A0A3Q0KRX6_SCHMA Loading...

Glycine cleavage system H protein

The H protein shuttles the methylamine group of glycine from the P protein to the T protein.

AlphaFold DB , UniProt , Accession A0A3Q0KRX6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 153 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	54.3	Low	59	Low	232 Å²	232	153.4 Å²	153.4	100%	1.143	82%	0.819	S	S	*	*				0	102.8	0	-79.3	177.3	167.5	0	0	106.5
2	Y	49.5	Very low	59.4	Low	219 Å²	219	153.3 Å²	153.3	86%	0.859	82%	0.815	S	S	*	*				50.7	121.2	86.3	-80.1	-73.4	0	0	0	109.8
3	V	57.8	Low	59.4	Low	119 Å²	119	150.2 Å²	150.2	72%	0.721	81%	0.814	S	S	*	*			cis	-163.9	126.1	35.3	-179.3	0	0	0	0	105.3
4	L	58.7	Low	58.9	Low	130 Å²	130	153.6 Å²	153.6	68%	0.681	82%	0.817	S	S	*	*				64	122.2	82.2	-92.5	174.6	0	0	0	115.6
5	L	60	Low	58.6	Low	159 Å²	159	151.7 Å²	151.7	83%	0.832	81%	0.814	S	S	*	*			trans	91.2	124.8	136.9	-58.3	165	0	0	0	121.6
6	G	62.5	Low	58.5	Low	71 Å²	71	150.9 Å²	150.9	73%	0.732	81%	0.807	S	S	*	*			trans	111.4	137	136.1	0	0	0	0	0	113.8
7	R	62	Low	58.2	Low	248 Å²	248	151.6 Å²	151.6	94%	0.936	81%	0.81	S	S	*	*			cis	-165	167.4	8.8	-101.7	-177.5	169.3	-174	-3.3	108.4
8	P	62.6	Low	57.9	Low	107 Å²	107	151.8 Å²	151.8	70%	0.695	81%	0.81	S	S	*	*			trans	-103.8	174.6	-167.6	41.7	-35.4	0	0	0	115
9	T	60.3	Low	58	Low	134 Å²	134	149.3 Å²	149.3	82%	0.822	81%	0.806	S	S	*	*			trans	63.7	130	153.2	54.2	0	0	0	0	121.7
10	S	64.7	Low	58.1	Low	103 Å²	103	152.7 Å²	152.7	72%	0.72	81%	0.807	S	S	*	*			trans	173.8	101.9	131.2	179.9	0	0	0	0	109.3
11	L	57	Low	58.1	Low	165 Å²	165	151.9 Å²	151.9	86%	0.864	81%	0.808	S	S	*	*				44.6	106.5	97.3	-68.9	179.6	0	0	0	115.3
12	I	63.4	Low	58.5	Low	152 Å²	152	149.9 Å²	149.9	78%	0.779	79%	0.793	S	S	*	*			trans	-135	101	154.4	-58.9	175.1	0	0	0	107.8
13	S	59.1	Low	59.1	Low	114 Å²	114	145 Å²	145	80%	0.797	79%	0.791	S	S	*	*			trans	-82.2	122.3	165.8	-156.8	0	0	0	0	107.8
14	K	52.5	Low	59	Low	198 Å²	198	145.7 Å²	145.7	86%	0.861	80%	0.796	S	S	*	*			trans	-100.3	100.8	173.3	-105.1	-175.9	176.1	-171	0	109.1
15	T	54.9	Low	59.1	Low	125 Å²	125	144.8 Å²	144.8	77%	0.767	80%	0.8	S	S	*	*			trans	-68.8	135.9	172	-54.7	0	0	0	0	110.7
16	I	57.2	Low	58.6	Low	138 Å²	138	142 Å²	142	71%	0.708	79%	0.793	S	S	*	*			trans	-59	128	173.7	-67.7	158.2	0	0	0	110.5	L18	I16-L18 HydrophobicContact CG2-CB 4.42Å; I16-L18 HydrophobicContact CG2-CD1 3.91Å; I16-L18 HydrophobicContact CG2-CG 4.05Å
17	L	53.6	Low	57.9	Low	164 Å²	164	147.5 Å²	147.5	86%	0.859	80%	0.797	S	S	*	*			trans	-113.9	93.1	162.2	-87.9	159.6	0	0	0	108	S19	L17-S19 PolarHBondContact O-N 3.26Å
18	L	52.6	Low	57.4	Low	154 Å²	154	141.3 Å²	141.3	81%	0.806	78%	0.782	S	S	*	*			trans	-83.2	87.8	162.6	-89.5	155	0	0	0	107.5	I16 R20	I16-L18 HydrophobicContact CG2-CB 4.42Å; I16-L18 HydrophobicContact CG2-CD1 3.91Å; I16-L18 HydrophobicContact CG2-CG 4.05Å; L18-R20 PolarHBondContact O-N 3.4Å
19	S	59.9	Low	57.2	Low	105 Å²	105	141.2 Å²	141.2	73%	0.734	78%	0.779	S	S	*	*			trans	-73.7	106.7	168.3	34.7	0	0	0	0	109.2	L17 T21	L17-S19 PolarHBondContact O-N 3.26Å; S19-T21 PolarHBondContact O-N 3.05Å
20	R	58.9	Low	57.9	Low	217 Å²	217	137.2 Å²	137.2	82%	0.819	76%	0.757	S	S	*	*			trans	-75.9	113.5	168.3	-74	177.4	144.8	-141	-4	109	L18	L18-R20 PolarHBondContact O-N 3.4Å
21	T	58.9	Low	59.1	Low	135 Å²	135	135.8 Å²	135.8	83%	0.828	74%	0.741	S	S	*	*			trans	-82.1	118	165.1	43.2	0	0	0	0	108.7	S19 S23	S19-T21 PolarHBondContact O-N 3.05Å; T21-S23 PolarHBondContact O-N 2.92Å
22	F	62.1	Low	61	Low	190 Å²	190	130.4 Å²	130.4	83%	0.833	72%	0.715	S	S	*	*			trans	-73.8	118.7	167.5	-81.9	-88.3	0	0	0	108.4
23	S	61.5	Low	62.7	Low	116 Å²	116	125.7 Å²	125.7	81%	0.811	69%	0.688	S	S	*	*			trans	-92	109.1	170.1	-179.5	0	0	0	0	108.2	T21 S25	T21-S23 PolarHBondContact O-N 2.92Å; S23-S25 PolarHBondContact O-N 3.44Å
24	T	57.4	Low	64.5	Low	135 Å²	135	121.5 Å²	121.5	83%	0.828	66%	0.655	S	S	*	*			trans	-76.7	104.6	167.5	33.9	0	0	0	0	108.6	C26	T24-C26 PolarHBondContact O-N 2.89Å; T24-C26 VanDerWaalsContact O-N 3.14Å
25	S	59.8	Low	66.7	Low	111 Å²	111	112.8 Å²	112.8	78%	0.776	62%	0.618	S	S	*	*			trans	-62.8	109.5	165.9	175.4	0	0	0	0	108.6	S23 K27	S23-S25 PolarHBondContact O-N 3.44Å; S25-K27 PolarHBondContact O-N 3.36Å
26	C	48.7	Very low	68.7	Low	101 Å²	101	113.4 Å²	113.4	68%	0.682	61%	0.612	S	S	*	*			trans	-71	113.3	170.6	-173.6	0	0	0	0	108	T24 L28	T24-C26 PolarHBondContact O-N 2.89Å; T24-C26 VanDerWaalsContact O-N 3.14Å; C26-L28 PolarHBondContact O-N 3.2Å; C26-L28 VanDerWaalsContact O-N 3.09Å
