A0A087XDC4_POEFO Loading...

3-hydroxyisobutyrate dehydrogenase

AlphaFold DB , UniProt , Accession A0A087XDC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 285 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	32.8	Very low	245 Å²	245	145.9 Å²	145.9	100%	1.207	86%	0.855	S	S	*	*				0	89.1	0	-86.3	165.7	119.8	0	0	107.1
2	A	31.9	Very low	33.3	Very low	94 Å²	94	145.2 Å²	145.2	78%	0.777	85%	0.853	S	S	*	*				76.3	105.4	96	0	0	0	0	0	111.2
3	A	33.9	Very low	33	Very low	96 Å²	96	140 Å²	140	79%	0.793	85%	0.849	S	S	*	*				83.7	147.6	92.9	0	0	0	0	0	111.3
4	V	33.2	Very low	33.1	Very low	132 Å²	132	144.1 Å²	144.1	80%	0.8	84%	0.842	S	S	*	*			cis	-171.5	159.2	0.2	136.3	0	0	0	0	106.1
5	L	38.3	Very low	32.9	Very low	153 Å²	153	142.3 Å²	142.3	80%	0.801	84%	0.838	S	S	*	*			trans	-47.9	155.2	173	-68.8	133.2	0	0	0	118.3
6	R	34.1	Very low	33	Very low	251 Å²	251	144.5 Å²	144.5	95%	0.947	83%	0.828	S	S	*	*			trans	173.8	133.9	139.4	-91.8	162.9	-163.7	-126.3	6.4	106.3
7	G	29.6	Very low	33	Very low	73 Å²	73	147.1 Å²	147.1	75%	0.753	83%	0.827	S	S	*	*			cis	121.9	106.4	18.8	0	0	0	0	0	109.3
8	S	31.8	Very low	33.1	Very low	126 Å²	126	147.5 Å²	147.5	88%	0.881	82%	0.821	S	S	*	*			trans	173.3	122	143.4	-93.8	0	0	0	0	115.8
9	L	30.1	Very low	33.3	Very low	157 Å²	157	145.8 Å²	145.8	82%	0.822	82%	0.815	S	S	*	*			trans	14	141.4	148.7	-89.4	77.1	0	0	0	125.3
10	C	28.8	Very low	33.3	Very low	108 Å²	108	145.7 Å²	145.7	73%	0.73	81%	0.812	S	S	*	*			trans	74.4	109.8	136.7	-85.2	0	0	0	0	120.7
11	L	32.7	Very low	33.5	Very low	170 Å²	170	145.9 Å²	145.9	89%	0.89	81%	0.81	S	S	*	*				-176.2	131.8	94.1	-101.9	147.6	0	0	0	111.3	G13	L11-G13 PolarHBondContact O-N 3.48Å
12	V	39	Very low	33.5	Very low	137 Å²	137	138 Å²	138	83%	0.83	78%	0.784	S	S	*	*			trans	-70.2	119.9	174.9	175	0	0	0	0	108.9
13	G	29.7	Very low	33.5	Very low	78 Å²	78	138.3 Å²	138.3	80%	0.804	78%	0.779	S	S	*	*			trans	-135.6	76	175.7	0	0	0	0	0	110.8	L11 C15	L11-G13 PolarHBondContact O-N 3.48Å; G13-C15 PolarHBondContact O-N 3.32Å
14	R	34.5	Very low	33.7	Very low	198 Å²	198	139.4 Å²	139.4	75%	0.747	78%	0.776	S	S	*	*			trans	-78.3	102.5	-179.3	-159.6	-178.7	-158.6	-170.6	7.1	109.1
15	C	30.2	Very low	34	Very low	117 Å²	117	141.6 Å²	141.6	79%	0.791	78%	0.775	S	S	*	*			trans	-106.5	89.5	168.9	-152.6	0	0	0	0	109.5	G13 K17	G13-C15 PolarHBondContact O-N 3.32Å; C15-K17 PolarHBondContact O-N 3.4Å
16	R	34.1	Very low	34.3	Very low	177 Å²	177	140.1 Å²	140.1	67%	0.668	77%	0.773	S	S	*	*			trans	-70.9	111.7	166.1	-84.8	179.4	170.4	177	-4.8	107.7	H18	R16-H18 PolarHBondContact O-N 3.35Å
17	K	33.7	Very low	35.4	Very low	189 Å²	189	133.5 Å²	133.5	82%	0.822	75%	0.748	S	S	*	*			trans	-79.8	106.9	159.7	-72	-174.1	177.3	-177.5	0	107.1	C15 V19	C15-K17 PolarHBondContact O-N 3.4Å; K17-V19 PolarHBondContact O-N 3.26Å
18	H	33.6	Very low	35.9	Very low	154 Å²	154	135.4 Å²	135.4	71%	0.713	75%	0.749	S	S	*	*			trans	-63.8	111.9	163.3	-89.7	-65.9	0	0	0	107.7	R16	R16-H18 PolarHBondContact O-N 3.35Å
19	V	37.2	Very low	36.8	Very low	116 Å²	116	136.5 Å²	136.5	70%	0.703	74%	0.742	S	S	*	*			trans	-95	102.3	159	-179.3	0	0	0	0	104.4	K17 I21	K17-V19 PolarHBondContact O-N 3.26Å; V19-I21 VanDerWaalsContact C-N 3.29Å; V19-I21 HydrophobicContact CG1-CG1 4.24Å; V19-I21 PolarHBondContact O-N 3.09Å
20	D	32.9	Very low	37.5	Very low	143 Å²	143	134.1 Å²	134.1	77%	0.765	75%	0.745	S	S	*	*			trans	-69.6	92.7	170.4	-73.5	-38	0	0	0	107.8	A22	D20-A22 PolarHBondContact O-N 2.97Å; D20-A22 VanDerWaalsContact O-N 3.09Å
21	I	37.9	Very low	38.6	Very low	149 Å²	149	133.6 Å²	133.6	76%	0.764	74%	0.742	S	S	*	*			trans	-69.4	101.2	164.8	-68.2	170.3	0	0	0	105.6	V19 C23	V19-I21 VanDerWaalsContact C-N 3.29Å; V19-I21 HydrophobicContact CG1-CG1 4.24Å; V19-I21 PolarHBondContact O-N 3.09Å; I21-C23 PolarHBondContact O-N 3.11Å; I21-C23 VanDerWaalsContact O-N 3.08Å
22	A	36.1	Very low	40.1	Very low	80 Å²	80	130.9 Å²	130.9	66%	0.661	72%	0.723	S	S	*	*			trans	-53.4	116	165.2	0	0	0	0	0	107.9	D20 V24	D20-A22 PolarHBondContact O-N 2.97Å; D20-A22 VanDerWaalsContact O-N 3.09Å; A22-V24 VanDerWaalsContact C-N 3.34Å; A22-V24 PolarHBondContact O-N 2.93Å
23	C	32.2	Very low	42.4	Very low	100 Å²	100	127.2 Å²	127.2	68%	0.676	70%	0.701	S	S	*	*			trans	-67.1	94.3	175.4	-171.6	0	0	0	0	108.1	I21 F25	I21-C23 PolarHBondContact O-N 3.11Å; I21-C23 VanDerWaalsContact O-N 3.08Å; C23-F25 PolarHBondContact O-N 3.08Å; C23-F25 VanDerWaalsContact O-N 3.11Å
24	V	37.5	Very low	45.3	Very low	119 Å²	119	127.4 Å²	127.4	72%	0.721	68%	0.681	S	S	*	*			trans	-71.3	99.7	168.6	179.5	0	0	0	0	106.6	A22 T26	A22-V24 VanDerWaalsContact C-N 3.34Å; A22-V24 PolarHBondContact O-N 2.93Å; V24-T26 VanDerWaalsContact C-N 3.28Å; V24-T26 PolarHBondContact O-N 2.91Å
25	F	39.1	Very low	48.3	Very low	178 Å²	178	118 Å²	118	78%	0.781	65%	0.646	S	S	*	*			trans	-69.2	89.8	169.1	-96.6	-90.6	0	0	0	108.5	C23 R27	C23-F25 PolarHBondContact O-N 3.08Å; C23-F25 VanDerWaalsContact O-N 3.11Å; F25-R27 PolarHBondContact O-N 3.12Å; F25-R27 VanDerWaalsContact O-N 3.12Å
26	T	44.7	Very low	51.6	Low	123 Å²	123	112.4 Å²	112.4	76%	0.755	61%	0.608	S	S	*	*			trans	-59.8	113	161.9	43.8	0	0	0	0	107.9	V24 S28	V24-T26 VanDerWaalsContact C-N 3.28Å; V24-T26 PolarHBondContact O-N 2.91Å; T26-S28 PolarHBondContact O-N 3.17Å
27	R	58.4	Low	54.6	Low	112 Å²	112	104 Å²	104	42%	0.423	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-59.4	119.6	178.3	-63.1	-175	-165.5	-132	6	109	F25 M29 G119 E174	F25-R27 PolarHBondContact O-N 3.12Å; F25-R27 VanDerWaalsContact O-N 3.12Å; R27-M29 PolarHBondContact O-N 3.38Å; R27-G119 PolarHBondContact NH1-O 3.45Å; R27-G119 PolarHBondContact NH2-O 3.32Å; R27-E174 IonicContact NE-OE2 3.03Å; R27-E174 IonicContact NH2-OE2 3.44Å
28	S	39.6	Very low	57.8	Low	113 Å²	113	95.2 Å²	95.2	79%	0.79	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-61.4	129.5	174.9	-174	0	0	0	0	110.1	T26	T26-S28 PolarHBondContact O-N 3.17Å
29	M	51.8	Low	60.8	Low	149 Å²	149	88.1 Å²	88.1	73%	0.734	51%	0.507	S	S	*	.	S	Bend	trans	-67.9	149	160.3	-70.6	-134.6	-82.9	0	0	109.3	R27	R27-M29 PolarHBondContact O-N 3.38Å
30	A	44.8	Very low	63.8	Low	106 Å²	106	82.7 Å²	82.7	88%	0.876	47%	0.474	S	S	*	.			trans	90.3	60.2	173.5	0	0	0	0	0	118.5
31	S	50.5	Low	66.7	Low	97 Å²	97	77.7 Å²	77.7	68%	0.678	46%	0.456	S	S	*	.			trans	-149	127.1	130.4	174.6	0	0	0	0	105.9	T33	S31-T33 PolarHBondContact O-N 2.89Å
32	K	65.6	Low	69.3	Low	113 Å²	113	77.1 Å²	77.1	49%	0.491	46%	0.455	S	S	.	.			trans	-73.9	80.2	177.7	-68.5	-173.3	-173	172.4	0	108.4	H54 G55 Y56 P57	K32-H54 PolarHBondContact NZ-O 3Å; K32-G55 WeakPolarHBondContact CD-O 3.38Å; K32-Y56 HydrophobicContact CB-CD1 4.21Å; K32-Y56 HydrophobicContact CG-CD1 4.31Å; K32-Y56 HydrophobicContact CG-CE1 4.24Å; K32-P57 VanDerWaalsContact O-CD 3.29Å; K32-P57 WeakPolarHBondContact O-CD 3.45Å
33	T	85.4	Confident	72.2	Confident	60 Å²	60	75 Å²	75	37%	0.368	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-60.4	153.2	173.5	54.2	0	0	0	0	110	S31 V35	S31-T33 PolarHBondContact O-N 2.89Å; T33-V35 PolarHBondContact O-N 2.84Å
34	H	90.8	Very high	75.3	Confident	83 Å²	83	70.3 Å²	70.3	38%	0.384	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-54	132.4	175.9	-68	90.6	0	0	0	111.4	P57 I59 A89	H34-P57 CarbonylContact C-O 3.36Å; H34-P57 WeakPolarHBondContact CA-O 3.35Å; H34-P57 VanDerWaalsContact CD2-CB 3.48Å; H34-P57 WeakPolarHBondContact CD2-CB 3.23Å; H34-I59 HydrophobicContact CB-CD1 3.7Å; H34-I59 HydrophobicContact CB-CG1 4.01Å; H34-A89 HydrophobicContact CB-CB 4.32Å
35	V	98.2	Very high	78.2	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	125.1	171.7	-178.6	0	0	0	0	108.1	T33 L51 Y56 P57 V58 I59 R91 I93 L181	T33-V35 PolarHBondContact O-N 2.84Å; V35-L51 HydrophobicContact CG1-CD1 4.02Å; V35-Y56 HydrophobicContact CG2-CD1 3.68Å; V35-Y56 HydrophobicContact CG2-CE1 4.47Å; V35-Y56 HydrophobicContact CG2-CG 4.05Å; V35-P57 PolarHBondContact N-O 3.25Å; V35-V58 WeakPolarHBondContact O-CA 3.37Å; V35-I59 PolarHBondContact O-N 3.36Å; V35-R91 CarbonylContact C-O 3.5Å; V35-R91 WeakPolarHBondContact CA-O 3.39Å; V35-I93 HydrophobicContact CG1-CD1 4.07Å; V35-L181 HydrophobicContact CG1-CD2 4.49Å; V35-L181 HydrophobicContact CG2-CD2 3.67Å
36	G	98.8	Very high	81	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	139.6	173.3	0	0	0	0	0	111.1	I59 R91 I92 I93	G36-I59 CarbonylContact C-O 3.58Å; G36-I59 VanDerWaalsContact CA-O 3.27Å; G36-I59 WeakPolarHBondContact CA-O 3.44Å; G36-R91 PolarHBondContact N-O 3.04Å; G36-I92 CarbonylContact O-C 3.32Å; G36-I92 WeakPolarHBondContact O-CA 3.31Å; G36-I93 PolarHBondContact O-N 3.39Å
37	F	98.9	Very high	83.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	118.1	174.6	-149.1	-72.2	0	0	0	111.1	G39 L40 G44 M47 A48 L51 V58 I59 A60 T61 I93 M95 M185	F37-G39 WeakPolarHBondContact CD1-O 3.23Å; F37-G39 WeakPolarHBondContact CE1-O 3.41Å; F37-L40 HydrophobicContact CD1-CD2 3.88Å; F37-L40 HydrophobicContact CE1-CD2 4.39Å; F37-G44 WeakPolarHBondContact CE1-O 3.4Å; F37-M47 HydrophobicContact CE2-CB 3.97Å; F37-M47 HydrophobicContact CZ-CB 3.64Å; F37-M47 HydrophobicContact CZ-CE 4.13Å; F37-A48 HydrophobicContact CD1-CB 4.23Å; F37-A48 HydrophobicContact CD2-CB 3.96Å; F37-A48 HydrophobicContact CE1-CB 4.48Å; F37-A48 HydrophobicContact CE2-CB 4.22Å; F37-A48 HydrophobicContact CG-CB 3.96Å; F37-A48 HydrophobicContact CZ-CB 4.47Å; F37-L51 HydrophobicContact CD2-CD1 3.7Å; F37-L51 HydrophobicContact CE2-CD1 3.95Å; F37-V58 HydrophobicContact CB-CG1 4.08Å; F37-I59 PolarHBondContact N-O 2.63Å; F37-A60 HydrophobicContact CB-CB 4.24Å; F37-A60 WeakPolarHBondContact O-CA 3.44Å; F37-T61 PolarHBondContact O-N 3.3Å; F37-T61 VanDerWaalsContact O-N 3.1Å; F37-I93 CarbonylContact C-O 3.6Å; F37-I93 WeakPolarHBondContact CA-O 3.5Å; F37-I93 HydrophobicContact CD2-CB 4.01Å; F37-I93 HydrophobicContact CD2-CD1 4.41Å; F37-I93 HydrophobicContact CD2-CG2 4.18Å; F37-I93 HydrophobicContact CE2-CB 4.03Å; F37-I93 HydrophobicContact CE2-CD1 4.34Å; F37-I93 HydrophobicContact CE2-CG2 3.7Å; F37-I93 HydrophobicContact CZ-CG2 3.94Å; F37-M95 HydrophobicContact CE1-CB 4.01Å; F37-M95 HydrophobicContact CZ-CB 4.3Å; F37-M185 HydrophobicContact CE2-SD 4.14Å
38	V	98.9	Very high	85.5	Confident	5 Å²	5	46.4 Å²	46.4	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.2	179	-171.1	0	0	0	0	109.9	T61 P82 V85 I92 I93 T94 M95 L96 V105 I112	V38-T61 HydrophobicContact CB-CG2 4.39Å; V38-T61 HydrophobicContact CG1-CG2 3.9Å; V38-T61 HydrophobicContact CG2-CG2 4.1Å; V38-P82 HydrophobicContact CG1-CB 4.37Å; V38-P82 HydrophobicContact CG1-CG 4.01Å; V38-P82 HydrophobicContact CG2-CB 4.29Å; V38-V85 HydrophobicContact CG2-CB 4.43Å; V38-V85 HydrophobicContact CG2-CG1 4.37Å; V38-V85 HydrophobicContact CG2-CG2 4.24Å; V38-I92 HydrophobicContact CG2-CG2 4.31Å; V38-I93 PolarHBondContact N-O 2.95Å; V38-T94 HydrophobicContact CB-CG2 4.01Å; V38-T94 HydrophobicContact CG2-CG2 4.3Å; V38-T94 WeakPolarHBondContact O-CA 3.39Å; V38-M95 PolarHBondContact O-N 3.45Å; V38-L96 HydrophobicContact CG1-CD2 4.5Å; V38-V105 HydrophobicContact CB-CG1 4.29Å; V38-V105 HydrophobicContact CG1-CG1 3.74Å; V38-V105 HydrophobicContact CG1-CG2 4.18Å; V38-I112 HydrophobicContact CG2-CD1 4.36Å
39	G	98.6	Very high	88.3	Confident	4 Å²	4	44 Å²	44	4%	0.041	26%	0.256	C	S	.	.			trans	95.8	110.9	-176.6	0	0	0	0	0	112.3	F37 G44 T61 D62	F37-G39 WeakPolarHBondContact CD1-O 3.23Å; F37-G39 WeakPolarHBondContact CE1-O 3.41Å; G39-G44 WeakPolarHBondContact O-CA 3.45Å; G39-T61 PolarHBondContact N-O 3.1Å; G39-D62 WeakPolarHBondContact CA-OD2 3.1Å
40	L	98.3	Very high	90.5	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.016	22%	0.224	C	C	.	.			trans	-124.4	35.3	-172.2	-64.2	172.1	0	0	0	111.8	F37 N45 A48 A60 D62 C68 V71	F37-L40 HydrophobicContact CD1-CD2 3.88Å; F37-L40 HydrophobicContact CE1-CD2 4.39Å; L40-N45 WeakPolarHBondContact O-CB 3.4Å; L40-A48 HydrophobicContact CD2-CB 3.77Å; L40-A60 HydrophobicContact CD1-CB 3.99Å; L40-A60 HydrophobicContact CD2-CB 4.49Å; L40-D62 HydrophobicContact CB-CB 4.21Å; L40-D62 HydrophobicContact CD1-CB 4.41Å; L40-D62 HydrophobicContact CG-CB 4.46Å; L40-D62 PolarHBondContact N-OD2 3.07Å; L40-C68 HydrophobicContact CD1-CB 4.24Å; L40-V71 HydrophobicContact CD1-CG2 3.6Å; L40-V71 HydrophobicContact CD2-CG1 4.34Å; L40-V71 HydrophobicContact CD2-CG2 4.26Å
41	G	95.1	Very high	93	Very high	38 Å²	38	32.4 Å²	32.4	39%	0.392	18%	0.182	S	C	.	.	S	Bend	trans	-72.1	-161.4	170.6	0	0	0	0	0	113.2	M43 G44 N45	G41-M43 PolarHBondContact O-N 3.31Å; G41-G44 PolarHBondContact O-N 3.15Å; G41-G44 VanDerWaalsContact O-N 3.14Å; G41-N45 WeakPolarHBondContact O-CB 3.48Å; G41-N45 PolarHBondContact O-N 3.03Å
42	N	92.4	Very high	95.3	Very high	137 Å²	137	29.2 Å²	29.2	73%	0.733	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.6	-175.7	-68.2	-17.7	0	0	0	115.5	P46 V156	N42-P46 WeakPolarHBondContact O-CD 3.42Å; N42-P46 VanDerWaalsContact O-CG 3.32Å; N42-P46 WeakPolarHBondContact O-CG 3.44Å; N42-V156 HydrophobicContact CB-CG2 4.04Å
43	M	95.7	Very high	96.8	Very high	36 Å²	36	32 Å²	32	18%	0.177	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-44.4	176.2	-62.5	-63.3	-66.2	0	0	112.1	G41 N45 P46 M47 M95 V152 V156 A159 L164	G41-M43 PolarHBondContact O-N 3.31Å; M43-N45 PolarHBondContact O-N 3.02Å; M43-P46 WeakPolarHBondContact O-CD 3.45Å; M43-P46 WeakPolarHBondContact O-CG 3.21Å; M43-M47 HydrophobicContact CB-SD 4.31Å; M43-M47 WeakPolarHBondContact O-CB 3.26Å; M43-M47 WeakPolarHBondContact O-CG 3.33Å; M43-M47 PolarHBondContact O-N 2.78Å; M43-M47 VanDerWaalsContact O-SD 3.37Å; M43-M95 HydrophobicContact CB-CE 3.47Å; M43-M95 VanDerWaalsContact CB-CE 3.47Å; M43-M95 HydrophobicContact CB-CG 4.08Å; M43-M95 HydrophobicContact CG-CE 3.84Å; M43-V152 HydrophobicContact CE-CG2 3.8Å; M43-V156 HydrophobicContact SD-CG2 4.02Å; M43-A159 HydrophobicContact CE-CB 3.9Å; M43-A159 HydrophobicContact SD-CB 4.24Å; M43-L164 HydrophobicContact CE-CD1 4.47Å; M43-L164 HydrophobicContact CE-CD2 3.76Å
44	G	98	Very high	97.4	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-65	-41	-174.2	0	0	0	0	0	113.6	F37 G39 G41 M47 A48	F37-G44 WeakPolarHBondContact CE1-O 3.4Å; G39-G44 WeakPolarHBondContact O-CA 3.45Å; G41-G44 PolarHBondContact O-N 3.15Å; G41-G44 VanDerWaalsContact O-N 3.14Å; G44-M47 WeakPolarHBondContact O-CB 3.32Å; G44-M47 PolarHBondContact O-N 3.37Å; G44-A48 WeakPolarHBondContact O-CB 3.39Å; G44-A48 PolarHBondContact O-N 3.19Å
45	N	98	Very high	97.6	Very high	16 Å²	16	31.1 Å²	31.1	9%	0.086	17%	0.172	C	C	.	.	H	α-helix	trans	-59.1	-56.4	179.4	-179.8	-63.5	0	0	0	112.9	L40 G41 M43 M47 A48 K49 E70	L40-N45 WeakPolarHBondContact O-CB 3.4Å; G41-N45 WeakPolarHBondContact O-CB 3.48Å; G41-N45 PolarHBondContact O-N 3.03Å; M43-N45 PolarHBondContact O-N 3.02Å; N45-M47 VanDerWaalsContact C-N 3.27Å; N45-M47 PolarHBondContact O-N 3.41Å; N45-A48 PolarHBondContact O-N 2.71Å; N45-K49 WeakPolarHBondContact O-CG 3.38Å; N45-K49 PolarHBondContact O-N 2.79Å; N45-K49 WeakPolarHBondContact OD1-CD 3.27Å; N45-K49 WeakPolarHBondContact OD1-CE 3.25Å; N45-K49 PolarHBondContact OD1-NZ 3.43Å; N45-E70 PolarHBondContact ND2-OE2 3.08Å; N45-E70 VanDerWaalsContact ND2-OE2 3.12Å; N45-E70 PolarHBondContact OD1-OE2 3Å
46	P	98.1	Very high	97.6	Very high	13 Å²	13	32 Å²	32	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-29.8	177.2	21.8	-31.6	0	0	0	113.6	N42 M43 N50 A159	N42-P46 WeakPolarHBondContact O-CD 3.42Å; N42-P46 VanDerWaalsContact O-CG 3.32Å; N42-P46 WeakPolarHBondContact O-CG 3.44Å; M43-P46 WeakPolarHBondContact O-CD 3.45Å; M43-P46 WeakPolarHBondContact O-CG 3.21Å; P46-N50 PolarHBondContact O-N 2.84Å; P46-N50 VanDerWaalsContact O-N 3.09Å; P46-N50 PolarHBondContact O-ND2 2.91Å; P46-A159 HydrophobicContact CB-CB 4.19Å; P46-A159 HydrophobicContact CG-CB 3.76Å
47	M	98.7	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-49	173.5	-75.2	168.3	65.5	0	0	111.7	F37 M43 G44 N45 K49 N50 L51 M95 V152 A159 L164 F166 M185	F37-M47 HydrophobicContact CE2-CB 3.97Å; F37-M47 HydrophobicContact CZ-CB 3.64Å; F37-M47 HydrophobicContact CZ-CE 4.13Å; M43-M47 HydrophobicContact CB-SD 4.31Å; M43-M47 WeakPolarHBondContact O-CB 3.26Å; M43-M47 WeakPolarHBondContact O-CG 3.33Å; M43-M47 PolarHBondContact O-N 2.78Å; M43-M47 VanDerWaalsContact O-SD 3.37Å; G44-M47 WeakPolarHBondContact O-CB 3.32Å; G44-M47 PolarHBondContact O-N 3.37Å; N45-M47 VanDerWaalsContact C-N 3.27Å; N45-M47 PolarHBondContact O-N 3.41Å; M47-K49 VanDerWaalsContact C-N 3.35Å; M47-K49 PolarHBondContact O-N 3.05Å; M47-N50 WeakPolarHBondContact O-CB 3.2Å; M47-N50 PolarHBondContact O-N 3.2Å; M47-N50 VanDerWaalsContact O-N 3.15Å; M47-L51 PolarHBondContact O-N 3.48Å; M47-M95 HydrophobicContact CE-SD 4.36Å; M47-M95 HydrophobicContact SD-CG 4.14Å; M47-M95 HydrophobicContact SD-SD 4.25Å; M47-V152 HydrophobicContact CE-CG1 4.48Å; M47-A159 HydrophobicContact CG-CB 4.47Å; M47-L164 HydrophobicContact CG-CD1 3.76Å; M47-L164 HydrophobicContact SD-CD1 3.92Å; M47-F166 HydrophobicContact CE-CE1 4.1Å; M47-F166 HydrophobicContact CE-CZ 4.05Å; M47-M185 HydrophobicContact CB-CG 4.43Å; M47-M185 HydrophobicContact CB-SD 3.71Å; M47-M185 HydrophobicContact CE-SD 4.12Å; M47-M185 HydrophobicContact CG-SD 4.26Å
48	A	98.6	Very high	97.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-40.2	176.6	0	0	0	0	0	112.3	F37 L40 G44 N45 N50 L51 L52 V71	F37-A48 HydrophobicContact CD1-CB 4.23Å; F37-A48 HydrophobicContact CD2-CB 3.96Å; F37-A48 HydrophobicContact CE1-CB 4.48Å; F37-A48 HydrophobicContact CE2-CB 4.22Å; F37-A48 HydrophobicContact CG-CB 3.96Å; F37-A48 HydrophobicContact CZ-CB 4.47Å; L40-A48 HydrophobicContact CD2-CB 3.77Å; G44-A48 WeakPolarHBondContact O-CB 3.39Å; G44-A48 PolarHBondContact O-N 3.19Å; N45-A48 PolarHBondContact O-N 2.71Å; A48-N50 VanDerWaalsContact C-N 3.29Å; A48-N50 PolarHBondContact O-N 2.94Å; A48-L51 WeakPolarHBondContact O-CB 3.33Å; A48-L51 PolarHBondContact O-N 3.16Å; A48-L51 VanDerWaalsContact O-N 3.16Å; A48-L52 PolarHBondContact O-N 3.39Å; A48-L52 VanDerWaalsContact O-N 3.1Å; A48-V71 HydrophobicContact CB-CG1 4Å
49	K	98.5	Very high	97.5	Very high	62 Å²	62	34.4 Å²	34.4	27%	0.27	19%	0.19	S	C	.	.	H	α-helix	trans	-59.1	-38.8	173.2	-71	180	175.6	159.3	0	112.7	N45 M47 L51 L52 K53 E70 V71 L74	N45-K49 WeakPolarHBondContact O-CG 3.38Å; N45-K49 PolarHBondContact O-N 2.79Å; N45-K49 WeakPolarHBondContact OD1-CD 3.27Å; N45-K49 WeakPolarHBondContact OD1-CE 3.25Å; N45-K49 PolarHBondContact OD1-NZ 3.43Å; M47-K49 VanDerWaalsContact C-N 3.35Å; M47-K49 PolarHBondContact O-N 3.05Å; K49-L51 VanDerWaalsContact C-N 3.34Å; K49-L52 PolarHBondContact O-N 3.36Å; K49-K53 WeakPolarHBondContact O-CB 3.47Å; K49-K53 PolarHBondContact O-N 3.43Å; K49-E70 IonicContact NZ-OE2 2.57Å; K49-E70 PolarHBondContact NZ-OE2 3.26Å; K49-V71 HydrophobicContact CG-CG1 3.97Å; K49-L74 HydrophobicContact CB-CD1 4.41Å; K49-L74 HydrophobicContact CD-CD1 3.91Å; K49-L74 HydrophobicContact CG-CD1 3.65Å
50	N	98.6	Very high	97.5	Very high	12 Å²	12	34.2 Å²	34.2	6%	0.064	19%	0.189	C	C	.	.	H	α-helix	trans	-67.2	-34.8	177	-84.6	-38.3	0	0	0	112.6	P46 M47 A48 K53 H54 A159 G162 C184 M185	P46-N50 PolarHBondContact O-N 2.84Å; P46-N50 VanDerWaalsContact O-N 3.09Å; P46-N50 PolarHBondContact O-ND2 2.91Å; M47-N50 WeakPolarHBondContact O-CB 3.2Å; M47-N50 PolarHBondContact O-N 3.2Å; M47-N50 VanDerWaalsContact O-N 3.15Å; A48-N50 VanDerWaalsContact C-N 3.29Å; A48-N50 PolarHBondContact O-N 2.94Å; N50-K53 PolarHBondContact O-N 3.46Å; N50-H54 PolarHBondContact O-N 3.11Å; N50-H54 VanDerWaalsContact O-N 3.08Å; N50-H54 PolarHBondContact O-ND1 3.43Å; N50-A159 PolarHBondContact ND2-O 3.04Å; N50-G162 PolarHBondContact ND2-N 3.17Å; N50-C184 WeakPolarHBondContact CB-O 3.2Å; N50-M185 HydrophobicContact CB-CG 4.21Å
51	L	98.4	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-46.6	171.7	-66.8	168.5	0	0	0	111.7	V35 F37 M47 A48 K49 K53 H54 G55 Y56 V58 I93 L181 C184 M185	V35-L51 HydrophobicContact CG1-CD1 4.02Å; F37-L51 HydrophobicContact CD2-CD1 3.7Å; F37-L51 HydrophobicContact CE2-CD1 3.95Å; M47-L51 PolarHBondContact O-N 3.48Å; A48-L51 WeakPolarHBondContact O-CB 3.33Å; A48-L51 PolarHBondContact O-N 3.16Å; A48-L51 VanDerWaalsContact O-N 3.16Å; K49-L51 VanDerWaalsContact C-N 3.34Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.04Å; L51-H54 CarbonylContact O-C 3.1Å; L51-H54 PolarHBondContact O-N 3.46Å; L51-G55 PolarHBondContact O-N 2.93Å; L51-Y56 HydrophobicContact CD2-CD2 4.39Å; L51-Y56 PolarHBondContact O-N 2.9Å; L51-V58 HydrophobicContact CB-CG2 3.91Å; L51-I93 HydrophobicContact CD1-CD1 3.82Å; L51-L181 HydrophobicContact CD2-CD2 4.32Å; L51-C184 HydrophobicContact CD2-CB 4.02Å; L51-M185 HydrophobicContact CD1-SD 3.9Å; L51-M185 HydrophobicContact CD2-CE 4.31Å; L51-M185 HydrophobicContact CD2-CG 4.17Å; L51-M185 HydrophobicContact CD2-SD 4.11Å; L51-M185 HydrophobicContact CG-CG 4.06Å; L51-M185 HydrophobicContact CG-SD 3.8Å
