272 V273 E274 Q278 N279 L280 F307	L189-I276 HydrophobicContact CD2-CD1 4.01Å; L193-I276 HydrophobicContact CD1-CD1 4.02Å; F268-I276 HydrophobicContact CB-CD1 4.38Å; F268-I276 HydrophobicContact CD1-CD1 4.06Å; F268-I276 HydrophobicContact CD1-CG2 3.84Å; F268-I276 HydrophobicContact CE1-CG2 3.95Å; F268-I276 HydrophobicContact CG-CG2 4.15Å; F268-I276 HydrophobicContact CZ-CG2 4.35Å; S272-I276 WeakPolarHBondContact O-CG1 3.33Å; S272-I276 PolarHBondContact O-N 3.43Å; V273-I276 WeakPolarHBondContact O-CB 3.42Å; V273-I276 PolarHBondContact O-N 3.2Å; E274-I276 VanDerWaalsContact C-N 3.35Å; I276-Q278 VanDerWaalsContact C-N 3.31Å; I276-Q278 PolarHBondContact O-N 3Å; I276-N279 WeakPolarHBondContact O-CB 3.44Å; I276-N279 PolarHBondContact O-N 2.9Å; I276-L280 HydrophobicContact CG2-CD1 3.87Å; I276-L280 HydrophobicContact CG2-CG 4.37Å; I276-L280 VanDerWaalsContact O-CG 3.3Å; I276-L280 WeakPolarHBondContact O-CG 3.38Å; I276-L280 PolarHBondContact O-N 3.36Å; I276-F307 HydrophobicContact CD1-CD2 3.98Å; I276-F307 HydrophobicContact CD1-CE2 3.8Å
277	L	98.6	Very high	98.1	Very high	24 Å²	24	47.7 Å²	47.7	13%	0.126	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-36.7	177.4	-76.9	175.5	0	0	0	112.6	V273 E274 K281 V292 L295 L360	V273-L277 PolarHBondContact O-N 3.06Å; E274-L277 PolarHBondContact O-N 3.41Å; L277-K281 WeakPolarHBondContact O-CB 3.38Å; L277-K281 VanDerWaalsContact O-CG 3.22Å; L277-K281 WeakPolarHBondContact O-CG 3.21Å; L277-K281 PolarHBondContact O-N 3.12Å; L277-V292 HydrophobicContact CD2-CG2 4.48Å; L277-L295 HydrophobicContact CD2-CB 3.95Å; L277-L295 HydrophobicContact CD2-CD1 3.84Å; L277-L360 HydrophobicContact CD1-CD1 3.27Å; L277-L360 HydrophobicContact CG-CD1 4.49Å
278	Q	98.5	Very high	98.1	Very high	131 Å²	131	47.6 Å²	47.6	61%	0.612	28%	0.283	S	S	*	.	H	α-helix	trans	-62.9	-47.6	173.9	-73.3	171.2	4.7	0	0	111	E274 G275 I276 L280 K281 A282	E274-Q278 VanDerWaalsContact O-CG 3.32Å; E274-Q278 WeakPolarHBondContact O-CG 3.33Å; E274-Q278 PolarHBondContact O-N 2.91Å; G275-Q278 PolarHBondContact O-N 3.21Å; I276-Q278 VanDerWaalsContact C-N 3.31Å; I276-Q278 PolarHBondContact O-N 3Å; Q278-L280 PolarHBondContact O-N 3.2Å; Q278-K281 PolarHBondContact O-N 2.89Å; Q278-A282 WeakPolarHBondContact O-CB 3.11Å; Q278-A282 PolarHBondContact O-N 2.76Å
279	N	98.6	Very high	98.1	Very high	58 Å²	58	52.9 Å²	52.9	31%	0.31	31%	0.306	S	S	.	.	H	α-helix	trans	-57	-48.8	176.1	-71.1	-12.5	0	0	0	111.6	L267 G275 I276 K281 A282 D283	L267-N279 HydrophobicContact CD2-CB 4.13Å; L267-N279 PolarHBondContact O-ND2 3.27Å; G275-N279 VanDerWaalsContact O-CG 3.24Å; G275-N279 PolarHBondContact O-N 2.77Å; G275-N279 PolarHBondContact O-OD1 3.03Å; I276-N279 WeakPolarHBondContact O-CB 3.44Å; I276-N279 PolarHBondContact O-N 2.9Å; N279-K281 PolarHBondContact O-N 3.34Å; N279-A282 PolarHBondContact O-N 2.85Å; N279-D283 WeakPolarHBondContact O-CB 3.38Å; N279-D283 PolarHBondContact O-N 3.43Å
280	L	98.7	Very high	98.2	Very high	1 Å²	1	57 Å²	57	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-42.7	179.6	-68.9	167.2	0	0	0	112.2	L267 F268 I276 Q278 G284 A288 Q291 V292 L295	L267-L280 HydrophobicContact CB-CD2 3.89Å; L267-L280 HydrophobicContact CB-CG 4.44Å; L267-L280 HydrophobicContact CD1-CD2 3.91Å; L267-L280 HydrophobicContact CG-CD2 4.36Å; F268-L280 HydrophobicContact CE2-CD2 4.16Å; F268-L280 HydrophobicContact CZ-CD1 4.33Å; I276-L280 HydrophobicContact CG2-CD1 3.87Å; I276-L280 HydrophobicContact CG2-CG 4.37Å; I276-L280 VanDerWaalsContact O-CG 3.3Å; I276-L280 WeakPolarHBondContact O-CG 3.38Å; I276-L280 PolarHBondContact O-N 3.36Å; Q278-L280 PolarHBondContact O-N 3.2Å; L280-G284 PolarHBondContact O-N 2.76Å; L280-A288 HydrophobicContact CB-CB 4.34Å; L280-A288 HydrophobicContact CD2-CB 3.94Å; L280-A288 WeakPolarHBondContact O-CB 3.29Å; L280-Q291 HydrophobicContact CD1-CB 4.18Å; L280-Q291 HydrophobicContact CD2-CB 4.19Å; L280-V292 HydrophobicContact CB-CG2 3.55Å; L280-V292 HydrophobicContact CD1-CG2 4.35Å; L280-L295 HydrophobicContact CD1-CD1 3.73Å
281	K	98.4	Very high	98.2	Very high	141 Å²	141	55.7 Å²	55.7	61%	0.613	30%	0.302	S	S	*	.	H	α-helix	trans	-66.7	-39.3	177.9	-74.3	173.6	-178.2	179.7	0	112.2	L277 Q278 N279 V292	L277-K281 WeakPolarHBondContact O-CB 3.38Å; L277-K281 VanDerWaalsContact O-CG 3.22Å; L277-K281 WeakPolarHBondContact O-CG 3.21Å; L277-K281 PolarHBondContact O-N 3.12Å; Q278-K281 PolarHBondContact O-N 2.89Å; N279-K281 PolarHBondContact O-N 3.34Å; K281-V292 HydrophobicContact CG-CG1 4.32Å; K281-V292 HydrophobicContact CG-CG2 3.95Å
282	A	98.5	Very high	98.3	Very high	90 Å²	90	52.3 Å²	52.3	74%	0.744	28%	0.277	S	S	*	.	H	α-helix	trans	-69.8	-35	178.6	0	0	0	0	0	112.5	Q278 N279	Q278-A282 WeakPolarHBondContact O-CB 3.11Å; Q278-A282 PolarHBondContact O-N 2.76Å; N279-A282 PolarHBondContact O-N 2.85Å
283	D	98.4	Very high	98.3	Very high	50 Å²	50	54.9 Å²	54.9	27%	0.267	29%	0.285	S	S	.	.	H	α-helix	trans	-66.1	-44.8	177.1	-176	-90.7	0	0	0	112.5	R266 L267 N279 S285 A288	R266-D283 IonicContact CZ-OD2 3.32Å; R266-D283 VanDerWaalsContact CZ-OD2 3.32Å; R266-D283 IonicContact NH1-OD2 2.9Å; R266-D283 PolarHBondContact NH1-OD2 3.1Å; R266-D283 IonicContact NH2-OD2 2.77Å; R266-D283 PolarHBondContact NH2-OD2 3.14Å; L267-D283 HydrophobicContact CD1-CB 4.49Å; L267-D283 HydrophobicContact CD2-CB 3.66Å; N279-D283 WeakPolarHBondContact O-CB 3.38Å; N279-D283 PolarHBondContact O-N 3.43Å; D283-S285 PolarHBondContact O-N 2.92Å; D283-S285 WeakPolarHBondContact OD1-CB 3.21Å; D283-S285 PolarHBondContact OD1-N 3.41Å; D283-S285 PolarHBondContact OD1-OG 3.19Å; D283-A288 HydrophobicContact CB-CB 4.08Å; D283-A288 WeakPolarHBondContact OD1-CB 3.44Å
284	G	96.4	Very high	98.3	Very high	29 Å²	29	56.8 Å²	56.8	30%	0.299	29%	0.294	S	S	.	.			trans	67.6	3.2	170.8	0	0	0	0	0	116.2	L280 K289	L280-G284 PolarHBondContact O-N 2.76Å; G284-K289 WeakPolarHBondContact O-CE 3.21Å; G284-K289 PolarHBondContact O-NZ 2.79Å
285	S	98.1	Very high	98.3	Very high	40 Å²	40	54.3 Å²	54.3	28%	0.28	28%	0.283	S	S	.	.			trans	-62.4	160.1	172.3	66.4	0	0	0	0	111.8	D283 F287 A288 K289	D283-S285 PolarHBondContact O-N 2.92Å; D283-S285 WeakPolarHBondContact OD1-CB 3.21Å; D283-S285 PolarHBondContact OD1-N 3.41Å; D283-S285 PolarHBondContact OD1-OG 3.19Å; S285-F287 PolarHBondContact O-N 2.96Å; S285-A288 PolarHBondContact O-N 3.25Å; S285-A288 VanDerWaalsContact O-N 3.13Å; S285-A288 WeakPolarHBondContact OG-CB 3.4Å; S285-A288 PolarHBondContact OG-N 3.23Å; S285-A288 VanDerWaalsContact OG-N 3.14Å; S285-K289 WeakPolarHBondContact O-CB 3.21Å; S285-K289 WeakPolarHBondContact O-CG 3.38Å; S285-K289 PolarHBondContact O-N 2.93Å
286	E	97.8	Very high	98.3	Very high	140 Å²	140	58.2 Å²	58.2	65%	0.654	31%	0.31	S	S	*	.	H	α-helix	trans	-61.7	-33.7	177.4	-66.4	-54.4	118.4	0	0	112.4	K289 K290	E286-K289 IonicContact OE1-NZ 3.88Å; E286-K289 PolarHBondContact OE1-NZ 2.82Å; E286-K290 WeakPolarHBondContact O-CB 3.25Å; E286-K290 PolarHBondContact O-N 3.43Å
287	F	97.4	Very high	98.2	Very high	23 Å²	23	65.8 Å²	65.8	10%	0.101	34%	0.339	C	S	.	.	H	α-helix	trans	-61	-55.4	170.4	174.6	-103.7	0	0	0	110.4	F190 H260 D263 I264 L267 S285 K289 K290 Q291	F190-F287 HydrophobicContact CE2-CE2 4.42Å; F190-F287 AromaticContact CE2-CZ 3.96Å; F190-F287 HydrophobicContact CE2-CZ 3.96Å; F190-F287 HydrophobicContact CZ-CE2 4.42Å; F190-F287 HydrophobicContact CZ-CZ 4.33Å; H260-F287 HydrophobicContact CB-CD2 4.27Å; H260-F287 HydrophobicContact CB-CE1 4.36Å; H260-F287 HydrophobicContact CB-CE2 4.02Å; H260-F287 HydrophobicContact CB-CZ 4.08Å; H260-F287 AromaticContact CD2-CD2 3.76Å; H260-F287 AromaticContact CE1-CD2 3.99Å; H260-F287 AromaticContact CE1-CG 3.97Å; H260-F287 AromaticContact CG-CD2 3.7Å; H260-F287 AromaticContact CG-CE2 3.93Å; H260-F287 AromaticContact CG-CG 3.99Å; H260-F287 AromaticContact ND1-CD2 3.86Å; H260-F287 AromaticContact ND1-CG 3.71Å; H260-F287 AromaticContact NE2-CD2 3.96Å; D263-F287 HydrophobicContact CB-CD1 4.45Å; D263-F287 HydrophobicContact CB-CE1 4.43Å; I264-F287 HydrophobicContact CD1-CZ 4.23Å; I264-F287 HydrophobicContact CG1-CE1 4.17Å; I264-F287 HydrophobicContact CG1-CZ 3.76Å; L267-F287 HydrophobicContact CD1-CD1 4.45Å; L267-F287 HydrophobicContact CD1-CE1 4.48Å; S285-F287 PolarHBondContact O-N 2.96Å; F287-K289 PolarHBondContact O-N 3.2Å; F287-K290 WeakPolarHBondContact O-CB 3.42Å; F287-K290 PolarHBondContact O-N 2.64Å; F287-Q291 HydrophobicContact CD1-CG 4.49Å; F287-Q291 HydrophobicContact CD2-CG 4.44Å; F287-Q291 HydrophobicContact CE1-CG 4.12Å; F287-Q291 HydrophobicContact CE2-CG 4.07Å; F287-Q291 HydrophobicContact CZ-CG 3.89Å; F287-Q291 WeakPolarHBondContact O-CG 3.47Å; F287-Q291 PolarHBondContact O-N 3.42Å; F287-Q291 VanDerWaalsContact O-N 3.09Å
288	A	98.4	Very high	98.2	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-44.9	-176.3	0	0	0	0	0	112.7	L267 L280 D283 S285 K290 Q291 V292	L267-A288 HydrophobicContact CD1-CB 4.33Å; L280-A288 HydrophobicContact CB-CB 4.34Å; L280-A288 HydrophobicContact CD2-CB 3.94Å; L280-A288 WeakPolarHBondContact O-CB 3.29Å; D283-A288 HydrophobicContact CB-CB 4.08Å; D283-A288 WeakPolarHBondContact OD1-CB 3.44Å; S285-A288 PolarHBondContact O-N 3.25Å; S285-A288 VanDerWaalsContact O-N 3.13Å; S285-A288 WeakPolarHBondContact OG-CB 3.4Å; S285-A288 PolarHBondContact OG-N 3.23Å; S285-A288 VanDerWaalsContact OG-N 3.14Å; A288-K290 VanDerWaalsContact C-N 3.32Å; A288-K290 PolarHBondContact O-N 3.02Å; A288-Q291 PolarHBondContact O-N 3.02Å; A288-V292 WeakPolarHBondContact O-CG2 3.48Å; A288-V292 PolarHBondContact O-N 3.33Å