27	K	47.9	Very low	70.6	Confident	186 Å²	186	111.4 Å²	111.4	81%	0.809	60%	0.599	S	S	*	*			trans	-63.7	107.6	159.1	-81.3	179.3	176	-178.4	0	106.4	S25 T29	S25-K27 PolarHBondContact O-N 3.36Å; K27-T29 PolarHBondContact O-N 3.01Å
28	L	51.8	Low	72.7	Confident	117 Å²	117	105 Å²	105	61%	0.613	56%	0.564	S	S	*	*			trans	-66.4	86.3	168.2	-77.5	160.9	0	0	0	107.8	C26 S30	C26-L28 PolarHBondContact O-N 3.2Å; C26-L28 VanDerWaalsContact O-N 3.09Å; L28-S30 PolarHBondContact O-N 3.06Å; L28-S30 VanDerWaalsContact O-N 3.15Å
29	T	58.5	Low	74.9	Confident	106 Å²	106	98 Å²	98	65%	0.65	53%	0.527	S	S	*	.			trans	-69.9	104.4	165.7	-52.7	0	0	0	0	106.4	K27 N31	K27-T29 PolarHBondContact O-N 3.01Å; T29-N31 PolarHBondContact O-N 3.16Å
30	S	75.2	Confident	76.7	Confident	50 Å²	50	93.5 Å²	93.5	35%	0.35	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-66.6	120.7	170	57.6	0	0	0	0	108.5	L28 K42 V43	L28-S30 PolarHBondContact O-N 3.06Å; L28-S30 VanDerWaalsContact O-N 3.15Å; S30-K42 WeakPolarHBondContact OG-CE 3.19Å; S30-V43 WeakPolarHBondContact CA-O 3.31Å
31	N	90.5	Very high	78.6	Confident	72 Å²	72	83.2 Å²	83.2	39%	0.385	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	142.7	176.9	-66	-30.6	0	0	0	109.6	T29 Y33 K42 V43	T29-N31 PolarHBondContact O-N 3.16Å; N31-Y33 HydrophobicContact CB-CD2 4.32Å; N31-Y33 HydrophobicContact CB-CE2 3.42Å; N31-Y33 VanDerWaalsContact CB-CE2 3.42Å; N31-Y33 WeakPolarHBondContact CB-OH 3.21Å; N31-Y33 PolarHBondContact ND2-OH 3.2Å; N31-K42 WeakPolarHBondContact O-CA 3.47Å; N31-V43 PolarHBondContact N-O 3.12Å; N31-V43 PolarHBondContact O-N 3.1Å
32	V	96.8	Very high	80.4	Confident	53 Å²	53	80.6 Å²	80.6	32%	0.321	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134.8	173.5	-175.3	0	0	0	0	108.6	Y34 W40 I41 K42	V32-Y34 HydrophobicContact CG1-CE2 3.88Å; V32-W40 HydrophobicContact CG1-CB 4.33Å; V32-I41 WeakPolarHBondContact CA-O 3.42Å; V32-K42 HydrophobicContact CG2-CB 4.21Å; V32-K42 HydrophobicContact CG2-CD 4.47Å; V32-K42 HydrophobicContact CG2-CG 4.1Å
33	Y	98.2	Very high	82.1	Confident	53 Å²	53	72.5 Å²	72.5	21%	0.208	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.3	177.1	-56.2	-89.5	0	0	0	110.1	N31 W40 I41 V43 V136 L139 L140	N31-Y33 HydrophobicContact CB-CD2 4.32Å; N31-Y33 HydrophobicContact CB-CE2 3.42Å; N31-Y33 VanDerWaalsContact CB-CE2 3.42Å; N31-Y33 WeakPolarHBondContact CB-OH 3.21Å; N31-Y33 PolarHBondContact ND2-OH 3.2Å; Y33-W40 CarbonylContact O-C 3.55Å; Y33-W40 VanDerWaalsContact O-CA 3.25Å; Y33-W40 WeakPolarHBondContact O-CA 3.43Å; Y33-I41 PolarHBondContact N-O 3.39Å; Y33-I41 PolarHBondContact O-N 3.12Å; Y33-V43 HydrophobicContact CD2-CG2 4.15Å; Y33-V43 HydrophobicContact CE2-CG2 4.27Å; Y33-V136 HydrophobicContact CD1-CG1 4.14Å; Y33-V136 HydrophobicContact CD2-CG1 3.41Å; Y33-V136 VanDerWaalsContact CD2-CG1 3.41Å; Y33-V136 HydrophobicContact CE1-CG1 4Å; Y33-V136 HydrophobicContact CE2-CG1 3.22Å; Y33-V136 HydrophobicContact CG-CG1 3.86Å; Y33-L139 HydrophobicContact CD1-CB 4.44Å; Y33-L139 HydrophobicContact CG-CB 4.33Å; Y33-L140 CarbonylContact C-O 3.55Å; Y33-L140 VanDerWaalsContact CA-O 3.26Å; Y33-L140 WeakPolarHBondContact CA-O 3.39Å
34	Y	98.4	Very high	83.7	Confident	26 Å²	26	71.1 Å²	71.1	10%	0.102	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.8	-175.4	-61.6	-94.5	0	0	0	111.8	V32 E39 W40 L140 E142 Y145	V32-Y34 HydrophobicContact CG1-CE2 3.88Å; Y34-E39 CarbonylContact C-O 3.5Å; Y34-E39 VanDerWaalsContact CA-O 3.28Å; Y34-E39 WeakPolarHBondContact CA-O 3.2Å; Y34-W40 HydrophobicContact CD1-CB 3.8Å; Y34-W40 HydrophobicContact CE1-CB 3.73Å; Y34-L140 PolarHBondContact N-O 3.14Å; Y34-L140 WeakPolarHBondContact O-CB 3.26Å; Y34-L140 PolarHBondContact O-N 2.91Å; Y34-E142 HydrophobicContact CE2-CB 4.01Å; Y34-E142 HydrophobicContact CE2-CG 4.26Å; Y34-Y145 AromaticContact CD1-CD1 3.63Å; Y34-Y145 HydrophobicContact CD1-CD1 3.63Å; Y34-Y145 HydrophobicContact CD1-CD2 4.26Å; Y34-Y145 AromaticContact CD1-CE1 3.73Å; Y34-Y145 HydrophobicContact CD1-CE1 3.73Å; Y34-Y145 HydrophobicContact CD1-CE2 4.35Å; Y34-Y145 AromaticContact CD1-CG 3.91Å; Y34-Y145 HydrophobicContact CD1-CG 3.91Å; Y34-Y145 HydrophobicContact CD2-CD1 4.19Å; Y34-Y145 HydrophobicContact CD2-CG 4.06Å; Y34-Y145 AromaticContact CE1-CD1 3.96Å; Y34-Y145 HydrophobicContact CE1-CD1 3.96Å; Y34-Y145 HydrophobicContact CE1-CE1 4.02Å; Y34-Y145 AromaticContact CG-CD1 3.76Å; Y34-Y145 HydrophobicContact CG-CD1 3.76Å; Y34-Y145 AromaticContact CG-CD2 3.99Å; Y34-Y145 HydrophobicContact CG-CD2 3.99Å; Y34-Y145 HydrophobicContact CG-CE1 4.28Å; Y34-Y145 HydrophobicContact CG-CE2 4.49Å; Y34-Y145 AromaticContact CG-CG 3.58Å; Y34-Y145 HydrophobicContact CG-CG 3.58Å