52	L	97.9	Very high	97.7	Very high	31 Å²	31	33.9 Å²	33.9	16%	0.162	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-44.3	175	-71	169	0	0	0	111.8	A48 K49 H54 G55 V58 V71 L74 A76	A48-L52 PolarHBondContact O-N 3.39Å; A48-L52 VanDerWaalsContact O-N 3.1Å; K49-L52 PolarHBondContact O-N 3.36Å; L52-H54 VanDerWaalsContact C-N 3.27Å; L52-H54 PolarHBondContact O-N 3.3Å; L52-G55 VanDerWaalsContact O-CA 3.32Å; L52-G55 WeakPolarHBondContact O-CA 3.35Å; L52-G55 PolarHBondContact O-N 2.99Å; L52-V58 HydrophobicContact CD2-CB 3.85Å; L52-V58 HydrophobicContact CD2-CG2 3.79Å; L52-V58 HydrophobicContact CG-CB 4.18Å; L52-V58 HydrophobicContact CG-CG2 3.82Å; L52-V71 HydrophobicContact CD1-CB 4.45Å; L52-L74 HydrophobicContact CD1-CB 3.77Å; L52-A76 HydrophobicContact CD1-CB 4.26Å
53	K	97.3	Very high	97.9	Very high	171 Å²	171	33.2 Å²	33.2	74%	0.743	18%	0.179	S	C	*	.	H	α-helix	trans	-61.5	-34.4	177.6	-175.7	179.8	177.2	-176.6	0	112.7	K49 N50 L51 G55	K49-K53 WeakPolarHBondContact O-CB 3.47Å; K49-K53 PolarHBondContact O-N 3.43Å; N50-K53 PolarHBondContact O-N 3.46Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.04Å; K53-G55 PolarHBondContact O-N 3.26Å
54	H	97.1	Very high	98	Very high	86 Å²	86	37 Å²	37	40%	0.398	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	4.2	172.8	-70.4	84.9	0	0	0	112.7	K32 N50 L51 L52 Y56 C184	K32-H54 PolarHBondContact NZ-O 3Å; N50-H54 PolarHBondContact O-N 3.11Å; N50-H54 VanDerWaalsContact O-N 3.08Å; N50-H54 PolarHBondContact O-ND1 3.43Å; L51-H54 CarbonylContact O-C 3.1Å; L51-H54 PolarHBondContact O-N 3.46Å; L52-H54 VanDerWaalsContact C-N 3.27Å; L52-H54 PolarHBondContact O-N 3.3Å; H54-Y56 HydrophobicContact CB-CD2 4.28Å; H54-Y56 HydrophobicContact CB-CE2 4.5Å; H54-C184 HydrophobicContact CB-CB 4.15Å; H54-C184 PolarHBondContact CE1-O 3.15Å; H54-C184 PolarHBondContact ND1-O 3.4Å
55	G	96.1	Very high	97.8	Very high	39 Å²	39	41.6 Å²	41.6	40%	0.402	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	17.3	172.9	0	0	0	0	0	114.9	K32 L51 L52 K53	K32-G55 WeakPolarHBondContact CD-O 3.38Å; L51-G55 PolarHBondContact O-N 2.93Å; L52-G55 VanDerWaalsContact O-CA 3.32Å; L52-G55 WeakPolarHBondContact O-CA 3.35Å; L52-G55 PolarHBondContact O-N 2.99Å; K53-G55 PolarHBondContact O-N 3.26Å
56	Y	97.6	Very high	97.7	Very high	19 Å²	19	46 Å²	46	8%	0.075	24%	0.244	C	C	.	.			trans	-77.9	127.6	169.4	-73.3	-84.7	0	0	0	109.6	K32 V35 L51 H54 V58 E180 L181 C184	K32-Y56 HydrophobicContact CB-CD1 4.21Å; K32-Y56 HydrophobicContact CG-CD1 4.31Å; K32-Y56 HydrophobicContact CG-CE1 4.24Å; V35-Y56 HydrophobicContact CG2-CD1 3.68Å; V35-Y56 HydrophobicContact CG2-CE1 4.47Å; V35-Y56 HydrophobicContact CG2-CG 4.05Å; L51-Y56 HydrophobicContact CD2-CD2 4.39Å; L51-Y56 PolarHBondContact O-N 2.9Å; H54-Y56 HydrophobicContact CB-CD2 4.28Å; H54-Y56 HydrophobicContact CB-CE2 4.5Å; Y56-V58 PolarHBondContact O-N 3.33Å; Y56-E180 PolarHBondContact OH-OE1 3.27Å; Y56-L181 HydrophobicContact CD1-CD2 4.07Å; Y56-L181 HydrophobicContact CE1-CD2 3.74Å; Y56-L181 HydrophobicContact CE2-CD2 4.26Å; Y56-L181 HydrophobicContact CG-CD2 4.45Å; Y56-C184 VanDerWaalsContact CE2-SG 3.57Å
57	P	97.4	Very high	97.6	Very high	49 Å²	49	46.9 Å²	46.9	32%	0.318	25%	0.251	S	S	.	.			trans	-62	127.5	166.3	-19	32.2	0	0	0	109.4	K32 H34 V35	K32-P57 VanDerWaalsContact O-CD 3.29Å; K32-P57 WeakPolarHBondContact O-CD 3.45Å; H34-P57 CarbonylContact C-O 3.36Å; H34-P57 WeakPolarHBondContact CA-O 3.35Å; H34-P57 VanDerWaalsContact CD2-CB 3.48Å; H34-P57 WeakPolarHBondContact CD2-CB 3.23Å; V35-P57 PolarHBondContact N-O 3.25Å
58	V	98.5	Very high	97.5	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	132.7	-178.4	174.9	0	0	0	0	110.4	V35 F37 L51 L52 Y56 A60 A76 Q77	V35-V58 WeakPolarHBondContact O-CA 3.37Å; F37-V58 HydrophobicContact CB-CG1 4.08Å; L51-V58 HydrophobicContact CB-CG2 3.91Å; L52-V58 HydrophobicContact CD2-CB 3.85Å; L52-V58 HydrophobicContact CD2-CG2 3.79Å; L52-V58 HydrophobicContact CG-CB 4.18Å; L52-V58 HydrophobicContact CG-CG2 3.82Å; Y56-V58 PolarHBondContact O-N 3.33Å; V58-A60 HydrophobicContact CG1-CB 4.05Å; V58-A76 HydrophobicContact CB-CB 4.14Å; V58-A76 HydrophobicContact CG1-CB 4.21Å; V58-A76 CarbonylContact O-C 3.56Å; V58-A76 WeakPolarHBondContact O-CA 2.94Å; V58-Q77 PolarHBondContact O-N 3.23Å
59	I	98.8	Very high	97.4	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.9	167.7	-55.9	-179.4	0	0	0	107	H34 V35 G36 F37 Q77 V79 V85 K88	H34-I59 HydrophobicContact CB-CD1 3.7Å; H34-I59 HydrophobicContact CB-CG1 4.01Å; V35-I59 PolarHBondContact O-N 3.36Å; G36-I59 CarbonylContact C-O 3.58Å; G36-I59 VanDerWaalsContact CA-O 3.27Å; G36-I59 WeakPolarHBondContact CA-O 3.44Å; F37-I59 PolarHBondContact N-O 2.63Å; I59-Q77 CarbonylContact C-O 3.53Å; I59-Q77 VanDerWaalsContact CA-O 3.28Å; I59-Q77 WeakPolarHBondContact CA-O 3.36Å; I59-Q77 HydrophobicContact CG1-CB 4.28Å; I59-V79 HydrophobicContact CG2-CG1 3.77Å; I59-V79 HydrophobicContact CG2-CG2 3.98Å; I59-V85 HydrophobicContact CG2-CG2 4.38Å; I59-K88 HydrophobicContact CD1-CB 3.26Å; I59-K88 HydrophobicContact CD1-CD 4.14Å; I59-K88 HydrophobicContact CD1-CG 4.33Å
60	A	98.6	Very high	97.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	156.6	-170.6	0	0	0	0	0	113.7	F37 L40 V58 Q77 I78 V79	F37-A60 HydrophobicContact CB-CB 4.24Å; F37-A60 WeakPolarHBondContact O-CA 3.44Å; L40-A60 HydrophobicContact CD1-CB 3.99Å; L40-A60 HydrophobicContact CD2-CB 4.49Å; V58-A60 HydrophobicContact CG1-CB 4.05Å; A60-Q77 PolarHBondContact N-O 3.43Å; A60-I78 HydrophobicContact CB-CD1 4.16Å; A60-I78 WeakPolarHBondContact O-CA 3.32Å; A60-V79 PolarHBondContact O-N 3.47Å
61	T	98.8	Very high	97.2	Very high	8 Å²	8	54 Å²	54	5%	0.049	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	150.4	171.8	-166.5	0	0	0	0	109.9	F37 V38 G39 V79 P82 V85	F37-T61 PolarHBondContact O-N 3.3Å; F37-T61 VanDerWaalsContact O-N 3.1Å; V38-T61 HydrophobicContact CB-CG2 4.39Å; V38-T61 HydrophobicContact CG1-CG2 3.9Å; V38-T61 HydrophobicContact CG2-CG2 4.1Å; G39-T61 PolarHBondContact N-O 3.1Å; T61-V79 VanDerWaalsContact CB-O 3.23Å; T61-V79 WeakPolarHBondContact CB-O 3.49Å; T61-V79 PolarHBondContact OG1-O 3.19Å; T61-P82 HydrophobicContact CG2-CG 4.37Å; T61-V85 HydrophobicContact CG2-CG2 3.71Å
62	D	98.6	Very high	97.1	Very high	26 Å²	26	59.3 Å²	59.3	14%	0.139	31%	0.308	C	S	.	.			trans	-142.7	150.4	169.8	-165.4	-71.9	0	0	0	107.9	G39 L40 F64	G39-D62 WeakPolarHBondContact CA-OD2 3.1Å; L40-D62 HydrophobicContact CB-CB 4.21Å; L40-D62 HydrophobicContact CD1-CB 4.41Å; L40-D62 HydrophobicContact CG-CB 4.46Å; L40-D62 PolarHBondContact N-OD2 3.07Å; D62-F64 PolarHBondContact O-N 3.34Å; D62-F64 WeakPolarHBondContact OD1-CB 3.39Å; D62-F64 PolarHBondContact OD1-N 3.37Å
63	V	97.2	Very high	97.1	Very high	124 Å²	124	65.5 Å²	65.5	75%	0.752	34%	0.336	S	S	*	.	S	Bend	trans	-64.7	-22.4	175.5	68.7	0	0	0	0	112.1	P65	V63-P65 WeakPolarHBondContact O-CD 3.41Å
64	F	96.9	Very high	97.1	Very high	116 Å²	116	62.2 Å²	62.2	51%	0.509	33%	0.326	S	S	.	.	S	Bend	trans	-101.9	102.3	174.6	-65.1	-70.5	0	0	0	110	D62 E66 S67	D62-F64 PolarHBondContact O-N 3.34Å; D62-F64 WeakPolarHBondContact OD1-CB 3.39Å; D62-F64 PolarHBondContact OD1-N 3.37Å; F64-E66 HydrophobicContact CB-CG 4.47Å; F64-E66 WeakPolarHBondContact CB-OE1 3.24Å; F64-E66 WeakPolarHBondContact CD1-OE1 3.28Å; F64-E66 PolarHBondContact O-N 2.76Å; F64-E66 VanDerWaalsContact O-N 3.11Å; F64-S67 WeakPolarHBondContact O-CB 2.9Å; F64-S67 PolarHBondContact O-N 3.01Å
65	P	94.1	Very high	97.1	Very high	97 Å²	97	61 Å²	61	63%	0.63	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-56.3	-32.3	-176	-26.5	35.4	0	0	0	113.8	V63 S67 C68	V63-P65 WeakPolarHBondContact O-CD 3.41Å; P65-S67 PolarHBondContact O-N 2.79Å; P65-C68 WeakPolarHBondContact O-CB 3.26Å; P65-C68 PolarHBondContact O-N 3.11Å; P65-C68 VanDerWaalsContact O-N 3.13Å
66	E	96	Very high	97.2	Very high	108 Å²	108	59.5 Å²	59.5	51%	0.505	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-60.2	-30.9	176.1	64	-83.7	-164.9	0	0	113.5	F64 C68 K69	F64-E66 HydrophobicContact CB-CG 4.47Å; F64-E66 WeakPolarHBondContact CB-OE1 3.24Å; F64-E66 WeakPolarHBondContact CD1-OE1 3.28Å; F64-E66 PolarHBondContact O-N 2.76Å; F64-E66 VanDerWaalsContact O-N 3.11Å; E66-C68 PolarHBondContact O-N 2.85Å; E66-K69 PolarHBondContact O-N 2.85Å
67	S	95.9	Very high	97.3	Very high	31 Å²	31	62.6 Å²	62.6	22%	0.217	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-70.6	-17.9	178.9	-58.8	0	0	0	0	112.5	F64 P65	F64-S67 WeakPolarHBondContact O-CB 2.9Å; F64-S67 PolarHBondContact O-N 3.01Å; P65-S67 PolarHBondContact O-N 2.79Å
68	C	97.2	Very high	97.3	Very high	6 Å²	6	62.6 Å²	62.6	4%	0.041	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-82.9	-20.3	179.9	-63.3	0	0	0	0	113.9	L40 P65 E66 E70 V71 Q72 I78	L40-C68 HydrophobicContact CD1-CB 4.24Å; P65-C68 WeakPolarHBondContact O-CB 3.26Å; P65-C68 PolarHBondContact O-N 3.11Å; P65-C68 VanDerWaalsContact O-N 3.13Å; E66-C68 PolarHBondContact O-N 2.85Å; C68-E70 PolarHBondContact O-N 2.79Å; C68-V71 WeakPolarHBondContact O-CG2 3.4Å; C68-V71 PolarHBondContact O-N 2.99Å; C68-Q72 WeakPolarHBondContact O-CB 3.44Å; C68-Q72 PolarHBondContact O-N 2.98Å; C68-I78 HydrophobicContact CB-CD1 3.84Å; C68-I78 HydrophobicContact CB-CG1 4.05Å; C68-I78 HydrophobicContact CB-CG2 4Å
69	K	96.4	Very high	97.3	Very high	121 Å²	121	62.8 Å²	62.8	53%	0.526	33%	0.333	S	S	.	.	H	α-helix	trans	-55.7	-50.2	-168.8	-70.2	179.7	177.5	178.2	0	113.1	E66 V71 Q72 E73	E66-K69 PolarHBondContact O-N 2.85Å; K69-V71 PolarHBondContact O-N 3.09Å; K69-Q72 WeakPolarHBondContact O-CB 3.42Å; K69-Q72 PolarHBondContact O-N 2.8Å; K69-E73 WeakPolarHBondContact O-CG 3.4Å; K69-E73 PolarHBondContact O-N 3.38Å
70	E	94.8	Very high	97.3	Very high	98 Å²	98	69.6 Å²	69.6	46%	0.458	37%	0.37	S	S	.	.	H	α-helix	trans	-67.8	-34.9	-173.3	-59.4	-179.4	172.6	0	0	113.1	N45 K49 C68 L74	N45-E70 PolarHBondContact ND2-OE2 3.08Å; N45-E70 VanDerWaalsContact ND2-OE2 3.12Å; N45-E70 PolarHBondContact OD1-OE2 3Å; K49-E70 IonicContact NZ-OE2 2.57Å; K49-E70 PolarHBondContact NZ-OE2 3.26Å; C68-E70 PolarHBondContact O-N 2.79Å; E70-L74 WeakPolarHBondContact O-CG 3.33Å
71	V	97.3	Very high	97.3	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-78.4	-30.8	176.6	-65.5	0	0	0	0	111.4	L40 A48 K49 L52 C68 K69 L74 G75 A76 I78	L40-V71 HydrophobicContact CD1-CG2 3.6Å; L40-V71 HydrophobicContact CD2-CG1 4.34Å; L40-V71 HydrophobicContact CD2-CG2 4.26Å; A48-V71 HydrophobicContact CB-CG1 4Å; K49-V71 HydrophobicContact CG-CG1 3.97Å; L52-V71 HydrophobicContact CD1-CB 4.45Å; C68-V71 WeakPolarHBondContact O-CG2 3.4Å; C68-V71 PolarHBondContact O-N 2.99Å; K69-V71 PolarHBondContact O-N 3.09Å; V71-L74 CarbonylContact O-C 3.57Å; V71-L74 PolarHBondContact O-N 3.26Å; V71-G75 PolarHBondContact O-N 2.8Å; V71-A76 HydrophobicContact CB-CB 4.09Å; V71-A76 HydrophobicContact CG2-CB 4.28Å; V71-A76 WeakPolarHBondContact O-CB 3.42Å; V71-A76 PolarHBondContact O-N 2.77Å; V71-I78 HydrophobicContact CG2-CD1 4.11Å
72	Q	97.9	Very high	97.3	Very high	111 Å²	111	70.9 Å²	70.9	52%	0.519	38%	0.379	S	S	.	.	H	α-helix	trans	-63.3	-45.1	173.1	-173.8	178.4	30.7	0	0	111.5	C68 K69 L74 G75 I78	C68-Q72 WeakPolarHBondContact O-CB 3.44Å; C68-Q72 PolarHBondContact O-N 2.98Å; K69-Q72 WeakPolarHBondContact O-CB 3.42Å; K69-Q72 PolarHBondContact O-N 2.8Å; Q72-L74 PolarHBondContact O-N 3.41Å; Q72-G75 PolarHBondContact O-N 2.64Å; Q72-I78 HydrophobicContact CB-CD1 4.14Å; Q72-I78 HydrophobicContact CB-CG1 3.74Å; Q72-I78 HydrophobicContact CG-CG1 3.88Å
73	E	97.6	Very high	97.3	Very high	161 Å²	161	69.8 Å²	69.8	75%	0.752	37%	0.374	S	S	*	.	H	α-helix	trans	-59.7	-27.5	175.4	-74	171.8	-176.6	0	0	112.6	K69 G75	K69-E73 WeakPolarHBondContact O-CG 3.4Å; K69-E73 PolarHBondContact O-N 3.38Å; E73-G75 VanDerWaalsContact C-N 3.3Å
74	L	97.3	Very high	97.3	Very high	102 Å²	102	66.3 Å²	66.3	53%	0.534	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7.2	175.5	-64.1	172.2	0	0	0	113.5	K49 L52 E70 V71 Q72	K49-L74 HydrophobicContact CB-CD1 4.41Å; K49-L74 HydrophobicContact CD-CD1 3.91Å; K49-L74 HydrophobicContact CG-CD1 3.65Å; L52-L74 HydrophobicContact CD1-CB 3.77Å; E70-L74 WeakPolarHBondContact O-CG 3.33Å; V71-L74 CarbonylContact O-C 3.57Å; V71-L74 PolarHBondContact O-N 3.26Å; Q72-L74 PolarHBondContact O-N 3.41Å
75	G	97	Very high	97.4	Very high	60 Å²	60	60.8 Å²	60.8	62%	0.619	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.8	11.3	172.9	0	0	0	0	0	115.6	V71 Q72 E73	V71-G75 PolarHBondContact O-N 2.8Å; Q72-G75 PolarHBondContact O-N 2.64Å; E73-G75 VanDerWaalsContact C-N 3.3Å
76	A	98.1	Very high	97.6	Very high	7 Å²	7	56.1 Å²	56.1	6%	0.058	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-68.1	140.4	169.3	0	0	0	0	0	111.1	L52 V58 V71 I78	L52-A76 HydrophobicContact CD1-CB 4.26Å; V58-A76 HydrophobicContact CB-CB 4.14Å; V58-A76 HydrophobicContact CG1-CB 4.21Å; V58-A76 CarbonylContact O-C 3.56Å; V58-A76 WeakPolarHBondContact O-CA 2.94Å; V71-A76 HydrophobicContact CB-CB 4.09Å; V71-A76 HydrophobicContact CG2-CB 4.28Å; V71-A76 WeakPolarHBondContact O-CB 3.42Å; V71-A76 PolarHBondContact O-N 2.77Å; A76-I78 HydrophobicContact CB-CD1 4.36Å
77	Q	98.4	Very high	97.7	Very high	84 Å²	84	55.5 Å²	55.5	39%	0.393	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.1	168.6	179.1	178.6	6.7	0	0	109.3	V58 I59 A60 V79	V58-Q77 PolarHBondContact O-N 3.23Å; I59-Q77 CarbonylContact C-O 3.53Å; I59-Q77 VanDerWaalsContact CA-O 3.28Å; I59-Q77 WeakPolarHBondContact CA-O 3.36Å; I59-Q77 HydrophobicContact CG1-CB 4.28Å; A60-Q77 PolarHBondContact N-O 3.43Å; Q77-V79 HydrophobicContact CG-CG1 4.43Å
78	I	98.6	Very high	97.8	Very high	50 Å²	50	57.8 Å²	57.8	26%	0.256	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.6	175.1	-50.9	-53	0	0	0	110	A60 C68 V71 Q72 A76	A60-I78 HydrophobicContact CB-CD1 4.16Å; A60-I78 WeakPolarHBondContact O-CA 3.32Å; C68-I78 HydrophobicContact CB-CD1 3.84Å; C68-I78 HydrophobicContact CB-CG1 4.05Å; C68-I78 HydrophobicContact CB-CG2 4Å; V71-I78 HydrophobicContact CG2-CD1 4.11Å; Q72-I78 HydrophobicContact CB-CD1 4.14Å; Q72-I78 HydrophobicContact CB-CG1 3.74Å; Q72-I78 HydrophobicContact CG-CG1 3.88Å; A76-I78 HydrophobicContact CB-CD1 4.36Å
79	V	98.6	Very high	97.8	Very high	6 Å²	6	57.6 Å²	57.6	4%	0.036	30%	0.296	C	S	.	.			trans	-129.4	163.6	176.3	-62.5	0	0	0	0	110.8	I59 A60 T61 Q77 E84 V85 K88	I59-V79 HydrophobicContact CG2-CG1 3.77Å; I59-V79 HydrophobicContact CG2-CG2 3.98Å; A60-V79 PolarHBondContact O-N 3.47Å; T61-V79 VanDerWaalsContact CB-O 3.23Å; T61-V79 WeakPolarHBondContact CB-O 3.49Å; T61-V79 PolarHBondContact OG1-O 3.19Å; Q77-V79 HydrophobicContact CG-CG1 4.43Å; V79-E84 HydrophobicContact CB-CB 3.86Å; V79-E84 HydrophobicContact CG1-CB 4.39Å; V79-E84 HydrophobicContact CG2-CB 3.95Å; V79-V85 HydrophobicContact CG2-CB 4.42Å; V79-V85 HydrophobicContact CG2-CG2 3.39Å; V79-K88 HydrophobicContact CG1-CD 4.22Å
80	D	97.4	Very high	97.8	Very high	145 Å²	145	54.7 Å²	54.7	78%	0.775	29%	0.287	S	S	*	.	S	Bend	trans	-86.3	-10.3	-167.6	-62.1	-34.5	0	0	0	113.7
81	S	98.6	Very high	98	Very high	12 Å²	12	51.1 Å²	51.1	8%	0.084	27%	0.269	C	S	.	.	S	Bend	trans	-156	158.6	-178	66	0	0	0	0	115.2	A83 E84 V85	S81-A83 VanDerWaalsContact C-N 3.26Å; S81-A83 PolarHBondContact O-N 2.79Å; S81-E84 PolarHBondContact O-N 3.31Å; S81-E84 VanDerWaalsContact O-N 3.14Å; S81-E84 WeakPolarHBondContact OG-CG 3.27Å; S81-E84 PolarHBondContact OG-N 3.19Å; S81-V85 PolarHBondContact O-N 3.31Å
82	P	98.8	Very high	98.1	Very high	23 Å²	23	51.1 Å²	51.1	15%	0.149	27%	0.269	C	S	.	.	H	α-helix	trans	-58.8	-33.7	171.8	-24	33	0	0	0	114	V38 T61 V85 A86 V105 N110 I112	V38-P82 HydrophobicContact CG1-CB 4.37Å; V38-P82 HydrophobicContact CG1-CG 4.01Å; V38-P82 HydrophobicContact CG2-CB 4.29Å; T61-P82 HydrophobicContact CG2-CG 4.37Å; P82-V85 WeakPolarHBondContact O-CB 3.27Å; P82-V85 PolarHBondContact O-N 3.07Å; P82-A86 PolarHBondContact O-N 2.57Å; P82-A86 VanDerWaalsContact O-N 3.08Å; P82-V105 HydrophobicContact CB-CG1 4.03Å; P82-V105 HydrophobicContact CG-CG1 4.08Å; P82-V105 HydrophobicContact CG-CG2 4.29Å; P82-N110 WeakPolarHBondContact CD-O 3.36Å; P82-I112 HydrophobicContact CB-CG1 3.8Å
83	A	98.8	Very high	98.1	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-42.1	173.8	0	0	0	0	0	112.1	S81 V85 A86 E87 N110 G111 K114 K115	S81-A83 VanDerWaalsContact C-N 3.26Å; S81-A83 PolarHBondContact O-N 2.79Å; A83-V85 VanDerWaalsContact C-N 3.32Å; A83-V85 PolarHBondContact O-N 2.67Å; A83-A86 PolarHBondContact O-N 3.44Å; A83-A86 VanDerWaalsContact O-N 3.17Å; A83-E87 PolarHBondContact O-N 3.4Å; A83-N110 WeakPolarHBondContact CB-O 3.46Å; A83-N110 PolarHBondContact N-O 3.33Å; A83-G111 WeakPolarHBondContact CB-O 3.47Å; A83-K114 HydrophobicContact CB-CB 4.39Å; A83-K115 HydrophobicContact CB-CB 4.46Å; A83-K115 HydrophobicContact CB-CD 4.17Å; A83-K115 HydrophobicContact CB-CG 4.17Å; A83-K115 WeakPolarHBondContact O-CB 3.4Å
84	E	98.6	Very high	98.2	Very high	50 Å²	50	38.2 Å²	38.2	23%	0.234	21%	0.209	C	C	.	.	H	α-helix	trans	-68.3	-31	176.8	-75.4	178.9	-140.2	0	0	113.1	V79 S81 A86 K88	V79-E84 HydrophobicContact CB-CB 3.86Å; V79-E84 HydrophobicContact CG1-CB 4.39Å; V79-E84 HydrophobicContact CG2-CB 3.95Å; S81-E84 PolarHBondContact O-N 3.31Å; S81-E84 VanDerWaalsContact O-N 3.14Å; S81-E84 WeakPolarHBondContact OG-CG 3.27Å; S81-E84 PolarHBondContact OG-N 3.19Å; E84-A86 VanDerWaalsContact C-N 3.33Å; E84-K88 WeakPolarHBondContact O-CG 3.23Å; E84-K88 PolarHBondContact O-N 2.84Å
85	V	98.7	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-48.5	168.9	177	0	0	0	0	109.4	V38 I59 T61 V79 S81 P82 A83 E87 K88 A89 I92	V38-V85 HydrophobicContact CG2-CB 4.43Å; V38-V85 HydrophobicContact CG2-CG1 4.37Å; V38-V85 HydrophobicContact CG2-CG2 4.24Å; I59-V85 HydrophobicContact CG2-CG2 4.38Å; T61-V85 HydrophobicContact CG2-CG2 3.71Å; V79-V85 HydrophobicContact CG2-CB 4.42Å; V79-V85 HydrophobicContact CG2-CG2 3.39Å; S81-V85 PolarHBondContact O-N 3.31Å; P82-V85 WeakPolarHBondContact O-CB 3.27Å; P82-V85 PolarHBondContact O-N 3.07Å; A83-V85 VanDerWaalsContact C-N 3.32Å; A83-V85 PolarHBondContact O-N 2.67Å; V85-E87 VanDerWaalsContact C-N 3.31Å; V85-E87 PolarHBondContact O-N 3.05Å; V85-K88 PolarHBondContact O-N 2.82Å; V85-K88 VanDerWaalsContact O-N 3.15Å; V85-A89 WeakPolarHBondContact O-CB 3.42Å; V85-A89 PolarHBondContact O-N 2.97Å; V85-I92 HydrophobicContact CG1-CD1 4.47Å; V85-I92 HydrophobicContact CG1-CG1 4.41Å; V85-I92 HydrophobicContact CG1-CG2 4.08Å
86	A	98.6	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-28.5	-177.7	0	0	0	0	0	114.3	P82 A83 E84 K88 I92 I112	P82-A86 PolarHBondContact O-N 2.57Å; P82-A86 VanDerWaalsContact O-N 3.08Å; A83-A86 PolarHBondContact O-N 3.44Å; A83-A86 VanDerWaalsContact O-N 3.17Å; E84-A86 VanDerWaalsContact C-N 3.33Å; A86-K88 VanDerWaalsContact C-N 3.29Å; A86-K88 PolarHBondContact O-N 3.4Å; A86-I92 HydrophobicContact CB-CD1 3.68Å; A86-I112 HydrophobicContact CB-CB 4.45Å; A86-I112 HydrophobicContact CB-CG2 3.96Å; A86-I112 WeakPolarHBondContact CB-O 3.27Å
87	E	98.1	Very high	98	Very high	94 Å²	94	36.6 Å²	36.6	44%	0.439	19%	0.189	S	C	.	.	H	α-helix	trans	-65.6	-34.1	173.2	-174	168.5	-160.9	0	0	112.2	A83 V85 K115 K117	A83-E87 PolarHBondContact O-N 3.4Å; V85-E87 VanDerWaalsContact C-N 3.31Å; V85-E87 PolarHBondContact O-N 3.05Å; E87-K115 HydrophobicContact CB-CB 4.2Å; E87-K115 HydrophobicContact CB-CD 3.88Å; E87-K115 HydrophobicContact CG-CD 4.28Å; E87-K115 IonicContact OE1-NZ 2.77Å; E87-K115 WeakPolarHBondContact OE2-CD 3.5Å; E87-K115 IonicContact OE2-NZ 3.9Å; E87-K115 PolarHBondContact OE2-NZ 3.44Å; E87-K117 WeakPolarHBondContact O-CE 3.42Å; E87-K117 PolarHBondContact O-NZ 3.36Å