289	K	98.6	Very high	98.2	Very high	111 Å²	111	59.4 Å²	59.4	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-55.4	-45.7	175.1	-74.8	168.8	177	148.9	0	112.1	G284 S285 E286 F287 Q291 V292 E293	G284-K289 WeakPolarHBondContact O-CE 3.21Å; G284-K289 PolarHBondContact O-NZ 2.79Å; S285-K289 WeakPolarHBondContact O-CB 3.21Å; S285-K289 WeakPolarHBondContact O-CG 3.38Å; S285-K289 PolarHBondContact O-N 2.93Å; E286-K289 IonicContact OE1-NZ 3.88Å; E286-K289 PolarHBondContact OE1-NZ 2.82Å; F287-K289 PolarHBondContact O-N 3.2Å; K289-Q291 VanDerWaalsContact C-N 3.26Å; K289-Q291 PolarHBondContact O-N 3.28Å; K289-V292 PolarHBondContact O-N 2.9Å; K289-E293 PolarHBondContact O-N 3.23Å
290	K	98.4	Very high	98.3	Very high	129 Å²	129	57 Å²	57	56%	0.561	30%	0.296	S	S	*	.	H	α-helix	trans	-61.7	-36.5	176.7	-170.2	176	-176.5	176.1	0	111.4	E286 F287 A288 E293 I294	E286-K290 WeakPolarHBondContact O-CB 3.25Å; E286-K290 PolarHBondContact O-N 3.43Å; F287-K290 WeakPolarHBondContact O-CB 3.42Å; F287-K290 PolarHBondContact O-N 2.64Å; A288-K290 VanDerWaalsContact C-N 3.32Å; A288-K290 PolarHBondContact O-N 3.02Å; K290-E293 PolarHBondContact O-N 3.34Å; K290-I294 HydrophobicContact CG-CD1 4.41Å; K290-I294 VanDerWaalsContact O-CG1 3.29Å; K290-I294 WeakPolarHBondContact O-CG1 3.42Å; K290-I294 PolarHBondContact O-N 3.3Å; K290-I294 VanDerWaalsContact O-N 3.09Å
291	Q	98.6	Very high	98.3	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.019	30%	0.3	C	S	.	.	H	α-helix	trans	-74.9	-33.7	179.3	-50.1	-43.1	-133.4	0	0	111.7	F190 L280 F287 A288 K289 I294 L295	F190-Q291 HydrophobicContact CE2-CG 4.18Å; L280-Q291 HydrophobicContact CD1-CB 4.18Å; L280-Q291 HydrophobicContact CD2-CB 4.19Å; F287-Q291 HydrophobicContact CD1-CG 4.49Å; F287-Q291 HydrophobicContact CD2-CG 4.44Å; F287-Q291 HydrophobicContact CE1-CG 4.12Å; F287-Q291 HydrophobicContact CE2-CG 4.07Å; F287-Q291 HydrophobicContact CZ-CG 3.89Å; F287-Q291 WeakPolarHBondContact O-CG 3.47Å; F287-Q291 PolarHBondContact O-N 3.42Å; F287-Q291 VanDerWaalsContact O-N 3.09Å; A288-Q291 PolarHBondContact O-N 3.02Å; K289-Q291 VanDerWaalsContact C-N 3.26Å; K289-Q291 PolarHBondContact O-N 3.28Å; Q291-I294 PolarHBondContact O-N 3.16Å; Q291-L295 WeakPolarHBondContact O-CB 3.05Å; Q291-L295 VanDerWaalsContact O-CG 3.24Å; Q291-L295 WeakPolarHBondContact O-CG 3.29Å; Q291-L295 PolarHBondContact O-N 2.73Å
292	V	98.7	Very high	98.3	Very high	29 Å²	29	51.1 Å²	51.1	18%	0.176	27%	0.272	C	S	.	.	H	α-helix	trans	-59.5	-46.3	169.2	175.5	0	0	0	0	111	L277 L280 K281 A288 K289 I294 L295 S296	L277-V292 HydrophobicContact CD2-CG2 4.48Å; L280-V292 HydrophobicContact CB-CG2 3.55Å; L280-V292 HydrophobicContact CD1-CG2 4.35Å; K281-V292 HydrophobicContact CG-CG1 4.32Å; K281-V292 HydrophobicContact CG-CG2 3.95Å; A288-V292 WeakPolarHBondContact O-CG2 3.48Å; A288-V292 PolarHBondContact O-N 3.33Å; K289-V292 PolarHBondContact O-N 2.9Å; V292-I294 PolarHBondContact O-N 3.38Å; V292-L295 PolarHBondContact O-N 2.86Å; V292-S296 WeakPolarHBondContact O-CB 3.47Å; V292-S296 PolarHBondContact O-N 3.17Å; V292-S296 PolarHBondContact O-OG 3.19Å
293	E	98.4	Very high	98.3	Very high	93 Å²	93	47 Å²	47	44%	0.435	24%	0.237	S	C	.	.	H	α-helix	trans	-58.5	-48.3	177.5	-173.7	-170.7	168.1	0	0	111.2	K289 K290 S296 R297	K289-E293 PolarHBondContact O-N 3.23Å; K290-E293 PolarHBondContact O-N 3.34Å; E293-S296 PolarHBondContact O-N 2.92Å; E293-S296 PolarHBondContact O-OG 3.35Å; E293-R297 IonicContact OE1-CZ 3.63Å; E293-R297 VanDerWaalsContact OE1-CZ 3.32Å; E293-R297 IonicContact OE1-NH1 2.83Å; E293-R297 IonicContact OE1-NH2 3.68Å; E293-R297 PolarHBondContact OE1-NH2 3.12Å
294	I	98.5	Very high	98.3	Very high	42 Å²	42	45.6 Å²	45.6	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-53	178.6	-71	175.7	0	0	0	110.8	T194 K290 Q291 V292 S296 R297 M298	T194-I294 WeakPolarHBondContact O-CG2 3.45Å; K290-I294 HydrophobicContact CG-CD1 4.41Å; K290-I294 VanDerWaalsContact O-CG1 3.29Å; K290-I294 WeakPolarHBondContact O-CG1 3.42Å; K290-I294 PolarHBondContact O-N 3.3Å; K290-I294 VanDerWaalsContact O-N 3.09Å; Q291-I294 PolarHBondContact O-N 3.16Å; V292-I294 PolarHBondContact O-N 3.38Å; I294-S296 VanDerWaalsContact C-N 3.25Å; I294-S296 PolarHBondContact O-N 3.48Å; I294-R297 PolarHBondContact O-N 2.95Å; I294-R297 VanDerWaalsContact O-N 3.1Å; I294-M298 HydrophobicContact CG2-CE 3.37Å
295	L	98.6	Very high	98.4	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-63.1	-32	-177.4	-68.2	174.5	0	0	0	112.3	L193 T194 L277 L280 Q291 V292 R297 M298 L303	L193-L295 HydrophobicContact CB-CD2 3.82Å; T194-L295 HydrophobicContact CG2-CD2 3.98Å; T194-L295 HydrophobicContact CG2-CG 4.36Å; L277-L295 HydrophobicContact CD2-CB 3.95Å; L277-L295 HydrophobicContact CD2-CD1 3.84Å; L280-L295 HydrophobicContact CD1-CD1 3.73Å; Q291-L295 WeakPolarHBondContact O-CB 3.05Å; Q291-L295 VanDerWaalsContact O-CG 3.24Å; Q291-L295 WeakPolarHBondContact O-CG 3.29Å; Q291-L295 PolarHBondContact O-N 2.73Å; V292-L295 PolarHBondContact O-N 2.86Å; L295-R297 PolarHBondContact O-N 3Å; L295-M298 PolarHBondContact O-N 3.04Å; L295-L303 HydrophobicContact CD2-CD2 3.75Å
296	S	97.6	Very high	98.5	Very high	85 Å²	85	42.5 Å²	42.5	59%	0.594	20%	0.202	S	C	*	.	H	α-helix	trans	-66.1	-16.6	177.3	73.8	0	0	0	0	114.6	V292 E293 I294	V292-S296 WeakPolarHBondContact O-CB 3.47Å; V292-S296 PolarHBondContact O-N 3.17Å; V292-S296 PolarHBondContact O-OG 3.19Å; E293-S296 PolarHBondContact O-N 2.92Å; E293-S296 PolarHBondContact O-OG 3.35Å; I294-S296 VanDerWaalsContact C-N 3.25Å; I294-S296 PolarHBondContact O-N 3.48Å
297	R	97.8	Very high	98.5	Very high	159 Å²	159	36.5 Å²	36.5	60%	0.6	17%	0.174	S	C	*	.	H	α-helix	trans	-95.9	-12.6	177.9	-64.9	-178.1	179.7	160.3	8.8	113.4	E293 I294 L295 W355	E293-R297 IonicContact OE1-CZ 3.63Å; E293-R297 VanDerWaalsContact OE1-CZ 3.32Å; E293-R297 IonicContact OE1-NH1 2.83Å; E293-R297 IonicContact OE1-NH2 3.68Å; E293-R297 PolarHBondContact OE1-NH2 3.12Å; I294-R297 PolarHBondContact O-N 2.95Å; I294-R297 VanDerWaalsContact O-N 3.1Å; L295-R297 PolarHBondContact O-N 3Å; R297-W355 PolarHBondContact O-NE1 3.24Å
298	M	98.6	Very high	98.6	Very high	21 Å²	21	38.9 Å²	38.9	10%	0.103	18%	0.182	C	C	.	.	S	Bend	trans	-79.1	159.2	-179.3	-54.6	-53	173.4	0	0	111.2	A167 T194 I294 L295 P300 L303 W355	A167-M298 VanDerWaalsContact CA-SD 3.58Å; A167-M298 HydrophobicContact CB-CE 4.42Å; A167-M298 HydrophobicContact CB-SD 3.62Å; T194-M298 WeakPolarHBondContact O-CE 3.37Å; I294-M298 HydrophobicContact CG2-CE 3.37Å; L295-M298 PolarHBondContact O-N 3.04Å; M298-P300 WeakPolarHBondContact O-CD 3.36Å; M298-L303 HydrophobicContact CB-CD1 4.02Å; M298-L303 HydrophobicContact CB-CD2 3.88Å; M298-L303 HydrophobicContact CB-CG 3.86Å; M298-L303 HydrophobicContact CG-CD2 4.23Å; M298-W355 PolarHBondContact O-NE1 3.47Å
299	S	98.8	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.182	C	C	.	.			trans	-62	125.2	172.4	159	0	0	0	0	109.8	T166 T301 S302 L303 D337	T166-S299 PolarHBondContact O-N 3.26Å; S299-T301 VanDerWaalsContact C-N 3.26Å; S299-T301 PolarHBondContact O-N 3.04Å; S299-T301 PolarHBondContact OG-N 3.08Å; S299-S302 WeakPolarHBondContact CB-OG 3.47Å; S299-S302 WeakPolarHBondContact O-CB 3.22Å; S299-S302 PolarHBondContact O-N 2.91Å; S299-S302 PolarHBondContact OG-N 2.99Å; S299-S302 VanDerWaalsContact OG-N 3.12Å; S299-S302 PolarHBondContact OG-OG 3.35Å; S299-L303 WeakPolarHBondContact O-CG 3.45Å; S299-L303 PolarHBondContact O-N 3.34Å; S299-D337 WeakPolarHBondContact CB-OD2 3.49Å; S299-D337 PolarHBondContact OG-OD2 3.17Å
300	P	98.8	Very high	98.6	Very high	7 Å²	7	34 Å²	34	5%	0.045	16%	0.161	C	C	.	.	H	α-helix	trans	-59	-38.7	176.3	-26.5	36.6	0	0	0	112.7	M298 L303 K304 P357 L360 V363	M298-P300 WeakPolarHBondContact O-CD 3.36Å; P300-L303 PolarHBondContact O-N 3.44Å; P300-K304 PolarHBondContact O-N 2.93Å; P300-P357 WeakPolarHBondContact CG-O 3.47Å; P300-L360 HydrophobicContact CB-CD2 3.96Å; P300-L360 HydrophobicContact CB-CG 4.21Å; P300-V363 HydrophobicContact CB-CG2 3.78Å
301	T	98.8	Very high	98.6	Very high	16 Å²	16	33 Å²	33	10%	0.098	16%	0.159	C	C	.	.	H	α-helix	trans	-59.7	-52.2	174.2	-66.1	0	0	0	0	110.7	S299 L303 K304 V305 F367	S299-T301 VanDerWaalsContact C-N 3.26Å; S299-T301 PolarHBondContact O-N 3.04Å; S299-T301 PolarHBondContact OG-N 3.08Å; T301-L303 VanDerWaalsContact C-N 3.33Å; T301-L303 PolarHBondContact O-N 3.16Å; T301-K304 PolarHBondContact O-N 3.41Å; T301-V305 HydrophobicContact CG2-CG2 4.27Å; T301-V305 WeakPolarHBondContact O-CB 3.41Å; T301-V305 WeakPolarHBondContact O-CG2 3.43Å; T301-V305 PolarHBondContact O-N 2.94Å; T301-F367 HydrophobicContact CG2-CE1 3.66Å; T301-F367 HydrophobicContact CG2-CZ 4.35Å
302	S	98.9	Very high	98.6	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	17%	0.171	C	C	.	.	H	α-helix	trans	-57	-45.5	179.2	-72	0	0	0	0	112.1	G169 L170 S299 K304 V305 T306	G169-S302 VanDerWaalsContact CA-OG 3.31Å; G169-S302 WeakPolarHBondContact CA-OG 3.5Å; L170-S302 PolarHBondContact N-OG 3.47Å; L170-S302 WeakPolarHBondContact O-CB 3.42Å; L170-S302 PolarHBondContact O-OG 3.39Å; S299-S302 WeakPolarHBondContact CB-OG 3.47Å; S299-S302 WeakPolarHBondContact O-CB 3.22Å; S299-S302 PolarHBondContact O-N 2.91Å; S299-S302 PolarHBondContact OG-N 2.99Å; S299-S302 VanDerWaalsContact OG-N 3.12Å; S299-S302 PolarHBondContact OG-OG 3.35Å; S302-K304 PolarHBondContact O-N 2.82Å; S302-V305 PolarHBondContact O-N 3.24Å; S302-T306 VanDerWaalsContact O-CB 3.26Å; S302-T306 WeakPolarHBondContact O-CB 3.26Å; S302-T306 PolarHBondContact O-N 3.39Å; S302-T306 PolarHBondContact O-OG1 3.22Å