35	T	98.2	Very high	85.5	Confident	15 Å²	15	66.6 Å²	66.6	9%	0.092	36%	0.362	C	S	.	.			trans	-98.9	164.6	169.2	71.8	0	0	0	0	110.4	K37 H38 E39 P96 L139	T35-K37 PolarHBondContact O-N 2.76Å; T35-K37 PolarHBondContact OG1-N 3.38Å; T35-H38 PolarHBondContact O-N 2.85Å; T35-H38 PolarHBondContact OG1-N 3.24Å; T35-E39 VanDerWaalsContact CB-OE2 3.23Å; T35-E39 WeakPolarHBondContact CB-OE2 3.38Å; T35-E39 HydrophobicContact CG2-CB 4.09Å; T35-E39 VanDerWaalsContact CG2-OE2 3.26Å; T35-E39 WeakPolarHBondContact CG2-OE2 3.45Å; T35-E39 PolarHBondContact N-O 3.41Å; T35-E39 PolarHBondContact OG1-N 3.04Å; T35-E39 PolarHBondContact OG1-OE2 2.88Å; T35-P96 HydrophobicContact CG2-CB 3.72Å; T35-P96 HydrophobicContact CG2-CG 3.9Å; T35-L139 HydrophobicContact CG2-CD2 4.07Å
36	Q	96.6	Very high	87.1	Confident	138 Å²	138	64.6 Å²	64.6	65%	0.645	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-15.6	170.1	-67.3	175.3	41.8	0	0	112.6	L140 F148	Q36-L140 HydrophobicContact CG-CD1 4.1Å; Q36-F148 HydrophobicContact CB-CE1 4.46Å; Q36-F148 HydrophobicContact CB-CZ 4.17Å; Q36-F148 HydrophobicContact CG-CE2 4.49Å; Q36-F148 HydrophobicContact CG-CZ 4.47Å
37	K	96.9	Very high	89.5	Confident	96 Å²	96	61.5 Å²	61.5	42%	0.417	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	12.2	174.1	-62.1	-172.4	179.8	-175	0	112.8	T35 E39 Y94	T35-K37 PolarHBondContact O-N 2.76Å; T35-K37 PolarHBondContact OG1-N 3.38Å; K37-E39 VanDerWaalsContact C-N 3.33Å; K37-E39 WeakPolarHBondContact CB-OE1 3.4Å; K37-E39 PolarHBondContact O-N 3.44Å; K37-Y94 HydrophobicContact CD-CD2 3.29Å; K37-Y94 HydrophobicContact CD-CE2 3.71Å; K37-Y94 HydrophobicContact CD-CG 3.91Å; K37-Y94 VanDerWaalsContact NZ-CE1 3.33Å; K37-Y94 VanDerWaalsContact NZ-CG 3.26Å
38	H	97.6	Very high	91.9	Very high	30 Å²	30	52.6 Å²	52.6	14%	0.139	28%	0.282	C	S	.	.	S	Bend	trans	64.1	31.8	177.2	-42.3	-69.5	0	0	0	114.5	T35 S53 Y55 A56 Y145 F148 E152	T35-H38 PolarHBondContact O-N 2.85Å; T35-H38 PolarHBondContact OG1-N 3.24Å; H38-S53 VanDerWaalsContact O-CB 3.29Å; H38-S53 WeakPolarHBondContact O-CB 3.36Å; H38-S53 PolarHBondContact O-N 3.07Å; H38-S53 PolarHBondContact O-OG 3.45Å; H38-Y55 HydrophobicContact CB-CD1 4.42Å; H38-Y55 AromaticContact CD2-CD1 3.92Å; H38-Y55 AromaticContact CD2-CE1 3.94Å; H38-Y55 AromaticContact CE1-CD1 3.5Å; H38-Y55 VanDerWaalsContact CE1-CD1 3.5Å; H38-Y55 WeakPolarHBondContact CE1-CD1 3.4Å; H38-Y55 AromaticContact CE1-CE1 3.27Å; H38-Y55 WeakPolarHBondContact CE1-CE1 3.27Å; H38-Y55 AromaticContact CG-CD1 3.69Å; H38-Y55 AromaticContact ND1-CD1 3.42Å; H38-Y55 WeakPolarHBondContact ND1-CD1 3.5Å; H38-Y55 AromaticContact ND1-CE1 3.72Å; H38-Y55 AromaticContact NE2-CD1 3.81Å; H38-Y55 AromaticContact NE2-CE1 3.4Å; H38-Y55 WeakPolarHBondContact NE2-CE1 3.5Å; H38-A56 HydrophobicContact CB-CB 3.85Å; H38-Y145 VanDerWaalsContact CB-OH 3.3Å; H38-Y145 WeakPolarHBondContact CB-OH 3.48Å; H38-Y145 AromaticContact ND1-CE2 3.65Å; H38-Y145 AromaticContact ND1-CZ 3.77Å; H38-Y145 PolarHBondContact ND1-OH 3.39Å; H38-Y145 VanDerWaalsContact ND1-OH 3.08Å; H38-F148 AromaticContact CE1-CE1 3.57Å; H38-E152 IonicContact CE1-OE2 2.91Å; H38-E152 PolarHBondContact CE1-OE2 3.41Å; H38-E152 IonicContact NE2-OE2 2.77Å; H38-E152 PolarHBondContact NE2-OE2 3.44Å
39	E	98.4	Very high	94.1	Very high	6 Å²	6	48.4 Å²	48.4	3%	0.028	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	154.1	161.1	-55	105.3	-176.3	0	0	110.2	Y34 T35 K37 G51 V93 Y94 P96	Y34-E39 CarbonylContact C-O 3.5Å; Y34-E39 VanDerWaalsContact CA-O 3.28Å; Y34-E39 WeakPolarHBondContact CA-O 3.2Å; T35-E39 VanDerWaalsContact CB-OE2 3.23Å; T35-E39 WeakPolarHBondContact CB-OE2 3.38Å; T35-E39 HydrophobicContact CG2-CB 4.09Å; T35-E39 VanDerWaalsContact CG2-OE2 3.26Å; T35-E39 WeakPolarHBondContact CG2-OE2 3.45Å; T35-E39 PolarHBondContact N-O 3.41Å; T35-E39 PolarHBondContact OG1-N 3.04Å; T35-E39 PolarHBondContact OG1-OE2 2.88Å; K37-E39 VanDerWaalsContact C-N 3.33Å; K37-E39 WeakPolarHBondContact CB-OE1 3.4Å; K37-E39 PolarHBondContact O-N 3.44Å; E39-G51 WeakPolarHBondContact CA-O 3.38Å; E39-V93 HydrophobicContact CG-CG1 4Å; E39-Y94 PolarHBondContact OE1-N 2.86Å; E39-P96 HydrophobicContact CB-CG 4.32Å