88	K	97.7	Very high	97.8	Very high	80 Å²	80	34 Å²	34	35%	0.348	18%	0.18	S	C	.	.	H	α-helix	trans	-105.1	-18.4	-171.1	-61.2	174.1	-179.8	172.9	0	114	I59 V79 E84 V85 A86	I59-K88 HydrophobicContact CD1-CB 3.26Å; I59-K88 HydrophobicContact CD1-CD 4.14Å; I59-K88 HydrophobicContact CD1-CG 4.33Å; V79-K88 HydrophobicContact CG1-CD 4.22Å; E84-K88 WeakPolarHBondContact O-CG 3.23Å; E84-K88 PolarHBondContact O-N 2.84Å; V85-K88 PolarHBondContact O-N 2.82Å; V85-K88 VanDerWaalsContact O-N 3.15Å; A86-K88 VanDerWaalsContact C-N 3.29Å; A86-K88 PolarHBondContact O-N 3.4Å
89	A	97.6	Very high	97.7	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	17%	0.173	C	C	.	.			trans	-128.5	138.8	-178.2	0	0	0	0	0	112.6	H34 V85 I92	H34-A89 HydrophobicContact CB-CB 4.32Å; V85-A89 WeakPolarHBondContact O-CB 3.42Å; V85-A89 PolarHBondContact O-N 2.97Å; A89-I92 HydrophobicContact CB-CG1 4.47Å
90	D	95.9	Very high	97.6	Very high	61 Å²	61	36.2 Å²	36.2	33%	0.326	20%	0.198	S	C	.	.	S	Bend	trans	-101	-8.1	-178.4	-51.2	-22.6	0	0	0	112	K117 S120 L121	D90-K117 VanDerWaalsContact OD1-CD 3.28Å; D90-K117 WeakPolarHBondContact OD1-CD 3.42Å; D90-K117 WeakPolarHBondContact OD1-CE 3.02Å; D90-K117 IonicContact OD1-NZ 3.53Å; D90-K117 PolarHBondContact OD1-NZ 2.76Å; D90-S120 CarbonylContact O-C 3.57Å; D90-S120 WeakPolarHBondContact O-CA 3.42Å; D90-S120 WeakPolarHBondContact O-CB 3.4Å; D90-L121 PolarHBondContact O-N 3.41Å
91	R	98.3	Very high	97.6	Very high	23 Å²	23	32.3 Å²	32.3	9%	0.087	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	115.2	173.5	-57.9	172	82.8	174.7	8.6	107.4	V35 G36 L121 A177 E180 L181	V35-R91 CarbonylContact C-O 3.5Å; V35-R91 WeakPolarHBondContact CA-O 3.39Å; G36-R91 PolarHBondContact N-O 3.04Å; R91-L121 CarbonylContact C-O 3.59Å; R91-L121 VanDerWaalsContact CA-O 3.3Å; R91-L121 WeakPolarHBondContact CA-O 3.49Å; R91-L121 HydrophobicContact CG-CB 4.39Å; R91-A177 PolarHBondContact NH2-O 2.75Å; R91-E180 IonicContact CZ-OE2 2.69Å; R91-E180 IonicContact NH1-OE1 3.42Å; R91-E180 PolarHBondContact NH1-OE1 2.91Å; R91-E180 IonicContact NH1-OE2 2.84Å; R91-E180 PolarHBondContact NH1-OE2 3.13Å; R91-E180 IonicContact NH2-OE2 3.92Å; R91-E180 PolarHBondContact NH2-OE2 3.43Å; R91-L181 HydrophobicContact CB-CD1 3.83Å; R91-L181 HydrophobicContact CG-CD1 4.39Å; R91-L181 VanDerWaalsContact CZ-CG 3.49Å
92	I	98.9	Very high	97.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.7	-170.4	-51.9	174	0	0	0	109	G36 V38 V85 A86 A89 T94 I112 L121 L122 I123	G36-I92 CarbonylContact O-C 3.32Å; G36-I92 WeakPolarHBondContact O-CA 3.31Å; V38-I92 HydrophobicContact CG2-CG2 4.31Å; V85-I92 HydrophobicContact CG1-CD1 4.47Å; V85-I92 HydrophobicContact CG1-CG1 4.41Å; V85-I92 HydrophobicContact CG1-CG2 4.08Å; A86-I92 HydrophobicContact CB-CD1 3.68Å; A89-I92 HydrophobicContact CB-CG1 4.47Å; I92-T94 HydrophobicContact CG2-CG2 4.48Å; I92-I112 HydrophobicContact CD1-CG2 3.93Å; I92-I112 HydrophobicContact CG2-CD1 4.05Å; I92-L121 PolarHBondContact N-O 3.3Å; I92-L122 HydrophobicContact CB-CD2 3.97Å; I92-L122 HydrophobicContact CD1-CD2 3.74Å; I92-L122 HydrophobicContact CG1-CD2 4.08Å; I92-I123 PolarHBondContact O-N 2.91Å
93	I	98.9	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	134.9	172.1	-64.7	154	0	0	0	108.4	V35 G36 F37 V38 L51 I123 M185	V35-I93 HydrophobicContact CG1-CD1 4.07Å; G36-I93 PolarHBondContact O-N 3.39Å; F37-I93 CarbonylContact C-O 3.6Å; F37-I93 WeakPolarHBondContact CA-O 3.5Å; F37-I93 HydrophobicContact CD2-CB 4.01Å; F37-I93 HydrophobicContact CD2-CD1 4.41Å; F37-I93 HydrophobicContact CD2-CG2 4.18Å; F37-I93 HydrophobicContact CE2-CB 4.03Å; F37-I93 HydrophobicContact CE2-CD1 4.34Å; F37-I93 HydrophobicContact CE2-CG2 3.7Å; F37-I93 HydrophobicContact CZ-CG2 3.94Å; V38-I93 PolarHBondContact N-O 2.95Å; L51-I93 HydrophobicContact CD1-CD1 3.82Å; I93-I123 CarbonylContact C-O 3.55Å; I93-I123 VanDerWaalsContact CA-O 3.27Å; I93-I123 WeakPolarHBondContact CA-O 3.42Å; I93-I123 HydrophobicContact CG1-CB 4.25Å; I93-M185 HydrophobicContact CD1-CE 3.63Å; I93-M185 HydrophobicContact CD1-SD 4.35Å
94	T	98.9	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.9	170.1	62.8	0	0	0	0	110.4	V38 I92 V105 Y106 I112 I123 D124 S125	V38-T94 HydrophobicContact CB-CG2 4.01Å; V38-T94 HydrophobicContact CG2-CG2 4.3Å; V38-T94 WeakPolarHBondContact O-CA 3.39Å; I92-T94 HydrophobicContact CG2-CG2 4.48Å; T94-V105 HydrophobicContact CG2-CG1 4.12Å; T94-Y106 HydrophobicContact CG2-CE2 3.65Å; T94-Y106 WeakPolarHBondContact OG1-CE2 3.3Å; T94-Y106 PolarHBondContact OG1-OH 2.88Å; T94-I112 HydrophobicContact CG2-CD1 3.52Å; T94-I123 PolarHBondContact N-O 3.14Å; T94-D124 WeakPolarHBondContact OG1-CA 3.38Å; T94-D124 PolarHBondContact OG1-OD1 2.97Å; T94-D124 VanDerWaalsContact OG1-OD1 3.05Å; T94-S125 PolarHBondContact O-N 3.43Å
95	M	98.7	Very high	97.6	Very high	28 Å²	28	36.2 Å²	36.2	14%	0.138	20%	0.197	C	C	.	.			trans	-140.6	87.5	179.9	-170.5	60.2	-172.8	0	0	110.3	F37 V38 M43 M47 V152	F37-M95 HydrophobicContact CE1-CB 4.01Å; F37-M95 HydrophobicContact CZ-CB 4.3Å; V38-M95 PolarHBondContact O-N 3.45Å; M43-M95 HydrophobicContact CB-CE 3.47Å; M43-M95 VanDerWaalsContact CB-CE 3.47Å; M43-M95 HydrophobicContact CB-CG 4.08Å; M43-M95 HydrophobicContact CG-CE 3.84Å; M47-M95 HydrophobicContact CE-SD 4.36Å; M47-M95 HydrophobicContact SD-CG 4.14Å; M47-M95 HydrophobicContact SD-SD 4.25Å; M95-V152 HydrophobicContact CE-CG2 3.63Å
96	L	98	Very high	97.6	Very high	23 Å²	23	36.2 Å²	36.2	12%	0.12	20%	0.197	C	C	.	.			trans	-121.2	156.8	-163.5	-57.8	171.2	0	0	0	112.2	V38 N101 V102 V105 S126	V38-L96 HydrophobicContact CG1-CD2 4.5Å; L96-N101 HydrophobicContact CB-CB 4.15Å; L96-V102 HydrophobicContact CB-CG2 4.08Å; L96-V102 HydrophobicContact CD1-CB 4.42Å; L96-V102 HydrophobicContact CD1-CG2 3.94Å; L96-V105 HydrophobicContact CD1-CB 3.63Å; L96-V105 HydrophobicContact CD1-CG1 3.9Å; L96-V105 HydrophobicContact CD1-CG2 3.58Å; L96-V105 HydrophobicContact CD2-CG2 4.12Å; L96-S126 WeakPolarHBondContact CB-OG 3.27Å; L96-S126 PolarHBondContact N-OG 2.87Å; L96-S126 WeakPolarHBondContact O-CB 3.37Å; L96-S126 PolarHBondContact O-OG 3.19Å
97	P	93	Very high	97.6	Very high	84 Å²	84	38.8 Å²	38.8	55%	0.545	21%	0.213	S	C	.	.	S	Bend	trans	-79.5	-20.6	-170.6	25	-27.7	0	0	0	114.3	N101 K277	P97-N101 WeakPolarHBondContact CG-OD1 3.27Å; P97-K277 PolarHBondContact O-NZ 3.45Å
98	S	93.5	Very high	97.6	Very high	29 Å²	29	34.8 Å²	34.8	20%	0.203	20%	0.197	C	C	.	.	S	Bend	trans	-156.7	164.3	-175.4	80.5	0	0	0	0	114.6	P100 N101 V102	S98-P100 WeakPolarHBondContact OG-CD 3.21Å; S98-N101 WeakPolarHBondContact CB-OD1 3.36Å; S98-N101 PolarHBondContact N-OD1 2.96Å; S98-N101 WeakPolarHBondContact O-CB 3.42Å; S98-N101 PolarHBondContact O-N 2.97Å; S98-N101 VanDerWaalsContact O-N 3.1Å; S98-N101 PolarHBondContact OG-OD1 3.44Å; S98-V102 PolarHBondContact O-N 3.17Å
99	S	95.3	Very high	97.6	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-44.3	177.4	-34.1	0	0	0	0	112.7	N101 V102 I103 D129	S99-N101 VanDerWaalsContact C-N 3.27Å; S99-N101 PolarHBondContact O-N 2.94Å; S99-V102 PolarHBondContact O-N 3Å; S99-V102 VanDerWaalsContact O-N 3.14Å; S99-I103 WeakPolarHBondContact O-CG1 3.42Å; S99-I103 PolarHBondContact O-N 2.98Å; S99-D129 PolarHBondContact OG-N 3.34Å
100	P	96.6	Very high	97.6	Very high	88 Å²	88	41.1 Å²	41.1	57%	0.571	24%	0.241	S	C	*	.	H	α-helix	trans	-54.7	-39.3	171.4	-29.3	35.3	0	0	0	114.1	S98 I103 D104	S98-P100 WeakPolarHBondContact OG-CD 3.21Å; P100-I103 PolarHBondContact O-N 3.21Å; P100-D104 WeakPolarHBondContact O-CB 3.4Å; P100-D104 PolarHBondContact O-N 3.22Å
101	N	98.3	Very high	97.8	Very high	64 Å²	64	38.3 Å²	38.3	34%	0.342	23%	0.226	S	C	.	.	H	α-helix	trans	-68	-39.9	177.1	-59.6	112.6	0	0	0	112	L96 P97 S98 S99 D104 V105	L96-N101 HydrophobicContact CB-CB 4.15Å; P97-N101 WeakPolarHBondContact CG-OD1 3.27Å; S98-N101 WeakPolarHBondContact CB-OD1 3.36Å; S98-N101 PolarHBondContact N-OD1 2.96Å; S98-N101 WeakPolarHBondContact O-CB 3.42Å; S98-N101 PolarHBondContact O-N 2.97Å; S98-N101 VanDerWaalsContact O-N 3.1Å; S98-N101 PolarHBondContact OG-OD1 3.44Å; S99-N101 VanDerWaalsContact C-N 3.27Å; S99-N101 PolarHBondContact O-N 2.94Å; N101-D104 PolarHBondContact O-N 2.77Å; N101-V105 WeakPolarHBondContact O-CB 3.49Å; N101-V105 WeakPolarHBondContact O-CG2 3.34Å; N101-V105 PolarHBondContact O-N 3.49Å
102	V	98.6	Very high	97.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.4	-47.9	174.2	173.9	0	0	0	0	110.1	L96 S98 S99 D104 V105 Y106 I128 M136	L96-V102 HydrophobicContact CB-CG2 4.08Å; L96-V102 HydrophobicContact CD1-CB 4.42Å; L96-V102 HydrophobicContact CD1-CG2 3.94Å; S98-V102 PolarHBondContact O-N 3.17Å; S99-V102 PolarHBondContact O-N 3Å; S99-V102 VanDerWaalsContact O-N 3.14Å; V102-D104 VanDerWaalsContact C-N 3.33Å; V102-D104 PolarHBondContact O-N 2.91Å; V102-V105 PolarHBondContact O-N 2.69Å; V102-Y106 HydrophobicContact CG1-CD2 3.84Å; V102-Y106 HydrophobicContact CG1-CE2 4Å; V102-Y106 VanDerWaalsContact O-CD2 3.27Å; V102-Y106 WeakPolarHBondContact O-CD2 3.3Å; V102-Y106 PolarHBondContact O-N 2.8Å; V102-I128 HydrophobicContact CB-CD1 4.37Å; V102-I128 HydrophobicContact CG1-CD1 4.1Å; V102-I128 HydrophobicContact CG2-CD1 4.3Å; V102-I128 HydrophobicContact CG2-CG2 3.77Å; V102-M136 HydrophobicContact CG1-CG 4.07Å
103	I	98.6	Very high	97.8	Very high	58 Å²	58	38.3 Å²	38.3	30%	0.297	23%	0.227	S	C	.	.	H	α-helix	trans	-57.9	-46.8	178.7	-67.2	162.5	0	0	0	110.9	S99 P100 Y106 T107 V132 M136	S99-I103 WeakPolarHBondContact O-CG1 3.42Å; S99-I103 PolarHBondContact O-N 2.98Å; P100-I103 PolarHBondContact O-N 3.21Å; I103-Y106 PolarHBondContact O-N 2.8Å; I103-T107 WeakPolarHBondContact O-CB 3.43Å; I103-T107 PolarHBondContact O-N 3.15Å; I103-T107 PolarHBondContact O-OG1 2.8Å; I103-V132 HydrophobicContact CD1-CG1 3.91Å; I103-V132 HydrophobicContact CD1-CG2 4.16Å; I103-V132 HydrophobicContact CG1-CG1 3.64Å; I103-M136 HydrophobicContact CG1-CE 4.19Å
104	D	98.6	Very high	97.8	Very high	97 Å²	97	44.3 Å²	44.3	52%	0.519	25%	0.253	S	S	.	.	H	α-helix	trans	-64.3	-47	178.9	-176.4	58.1	0	0	0	112.3	P100 N101 V102 Y106 G108	P100-D104 WeakPolarHBondContact O-CB 3.4Å; P100-D104 PolarHBondContact O-N 3.22Å; N101-D104 PolarHBondContact O-N 2.77Å; V102-D104 VanDerWaalsContact C-N 3.33Å; V102-D104 PolarHBondContact O-N 2.91Å; D104-Y106 VanDerWaalsContact C-N 3.27Å; D104-Y106 PolarHBondContact O-N 2.89Å; D104-G108 VanDerWaalsContact O-CA 3.22Å; D104-G108 WeakPolarHBondContact O-CA 3.29Å; D104-G108 PolarHBondContact O-N 3.13Å
105	V	98.8	Very high	97.7	Very high	15 Å²	15	48.5 Å²	48.5	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-33.6	179	163.2	0	0	0	0	112.3	V38 P82 T94 L96 N101 V102 G111 I112	V38-V105 HydrophobicContact CB-CG1 4.29Å; V38-V105 HydrophobicContact CG1-CG1 3.74Å; V38-V105 HydrophobicContact CG1-CG2 4.18Å; P82-V105 HydrophobicContact CB-CG1 4.03Å; P82-V105 HydrophobicContact CG-CG1 4.08Å; P82-V105 HydrophobicContact CG-CG2 4.29Å; T94-V105 HydrophobicContact CG2-CG1 4.12Å; L96-V105 HydrophobicContact CD1-CB 3.63Å; L96-V105 HydrophobicContact CD1-CG1 3.9Å; L96-V105 HydrophobicContact CD1-CG2 3.58Å; L96-V105 HydrophobicContact CD2-CG2 4.12Å; N101-V105 WeakPolarHBondContact O-CB 3.49Å; N101-V105 WeakPolarHBondContact O-CG2 3.34Å; N101-V105 PolarHBondContact O-N 3.49Å; V102-V105 PolarHBondContact O-N 2.69Å; V105-G111 CarbonylContact O-C 3.59Å; V105-G111 WeakPolarHBondContact O-CA 3.22Å; V105-I112 HydrophobicContact CG1-CD1 3.79Å; V105-I112 HydrophobicContact CG1-CG1 4.23Å; V105-I112 PolarHBondContact O-N 2.8Å
106	Y	98.8	Very high	97.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-84.7	-49	178	-83.1	-103.3	0	0	0	112.4	T94 V102 I103 D104 G111 I112 L113 L122 M136 F147	T94-Y106 HydrophobicContact CG2-CE2 3.65Å; T94-Y106 WeakPolarHBondContact OG1-CE2 3.3Å; T94-Y106 PolarHBondContact OG1-OH 2.88Å; V102-Y106 HydrophobicContact CG1-CD2 3.84Å; V102-Y106 HydrophobicContact CG1-CE2 4Å; V102-Y106 VanDerWaalsContact O-CD2 3.27Å; V102-Y106 WeakPolarHBondContact O-CD2 3.3Å; V102-Y106 PolarHBondContact O-N 2.8Å; I103-Y106 PolarHBondContact O-N 2.8Å; D104-Y106 VanDerWaalsContact C-N 3.27Å; D104-Y106 PolarHBondContact O-N 2.89Å; Y106-G111 CarbonylContact O-C 3.53Å; Y106-I112 HydrophobicContact CD1-CD1 4.45Å; Y106-I112 HydrophobicContact CD2-CD1 4.27Å; Y106-I112 HydrophobicContact CE1-CD1 4.28Å; Y106-I112 HydrophobicContact CE2-CD1 4.09Å; Y106-I112 HydrophobicContact CG-CD1 4.46Å; Y106-I112 PolarHBondContact O-N 3.39Å; Y106-L113 HydrophobicContact CD1-CD2 4.33Å; Y106-L113 HydrophobicContact CD1-CG 4.38Å; Y106-L113 VanDerWaalsContact O-CB 3.25Å; Y106-L113 WeakPolarHBondContact O-CB 3.29Å; Y106-L113 VanDerWaalsContact O-CG 3.27Å; Y106-L113 WeakPolarHBondContact O-CG 3.27Å; Y106-L113 PolarHBondContact O-N 3.49Å; Y106-L122 HydrophobicContact CD1-CD1 4.3Å; Y106-L122 HydrophobicContact CE1-CB 4.01Å; Y106-L122 HydrophobicContact CE1-CD1 3.79Å; Y106-L122 HydrophobicContact CE1-CG 4.47Å; Y106-M136 VanDerWaalsContact CB-SD 3.56Å; Y106-M136 HydrophobicContact CG-SD 4.04Å; Y106-F147 HydrophobicContact CD1-CD2 4.49Å; Y106-F147 HydrophobicContact CD1-CE2 4.41Å; Y106-F147 AromaticContact CE1-CD2 3.7Å; Y106-F147 HydrophobicContact CE1-CD2 3.7Å; Y106-F147 AromaticContact CE1-CE2 3.64Å; Y106-F147 HydrophobicContact CE1-CE2 3.64Å; Y106-F147 HydrophobicContact CE2-CE2 4.31Å; Y106-F147 AromaticContact CZ-CE2 3.59Å
107	T	98.6	Very high	97.7	Very high	54 Å²	54	51 Å²	51	33%	0.331	28%	0.282	S	S	.	.	H	α-helix	trans	-107.3	-15.9	-164.6	71.4	0	0	0	0	114.6	I103 L113 K114 M136	I103-T107 WeakPolarHBondContact O-CB 3.43Å; I103-T107 PolarHBondContact O-N 3.15Å; I103-T107 PolarHBondContact O-OG1 2.8Å; T107-L113 HydrophobicContact CG2-CD1 4.18Å; T107-K114 WeakPolarHBondContact O-CE 3.27Å; T107-K114 PolarHBondContact O-NZ 2.92Å; T107-M136 HydrophobicContact CG2-CE 3.84Å; T107-M136 HydrophobicContact CG2-SD 3.86Å
108	G	98.3	Very high	97.9	Very high	10 Å²	10	55.9 Å²	55.9	10%	0.103	30%	0.295	C	S	.	.	S	Bend	trans	-60.3	172.2	-177.6	0	0	0	0	0	113.6	D104 N110 G111 K114	D104-G108 VanDerWaalsContact O-CA 3.22Å; D104-G108 WeakPolarHBondContact O-CA 3.29Å; D104-G108 PolarHBondContact O-N 3.13Å; G108-N110 PolarHBondContact O-N 2.9Å; G108-N110 VanDerWaalsContact O-N 3.13Å; G108-G111 PolarHBondContact O-N 3.31Å; G108-K114 WeakPolarHBondContact O-CE 3.34Å
109	P	97.9	Very high	98.1	Very high	108 Å²	108	56 Å²	56	70%	0.701	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-31.4	-173.3	22.8	-33.3	0	0	0	113.4
110	N	97.9	Very high	98.2	Very high	107 Å²	107	55.2 Å²	55.2	57%	0.572	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	26.8	174.9	-60.1	-38.3	0	0	0	112	P82 A83 G108	P82-N110 WeakPolarHBondContact CD-O 3.36Å; A83-N110 WeakPolarHBondContact CB-O 3.46Å; A83-N110 PolarHBondContact N-O 3.33Å; G108-N110 PolarHBondContact O-N 2.9Å; G108-N110 VanDerWaalsContact O-N 3.13Å
111	G	98.6	Very high	98.3	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	-78.1	164.5	-176.1	0	0	0	0	0	114	A83 V105 Y106 G108 L113 K114	A83-G111 WeakPolarHBondContact CB-O 3.47Å; V105-G111 CarbonylContact O-C 3.59Å; V105-G111 WeakPolarHBondContact O-CA 3.22Å; Y106-G111 CarbonylContact O-C 3.53Å; G108-G111 PolarHBondContact O-N 3.31Å; G111-L113 VanDerWaalsContact C-N 3.25Å; G111-L113 PolarHBondContact O-N 3.29Å; G111-K114 WeakPolarHBondContact O-CB 3.34Å; G111-K114 WeakPolarHBondContact O-CG 3.06Å; G111-K114 PolarHBondContact O-N 2.97Å
112	I	98.8	Very high	98.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-50.1	-45.7	-179.9	-68.2	170.3	0	0	0	111.3	V38 P82 A86 I92 T94 V105 Y106 K114 K115 V116 L122	V38-I112 HydrophobicContact CG2-CD1 4.36Å; P82-I112 HydrophobicContact CB-CG1 3.8Å; A86-I112 HydrophobicContact CB-CB 4.45Å; A86-I112 HydrophobicContact CB-CG2 3.96Å; A86-I112 WeakPolarHBondContact CB-O 3.27Å; I92-I112 HydrophobicContact CD1-CG2 3.93Å; I92-I112 HydrophobicContact CG2-CD1 4.05Å; T94-I112 HydrophobicContact CG2-CD1 3.52Å; V105-I112 HydrophobicContact CG1-CD1 3.79Å; V105-I112 HydrophobicContact CG1-CG1 4.23Å; V105-I112 PolarHBondContact O-N 2.8Å; Y106-I112 HydrophobicContact CD1-CD1 4.45Å; Y106-I112 HydrophobicContact CD2-CD1 4.27Å; Y106-I112 HydrophobicContact CE1-CD1 4.28Å; Y106-I112 HydrophobicContact CE2-CD1 4.09Å; Y106-I112 HydrophobicContact CG-CD1 4.46Å; Y106-I112 PolarHBondContact O-N 3.39Å; I112-K114 PolarHBondContact O-N 2.84Å; I112-K115 PolarHBondContact O-N 3.1Å; I112-V116 HydrophobicContact CG2-CB 4.39Å; I112-V116 WeakPolarHBondContact O-CB 3.48Å; I112-V116 PolarHBondContact O-N 3.03Å; I112-L122 HydrophobicContact CG2-CD1 4.14Å; I112-L122 HydrophobicContact CG2-CD2 3.91Å
113	L	98.6	Very high	98.4	Very high	23 Å²	23	48 Å²	48	12%	0.12	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-69	-6.9	-174.2	-59.4	-174.9	0	0	0	113.7	Y106 T107 G111 V116 L122 A139 A140 L143	Y106-L113 HydrophobicContact CD1-CD2 4.33Å; Y106-L113 HydrophobicContact CD1-CG 4.38Å; Y106-L113 VanDerWaalsContact O-CB 3.25Å; Y106-L113 WeakPolarHBondContact O-CB 3.29Å; Y106-L113 VanDerWaalsContact O-CG 3.27Å; Y106-L113 WeakPolarHBondContact O-CG 3.27Å; Y106-L113 PolarHBondContact O-N 3.49Å; T107-L113 HydrophobicContact CG2-CD1 4.18Å; G111-L113 VanDerWaalsContact C-N 3.25Å; G111-L113 PolarHBondContact O-N 3.29Å; L113-V116 HydrophobicContact CD2-CG1 4.11Å; L113-L122 HydrophobicContact CD2-CD1 3.99Å; L113-A139 HydrophobicContact CD1-CB 3.56Å; L113-A140 HydrophobicContact CD2-CB 4.22Å; L113-L143 HydrophobicContact CB-CD1 3.77Å; L113-L143 HydrophobicContact CD2-CD1 4.2Å; L113-L143 HydrophobicContact CG-CD1 4.43Å; L113-L143 WeakPolarHBondContact O-CD1 3.34Å
114	K	98.5	Very high	98.4	Very high	126 Å²	126	45.3 Å²	45.3	55%	0.548	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-76.9	-26.9	175.3	-57.2	-58.3	179.1	-170.8	0	113.4	A83 T107 G108 G111 I112	A83-K114 HydrophobicContact CB-CB 4.39Å; T107-K114 WeakPolarHBondContact O-CE 3.27Å; T107-K114 PolarHBondContact O-NZ 2.92Å; G108-K114 WeakPolarHBondContact O-CE 3.34Å; G111-K114 WeakPolarHBondContact O-CB 3.34Å; G111-K114 WeakPolarHBondContact O-CG 3.06Å; G111-K114 PolarHBondContact O-N 2.97Å; I112-K114 PolarHBondContact O-N 2.84Å
115	K	98.5	Very high	98.4	Very high	89 Å²	89	40.7 Å²	40.7	39%	0.387	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	8.5	-176.7	-66.6	-169.2	178.2	-179.6	0	113.6	A83 E87 I112	A83-K115 HydrophobicContact CB-CB 4.46Å; A83-K115 HydrophobicContact CB-CD 4.17Å; A83-K115 HydrophobicContact CB-CG 4.17Å; A83-K115 WeakPolarHBondContact O-CB 3.4Å; E87-K115 HydrophobicContact CB-CB 4.2Å; E87-K115 HydrophobicContact CB-CD 3.88Å; E87-K115 HydrophobicContact CG-CD 4.28Å; E87-K115 IonicContact OE1-NZ 2.77Å; E87-K115 WeakPolarHBondContact OE2-CD 3.5Å; E87-K115 IonicContact OE2-NZ 3.9Å; E87-K115 PolarHBondContact OE2-NZ 3.44Å; I112-K115 PolarHBondContact O-N 3.1Å
116	V	98.3	Very high	98.3	Very high	21 Å²	21	40 Å²	40	13%	0.127	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-59.1	140.2	177.2	70.9	0	0	0	0	111.1	I112 L113 L122 L143 A145	I112-V116 HydrophobicContact CG2-CB 4.39Å; I112-V116 WeakPolarHBondContact O-CB 3.48Å; I112-V116 PolarHBondContact O-N 3.03Å; L113-V116 HydrophobicContact CD2-CG1 4.11Å; V116-L122 HydrophobicContact CG2-CD1 4.26Å; V116-L122 HydrophobicContact CG2-CD2 4.12Å; V116-L143 HydrophobicContact CG1-CB 3.98Å; V116-L143 HydrophobicContact CG1-CD1 3.63Å; V116-L143 HydrophobicContact CG1-CG 4.45Å; V116-A145 HydrophobicContact CG2-CB 3.86Å
117	K	97.7	Very high	98.2	Very high	82 Å²	82	41.1 Å²	41.1	36%	0.357	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-92.2	152.8	178.4	-56.4	-176.7	-154	146.5	0	110.5	E87 D90 G119 S120	E87-K117 WeakPolarHBondContact O-CE 3.42Å; E87-K117 PolarHBondContact O-NZ 3.36Å; D90-K117 VanDerWaalsContact OD1-CD 3.28Å; D90-K117 WeakPolarHBondContact OD1-CD 3.42Å; D90-K117 WeakPolarHBondContact OD1-CE 3.02Å; D90-K117 IonicContact OD1-NZ 3.53Å; D90-K117 PolarHBondContact OD1-NZ 2.76Å; K117-G119 PolarHBondContact O-N 2.79Å; K117-S120 PolarHBondContact N-OG 3.46Å; K117-S120 VanDerWaalsContact O-CB 3.32Å; K117-S120 WeakPolarHBondContact O-CB 3.42Å; K117-S120 PolarHBondContact O-N 2.84Å; K117-S120 VanDerWaalsContact O-N 3.08Å; K117-S120 PolarHBondContact O-OG 3.3Å
118	K	97.8	Very high	98	Very high	187 Å²	187	38.5 Å²	38.5	81%	0.813	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	132.5	171.1	-173.4	174.8	-178.3	178.8	0	109.4	S120	K118-S120 VanDerWaalsContact C-N 3.34Å