303	L	98.9	Very high	98.6	Very high	3 Å²	3	33 Å²	33	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-46.7	178.7	-71.1	175.6	0	0	0	112.1	T166 L193 V273 L295 M298 S299 P300 T301 F307 L360	T166-L303 HydrophobicContact CG2-CD2 4.42Å; L193-L303 HydrophobicContact CB-CD2 4.08Å; L193-L303 HydrophobicContact CD2-CB 4.5Å; L193-L303 HydrophobicContact CD2-CD2 3.87Å; L193-L303 WeakPolarHBondContact CD2-O 3.45Å; V273-L303 HydrophobicContact CG1-CB 4.07Å; V273-L303 HydrophobicContact CG1-CD1 4.29Å; V273-L303 HydrophobicContact CG2-CB 4.41Å; L295-L303 HydrophobicContact CD2-CD2 3.75Å; M298-L303 HydrophobicContact CB-CD1 4.02Å; M298-L303 HydrophobicContact CB-CD2 3.88Å; M298-L303 HydrophobicContact CB-CG 3.86Å; M298-L303 HydrophobicContact CG-CD2 4.23Å; S299-L303 WeakPolarHBondContact O-CG 3.45Å; S299-L303 PolarHBondContact O-N 3.34Å; P300-L303 PolarHBondContact O-N 3.44Å; T301-L303 VanDerWaalsContact C-N 3.33Å; T301-L303 PolarHBondContact O-N 3.16Å; L303-F307 VanDerWaalsContact O-CB 3.31Å; L303-F307 WeakPolarHBondContact O-CB 3.5Å; L303-F307 PolarHBondContact O-N 2.97Å; L303-L360 HydrophobicContact CB-CD2 4.18Å; L303-L360 HydrophobicContact CD1-CD2 4.22Å
304	K	98.9	Very high	98.6	Very high	21 Å²	21	31 Å²	31	9%	0.091	16%	0.162	C	C	.	.	H	α-helix	trans	-68.3	-42.2	179.3	-68.9	-153.7	-179.5	-175	0	112.6	V273 E274 P300 T301 S302 F307 R308 L360 V363 V368	V273-K304 HydrophobicContact CG2-CG 4.47Å; E274-K304 WeakPolarHBondContact OE1-CE 3.41Å; E274-K304 IonicContact OE1-NZ 3.79Å; E274-K304 PolarHBondContact OE1-NZ 3.35Å; P300-K304 PolarHBondContact O-N 2.93Å; T301-K304 PolarHBondContact O-N 3.41Å; S302-K304 PolarHBondContact O-N 2.82Å; K304-F307 PolarHBondContact O-N 2.95Å; K304-R308 PolarHBondContact O-N 3.49Å; K304-R308 VanDerWaalsContact O-N 3.08Å; K304-L360 WeakPolarHBondContact CE-O 3.22Å; K304-L360 HydrophobicContact CG-CD2 3.94Å; K304-L360 PolarHBondContact NZ-O 3.49Å; K304-V363 HydrophobicContact CB-CG1 4.39Å; K304-V363 HydrophobicContact CD-CB 3.82Å; K304-V363 HydrophobicContact CD-CG1 3.78Å; K304-V363 HydrophobicContact CG-CB 4.49Å; K304-V363 HydrophobicContact CG-CG1 4.34Å; K304-V363 PolarHBondContact NZ-O 3.32Å; K304-V368 HydrophobicContact CB-CG2 3.89Å; K304-V368 HydrophobicContact CD-CG2 4.19Å
305	V	98.9	Very high	98.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-49.3	176.7	168.4	0	0	0	0	110.5	F171 T301 S302 F307 R308 Q309 L328 V368 C371 F372	F171-V305 HydrophobicContact CB-CG1 4.12Å; F171-V305 HydrophobicContact CD1-CG1 4.11Å; F171-V305 HydrophobicContact CG-CG1 4.13Å; T301-V305 HydrophobicContact CG2-CG2 4.27Å; T301-V305 WeakPolarHBondContact O-CB 3.41Å; T301-V305 WeakPolarHBondContact O-CG2 3.43Å; T301-V305 PolarHBondContact O-N 2.94Å; S302-V305 PolarHBondContact O-N 3.24Å; V305-F307 PolarHBondContact O-N 2.89Å; V305-R308 PolarHBondContact O-N 3.41Å; V305-Q309 WeakPolarHBondContact O-CB 3.43Å; V305-Q309 PolarHBondContact O-N 3.33Å; V305-L328 HydrophobicContact CG1-CD1 3.91Å; V305-L328 HydrophobicContact CG1-CD2 3.9Å; V305-L328 HydrophobicContact CG1-CG 4.32Å; V305-V368 HydrophobicContact CG2-CG1 4.44Å; V305-C371 HydrophobicContact CG2-CB 4.46Å; V305-F372 HydrophobicContact CG1-CE2 4.31Å
306	T	98.9	Very high	98.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-45.2	177.2	-64.2	0	0	0	0	112	T166 F171 P172 A192 L193 S302 R308 Q309 L310	T166-T306 HydrophobicContact CG2-CG2 4.46Å; F171-T306 WeakPolarHBondContact CB-OG1 3.32Å; P172-T306 WeakPolarHBondContact CD-OG1 3.48Å; P172-T306 HydrophobicContact CG-CG2 3.99Å; A192-T306 HydrophobicContact CB-CG2 3.67Å; L193-T306 HydrophobicContact CD2-CG2 3.77Å; S302-T306 VanDerWaalsContact O-CB 3.26Å; S302-T306 WeakPolarHBondContact O-CB 3.26Å; S302-T306 PolarHBondContact O-N 3.39Å; S302-T306 PolarHBondContact O-OG1 3.22Å; T306-R308 PolarHBondContact O-N 2.95Å; T306-Q309 PolarHBondContact O-N 3.14Å; T306-L310 HydrophobicContact CG2-CD1 4.11Å; T306-L310 WeakPolarHBondContact O-CD1 3.26Å; T306-L310 PolarHBondContact O-N 3.44Å
307	F	98.9	Very high	98.6	Very high	14 Å²	14	35 Å²	35	6%	0.061	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-49.6	178.5	179.3	-91	0	0	0	111.5	L189 L193 S271 V273 I276 L303 K304 V305 L310 Q311	L189-F307 HydrophobicContact CD1-CD2 3.99Å; L189-F307 HydrophobicContact CD2-CD2 4.09Å; L189-F307 HydrophobicContact CD2-CE2 3.99Å; L193-F307 HydrophobicContact CD2-CB 4.45Å; S271-F307 WeakPolarHBondContact O-CE1 3.5Å; S271-F307 VanDerWaalsContact O-CZ 3.3Å; S271-F307 WeakPolarHBondContact O-CZ 3.31Å; V273-F307 HydrophobicContact CG2-CB 3.52Å; V273-F307 HydrophobicContact CG2-CD2 4.1Å; V273-F307 HydrophobicContact CG2-CG 3.81Å; I276-F307 HydrophobicContact CD1-CD2 3.98Å; I276-F307 HydrophobicContact CD1-CE2 3.8Å; L303-F307 VanDerWaalsContact O-CB 3.31Å; L303-F307 WeakPolarHBondContact O-CB 3.5Å; L303-F307 PolarHBondContact O-N 2.97Å; K304-F307 PolarHBondContact O-N 2.95Å; V305-F307 PolarHBondContact O-N 2.89Å; F307-L310 PolarHBondContact O-N 3.09Å; F307-Q311 HydrophobicContact CE1-CG 4.23Å; F307-Q311 VanDerWaalsContact CE1-OE1 3.3Å; F307-Q311 HydrophobicContact CZ-CG 4.46Å; F307-Q311 WeakPolarHBondContact O-CG 3.39Å; F307-Q311 PolarHBondContact O-N 3.45Å
308	R	98.8	Very high	98.6	Very high	74 Å²	74	28.4 Å²	28.4	28%	0.279	17%	0.17	S	C	.	.	H	α-helix	trans	-66.6	-39.8	177.9	-179.6	178.2	174.5	161.4	4.2	112.9	K304 V305 T306 L310 Q311 A312 V368 D369 F372	K304-R308 PolarHBondContact O-N 3.49Å; K304-R308 VanDerWaalsContact O-N 3.08Å; V305-R308 PolarHBondContact O-N 3.41Å; T306-R308 PolarHBondContact O-N 2.95Å; R308-L310 VanDerWaalsContact C-N 3.33Å; R308-L310 PolarHBondContact O-N 3.17Å; R308-Q311 PolarHBondContact O-N 3.05Å; R308-A312 PolarHBondContact O-N 3.3Å; R308-V368 HydrophobicContact CB-CG1 4.41Å; R308-D369 IonicContact CZ-OD1 3.85Å; R308-D369 IonicContact NH1-OD1 3.97Å; R308-D369 PolarHBondContact NH1-OD1 2.97Å; R308-D369 IonicContact NH2-OD1 2.67Å; R308-D369 PolarHBondContact NH2-OD1 3.36Å; R308-F372 HydrophobicContact CB-CE2 4.16Å; R308-F372 HydrophobicContact CB-CZ 3.8Å; R308-F372 VanDerWaalsContact CD-CE2 3.49Å; R308-F372 HydrophobicContact CG-CE1 3.97Å; R308-F372 HydrophobicContact CG-CE2 3.96Å; R308-F372 HydrophobicContact CG-CZ 3.59Å
309	Q	98.9	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-57	-47.5	177.5	178.7	-158.2	0.3	0	0	110.6	F171 P172 V305 T306 A312 G313 M324 E325 L328 F372	F171-Q309 VanDerWaalsContact CD2-OE1 3.28Å; P172-Q309 PolarHBondContact O-NE2 3.21Å; V305-Q309 WeakPolarHBondContact O-CB 3.43Å; V305-Q309 PolarHBondContact O-N 3.33Å; T306-Q309 PolarHBondContact O-N 3.14Å; Q309-A312 PolarHBondContact O-N 3.33Å; Q309-G313 PolarHBondContact O-N 3.46Å; Q309-M324 HydrophobicContact CB-CE 4.45Å; Q309-M324 HydrophobicContact CG-CE 3.63Å; Q309-E325 PolarHBondContact NE2-OE1 3.1Å; Q309-L328 HydrophobicContact CB-CD1 4.06Å; Q309-L328 HydrophobicContact CG-CD1 3.93Å; Q309-F372 HydrophobicContact CB-CE1 4.49Å; Q309-F372 HydrophobicContact CB-CZ 4.19Å
310	L	98.8	Very high	98.6	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.037	21%	0.206	C	C	.	.	H	α-helix	trans	-68.3	-35.4	179.4	-93	65.7	0	0	0	112.4	L180 L189 A192 T306 F307 R308 A314	L180-L310 HydrophobicContact CB-CD2 3.97Å; L180-L310 HydrophobicContact CB-CG 4.27Å; L180-L310 HydrophobicContact CD1-CD1 4.42Å; L189-L310 HydrophobicContact CB-CD2 4.18Å; L189-L310 HydrophobicContact CD1-CB 4.46Å; L189-L310 HydrophobicContact CD1-CD2 3.88Å; A192-L310 HydrophobicContact CB-CD1 4.26Å; A192-L310 HydrophobicContact CB-CD2 3.62Å; T306-L310 HydrophobicContact CG2-CD1 4.11Å; T306-L310 WeakPolarHBondContact O-CD1 3.26Å; T306-L310 PolarHBondContact O-N 3.44Å; F307-L310 PolarHBondContact O-N 3.09Å; R308-L310 VanDerWaalsContact C-N 3.33Å; R308-L310 PolarHBondContact O-N 3.17Å; L310-A314 PolarHBondContact O-N 3.47Å
311	Q	98.3	Very high	98.6	Very high	108 Å²	108	35.1 Å²	35.1	51%	0.505	20%	0.203	S	C	.	.	H	α-helix	trans	-62.9	-47.7	173.9	-74	-178.8	-37	0	0	111.8	F307 R308	F307-Q311 HydrophobicContact CE1-CG 4.23Å; F307-Q311 VanDerWaalsContact CE1-OE1 3.3Å; F307-Q311 HydrophobicContact CZ-CG 4.46Å; F307-Q311 WeakPolarHBondContact O-CG 3.39Å; F307-Q311 PolarHBondContact O-N 3.45Å; R308-Q311 PolarHBondContact O-N 3.05Å
312	A	98.2	Very high	98.6	Very high	35 Å²	35	34.4 Å²	34.4	29%	0.289	20%	0.199	S	C	.	.	H	α-helix	trans	-68.8	-46.5	179.1	0	0	0	0	0	111.9	R308 Q309 A314 A315 M316 M324	R308-A312 PolarHBondContact O-N 3.3Å; Q309-A312 PolarHBondContact O-N 3.33Å; A312-A314 PolarHBondContact O-N 3.02Å; A312-A315 PolarHBondContact O-N 3.08Å; A312-M316 HydrophobicContact CB-CE 4.44Å; A312-M324 HydrophobicContact CB-SD 3.96Å
313	G	98.7	Very high	98.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68	-18.8	-174.6	0	0	0	0	0	114.8	G177 R182 Q309 A315 M316	G177-G313 CarbonylContact O-C 3.54Å; G177-G313 VanDerWaalsContact O-C 3.24Å; G177-G313 WeakPolarHBondContact O-CA 3.2Å; R182-G313 PolarHBondContact NH1-O 3.45Å; Q309-G313 PolarHBondContact O-N 3.46Å; G313-A315 PolarHBondContact O-N 3.43Å; G313-M316 PolarHBondContact O-N 2.83Å
314	A	98	Very high	98.6	Very high	49 Å²	49	35.4 Å²	35.4	41%	0.405	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.9	173.6	0	0	0	0	0	113.1	P181 R182 L310 A312	P181-A314 HydrophobicContact CB-CB 3.84Å; P181-A314 HydrophobicContact CG-CB 4.22Å; R182-A314 PolarHBondContact NH2-O 3Å; L310-A314 PolarHBondContact O-N 3.47Å; A312-A314 PolarHBondContact O-N 3.02Å