40	W	98.4	Very high	96	Very high	10 Å²	10	43.3 Å²	43.3	4%	0.038	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	152.7	168.7	63.2	-95.8	0	0	0	111.3	V32 Y33 Y34 K42 T49 V50 G51 I52 P119 W124	V32-W40 HydrophobicContact CG1-CB 4.33Å; Y33-W40 CarbonylContact O-C 3.55Å; Y33-W40 VanDerWaalsContact O-CA 3.25Å; Y33-W40 WeakPolarHBondContact O-CA 3.43Å; Y34-W40 HydrophobicContact CD1-CB 3.8Å; Y34-W40 HydrophobicContact CE1-CB 3.73Å; W40-K42 HydrophobicContact CE3-CB 4.24Å; W40-K42 HydrophobicContact CZ3-CB 3.85Å; W40-T49 HydrophobicContact CH2-CG2 3.87Å; W40-T49 HydrophobicContact CZ3-CG2 4.05Å; W40-T49 WeakPolarHBondContact CZ3-O 3.37Å; W40-V50 VanDerWaalsContact O-CA 3.31Å; W40-V50 WeakPolarHBondContact O-CA 3.37Å; W40-G51 PolarHBondContact N-O 3.25Å; W40-G51 PolarHBondContact O-N 3.03Å; W40-I52 PolarHBondContact NE1-O 2.9Å; W40-P119 PolarHBondContact NE1-O 2.81Å; W40-W124 HydrophobicContact CH2-CB 3.76Å; W40-W124 HydrophobicContact CZ2-CB 3.98Å
41	I	98.5	Very high	97.1	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.1	169.7	-173.1	174.5	0	0	0	110.6	V32 Y33 V43 T49 V50 P96 V97 L128 L139	V32-I41 WeakPolarHBondContact CA-O 3.42Å; Y33-I41 PolarHBondContact N-O 3.39Å; Y33-I41 PolarHBondContact O-N 3.12Å; I41-V43 HydrophobicContact CD1-CG2 4.11Å; I41-V43 HydrophobicContact CG1-CG2 3.99Å; I41-V43 HydrophobicContact CG2-CG2 4.46Å; I41-T49 CarbonylContact C-O 3.57Å; I41-T49 VanDerWaalsContact CA-O 3.25Å; I41-T49 WeakPolarHBondContact CA-O 3.33Å; I41-V50 HydrophobicContact CB-CG2 4.18Å; I41-V50 HydrophobicContact CD1-CG2 4.12Å; I41-V50 HydrophobicContact CG1-CG2 3.91Å; I41-P96 HydrophobicContact CB-CB 4.4Å; I41-P96 HydrophobicContact CB-CG 4.31Å; I41-P96 HydrophobicContact CG2-CB 4.25Å; I41-V97 HydrophobicContact CD1-CG1 4.44Å; I41-V97 HydrophobicContact CD1-CG2 3.63Å; I41-L128 HydrophobicContact CD1-CD2 4.4Å; I41-L139 HydrophobicContact CG2-CD1 3.38Å
42	K	97.9	Very high	97.5	Very high	81 Å²	81	37.8 Å²	37.8	35%	0.352	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.2	170.1	-175.4	175.8	-178.1	175	0	109	S30 N31 V32 W40 G48 T49	S30-K42 WeakPolarHBondContact OG-CE 3.19Å; N31-K42 WeakPolarHBondContact O-CA 3.47Å; V32-K42 HydrophobicContact CG2-CB 4.21Å; V32-K42 HydrophobicContact CG2-CD 4.47Å; V32-K42 HydrophobicContact CG2-CG 4.1Å; W40-K42 HydrophobicContact CE3-CB 4.24Å; W40-K42 HydrophobicContact CZ3-CB 3.85Å; K42-G48 WeakPolarHBondContact O-CA 3.03Å; K42-T49 PolarHBondContact N-O 2.87Å; K42-T49 PolarHBondContact O-N 2.86Å
43	V	97.1	Very high	97.5	Very high	19 Å²	19	35.3 Å²	35.3	12%	0.115	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.3	-175.4	-176.3	0	0	0	0	110.3	S30 N31 Y33 I41 V136	S30-V43 WeakPolarHBondContact CA-O 3.31Å; N31-V43 PolarHBondContact N-O 3.12Å; N31-V43 PolarHBondContact O-N 3.1Å; Y33-V43 HydrophobicContact CD2-CG2 4.15Å; Y33-V43 HydrophobicContact CE2-CG2 4.27Å; I41-V43 HydrophobicContact CD1-CG2 4.11Å; I41-V43 HydrophobicContact CG1-CG2 3.99Å; I41-V43 HydrophobicContact CG2-CG2 4.46Å; V43-V136 HydrophobicContact CG2-CG1 4.23Å; V43-V136 HydrophobicContact CG2-CG2 4.09Å
44	N	95.4	Very high	97.5	Very high	87 Å²	87	38.7 Å²	38.7	47%	0.465	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	100.3	172.7	-174.7	1.1	0	0	0	109.2	D46 V47	N44-D46 PolarHBondContact O-N 2.84Å; N44-V47 PolarHBondContact N-O 3.48Å; N44-V47 PolarHBondContact O-N 2.69Å
45	G	93.9	Very high	97.4	Very high	40 Å²	40	40 Å²	40	41%	0.412	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-123.5	-172.5	0	0	0	0	0	111.5	L133	G45-L133 WeakPolarHBondContact O-CD2 3.38Å
46	D	95.4	Very high	97.3	Very high	70 Å²	70	40 Å²	40	37%	0.374	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.3	176.4	68.8	-37.1	0	0	0	113.7	N44 R129 L130	N44-D46 PolarHBondContact O-N 2.84Å; D46-R129 CarbonylContact O-C 3.5Å; D46-R129 WeakPolarHBondContact O-CA 3.24Å; D46-R129 WeakPolarHBondContact OD2-CD 3.45Å; D46-R129 IonicContact OD2-CZ 3.94Å; D46-R129 IonicContact OD2-NE 2.96Å; D46-R129 PolarHBondContact OD2-NE 3.18Å; D46-L130 WeakPolarHBondContact O-CD1 3.32Å; D46-L130 PolarHBondContact O-N 3.14Å
47	V	97.7	Very high	97.3	Very high	35 Å²	35	34.6 Å²	34.6	21%	0.212	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	126.5	-178.3	178.4	0	0	0	0	110.7	N44 I102 K127 L128	N44-V47 PolarHBondContact N-O 3.48Å; N44-V47 PolarHBondContact O-N 2.69Å; V47-I102 HydrophobicContact CG1-CD1 3.84Å; V47-I102 HydrophobicContact CG2-CD1 3.93Å; V47-K127 HydrophobicContact CG1-CB 4.35Å; V47-L128 WeakPolarHBondContact CA-O 3.34Å