119	G	96.6	Very high	97.8	Very high	30 Å²	30	40 Å²	40	31%	0.309	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	5.7	-175.7	0	0	0	0	0	114.4	R27 K117 G144	R27-G119 PolarHBondContact NH1-O 3.45Å; R27-G119 PolarHBondContact NH2-O 3.32Å; K117-G119 PolarHBondContact O-N 2.79Å; G119-G144 PolarHBondContact N-O 3.2Å
120	S	98.3	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.			trans	-63.4	143.1	172.7	-68.5	0	0	0	0	111.5	D90 K117 K118 V146	D90-S120 CarbonylContact O-C 3.57Å; D90-S120 WeakPolarHBondContact O-CA 3.42Å; D90-S120 WeakPolarHBondContact O-CB 3.4Å; K117-S120 PolarHBondContact N-OG 3.46Å; K117-S120 VanDerWaalsContact O-CB 3.32Å; K117-S120 WeakPolarHBondContact O-CB 3.42Å; K117-S120 PolarHBondContact O-N 2.84Å; K117-S120 VanDerWaalsContact O-N 3.08Å; K117-S120 PolarHBondContact O-OG 3.3Å; K118-S120 VanDerWaalsContact C-N 3.34Å; S120-V146 PolarHBondContact O-N 3.12Å
121	L	98.6	Very high	97.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.9	172	176.9	63.5	0	0	0	109.2	D90 R91 I92 I123 V146 M148 A177 A178	D90-L121 PolarHBondContact O-N 3.41Å; R91-L121 CarbonylContact C-O 3.59Å; R91-L121 VanDerWaalsContact CA-O 3.3Å; R91-L121 WeakPolarHBondContact CA-O 3.49Å; R91-L121 HydrophobicContact CG-CB 4.39Å; I92-L121 PolarHBondContact N-O 3.3Å; L121-I123 HydrophobicContact CD1-CG1 4.42Å; L121-I123 HydrophobicContact CD2-CD1 4.09Å; L121-I123 HydrophobicContact CD2-CG1 4.43Å; L121-I123 HydrophobicContact CG-CD1 4.26Å; L121-I123 HydrophobicContact CG-CG1 4.06Å; L121-V146 HydrophobicContact CD1-CB 4.17Å; L121-V146 HydrophobicContact CD1-CG1 3.82Å; L121-M148 HydrophobicContact CD1-CG 4.14Å; L121-M148 HydrophobicContact CD1-SD 4.04Å; L121-A177 HydrophobicContact CD2-CB 4.15Å; L121-A178 HydrophobicContact CD2-CB 4.43Å
122	L	98.9	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	121	-179.1	-48.8	179.6	0	0	0	108.8	I92 Y106 I112 L113 V116 A140 A145 V146 F147 M148	I92-L122 HydrophobicContact CB-CD2 3.97Å; I92-L122 HydrophobicContact CD1-CD2 3.74Å; I92-L122 HydrophobicContact CG1-CD2 4.08Å; Y106-L122 HydrophobicContact CD1-CD1 4.3Å; Y106-L122 HydrophobicContact CE1-CB 4.01Å; Y106-L122 HydrophobicContact CE1-CD1 3.79Å; Y106-L122 HydrophobicContact CE1-CG 4.47Å; I112-L122 HydrophobicContact CG2-CD1 4.14Å; I112-L122 HydrophobicContact CG2-CD2 3.91Å; L113-L122 HydrophobicContact CD2-CD1 3.99Å; V116-L122 HydrophobicContact CG2-CD1 4.26Å; V116-L122 HydrophobicContact CG2-CD2 4.12Å; L122-A140 HydrophobicContact CD1-CB 3.98Å; L122-A145 HydrophobicContact CD1-CB 4.26Å; L122-V146 WeakPolarHBondContact CB-O 3.49Å; L122-V146 PolarHBondContact N-O 2.83Å; L122-F147 HydrophobicContact CB-CD2 4.31Å; L122-F147 CarbonylContact O-C 3.59Å; L122-F147 WeakPolarHBondContact O-CA 3.39Å; L122-M148 PolarHBondContact O-N 2.91Å
123	I	98.9	Very high	97.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.3	-178.2	-54.9	172.5	0	0	0	108.9	I92 I93 T94 L121 M148 A150 A178 L181 L182	I92-I123 PolarHBondContact O-N 2.91Å; I93-I123 CarbonylContact C-O 3.55Å; I93-I123 VanDerWaalsContact CA-O 3.27Å; I93-I123 WeakPolarHBondContact CA-O 3.42Å; I93-I123 HydrophobicContact CG1-CB 4.25Å; T94-I123 PolarHBondContact N-O 3.14Å; L121-I123 HydrophobicContact CD1-CG1 4.42Å; L121-I123 HydrophobicContact CD2-CD1 4.09Å; L121-I123 HydrophobicContact CD2-CG1 4.43Å; L121-I123 HydrophobicContact CG-CD1 4.26Å; L121-I123 HydrophobicContact CG-CG1 4.06Å; I123-M148 CarbonylContact C-O 3.41Å; I123-M148 WeakPolarHBondContact CA-O 3.46Å; I123-A150 HydrophobicContact CG2-CB 3.49Å; I123-A150 VanDerWaalsContact CG2-CB 3.49Å; I123-A178 HydrophobicContact CD1-CB 3.94Å; I123-L181 HydrophobicContact CD1-CD1 4.46Å; I123-L182 HydrophobicContact CD1-CD2 4.4Å; I123-L182 HydrophobicContact CD1-CG 4.49Å; I123-L182 HydrophobicContact CG2-CD2 4.18Å
124	D	98.9	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.8	173.4	178.1	33.4	0	0	0	110.5	T94 S126 I128 F147 M148 A150	T94-D124 WeakPolarHBondContact OG1-CA 3.38Å; T94-D124 PolarHBondContact OG1-OD1 2.97Å; T94-D124 VanDerWaalsContact OG1-OD1 3.05Å; D124-S126 VanDerWaalsContact C-N 3.33Å; D124-S126 WeakPolarHBondContact OD1-CB 3.38Å; D124-S126 PolarHBondContact OD1-N 3.32Å; D124-S126 PolarHBondContact OD1-OG 3.38Å; D124-I128 VanDerWaalsContact OD2-CD1 3.29Å; D124-I128 WeakPolarHBondContact OD2-CD1 3.39Å; D124-F147 HydrophobicContact CB-CE2 3.89Å; D124-F147 HydrophobicContact CB-CZ 3.54Å; D124-M148 PolarHBondContact N-O 2.91Å; D124-A150 PolarHBondContact O-N 2.83Å
125	S	98.8	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.			trans	-91.1	1.7	176.7	-59.3	0	0	0	0	113.1	T94 A150	T94-S125 PolarHBondContact O-N 3.43Å; S125-A150 WeakPolarHBondContact CA-O 3.28Å
126	S	97.9	Very high	97.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-63.1	153.7	174.1	-46.6	0	0	0	0	110.9	L96 D124 Q199	L96-S126 WeakPolarHBondContact CB-OG 3.27Å; L96-S126 PolarHBondContact N-OG 2.87Å; L96-S126 WeakPolarHBondContact O-CB 3.37Å; L96-S126 PolarHBondContact O-OG 3.19Å; D124-S126 VanDerWaalsContact C-N 3.33Å; D124-S126 WeakPolarHBondContact OD1-CB 3.38Å; D124-S126 PolarHBondContact OD1-N 3.32Å; D124-S126 PolarHBondContact OD1-OG 3.38Å; S126-Q199 PolarHBondContact O-NE2 3.09Å; S126-Q199 PolarHBondContact O-OE1 2.88Å
127	T	95.9	Very high	97.6	Very high	24 Å²	24	33.8 Å²	33.8	15%	0.147	18%	0.175	C	C	.	.			trans	-96.2	110.5	167.1	-54.4	0	0	0	0	108.9	K202 K277 V278	T127-K202 HydrophobicContact CG2-CG 3.92Å; T127-K277 PolarHBondContact O-NZ 2.96Å; T127-V278 HydrophobicContact CG2-CG2 3.85Å
128	I	95.1	Very high	97.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.			trans	-138.1	176.7	-172.7	60.9	165.2	0	0	0	111.3	V102 D124 V132 S133 Q199	V102-I128 HydrophobicContact CB-CD1 4.37Å; V102-I128 HydrophobicContact CG1-CD1 4.1Å; V102-I128 HydrophobicContact CG2-CD1 4.3Å; V102-I128 HydrophobicContact CG2-CG2 3.77Å; D124-I128 VanDerWaalsContact OD2-CD1 3.29Å; D124-I128 WeakPolarHBondContact OD2-CD1 3.39Å; I128-V132 HydrophobicContact CD1-CB 4.07Å; I128-V132 HydrophobicContact CD1-CG1 3.84Å; I128-S133 WeakPolarHBondContact CD1-OG 3.35Å; I128-Q199 HydrophobicContact CG1-CG 4.31Å; I128-Q199 VanDerWaalsContact N-OE1 3.09Å; I128-Q199 PolarHBondContact O-OE1 3.39Å
129	D	93.9	Very high	97.7	Very high	40 Å²	40	25.6 Å²	25.6	21%	0.214	15%	0.15	C	C	.	.			trans	-63.4	131.3	172	-165.6	-64.4	0	0	0	110.4	S99 S131 V132 S133 F281	S99-D129 PolarHBondContact OG-N 3.34Å; D129-S131 VanDerWaalsContact CG-OG 3.26Å; D129-S131 PolarHBondContact O-N 3.45Å; D129-S131 VanDerWaalsContact OD1-CB 3.26Å; D129-S131 WeakPolarHBondContact OD1-CB 3.35Å; D129-S131 PolarHBondContact OD1-N 3.37Å; D129-S131 PolarHBondContact OD1-OG 3.06Å; D129-V132 HydrophobicContact CB-CG2 4.15Å; D129-V132 PolarHBondContact O-N 2.91Å; D129-S133 PolarHBondContact O-N 3.28Å; D129-F281 HydrophobicContact CB-CD1 3.86Å; D129-F281 HydrophobicContact CB-CE1 3.8Å
130	P	95.7	Very high	97.8	Very high	28 Å²	28	24.2 Å²	24.2	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-56.2	-30.4	177	-24.3	32.6	0	0	0	114.1	S133 K134 Q199 I203	P130-S133 PolarHBondContact O-N 2.81Å; P130-K134 WeakPolarHBondContact O-CG 3.37Å; P130-K134 PolarHBondContact O-N 2.91Å; P130-K134 VanDerWaalsContact O-N 3.16Å; P130-Q199 HydrophobicContact CB-CB 4.21Å; P130-Q199 HydrophobicContact CG-CB 3.83Å; P130-I203 HydrophobicContact CG-CD1 3.97Å
131	S	96.3	Very high	97.8	Very high	53 Å²	53	31 Å²	31	37%	0.371	17%	0.167	S	C	.	.	H	α-helix	trans	-64.1	-41.1	175.9	63.4	0	0	0	0	111.8	D129 S133 K134 E135	D129-S131 VanDerWaalsContact CG-OG 3.26Å; D129-S131 PolarHBondContact O-N 3.45Å; D129-S131 VanDerWaalsContact OD1-CB 3.26Å; D129-S131 WeakPolarHBondContact OD1-CB 3.35Å; D129-S131 PolarHBondContact OD1-N 3.37Å; D129-S131 PolarHBondContact OD1-OG 3.06Å; S131-S133 VanDerWaalsContact C-N 3.35Å; S131-S133 PolarHBondContact O-N 3.45Å; S131-K134 WeakPolarHBondContact O-CB 3.5Å; S131-K134 PolarHBondContact O-N 2.97Å; S131-K134 VanDerWaalsContact O-N 3.11Å; S131-E135 WeakPolarHBondContact O-CG 3.34Å; S131-E135 PolarHBondContact O-N 3.32Å
132	V	97.8	Very high	97.8	Very high	13 Å²	13	39 Å²	39	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-65.5	-38.8	176.8	175.8	0	0	0	0	110.9	I103 I128 D129 K134 E135 M136	I103-V132 HydrophobicContact CD1-CG1 3.91Å; I103-V132 HydrophobicContact CD1-CG2 4.16Å; I103-V132 HydrophobicContact CG1-CG1 3.64Å; I128-V132 HydrophobicContact CD1-CB 4.07Å; I128-V132 HydrophobicContact CD1-CG1 3.84Å; D129-V132 HydrophobicContact CB-CG2 4.15Å; D129-V132 PolarHBondContact O-N 2.91Å; V132-K134 VanDerWaalsContact C-N 3.3Å; V132-K134 PolarHBondContact O-N 3.1Å; V132-E135 PolarHBondContact O-N 3.49Å; V132-M136 HydrophobicContact CG1-CG 4.39Å; V132-M136 WeakPolarHBondContact O-CG 3.47Å; V132-M136 PolarHBondContact O-N 3.01Å
133	S	98.3	Very high	97.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.4	-42.3	171.9	-62.8	0	0	0	0	112	I128 D129 P130 S131 M136 A137 F147 V195 Q199	I128-S133 WeakPolarHBondContact CD1-OG 3.35Å; D129-S133 PolarHBondContact O-N 3.28Å; P130-S133 PolarHBondContact O-N 2.81Å; S131-S133 VanDerWaalsContact C-N 3.35Å; S131-S133 PolarHBondContact O-N 3.45Å; S133-M136 PolarHBondContact O-N 2.99Å; S133-A137 PolarHBondContact O-N 3.31Å; S133-F147 WeakPolarHBondContact O-CE1 3.45Å; S133-V195 WeakPolarHBondContact O-CG1 3.27Å; S133-Q199 WeakPolarHBondContact OG-CG 3.28Å
134	K	98.6	Very high	97.7	Very high	116 Å²	116	44.5 Å²	44.5	50%	0.504	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-41.5	176.8	-66.6	170	-175.3	177.2	0	111.9	P130 S131 V132 A137 V138 V195	P130-K134 WeakPolarHBondContact O-CG 3.37Å; P130-K134 PolarHBondContact O-N 2.91Å; P130-K134 VanDerWaalsContact O-N 3.16Å; S131-K134 WeakPolarHBondContact O-CB 3.5Å; S131-K134 PolarHBondContact O-N 2.97Å; S131-K134 VanDerWaalsContact O-N 3.11Å; V132-K134 VanDerWaalsContact C-N 3.3Å; V132-K134 PolarHBondContact O-N 3.1Å; K134-A137 PolarHBondContact O-N 2.88Å; K134-V138 WeakPolarHBondContact O-CG2 3.35Å; K134-V138 PolarHBondContact O-N 3.2Å; K134-V195 HydrophobicContact CG-CG1 4.32Å
135	E	98.4	Very high	97.7	Very high	111 Å²	111	44.8 Å²	44.8	52%	0.519	24%	0.241	S	C	.	.	H	α-helix	trans	-60.9	-45	175.5	-71.9	175.6	-170.1	0	0	111.9	S131 V132 A137 V138 A139	S131-E135 WeakPolarHBondContact O-CG 3.34Å; S131-E135 PolarHBondContact O-N 3.32Å; V132-E135 PolarHBondContact O-N 3.49Å; E135-A137 VanDerWaalsContact C-N 3.32Å; E135-A137 PolarHBondContact O-N 2.98Å; E135-V138 PolarHBondContact O-N 3.43Å; E135-A139 WeakPolarHBondContact O-CB 3.48Å; E135-A139 PolarHBondContact O-N 3.42Å
136	M	98.8	Very high	97.7	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.039	25%	0.25	C	S	.	.	H	α-helix	trans	-64.9	-36.8	177.3	-65.8	-53.1	93.7	0	0	111.8	V102 I103 Y106 T107 V132 S133 A139 A140 F147	V102-M136 HydrophobicContact CG1-CG 4.07Å; I103-M136 HydrophobicContact CG1-CE 4.19Å; Y106-M136 VanDerWaalsContact CB-SD 3.56Å; Y106-M136 HydrophobicContact CG-SD 4.04Å; T107-M136 HydrophobicContact CG2-CE 3.84Å; T107-M136 HydrophobicContact CG2-SD 3.86Å; V132-M136 HydrophobicContact CG1-CG 4.39Å; V132-M136 WeakPolarHBondContact O-CG 3.47Å; V132-M136 PolarHBondContact O-N 3.01Å; S133-M136 PolarHBondContact O-N 2.99Å; M136-A139 PolarHBondContact O-N 2.81Å; M136-A140 WeakPolarHBondContact O-CB 3.06Å; M136-A140 PolarHBondContact O-N 3.46Å; M136-F147 HydrophobicContact CB-CD2 3.91Å; M136-F147 HydrophobicContact CB-CE1 4.41Å; M136-F147 HydrophobicContact CB-CE2 3.54Å; M136-F147 HydrophobicContact CB-CG 4.48Å; M136-F147 HydrophobicContact CB-CZ 3.83Å; M136-F147 HydrophobicContact CG-CE2 4.36Å
137	A	98.8	Very high	97.7	Very high	16 Å²	16	46.8 Å²	46.8	13%	0.132	25%	0.252	C	S	.	.	H	α-helix	trans	-63	-46.9	174.5	0	0	0	0	0	112.8	S133 K134 E135 A139 A140 E141 F147 V195	S133-A137 PolarHBondContact O-N 3.31Å; K134-A137 PolarHBondContact O-N 2.88Å; E135-A137 VanDerWaalsContact C-N 3.32Å; E135-A137 PolarHBondContact O-N 2.98Å; A137-A139 VanDerWaalsContact C-N 3.28Å; A137-A139 PolarHBondContact O-N 2.56Å; A137-A140 PolarHBondContact O-N 2.85Å; A137-E141 WeakPolarHBondContact O-CB 3.43Å; A137-E141 PolarHBondContact O-N 3.42Å; A137-F147 HydrophobicContact CB-CB 3.84Å; A137-F147 HydrophobicContact CB-CD1 3.87Å; A137-F147 HydrophobicContact CB-CG 4.1Å; A137-V195 HydrophobicContact CB-CB 4.33Å; A137-V195 HydrophobicContact CB-CG1 3.88Å; A137-V195 HydrophobicContact CB-CG2 3.94Å
138	V	98.7	Very high	97.9	Very high	72 Å²	72	45.6 Å²	45.6	44%	0.436	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-39.4	175.4	171.3	0	0	0	0	111.2	K134 E135 K142	K134-V138 WeakPolarHBondContact O-CG2 3.35Å; K134-V138 PolarHBondContact O-N 3.2Å; E135-V138 PolarHBondContact O-N 3.43Å; V138-K142 WeakPolarHBondContact O-CG 3.34Å; V138-K142 PolarHBondContact O-N 3.3Å
139	A	98.6	Very high	98.1	Very high	26 Å²	26	45.6 Å²	45.6	22%	0.215	25%	0.245	C	C	.	.	H	α-helix	trans	-67.4	-40.5	178	0	0	0	0	0	112.5	L113 E135 M136 A137	L113-A139 HydrophobicContact CD1-CB 3.56Å; E135-A139 WeakPolarHBondContact O-CB 3.48Å; E135-A139 PolarHBondContact O-N 3.42Å; M136-A139 PolarHBondContact O-N 2.81Å; A137-A139 VanDerWaalsContact C-N 3.28Å; A137-A139 PolarHBondContact O-N 2.56Å
140	A	98.6	Very high	98.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.7	-41.9	176.3	0	0	0	0	0	112.2	L113 L122 M136 A137 K142 L143 G144 A145 F147	L113-A140 HydrophobicContact CD2-CB 4.22Å; L122-A140 HydrophobicContact CD1-CB 3.98Å; M136-A140 WeakPolarHBondContact O-CB 3.06Å; M136-A140 PolarHBondContact O-N 3.46Å; A137-A140 PolarHBondContact O-N 2.85Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.08Å; A140-L143 CarbonylContact O-C 3.59Å; A140-L143 PolarHBondContact O-N 3.02Å; A140-G144 PolarHBondContact O-N 3.05Å; A140-A145 CarbonylContact C-O 3.47Å; A140-A145 HydrophobicContact CB-CB 4.25Å; A140-A145 PolarHBondContact O-N 3.31Å; A140-F147 HydrophobicContact CB-CB 4.09Å
141	E	98.3	Very high	98.4	Very high	142 Å²	142	42.4 Å²	42.4	66%	0.664	23%	0.226	S	C	*	.	H	α-helix	trans	-61.7	-38.5	-179.1	-174.8	-179.4	-167.9	0	0	112.1	A137 L143 G144	A137-E141 WeakPolarHBondContact O-CB 3.43Å; A137-E141 PolarHBondContact O-N 3.42Å; E141-L143 PolarHBondContact O-N 3.14Å; E141-L143 VanDerWaalsContact O-N 3.1Å; E141-G144 WeakPolarHBondContact O-CA 3.42Å; E141-G144 PolarHBondContact O-N 3.34Å
142	K	98.4	Very high	98.5	Very high	170 Å²	170	40.2 Å²	40.2	74%	0.739	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.6	174.5	-74.1	171.8	-176.8	175.5	0	113.6	V138 A140	V138-K142 WeakPolarHBondContact O-CG 3.34Å; V138-K142 PolarHBondContact O-N 3.3Å; A140-K142 VanDerWaalsContact C-N 3.32Å; A140-K142 PolarHBondContact O-N 3.08Å
143	L	98.4	Very high	98.3	Very high	84 Å²	84	41.3 Å²	41.3	44%	0.44	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	4.3	177	-60.1	174.8	0	0	0	112.3	L113 V116 A140 E141 A145	L113-L143 HydrophobicContact CB-CD1 3.77Å; L113-L143 HydrophobicContact CD2-CD1 4.2Å; L113-L143 HydrophobicContact CG-CD1 4.43Å; L113-L143 WeakPolarHBondContact O-CD1 3.34Å; V116-L143 HydrophobicContact CG1-CB 3.98Å; V116-L143 HydrophobicContact CG1-CD1 3.63Å; V116-L143 HydrophobicContact CG1-CG 4.45Å; A140-L143 CarbonylContact O-C 3.59Å; A140-L143 PolarHBondContact O-N 3.02Å; E141-L143 PolarHBondContact O-N 3.14Å; E141-L143 VanDerWaalsContact O-N 3.1Å; L143-A145 VanDerWaalsContact C-N 3.32Å
144	G	98.1	Very high	97.8	Very high	32 Å²	32	43.7 Å²	43.7	33%	0.33	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	23.4	-178.3	0	0	0	0	0	113.7	G119 A140 E141	G119-G144 PolarHBondContact N-O 3.2Å; A140-G144 PolarHBondContact O-N 3.05Å; E141-G144 WeakPolarHBondContact O-CA 3.42Å; E141-G144 PolarHBondContact O-N 3.34Å
145	A	98.5	Very high	97.3	Very high	6 Å²	6	39.7 Å²	39.7	5%	0.05	24%	0.236	C	C	.	.			trans	-98.6	160.9	171.1	0	0	0	0	0	110.8	V116 L122 A140 L143	V116-A145 HydrophobicContact CG2-CB 3.86Å; L122-A145 HydrophobicContact CD1-CB 4.26Å; A140-A145 CarbonylContact C-O 3.47Å; A140-A145 HydrophobicContact CB-CB 4.25Å; A140-A145 PolarHBondContact O-N 3.31Å; L143-A145 VanDerWaalsContact C-N 3.32Å
146	V	98.5	Very high	96.8	Very high	32 Å²	32	37.4 Å²	37.4	19%	0.194	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135	176.8	175.4	0	0	0	0	108.8	S120 L121 L122 M148 E174	S120-V146 PolarHBondContact O-N 3.12Å; L121-V146 HydrophobicContact CD1-CB 4.17Å; L121-V146 HydrophobicContact CD1-CG1 3.82Å; L122-V146 WeakPolarHBondContact CB-O 3.49Å; L122-V146 PolarHBondContact N-O 2.83Å; V146-M148 HydrophobicContact CG1-CG 4.29Å; V146-E174 HydrophobicContact CB-CG 4.45Å; V146-E174 HydrophobicContact CG1-CB 4Å; V146-E174 HydrophobicContact CG1-CG 3.73Å; V146-E174 HydrophobicContact CG2-CG 4.03Å
147	F	98.8	Very high	96.3	Very high	9 Å²	9	39.7 Å²	39.7	4%	0.039	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.4	172.6	-177.1	-84.5	0	0	0	110.9	Y106 L122 D124 S133 M136 A137 A140 D149 V195	Y106-F147 HydrophobicContact CD1-CD2 4.49Å; Y106-F147 HydrophobicContact CD1-CE2 4.41Å; Y106-F147 AromaticContact CE1-CD2 3.7Å; Y106-F147 HydrophobicContact CE1-CD2 3.7Å; Y106-F147 AromaticContact CE1-CE2 3.64Å; Y106-F147 HydrophobicContact CE1-CE2 3.64Å; Y106-F147 HydrophobicContact CE2-CE2 4.31Å; Y106-F147 AromaticContact CZ-CE2 3.59Å; L122-F147 HydrophobicContact CB-CD2 4.31Å; L122-F147 CarbonylContact O-C 3.59Å; L122-F147 WeakPolarHBondContact O-CA 3.39Å; D124-F147 HydrophobicContact CB-CE2 3.89Å; D124-F147 HydrophobicContact CB-CZ 3.54Å; S133-F147 WeakPolarHBondContact O-CE1 3.45Å; M136-F147 HydrophobicContact CB-CD2 3.91Å; M136-F147 HydrophobicContact CB-CE1 4.41Å; M136-F147 HydrophobicContact CB-CE2 3.54Å; M136-F147 HydrophobicContact CB-CG 4.48Å; M136-F147 HydrophobicContact CB-CZ 3.83Å; M136-F147 HydrophobicContact CG-CE2 4.36Å; A137-F147 HydrophobicContact CB-CB 3.84Å; A137-F147 HydrophobicContact CB-CD1 3.87Å; A137-F147 HydrophobicContact CB-CG 4.1Å; A140-F147 HydrophobicContact CB-CB 4.09Å; F147-D149 HydrophobicContact CE1-CB 4.34Å; F147-V195 HydrophobicContact CD1-CG1 4.11Å; F147-V195 HydrophobicContact CE1-CG1 4.27Å
148	M	98.9	Very high	96	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.9	171.6	-56.3	-169.1	83.3	0	0	109.9	L121 L122 I123 D124 V146 V168 G169 E174 F175 A178	L121-M148 HydrophobicContact CD1-CG 4.14Å; L121-M148 HydrophobicContact CD1-SD 4.04Å; L122-M148 PolarHBondContact O-N 2.91Å; I123-M148 CarbonylContact C-O 3.41Å; I123-M148 WeakPolarHBondContact CA-O 3.46Å; D124-M148 PolarHBondContact N-O 2.91Å; V146-M148 HydrophobicContact CG1-CG 4.29Å; M148-V168 HydrophobicContact CB-CG1 4.41Å; M148-V168 HydrophobicContact CE-CG1 3.55Å; M148-V168 HydrophobicContact SD-CG1 4.35Å; M148-G169 CarbonylContact C-O 3.59Å; M148-G169 VanDerWaalsContact CA-O 3.23Å; M148-G169 WeakPolarHBondContact CA-O 3.44Å; M148-G169 WeakPolarHBondContact CB-O 3.28Å; M148-E174 HydrophobicContact SD-CB 4.15Å; M148-F175 HydrophobicContact CE-CB 4.36Å; M148-A178 HydrophobicContact CE-CB 4.43Å; M148-A178 HydrophobicContact SD-CB 3.53Å; M148-A178 VanDerWaalsContact SD-CB 3.53Å
149	D	98.8	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.8	165.8	58.5	-63.1	0	0	0	109.5	F147 V168 G169 V195 G196 G198 Q199	F147-D149 HydrophobicContact CE1-CB 4.34Å; D149-V168 CarbonylContact O-C 3.46Å; D149-V168 VanDerWaalsContact O-CA 3.27Å; D149-V168 WeakPolarHBondContact O-CA 3.47Å; D149-G169 PolarHBondContact N-O 2.71Å; D149-G169 VanDerWaalsContact N-O 3.11Å; D149-G169 PolarHBondContact O-N 3.12Å; D149-G169 VanDerWaalsContact OD1-CA 3.31Å; D149-G169 WeakPolarHBondContact OD1-CA 3.43Å; D149-V195 WeakPolarHBondContact OD1-CA 3.49Å; D149-G196 VanDerWaalsContact CG-N 3.32Å; D149-G196 PolarHBondContact OD1-N 3.42Å; D149-G196 WeakPolarHBondContact OD2-CA 3.39Å; D149-G196 PolarHBondContact OD2-N 2.84Å; D149-G198 VanDerWaalsContact OD2-CA 3.23Å; D149-G198 WeakPolarHBondContact OD2-CA 3.39Å; D149-G198 PolarHBondContact OD2-N 3.46Å; D149-Q199 HydrophobicContact CB-CG 4.03Å; D149-Q199 PolarHBondContact OD2-N 2.98Å
150	A	98.8	Very high	95.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	25%	0.246	C	C	.	.			trans	-139.2	54.6	-178.4	0	0	0	0	0	112.2	I123 D124 S125 F166 M167 V168 L182	I123-A150 HydrophobicContact CG2-CB 3.49Å; I123-A150 VanDerWaalsContact CG2-CB 3.49Å; D124-A150 PolarHBondContact O-N 2.83Å; S125-A150 WeakPolarHBondContact CA-O 3.28Å; A150-F166 HydrophobicContact CB-CD1 4.15Å; A150-F166 WeakPolarHBondContact O-CD1 3.48Å; A150-M167 WeakPolarHBondContact CA-O 3.46Å; A150-V168 HydrophobicContact CB-CG1 4.48Å; A150-V168 HydrophobicContact CB-CG2 4.06Å; A150-L182 HydrophobicContact CB-CD1 3.87Å