315	A	97.5	Very high	98.6	Very high	100 Å²	100	34.4 Å²	34.4	83%	0.826	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-1.5	-178.2	0	0	0	0	0	114.2	A312 G313	A312-A315 PolarHBondContact O-N 3.08Å; G313-A315 PolarHBondContact O-N 3.43Å
316	M	98.6	Very high	98.6	Very high	66 Å²	66	34.3 Å²	34.3	33%	0.325	20%	0.2	S	C	.	.	S	Bend	trans	-95.9	157.1	-174.8	-73.5	177.7	165.7	0	0	112.7	R182 A312 G313 D320 V321 M324	R182-M316 PolarHBondContact NH2-O 3.45Å; A312-M316 HydrophobicContact CB-CE 4.44Å; G313-M316 PolarHBondContact O-N 2.83Å; M316-D320 HydrophobicContact CB-CB 4.12Å; M316-D320 HydrophobicContact CG-CB 4.32Å; M316-D320 HydrophobicContact SD-CB 4.44Å; M316-V321 HydrophobicContact CB-CG2 3.64Å; M316-V321 HydrophobicContact SD-CG2 4.38Å; M316-M324 HydrophobicContact SD-CE 4.34Å; M316-M324 HydrophobicContact SD-SD 4.17Å
317	S	98.7	Very high	98.6	Very high	50 Å²	50	37.2 Å²	37.2	35%	0.35	21%	0.21	S	C	.	.			trans	-68.5	160.9	164.4	74.9	0	0	0	0	110.7	Q319 D320 V321	S317-Q319 PolarHBondContact O-N 3.34Å; S317-D320 PolarHBondContact O-N 3.18Å; S317-D320 PolarHBondContact OG-N 3.04Å; S317-D320 VanDerWaalsContact OG-N 3.09Å; S317-D320 PolarHBondContact OG-OD2 3.37Å; S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.07Å
318	L	98.8	Very high	98.6	Very high	20 Å²	20	36.6 Å²	36.6	11%	0.105	21%	0.208	C	C	.	.	H	α-helix	trans	-58.3	-40.7	174.3	176.1	61.3	0	0	0	111.1	H149 Y178 V321 L322	H149-L318 HydrophobicContact CB-CD2 4.33Å; Y178-L318 HydrophobicContact CD1-CB 4.18Å; Y178-L318 HydrophobicContact CD1-CD1 4.03Å; Y178-L318 HydrophobicContact CD2-CB 4.06Å; Y178-L318 HydrophobicContact CE1-CB 4.32Å; Y178-L318 HydrophobicContact CE2-CB 4.2Å; Y178-L318 HydrophobicContact CG-CB 4.05Å; Y178-L318 HydrophobicContact CG-CD1 3.96Å; L318-V321 PolarHBondContact O-N 3.14Å; L318-L322 HydrophobicContact CD1-CD1 3.98Å; L318-L322 HydrophobicContact CD1-CG 4.09Å; L318-L322 HydrophobicContact CG-CD1 3.88Å; L318-L322 HydrophobicContact CG-CG 4.43Å; L318-L322 VanDerWaalsContact O-CG 3.28Å; L318-L322 WeakPolarHBondContact O-CG 3.25Å; L318-L322 PolarHBondContact O-N 3.19Å
319	Q	98.6	Very high	98.6	Very high	86 Å²	86	33 Å²	33	40%	0.402	19%	0.194	S	C	.	.	H	α-helix	trans	-58.2	-50.6	177.8	-168.3	-176.8	-18.5	0	0	111.5	S317 V321 L322 V323 F382	S317-Q319 PolarHBondContact O-N 3.34Å; Q319-V321 VanDerWaalsContact C-N 3.34Å; Q319-V321 PolarHBondContact O-N 3.42Å; Q319-L322 PolarHBondContact O-N 2.78Å; Q319-V323 WeakPolarHBondContact O-CG2 3.49Å; Q319-V323 PolarHBondContact O-N 2.62Å; Q319-F382 HydrophobicContact CB-CE2 4.42Å; Q319-F382 HydrophobicContact CG-CD2 3.26Å; Q319-F382 HydrophobicContact CG-CE2 3.42Å; Q319-F382 VanDerWaalsContact CG-CE2 3.42Å; Q319-F382 HydrophobicContact CG-CG 3.99Å; Q319-F382 HydrophobicContact CG-CZ 4.28Å
320	D	98.7	Very high	98.6	Very high	83 Å²	83	33.5 Å²	33.5	44%	0.444	20%	0.196	S	C	.	.	H	α-helix	trans	-65.7	-37.2	-180	-62.4	-45.6	0	0	0	112.2	M316 S317 L322 V323 M324	M316-D320 HydrophobicContact CB-CB 4.12Å; M316-D320 HydrophobicContact CG-CB 4.32Å; M316-D320 HydrophobicContact SD-CB 4.44Å; S317-D320 PolarHBondContact O-N 3.18Å; S317-D320 PolarHBondContact OG-N 3.04Å; S317-D320 VanDerWaalsContact OG-N 3.09Å; S317-D320 PolarHBondContact OG-OD2 3.37Å; D320-L322 VanDerWaalsContact C-N 3.34Å; D320-V323 PolarHBondContact O-N 2.82Å; D320-M324 PolarHBondContact O-N 3.26Å
321	V	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-46.4	173.1	167	0	0	0	0	110.6	Y178 M316 S317 L318 Q319 V323 M324 E325	Y178-V321 HydrophobicContact CD2-CG2 4.43Å; M316-V321 HydrophobicContact CB-CG2 3.64Å; M316-V321 HydrophobicContact SD-CG2 4.38Å; S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.07Å; L318-V321 PolarHBondContact O-N 3.14Å; Q319-V321 VanDerWaalsContact C-N 3.34Å; Q319-V321 PolarHBondContact O-N 3.42Å; V321-V323 VanDerWaalsContact C-N 3.3Å; V321-V323 PolarHBondContact O-N 3.43Å; V321-M324 HydrophobicContact CB-CE 4.5Å; V321-M324 HydrophobicContact CG1-CE 4.19Å; V321-M324 HydrophobicContact CG2-CE 4.38Å; V321-M324 CarbonylContact O-C 3.24Å; V321-M324 WeakPolarHBondContact O-CB 3.41Å; V321-M324 PolarHBondContact O-N 3.24Å; V321-M324 VanDerWaalsContact O-N 3.14Å; V321-E325 HydrophobicContact CG1-CG 4.04Å; V321-E325 WeakPolarHBondContact CG1-OE1 3.46Å; V321-E325 WeakPolarHBondContact O-CB 3.38Å; V321-E325 VanDerWaalsContact O-CG 3.3Å; V321-E325 WeakPolarHBondContact O-CG 3.43Å; V321-E325 PolarHBondContact O-N 3.29Å
322	L	98.9	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-31.7	-179.4	-69.6	166.6	0	0	0	112.1	Y118 N121 H122 L318 Q319 D320 Y326 L380 F382	Y118-L322 HydrophobicContact CD1-CD2 4.3Å; Y118-L322 HydrophobicContact CG-CD2 4.01Å; Y118-L322 WeakPolarHBondContact O-CD1 3.45Å; N121-L322 HydrophobicContact CB-CD1 4.41Å; N121-L322 HydrophobicContact CB-CD2 4.29Å; H122-L322 HydrophobicContact CB-CD1 3.68Å; L318-L322 HydrophobicContact CD1-CD1 3.98Å; L318-L322 HydrophobicContact CD1-CG 4.09Å; L318-L322 HydrophobicContact CG-CD1 3.88Å; L318-L322 HydrophobicContact CG-CG 4.43Å; L318-L322 VanDerWaalsContact O-CG 3.28Å; L318-L322 WeakPolarHBondContact O-CG 3.25Å; L318-L322 PolarHBondContact O-N 3.19Å; Q319-L322 PolarHBondContact O-N 2.78Å; D320-L322 VanDerWaalsContact C-N 3.34Å; L322-Y326 WeakPolarHBondContact O-CB 3.42Å; L322-Y326 PolarHBondContact O-N 2.69Å; L322-L380 HydrophobicContact CB-CD2 4.1Å; L322-F382 HydrophobicContact CB-CE2 4.44Å; L322-F382 HydrophobicContact CB-CZ 3.76Å; L322-F382 HydrophobicContact CD1-CE1 4.37Å; L322-F382 HydrophobicContact CD1-CZ 4.02Å
323	V	98.8	Very high	98.4	Very high	21 Å²	21	28.4 Å²	28.4	13%	0.127	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-46.3	169.7	179	0	0	0	0	111.1	Q319 D320 V321 Y326 R327 D379 L380 F382	Q319-V323 WeakPolarHBondContact O-CG2 3.49Å; Q319-V323 PolarHBondContact O-N 2.62Å; D320-V323 PolarHBondContact O-N 2.82Å; V321-V323 VanDerWaalsContact C-N 3.3Å; V321-V323 PolarHBondContact O-N 3.43Å; V323-Y326 WeakPolarHBondContact O-CB 3.38Å; V323-Y326 PolarHBondContact O-N 2.96Å; V323-R327 WeakPolarHBondContact O-CG 3.12Å; V323-R327 PolarHBondContact O-N 3.42Å; V323-D379 HydrophobicContact CG1-CB 4.35Å; V323-L380 HydrophobicContact CG2-CB 4.26Å; V323-F382 HydrophobicContact CG2-CE2 3.96Å
324	M	98.8	Very high	98.2	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-58.4	-51.4	175	173.6	-174.2	63.9	0	0	110.9	Q309 A312 M316 D320 V321 Y326 R327 L328 F372	Q309-M324 HydrophobicContact CB-CE 4.45Å; Q309-M324 HydrophobicContact CG-CE 3.63Å; A312-M324 HydrophobicContact CB-SD 3.96Å; M316-M324 HydrophobicContact SD-CE 4.34Å; M316-M324 HydrophobicContact SD-SD 4.17Å; D320-M324 PolarHBondContact O-N 3.26Å; V321-M324 HydrophobicContact CB-CE 4.5Å; V321-M324 HydrophobicContact CG1-CE 4.19Å; V321-M324 HydrophobicContact CG2-CE 4.38Å; V321-M324 CarbonylContact O-C 3.24Å; V321-M324 WeakPolarHBondContact O-CB 3.41Å; V321-M324 PolarHBondContact O-N 3.24Å; V321-M324 VanDerWaalsContact O-N 3.14Å; M324-Y326 PolarHBondContact O-N 3.23Å; M324-R327 WeakPolarHBondContact O-CB 3.44Å; M324-R327 PolarHBondContact O-N 2.9Å; M324-L328 HydrophobicContact CG-CD1 4.28Å; M324-L328 WeakPolarHBondContact O-CG 3.29Å; M324-L328 PolarHBondContact O-N 3.38Å; M324-F372 HydrophobicContact CG-CD1 3.87Å; M324-F372 HydrophobicContact CG-CE1 3.93Å; M324-F372 HydrophobicContact SD-CD1 3.93Å; M324-F372 HydrophobicContact SD-CE1 3.58Å; M324-F372 VanDerWaalsContact SD-CE1 3.58Å
325	E	98.9	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.7	-32.3	179	-70.8	179.2	-179.3	0	0	112.2	Y118 F171 D173 V174 G175 G176 G177 Q309 V321 L328 S329	Y118-E325 HydrophobicContact CE2-CB 3.96Å; F171-E325 HydrophobicContact CE2-CB 3.94Å; F171-E325 HydrophobicContact CE2-CG 3.88Å; F171-E325 HydrophobicContact CZ-CB 4.4Å; F171-E325 WeakPolarHBondContact CZ-O 3.44Å; D173-E325 VanDerWaalsContact C-OE2 3.32Å; V174-E325 PolarHBondContact N-OE2 2.89Å; V174-E325 VanDerWaalsContact N-OE2 3.09Å; G175-E325 WeakPolarHBondContact CA-OE2 3.4Å; G175-E325 PolarHBondContact N-OE2 2.69Å; G176-E325 PolarHBondContact N-OE1 2.67Å; G177-E325 PolarHBondContact N-OE1 3.22Å; Q309-E325 PolarHBondContact NE2-OE1 3.1Å; V321-E325 HydrophobicContact CG1-CG 4.04Å; V321-E325 WeakPolarHBondContact CG1-OE1 3.46Å; V321-E325 WeakPolarHBondContact O-CB 3.38Å; V321-E325 VanDerWaalsContact O-CG 3.3Å; V321-E325 WeakPolarHBondContact O-CG 3.43Å; V321-E325 PolarHBondContact O-N 3.29Å; E325-L328 PolarHBondContact O-N 3.09Å; E325-S329 WeakPolarHBondContact O-CB 3.41Å; E325-S329 PolarHBondContact O-N 3.47Å; E325-S329 PolarHBondContact O-OG 3.12Å
326	Y	98.9	Very high	98.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-60.2	-48.9	172	-170.8	-106	0	0	0	110.9	F114 R115 Y118 L322 V323 M324 L328 S329 Q330 L375 K378 L380	F114-Y326 HydrophobicContact CB-CD2 4.35Å; F114-Y326 HydrophobicContact CB-CE2 4.34Å; R115-Y326 HydrophobicContact CB-CD2 4.33Å; R115-Y326 HydrophobicContact CB-CE2 3.6Å; R115-Y326 HydrophobicContact CG-CE2 4.35Å; R115-Y326 PolarHBondContact NE-OH 3.38Å; R115-Y326 PolarHBondContact NH2-OH 2.93Å; Y118-Y326 HydrophobicContact CD2-CD2 4.2Å; Y118-Y326 HydrophobicContact CE2-CD2 4.32Å; L322-Y326 WeakPolarHBondContact O-CB 3.42Å; L322-Y326 PolarHBondContact O-N 2.69Å; V323-Y326 WeakPolarHBondContact O-CB 3.38Å; V323-Y326 PolarHBondContact O-N 2.96Å; M324-Y326 PolarHBondContact O-N 3.23Å; Y326-L328 VanDerWaalsContact C-N 3.31Å; Y326-L328 PolarHBondContact O-N 3.42Å; Y326-S329 PolarHBondContact O-N 3.29Å; Y326-S329 PolarHBondContact O-OG 2.64Å; Y326-Q330 HydrophobicContact CD1-CG 4.26Å; Y326-Q330 HydrophobicContact CE1-CG 3.82Å; Y326-Q330 HydrophobicContact CE2-CG 4.22Å; Y326-Q330 VanDerWaalsContact O-CG 3.31Å; Y326-Q330 WeakPolarHBondContact O-CG 3.38Å; Y326-Q330 PolarHBondContact O-N 2.67Å; Y326-Q330 VanDerWaalsContact O-N 3.07Å; Y326-L375 HydrophobicContact CD1-CD1 4Å; Y326-L375 HydrophobicContact CE1-CD1 3.88Å; Y326-K378 WeakPolarHBondContact CE1-O 3.12Å; Y326-L380 HydrophobicContact CD1-CB 4.03Å; Y326-L380 HydrophobicContact CG-CB 3.86Å