48	G	97.9	Very high	97.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133.6	170.5	0	0	0	0	0	110.6	K42 K127 L128 L130	K42-G48 WeakPolarHBondContact O-CA 3.03Å; G48-K127 CarbonylContact O-C 3.52Å; G48-K127 WeakPolarHBondContact O-CA 3.38Å; G48-L128 PolarHBondContact N-O 3.14Å; G48-L128 PolarHBondContact O-N 2.82Å; G48-L130 VanDerWaalsContact N-CD1 3.27Å
49	T	98.5	Very high	97.1	Very high	28 Å²	28	38.8 Å²	38.8	17%	0.172	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.8	166.6	-53.8	0	0	0	0	108.1	W40 I41 K42 W124 K127	W40-T49 HydrophobicContact CH2-CG2 3.87Å; W40-T49 HydrophobicContact CZ3-CG2 4.05Å; W40-T49 WeakPolarHBondContact CZ3-O 3.37Å; I41-T49 CarbonylContact C-O 3.57Å; I41-T49 VanDerWaalsContact CA-O 3.25Å; I41-T49 WeakPolarHBondContact CA-O 3.33Å; K42-T49 PolarHBondContact N-O 2.87Å; K42-T49 PolarHBondContact O-N 2.86Å; T49-W124 HydrophobicContact CG2-CB 3.57Å; T49-W124 HydrophobicContact CG2-CD2 4.08Å; T49-W124 HydrophobicContact CG2-CE3 4.13Å; T49-W124 HydrophobicContact CG2-CG 3.87Å; T49-K127 HydrophobicContact CG2-CG 4.13Å
50	V	98.6	Very high	97	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.6	-172.5	179.7	0	0	0	0	111	W40 I41 P96 L125 F126 L128	W40-V50 VanDerWaalsContact O-CA 3.31Å; W40-V50 WeakPolarHBondContact O-CA 3.37Å; I41-V50 HydrophobicContact CB-CG2 4.18Å; I41-V50 HydrophobicContact CD1-CG2 4.12Å; I41-V50 HydrophobicContact CG1-CG2 3.91Å; V50-P96 HydrophobicContact CG1-CG 4.05Å; V50-P96 HydrophobicContact CG2-CG 4.25Å; V50-L125 PolarHBondContact O-N 3.31Å; V50-F126 HydrophobicContact CB-CD2 4.14Å; V50-F126 HydrophobicContact CB-CE1 4.19Å; V50-F126 HydrophobicContact CB-CE2 3.71Å; V50-F126 HydrophobicContact CB-CZ 3.72Å; V50-F126 HydrophobicContact CG1-CE1 3.97Å; V50-F126 HydrophobicContact CG1-CE2 4.07Å; V50-F126 HydrophobicContact CG1-CZ 3.57Å; V50-F126 HydrophobicContact CG2-CD2 4.38Å; V50-F126 HydrophobicContact CG2-CE2 3.79Å; V50-F126 HydrophobicContact CG2-CZ 4.15Å; V50-F126 PolarHBondContact N-O 3.22Å; V50-F126 PolarHBondContact O-N 2.96Å; V50-L128 HydrophobicContact CG2-CD2 3.47Å; V50-L128 VanDerWaalsContact CG2-CD2 3.47Å
51	G	98.5	Very high	96.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	-178	171.7	0	0	0	0	0	112.3	E39 W40	E39-G51 WeakPolarHBondContact CA-O 3.38Å; W40-G51 PolarHBondContact N-O 3.25Å; W40-G51 PolarHBondContact O-N 3.03Å
52	I	98.2	Very high	96.8	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	145.2	173.4	64.8	170.1	0	0	0	110.6	W40 A56 E57 L60 I63 V84 V93 I115 L125	W40-I52 PolarHBondContact NE1-O 2.9Å; I52-A56 HydrophobicContact CB-CB 4.05Å; I52-E57 HydrophobicContact CD1-CB 4.1Å; I52-L60 HydrophobicContact CD1-CD1 4.26Å; I52-I63 HydrophobicContact CD1-CD1 3.94Å; I52-V84 HydrophobicContact CD1-CG1 4.33Å; I52-V84 HydrophobicContact CG2-CG2 4.33Å; I52-V93 HydrophobicContact CG2-CG2 3.91Å; I52-I115 HydrophobicContact CD1-CG2 3.71Å; I52-I115 HydrophobicContact CG1-CG2 3.87Å; I52-L125 HydrophobicContact CG2-CD1 4.24Å
53	S	97.8	Very high	96.8	Very high	1 Å²	1	41 Å²	41	1%	0.007	22%	0.223	C	C	.	.			trans	-69.8	163.5	178.9	87.1	0	0	0	0	111.5	H38 Y55 A56 E57 Y145	H38-S53 VanDerWaalsContact O-CB 3.29Å; H38-S53 WeakPolarHBondContact O-CB 3.36Å; H38-S53 PolarHBondContact O-N 3.07Å; H38-S53 PolarHBondContact O-OG 3.45Å; S53-Y55 PolarHBondContact O-N 3.34Å; S53-Y55 PolarHBondContact OG-N 2.82Å; S53-Y55 VanDerWaalsContact OG-N 3.17Å; S53-A56 WeakPolarHBondContact O-CB 3.29Å; S53-A56 PolarHBondContact O-N 3.36Å; S53-A56 VanDerWaalsContact O-N 3.16Å; S53-A56 PolarHBondContact OG-N 2.98Å; S53-E57 PolarHBondContact O-N 3.33Å; S53-Y145 VanDerWaalsContact CB-OH 3.32Å; S53-Y145 WeakPolarHBondContact CB-OH 3.32Å; S53-Y145 PolarHBondContact OG-OH 3.24Å
54	K	97	Very high	96.8	Very high	125 Å²	125	43.5 Å²	43.5	54%	0.543	24%	0.239	S	C	.	.	H	α-helix	trans	-57.6	-35	171.3	-175.9	174.5	-179.4	177.3	0	112.5	Q58 P119	K54-Q58 HydrophobicContact CG-CG 4.46Å; K54-Q58 WeakPolarHBondContact O-CB 3.46Å; K54-Q58 WeakPolarHBondContact O-CG 3.29Å; K54-Q58 PolarHBondContact O-N 3.26Å; K54-P119 HydrophobicContact CB-CG 4.04Å; K54-P119 HydrophobicContact CG-CG 4.3Å