151	P	98.5	Very high	95.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	27%	0.269	C	S	.	.			trans	-57.4	151.5	178.7	26.4	-38.3	0	0	0	112.5	M167 G198 K202	P151-M167 WeakPolarHBondContact CD-O 3.16Å; P151-M167 HydrophobicContact CG-CB 4.48Å; P151-M167 WeakPolarHBondContact O-CE 3.43Å; P151-M167 PolarHBondContact O-N 3.42Å; P151-M167 VanDerWaalsContact O-N 3.12Å; P151-G198 VanDerWaalsContact CG-O 3.27Å; P151-G198 WeakPolarHBondContact CG-O 3.42Å; P151-K202 HydrophobicContact CB-CB 3.95Å; P151-K202 HydrophobicContact CB-CG 3.97Å; P151-K202 HydrophobicContact CG-CB 3.8Å; P151-K202 HydrophobicContact CG-CG 4.39Å
152	V	97.4	Very high	95.5	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	151.7	-170.8	-63.9	0	0	0	0	113.9	M43 M47 M95 L164 T165 F166 K202	M43-V152 HydrophobicContact CE-CG2 3.8Å; M47-V152 HydrophobicContact CE-CG1 4.48Å; M95-V152 HydrophobicContact CE-CG2 3.63Å; V152-L164 HydrophobicContact CB-CD1 4.36Å; V152-L164 HydrophobicContact CB-CD2 4.31Å; V152-L164 HydrophobicContact CG1-CD1 4.17Å; V152-T165 CarbonylContact C-O 3.59Å; V152-T165 VanDerWaalsContact CA-O 3.3Å; V152-T165 WeakPolarHBondContact CA-O 3.25Å; V152-F166 HydrophobicContact CG1-CD1 3.43Å; V152-F166 VanDerWaalsContact CG1-CD1 3.43Å; V152-F166 HydrophobicContact CG1-CE1 3.15Å; V152-F166 HydrophobicContact CG1-CE2 4.34Å; V152-F166 HydrophobicContact CG1-CG 4.13Å; V152-F166 HydrophobicContact CG1-CZ 3.66Å; V152-K202 VanDerWaalsContact O-CE 3.25Å; V152-K202 WeakPolarHBondContact O-CE 3.26Å; V152-K202 PolarHBondContact O-NZ 3.23Å
153	S	93.6	Very high	95.5	Very high	35 Å²	35	34 Å²	34	25%	0.245	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.5	167	-155	0	0	0	0	111.8	L164 T165 K202	S153-L164 WeakPolarHBondContact O-CD2 3.3Å; S153-T165 PolarHBondContact N-O 3.41Å; S153-T165 PolarHBondContact O-N 3.23Å; S153-K202 PolarHBondContact OG-NZ 2.85Å
154	G	88.6	Confident	95.5	Very high	51 Å²	51	30 Å²	30	53%	0.526	22%	0.217	S	C	.	.	S	Bend	trans	122.8	-13.4	178.3	0	0	0	0	0	115.8	A158	G154-A158 VanDerWaalsContact C-CB 3.47Å; G154-A158 VanDerWaalsContact O-CB 3.24Å; G154-A158 WeakPolarHBondContact O-CB 3.49Å
155	G	88.1	Confident	95.5	Very high	32 Å²	32	30.5 Å²	30.5	33%	0.33	21%	0.214	S	C	.	.	H	α-helix	trans	68.5	-171.1	177	0	0	0	0	0	114.5	G157 A158 A159	G155-G157 VanDerWaalsContact C-N 3.33Å; G155-G157 PolarHBondContact O-N 2.83Å; G155-A158 PolarHBondContact O-N 3.31Å; G155-A159 PolarHBondContact O-N 3.01Å
156	V	88.6	Confident	95.5	Very high	63 Å²	63	30.2 Å²	30.2	38%	0.382	21%	0.211	S	C	.	.	H	α-helix	trans	-61.6	-38.2	-171.6	-178.4	0	0	0	0	112.3	N42 M43 A158 A159 S160	N42-V156 HydrophobicContact CB-CG2 4.04Å; M43-V156 HydrophobicContact SD-CG2 4.02Å; V156-A158 PolarHBondContact O-N 2.95Å; V156-A159 WeakPolarHBondContact O-CB 3.42Å; V156-A159 PolarHBondContact O-N 3.22Å; V156-S160 PolarHBondContact O-N 2.9Å; V156-S160 PolarHBondContact O-OG 3.28Å
157	G	87.1	Confident	95.5	Very high	55 Å²	55	29.6 Å²	29.6	57%	0.567	21%	0.206	S	C	*	.	H	α-helix	trans	-62.8	-41.5	177.3	0	0	0	0	0	113.1	G155 S161	G155-G157 VanDerWaalsContact C-N 3.33Å; G155-G157 PolarHBondContact O-N 2.83Å; G157-S161 WeakPolarHBondContact O-CB 3.48Å; G157-S161 PolarHBondContact O-N 2.86Å; G157-S161 VanDerWaalsContact O-N 3.09Å; G157-S161 PolarHBondContact O-OG 3.02Å
158	A	93	Very high	95.5	Very high	15 Å²	15	29.1 Å²	29.1	12%	0.124	21%	0.205	C	C	.	.	H	α-helix	trans	-70.8	-35.2	174.2	0	0	0	0	0	111.9	G154 G155 V156 S161 G162 K163 L164	G154-A158 VanDerWaalsContact C-CB 3.47Å; G154-A158 VanDerWaalsContact O-CB 3.24Å; G154-A158 WeakPolarHBondContact O-CB 3.49Å; G155-A158 PolarHBondContact O-N 3.31Å; V156-A158 PolarHBondContact O-N 2.95Å; A158-S161 WeakPolarHBondContact CA-OG 3.2Å; A158-S161 PolarHBondContact O-N 3.05Å; A158-S161 PolarHBondContact O-OG 3.47Å; A158-G162 PolarHBondContact O-N 3.07Å; A158-K163 PolarHBondContact O-N 3.1Å; A158-L164 HydrophobicContact CB-CD2 3.83Å; A158-L164 HydrophobicContact CB-CG 4.38Å
159	A	94.9	Very high	95.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.3	-48.9	174.8	0	0	0	0	0	111.2	M43 P46 M47 N50 G155 V156 S161 G162 L164	M43-A159 HydrophobicContact CE-CB 3.9Å; M43-A159 HydrophobicContact SD-CB 4.24Å; P46-A159 HydrophobicContact CB-CB 4.19Å; P46-A159 HydrophobicContact CG-CB 3.76Å; M47-A159 HydrophobicContact CG-CB 4.47Å; N50-A159 PolarHBondContact ND2-O 3.04Å; G155-A159 PolarHBondContact O-N 3.01Å; V156-A159 WeakPolarHBondContact O-CB 3.42Å; V156-A159 PolarHBondContact O-N 3.22Å; A159-S161 PolarHBondContact O-N 2.68Å; A159-G162 PolarHBondContact O-N 3.31Å; A159-L164 HydrophobicContact CB-CD1 4.01Å; A159-L164 HydrophobicContact CB-CD2 4.13Å; A159-L164 HydrophobicContact CB-CG 4.27Å
160	S	94.9	Very high	95.5	Very high	70 Å²	70	29.1 Å²	29.1	49%	0.49	21%	0.205	S	C	.	.	H	α-helix	trans	-65.5	-38.1	178.6	-61.2	0	0	0	0	112.8	V156 G162	V156-S160 PolarHBondContact O-N 2.9Å; V156-S160 PolarHBondContact O-OG 3.28Å; S160-G162 VanDerWaalsContact C-N 3.32Å; S160-G162 PolarHBondContact O-N 2.59Å
161	S	96.3	Very high	95.4	Very high	68 Å²	68	30.6 Å²	30.6	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-83.5	-2.3	-179.3	58.3	0	0	0	0	114.8	G157 A158 A159 K163	G157-S161 WeakPolarHBondContact O-CB 3.48Å; G157-S161 PolarHBondContact O-N 2.86Å; G157-S161 VanDerWaalsContact O-N 3.09Å; G157-S161 PolarHBondContact O-OG 3.02Å; A158-S161 WeakPolarHBondContact CA-OG 3.2Å; A158-S161 PolarHBondContact O-N 3.05Å; A158-S161 PolarHBondContact O-OG 3.47Å; A159-S161 PolarHBondContact O-N 2.68Å; S161-K163 VanDerWaalsContact C-N 3.31Å
162	G	97.6	Very high	95.4	Very high	15 Å²	15	36.8 Å²	36.8	16%	0.155	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.4	28.9	-177.9	0	0	0	0	0	113.1	N50 A158 A159 S160 M185 G186 A187	N50-G162 PolarHBondContact ND2-N 3.17Å; A158-G162 PolarHBondContact O-N 3.07Å; A159-G162 PolarHBondContact O-N 3.31Å; S160-G162 VanDerWaalsContact C-N 3.32Å; S160-G162 PolarHBondContact O-N 2.59Å; G162-M185 CarbonylContact C-O 3.6Å; G162-M185 VanDerWaalsContact C-O 3.32Å; G162-M185 WeakPolarHBondContact CA-O 3.37Å; G162-G186 CarbonylContact O-C 3.5Å; G162-G186 VanDerWaalsContact O-C 3.32Å; G162-G186 WeakPolarHBondContact O-CA 3.32Å; G162-G186 PolarHBondContact O-N 3.45Å; G162-A187 PolarHBondContact O-N 3.2Å
163	K	97.9	Very high	95.4	Very high	139 Å²	139	43.6 Å²	43.6	60%	0.604	28%	0.277	S	S	*	.			trans	-116.6	21.1	-174.1	-64.8	-175.3	179.4	-179.8	0	113.4	A158 S161 A187	A158-K163 PolarHBondContact O-N 3.1Å; S161-K163 VanDerWaalsContact C-N 3.31Å; K163-A187 HydrophobicContact CB-CB 4.23Å; K163-A187 HydrophobicContact CG-CB 4.42Å
164	L	98.2	Very high	95.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	155.9	172.8	-66.5	169.7	0	0	0	111.8	M43 M47 V152 S153 A158 A159 F166 G186 A187 N188	M43-L164 HydrophobicContact CE-CD1 4.47Å; M43-L164 HydrophobicContact CE-CD2 3.76Å; M47-L164 HydrophobicContact CG-CD1 3.76Å; M47-L164 HydrophobicContact SD-CD1 3.92Å; V152-L164 HydrophobicContact CB-CD1 4.36Å; V152-L164 HydrophobicContact CB-CD2 4.31Å; V152-L164 HydrophobicContact CG1-CD1 4.17Å; S153-L164 WeakPolarHBondContact O-CD2 3.3Å; A158-L164 HydrophobicContact CB-CD2 3.83Å; A158-L164 HydrophobicContact CB-CG 4.38Å; A159-L164 HydrophobicContact CB-CD1 4.01Å; A159-L164 HydrophobicContact CB-CD2 4.13Å; A159-L164 HydrophobicContact CB-CG 4.27Å; L164-F166 HydrophobicContact CB-CD2 4.33Å; L164-F166 HydrophobicContact CB-CE2 3.87Å; L164-F166 HydrophobicContact CB-CZ 4.43Å; L164-F166 HydrophobicContact CD1-CE2 4.32Å; L164-F166 HydrophobicContact CD1-CZ 4.12Å; L164-G186 CarbonylContact O-C 3.32Å; L164-G186 WeakPolarHBondContact O-CA 3.17Å; L164-A187 PolarHBondContact O-N 3.1Å; L164-N188 PolarHBondContact O-N 3.35Å
165	T	98.6	Very high	96	Very high	42 Å²	42	42.9 Å²	42.9	26%	0.258	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.6	163.5	-62.7	0	0	0	0	108.8	V152 S153 N188	V152-T165 CarbonylContact C-O 3.59Å; V152-T165 VanDerWaalsContact CA-O 3.3Å; V152-T165 WeakPolarHBondContact CA-O 3.25Å; S153-T165 PolarHBondContact N-O 3.41Å; S153-T165 PolarHBondContact O-N 3.23Å; T165-N188 CarbonylContact C-O 3.5Å; T165-N188 WeakPolarHBondContact CA-O 3.23Å; T165-N188 HydrophobicContact CG2-CB 3.94Å; T165-N188 PolarHBondContact OG1-ND2 3.45Å
166	F	98.8	Very high	96.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	131.2	173.7	-70.1	-93	0	0	0	110.1	M47 A150 V152 L164 V168 L182 M185 N188 V189 V190	M47-F166 HydrophobicContact CE-CE1 4.1Å; M47-F166 HydrophobicContact CE-CZ 4.05Å; A150-F166 HydrophobicContact CB-CD1 4.15Å; A150-F166 WeakPolarHBondContact O-CD1 3.48Å; V152-F166 HydrophobicContact CG1-CD1 3.43Å; V152-F166 VanDerWaalsContact CG1-CD1 3.43Å; V152-F166 HydrophobicContact CG1-CE1 3.15Å; V152-F166 HydrophobicContact CG1-CE2 4.34Å; V152-F166 HydrophobicContact CG1-CG 4.13Å; V152-F166 HydrophobicContact CG1-CZ 3.66Å; L164-F166 HydrophobicContact CB-CD2 4.33Å; L164-F166 HydrophobicContact CB-CE2 3.87Å; L164-F166 HydrophobicContact CB-CZ 4.43Å; L164-F166 HydrophobicContact CD1-CE2 4.32Å; L164-F166 HydrophobicContact CD1-CZ 4.12Å; F166-V168 HydrophobicContact CB-CG2 4.13Å; F166-L182 HydrophobicContact CB-CD1 4.15Å; F166-L182 HydrophobicContact CD1-CB 4.38Å; F166-L182 HydrophobicContact CD1-CD1 4.01Å; F166-L182 HydrophobicContact CD1-CD2 3.72Å; F166-L182 HydrophobicContact CD1-CG 4.23Å; F166-L182 HydrophobicContact CD2-CB 4.07Å; F166-L182 HydrophobicContact CE1-CD2 3.57Å; F166-L182 HydrophobicContact CE1-CG 4.49Å; F166-L182 HydrophobicContact CE2-CB 4.33Å; F166-L182 WeakPolarHBondContact CE2-O 3.34Å; F166-L182 HydrophobicContact CG-CB 4.11Å; F166-L182 HydrophobicContact CG-CD1 4.12Å; F166-L182 HydrophobicContact CG-CD2 4.31Å; F166-L182 HydrophobicContact CG-CG 4.4Å; F166-L182 HydrophobicContact CZ-CD2 4.04Å; F166-M185 HydrophobicContact CE1-CE 4.48Å; F166-M185 HydrophobicContact CE2-CB 4.02Å; F166-M185 HydrophobicContact CZ-CB 3.94Å; F166-M185 HydrophobicContact CZ-CE 3.97Å; F166-N188 PolarHBondContact N-O 3.1Å; F166-V189 HydrophobicContact CB-CG1 4.23Å; F166-V189 HydrophobicContact CB-CG2 4.39Å; F166-V189 HydrophobicContact CD2-CG2 4.28Å; F166-V190 PolarHBondContact O-N 3.16Å
167	M	98.8	Very high	96.8	Very high	19 Å²	19	44.5 Å²	44.5	9%	0.094	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	108.4	173.9	-71.8	152.8	-74.9	0	0	107.7	A150 P151 G198 A201 K202	A150-M167 WeakPolarHBondContact CA-O 3.46Å; P151-M167 WeakPolarHBondContact CD-O 3.16Å; P151-M167 HydrophobicContact CG-CB 4.48Å; P151-M167 WeakPolarHBondContact O-CE 3.43Å; P151-M167 PolarHBondContact O-N 3.42Å; P151-M167 VanDerWaalsContact O-N 3.12Å; M167-G198 VanDerWaalsContact O-CA 3.27Å; M167-G198 WeakPolarHBondContact O-CA 3.46Å; M167-A201 HydrophobicContact CB-CB 4.36Å; M167-A201 HydrophobicContact CG-CB 4.28Å; M167-A201 HydrophobicContact SD-CB 4.14Å; M167-K202 HydrophobicContact CE-CB 3.95Å; M167-K202 HydrophobicContact CE-CD 3.55Å; M167-K202 HydrophobicContact CE-CG 4.31Å; M167-K202 HydrophobicContact SD-CB 4.08Å; M167-K202 HydrophobicContact SD-CD 4.46Å
168	V	98.9	Very high	97.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.1	-162.6	-171.8	0	0	0	0	111.5	M148 D149 A150 F166 F175 L182 V189 V190 C192	M148-V168 HydrophobicContact CB-CG1 4.41Å; M148-V168 HydrophobicContact CE-CG1 3.55Å; M148-V168 HydrophobicContact SD-CG1 4.35Å; D149-V168 CarbonylContact O-C 3.46Å; D149-V168 VanDerWaalsContact O-CA 3.27Å; D149-V168 WeakPolarHBondContact O-CA 3.47Å; A150-V168 HydrophobicContact CB-CG1 4.48Å; A150-V168 HydrophobicContact CB-CG2 4.06Å; F166-V168 HydrophobicContact CB-CG2 4.13Å; V168-F175 HydrophobicContact CB-CD2 4.05Å; V168-F175 HydrophobicContact CB-CE2 3.87Å; V168-F175 HydrophobicContact CG1-CD2 3.97Å; V168-F175 HydrophobicContact CG1-CE2 4.27Å; V168-F175 HydrophobicContact CG2-CE2 4Å; V168-L182 HydrophobicContact CG2-CD1 3.65Å; V168-V189 HydrophobicContact CG2-CG1 3.78Å; V168-V190 PolarHBondContact N-O 3.26Å; V168-C192 PolarHBondContact O-N 2.87Å
169	G	98.8	Very high	97.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.8	168.5	0	0	0	0	0	111.8	M148 D149 G193	M148-G169 CarbonylContact C-O 3.59Å; M148-G169 VanDerWaalsContact CA-O 3.23Å; M148-G169 WeakPolarHBondContact CA-O 3.44Å; M148-G169 WeakPolarHBondContact CB-O 3.28Å; D149-G169 PolarHBondContact N-O 2.71Å; D149-G169 VanDerWaalsContact N-O 3.11Å; D149-G169 PolarHBondContact O-N 3.12Å; D149-G169 VanDerWaalsContact OD1-CA 3.31Å; D149-G169 WeakPolarHBondContact OD1-CA 3.43Å; G169-G193 CarbonylContact C-O 3.55Å; G169-G193 WeakPolarHBondContact CA-O 3.48Å
170	G	98.4	Very high	97.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.	S	Bend	trans	158.8	-172.8	179.1	0	0	0	0	0	113.8	E172 Y191 G193	G170-E172 PolarHBondContact O-N 3.1Å; G170-Y191 WeakPolarHBondContact O-CE2 3.08Å; G170-Y191 PolarHBondContact O-OH 3.37Å; G170-G193 PolarHBondContact N-O 2.77Å; G170-G193 VanDerWaalsContact O-O 3.06Å
171	A	97.3	Very high	97.8	Very high	30 Å²	30	45.8 Å²	45.8	25%	0.248	24%	0.241	C	C	.	.			trans	-60.8	129.7	170.2	0	0	0	0	0	109.9	E173 E174 F175	A171-E173 VanDerWaalsContact C-N 3.3Å; A171-E173 HydrophobicContact CB-CG 4.29Å; A171-E173 PolarHBondContact O-N 3.48Å; A171-E174 HydrophobicContact CB-CG 4.28Å; A171-E174 PolarHBondContact O-N 2.7Å; A171-F175 PolarHBondContact O-N 3.44Å
172	E	97.4	Very high	97.9	Very high	130 Å²	130	42.6 Å²	42.6	61%	0.607	22%	0.218	S	C	*	.	H	α-helix	trans	-65.3	-37.3	-173.1	-173.4	173.8	-179.3	0	0	111.4	G170 E174 F175 Y191	G170-E172 PolarHBondContact O-N 3.1Å; E172-E174 PolarHBondContact O-N 2.94Å; E172-F175 VanDerWaalsContact O-CB 3.23Å; E172-F175 WeakPolarHBondContact O-CB 3.42Å; E172-F175 PolarHBondContact O-N 3.37Å; E172-Y191 HydrophobicContact CB-CE1 4.02Å; E172-Y191 HydrophobicContact CB-CE2 4.47Å; E172-Y191 HydrophobicContact CG-CD1 4.39Å; E172-Y191 HydrophobicContact CG-CE1 3.85Å
173	E	97.4	Very high	98	Very high	152 Å²	152	44.6 Å²	44.6	71%	0.71	23%	0.23	S	C	*	.	H	α-helix	trans	-59.8	-26.8	177.3	58.6	-92.6	-139	0	0	113.2	A171	A171-E173 VanDerWaalsContact C-N 3.3Å; A171-E173 HydrophobicContact CB-CG 4.29Å; A171-E173 PolarHBondContact O-N 3.48Å
174	E	97.5	Very high	98	Very high	41 Å²	41	38.5 Å²	38.5	19%	0.192	21%	0.205	C	C	.	.	H	α-helix	trans	-91.3	-11.9	179.2	-62.7	-69.5	152	0	0	112.4	R27 V146 M148 A171 E172 T176 A177 A178	R27-E174 IonicContact NE-OE2 3.03Å; R27-E174 IonicContact NH2-OE2 3.44Å; V146-E174 HydrophobicContact CB-CG 4.45Å; V146-E174 HydrophobicContact CG1-CB 4Å; V146-E174 HydrophobicContact CG1-CG 3.73Å; V146-E174 HydrophobicContact CG2-CG 4.03Å; M148-E174 HydrophobicContact SD-CB 4.15Å; A171-E174 HydrophobicContact CB-CG 4.28Å; A171-E174 PolarHBondContact O-N 2.7Å; E172-E174 PolarHBondContact O-N 2.94Å; E174-T176 VanDerWaalsContact C-N 3.29Å; E174-T176 PolarHBondContact O-N 2.91Å; E174-A177 PolarHBondContact O-N 3.4Å; E174-A177 VanDerWaalsContact O-N 3.09Å; E174-A178 PolarHBondContact O-N 2.87Å
175	F	98.4	Very high	98	Very high	30 Å²	30	38.5 Å²	38.5	13%	0.132	21%	0.205	C	C	.	.	H	α-helix	trans	-59.7	-37.8	-177.6	176.6	-111.4	0	0	0	112.7	M148 V168 A171 E172 A177 A178 K179 V189 Y191	M148-F175 HydrophobicContact CE-CB 4.36Å; V168-F175 HydrophobicContact CB-CD2 4.05Å; V168-F175 HydrophobicContact CB-CE2 3.87Å; V168-F175 HydrophobicContact CG1-CD2 3.97Å; V168-F175 HydrophobicContact CG1-CE2 4.27Å; V168-F175 HydrophobicContact CG2-CE2 4Å; A171-F175 PolarHBondContact O-N 3.44Å; E172-F175 VanDerWaalsContact O-CB 3.23Å; E172-F175 WeakPolarHBondContact O-CB 3.42Å; E172-F175 PolarHBondContact O-N 3.37Å; F175-A177 VanDerWaalsContact C-N 3.3Å; F175-A177 PolarHBondContact O-N 3.26Å; F175-A178 PolarHBondContact O-N 2.91Å; F175-K179 HydrophobicContact CE1-CD 3.94Å; F175-K179 HydrophobicContact CZ-CB 4.42Å; F175-K179 HydrophobicContact CZ-CD 4.08Å; F175-K179 VanDerWaalsContact O-CB 3.24Å; F175-K179 WeakPolarHBondContact O-CB 3.4Å; F175-K179 PolarHBondContact O-N 2.91Å; F175-V189 HydrophobicContact CE2-CG1 3.88Å; F175-V189 HydrophobicContact CZ-CG1 4.07Å; F175-Y191 HydrophobicContact CB-CD2 4.08Å; F175-Y191 AromaticContact CD2-CD2 3.78Å; F175-Y191 HydrophobicContact CD2-CD2 3.78Å; F175-Y191 HydrophobicContact CD2-CG 4.24Å; F175-Y191 HydrophobicContact CE2-CD2 4.4Å; F175-Y191 AromaticContact CG-CD2 3.93Å; F175-Y191 HydrophobicContact CG-CD2 3.93Å; F175-Y191 HydrophobicContact CG-CG 4.23Å
176	T	97.8	Very high	98	Very high	110 Å²	110	36.7 Å²	36.7	68%	0.675	20%	0.195	S	C	*	.	H	α-helix	trans	-61.6	-41.5	178.1	-61.4	0	0	0	0	111.2	E174 K179 E180	E174-T176 VanDerWaalsContact C-N 3.29Å; E174-T176 PolarHBondContact O-N 2.91Å; T176-K179 PolarHBondContact O-N 2.76Å; T176-E180 PolarHBondContact O-N 3.41Å
177	A	95.9	Very high	97.9	Very high	19 Å²	19	39.7 Å²	39.7	16%	0.157	22%	0.219	C	C	.	.	H	α-helix	trans	-68.9	-41	176.3	0	0	0	0	0	111.4	R91 L121 E174 F175	R91-A177 PolarHBondContact NH2-O 2.75Å; L121-A177 HydrophobicContact CD2-CB 4.15Å; E174-A177 PolarHBondContact O-N 3.4Å; E174-A177 VanDerWaalsContact O-N 3.09Å; F175-A177 VanDerWaalsContact C-N 3.3Å; F175-A177 PolarHBondContact O-N 3.26Å
178	A	97.9	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-45.9	174	0	0	0	0	0	111.6	L121 I123 M148 E174 F175 E180 L181 L182	L121-A178 HydrophobicContact CD2-CB 4.43Å; I123-A178 HydrophobicContact CD1-CB 3.94Å; M148-A178 HydrophobicContact CE-CB 4.43Å; M148-A178 HydrophobicContact SD-CB 3.53Å; M148-A178 VanDerWaalsContact SD-CB 3.53Å; E174-A178 PolarHBondContact O-N 2.87Å; F175-A178 PolarHBondContact O-N 2.91Å; A178-E180 VanDerWaalsContact C-N 3.31Å; A178-E180 PolarHBondContact O-N 2.98Å; A178-L181 PolarHBondContact O-N 2.88Å; A178-L181 VanDerWaalsContact O-N 3.1Å; A178-L182 HydrophobicContact CB-CD1 4.38Å; A178-L182 VanDerWaalsContact O-CG 3.3Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 3.04Å
179	K	98.3	Very high	97.9	Very high	95 Å²	95	43.8 Å²	43.8	41%	0.413	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-39.8	-177.5	-177.3	172.3	-178.9	178.7	0	113.2	F175 T176 L181 L182 S183 V189	F175-K179 HydrophobicContact CE1-CD 3.94Å; F175-K179 HydrophobicContact CZ-CB 4.42Å; F175-K179 HydrophobicContact CZ-CD 4.08Å; F175-K179 VanDerWaalsContact O-CB 3.24Å; F175-K179 WeakPolarHBondContact O-CB 3.4Å; F175-K179 PolarHBondContact O-N 2.91Å; T176-K179 PolarHBondContact O-N 2.76Å; K179-L181 VanDerWaalsContact C-N 3.3Å; K179-L181 PolarHBondContact O-N 3.1Å; K179-L182 PolarHBondContact O-N 3.02Å; K179-S183 VanDerWaalsContact O-CB 3.27Å; K179-S183 WeakPolarHBondContact O-CB 3.5Å; K179-S183 PolarHBondContact O-N 3.38Å; K179-S183 PolarHBondContact O-OG 2.85Å; K179-S183 VanDerWaalsContact O-OG 3.13Å; K179-V189 HydrophobicContact CB-CG1 4.21Å; K179-V189 HydrophobicContact CG-CB 4.08Å; K179-V189 HydrophobicContact CG-CG1 4.09Å; K179-V189 HydrophobicContact CG-CG2 4.49Å
180	E	96.9	Very high	97.9	Very high	71 Å²	71	47.4 Å²	47.4	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-52.2	-46.5	175.1	-172.4	-151.4	151.3	0	0	112.3	Y56 R91 T176 A178	Y56-E180 PolarHBondContact OH-OE1 3.27Å; R91-E180 IonicContact CZ-OE2 2.69Å; R91-E180 IonicContact NH1-OE1 3.42Å; R91-E180 PolarHBondContact NH1-OE1 2.91Å; R91-E180 IonicContact NH1-OE2 2.84Å; R91-E180 PolarHBondContact NH1-OE2 3.13Å; R91-E180 IonicContact NH2-OE2 3.92Å; R91-E180 PolarHBondContact NH2-OE2 3.43Å; T176-E180 PolarHBondContact O-N 3.41Å; A178-E180 VanDerWaalsContact C-N 3.31Å; A178-E180 PolarHBondContact O-N 2.98Å
181	L	96.9	Very high	97.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-74	-47.4	177.2	-74.6	175.1	0	0	0	112.1	V35 L51 Y56 R91 I123 A178 K179 S183 C184	V35-L181 HydrophobicContact CG1-CD2 4.49Å; V35-L181 HydrophobicContact CG2-CD2 3.67Å; L51-L181 HydrophobicContact CD2-CD2 4.32Å; Y56-L181 HydrophobicContact CD1-CD2 4.07Å; Y56-L181 HydrophobicContact CE1-CD2 3.74Å; Y56-L181 HydrophobicContact CE2-CD2 4.26Å; Y56-L181 HydrophobicContact CG-CD2 4.45Å; R91-L181 HydrophobicContact CB-CD1 3.83Å; R91-L181 HydrophobicContact CG-CD1 4.39Å; R91-L181 VanDerWaalsContact CZ-CG 3.49Å; I123-L181 HydrophobicContact CD1-CD1 4.46Å; A178-L181 PolarHBondContact O-N 2.88Å; A178-L181 VanDerWaalsContact O-N 3.1Å; K179-L181 VanDerWaalsContact C-N 3.3Å; K179-L181 PolarHBondContact O-N 3.1Å; L181-S183 VanDerWaalsContact C-N 3.26Å; L181-S183 PolarHBondContact O-N 3.46Å; L181-C184 VanDerWaalsContact O-CB 3.28Å; L181-C184 WeakPolarHBondContact O-CB 3.44Å; L181-C184 PolarHBondContact O-N 3.15Å