327	R	98.7	Very high	98.1	Very high	60 Å²	60	31.4 Å²	31.4	23%	0.226	16%	0.159	C	C	.	.	H	α-helix	trans	-56.4	-46.3	176	-59.7	163.8	-179.1	166.8	1.4	111.8	V323 M324 Q330 A331 F372 A373 L375 D379	V323-R327 WeakPolarHBondContact O-CG 3.12Å; V323-R327 PolarHBondContact O-N 3.42Å; M324-R327 WeakPolarHBondContact O-CB 3.44Å; M324-R327 PolarHBondContact O-N 2.9Å; R327-Q330 PolarHBondContact O-N 3.34Å; R327-A331 PolarHBondContact O-N 2.95Å; R327-F372 WeakPolarHBondContact CD-O 3.33Å; R327-A373 WeakPolarHBondContact CD-O 3.32Å; R327-L375 HydrophobicContact CG-CD1 4.42Å; R327-L375 HydrophobicContact CG-CG 4.14Å; R327-D379 VanDerWaalsContact CG-OD1 3.3Å; R327-D379 WeakPolarHBondContact CG-OD1 3.41Å; R327-D379 IonicContact CZ-OD1 3.26Å; R327-D379 IonicContact CZ-OD2 2.72Å; R327-D379 IonicContact NE-OD1 3.79Å; R327-D379 PolarHBondContact NE-OD1 3.27Å; R327-D379 IonicContact NE-OD2 3.49Å; R327-D379 PolarHBondContact NE-OD2 2.77Å; R327-D379 IonicContact NH2-OD1 2.75Å; R327-D379 IonicContact NH2-OD2 3.96Å; R327-D379 PolarHBondContact NH2-OD2 2.9Å
328	L	98.8	Very high	98	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-61.4	-45.1	178.5	-60.7	-179.1	0	0	0	112	F171 V305 Q309 M324 E325 Y326 Q330 A331 C332 C371 F372	F171-L328 HydrophobicContact CD1-CB 3.95Å; F171-L328 HydrophobicContact CD2-CB 4.48Å; F171-L328 HydrophobicContact CD2-CD1 4.14Å; F171-L328 VanDerWaalsContact CE1-C 3.4Å; F171-L328 HydrophobicContact CE1-CB 3.3Å; F171-L328 HydrophobicContact CE2-CB 3.88Å; F171-L328 HydrophobicContact CE2-CD1 4.01Å; F171-L328 HydrophobicContact CG-CD1 4.47Å; F171-L328 HydrophobicContact CZ-CB 3.26Å; F171-L328 HydrophobicContact CZ-CD1 4.28Å; F171-L328 HydrophobicContact CZ-CG 4.38Å; V305-L328 HydrophobicContact CG1-CD1 3.91Å; V305-L328 HydrophobicContact CG1-CD2 3.9Å; V305-L328 HydrophobicContact CG1-CG 4.32Å; Q309-L328 HydrophobicContact CB-CD1 4.06Å; Q309-L328 HydrophobicContact CG-CD1 3.93Å; M324-L328 HydrophobicContact CG-CD1 4.28Å; M324-L328 WeakPolarHBondContact O-CG 3.29Å; M324-L328 PolarHBondContact O-N 3.38Å; E325-L328 PolarHBondContact O-N 3.09Å; Y326-L328 VanDerWaalsContact C-N 3.31Å; Y326-L328 PolarHBondContact O-N 3.42Å; L328-Q330 VanDerWaalsContact C-N 3.31Å; L328-Q330 PolarHBondContact O-N 3.4Å; L328-A331 WeakPolarHBondContact O-CB 3.3Å; L328-A331 PolarHBondContact O-N 2.87Å; L328-A331 VanDerWaalsContact O-N 3.13Å; L328-C332 PolarHBondContact O-N 3.5Å; L328-C332 PolarHBondContact O-SG 2.58Å; L328-C371 HydrophobicContact CD2-CB 4.02Å; L328-F372 HydrophobicContact CD1-CE1 4.08Å; L328-F372 HydrophobicContact CD1-CE2 4.44Å; L328-F372 HydrophobicContact CD1-CZ 3.92Å; L328-F372 HydrophobicContact CD2-CD1 4.06Å; L328-F372 HydrophobicContact CD2-CD2 3.44Å; L328-F372 VanDerWaalsContact CD2-CD2 3.44Å; L328-F372 HydrophobicContact CD2-CE1 4.02Å; L328-F372 HydrophobicContact CD2-CE2 3.4Å; L328-F372 VanDerWaalsContact CD2-CE2 3.4Å; L328-F372 HydrophobicContact CD2-CG 3.78Å; L328-F372 HydrophobicContact CD2-CZ 3.7Å; L328-F372 HydrophobicContact CG-CE1 4.49Å; L328-F372 HydrophobicContact CG-CZ 4.4Å
329	S	98.4	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.9	-43.8	178.3	70.2	0	0	0	0	111	E325 Y326 A331 C332 M333	E325-S329 WeakPolarHBondContact O-CB 3.41Å; E325-S329 PolarHBondContact O-N 3.47Å; E325-S329 PolarHBondContact O-OG 3.12Å; Y326-S329 PolarHBondContact O-N 3.29Å; Y326-S329 PolarHBondContact O-OG 2.64Å; S329-A331 VanDerWaalsContact C-N 3.31Å; S329-A331 PolarHBondContact O-N 3.49Å; S329-C332 WeakPolarHBondContact O-CB 3.23Å; S329-C332 PolarHBondContact O-N 2.92Å; S329-M333 WeakPolarHBondContact O-CG 3.12Å; S329-M333 PolarHBondContact O-N 3.3Å
330	Q	97.8	Very high	98	Very high	9 Å²	9	27.5 Å²	27.5	4%	0.042	13%	0.133	C	C	.	.	H	α-helix	trans	-67.9	-33	178.3	-57.9	-44.1	-69.7	0	0	111.7	Q111 Y326 R327 L328 M333 R334 L375	Q111-Q330 VanDerWaalsContact CG-OE1 3.3Å; Y326-Q330 HydrophobicContact CD1-CG 4.26Å; Y326-Q330 HydrophobicContact CE1-CG 3.82Å; Y326-Q330 HydrophobicContact CE2-CG 4.22Å; Y326-Q330 VanDerWaalsContact O-CG 3.31Å; Y326-Q330 WeakPolarHBondContact O-CG 3.38Å; Y326-Q330 PolarHBondContact O-N 2.67Å; Y326-Q330 VanDerWaalsContact O-N 3.07Å; R327-Q330 PolarHBondContact O-N 3.34Å; L328-Q330 VanDerWaalsContact C-N 3.31Å; L328-Q330 PolarHBondContact O-N 3.4Å; Q330-M333 PolarHBondContact O-N 3.47Å; Q330-R334 VanDerWaalsContact C-NH1 3.32Å; Q330-R334 WeakPolarHBondContact O-CG 3.39Å; Q330-R334 PolarHBondContact O-N 3.34Å; Q330-R334 PolarHBondContact O-NH1 3.05Å; Q330-L375 HydrophobicContact CB-CD1 3.99Å; Q330-L375 HydrophobicContact CG-CD1 3.73Å
331	A	97.8	Very high	98	Very high	12 Å²	12	23.5 Å²	23.5	10%	0.099	11%	0.112	C	C	.	.	H	α-helix	trans	-65.6	-44.6	172.1	0	0	0	0	0	111.6	R327 L328 S329 M333 R334 G335 C371	R327-A331 PolarHBondContact O-N 2.95Å; L328-A331 WeakPolarHBondContact O-CB 3.3Å; L328-A331 PolarHBondContact O-N 2.87Å; L328-A331 VanDerWaalsContact O-N 3.13Å; S329-A331 VanDerWaalsContact C-N 3.31Å; S329-A331 PolarHBondContact O-N 3.49Å; A331-M333 VanDerWaalsContact C-N 3.33Å; A331-M333 PolarHBondContact O-N 2.64Å; A331-R334 PolarHBondContact O-N 2.91Å; A331-R334 VanDerWaalsContact O-N 3.15Å; A331-G335 PolarHBondContact O-N 3.2Å; A331-G335 VanDerWaalsContact O-N 3.07Å; A331-C371 HydrophobicContact CB-CB 3.92Å
332	C	97.6	Very high	97.9	Very high	15 Å²	15	23.5 Å²	23.5	10%	0.101	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-40.3	173.8	-72	0	0	0	0	112.3	L170 L328 S329 R334 G335	L170-C332 HydrophobicContact CD1-CB 3.68Å; L328-C332 PolarHBondContact O-N 3.5Å; L328-C332 PolarHBondContact O-SG 2.58Å; S329-C332 WeakPolarHBondContact O-CB 3.23Å; S329-C332 PolarHBondContact O-N 2.92Å; C332-R334 VanDerWaalsContact C-N 3.25Å; C332-R334 PolarHBondContact O-N 3.43Å; C332-G335 WeakPolarHBondContact O-CA 3.38Å; C332-G335 PolarHBondContact O-N 3Å
333	M	95.8	Very high	97.9	Very high	17 Å²	17	26.1 Å²	26.1	8%	0.084	12%	0.122	C	C	.	.	H	α-helix	trans	-65.7	-25.4	177	-67.2	-48.2	94.9	0	0	113.6	V99 F114 L170 S329 Q330 A331 F338 Y339	V99-M333 HydrophobicContact CG1-SD 3.83Å; F114-M333 HydrophobicContact CE2-CE 3.86Å; F114-M333 HydrophobicContact CE2-CG 4.19Å; F114-M333 HydrophobicContact CE2-SD 3.88Å; F114-M333 HydrophobicContact CZ-CE 4.18Å; L170-M333 HydrophobicContact CD1-CE 4.22Å; S329-M333 WeakPolarHBondContact O-CG 3.12Å; S329-M333 PolarHBondContact O-N 3.3Å; Q330-M333 PolarHBondContact O-N 3.47Å; A331-M333 VanDerWaalsContact C-N 3.33Å; A331-M333 PolarHBondContact O-N 2.64Å; M333-F338 HydrophobicContact CE-CB 4.09Å; M333-F338 HydrophobicContact CE-CD1 3.17Å; M333-F338 HydrophobicContact CE-CD2 3.76Å; M333-F338 HydrophobicContact CE-CE1 3.36Å; M333-F338 HydrophobicContact CE-CE2 3.93Å; M333-F338 HydrophobicContact CE-CG 3.37Å; M333-F338 HydrophobicContact CE-CZ 3.73Å; M333-F338 HydrophobicContact SD-CD1 3.68Å; M333-F338 HydrophobicContact SD-CE1 3.52Å; M333-F338 VanDerWaalsContact SD-CE1 3.52Å; M333-F338 HydrophobicContact SD-CG 4.47Å; M333-F338 HydrophobicContact SD-CZ 4.21Å; M333-Y339 VanDerWaalsContact O-CE2 3.24Å; M333-Y339 WeakPolarHBondContact O-CE2 2.89Å; M333-Y339 PolarHBondContact O-OH 3.37Å
334	R	95	Very high	97.9	Very high	161 Å²	161	25.1 Å²	25.1	61%	0.608	12%	0.116	S	C	*	.	H	α-helix	trans	-83.5	-18.5	171.1	-66.6	-175.3	-61.4	-89	7.7	112.6	Q330 A331 C332	Q330-R334 VanDerWaalsContact C-NH1 3.32Å; Q330-R334 WeakPolarHBondContact O-CG 3.39Å; Q330-R334 PolarHBondContact O-N 3.34Å; Q330-R334 PolarHBondContact O-NH1 3.05Å; A331-R334 PolarHBondContact O-N 2.91Å; A331-R334 VanDerWaalsContact O-N 3.15Å; C332-R334 VanDerWaalsContact C-N 3.25Å; C332-R334 PolarHBondContact O-N 3.43Å
335	G	95.1	Very high	97.8	Very high	31 Å²	31	26.5 Å²	26.5	32%	0.32	13%	0.125	S	C	.	.	S	Bend	trans	-81.8	180	-176.2	0	0	0	0	0	113.5	A331 C332 Y339	A331-G335 PolarHBondContact O-N 3.2Å; A331-G335 VanDerWaalsContact O-N 3.07Å; C332-G335 WeakPolarHBondContact O-CA 3.38Å; C332-G335 PolarHBondContact O-N 3Å; G335-Y339 WeakPolarHBondContact O-CD2 3.17Å; G335-Y339 WeakPolarHBondContact O-CE2 3.36Å
336	H	97.7	Very high	97.6	Very high	78 Å²	78	30 Å²	30	36%	0.361	14%	0.143	S	C	.	.	S	Bend	trans	-90.3	-48.2	179.8	169.8	-87.1	0	0	0	112.3	F338 Y339 E340 R354 R356	H336-F338 VanDerWaalsContact C-N 3.31Å; H336-F338 PolarHBondContact O-N 2.95Å; H336-Y339 PolarHBondContact O-N 3.29Å; H336-E340 PolarHBondContact O-N 2.79Å; H336-R354 PolarHBondContact CE1-O 3.07Å; H336-R356 HydrophobicContact CB-CB 4.16Å; H336-R356 WeakPolarHBondContact ND1-CB 3.33Å
337	D	98.5	Very high	97.4	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-63.6	-32.4	-163.3	-73.8	-2.3	0	0	0	113.7	S299 Y339 E340 G341 W355 R356	S299-D337 WeakPolarHBondContact CB-OD2 3.49Å; S299-D337 PolarHBondContact OG-OD2 3.17Å; D337-Y339 PolarHBondContact O-N 3.08Å; D337-E340 PolarHBondContact O-N 3.4Å; D337-G341 PolarHBondContact O-N 3.2Å; D337-W355 HydrophobicContact CB-CE3 3.81Å; D337-W355 HydrophobicContact CB-CZ3 4.08Å; D337-W355 WeakPolarHBondContact O-CZ3 3.48Å; D337-W355 WeakPolarHBondContact OD1-CA 3.39Å; D337-R356 PolarHBondContact OD1-N 2.91Å