55	Y	96.7	Very high	96.9	Very high	54 Å²	54	44.7 Å²	44.7	21%	0.212	24%	0.238	C	C	.	.	H	α-helix	trans	-66.1	-43.2	176.5	176.8	-97.9	0	0	0	111.6	H38 S53 Q58 N59 L149	H38-Y55 HydrophobicContact CB-CD1 4.42Å; H38-Y55 AromaticContact CD2-CD1 3.92Å; H38-Y55 AromaticContact CD2-CE1 3.94Å; H38-Y55 AromaticContact CE1-CD1 3.5Å; H38-Y55 VanDerWaalsContact CE1-CD1 3.5Å; H38-Y55 WeakPolarHBondContact CE1-CD1 3.4Å; H38-Y55 AromaticContact CE1-CE1 3.27Å; H38-Y55 WeakPolarHBondContact CE1-CE1 3.27Å; H38-Y55 AromaticContact CG-CD1 3.69Å; H38-Y55 AromaticContact ND1-CD1 3.42Å; H38-Y55 WeakPolarHBondContact ND1-CD1 3.5Å; H38-Y55 AromaticContact ND1-CE1 3.72Å; H38-Y55 AromaticContact NE2-CD1 3.81Å; H38-Y55 AromaticContact NE2-CE1 3.4Å; H38-Y55 WeakPolarHBondContact NE2-CE1 3.5Å; S53-Y55 PolarHBondContact O-N 3.34Å; S53-Y55 PolarHBondContact OG-N 2.82Å; S53-Y55 VanDerWaalsContact OG-N 3.17Å; Y55-Q58 PolarHBondContact O-N 2.84Å; Y55-N59 WeakPolarHBondContact CE1-ND2 3.37Å; Y55-N59 WeakPolarHBondContact O-CB 3.44Å; Y55-N59 VanDerWaalsContact O-CG 3.32Å; Y55-N59 PolarHBondContact O-N 3.17Å; Y55-L149 HydrophobicContact CD1-CD2 3.64Å; Y55-L149 HydrophobicContact CD2-CD1 4.44Å; Y55-L149 HydrophobicContact CD2-CD2 3.85Å; Y55-L149 HydrophobicContact CE1-CD2 3.9Å; Y55-L149 HydrophobicContact CE2-CD2 4.13Å; Y55-L149 HydrophobicContact CG-CD1 4.38Å; Y55-L149 HydrophobicContact CG-CD2 3.59Å
56	A	96.5	Very high	97.1	Very high	13 Å²	13	43 Å²	43	11%	0.107	22%	0.219	C	C	.	.	H	α-helix	trans	-62.4	-47.1	176	0	0	0	0	0	112	H38 I52 S53 Q58 N59 L60	H38-A56 HydrophobicContact CB-CB 3.85Å; I52-A56 HydrophobicContact CB-CB 4.05Å; S53-A56 WeakPolarHBondContact O-CB 3.29Å; S53-A56 PolarHBondContact O-N 3.36Å; S53-A56 VanDerWaalsContact O-N 3.16Å; S53-A56 PolarHBondContact OG-N 2.98Å; A56-Q58 VanDerWaalsContact C-N 3.35Å; A56-Q58 PolarHBondContact O-N 2.99Å; A56-N59 PolarHBondContact O-N 3.3Å; A56-L60 WeakPolarHBondContact O-CG 3.42Å; A56-L60 PolarHBondContact O-N 3.32Å
57	E	96.8	Very high	97.3	Very high	25 Å²	25	44.4 Å²	44.4	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-56.3	-48.1	176.2	-178.7	-79.4	147.4	0	0	111.5	I52 S53 N59 L60 G61 I63 N116 P119	I52-E57 HydrophobicContact CD1-CB 4.1Å; S53-E57 PolarHBondContact O-N 3.33Å; E57-N59 VanDerWaalsContact C-N 3.32Å; E57-N59 PolarHBondContact O-N 2.71Å; E57-L60 PolarHBondContact O-N 3.12Å; E57-G61 PolarHBondContact O-N 3.08Å; E57-I63 HydrophobicContact CG-CD1 4.28Å; E57-N116 WeakPolarHBondContact OE1-CA 3.34Å; E57-N116 PolarHBondContact OE1-ND2 2.9Å; E57-P119 HydrophobicContact CB-CB 4.11Å; E57-P119 HydrophobicContact CB-CG 4.39Å; E57-P119 HydrophobicContact CG-CB 4.34Å; E57-P119 HydrophobicContact CG-CG 4.45Å
58	Q	95.6	Very high	97.3	Very high	115 Å²	115	43.7 Å²	43.7	54%	0.537	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-37	179	-74.2	177	-21.9	0	0	113.1	K54 Y55 A56	K54-Q58 HydrophobicContact CG-CG 4.46Å; K54-Q58 WeakPolarHBondContact O-CB 3.46Å; K54-Q58 WeakPolarHBondContact O-CG 3.29Å; K54-Q58 PolarHBondContact O-N 3.26Å; Y55-Q58 PolarHBondContact O-N 2.84Å; A56-Q58 VanDerWaalsContact C-N 3.35Å; A56-Q58 PolarHBondContact O-N 2.99Å
59	N	95.2	Very high	97.3	Very high	100 Å²	100	44.3 Å²	44.3	54%	0.535	22%	0.223	S	C	.	.	H	α-helix	trans	-71.2	-33.2	178.2	-76.2	-11.8	0	0	0	112.8	Y55 A56 E57	Y55-N59 WeakPolarHBondContact CE1-ND2 3.37Å; Y55-N59 WeakPolarHBondContact O-CB 3.44Å; Y55-N59 VanDerWaalsContact O-CG 3.32Å; Y55-N59 PolarHBondContact O-N 3.17Å; A56-N59 PolarHBondContact O-N 3.3Å; E57-N59 VanDerWaalsContact C-N 3.32Å; E57-N59 PolarHBondContact O-N 2.71Å
60	L	95.5	Very high	97.3	Very high	15 Å²	15	45.6 Å²	45.6	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-75.5	-40.6	174.5	-68.3	171	0	0	0	111.7	I52 A56 E57 V84 S86 A89	I52-L60 HydrophobicContact CD1-CD1 4.26Å; A56-L60 WeakPolarHBondContact O-CG 3.42Å; A56-L60 PolarHBondContact O-N 3.32Å; E57-L60 PolarHBondContact O-N 3.12Å; L60-V84 HydrophobicContact CD1-CB 4.46Å; L60-V84 HydrophobicContact CD1-CG1 3.98Å; L60-S86 WeakPolarHBondContact O-CB 3.39Å; L60-S86 PolarHBondContact O-OG 3.42Å; L60-A89 HydrophobicContact CD2-CB 3.98Å
61	G	95.7	Very high	97.3	Very high	19 Å²	19	49.9 Å²	49.9	20%	0.196	26%	0.262	C	S	.	.			trans	80.5	-143.5	-171.6	0	0	0	0	0	111.7	E57 I63 N116	E57-G61 PolarHBondContact O-N 3.08Å; G61-I63 PolarHBondContact O-N 3.4Å; G61-I63 VanDerWaalsContact O-N 3.14Å; G61-N116 PolarHBondContact O-ND2 2.82Å
62	D	96.8	Very high	97.3	Very high	108 Å²	108	52.1 Å²	52.1	58%	0.578	29%	0.285	S	S	*	.	S	Bend	trans	-65.1	114.1	-173.8	-166.5	38.3	0	0	0	111.5	S86 V87	D62-S86 WeakPolarHBondContact O-CA 3.15Å; D62-S86 WeakPolarHBondContact O-CB 3.48Å; D62-V87 PolarHBondContact O-N 3.17Å