182	L	98.6	Very high	98	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-32.3	-173.2	-63.6	-177.6	0	0	0	112	I123 A150 F166 V168 A178 K179 C184 M185 G186 V189	I123-L182 HydrophobicContact CD1-CD2 4.4Å; I123-L182 HydrophobicContact CD1-CG 4.49Å; I123-L182 HydrophobicContact CG2-CD2 4.18Å; A150-L182 HydrophobicContact CB-CD1 3.87Å; F166-L182 HydrophobicContact CB-CD1 4.15Å; F166-L182 HydrophobicContact CD1-CB 4.38Å; F166-L182 HydrophobicContact CD1-CD1 4.01Å; F166-L182 HydrophobicContact CD1-CD2 3.72Å; F166-L182 HydrophobicContact CD1-CG 4.23Å; F166-L182 HydrophobicContact CD2-CB 4.07Å; F166-L182 HydrophobicContact CE1-CD2 3.57Å; F166-L182 HydrophobicContact CE1-CG 4.49Å; F166-L182 HydrophobicContact CE2-CB 4.33Å; F166-L182 WeakPolarHBondContact CE2-O 3.34Å; F166-L182 HydrophobicContact CG-CB 4.11Å; F166-L182 HydrophobicContact CG-CD1 4.12Å; F166-L182 HydrophobicContact CG-CD2 4.31Å; F166-L182 HydrophobicContact CG-CG 4.4Å; F166-L182 HydrophobicContact CZ-CD2 4.04Å; V168-L182 HydrophobicContact CG2-CD1 3.65Å; A178-L182 HydrophobicContact CB-CD1 4.38Å; A178-L182 VanDerWaalsContact O-CG 3.3Å; A178-L182 WeakPolarHBondContact O-CG 3.48Å; A178-L182 PolarHBondContact O-N 3.04Å; K179-L182 PolarHBondContact O-N 3.02Å; L182-C184 PolarHBondContact O-N 2.82Å; L182-M185 HydrophobicContact CD2-CE 3.7Å; L182-M185 PolarHBondContact O-N 2.88Å; L182-G186 PolarHBondContact O-N 3.41Å; L182-V189 HydrophobicContact CB-CG1 4.07Å; L182-V189 HydrophobicContact CB-CG2 3.79Å; L182-V189 HydrophobicContact CD1-CG1 4.02Å
183	S	98.4	Very high	98	Very high	57 Å²	57	45.4 Å²	45.4	40%	0.399	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-15.7	174.7	-73.3	0	0	0	0	114.3	K179 L181 M185	K179-S183 VanDerWaalsContact O-CB 3.27Å; K179-S183 WeakPolarHBondContact O-CB 3.5Å; K179-S183 PolarHBondContact O-N 3.38Å; K179-S183 PolarHBondContact O-OG 2.85Å; K179-S183 VanDerWaalsContact O-OG 3.13Å; L181-S183 VanDerWaalsContact C-N 3.26Å; L181-S183 PolarHBondContact O-N 3.46Å; S183-M185 VanDerWaalsContact C-N 3.26Å
184	C	98.2	Very high	98.1	Very high	12 Å²	12	44.4 Å²	44.4	8%	0.081	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.7	171.3	-61	0	0	0	0	112.4	N50 L51 H54 Y56 L181 L182	N50-C184 WeakPolarHBondContact CB-O 3.2Å; L51-C184 HydrophobicContact CD2-CB 4.02Å; H54-C184 HydrophobicContact CB-CB 4.15Å; H54-C184 PolarHBondContact CE1-O 3.15Å; H54-C184 PolarHBondContact ND1-O 3.4Å; Y56-C184 VanDerWaalsContact CE2-SG 3.57Å; L181-C184 VanDerWaalsContact O-CB 3.28Å; L181-C184 WeakPolarHBondContact O-CB 3.44Å; L181-C184 PolarHBondContact O-N 3.15Å; L182-C184 PolarHBondContact O-N 2.82Å
185	M	98.6	Very high	98.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-9.8	-174.6	-56.1	175.2	-70.5	0	0	112.5	F37 M47 N50 L51 I93 G162 F166 L182 S183	F37-M185 HydrophobicContact CE2-SD 4.14Å; M47-M185 HydrophobicContact CB-CG 4.43Å; M47-M185 HydrophobicContact CB-SD 3.71Å; M47-M185 HydrophobicContact CE-SD 4.12Å; M47-M185 HydrophobicContact CG-SD 4.26Å; N50-M185 HydrophobicContact CB-CG 4.21Å; L51-M185 HydrophobicContact CD1-SD 3.9Å; L51-M185 HydrophobicContact CD2-CE 4.31Å; L51-M185 HydrophobicContact CD2-CG 4.17Å; L51-M185 HydrophobicContact CD2-SD 4.11Å; L51-M185 HydrophobicContact CG-CG 4.06Å; L51-M185 HydrophobicContact CG-SD 3.8Å; I93-M185 HydrophobicContact CD1-CE 3.63Å; I93-M185 HydrophobicContact CD1-SD 4.35Å; G162-M185 CarbonylContact C-O 3.6Å; G162-M185 VanDerWaalsContact C-O 3.32Å; G162-M185 WeakPolarHBondContact CA-O 3.37Å; F166-M185 HydrophobicContact CE1-CE 4.48Å; F166-M185 HydrophobicContact CE2-CB 4.02Å; F166-M185 HydrophobicContact CZ-CB 3.94Å; F166-M185 HydrophobicContact CZ-CE 3.97Å; L182-M185 HydrophobicContact CD2-CE 3.7Å; L182-M185 PolarHBondContact O-N 2.88Å; S183-M185 VanDerWaalsContact C-N 3.26Å
186	G	98.1	Very high	98.1	Very high	4 Å²	4	42.4 Å²	42.4	4%	0.041	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.9	-173.2	0	0	0	0	0	113.6	G162 L164 L182	G162-G186 CarbonylContact O-C 3.5Å; G162-G186 VanDerWaalsContact O-C 3.32Å; G162-G186 WeakPolarHBondContact O-CA 3.32Å; G162-G186 PolarHBondContact O-N 3.45Å; L164-G186 CarbonylContact O-C 3.32Å; L164-G186 WeakPolarHBondContact O-CA 3.17Å; L182-G186 PolarHBondContact O-N 3.41Å
187	A	98	Very high	98.1	Very high	63 Å²	63	39.3 Å²	39.3	52%	0.521	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	-29.7	174.9	0	0	0	0	0	111.8	G162 K163 L164	G162-A187 PolarHBondContact O-N 3.2Å; K163-A187 HydrophobicContact CB-CB 4.23Å; K163-A187 HydrophobicContact CG-CB 4.42Å; L164-A187 PolarHBondContact O-N 3.1Å
188	N	98.2	Very high	98.2	Very high	88 Å²	88	38.4 Å²	38.4	47%	0.471	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131	-180	-59.7	-60.1	0	0	0	109.8	L164 T165 F166	L164-N188 PolarHBondContact O-N 3.35Å; T165-N188 CarbonylContact C-O 3.5Å; T165-N188 WeakPolarHBondContact CA-O 3.23Å; T165-N188 HydrophobicContact CG2-CB 3.94Å; T165-N188 PolarHBondContact OG1-ND2 3.45Å; F166-N188 PolarHBondContact N-O 3.1Å
189	V	98.7	Very high	98.3	Very high	16 Å²	16	38.4 Å²	38.4	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	111.2	173.4	-174.5	0	0	0	0	107.1	F166 V168 F175 K179 L182	F166-V189 HydrophobicContact CB-CG1 4.23Å; F166-V189 HydrophobicContact CB-CG2 4.39Å; F166-V189 HydrophobicContact CD2-CG2 4.28Å; V168-V189 HydrophobicContact CG2-CG1 3.78Å; F175-V189 HydrophobicContact CE2-CG1 3.88Å; F175-V189 HydrophobicContact CZ-CG1 4.07Å; K179-V189 HydrophobicContact CB-CG1 4.21Å; K179-V189 HydrophobicContact CG-CB 4.08Å; K179-V189 HydrophobicContact CG-CG1 4.09Å; K179-V189 HydrophobicContact CG-CG2 4.49Å; L182-V189 HydrophobicContact CB-CG1 4.07Å; L182-V189 HydrophobicContact CB-CG2 3.79Å; L182-V189 HydrophobicContact CD1-CG1 4.02Å
190	V	98.7	Very high	98.2	Very high	76 Å²	76	35.9 Å²	35.9	46%	0.461	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126.3	-169.7	-175.6	0	0	0	0	109	F166 V168	F166-V190 PolarHBondContact O-N 3.16Å; V168-V190 PolarHBondContact N-O 3.26Å
191	Y	98.8	Very high	98.2	Very high	60 Å²	60	34.2 Å²	34.2	24%	0.235	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	127.9	171.2	-176.2	-117.9	0	0	0	109.6	G170 E172 F175 G193	G170-Y191 WeakPolarHBondContact O-CE2 3.08Å; G170-Y191 PolarHBondContact O-OH 3.37Å; E172-Y191 HydrophobicContact CB-CE1 4.02Å; E172-Y191 HydrophobicContact CB-CE2 4.47Å; E172-Y191 HydrophobicContact CG-CD1 4.39Å; E172-Y191 HydrophobicContact CG-CE1 3.85Å; F175-Y191 HydrophobicContact CB-CD2 4.08Å; F175-Y191 AromaticContact CD2-CD2 3.78Å; F175-Y191 HydrophobicContact CD2-CD2 3.78Å; F175-Y191 HydrophobicContact CD2-CG 4.24Å; F175-Y191 HydrophobicContact CE2-CD2 4.4Å; F175-Y191 AromaticContact CG-CD2 3.93Å; F175-Y191 HydrophobicContact CG-CD2 3.93Å; F175-Y191 HydrophobicContact CG-CG 4.23Å; Y191-G193 WeakPolarHBondContact CE2-O 3.38Å; Y191-G193 VanDerWaalsContact CZ-O 3.3Å; Y191-G193 VanDerWaalsContact OH-C 3.31Å; Y191-G193 PolarHBondContact OH-O 3.37Å
192	C	98.5	Very high	98.2	Very high	40 Å²	40	34.8 Å²	34.8	27%	0.27	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-9.4	-175.5	-63.6	0	0	0	0	113.1	V168 T197	V168-C192 PolarHBondContact O-N 2.87Å; C192-T197 WeakPolarHBondContact CB-OG1 3.43Å; C192-T197 WeakPolarHBondContact O-CB 3.39Å; C192-T197 PolarHBondContact O-OG1 3.4Å
193	G	98.6	Very high	97.9	Very high	18 Å²	18	35.5 Å²	35.5	19%	0.186	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	115.9	-146.5	-176.5	0	0	0	0	0	112.3	G169 G170 Y191 T197	G169-G193 CarbonylContact C-O 3.55Å; G169-G193 WeakPolarHBondContact CA-O 3.48Å; G170-G193 PolarHBondContact N-O 2.77Å; G170-G193 VanDerWaalsContact O-O 3.06Å; Y191-G193 WeakPolarHBondContact CE2-O 3.38Å; Y191-G193 VanDerWaalsContact CZ-O 3.3Å; Y191-G193 VanDerWaalsContact OH-C 3.31Å; Y191-G193 PolarHBondContact OH-O 3.37Å; G193-T197 VanDerWaalsContact C-OG1 3.23Å; G193-T197 PolarHBondContact N-OG1 3.34Å; G193-T197 PolarHBondContact O-OG1 3.18Å
194	Q	98.4	Very high	97.8	Very high	131 Å²	131	36.4 Å²	36.4	61%	0.612	23%	0.226	S	C	*	.	S	Bend	trans	-66.6	167.5	-176.3	-62	-61.4	-44.6	0	0	112.9	G196 T197	Q194-G196 PolarHBondContact O-N 3.08Å; Q194-T197 VanDerWaalsContact O-CB 3.32Å; Q194-T197 WeakPolarHBondContact O-CB 3.5Å; Q194-T197 VanDerWaalsContact O-CG2 3.26Å; Q194-T197 WeakPolarHBondContact O-CG2 3.36Å; Q194-T197 PolarHBondContact O-N 3.22Å; Q194-T197 PolarHBondContact O-OG1 3.44Å
195	V	98.7	Very high	97.6	Very high	26 Å²	26	39.4 Å²	39.4	16%	0.158	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	133.2	178	178.5	0	0	0	0	111.7	S133 K134 A137 F147 D149	S133-V195 WeakPolarHBondContact O-CG1 3.27Å; K134-V195 HydrophobicContact CG-CG1 4.32Å; A137-V195 HydrophobicContact CB-CB 4.33Å; A137-V195 HydrophobicContact CB-CG1 3.88Å; A137-V195 HydrophobicContact CB-CG2 3.94Å; F147-V195 HydrophobicContact CD1-CG1 4.11Å; F147-V195 HydrophobicContact CE1-CG1 4.27Å; D149-V195 WeakPolarHBondContact OD1-CA 3.49Å
196	G	97.9	Very high	97.4	Very high	4 Å²	4	39.5 Å²	39.5	4%	0.041	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.1	-12.8	-177.8	0	0	0	0	0	114	D149 Q194 Q199 A200	D149-G196 VanDerWaalsContact CG-N 3.32Å; D149-G196 PolarHBondContact OD1-N 3.42Å; D149-G196 WeakPolarHBondContact OD2-CA 3.39Å; D149-G196 PolarHBondContact OD2-N 2.84Å; Q194-G196 PolarHBondContact O-N 3.08Å; G196-Q199 PolarHBondContact O-N 3.39Å; G196-A200 PolarHBondContact O-N 3.4Å
197	T	98.4	Very high	97.2	Very high	44 Å²	44	43.4 Å²	43.4	27%	0.27	26%	0.26	S	S	.	.	H	α-helix	trans	-72.3	-28.1	178	57.4	0	0	0	0	113	C192 G193 Q194 A200 A201	C192-T197 WeakPolarHBondContact CB-OG1 3.43Å; C192-T197 WeakPolarHBondContact O-CB 3.39Å; C192-T197 PolarHBondContact O-OG1 3.4Å; G193-T197 VanDerWaalsContact C-OG1 3.23Å; G193-T197 PolarHBondContact N-OG1 3.34Å; G193-T197 PolarHBondContact O-OG1 3.18Å; Q194-T197 VanDerWaalsContact O-CB 3.32Å; Q194-T197 WeakPolarHBondContact O-CB 3.5Å; Q194-T197 VanDerWaalsContact O-CG2 3.26Å; Q194-T197 WeakPolarHBondContact O-CG2 3.36Å; Q194-T197 PolarHBondContact O-N 3.22Å; Q194-T197 PolarHBondContact O-OG1 3.44Å; T197-A200 PolarHBondContact O-N 3.43Å; T197-A201 WeakPolarHBondContact O-CB 3.31Å; T197-A201 PolarHBondContact O-N 3.42Å
198	G	98.4	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.8	-46.6	171.5	0	0	0	0	0	111.1	D149 P151 M167 A201 K202	D149-G198 VanDerWaalsContact OD2-CA 3.23Å; D149-G198 WeakPolarHBondContact OD2-CA 3.39Å; D149-G198 PolarHBondContact OD2-N 3.46Å; P151-G198 VanDerWaalsContact CG-O 3.27Å; P151-G198 WeakPolarHBondContact CG-O 3.42Å; M167-G198 VanDerWaalsContact O-CA 3.27Å; M167-G198 WeakPolarHBondContact O-CA 3.46Å; G198-A201 PolarHBondContact O-N 2.99Å; G198-K202 WeakPolarHBondContact O-CB 3.44Å; G198-K202 PolarHBondContact O-N 3.49Å
199	Q	98	Very high	96.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.4	-47.4	172.3	-60.6	-58.6	-17.2	0	0	111.9	S126 I128 P130 S133 D149 G196 A201 K202 I203	S126-Q199 PolarHBondContact O-NE2 3.09Å; S126-Q199 PolarHBondContact O-OE1 2.88Å; I128-Q199 HydrophobicContact CG1-CG 4.31Å; I128-Q199 VanDerWaalsContact N-OE1 3.09Å; I128-Q199 PolarHBondContact O-OE1 3.39Å; P130-Q199 HydrophobicContact CB-CB 4.21Å; P130-Q199 HydrophobicContact CG-CB 3.83Å; S133-Q199 WeakPolarHBondContact OG-CG 3.28Å; D149-Q199 HydrophobicContact CB-CG 4.03Å; D149-Q199 PolarHBondContact OD2-N 2.98Å; G196-Q199 PolarHBondContact O-N 3.39Å; Q199-A201 PolarHBondContact O-N 3.28Å; Q199-K202 PolarHBondContact O-N 3.46Å; Q199-I203 VanDerWaalsContact O-CG1 3.27Å; Q199-I203 WeakPolarHBondContact O-CG1 3.44Å; Q199-I203 PolarHBondContact O-N 3.08Å
200	A	96.8	Very high	96.7	Very high	42 Å²	42	43.8 Å²	43.8	35%	0.347	25%	0.254	S	S	.	.	H	α-helix	trans	-58.5	-47.2	178.3	0	0	0	0	0	112	G196 T197 K202 I203 C204	G196-A200 PolarHBondContact O-N 3.4Å; T197-A200 PolarHBondContact O-N 3.43Å; A200-K202 VanDerWaalsContact C-N 3.33Å; A200-K202 PolarHBondContact O-N 2.96Å; A200-I203 PolarHBondContact O-N 3.43Å; A200-C204 WeakPolarHBondContact O-CB 3.49Å; A200-C204 PolarHBondContact O-N 3.37Å; A200-C204 PolarHBondContact O-SG 3.27Å; A200-C204 VanDerWaalsContact O-SG 3.32Å
201	A	97.3	Very high	96.6	Very high	36 Å²	36	45.2 Å²	45.2	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-58.9	-44.6	176.4	0	0	0	0	0	111.8	M167 T197 G198 Q199 N205	M167-A201 HydrophobicContact CB-CB 4.36Å; M167-A201 HydrophobicContact CG-CB 4.28Å; M167-A201 HydrophobicContact SD-CB 4.14Å; T197-A201 WeakPolarHBondContact O-CB 3.31Å; T197-A201 PolarHBondContact O-N 3.42Å; G198-A201 PolarHBondContact O-N 2.99Å; Q199-A201 PolarHBondContact O-N 3.28Å; A201-N205 WeakPolarHBondContact O-CB 3.42Å; A201-N205 PolarHBondContact O-N 3.23Å
202	K	96	Very high	96.5	Very high	13 Å²	13	43.3 Å²	43.3	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-62.3	-45.1	177.8	176.6	66.2	-170.8	-176	0	112.3	T127 P151 V152 S153 M167 G198 Q199 A200 N205 N206	T127-K202 HydrophobicContact CG2-CG 3.92Å; P151-K202 HydrophobicContact CB-CB 3.95Å; P151-K202 HydrophobicContact CB-CG 3.97Å; P151-K202 HydrophobicContact CG-CB 3.8Å; P151-K202 HydrophobicContact CG-CG 4.39Å; V152-K202 VanDerWaalsContact O-CE 3.25Å; V152-K202 WeakPolarHBondContact O-CE 3.26Å; V152-K202 PolarHBondContact O-NZ 3.23Å; S153-K202 PolarHBondContact OG-NZ 2.85Å; M167-K202 HydrophobicContact CE-CB 3.95Å; M167-K202 HydrophobicContact CE-CD 3.55Å; M167-K202 HydrophobicContact CE-CG 4.31Å; M167-K202 HydrophobicContact SD-CB 4.08Å; M167-K202 HydrophobicContact SD-CD 4.46Å; G198-K202 WeakPolarHBondContact O-CB 3.44Å; G198-K202 PolarHBondContact O-N 3.49Å; Q199-K202 PolarHBondContact O-N 3.46Å; A200-K202 VanDerWaalsContact C-N 3.33Å; A200-K202 PolarHBondContact O-N 2.96Å; K202-N205 PolarHBondContact O-N 3.43Å; K202-N206 VanDerWaalsContact CE-OD1 3.28Å; K202-N206 WeakPolarHBondContact CE-OD1 3.47Å; K202-N206 PolarHBondContact NZ-OD1 3.24Å; K202-N206 WeakPolarHBondContact O-CB 3.37Å; K202-N206 PolarHBondContact O-N 2.9Å
203	I	94.3	Very high	96.5	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.077	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-49.1	-179.9	-69.5	163.3	0	0	0	109.9	P130 Q199 A200 N205 N206 M207 V278 F281 T282	P130-I203 HydrophobicContact CG-CD1 3.97Å; Q199-I203 VanDerWaalsContact O-CG1 3.27Å; Q199-I203 WeakPolarHBondContact O-CG1 3.44Å; Q199-I203 PolarHBondContact O-N 3.08Å; A200-I203 PolarHBondContact O-N 3.43Å; I203-N205 VanDerWaalsContact C-N 3.34Å; I203-N205 PolarHBondContact O-N 2.98Å; I203-N206 PolarHBondContact O-N 3.37Å; I203-M207 WeakPolarHBondContact O-CB 3.5Å; I203-M207 PolarHBondContact O-N 2.84Å; I203-V278 HydrophobicContact CG1-CG1 4.29Å; I203-F281 HydrophobicContact CD1-CB 3.93Å; I203-F281 HydrophobicContact CD1-CD2 4.06Å; I203-F281 HydrophobicContact CD1-CG 4.24Å; I203-F281 HydrophobicContact CG1-CD2 4.28Å; I203-T282 HydrophobicContact CG2-CG2 3.94Å
204	C	95.1	Very high	96.5	Very high	77 Å²	77	47.3 Å²	47.3	52%	0.52	27%	0.269	S	S	.	.	H	α-helix	trans	-57.3	-45.4	176.6	-70.2	0	0	0	0	112.2	A200 N206 M207 L208	A200-C204 WeakPolarHBondContact O-CB 3.49Å; A200-C204 PolarHBondContact O-N 3.37Å; A200-C204 PolarHBondContact O-SG 3.27Å; A200-C204 VanDerWaalsContact O-SG 3.32Å; C204-N206 PolarHBondContact O-N 2.7Å; C204-M207 PolarHBondContact O-N 3.38Å; C204-L208 PolarHBondContact O-N 2.8Å; C204-L208 VanDerWaalsContact O-N 3.1Å
205	N	95	Very high	96.5	Very high	74 Å²	74	42.4 Å²	42.4	40%	0.396	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-45.9	176.7	174.2	86.9	0	0	0	112	A201 K202 I203 L208 L209	A201-N205 WeakPolarHBondContact O-CB 3.42Å; A201-N205 PolarHBondContact O-N 3.23Å; K202-N205 PolarHBondContact O-N 3.43Å; I203-N205 VanDerWaalsContact C-N 3.34Å; I203-N205 PolarHBondContact O-N 2.98Å; N205-L208 PolarHBondContact O-N 3.2Å; N205-L209 WeakPolarHBondContact O-CB 3.24Å; N205-L209 PolarHBondContact O-N 2.97Å
206	N	93	Very high	96.5	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-71.4	-32.3	-178.5	-88.1	28.7	0	0	0	112.8	K202 I203 C204 L209 A210 M275 V278	K202-N206 VanDerWaalsContact CE-OD1 3.28Å; K202-N206 WeakPolarHBondContact CE-OD1 3.47Å; K202-N206 PolarHBondContact NZ-OD1 3.24Å; K202-N206 WeakPolarHBondContact O-CB 3.37Å; K202-N206 PolarHBondContact O-N 2.9Å; I203-N206 PolarHBondContact O-N 3.37Å; C204-N206 PolarHBondContact O-N 2.7Å; N206-L209 WeakPolarHBondContact O-CB 3.49Å; N206-L209 PolarHBondContact O-N 2.98Å; N206-A210 WeakPolarHBondContact O-CB 3.35Å; N206-A210 PolarHBondContact O-N 3.18Å; N206-M275 HydrophobicContact CB-SD 4.45Å; N206-V278 HydrophobicContact CB-CB 4.45Å; N206-V278 HydrophobicContact CB-CG1 3.54Å
207	M	94.4	Very high	96.5	Very high	86 Å²	86	43.6 Å²	43.6	42%	0.424	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-48.2	171.3	-177.5	-178	73.3	0	0	110.7	I203 C204 L209 A210 I211 T282	I203-M207 WeakPolarHBondContact O-CB 3.5Å; I203-M207 PolarHBondContact O-N 2.84Å; C204-M207 PolarHBondContact O-N 3.38Å; M207-L209 VanDerWaalsContact C-N 3.33Å; M207-L209 PolarHBondContact O-N 2.95Å; M207-A210 PolarHBondContact O-N 2.94Å; M207-I211 HydrophobicContact CG-CD1 4.29Å; M207-I211 WeakPolarHBondContact O-CG1 3.21Å; M207-I211 PolarHBondContact O-N 3.06Å; M207-I211 VanDerWaalsContact O-N 3.1Å; M207-T282 HydrophobicContact SD-CG2 4.29Å
208	L	95.8	Very high	96.5	Very high	119 Å²	119	47.7 Å²	47.7	62%	0.623	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-40.7	176.1	-179.8	60.1	0	0	0	111.9	C204 N205 A210 I211 G212	C204-L208 PolarHBondContact O-N 2.8Å; C204-L208 VanDerWaalsContact O-N 3.1Å; N205-L208 PolarHBondContact O-N 3.2Å; L208-A210 PolarHBondContact O-N 3.13Å; L208-I211 PolarHBondContact O-N 3.22Å; L208-G212 PolarHBondContact O-N 3.14Å
209	L	94.4	Very high	96.5	Very high	38 Å²	38	50.7 Å²	50.7	20%	0.199	30%	0.297	C	S	.	.	H	α-helix	trans	-59	-44.5	174.2	171.9	61.4	0	0	0	111.9	N205 N206 M207 G212 M213 W245 M275	N205-L209 WeakPolarHBondContact O-CB 3.24Å; N205-L209 PolarHBondContact O-N 2.97Å; N206-L209 WeakPolarHBondContact O-CB 3.49Å; N206-L209 PolarHBondContact O-N 2.98Å; M207-L209 VanDerWaalsContact C-N 3.33Å; M207-L209 PolarHBondContact O-N 2.95Å; L209-G212 PolarHBondContact O-N 3.3Å; L209-M213 VanDerWaalsContact O-CB 3.31Å; L209-M213 WeakPolarHBondContact O-CB 3.34Å; L209-M213 PolarHBondContact O-N 3.5Å; L209-W245 HydrophobicContact CD1-CE3 3.46Å; L209-W245 VanDerWaalsContact CD1-CE3 3.46Å; L209-W245 HydrophobicContact CD1-CZ3 3.69Å; L209-M275 HydrophobicContact CD2-CE 3.77Å; L209-M275 HydrophobicContact CG-CE 3.95Å
210	A	94.7	Very high	96.6	Very high	18 Å²	18	50.7 Å²	50.7	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-48.4	178.9	0	0	0	0	0	111.4	N206 M207 L208 G212 M213 I214 M275	N206-A210 WeakPolarHBondContact O-CB 3.35Å; N206-A210 PolarHBondContact O-N 3.18Å; M207-A210 PolarHBondContact O-N 2.94Å; L208-A210 PolarHBondContact O-N 3.13Å; A210-G212 PolarHBondContact O-N 3.46Å; A210-M213 PolarHBondContact O-N 3.2Å; A210-I214 WeakPolarHBondContact O-CG1 3.35Å; A210-I214 PolarHBondContact O-N 2.93Å; A210-M275 HydrophobicContact CB-CE 4.42Å; A210-M275 HydrophobicContact CB-CG 4.36Å; A210-M275 HydrophobicContact CB-SD 3.97Å
211	I	96.6	Very high	96.7	Very high	106 Å²	106	53.3 Å²	53.3	54%	0.544	31%	0.305	S	S	.	.	H	α-helix	trans	-58.4	-48.5	176.3	-64.2	165	0	0	0	110.3	M207 L208 M213 I214 G215	M207-I211 HydrophobicContact CG-CD1 4.29Å; M207-I211 WeakPolarHBondContact O-CG1 3.21Å; M207-I211 PolarHBondContact O-N 3.06Å; M207-I211 VanDerWaalsContact O-N 3.1Å; L208-I211 PolarHBondContact O-N 3.22Å; I211-M213 PolarHBondContact O-N 3.33Å; I211-I214 PolarHBondContact O-N 3.26Å; I211-G215 PolarHBondContact O-N 3.31Å
212	G	97.3	Very high	96.7	Very high	20 Å²	20	56.5 Å²	56.5	21%	0.206	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-37.4	179.4	0	0	0	0	0	113.4	L208 L209 A210 T216	L208-G212 PolarHBondContact O-N 3.14Å; L209-G212 PolarHBondContact O-N 3.3Å; A210-G212 PolarHBondContact O-N 3.46Å; G212-T216 VanDerWaalsContact O-CB 3.3Å; G212-T216 WeakPolarHBondContact O-CB 3.42Å; G212-T216 PolarHBondContact O-N 2.77Å; G212-T216 PolarHBondContact O-OG1 3.38Å