338	F	98.4	Very high	97.3	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-58.6	-50	176.8	175	-108.9	0	0	0	112.1	I96 V99 T100 I168 G169 L170 M333 H336 E340 G341 V342	I96-F338 HydrophobicContact CB-CE2 4.36Å; I96-F338 HydrophobicContact CB-CZ 4.2Å; V99-F338 HydrophobicContact CB-CZ 4.45Å; V99-F338 HydrophobicContact CG1-CE1 4.11Å; V99-F338 HydrophobicContact CG1-CZ 4.02Å; T100-F338 WeakPolarHBondContact OG1-CE1 3.22Å; I168-F338 WeakPolarHBondContact O-CA 3.39Å; G169-F338 PolarHBondContact O-N 3.46Å; L170-F338 HydrophobicContact CB-CD2 4.23Å; L170-F338 HydrophobicContact CD1-CD2 4.07Å; L170-F338 HydrophobicContact CD1-CE2 4.44Å; L170-F338 HydrophobicContact CD2-CE2 4.36Å; M333-F338 HydrophobicContact CE-CB 4.09Å; M333-F338 HydrophobicContact CE-CD1 3.17Å; M333-F338 HydrophobicContact CE-CD2 3.76Å; M333-F338 HydrophobicContact CE-CE1 3.36Å; M333-F338 HydrophobicContact CE-CE2 3.93Å; M333-F338 HydrophobicContact CE-CG 3.37Å; M333-F338 HydrophobicContact CE-CZ 3.73Å; M333-F338 HydrophobicContact SD-CD1 3.68Å; M333-F338 HydrophobicContact SD-CE1 3.52Å; M333-F338 VanDerWaalsContact SD-CE1 3.52Å; M333-F338 HydrophobicContact SD-CG 4.47Å; M333-F338 HydrophobicContact SD-CZ 4.21Å; H336-F338 VanDerWaalsContact C-N 3.31Å; H336-F338 PolarHBondContact O-N 2.95Å; F338-E340 PolarHBondContact O-N 3.37Å; F338-G341 PolarHBondContact O-N 3.48Å; F338-V342 HydrophobicContact CD2-CG2 4.22Å; F338-V342 HydrophobicContact CE2-CG2 3.84Å; F338-V342 HydrophobicContact CZ-CG2 4.04Å; F338-V342 WeakPolarHBondContact O-CG2 3.38Å; F338-V342 PolarHBondContact O-N 3.3Å
339	Y	98.4	Very high	97.2	Very high	50 Å²	50	41.3 Å²	41.3	20%	0.196	20%	0.2	C	C	.	.	H	α-helix	trans	-67	-39.8	-179	-59	-83.1	0	0	0	111.7	T100 K104 M333 G335 H336 D337 R343	T100-Y339 HydrophobicContact CG2-CD1 3.71Å; T100-Y339 HydrophobicContact CG2-CE1 4.44Å; K104-Y339 HydrophobicContact CG-CD1 4.08Å; K104-Y339 HydrophobicContact CG-CE1 4.23Å; M333-Y339 VanDerWaalsContact O-CE2 3.24Å; M333-Y339 WeakPolarHBondContact O-CE2 2.89Å; M333-Y339 PolarHBondContact O-OH 3.37Å; G335-Y339 WeakPolarHBondContact O-CD2 3.17Å; G335-Y339 WeakPolarHBondContact O-CE2 3.36Å; H336-Y339 PolarHBondContact O-N 3.29Å; D337-Y339 PolarHBondContact O-N 3.08Å; Y339-R343 WeakPolarHBondContact O-CB 3.47Å; Y339-R343 PolarHBondContact O-N 3.01Å
340	E	98.6	Very high	97.1	Very high	23 Å²	23	44.8 Å²	44.8	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-68.1	-40.5	177.7	173.5	57	-168.5	0	0	112.4	H336 D337 F338 R343 A344 P353 R354 W355	H336-E340 PolarHBondContact O-N 2.79Å; D337-E340 PolarHBondContact O-N 3.4Å; F338-E340 PolarHBondContact O-N 3.37Å; E340-R343 WeakPolarHBondContact O-CB 3.48Å; E340-R343 PolarHBondContact O-N 3.25Å; E340-R343 IonicContact OE1-CZ 3.31Å; E340-R343 IonicContact OE1-NE 2.73Å; E340-R343 PolarHBondContact OE1-NE 3.01Å; E340-R343 IonicContact OE1-NH2 2.77Å; E340-R343 PolarHBondContact OE1-NH2 3.43Å; E340-R343 IonicContact OE2-CZ 3.83Å; E340-R343 IonicContact OE2-NE 3.04Å; E340-R343 PolarHBondContact OE2-NE 3.09Å; E340-R343 IonicContact OE2-NH2 2.91Å; E340-A344 WeakPolarHBondContact O-CB 3.24Å; E340-A344 PolarHBondContact O-N 2.92Å; E340-P353 HydrophobicContact CG-CB 4.19Å; E340-P353 WeakPolarHBondContact OE1-CA 3.15Å; E340-R354 HydrophobicContact CG-CB 4.49Å; E340-R354 PolarHBondContact OE1-N 3.18Å; E340-W355 HydrophobicContact CG-CE3 4.39Å; E340-W355 HydrophobicContact CG-CZ3 4.43Å
341	G	98.4	Very high	97	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.7	-44.9	178.1	0	0	0	0	0	111.9	D337 F338 R343 A344 V345	D337-G341 PolarHBondContact O-N 3.2Å; F338-G341 PolarHBondContact O-N 3.48Å; G341-R343 VanDerWaalsContact C-N 3.32Å; G341-R343 PolarHBondContact O-N 2.93Å; G341-A344 PolarHBondContact O-N 3.12Å; G341-V345 WeakPolarHBondContact O-CB 3.39Å; G341-V345 WeakPolarHBondContact O-CG2 3.34Å; G341-V345 PolarHBondContact O-N 2.93Å
342	V	97.8	Very high	97	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-41.1	173.9	173.1	0	0	0	0	111.2	I96 T100 F338 L346 I347	I96-V342 HydrophobicContact CD1-CG2 3.82Å; I96-V342 HydrophobicContact CG1-CG2 4.22Å; T100-V342 HydrophobicContact CG2-CB 4.32Å; T100-V342 HydrophobicContact CG2-CG1 4.09Å; T100-V342 WeakPolarHBondContact OG1-CG1 3.15Å; T100-V342 WeakPolarHBondContact OG1-CG2 3.3Å; F338-V342 HydrophobicContact CD2-CG2 4.22Å; F338-V342 HydrophobicContact CE2-CG2 3.84Å; F338-V342 HydrophobicContact CZ-CG2 4.04Å; F338-V342 WeakPolarHBondContact O-CG2 3.38Å; F338-V342 PolarHBondContact O-N 3.3Å; V342-L346 HydrophobicContact CG1-CB 4.37Å; V342-L346 HydrophobicContact CG1-CD1 4.33Å; V342-L346 WeakPolarHBondContact O-CB 3.14Å; V342-L346 PolarHBondContact O-N 2.78Å; V342-I347 HydrophobicContact CG1-CD1 4.25Å; V342-I347 HydrophobicContact CG1-CG1 4.32Å; V342-I347 PolarHBondContact O-N 3.21Å
343	R	98.3	Very high	97	Very high	55 Å²	55	55 Å²	55	21%	0.208	27%	0.269	C	S	.	.	I	π-helix	trans	-55.7	-57.8	173.1	-177.1	-154.2	65.1	72.7	2.1	110.7	Y339 E340 G341 V345 I347 D348 D350 N352	Y339-R343 WeakPolarHBondContact O-CB 3.47Å; Y339-R343 PolarHBondContact O-N 3.01Å; E340-R343 WeakPolarHBondContact O-CB 3.48Å; E340-R343 PolarHBondContact O-N 3.25Å; E340-R343 IonicContact OE1-CZ 3.31Å; E340-R343 IonicContact OE1-NE 2.73Å; E340-R343 PolarHBondContact OE1-NE 3.01Å; E340-R343 IonicContact OE1-NH2 2.77Å; E340-R343 PolarHBondContact OE1-NH2 3.43Å; E340-R343 IonicContact OE2-CZ 3.83Å; E340-R343 IonicContact OE2-NE 3.04Å; E340-R343 PolarHBondContact OE2-NE 3.09Å; E340-R343 IonicContact OE2-NH2 2.91Å; G341-R343 VanDerWaalsContact C-N 3.32Å; G341-R343 PolarHBondContact O-N 2.93Å; R343-V345 PolarHBondContact O-N 3.36Å; R343-I347 PolarHBondContact O-N 3.47Å; R343-D348 WeakPolarHBondContact CD-OD2 3.27Å; R343-D348 WeakPolarHBondContact CG-OD2 3.3Å; R343-D348 IonicContact CZ-OD2 3.89Å; R343-D348 IonicContact NE-OD2 3.94Å; R343-D348 IonicContact NH1-OD2 2.65Å; R343-D348 PolarHBondContact NH1-OD2 3.41Å; R343-D348 PolarHBondContact O-N 2.84Å; R343-D350 IonicContact CZ-OD2 2.64Å; R343-D350 IonicContact NH1-OD1 2.67Å; R343-D350 IonicContact NH1-OD2 2.69Å; R343-D350 PolarHBondContact NH1-OD2 3.21Å; R343-D350 IonicContact NH2-OD1 2.62Å; R343-D350 IonicContact NH2-OD2 3.07Å; R343-D350 PolarHBondContact NH2-OD2 3.01Å; R343-N352 PolarHBondContact NH2-O 3.1Å
344	A	98.1	Very high	97.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-63.1	-38.3	-174.1	0	0	0	0	0	113.5	E340 G341 K349 D350 Q351 P353	E340-A344 WeakPolarHBondContact O-CB 3.24Å; E340-A344 PolarHBondContact O-N 2.92Å; G341-A344 PolarHBondContact O-N 3.12Å; A344-K349 CarbonylContact O-C 3.44Å; A344-K349 VanDerWaalsContact O-C 3.31Å; A344-K349 WeakPolarHBondContact O-CA 3.43Å; A344-K349 PolarHBondContact O-N 3.04Å; A344-D350 VanDerWaalsContact CA-OD1 3.26Å; A344-D350 WeakPolarHBondContact CA-OD1 3.46Å; A344-D350 WeakPolarHBondContact CB-OD1 3.41Å; A344-D350 PolarHBondContact O-N 2.67Å; A344-Q351 PolarHBondContact O-N 3.45Å; A344-Q351 VanDerWaalsContact O-N 3.14Å; A344-P353 HydrophobicContact CB-CB 3.77Å; A344-P353 HydrophobicContact CB-CG 4.36Å
345	V	97.1	Very high	97.3	Very high	35 Å²	35	56.9 Å²	56.9	21%	0.212	28%	0.275	C	S	.	.	I	π-helix	trans	-92.8	-39.3	-172.2	178.3	0	0	0	0	112.8	I168 G341 R343	I168-V345 HydrophobicContact CG2-CB 3.91Å; I168-V345 HydrophobicContact CG2-CG1 4.09Å; I168-V345 HydrophobicContact CG2-CG2 3.88Å; G341-V345 WeakPolarHBondContact O-CB 3.39Å; G341-V345 WeakPolarHBondContact O-CG2 3.34Å; G341-V345 PolarHBondContact O-N 2.93Å; R343-V345 PolarHBondContact O-N 3.36Å
346	L	94.3	Very high	97.4	Very high	74 Å²	74	64.3 Å²	64.3	39%	0.387	29%	0.293	S	S	.	.	I	π-helix	trans	-112.5	-34.1	-168.9	-62.4	-177.5	0	0	0	114.5	I96 V342 K349	I96-L346 HydrophobicContact CD1-CD1 3.59Å; I96-L346 HydrophobicContact CG1-CD1 3.53Å; V342-L346 HydrophobicContact CG1-CB 4.37Å; V342-L346 HydrophobicContact CG1-CD1 4.33Å; V342-L346 WeakPolarHBondContact O-CB 3.14Å; V342-L346 PolarHBondContact O-N 2.78Å; L346-K349 WeakPolarHBondContact O-CE 3.32Å
347	I	94.8	Very high	97.5	Very high	60 Å²	60	61.7 Å²	61.7	31%	0.308	28%	0.283	S	S	.	.	I	π-helix	trans	-89.5	-67.5	-176.4	-55	178.1	0	0	0	109.9	V342 R343	V342-I347 HydrophobicContact CG1-CD1 4.25Å; V342-I347 HydrophobicContact CG1-CG1 4.32Å; V342-I347 PolarHBondContact O-N 3.21Å; R343-I347 PolarHBondContact O-N 3.47Å
348	D	97.1	Very high	97.4	Very high	93 Å²	93	65.6 Å²	65.6	50%	0.497	31%	0.309	S	S	.	.	S	Bend	trans	-83.8	-27.3	-176.2	-64.4	-10.8	0	0	0	111.4	R343 D350	R343-D348 WeakPolarHBondContact CD-OD2 3.27Å; R343-D348 WeakPolarHBondContact CG-OD2 3.3Å; R343-D348 IonicContact CZ-OD2 3.89Å; R343-D348 IonicContact NE-OD2 3.94Å; R343-D348 IonicContact NH1-OD2 2.65Å; R343-D348 PolarHBondContact NH1-OD2 3.41Å; R343-D348 PolarHBondContact O-N 2.84Å; D348-D350 PolarHBondContact O-N 2.98Å
349	K	96.1	Very high	97.3	Very high	146 Å²	146	67.2 Å²	67.2	64%	0.635	32%	0.32	S	S	*	.			trans	58.2	30	178.4	-53.7	179.8	-179.2	176.1	0	113.4	A344 L346 Q351	A344-K349 CarbonylContact O-C 3.44Å; A344-K349 VanDerWaalsContact O-C 3.31Å; A344-K349 WeakPolarHBondContact O-CA 3.43Å; A344-K349 PolarHBondContact O-N 3.04Å; L346-K349 WeakPolarHBondContact O-CE 3.32Å; K349-Q351 VanDerWaalsContact C-N 3.31Å