63	I	97.7	Very high	97.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	125.6	-176.8	-63.4	166.5	0	0	0	107.9	I52 E57 G61 V84 E85 T112 I115 N116	I52-I63 HydrophobicContact CD1-CD1 3.94Å; E57-I63 HydrophobicContact CG-CD1 4.28Å; G61-I63 PolarHBondContact O-N 3.4Å; G61-I63 VanDerWaalsContact O-N 3.14Å; I63-V84 HydrophobicContact CB-CG1 4.43Å; I63-V84 HydrophobicContact CD1-CG1 3.79Å; I63-V84 HydrophobicContact CG1-CG1 3.91Å; I63-V84 HydrophobicContact CG2-CG1 3.61Å; I63-E85 CarbonylContact C-O 3.55Å; I63-E85 WeakPolarHBondContact CG2-O 3.33Å; I63-T112 HydrophobicContact CG2-CG2 4.21Å; I63-T112 VanDerWaalsContact O-CB 3.24Å; I63-T112 WeakPolarHBondContact O-CB 3.26Å; I63-T112 PolarHBondContact O-OG1 2.92Å; I63-I115 HydrophobicContact CD1-CB 3.79Å; I63-I115 HydrophobicContact CD1-CG2 3.36Å; I63-I115 HydrophobicContact CG2-CD1 4.36Å; I63-N116 WeakPolarHBondContact CB-OD1 3.29Å; I63-N116 PolarHBondContact N-OD1 3.17Å; I63-N116 VanDerWaalsContact N-OD1 3.1Å
64	V	97.5	Very high	97.3	Very high	72 Å²	72	63.7 Å²	63.7	44%	0.436	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-19.2	-174.4	-62.2	0	0	0	0	113	E85 V87	V64-E85 HydrophobicContact CG2-CG 4.26Å; V64-E85 PolarHBondContact N-O 3.25Å; V64-V87 HydrophobicContact CG1-CG2 3.56Å
65	Y	97.9	Very high	97.4	Very high	112 Å²	112	58.2 Å²	58.2	44%	0.439	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	148.5	178.9	177.7	-103.4	0	0	0	111.5	E67 E85	Y65-E67 HydrophobicContact CE1-CB 3.98Å; Y65-E85 HydrophobicContact CD1-CB 4.33Å; Y65-E85 PolarHBondContact N-O 3.19Å; Y65-E85 VanDerWaalsContact N-O 3.14Å; Y65-E85 PolarHBondContact O-N 3.32Å
66	V	98	Very high	97.5	Very high	5 Å²	5	60.2 Å²	60.2	3%	0.03	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.8	174.5	62.1	0	0	0	0	109	L68 V83 V84 V108 E109 T112 I115 L125	V66-L68 HydrophobicContact CG2-CD2 3.73Å; V66-L68 HydrophobicContact CG2-CG 4.32Å; V66-V83 CarbonylContact C-O 3.22Å; V66-V83 WeakPolarHBondContact CA-O 3.07Å; V66-V84 HydrophobicContact CG2-CG2 4.26Å; V66-V108 HydrophobicContact CG1-CB 4.38Å; V66-V108 HydrophobicContact CG1-CG2 4.02Å; V66-V108 WeakPolarHBondContact CG1-O 3.31Å; V66-E109 HydrophobicContact CG1-CG 4.1Å; V66-T112 HydrophobicContact CG1-CG2 4.19Å; V66-I115 HydrophobicContact CB-CD1 4.27Å; V66-I115 HydrophobicContact CG2-CD1 4.27Å; V66-L125 HydrophobicContact CG2-CD2 3.92Å
67	E	98	Very high	97.5	Very high	100 Å²	100	62.1 Å²	62.1	47%	0.467	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.7	171.4	-171.9	174.5	133.6	0	0	108.4	Y65 A82 V83	Y65-E67 HydrophobicContact CE1-CB 3.98Å; E67-A82 CarbonylContact O-C 3.6Å; E67-A82 WeakPolarHBondContact O-CA 3.3Å; E67-A82 WeakPolarHBondContact O-CB 3.31Å; E67-V83 HydrophobicContact CB-CB 4.03Å; E67-V83 PolarHBondContact N-O 3.16Å; E67-V83 PolarHBondContact O-N 2.98Å
68	L	98.4	Very high	97.6	Very high	19 Å²	19	66 Å²	66	10%	0.099	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-97.7	152.8	179.9	-61.2	-176.9	0	0	0	111	V66 V104 N105 V108 E109 L125	V66-L68 HydrophobicContact CG2-CD2 3.73Å; V66-L68 HydrophobicContact CG2-CG 4.32Å; L68-V104 HydrophobicContact CB-CB 4.38Å; L68-V104 HydrophobicContact CB-CG1 4.4Å; L68-V104 HydrophobicContact CD1-CB 3.98Å; L68-N105 WeakPolarHBondContact CD1-O 3.25Å; L68-V108 HydrophobicContact CD1-CG2 4.1Å; L68-V108 HydrophobicContact CD2-CG2 4.34Å; L68-E109 HydrophobicContact CD1-CG 3.63Å; L68-E109 HydrophobicContact CG-CG 3.96Å; L68-L125 HydrophobicContact CD2-CB 3.9Å; L68-L125 HydrophobicContact CD2-CD2 4.09Å
69	P	98.2	Very high	97.7	Very high	14 Å²	14	63.4 Å²	63.4	9%	0.091	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-66.8	168.8	174.1	28	-34.1	0	0	0	111.4	C81 I101 V104 F126	P69-C81 VanDerWaalsContact CB-O 3.27Å; P69-C81 WeakPolarHBondContact CB-O 3.15Å; P69-C81 VanDerWaalsContact CD-O 3.29Å; P69-C81 WeakPolarHBondContact CD-O 3.4Å; P69-I101 HydrophobicContact CB-CD1 4.43Å; P69-I101 HydrophobicContact CB-CG1 4.03Å; P69-I101 HydrophobicContact CG-CD1 4.05Å; P69-I101 HydrophobicContact CG-CG1 4.05Å; P69-I101 HydrophobicContact CG-CG2 4.07Å; P69-V104 HydrophobicContact CG-CG1 4.28Å; P69-V104 WeakPolarHBondContact O-CG1 3.38Å; P69-F126 HydrophobicContact CG-CB 3.97Å; P69-F126 HydrophobicContact CG-CD1 3.97Å; P69-F126 HydrophobicContact CG-CG 3.96Å