213	M	97.6	Very high	96.9	Very high	43 Å²	43	56.2 Å²	56.2	21%	0.212	32%	0.317	C	S	.	.	H	α-helix	trans	-67.8	-44.3	177.1	-177	57	72.7	0	0	112.1	L209 A210 I211 T216 S217 S246 Y250 P252	L209-M213 VanDerWaalsContact O-CB 3.31Å; L209-M213 WeakPolarHBondContact O-CB 3.34Å; L209-M213 PolarHBondContact O-N 3.5Å; A210-M213 PolarHBondContact O-N 3.2Å; I211-M213 PolarHBondContact O-N 3.33Å; M213-T216 PolarHBondContact O-N 3.48Å; M213-S217 WeakPolarHBondContact O-CB 3.44Å; M213-S217 PolarHBondContact O-N 3Å; M213-S217 PolarHBondContact O-OG 3.23Å; M213-S246 PolarHBondContact N-OG 3Å; M213-Y250 HydrophobicContact CE-CD1 3.93Å; M213-P252 HydrophobicContact SD-CB 3.88Å; M213-P252 HydrophobicContact SD-CG 4.05Å
214	I	98.1	Very high	97.1	Very high	98 Å²	98	58.7 Å²	58.7	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-49.7	175.5	-66.1	167.4	0	0	0	109.6	A210 I211 T216 S217 E218	A210-I214 WeakPolarHBondContact O-CG1 3.35Å; A210-I214 PolarHBondContact O-N 2.93Å; I211-I214 PolarHBondContact O-N 3.26Å; I214-T216 VanDerWaalsContact C-N 3.31Å; I214-T216 PolarHBondContact O-N 3.33Å; I214-S217 WeakPolarHBondContact O-CB 3.37Å; I214-S217 PolarHBondContact O-N 3.33Å; I214-E218 HydrophobicContact CG2-CG 4.32Å; I214-E218 WeakPolarHBondContact CG2-OE1 3.48Å; I214-E218 PolarHBondContact O-N 3.46Å
215	G	98.6	Very high	97.2	Very high	29 Å²	29	64.5 Å²	64.5	30%	0.299	34%	0.341	S	S	.	.	H	α-helix	trans	-58.8	-39.8	177.9	0	0	0	0	0	113.2	I211 T219	I211-G215 PolarHBondContact O-N 3.31Å; G215-T219 VanDerWaalsContact O-CB 3.23Å; G215-T219 WeakPolarHBondContact O-CB 3.45Å; G215-T219 PolarHBondContact O-N 3.09Å; G215-T219 PolarHBondContact O-OG1 3.09Å
216	T	98.7	Very high	97.4	Very high	9 Å²	9	67.2 Å²	67.2	6%	0.055	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-46.3	173.1	-59.7	0	0	0	0	110.9	G212 M213 I214 T219 M220 C244 P252	G212-T216 VanDerWaalsContact O-CB 3.3Å; G212-T216 WeakPolarHBondContact O-CB 3.42Å; G212-T216 PolarHBondContact O-N 2.77Å; G212-T216 PolarHBondContact O-OG1 3.38Å; M213-T216 PolarHBondContact O-N 3.48Å; I214-T216 VanDerWaalsContact C-N 3.31Å; I214-T216 PolarHBondContact O-N 3.33Å; T216-T219 PolarHBondContact O-N 2.77Å; T216-M220 HydrophobicContact CG2-CG 4.18Å; T216-M220 WeakPolarHBondContact O-CB 3.44Å; T216-M220 WeakPolarHBondContact O-CG 3.3Å; T216-M220 PolarHBondContact O-N 2.9Å; T216-C244 PolarHBondContact OG1-SG 3.06Å; T216-P252 HydrophobicContact CG2-CG 3.9Å
217	S	98.6	Very high	97.7	Very high	45 Å²	45	70.1 Å²	70.1	32%	0.315	39%	0.386	S	S	.	.	H	α-helix	trans	-63.3	-45.5	-178.6	-57.8	0	0	0	0	111.8	M213 I214 N221 P252	M213-S217 WeakPolarHBondContact O-CB 3.44Å; M213-S217 PolarHBondContact O-N 3Å; M213-S217 PolarHBondContact O-OG 3.23Å; I214-S217 WeakPolarHBondContact O-CB 3.37Å; I214-S217 PolarHBondContact O-N 3.33Å; S217-N221 VanDerWaalsContact O-CB 3.24Å; S217-N221 WeakPolarHBondContact O-CB 3.42Å; S217-N221 PolarHBondContact O-N 3.47Å; S217-P252 WeakPolarHBondContact OG-CG 3.45Å
218	E	98.8	Very high	97.9	Very high	130 Å²	130	69.8 Å²	69.8	61%	0.607	39%	0.385	S	S	*	.	H	α-helix	trans	-63.6	-45.7	176.3	-71.6	-179.6	-176.1	0	0	111.9	I214 N221 L222	I214-E218 HydrophobicContact CG2-CG 4.32Å; I214-E218 WeakPolarHBondContact CG2-OE1 3.48Å; I214-E218 PolarHBondContact O-N 3.46Å; E218-N221 PolarHBondContact O-N 3.48Å; E218-L222 WeakPolarHBondContact O-CB 3.34Å; E218-L222 PolarHBondContact O-N 3.47Å
219	T	98.7	Very high	98	Very high	64 Å²	64	68.3 Å²	68.3	39%	0.393	38%	0.378	S	S	.	.	H	α-helix	trans	-61.4	-46.9	178.7	-61.3	0	0	0	0	111.3	G215 T216 L222 G223 L237	G215-T219 VanDerWaalsContact O-CB 3.23Å; G215-T219 WeakPolarHBondContact O-CB 3.45Å; G215-T219 PolarHBondContact O-N 3.09Å; G215-T219 PolarHBondContact O-OG1 3.09Å; T216-T219 PolarHBondContact O-N 2.77Å; T219-L222 PolarHBondContact O-N 2.97Å; T219-G223 PolarHBondContact O-N 3.26Å; T219-L237 HydrophobicContact CG2-CD1 4.13Å; T219-L237 HydrophobicContact CG2-CD2 4.08Å
220	M	98.8	Very high	98.2	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-63.3	-46.3	177.7	-69.8	-68.5	-69.7	0	0	111	T216 L222 G223 I224 P230 L233 A234 L237 V253 V256	T216-M220 HydrophobicContact CG2-CG 4.18Å; T216-M220 WeakPolarHBondContact O-CB 3.44Å; T216-M220 WeakPolarHBondContact O-CG 3.3Å; T216-M220 PolarHBondContact O-N 2.9Å; M220-L222 PolarHBondContact O-N 3.36Å; M220-G223 PolarHBondContact O-N 2.86Å; M220-I224 WeakPolarHBondContact O-CB 3.26Å; M220-I224 WeakPolarHBondContact O-CD1 3.23Å; M220-I224 WeakPolarHBondContact O-CG1 3.2Å; M220-I224 PolarHBondContact O-N 3.27Å; M220-P230 HydrophobicContact CE-CB 4.05Å; M220-P230 WeakPolarHBondContact CE-O 3.43Å; M220-L233 HydrophobicContact SD-CB 4.43Å; M220-L233 HydrophobicContact SD-CD2 3.89Å; M220-L233 HydrophobicContact SD-CG 3.92Å; M220-A234 HydrophobicContact CE-CB 4.16Å; M220-A234 HydrophobicContact SD-CB 4.45Å; M220-L237 HydrophobicContact SD-CD1 3.81Å; M220-V253 HydrophobicContact CB-CG2 3.63Å; M220-V253 HydrophobicContact CE-CB 4.07Å; M220-V253 HydrophobicContact CE-CG2 3.61Å; M220-V253 HydrophobicContact CG-CG2 3.98Å; M220-V256 HydrophobicContact CE-CG2 4.13Å
221	N	98.8	Very high	98.4	Very high	96 Å²	96	73.5 Å²	73.5	51%	0.513	40%	0.399	S	S	.	.	H	α-helix	trans	-59.7	-45.6	177.6	178.2	55.9	0	0	0	112	S217 E218 I224 R225	S217-N221 VanDerWaalsContact O-CB 3.24Å; S217-N221 WeakPolarHBondContact O-CB 3.42Å; S217-N221 PolarHBondContact O-N 3.47Å; E218-N221 PolarHBondContact O-N 3.48Å; N221-I224 PolarHBondContact O-N 3.25Å; N221-R225 VanDerWaalsContact O-CG 3.31Å; N221-R225 WeakPolarHBondContact O-CG 3.43Å; N221-R225 PolarHBondContact O-N 2.72Å
222	L	98.8	Very high	98.5	Very high	104 Å²	104	72.6 Å²	72.6	55%	0.545	40%	0.395	S	S	.	.	H	α-helix	trans	-60.3	-49.4	176.1	176.2	60.4	0	0	0	111.3	E218 T219 M220 I224 R225 L226	E218-L222 WeakPolarHBondContact O-CB 3.34Å; E218-L222 PolarHBondContact O-N 3.47Å; T219-L222 PolarHBondContact O-N 2.97Å; M220-L222 PolarHBondContact O-N 3.36Å; L222-I224 VanDerWaalsContact C-N 3.34Å; L222-I224 PolarHBondContact O-N 2.92Å; L222-R225 PolarHBondContact O-N 3.21Å; L222-L226 HydrophobicContact CD1-CD1 3.98Å; L222-L226 HydrophobicContact CD1-CG 4.18Å; L222-L226 HydrophobicContact CG-CD1 3.97Å; L222-L226 WeakPolarHBondContact O-CG 3.39Å; L222-L226 PolarHBondContact O-N 2.72Å
223	G	98.7	Very high	98.5	Very high	7 Å²	7	72.4 Å²	72.4	7%	0.072	39%	0.389	C	S	.	.	H	α-helix	trans	-61.5	-40	-179.6	0	0	0	0	0	113.2	T219 M220 L226 G227 L228	T219-G223 PolarHBondContact O-N 3.26Å; M220-G223 PolarHBondContact O-N 2.86Å; G223-L226 CarbonylContact O-C 3.42Å; G223-L226 PolarHBondContact O-N 3.43Å; G223-G227 PolarHBondContact O-N 3.04Å; G223-L228 WeakPolarHBondContact O-CB 3.37Å; G223-L228 PolarHBondContact O-N 3.32Å
224	I	98.6	Very high	98.6	Very high	66 Å²	66	70.5 Å²	70.5	34%	0.338	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-44.9	174.4	-68.8	165.4	0	0	0	110.7	M220 N221 L222 L226 G227 P230 V253	M220-I224 WeakPolarHBondContact O-CB 3.26Å; M220-I224 WeakPolarHBondContact O-CD1 3.23Å; M220-I224 WeakPolarHBondContact O-CG1 3.2Å; M220-I224 PolarHBondContact O-N 3.27Å; N221-I224 PolarHBondContact O-N 3.25Å; L222-I224 VanDerWaalsContact C-N 3.34Å; L222-I224 PolarHBondContact O-N 2.92Å; I224-L226 PolarHBondContact O-N 3.46Å; I224-G227 PolarHBondContact O-N 2.88Å; I224-P230 HydrophobicContact CD1-CB 4.2Å; I224-P230 HydrophobicContact CD1-CG 3.83Å; I224-P230 HydrophobicContact CG1-CB 4.35Å; I224-P230 HydrophobicContact CG1-CG 3.83Å; I224-V253 HydrophobicContact CD1-CG1 4.18Å; I224-V253 HydrophobicContact CD1-CG2 4.44Å
225	R	98.5	Very high	98.6	Very high	199 Å²	199	72.6 Å²	72.6	75%	0.751	39%	0.386	S	S	*	.	H	α-helix	trans	-67.2	-25.4	178	-69.6	-175.4	67	74.6	5.8	113.4	N221 L222	N221-R225 VanDerWaalsContact O-CG 3.31Å; N221-R225 WeakPolarHBondContact O-CG 3.43Å; N221-R225 PolarHBondContact O-N 2.72Å; L222-R225 PolarHBondContact O-N 3.21Å
226	L	98.6	Very high	98.6	Very high	131 Å²	131	75 Å²	75	69%	0.686	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	0.7	171.3	-67.5	172.9	0	0	0	113.1	L222 G223 I224	L222-L226 HydrophobicContact CD1-CD1 3.98Å; L222-L226 HydrophobicContact CD1-CG 4.18Å; L222-L226 HydrophobicContact CG-CD1 3.97Å; L222-L226 WeakPolarHBondContact O-CG 3.39Å; L222-L226 PolarHBondContact O-N 2.72Å; G223-L226 CarbonylContact O-C 3.42Å; G223-L226 PolarHBondContact O-N 3.43Å; I224-L226 PolarHBondContact O-N 3.46Å
227	G	98.3	Very high	98.6	Very high	65 Å²	65	75.9 Å²	75.9	67%	0.67	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	14	173.3	0	0	0	0	0	115.3	G223 I224	G223-G227 PolarHBondContact O-N 3.04Å; I224-G227 PolarHBondContact O-N 2.88Å
228	L	98.6	Very high	98.6	Very high	78 Å²	78	75.6 Å²	75.6	41%	0.408	39%	0.39	S	S	.	.			trans	-81.1	141.5	176.2	-59.4	177.4	0	0	0	111.7	G223 P230 L233	G223-L228 WeakPolarHBondContact O-CB 3.37Å; G223-L228 PolarHBondContact O-N 3.32Å; L228-P230 WeakPolarHBondContact O-CD 3.28Å; L228-L233 HydrophobicContact CD1-CD1 4.03Å; L228-L233 HydrophobicContact CD1-CD2 4.33Å
229	D	98.6	Very high	98.5	Very high	89 Å²	89	76.2 Å²	76.2	48%	0.476	40%	0.395	S	S	.	.			trans	-63.3	123.5	164.5	169.6	14.7	0	0	0	109.6	K231 L232 L233	D229-K231 PolarHBondContact O-N 2.94Å; D229-K231 PolarHBondContact OD1-N 2.94Å; D229-L232 HydrophobicContact CB-CB 4.06Å; D229-L232 PolarHBondContact O-N 2.77Å; D229-L232 VanDerWaalsContact O-N 3.15Å; D229-L233 PolarHBondContact O-N 3.11Å
230	P	98.4	Very high	98.5	Very high	35 Å²	35	76 Å²	76	23%	0.227	40%	0.396	C	S	.	.	H	α-helix	trans	-50.9	-39.2	176.6	-19.4	20.5	0	0	0	114.2	M220 I224 L228 L233 A234 V253 V256	M220-P230 HydrophobicContact CE-CB 4.05Å; M220-P230 WeakPolarHBondContact CE-O 3.43Å; I224-P230 HydrophobicContact CD1-CB 4.2Å; I224-P230 HydrophobicContact CD1-CG 3.83Å; I224-P230 HydrophobicContact CG1-CB 4.35Å; I224-P230 HydrophobicContact CG1-CG 3.83Å; L228-P230 WeakPolarHBondContact O-CD 3.28Å; P230-L233 PolarHBondContact O-N 2.66Å; P230-A234 VanDerWaalsContact O-CB 3.31Å; P230-A234 WeakPolarHBondContact O-CB 2.99Å; P230-A234 PolarHBondContact O-N 2.97Å; P230-V253 HydrophobicContact CB-CG1 4.1Å; P230-V253 HydrophobicContact CG-CG1 4.47Å; P230-V256 HydrophobicContact CB-CG2 3.63Å
231	K	98.6	Very high	98.5	Very high	129 Å²	129	82.3 Å²	82.3	56%	0.561	44%	0.44	S	S	*	.	H	α-helix	trans	-68.2	-41.5	-178.8	-72.4	-176.6	175.8	-177	0	111.5	D229 K235 G255	D229-K231 PolarHBondContact O-N 2.94Å; D229-K231 PolarHBondContact OD1-N 2.94Å; K231-K235 WeakPolarHBondContact O-CB 3.42Å; K231-K235 PolarHBondContact O-N 3.3Å; K231-G255 WeakPolarHBondContact CE-O 3.33Å
232	L	98.6	Very high	98.4	Very high	87 Å²	87	79.8 Å²	79.8	46%	0.455	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-47.3	174.6	177.8	62.2	0	0	0	111.2	D229 K235 I236	D229-L232 HydrophobicContact CB-CB 4.06Å; D229-L232 PolarHBondContact O-N 2.77Å; D229-L232 VanDerWaalsContact O-N 3.15Å; L232-K235 WeakPolarHBondContact O-CB 3.32Å; L232-K235 PolarHBondContact O-N 3.13Å; L232-I236 HydrophobicContact CD1-CD1 4.25Å; L232-I236 HydrophobicContact CG-CD1 4.13Å; L232-I236 WeakPolarHBondContact O-CG1 3.26Å; L232-I236 PolarHBondContact O-N 3.3Å
233	L	98.8	Very high	98.4	Very high	16 Å²	16	82.4 Å²	82.4	8%	0.084	44%	0.439	C	S	.	.	H	α-helix	trans	-61.8	-46.5	178.9	178.9	58.3	0	0	0	111.6	M220 L228 D229 P230 K235 I236 L237	M220-L233 HydrophobicContact SD-CB 4.43Å; M220-L233 HydrophobicContact SD-CD2 3.89Å; M220-L233 HydrophobicContact SD-CG 3.92Å; L228-L233 HydrophobicContact CD1-CD1 4.03Å; L228-L233 HydrophobicContact CD1-CD2 4.33Å; D229-L233 PolarHBondContact O-N 3.11Å; P230-L233 PolarHBondContact O-N 2.66Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-K235 PolarHBondContact O-N 3.28Å; L233-I236 PolarHBondContact O-N 3.21Å; L233-I236 VanDerWaalsContact O-N 3.13Å; L233-L237 HydrophobicContact CD1-CD1 4.41Å; L233-L237 HydrophobicContact CD1-CG 4.18Å; L233-L237 HydrophobicContact CG-CD1 4.18Å; L233-L237 HydrophobicContact CG-CG 4.4Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 3.13Å
234	A	98.6	Very high	98.4	Very high	3 Å²	3	84 Å²	84	3%	0.025	45%	0.449	C	S	.	.	H	α-helix	trans	-57.7	-43.3	175.8	0	0	0	0	0	111.7	M220 P230 I236 L237 N238 V256	M220-A234 HydrophobicContact CE-CB 4.16Å; M220-A234 HydrophobicContact SD-CB 4.45Å; P230-A234 VanDerWaalsContact O-CB 3.31Å; P230-A234 WeakPolarHBondContact O-CB 2.99Å; P230-A234 PolarHBondContact O-N 2.97Å; A234-I236 PolarHBondContact O-N 3.4Å; A234-L237 PolarHBondContact O-N 3.14Å; A234-N238 VanDerWaalsContact O-CB 3.26Å; A234-N238 WeakPolarHBondContact O-CB 3.41Å; A234-N238 PolarHBondContact O-N 3.25Å; A234-N238 PolarHBondContact O-ND2 3.24Å; A234-N238 VanDerWaalsContact O-ND2 3.13Å; A234-V256 HydrophobicContact CB-CG1 3.52Å
235	K	98.5	Very high	98.2	Very high	143 Å²	143	86.8 Å²	86.8	62%	0.622	46%	0.455	S	S	*	.	H	α-helix	trans	-57.9	-46.9	174.5	-178.1	-179.1	177.7	-178.6	0	111.8	K231 L232 L233 N238 M239	K231-K235 WeakPolarHBondContact O-CB 3.42Å; K231-K235 PolarHBondContact O-N 3.3Å; L232-K235 WeakPolarHBondContact O-CB 3.32Å; L232-K235 PolarHBondContact O-N 3.13Å; L233-K235 VanDerWaalsContact C-N 3.3Å; L233-K235 PolarHBondContact O-N 3.28Å; K235-N238 PolarHBondContact O-N 3.36Å; K235-M239 WeakPolarHBondContact O-CG 3.24Å; K235-M239 PolarHBondContact O-N 3.27Å
236	I	98.6	Very high	98.1	Very high	79 Å²	79	77.5 Å²	77.5	41%	0.405	42%	0.421	S	S	.	.	H	α-helix	trans	-62	-49	178.9	-68.9	168.1	0	0	0	110.8	L232 L233 A234 N238 M239 S240	L232-I236 HydrophobicContact CD1-CD1 4.25Å; L232-I236 HydrophobicContact CG-CD1 4.13Å; L232-I236 WeakPolarHBondContact O-CG1 3.26Å; L232-I236 PolarHBondContact O-N 3.3Å; L233-I236 PolarHBondContact O-N 3.21Å; L233-I236 VanDerWaalsContact O-N 3.13Å; A234-I236 PolarHBondContact O-N 3.4Å; I236-N238 VanDerWaalsContact C-N 3.28Å; I236-N238 PolarHBondContact O-N 2.7Å; I236-M239 WeakPolarHBondContact O-CG 3.35Å; I236-M239 PolarHBondContact O-N 3.26Å; I236-S240 VanDerWaalsContact O-CB 3.24Å; I236-S240 WeakPolarHBondContact O-CB 3.41Å; I236-S240 PolarHBondContact O-N 2.95Å; I236-S240 PolarHBondContact O-OG 3.37Å
237	L	98.4	Very high	98	Very high	27 Å²	27	71.3 Å²	71.3	14%	0.141	39%	0.388	C	S	.	.	H	α-helix	trans	-56.4	-45.3	177.7	-68	175.2	0	0	0	111	T219 M220 L233 A234 M239 S240 R243	T219-L237 HydrophobicContact CG2-CD1 4.13Å; T219-L237 HydrophobicContact CG2-CD2 4.08Å; M220-L237 HydrophobicContact SD-CD1 3.81Å; L233-L237 HydrophobicContact CD1-CD1 4.41Å; L233-L237 HydrophobicContact CD1-CG 4.18Å; L233-L237 HydrophobicContact CG-CD1 4.18Å; L233-L237 HydrophobicContact CG-CG 4.4Å; L233-L237 WeakPolarHBondContact O-CG 3.47Å; L233-L237 PolarHBondContact O-N 3.13Å; A234-L237 PolarHBondContact O-N 3.14Å; L237-M239 PolarHBondContact O-N 3.37Å; L237-S240 PolarHBondContact O-N 3.39Å; L237-S240 VanDerWaalsContact O-N 3.14Å; L237-R243 WeakPolarHBondContact O-CA 3.03Å; L237-R243 WeakPolarHBondContact O-CB 2.98Å; L237-R243 PolarHBondContact O-N 3.13Å
238	N	98.4	Very high	97.9	Very high	40 Å²	40	70.8 Å²	70.8	21%	0.214	37%	0.37	C	S	.	.	H	α-helix	trans	-75.6	-5.4	-174.6	-64.9	-19.5	0	0	0	114.6	A234 K235 I236 R243 S247 D248	A234-N238 VanDerWaalsContact O-CB 3.26Å; A234-N238 WeakPolarHBondContact O-CB 3.41Å; A234-N238 PolarHBondContact O-N 3.25Å; A234-N238 PolarHBondContact O-ND2 3.24Å; A234-N238 VanDerWaalsContact O-ND2 3.13Å; K235-N238 PolarHBondContact O-N 3.36Å; I236-N238 VanDerWaalsContact C-N 3.28Å; I236-N238 PolarHBondContact O-N 2.7Å; N238-R243 VanDerWaalsContact O-CD 3.26Å; N238-R243 WeakPolarHBondContact O-CD 3.39Å; N238-S247 PolarHBondContact ND2-O 3.35Å; N238-S247 VanDerWaalsContact OD1-C 3.24Å; N238-S247 VanDerWaalsContact OD1-CB 3.26Å; N238-S247 WeakPolarHBondContact OD1-CB 3.15Å; N238-S247 PolarHBondContact OD1-O 2.93Å; N238-S247 PolarHBondContact OD1-OG 2.9Å; N238-D248 HydrophobicContact CB-CB 4.14Å; N238-D248 WeakPolarHBondContact ND2-CA 3.33Å; N238-D248 WeakPolarHBondContact OD1-CB 3.46Å; N238-D248 PolarHBondContact OD1-N 2.97Å
239	M	97.8	Very high	97.6	Very high	143 Å²	143	70.3 Å²	70.3	70%	0.704	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	7.9	170.7	67.5	-176.5	-81.2	0	0	113.3	K235 I236 L237	K235-M239 WeakPolarHBondContact O-CG 3.24Å; K235-M239 PolarHBondContact O-N 3.27Å; I236-M239 WeakPolarHBondContact O-CG 3.35Å; I236-M239 PolarHBondContact O-N 3.26Å; L237-M239 PolarHBondContact O-N 3.37Å
240	S	98.3	Very high	97.4	Very high	60 Å²	60	69 Å²	69	42%	0.42	36%	0.359	S	S	.	.	S	Bend	trans	-124.6	-176.1	-175.1	-56	0	0	0	0	111.4	I236 L237 G242 R243	I236-S240 VanDerWaalsContact O-CB 3.24Å; I236-S240 WeakPolarHBondContact O-CB 3.41Å; I236-S240 PolarHBondContact O-N 2.95Å; I236-S240 PolarHBondContact O-OG 3.37Å; L237-S240 PolarHBondContact O-N 3.39Å; L237-S240 VanDerWaalsContact O-N 3.14Å; S240-G242 PolarHBondContact O-N 3.38Å; S240-R243 WeakPolarHBondContact O-CB 3.46Å; S240-R243 PolarHBondContact O-N 3.2Å
241	S	98.3	Very high	97.4	Very high	132 Å²	132	67.3 Å²	67.3	92%	0.923	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.1	178.6	52.8	0	0	0	0	114.5	R243	S241-R243 VanDerWaalsContact C-N 3.25Å; S241-R243 PolarHBondContact O-N 2.89Å
242	G	97.6	Very high	97.4	Very high	43 Å²	43	61.9 Å²	61.9	44%	0.443	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-5.1	176.2	0	0	0	0	0	114.7	S240 C244	S240-G242 PolarHBondContact O-N 3.38Å; G242-C244 PolarHBondContact O-N 3.03Å
243	R	98.3	Very high	97.4	Very high	159 Å²	159	58.9 Å²	58.9	60%	0.6	31%	0.312	S	S	*	.			trans	-60.8	129.2	-177.2	-175.8	-179.1	78.5	168	3.8	111.5	L237 N238 S240 S241 D248	L237-R243 WeakPolarHBondContact O-CA 3.03Å; L237-R243 WeakPolarHBondContact O-CB 2.98Å; L237-R243 PolarHBondContact O-N 3.13Å; N238-R243 VanDerWaalsContact O-CD 3.26Å; N238-R243 WeakPolarHBondContact O-CD 3.39Å; S240-R243 WeakPolarHBondContact O-CB 3.46Å; S240-R243 PolarHBondContact O-N 3.2Å; S241-R243 VanDerWaalsContact C-N 3.25Å; S241-R243 PolarHBondContact O-N 2.89Å; R243-D248 WeakPolarHBondContact CD-OD2 3.34Å; R243-D248 HydrophobicContact CG-CB 4.31Å
244	C	97.3	Very high	97.3	Very high	41 Å²	41	61.8 Å²	61.8	28%	0.277	33%	0.332	S	S	.	.			trans	-146	169.7	167.2	66.7	0	0	0	0	110.9	T216 G242 S246 S247 D248	T216-C244 PolarHBondContact OG1-SG 3.06Å; G242-C244 PolarHBondContact O-N 3.03Å; C244-S246 PolarHBondContact O-N 3.12Å; C244-S247 PolarHBondContact N-OG 3.16Å; C244-S247 VanDerWaalsContact N-OG 3.13Å; C244-S247 PolarHBondContact O-N 2.57Å; C244-S247 PolarHBondContact O-OG 2.81Å; C244-D248 PolarHBondContact O-N 3.39Å
245	W	94.9	Very high	97.2	Very high	124 Å²	124	64.1 Å²	64.1	47%	0.47	36%	0.355	S	S	.	.	H	α-helix	trans	-54.5	-39.4	179.4	-178	86.4	0	0	0	112.8	L209 S247 D248 T249 Y250	L209-W245 HydrophobicContact CD1-CE3 3.46Å; L209-W245 VanDerWaalsContact CD1-CE3 3.46Å; L209-W245 HydrophobicContact CD1-CZ3 3.69Å; W245-S247 PolarHBondContact O-N 2.87Å; W245-D248 WeakPolarHBondContact CA-OD1 3.4Å; W245-T249 HydrophobicContact CZ2-CG2 4.29Å; W245-T249 VanDerWaalsContact NE1-CG2 3.34Å; W245-T249 WeakPolarHBondContact O-CB 3.24Å; W245-T249 PolarHBondContact O-N 2.96Å; W245-Y250 AromaticContact CH2-CD1 3.8Å; W245-Y250 HydrophobicContact CH2-CD1 3.8Å; W245-Y250 AromaticContact CH2-CD2 3.48Å; W245-Y250 HydrophobicContact CH2-CD2 3.48Å; W245-Y250 VanDerWaalsContact CH2-CD2 3.48Å; W245-Y250 HydrophobicContact CH2-CE1 4.36Å; W245-Y250 HydrophobicContact CH2-CE2 4.09Å; W245-Y250 AromaticContact CH2-CG 3.28Å; W245-Y250 HydrophobicContact CH2-CG 3.28Å; W245-Y250 AromaticContact CZ2-CD2 3.92Å; W245-Y250 HydrophobicContact CZ2-CD2 3.92Å; W245-Y250 HydrophobicContact CZ2-CG 4.06Å; W245-Y250 AromaticContact CZ3-CD1 3.87Å; W245-Y250 HydrophobicContact CZ3-CD1 3.87Å; W245-Y250 HydrophobicContact CZ3-CD2 4.24Å; W245-Y250 AromaticContact CZ3-CG 3.56Å; W245-Y250 HydrophobicContact CZ3-CG 3.56Å; W245-Y250 PolarHBondContact O-N 2.97Å; W245-Y250 VanDerWaalsContact O-N 3.13Å
246	S	96.4	Very high	97.2	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-62	-29.1	177.5	-57.4	0	0	0	0	112.8	M213 C244 Y250 N251	M213-S246 PolarHBondContact N-OG 3Å; C244-S246 PolarHBondContact O-N 3.12Å; S246-Y250 CarbonylContact O-C 3.24Å; S246-Y250 VanDerWaalsContact O-O 3.1Å; S246-N251 WeakPolarHBondContact O-CA 3.4Å; S246-N251 PolarHBondContact O-N 3.41Å