350	D	97.2	Very high	97.3	Very high	74 Å²	74	65.9 Å²	65.9	40%	0.396	32%	0.316	S	S	.	.			trans	-78.8	-14.5	177.4	64.8	14.7	0	0	0	113.3	R343 A344 D348 N352	R343-D350 IonicContact CZ-OD2 2.64Å; R343-D350 IonicContact NH1-OD1 2.67Å; R343-D350 IonicContact NH1-OD2 2.69Å; R343-D350 PolarHBondContact NH1-OD2 3.21Å; R343-D350 IonicContact NH2-OD1 2.62Å; R343-D350 IonicContact NH2-OD2 3.07Å; R343-D350 PolarHBondContact NH2-OD2 3.01Å; A344-D350 VanDerWaalsContact CA-OD1 3.26Å; A344-D350 WeakPolarHBondContact CA-OD1 3.46Å; A344-D350 WeakPolarHBondContact CB-OD1 3.41Å; A344-D350 PolarHBondContact O-N 2.67Å; D348-D350 PolarHBondContact O-N 2.98Å; D350-N352 HydrophobicContact CB-CB 4.46Å; D350-N352 PolarHBondContact O-N 3.24Å; D350-N352 PolarHBondContact OD1-N 2.95Å
351	Q	95.9	Very high	97.2	Very high	126 Å²	126	70.7 Å²	70.7	59%	0.589	34%	0.343	S	S	*	.	S	Bend	trans	54.9	27.8	-175.3	-51.5	-62.8	-44.1	0	0	113.2	A344 K349 P353	A344-Q351 PolarHBondContact O-N 3.45Å; A344-Q351 VanDerWaalsContact O-N 3.14Å; K349-Q351 VanDerWaalsContact C-N 3.31Å; Q351-P353 VanDerWaalsContact C-CD 3.42Å; Q351-P353 WeakPolarHBondContact O-CD 3.26Å
352	N	97	Very high	97.1	Very high	98 Å²	98	75.9 Å²	75.9	52%	0.524	37%	0.367	S	S	.	.			trans	-129.2	65.1	-174.8	-171.3	33.7	0	0	0	111.9	R343 D350	R343-N352 PolarHBondContact NH2-O 3.1Å; D350-N352 HydrophobicContact CB-CB 4.46Å; D350-N352 PolarHBondContact O-N 3.24Å; D350-N352 PolarHBondContact OD1-N 2.95Å
353	P	97.9	Very high	97.1	Very high	26 Å²	26	76 Å²	76	17%	0.169	37%	0.368	C	S	.	.			trans	-69.9	141.1	179.1	29.3	-34.2	0	0	0	112	E340 A344 Q351 W355	E340-P353 HydrophobicContact CG-CB 4.19Å; E340-P353 WeakPolarHBondContact OE1-CA 3.15Å; A344-P353 HydrophobicContact CB-CB 3.77Å; A344-P353 HydrophobicContact CB-CG 4.36Å; Q351-P353 VanDerWaalsContact C-CD 3.42Å; Q351-P353 WeakPolarHBondContact O-CD 3.26Å; P353-W355 HydrophobicContact CB-CD2 3.85Å; P353-W355 HydrophobicContact CB-CE3 3.85Å; P353-W355 HydrophobicContact CB-CH2 3.34Å; P353-W355 HydrophobicContact CB-CZ2 3.33Å; P353-W355 HydrophobicContact CB-CZ3 3.59Å; P353-W355 HydrophobicContact CG-CD2 4.14Å; P353-W355 HydrophobicContact CG-CH2 3.61Å; P353-W355 HydrophobicContact CG-CZ2 3.07Å; P353-W355 HydrophobicContact CG-CZ3 4.31Å
354	R	98.4	Very high	97.1	Very high	191 Å²	191	76.4 Å²	76.4	72%	0.721	38%	0.379	S	S	*	.			trans	-101.6	79.9	176.7	-62.7	-175.8	-179	-172.7	1.1	110.9	H336 E340	H336-R354 PolarHBondContact CE1-O 3.07Å; E340-R354 HydrophobicContact CG-CB 4.49Å; E340-R354 PolarHBondContact OE1-N 3.18Å
355	W	98.6	Very high	97	Very high	27 Å²	27	82.1 Å²	82.1	10%	0.102	41%	0.409	C	S	.	.			trans	-60.8	146.4	-175.4	-51.8	130.6	0	0	0	114.2	A167 R297 M298 D337 E340 P353 P357 P358	A167-W355 WeakPolarHBondContact O-CH2 3.39Å; R297-W355 PolarHBondContact O-NE1 3.24Å; M298-W355 PolarHBondContact O-NE1 3.47Å; D337-W355 HydrophobicContact CB-CE3 3.81Å; D337-W355 HydrophobicContact CB-CZ3 4.08Å; D337-W355 WeakPolarHBondContact O-CZ3 3.48Å; D337-W355 WeakPolarHBondContact OD1-CA 3.39Å; E340-W355 HydrophobicContact CG-CE3 4.39Å; E340-W355 HydrophobicContact CG-CZ3 4.43Å; P353-W355 HydrophobicContact CB-CD2 3.85Å; P353-W355 HydrophobicContact CB-CE3 3.85Å; P353-W355 HydrophobicContact CB-CH2 3.34Å; P353-W355 HydrophobicContact CB-CZ2 3.33Å; P353-W355 HydrophobicContact CB-CZ3 3.59Å; P353-W355 HydrophobicContact CG-CD2 4.14Å; P353-W355 HydrophobicContact CG-CH2 3.61Å; P353-W355 HydrophobicContact CG-CZ2 3.07Å; P353-W355 HydrophobicContact CG-CZ3 4.31Å; W355-P357 CarbonylContact C-O 3.48Å; W355-P357 CarbonylContact O-C 3.59Å; W355-P358 WeakPolarHBondContact O-CA 3.48Å
356	R	98	Very high	97.1	Very high	187 Å²	187	89.3 Å²	89.3	71%	0.706	43%	0.433	S	S	*	.	S	Bend	trans	-132.9	109.8	174.5	-172.4	178.8	177.9	-179.5	-1.1	110.2	H336 D337	H336-R356 HydrophobicContact CB-CB 4.16Å; H336-R356 WeakPolarHBondContact ND1-CB 3.33Å; D337-R356 PolarHBondContact OD1-N 2.91Å
357	P	97.9	Very high	97.2	Very high	23 Å²	23	89.9 Å²	89.9	15%	0.149	43%	0.433	C	S	.	.	S	Bend	cis	-71	157	-1.4	31.1	-37	0	0	0	113.5	P300 W355 S359 Q362 V363	P300-P357 WeakPolarHBondContact CG-O 3.47Å; W355-P357 CarbonylContact C-O 3.48Å; W355-P357 CarbonylContact O-C 3.59Å; P357-S359 VanDerWaalsContact C-N 3.35Å; P357-S359 PolarHBondContact O-N 3.48Å; P357-Q362 HydrophobicContact CB-CB 3.6Å; P357-Q362 HydrophobicContact CG-CB 4.24Å; P357-V363 HydrophobicContact CG-CB 4.33Å; P357-V363 HydrophobicContact CG-CG2 3.38Å
358	P	97.3	Very high	97.4	Very high	89 Å²	89	87.4 Å²	87.4	58%	0.578	42%	0.42	S	S	*	.	S	Bend	trans	-78	-12.3	-176.8	31.7	-38.4	0	0	0	114.8	W355	W355-P358 WeakPolarHBondContact O-CA 3.48Å
359	S	96.8	Very high	97.4	Very high	34 Å²	34	86.6 Å²	86.6	24%	0.238	42%	0.416	C	S	.	.	S	Bend	trans	-142.8	157.8	-177.2	66.3	0	0	0	0	112.7	P357 D361 Q362	P357-S359 VanDerWaalsContact C-N 3.35Å; P357-S359 PolarHBondContact O-N 3.48Å; S359-D361 WeakPolarHBondContact CB-OD1 3.35Å; S359-D361 PolarHBondContact O-N 3.4Å; S359-D361 PolarHBondContact OG-OD1 3.05Å; S359-Q362 PolarHBondContact O-N 2.74Å; S359-Q362 PolarHBondContact OG-NE2 2.87Å
360	L	97.3	Very high	97.5	Very high	22 Å²	22	84 Å²	84	12%	0.115	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-64.4	-38.1	-175	-74.4	167	0	0	0	113.3	V273 E274 L277 P300 L303 K304 Q362 V363	V273-L360 HydrophobicContact CB-CD2 4.42Å; V273-L360 HydrophobicContact CG1-CD1 3.77Å; V273-L360 HydrophobicContact CG1-CD2 3.99Å; E274-L360 HydrophobicContact CG-CB 4.25Å; L277-L360 HydrophobicContact CD1-CD1 3.27Å; L277-L360 HydrophobicContact CG-CD1 4.49Å; P300-L360 HydrophobicContact CB-CD2 3.96Å; P300-L360 HydrophobicContact CB-CG 4.21Å; L303-L360 HydrophobicContact CB-CD2 4.18Å; L303-L360 HydrophobicContact CD1-CD2 4.22Å; K304-L360 WeakPolarHBondContact CE-O 3.22Å; K304-L360 HydrophobicContact CG-CD2 3.94Å; K304-L360 PolarHBondContact NZ-O 3.49Å; L360-Q362 PolarHBondContact O-N 3.41Å; L360-V363 PolarHBondContact O-N 3.13Å
361	D	96.1	Very high	97.6	Very high	124 Å²	124	81 Å²	81	66%	0.663	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-63.4	-22	179.9	59.7	-65.3	0	0	0	113	S359	S359-D361 WeakPolarHBondContact CB-OD1 3.35Å; S359-D361 PolarHBondContact O-N 3.4Å; S359-D361 PolarHBondContact OG-OD1 3.05Å
362	Q	97.6	Very high	97.7	Very high	110 Å²	110	76.2 Å²	76.2	51%	0.514	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-89.6	-9.3	177.6	-65.6	-178.5	22	0	0	113.3	P357 S359 L360 S364	P357-Q362 HydrophobicContact CB-CB 3.6Å; P357-Q362 HydrophobicContact CG-CB 4.24Å; S359-Q362 PolarHBondContact O-N 2.74Å; S359-Q362 PolarHBondContact OG-NE2 2.87Å; L360-Q362 PolarHBondContact O-N 3.41Å; Q362-S364 PolarHBondContact O-N 3.3Å
363	V	98.1	Very high	97.7	Very high	2 Å²	2	74 Å²	74	1%	0.012	37%	0.366	C	S	.	.	S	Bend	trans	-85.7	102.5	170.8	-172.6	0	0	0	0	107.7	P300 K304 P357 L360 F367 V368	P300-V363 HydrophobicContact CB-CG2 3.78Å; K304-V363 HydrophobicContact CB-CG1 4.39Å; K304-V363 HydrophobicContact CD-CB 3.82Å; K304-V363 HydrophobicContact CD-CG1 3.78Å; K304-V363 HydrophobicContact CG-CB 4.49Å; K304-V363 HydrophobicContact CG-CG1 4.34Å; K304-V363 PolarHBondContact NZ-O 3.32Å; P357-V363 HydrophobicContact CG-CB 4.33Å; P357-V363 HydrophobicContact CG-CG2 3.38Å; L360-V363 PolarHBondContact O-N 3.13Å; V363-F367 HydrophobicContact CG1-CD1 3.95Å; V363-V368 HydrophobicContact CG1-CG2 3.79Å
364	S	97.3	Very high	97.7	Very high	64 Å²	64	76.2 Å²	76.2	45%	0.448	38%	0.382	S	S	.	.			trans	-72.7	149.1	179.6	68.2	0	0	0	0	111.9	Q362 R366 F367 V368	Q362-S364 PolarHBondContact O-N 3.3Å; S364-R366 PolarHBondContact O-N 3.14Å; S364-F367 WeakPolarHBondContact O-CB 3.33Å; S364-F367 PolarHBondContact O-N 2.6Å; S364-F367 WeakPolarHBondContact OG-CB 3.37Å; S364-F367 PolarHBondContact OG-N 3.41Å; S364-V368 PolarHBondContact O-N 2.88Å; S364-V368 VanDerWaalsContact O-N 3.14Å
365	D	96.7	Very high	97.6	Very high	119 Å²	119	69.3 Å²	69.3	64%	0.636	36%	0.359	S	S	*	.	H	α-helix	trans	-58.9	-37.8	176.3	-64.8	-24	0	0	0	111.5	F367 V368 D369	D365-F367 VanDerWaalsContact C-N 3.34Å; D365-F367 PolarHBondContact O-N 3.49Å; D365-V368 CarbonylContact O-C 3.31Å; D365-V368 WeakPolarHBondContact O-CA 3.43Å; D365-V368 WeakPolarHBondContact O-CB 3.08Å; D365-V368 PolarHBondContact O-N 3.42Å; D365-V368 VanDerWaalsContact O-N 3.09Å; D365-D369 PolarHBondContact O-N 3.31Å
366	R	97.8	Very high	97.6	Very high	186 Å²	186	70 Å²	70	70%	0.702	38%	0.376	S	S	*	.	H	α-helix	trans	-58.2	-43.4	173.6	-179	179.3	175.2	178.6	2.1	112.4	S364 V368 D369 D370	S364-R366 PolarHBondContact O-N 3.14Å; R366-V368 VanDerWaalsContact C-N 3.28Å; R366-V368 PolarHBondContact O-N 2.95Å; R366-D369 WeakPolarHBondContact O-CB 3.36Å; R366-D369 PolarHBondContact O-N 2.97Å; R366-D370 VanDerWaalsContact O-CG 3.23Å; R366-D370 PolarHBondContact O-N 3.34Å
367	F	97.4	Very high	97.4	Very high	87 Å²	87	69.6 Å²	69.6	38%	0.382	38%	0.382	S	S	.	.	H	α-helix	trans	-63.2	-39.1	176.5	174.6	-98.2	0	0	0	111.1	T301 V363 S364 D365 D370 C371	T301-F367 HydrophobicContact CG2-CE1 3.66Å; T301-F367 HydrophobicContact CG2-CZ 4.35Å; V363-F367 HydrophobicContact CG1-CD1 3.95Å; S364-F367 WeakPolarHBondContact O-CB 3.33Å; S364-F367 PolarHBondContact O-N 2.6Å; S364-F367 WeakPolarHBondContact OG-CB 3.37Å; S364-F367 PolarHBondContact OG-N 3.41Å; D365-F367 VanDerWaalsContact C-N 3.34Å; D365-F367 PolarHBondContact O-N 3.49Å; F367-D370 PolarHBondContact O-N 2.91Å; F367-C371 PolarHBondContact O-N 3.44Å; F367-C371 PolarHBondContact O-SG 3.33Å; F367-C371 VanDerWaalsContact O-SG 3.36Å