247	S	97.7	Very high	97.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.007	33%	0.326	C	S	.	.	H	α-helix	trans	-92.4	-34.5	-178.7	71.3	0	0	0	0	113.4	N238 C244 W245 N251	N238-S247 PolarHBondContact ND2-O 3.35Å; N238-S247 VanDerWaalsContact OD1-C 3.24Å; N238-S247 VanDerWaalsContact OD1-CB 3.26Å; N238-S247 WeakPolarHBondContact OD1-CB 3.15Å; N238-S247 PolarHBondContact OD1-O 2.93Å; N238-S247 PolarHBondContact OD1-OG 2.9Å; C244-S247 PolarHBondContact N-OG 3.16Å; C244-S247 VanDerWaalsContact N-OG 3.13Å; C244-S247 PolarHBondContact O-N 2.57Å; C244-S247 PolarHBondContact O-OG 2.81Å; W245-S247 PolarHBondContact O-N 2.87Å; S247-N251 PolarHBondContact O-ND2 3.13Å
248	D	96.1	Very high	96.8	Very high	55 Å²	55	64.9 Å²	64.9	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-102.8	-17.4	-171.6	76.8	2	0	0	0	115.5	N238 R243 C244 W245 M257	N238-D248 HydrophobicContact CB-CB 4.14Å; N238-D248 WeakPolarHBondContact ND2-CA 3.33Å; N238-D248 WeakPolarHBondContact OD1-CB 3.46Å; N238-D248 PolarHBondContact OD1-N 2.97Å; R243-D248 WeakPolarHBondContact CD-OD2 3.34Å; R243-D248 HydrophobicContact CG-CB 4.31Å; C244-D248 PolarHBondContact O-N 3.39Å; W245-D248 WeakPolarHBondContact CA-OD1 3.4Å; D248-M257 WeakPolarHBondContact O-CE 3.48Å
249	T	92.1	Very high	96.3	Very high	67 Å²	67	67.2 Å²	67.2	41%	0.411	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-21.5	-177.1	-53.4	0	0	0	0	112.4	W245 M257 V260	W245-T249 HydrophobicContact CZ2-CG2 4.29Å; W245-T249 VanDerWaalsContact NE1-CG2 3.34Å; W245-T249 WeakPolarHBondContact O-CB 3.24Å; W245-T249 PolarHBondContact O-N 2.96Å; T249-M257 VanDerWaalsContact O-SD 3.33Å; T249-V260 WeakPolarHBondContact O-CG1 3.46Å
250	Y	94.5	Very high	96	Very high	62 Å²	62	61 Å²	61	24%	0.243	37%	0.365	C	S	.	.	S	Bend	trans	-141.9	42.6	-174.5	-141.5	-110.1	0	0	0	113.9	M213 W245 S246 V260 P261 G269	M213-Y250 HydrophobicContact CE-CD1 3.93Å; W245-Y250 AromaticContact CH2-CD1 3.8Å; W245-Y250 HydrophobicContact CH2-CD1 3.8Å; W245-Y250 AromaticContact CH2-CD2 3.48Å; W245-Y250 HydrophobicContact CH2-CD2 3.48Å; W245-Y250 VanDerWaalsContact CH2-CD2 3.48Å; W245-Y250 HydrophobicContact CH2-CE1 4.36Å; W245-Y250 HydrophobicContact CH2-CE2 4.09Å; W245-Y250 AromaticContact CH2-CG 3.28Å; W245-Y250 HydrophobicContact CH2-CG 3.28Å; W245-Y250 AromaticContact CZ2-CD2 3.92Å; W245-Y250 HydrophobicContact CZ2-CD2 3.92Å; W245-Y250 HydrophobicContact CZ2-CG 4.06Å; W245-Y250 AromaticContact CZ3-CD1 3.87Å; W245-Y250 HydrophobicContact CZ3-CD1 3.87Å; W245-Y250 HydrophobicContact CZ3-CD2 4.24Å; W245-Y250 AromaticContact CZ3-CG 3.56Å; W245-Y250 HydrophobicContact CZ3-CG 3.56Å; W245-Y250 PolarHBondContact O-N 2.97Å; W245-Y250 VanDerWaalsContact O-N 3.13Å; S246-Y250 CarbonylContact O-C 3.24Å; S246-Y250 VanDerWaalsContact O-O 3.1Å; Y250-V260 HydrophobicContact CD2-CB 4.34Å; Y250-V260 HydrophobicContact CD2-CG1 3.9Å; Y250-V260 HydrophobicContact CE2-CG1 4.41Å; Y250-P261 HydrophobicContact CE1-CG 3.82Å; Y250-P261 VanDerWaalsContact CE2-CD 3.5Å; Y250-P261 HydrophobicContact CE2-CG 4.19Å; Y250-P261 VanDerWaalsContact CZ-CG 3.41Å; Y250-P261 VanDerWaalsContact OH-CD 3.28Å; Y250-P261 WeakPolarHBondContact OH-CD 3.33Å; Y250-P261 WeakPolarHBondContact OH-CG 3.43Å; Y250-G269 WeakPolarHBondContact OH-CA 3.31Å
251	N	97.9	Very high	95.7	Very high	0 Å²	0	59 Å²	59	0%	0	35%	0.351	C	S	.	.			trans	-55	127.1	-169.4	-160.9	-73.1	0	0	0	112.4	S246 S247 V253 V256 M257 S262	S246-N251 WeakPolarHBondContact O-CA 3.4Å; S246-N251 PolarHBondContact O-N 3.41Å; S247-N251 PolarHBondContact O-ND2 3.13Å; N251-V253 VanDerWaalsContact C-N 3.26Å; N251-V253 PolarHBondContact O-N 2.9Å; N251-V253 PolarHBondContact OD1-N 3.37Å; N251-V253 VanDerWaalsContact OD1-N 3.16Å; N251-V256 HydrophobicContact CB-CB 4.43Å; N251-V256 HydrophobicContact CB-CG1 4.03Å; N251-M257 HydrophobicContact CB-CB 4.23Å; N251-M257 HydrophobicContact CB-CE 4.18Å; N251-S262 WeakPolarHBondContact O-CB 3.44Å; N251-S262 PolarHBondContact O-OG 2.9Å
252	P	97.8	Very high	95.6	Very high	14 Å²	14	53 Å²	53	9%	0.091	31%	0.309	C	S	.	.	S	Bend	trans	-75.2	-11.8	-172.7	29.2	-35.3	0	0	0	113.6	M213 T216 S217 S262 Y266	M213-P252 HydrophobicContact SD-CB 3.88Å; M213-P252 HydrophobicContact SD-CG 4.05Å; T216-P252 HydrophobicContact CG2-CG 3.9Å; S217-P252 WeakPolarHBondContact OG-CG 3.45Å; P252-S262 VanDerWaalsContact O-CB 3.23Å; P252-S262 WeakPolarHBondContact O-CB 3.46Å; P252-Y266 PolarHBondContact O-OH 3.41Å
253	V	98.3	Very high	95.4	Very high	25 Å²	25	53.5 Å²	53.5	15%	0.152	31%	0.314	C	S	.	.	S	Bend	trans	-89.7	123.4	-175.7	-176.9	0	0	0	0	111.1	M220 I224 P230 N251 G255 V256	M220-V253 HydrophobicContact CB-CG2 3.63Å; M220-V253 HydrophobicContact CE-CB 4.07Å; M220-V253 HydrophobicContact CE-CG2 3.61Å; M220-V253 HydrophobicContact CG-CG2 3.98Å; I224-V253 HydrophobicContact CD1-CG1 4.18Å; I224-V253 HydrophobicContact CD1-CG2 4.44Å; P230-V253 HydrophobicContact CB-CG1 4.1Å; P230-V253 HydrophobicContact CG-CG1 4.47Å; N251-V253 VanDerWaalsContact C-N 3.26Å; N251-V253 PolarHBondContact O-N 2.9Å; N251-V253 PolarHBondContact OD1-N 3.37Å; N251-V253 VanDerWaalsContact OD1-N 3.16Å; V253-G255 PolarHBondContact O-N 3.29Å; V253-V256 HydrophobicContact CB-CG2 3.79Å; V253-V256 HydrophobicContact CG1-CG2 3.92Å; V253-V256 WeakPolarHBondContact O-CB 3.36Å; V253-V256 PolarHBondContact O-N 3.16Å
254	P	98.3	Very high	95.2	Very high	77 Å²	77	50.7 Å²	50.7	50%	0.5	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	136.4	176.7	-26.2	34.7	0	0	0	112.6	V256 S262	P254-V256 VanDerWaalsContact C-N 3.3Å; P254-V256 PolarHBondContact O-N 2.98Å; P254-S262 WeakPolarHBondContact CB-O 3.43Å; P254-S262 WeakPolarHBondContact CG-O 3.31Å
255	G	96.7	Very high	95.1	Very high	51 Å²	51	55.1 Å²	55.1	53%	0.526	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	82	-5.4	177.9	0	0	0	0	0	115.6	K231 V253	K231-G255 WeakPolarHBondContact CE-O 3.33Å; V253-G255 PolarHBondContact O-N 3.29Å
256	V	97.6	Very high	95	Very high	30 Å²	30	55.8 Å²	55.8	18%	0.182	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-39.3	173.5	173.1	0	0	0	0	111.8	M220 P230 A234 N251 V253 P254	M220-V256 HydrophobicContact CE-CG2 4.13Å; P230-V256 HydrophobicContact CB-CG2 3.63Å; A234-V256 HydrophobicContact CB-CG1 3.52Å; N251-V256 HydrophobicContact CB-CB 4.43Å; N251-V256 HydrophobicContact CB-CG1 4.03Å; V253-V256 HydrophobicContact CB-CG2 3.79Å; V253-V256 HydrophobicContact CG1-CG2 3.92Å; V253-V256 WeakPolarHBondContact O-CB 3.36Å; V253-V256 PolarHBondContact O-N 3.16Å; P254-V256 VanDerWaalsContact C-N 3.3Å; P254-V256 PolarHBondContact O-N 2.98Å
257	M	95.9	Very high	94.6	Very high	47 Å²	47	61.7 Å²	61.7	23%	0.232	36%	0.362	C	S	.	.	S	Bend	trans	-137.1	140.9	-175	-171.8	175.4	-71	0	0	110.8	D248 T249 N251 V260	D248-M257 WeakPolarHBondContact O-CE 3.48Å; T249-M257 VanDerWaalsContact O-SD 3.33Å; N251-M257 HydrophobicContact CB-CB 4.23Å; N251-M257 HydrophobicContact CB-CE 4.18Å; M257-V260 HydrophobicContact CB-CG2 3.82Å; M257-V260 HydrophobicContact CG-CG1 4Å; M257-V260 HydrophobicContact CG-CG2 4.07Å; M257-V260 WeakPolarHBondContact O-CG2 3.18Å; M257-V260 HydrophobicContact SD-CG1 3.59Å; M257-V260 VanDerWaalsContact SD-CG1 3.59Å; M257-V260 HydrophobicContact SD-CG2 4.41Å
258	E	93.1	Very high	93.9	Very high	188 Å²	188	64.6 Å²	64.6	88%	0.879	39%	0.393	S	S	*	.	S	Bend	trans	-87.5	156.1	174.4	-64.4	-177.9	-178.9	0	0	111	V260	E258-V260 PolarHBondContact O-N 2.73Å
259	G	87.9	Confident	93.2	Very high	89 Å²	89	64.2 Å²	64.2	92%	0.918	40%	0.402	S	S	*	.	S	Bend	trans	72.2	8.5	174.8	0	0	0	0	0	115.7
260	V	91.1	Very high	92.8	Very high	13 Å²	13	65.2 Å²	65.2	8%	0.079	40%	0.4	C	S	.	.	S	Bend	trans	-111.2	156.7	175.3	-63.3	0	0	0	0	111.2	T249 Y250 M257 E258 S262 G263	T249-V260 WeakPolarHBondContact O-CG1 3.46Å; Y250-V260 HydrophobicContact CD2-CB 4.34Å; Y250-V260 HydrophobicContact CD2-CG1 3.9Å; Y250-V260 HydrophobicContact CE2-CG1 4.41Å; M257-V260 HydrophobicContact CB-CG2 3.82Å; M257-V260 HydrophobicContact CG-CG1 4Å; M257-V260 HydrophobicContact CG-CG2 4.07Å; M257-V260 WeakPolarHBondContact O-CG2 3.18Å; M257-V260 HydrophobicContact SD-CG1 3.59Å; M257-V260 VanDerWaalsContact SD-CG1 3.59Å; M257-V260 HydrophobicContact SD-CG2 4.41Å; E258-V260 PolarHBondContact O-N 2.73Å; V260-S262 VanDerWaalsContact CG2-OG 3.31Å; V260-S262 WeakPolarHBondContact CG2-OG 3.42Å; V260-S262 PolarHBondContact O-N 3.46Å; V260-S262 VanDerWaalsContact O-N 3.16Å; V260-G263 PolarHBondContact O-N 3Å
261	P	92.9	Very high	92.3	Very high	18 Å²	18	63.8 Å²	63.8	12%	0.117	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-59.2	-30.4	-175.3	-25.4	33.2	0	0	0	114.7	Y250 G263 N264 N265 Y266	Y250-P261 HydrophobicContact CE1-CG 3.82Å; Y250-P261 VanDerWaalsContact CE2-CD 3.5Å; Y250-P261 HydrophobicContact CE2-CG 4.19Å; Y250-P261 VanDerWaalsContact CZ-CG 3.41Å; Y250-P261 VanDerWaalsContact OH-CD 3.28Å; Y250-P261 WeakPolarHBondContact OH-CD 3.33Å; Y250-P261 WeakPolarHBondContact OH-CG 3.43Å; P261-G263 PolarHBondContact O-N 3.26Å; P261-N264 CarbonylContact O-C 3.55Å; P261-N264 VanDerWaalsContact O-C 3.24Å; P261-N264 WeakPolarHBondContact O-CA 3.48Å; P261-N264 PolarHBondContact O-N 3.03Å; P261-N265 PolarHBondContact O-N 2.96Å; P261-Y266 VanDerWaalsContact O-CA 3.23Å; P261-Y266 WeakPolarHBondContact O-CA 3.23Å; P261-Y266 PolarHBondContact O-N 3.23Å
262	S	95.5	Very high	91.7	Very high	6 Å²	6	69.6 Å²	69.6	4%	0.042	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-59.8	-29	177.1	60.3	0	0	0	0	112.4	N251 P252 P254 V260 N264	N251-S262 WeakPolarHBondContact O-CB 3.44Å; N251-S262 PolarHBondContact O-OG 2.9Å; P252-S262 VanDerWaalsContact O-CB 3.23Å; P252-S262 WeakPolarHBondContact O-CB 3.46Å; P254-S262 WeakPolarHBondContact CB-O 3.43Å; P254-S262 WeakPolarHBondContact CG-O 3.31Å; V260-S262 VanDerWaalsContact CG2-OG 3.31Å; V260-S262 WeakPolarHBondContact CG2-OG 3.42Å; V260-S262 PolarHBondContact O-N 3.46Å; V260-S262 VanDerWaalsContact O-N 3.16Å; S262-N264 VanDerWaalsContact C-N 3.29Å; S262-N264 PolarHBondContact O-N 3.23Å
263	G	93.6	Very high	91.1	Very high	54 Å²	54	77 Å²	77	56%	0.557	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-78.9	-4.8	171.9	0	0	0	0	0	114.8	V260 P261	V260-G263 PolarHBondContact O-N 3Å; P261-G263 PolarHBondContact O-N 3.26Å
264	N	93.7	Very high	90.3	Very high	100 Å²	100	79.7 Å²	79.7	54%	0.535	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-133.8	44.9	-178.1	-170.5	32.3	0	0	0	111.6	P261 S262 Y266 Q267	P261-N264 CarbonylContact O-C 3.55Å; P261-N264 VanDerWaalsContact O-C 3.24Å; P261-N264 WeakPolarHBondContact O-CA 3.48Å; P261-N264 PolarHBondContact O-N 3.03Å; S262-N264 VanDerWaalsContact C-N 3.29Å; S262-N264 PolarHBondContact O-N 3.23Å; N264-Y266 PolarHBondContact O-N 3.35Å; N264-Q267 WeakPolarHBondContact O-CB 3.38Å; N264-Q267 WeakPolarHBondContact O-CG 3.23Å; N264-Q267 PolarHBondContact O-N 3.17Å
265	N	94.7	Very high	89.8	Confident	133 Å²	133	77.8 Å²	77.8	71%	0.711	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	36.6	178.5	-62	-23.2	0	0	0	113.9	P261 Q267	P261-N265 PolarHBondContact O-N 2.96Å; N265-Q267 PolarHBondContact O-N 3.06Å; N265-Q267 VanDerWaalsContact O-N 3.14Å; N265-Q267 PolarHBondContact O-NE2 3.46Å
266	Y	93	Very high	89.3	Confident	139 Å²	139	77.9 Å²	77.9	55%	0.545	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	22.9	-178.5	-51.1	-85.9	0	0	0	114.8	P252 P261 N264	P252-Y266 PolarHBondContact O-OH 3.41Å; P261-Y266 VanDerWaalsContact O-CA 3.23Å; P261-Y266 WeakPolarHBondContact O-CA 3.23Å; P261-Y266 PolarHBondContact O-N 3.23Å; N264-Y266 PolarHBondContact O-N 3.35Å
267	Q	87.9	Confident	88.5	Confident	127 Å²	127	78.6 Å²	78.6	59%	0.593	47%	0.468	S	S	*	.			trans	-75.1	143.3	176	-62	-58.7	-46.8	0	0	111.5	N264 N265	N264-Q267 WeakPolarHBondContact O-CB 3.38Å; N264-Q267 WeakPolarHBondContact O-CG 3.23Å; N264-Q267 PolarHBondContact O-N 3.17Å; N265-Q267 PolarHBondContact O-N 3.06Å; N265-Q267 VanDerWaalsContact O-N 3.14Å; N265-Q267 PolarHBondContact O-NE2 3.46Å
268	G	82.6	Confident	87.5	Confident	62 Å²	62	76.6 Å²	76.6	64%	0.639	46%	0.458	S	S	*	.	S	Bend	trans	71.7	-144.8	-178.4	0	0	0	0	0	113.1
269	G	82.4	Confident	86.2	Confident	47 Å²	47	69.7 Å²	69.7	49%	0.485	43%	0.43	S	S	.	.	S	Bend	trans	66.5	-149.2	179.1	0	0	0	0	0	114.2	Y250	Y250-G269 WeakPolarHBondContact OH-CA 3.31Å
270	F	82.9	Confident	85.3	Confident	88 Å²	88	70.6 Å²	70.6	39%	0.386	41%	0.414	S	S	.	.	S	Bend	trans	-97.9	106.2	175.5	-174.4	-117.1	0	0	0	109.8	L274 M275 V278	F270-L274 HydrophobicContact CD2-CB 4.17Å; F270-L274 HydrophobicContact CD2-CD1 4.15Å; F270-L274 HydrophobicContact CE1-CB 4.38Å; F270-L274 HydrophobicContact CE2-CB 3.54Å; F270-L274 HydrophobicContact CE2-CD1 4.03Å; F270-L274 HydrophobicContact CE2-CG 4.43Å; F270-L274 HydrophobicContact CZ-CB 3.66Å; F270-M275 HydrophobicContact CD1-CB 4.18Å; F270-M275 HydrophobicContact CD1-CE 3.84Å; F270-M275 HydrophobicContact CE1-CB 3.7Å; F270-M275 HydrophobicContact CE1-CE 3.62Å; F270-M275 HydrophobicContact CE1-CG 4.38Å; F270-M275 HydrophobicContact CE1-SD 3.92Å; F270-V278 HydrophobicContact CZ-CG2 4.4Å
271	G	84.5	Confident	83.9	Confident	31 Å²	31	71.2 Å²	71.2	32%	0.32	42%	0.415	S	S	.	.			trans	-60.8	145.3	-171.8	0	0	0	0	0	114	Q273 L274 M275	G271-Q273 VanDerWaalsContact C-N 3.27Å; G271-Q273 PolarHBondContact O-N 3.45Å; G271-L274 WeakPolarHBondContact O-CA 3.31Å; G271-L274 WeakPolarHBondContact O-CB 3.5Å; G271-L274 PolarHBondContact O-N 3.47Å; G271-M275 PolarHBondContact O-N 3.26Å; G271-M275 VanDerWaalsContact O-N 3.08Å
272	T	86.4	Confident	82	Confident	122 Å²	122	73.4 Å²	73.4	75%	0.748	43%	0.428	S	S	*	.	H	α-helix	trans	-57.4	-38.5	-179.7	50.9	0	0	0	0	112.7	L274 M275 A276	T272-L274 VanDerWaalsContact C-N 3.31Å; T272-L274 PolarHBondContact O-N 2.99Å; T272-M275 PolarHBondContact O-N 2.94Å; T272-A276 WeakPolarHBondContact O-CB 3.36Å; T272-A276 PolarHBondContact O-N 3.32Å
273	Q	84.1	Confident	79.7	Confident	170 Å²	170	77.4 Å²	77.4	79%	0.794	45%	0.453	S	S	*	.	H	α-helix	trans	-61.2	-38.8	174.7	-67	179.3	-6.6	0	0	112.3	G271 K277	G271-Q273 VanDerWaalsContact C-N 3.27Å; G271-Q273 PolarHBondContact O-N 3.45Å; Q273-K277 WeakPolarHBondContact O-CB 3.42Å; Q273-K277 PolarHBondContact O-N 3.14Å
274	L	82.3	Confident	77.4	Confident	82 Å²	82	82.6 Å²	82.6	43%	0.429	46%	0.462	S	S	.	.	H	α-helix	trans	-69.3	-38.5	176.6	-63.2	174.5	0	0	0	111.1	F270 G271 T272 K277 V278	F270-L274 HydrophobicContact CD2-CB 4.17Å; F270-L274 HydrophobicContact CD2-CD1 4.15Å; F270-L274 HydrophobicContact CE1-CB 4.38Å; F270-L274 HydrophobicContact CE2-CB 3.54Å; F270-L274 HydrophobicContact CE2-CD1 4.03Å; F270-L274 HydrophobicContact CE2-CG 4.43Å; F270-L274 HydrophobicContact CZ-CB 3.66Å; G271-L274 WeakPolarHBondContact O-CA 3.31Å; G271-L274 WeakPolarHBondContact O-CB 3.5Å; G271-L274 PolarHBondContact O-N 3.47Å; T272-L274 VanDerWaalsContact C-N 3.31Å; T272-L274 PolarHBondContact O-N 2.99Å; L274-K277 PolarHBondContact O-N 2.96Å; L274-V278 WeakPolarHBondContact O-CG2 3.37Å; L274-V278 PolarHBondContact O-N 3.15Å; L274-V278 VanDerWaalsContact O-N 3.12Å
275	M	87.9	Confident	74.8	Confident	36 Å²	36	85.6 Å²	85.6	18%	0.177	49%	0.491	C	S	.	.	H	α-helix	trans	-65	-45.2	175	-175.9	56.6	86.2	0	0	112.2	N206 L209 A210 F270 G271 T272 K277 V278 S279	N206-M275 HydrophobicContact CB-SD 4.45Å; L209-M275 HydrophobicContact CD2-CE 3.77Å; L209-M275 HydrophobicContact CG-CE 3.95Å; A210-M275 HydrophobicContact CB-CE 4.42Å; A210-M275 HydrophobicContact CB-CG 4.36Å; A210-M275 HydrophobicContact CB-SD 3.97Å; F270-M275 HydrophobicContact CD1-CB 4.18Å; F270-M275 HydrophobicContact CD1-CE 3.84Å; F270-M275 HydrophobicContact CE1-CB 3.7Å; F270-M275 HydrophobicContact CE1-CE 3.62Å; F270-M275 HydrophobicContact CE1-CG 4.38Å; F270-M275 HydrophobicContact CE1-SD 3.92Å; G271-M275 PolarHBondContact O-N 3.26Å; G271-M275 VanDerWaalsContact O-N 3.08Å; T272-M275 PolarHBondContact O-N 2.94Å; M275-K277 VanDerWaalsContact C-N 3.34Å; M275-K277 PolarHBondContact O-N 3.03Å; M275-V278 PolarHBondContact O-N 3.21Å; M275-S279 PolarHBondContact O-N 3.45Å; M275-S279 VanDerWaalsContact O-N 3.1Å; M275-S279 PolarHBondContact O-OG 3.4Å
276	A	85.6	Confident	73.8	Confident	53 Å²	53	83.3 Å²	83.3	44%	0.438	48%	0.48	S	S	.	.	H	α-helix	trans	-59.7	-45.5	176.6	0	0	0	0	0	111.1	T272 V278 S279 L280	T272-A276 WeakPolarHBondContact O-CB 3.36Å; T272-A276 PolarHBondContact O-N 3.32Å; A276-V278 PolarHBondContact O-N 2.95Å; A276-S279 WeakPolarHBondContact O-CB 2.89Å; A276-S279 PolarHBondContact O-N 3.44Å; A276-S279 VanDerWaalsContact O-N 3.09Å; A276-L280 WeakPolarHBondContact O-CG 3.42Å; A276-L280 PolarHBondContact O-N 3.49Å; A276-L280 VanDerWaalsContact O-N 3.07Å
277	K	81.3	Confident	72.8	Confident	46 Å²	46	80.3 Å²	80.3	20%	0.2	48%	0.477	C	S	.	.	H	α-helix	trans	-54.7	-48.7	175	-179.7	-161.6	159	-158.4	0	112.1	P97 T127 Q273 L274 M275 S279 L280 F281	P97-K277 PolarHBondContact O-NZ 3.45Å; T127-K277 PolarHBondContact O-NZ 2.96Å; Q273-K277 WeakPolarHBondContact O-CB 3.42Å; Q273-K277 PolarHBondContact O-N 3.14Å; L274-K277 PolarHBondContact O-N 2.96Å; M275-K277 VanDerWaalsContact C-N 3.34Å; M275-K277 PolarHBondContact O-N 3.03Å; K277-S279 PolarHBondContact O-N 2.78Å; K277-L280 PolarHBondContact O-N 2.84Å; K277-F281 HydrophobicContact CG-CE2 4.37Å; K277-F281 HydrophobicContact CG-CZ 4.35Å
278	V	75.1	Confident	71.9	Confident	5 Å²	5	77.7 Å²	77.7	3%	0.03	47%	0.47	C	S	.	.	H	α-helix	trans	-63.2	-32.1	-179.6	177.1	0	0	0	0	111.6	T127 I203 N206 F270 L274 M275 A276	T127-V278 HydrophobicContact CG2-CG2 3.85Å; I203-V278 HydrophobicContact CG1-CG1 4.29Å; N206-V278 HydrophobicContact CB-CB 4.45Å; N206-V278 HydrophobicContact CB-CG1 3.54Å; F270-V278 HydrophobicContact CZ-CG2 4.4Å; L274-V278 WeakPolarHBondContact O-CG2 3.37Å; L274-V278 PolarHBondContact O-N 3.15Å; L274-V278 VanDerWaalsContact O-N 3.12Å; M275-V278 PolarHBondContact O-N 3.21Å; A276-V278 PolarHBondContact O-N 2.95Å
279	S	64.4	Low	71.3	Confident	42 Å²	42	78.6 Å²	78.6	29%	0.294	46%	0.46	S	S	.	.	H	α-helix	trans	-75.3	-23.5	178.2	-52.9	0	0	0	0	113.3	M275 A276 K277 F281 T282	M275-S279 PolarHBondContact O-N 3.45Å; M275-S279 VanDerWaalsContact O-N 3.1Å; M275-S279 PolarHBondContact O-OG 3.4Å; A276-S279 WeakPolarHBondContact O-CB 2.89Å; A276-S279 PolarHBondContact O-N 3.44Å; A276-S279 VanDerWaalsContact O-N 3.09Å; K277-S279 PolarHBondContact O-N 2.78Å; S279-F281 VanDerWaalsContact C-N 3.31Å; S279-F281 PolarHBondContact O-N 3.27Å; S279-T282 PolarHBondContact O-N 3.21Å; S279-T282 PolarHBondContact O-OG1 3.16Å
280	L	68.6	Low	70.6	Confident	108 Å²	108	80.6 Å²	80.6	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-75.3	-17.2	179.1	-72.6	168.8	0	0	0	113.5	A276 K277 T282 T283	A276-L280 WeakPolarHBondContact O-CG 3.42Å; A276-L280 PolarHBondContact O-N 3.49Å; A276-L280 VanDerWaalsContact O-N 3.07Å; K277-L280 PolarHBondContact O-N 2.84Å; L280-T282 PolarHBondContact O-N 3.02Å; L280-T283 PolarHBondContact O-N 2.97Å; L280-T283 PolarHBondContact O-OG1 2.97Å
281	F	61.4	Low	69.8	Low	27 Å²	27	80.1 Å²	80.1	12%	0.118	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18	174.9	-62.8	-54.9	0	0	0	112.9	D129 I203 K277 S279 S285	D129-F281 HydrophobicContact CB-CD1 3.86Å; D129-F281 HydrophobicContact CB-CE1 3.8Å; I203-F281 HydrophobicContact CD1-CB 3.93Å; I203-F281 HydrophobicContact CD1-CD2 4.06Å; I203-F281 HydrophobicContact CD1-CG 4.24Å; I203-F281 HydrophobicContact CG1-CD2 4.28Å; K277-F281 HydrophobicContact CG-CE2 4.37Å; K277-F281 HydrophobicContact CG-CZ 4.35Å; S279-F281 VanDerWaalsContact C-N 3.31Å; S279-F281 PolarHBondContact O-N 3.27Å; F281-S285 PolarHBondContact O-OG 3.4Å
282	T	54.3	Low	68.7	Low	63 Å²	63	83.6 Å²	83.6	39%	0.387	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-13.1	-179.1	65.1	0	0	0	0	113.7	I203 M207 S279 L280	I203-T282 HydrophobicContact CG2-CG2 3.94Å; M207-T282 HydrophobicContact SD-CG2 4.29Å; S279-T282 PolarHBondContact O-N 3.21Å; S279-T282 PolarHBondContact O-OG1 3.16Å; L280-T282 PolarHBondContact O-N 3.02Å
283	T	47.3	Very low	67.4	Low	90 Å²	90	80.7 Å²	80.7	55%	0.552	45%	0.453	S	S	*	.	S	Bend	trans	-94.7	-6.1	-174.9	55.9	0	0	0	0	114.3	L280	L280-T283 PolarHBondContact O-N 2.97Å; L280-T283 PolarHBondContact O-OG1 2.97Å
284	H	44.4	Very low	66	Low	163 Å²	163	73.3 Å²	73.3	76%	0.755	42%	0.424	S	S	*	.			trans	-118.7	12.3	-178.9	-67.1	-57.7	0	0	0	113.8
285	S	39.2	Very low	64.5	Low	164 Å²	164	72.5 Å²	72.5	100%	1.147	42%	0.424	S	S	*	.			trans	-88	0	175	-50.5	0	0	0	0	112.2	F281	F281-S285 PolarHBondContact O-OG 3.4Å

Retrieved 285 of 285 residues in 128.5 ms (Link to these results)

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