368	V	98.3	Very high	97.3	Very high	7 Å²	7	75.5 Å²	75.5	4%	0.042	41%	0.405	C	S	.	.	H	α-helix	trans	-64.5	-43.4	173	-174.2	0	0	0	0	110.5	K304 V305 R308 V363 S364 D365 R366 D370 C371 F372	K304-V368 HydrophobicContact CB-CG2 3.89Å; K304-V368 HydrophobicContact CD-CG2 4.19Å; V305-V368 HydrophobicContact CG2-CG1 4.44Å; R308-V368 HydrophobicContact CB-CG1 4.41Å; V363-V368 HydrophobicContact CG1-CG2 3.79Å; S364-V368 PolarHBondContact O-N 2.88Å; S364-V368 VanDerWaalsContact O-N 3.14Å; D365-V368 CarbonylContact O-C 3.31Å; D365-V368 WeakPolarHBondContact O-CA 3.43Å; D365-V368 WeakPolarHBondContact O-CB 3.08Å; D365-V368 PolarHBondContact O-N 3.42Å; D365-V368 VanDerWaalsContact O-N 3.09Å; R366-V368 VanDerWaalsContact C-N 3.28Å; R366-V368 PolarHBondContact O-N 2.95Å; V368-D370 VanDerWaalsContact C-N 3.32Å; V368-D370 PolarHBondContact O-N 2.79Å; V368-C371 WeakPolarHBondContact O-CB 3.49Å; V368-C371 PolarHBondContact O-N 3.08Å; V368-F372 HydrophobicContact CG1-CD2 4.37Å; V368-F372 HydrophobicContact CG1-CE2 3.97Å; V368-F372 WeakPolarHBondContact O-CD2 3.12Å
369	D	98.1	Very high	97.3	Very high	77 Å²	77	72 Å²	72	41%	0.412	38%	0.381	S	S	.	.	H	α-helix	trans	-55.4	-46.7	174.9	-71.5	-44.8	0	0	0	112	R308 D365 R366 C371 F372 A373	R308-D369 IonicContact CZ-OD1 3.85Å; R308-D369 IonicContact NH1-OD1 3.97Å; R308-D369 PolarHBondContact NH1-OD1 2.97Å; R308-D369 IonicContact NH2-OD1 2.67Å; R308-D369 PolarHBondContact NH2-OD1 3.36Å; D365-D369 PolarHBondContact O-N 3.31Å; R366-D369 WeakPolarHBondContact O-CB 3.36Å; R366-D369 PolarHBondContact O-N 2.97Å; D369-C371 PolarHBondContact O-N 2.94Å; D369-F372 PolarHBondContact O-N 3.27Å; D369-A373 PolarHBondContact O-N 3.49Å
370	D	97.9	Very high	97.4	Very high	91 Å²	91	70.7 Å²	70.7	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-30.1	-178.9	-68.8	-23.2	0	0	0	112	R366 F367 V368 F372 A373	R366-D370 VanDerWaalsContact O-CG 3.23Å; R366-D370 PolarHBondContact O-N 3.34Å; F367-D370 PolarHBondContact O-N 2.91Å; V368-D370 VanDerWaalsContact C-N 3.32Å; V368-D370 PolarHBondContact O-N 2.79Å; D370-F372 VanDerWaalsContact C-N 3.3Å; D370-F372 PolarHBondContact O-N 3.44Å; D370-A373 WeakPolarHBondContact O-CB 3.28Å; D370-A373 PolarHBondContact O-N 3.19Å
371	C	98.1	Very high	97.2	Very high	12 Å²	12	77.7 Å²	77.7	8%	0.081	40%	0.396	C	S	.	.	H	α-helix	trans	-65.5	-31.3	173.4	-68.2	0	0	0	0	112.9	V305 L328 A331 F367 V368 D369	V305-C371 HydrophobicContact CG2-CB 4.46Å; L328-C371 HydrophobicContact CD2-CB 4.02Å; A331-C371 HydrophobicContact CB-CB 3.92Å; F367-C371 PolarHBondContact O-N 3.44Å; F367-C371 PolarHBondContact O-SG 3.33Å; F367-C371 VanDerWaalsContact O-SG 3.36Å; V368-C371 WeakPolarHBondContact O-CB 3.49Å; V368-C371 PolarHBondContact O-N 3.08Å; D369-C371 PolarHBondContact O-N 2.94Å
372	F	98.5	Very high	97	Very high	25 Å²	25	76.6 Å²	76.6	11%	0.11	39%	0.386	C	S	.	.	H	α-helix	trans	-90.4	-8	-177.5	-75.4	-108.5	0	0	0	113.1	V305 R308 Q309 M324 R327 L328 V368 D369 D370	V305-F372 HydrophobicContact CG1-CE2 4.31Å; R308-F372 HydrophobicContact CB-CE2 4.16Å; R308-F372 HydrophobicContact CB-CZ 3.8Å; R308-F372 VanDerWaalsContact CD-CE2 3.49Å; R308-F372 HydrophobicContact CG-CE1 3.97Å; R308-F372 HydrophobicContact CG-CE2 3.96Å; R308-F372 HydrophobicContact CG-CZ 3.59Å; Q309-F372 HydrophobicContact CB-CE1 4.49Å; Q309-F372 HydrophobicContact CB-CZ 4.19Å; M324-F372 HydrophobicContact CG-CD1 3.87Å; M324-F372 HydrophobicContact CG-CE1 3.93Å; M324-F372 HydrophobicContact SD-CD1 3.93Å; M324-F372 HydrophobicContact SD-CE1 3.58Å; M324-F372 VanDerWaalsContact SD-CE1 3.58Å; R327-F372 WeakPolarHBondContact CD-O 3.33Å; L328-F372 HydrophobicContact CD1-CE1 4.08Å; L328-F372 HydrophobicContact CD1-CE2 4.44Å; L328-F372 HydrophobicContact CD1-CZ 3.92Å; L328-F372 HydrophobicContact CD2-CD1 4.06Å; L328-F372 HydrophobicContact CD2-CD2 3.44Å; L328-F372 VanDerWaalsContact CD2-CD2 3.44Å; L328-F372 HydrophobicContact CD2-CE1 4.02Å; L328-F372 HydrophobicContact CD2-CE2 3.4Å; L328-F372 VanDerWaalsContact CD2-CE2 3.4Å; L328-F372 HydrophobicContact CD2-CG 3.78Å; L328-F372 HydrophobicContact CD2-CZ 3.7Å; L328-F372 HydrophobicContact CG-CE1 4.49Å; L328-F372 HydrophobicContact CG-CZ 4.4Å; V368-F372 HydrophobicContact CG1-CD2 4.37Å; V368-F372 HydrophobicContact CG1-CE2 3.97Å; V368-F372 WeakPolarHBondContact O-CD2 3.12Å; D369-F372 PolarHBondContact O-N 3.27Å; D370-F372 VanDerWaalsContact C-N 3.3Å; D370-F372 PolarHBondContact O-N 3.44Å
373	A	98	Very high	97	Very high	52 Å²	52	75 Å²	75	43%	0.43	38%	0.38	S	S	.	.	S	Bend	trans	-58.4	143.1	-178.1	0	0	0	0	0	112	R327 D369 D370	R327-A373 WeakPolarHBondContact CD-O 3.32Å; D369-A373 PolarHBondContact O-N 3.49Å; D370-A373 WeakPolarHBondContact O-CB 3.28Å; D370-A373 PolarHBondContact O-N 3.19Å
374	S	97.6	Very high	96.9	Very high	72 Å²	72	78.8 Å²	78.8	50%	0.503	40%	0.399	S	S	.	.			trans	-60.2	140.2	176.4	172.9	0	0	0	0	111	G376 D379	S374-G376 PolarHBondContact O-N 3.33Å; S374-G376 PolarHBondContact OG-N 3.41Å; S374-D379 PolarHBondContact OG-OD2 3.49Å
375	L	97	Very high	96.9	Very high	45 Å²	45	79.6 Å²	79.6	24%	0.236	40%	0.396	C	S	.	.			trans	-85.7	12.3	171.7	-58.3	175.3	0	0	0	112.2	Y326 R327 Q330 E377 K378 D379	Y326-L375 HydrophobicContact CD1-CD1 4Å; Y326-L375 HydrophobicContact CE1-CD1 3.88Å; R327-L375 HydrophobicContact CG-CD1 4.42Å; R327-L375 HydrophobicContact CG-CG 4.14Å; Q330-L375 HydrophobicContact CB-CD1 3.99Å; Q330-L375 HydrophobicContact CG-CD1 3.73Å; L375-E377 PolarHBondContact O-N 3.05Å; L375-K378 HydrophobicContact CB-CB 3.97Å; L375-K378 WeakPolarHBondContact O-CB 3.05Å; L375-K378 PolarHBondContact O-N 2.78Å; L375-K378 VanDerWaalsContact O-N 3.12Å; L375-D379 PolarHBondContact N-OD1 2.78Å
376	G	97	Very high	96.9	Very high	43 Å²	43	77.3 Å²	77.3	44%	0.443	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	60.5	-125.5	-177.1	0	0	0	0	0	111.4	S374 K378 D379	S374-G376 PolarHBondContact O-N 3.33Å; S374-G376 PolarHBondContact OG-N 3.41Å; G376-K378 PolarHBondContact O-N 3.05Å; G376-K378 VanDerWaalsContact O-N 3.13Å; G376-D379 PolarHBondContact O-N 3.26Å
377	E	95.1	Very high	96.8	Very high	178 Å²	178	70.5 Å²	70.5	83%	0.832	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-62.5	-19.4	178.5	-63.5	-175	164.2	0	0	113.9	L375	L375-E377 PolarHBondContact O-N 3.05Å
378	K	95.9	Very high	96.8	Very high	146 Å²	146	69.4 Å²	69.4	64%	0.635	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-87.2	-3.8	-179	-62.2	-177.9	179.8	-178.2	0	114.1	R115 Y326 L375 G376	R115-K378 PolarHBondContact NH2-O 3.02Å; Y326-K378 WeakPolarHBondContact CE1-O 3.12Å; L375-K378 HydrophobicContact CB-CB 3.97Å; L375-K378 WeakPolarHBondContact O-CB 3.05Å; L375-K378 PolarHBondContact O-N 2.78Å; L375-K378 VanDerWaalsContact O-N 3.12Å; G376-K378 PolarHBondContact O-N 3.05Å; G376-K378 VanDerWaalsContact O-N 3.13Å
379	D	97.4	Very high	96.7	Very high	17 Å²	17	73.9 Å²	73.9	9%	0.091	38%	0.384	C	S	.	.	S	Bend	trans	-54	155.5	174	-88.6	-22.6	0	0	0	111.4	R115 V323 R327 S374 L375 G376	R115-D379 PolarHBondContact NH1-O 3.11Å; V323-D379 HydrophobicContact CG1-CB 4.35Å; R327-D379 VanDerWaalsContact CG-OD1 3.3Å; R327-D379 WeakPolarHBondContact CG-OD1 3.41Å; R327-D379 IonicContact CZ-OD1 3.26Å; R327-D379 IonicContact CZ-OD2 2.72Å; R327-D379 IonicContact NE-OD1 3.79Å; R327-D379 PolarHBondContact NE-OD1 3.27Å; R327-D379 IonicContact NE-OD2 3.49Å; R327-D379 PolarHBondContact NE-OD2 2.77Å; R327-D379 IonicContact NH2-OD1 2.75Å; R327-D379 IonicContact NH2-OD2 3.96Å; R327-D379 PolarHBondContact NH2-OD2 2.9Å; S374-D379 PolarHBondContact OG-OD2 3.49Å; L375-D379 PolarHBondContact N-OD1 2.78Å; G376-D379 PolarHBondContact O-N 3.26Å
380	L	97.3	Very high	96.6	Very high	6 Å²	6	73.6 Å²	73.6	3%	0.031	38%	0.382	C	S	.	.			trans	-63.8	139.4	172.4	-177	64.6	0	0	0	109.7	R115 Y118 M119 L322 V323 Y326 F382	R115-L380 HydrophobicContact CG-CD1 3.68Å; Y118-L380 HydrophobicContact CD2-CD2 4.23Å; M119-L380 HydrophobicContact CG-CD1 3.96Å; L322-L380 HydrophobicContact CB-CD2 4.1Å; V323-L380 HydrophobicContact CG2-CB 4.26Å; Y326-L380 HydrophobicContact CD1-CB 4.03Å; Y326-L380 HydrophobicContact CG-CB 3.86Å; L380-F382 HydrophobicContact CD2-CE1 4.12Å; L380-F382 HydrophobicContact CD2-CE2 3.78Å; L380-F382 HydrophobicContact CD2-CZ 3.37Å; L380-F382 HydrophobicContact CG-CE2 3.94Å; L380-F382 HydrophobicContact CG-CZ 3.91Å
381	R	94.5	Very high	96.5	Very high	168 Å²	168	72.2 Å²	72.2	63%	0.634	37%	0.373	S	S	*	.			trans	-135.1	148	177.2	-60.5	-178.6	-176.4	-177.4	-1.2	108.1
382	F	91.1	Very high	96.3	Very high	102 Å²	102	77.6 Å²	77.6	45%	0.447	40%	0.399	S	S	.	.			trans	-115.3	0	-176.3	-65	-86.7	0	0	0	111.1	M119 H122 Q319 L322 V323 L380	M119-F382 HydrophobicContact CG-CD1 4.47Å; M119-F382 HydrophobicContact CG-CE1 4.41Å; H122-F382 HydrophobicContact CB-CD1 3.62Å; H122-F382 HydrophobicContact CB-CE1 3.15Å; H122-F382 HydrophobicContact CB-CZ 3.95Å; H122-F382 AromaticContact CG-CD1 3.43Å; H122-F382 VanDerWaalsContact CG-CD1 3.43Å; H122-F382 AromaticContact CG-CE1 3.45Å; H122-F382 VanDerWaalsContact CG-CE1 3.45Å; H122-F382 AromaticContact ND1-CD1 3.5Å; Q319-F382 HydrophobicContact CB-CE2 4.42Å; Q319-F382 HydrophobicContact CG-CD2 3.26Å; Q319-F382 HydrophobicContact CG-CE2 3.42Å; Q319-F382 VanDerWaalsContact CG-CE2 3.42Å; Q319-F382 HydrophobicContact CG-CG 3.99Å; Q319-F382 HydrophobicContact CG-CZ 4.28Å; L322-F382 HydrophobicContact CB-CE2 4.44Å; L322-F382 HydrophobicContact CB-CZ 3.76Å; L322-F382 HydrophobicContact CD1-CE1 4.37Å; L322-F382 HydrophobicContact CD1-CZ 4.02Å; V323-F382 HydrophobicContact CG2-CE2 3.96Å; L380-F382 HydrophobicContact CD2-CE1 4.12Å; L380-F382 HydrophobicContact CD2-CE2 3.78Å; L380-F382 HydrophobicContact CD2-CZ 3.37Å; L380-F382 HydrophobicContact CG-CE2 3.94Å; L380-F382 HydrophobicContact CG-CZ 3.91Å

Retrieved 382 of 382 residues in 79.6 ms (Link to these results)

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