70	A	98	Very high	97.8	Very high	54 Å²	54	63.4 Å²	63.4	45%	0.446	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-83.8	141.7	170.2	0	0	0	0	0	111.3	G72 D73 I101	A70-G72 PolarHBondContact O-N 3Å; A70-D73 WeakPolarHBondContact CB-OD2 3.42Å; A70-D73 PolarHBondContact N-OD2 2.83Å; A70-D73 WeakPolarHBondContact O-CB 3.43Å; A70-D73 VanDerWaalsContact O-CG 3.3Å; A70-D73 PolarHBondContact O-N 3.16Å; A70-D73 VanDerWaalsContact O-N 3.09Å; A70-I101 WeakPolarHBondContact O-CB 3.26Å
71	V	98.6	Very high	97.9	Very high	90 Å²	90	63.5 Å²	63.5	55%	0.545	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	127.2	169.6	176.8	0	0	0	0	109.1	V104	V71-V104 HydrophobicContact CG2-CG1 4.12Å; V71-V104 HydrophobicContact CG2-CG2 4.17Å
72	G	98.5	Very high	98	Very high	47 Å²	47	62.7 Å²	62.7	49%	0.485	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	-11.9	-174.4	0	0	0	0	0	114.5	A70 I101	A70-G72 PolarHBondContact O-N 3Å; G72-I101 PolarHBondContact N-O 2.83Å
73	D	98.5	Very high	98.1	Very high	72 Å²	72	58.5 Å²	58.5	39%	0.385	32%	0.319	S	S	.	.			trans	-61.2	139.7	175.9	-74.1	-14.7	0	0	0	111.2	A70 T100 I101	A70-D73 WeakPolarHBondContact CB-OD2 3.42Å; A70-D73 PolarHBondContact N-OD2 2.83Å; A70-D73 WeakPolarHBondContact O-CB 3.43Å; A70-D73 VanDerWaalsContact O-CG 3.3Å; A70-D73 PolarHBondContact O-N 3.16Å; A70-D73 VanDerWaalsContact O-N 3.09Å; D73-T100 CarbonylContact O-C 3.57Å; D73-T100 VanDerWaalsContact O-CA 3.29Å; D73-T100 WeakPolarHBondContact O-CA 3.39Å; D73-I101 HydrophobicContact CB-CG1 4.01Å; D73-I101 PolarHBondContact O-N 2.96Å
74	K	98.6	Very high	98.1	Very high	177 Å²	177	58.4 Å²	58.4	77%	0.77	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.6	171.4	-68	-174.7	179.9	-176.9	0	108.8	G99	K74-G99 WeakPolarHBondContact CA-O 3.46Å
75	V	98.5	Very high	98.1	Very high	11 Å²	11	58.6 Å²	58.6	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.2	179.7	-64.2	0	0	0	0	109.4	D79 C81 S95 S98 G99 I101 L128	V75-D79 HydrophobicContact CB-CB 4.42Å; V75-C81 HydrophobicContact CG1-CB 3.89Å; V75-S95 WeakPolarHBondContact CG2-OG 3.35Å; V75-S98 CarbonylContact O-C 3.53Å; V75-S98 VanDerWaalsContact O-CA 3.27Å; V75-S98 WeakPolarHBondContact O-CA 3.19Å; V75-G99 PolarHBondContact N-O 2.83Å; V75-G99 PolarHBondContact O-N 2.67Å; V75-I101 HydrophobicContact CG1-CD1 4.41Å; V75-I101 HydrophobicContact CG2-CD1 4.17Å; V75-L128 HydrophobicContact CG2-CD1 4.13Å
76	N	98.5	Very high	98.1	Very high	96 Å²	96	53.5 Å²	53.5	51%	0.513	30%	0.296	S	S	.	.			trans	-97.4	164.4	169	-54.8	-72.3	0	0	0	110.5	N78 D79 S98	N76-N78 PolarHBondContact O-N 3.12Å; N76-D79 WeakPolarHBondContact CA-OD2 3.47Å; N76-D79 VanDerWaalsContact CB-OD2 3.29Å; N76-D79 WeakPolarHBondContact CB-OD2 3.46Å; N76-D79 PolarHBondContact N-OD2 3.37Å; N76-D79 PolarHBondContact ND2-OD2 2.98Å; N76-D79 WeakPolarHBondContact O-CB 3.49Å; N76-D79 PolarHBondContact O-N 3.19Å; N76-S98 WeakPolarHBondContact CA-OG 3.37Å
77	V	98.1	Very high	98	Very high	52 Å²	52	58.8 Å²	58.8	32%	0.315	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	130.4	168.6	-168.5	0	0	0	0	109.5	D79 S98 Q135	V77-D79 VanDerWaalsContact C-N 3.26Å; V77-D79 PolarHBondContact O-N 3.27Å; V77-S98 WeakPolarHBondContact CG2-OG 3.41Å; V77-S98 PolarHBondContact N-OG 3.08Å; V77-S98 VanDerWaalsContact N-OG 3.12Å; V77-Q135 VanDerWaalsContact CG2-CD 3.46Å; V77-Q135 HydrophobicContact CG2-CG 4.33Å
78	N	97.5	Very high	97.8	Very high	106 Å²	106	62.7 Å²	62.7	57%	0.567	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	11.2	-178.6	-53.8	-52	0	0	0	116.1	N76 Y94 S95	N76-N78 PolarHBondContact O-N 3.12Å; N78-Y94 VanDerWaalsContact O-CD1 3.3Å; N78-Y94 WeakPolarHBondContact O-CD1 3.37Å; N78-S95 PolarHBondContact N-O 3.28Å
79	D	98.2	Very high	97.6	Very high	61 Å²	61	63.9 Å²	63.9	33%	0.326	36%	0.356	S	S	.	.			trans	-71.7	134.8	166.9	-74.4	-8.3	0	0	0	109.5	V75 N76 V77 C81 Y94 S95	V75-D79 HydrophobicContact CB-CB 4.42Å; N76-D79 WeakPolarHBondContact CA-OD2 3.47Å; N76-D79 VanDerWaalsContact CB-OD2 3.29Å; N76-D79 WeakPolarHBondContact CB-OD2 3.46Å; N76-D79 PolarHBondContact N-OD2 3.37Å; N76-D79 PolarHBondContact ND2-OD2 2.98Å; N76-D79 WeakPolarHBondContact O-CB 3.49Å; N76-D79 PolarHBondContact O-N 3.19Å; V77-D79 VanDerWaalsContact C-N 3.26Å; V77-D79 PolarHBondContact O-N 3.27Å; D79-C81 PolarHBondContact O-N 3.41Å; D79-Y94 CarbonylContact O-C 3.59Å; D79-Y94 VanDerWaalsContact O-CA 3.32Å; D79-Y94 WeakPolarHBondContact O-CA 3.49Å; D79-S95 PolarHBondContact O-N 3Å
80	Q	97.9	Very high	97.6	Very high	101 Å²	101	67.5 Å²	67.5	47%	0.472	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	129.5	168.3	177.1	-169.5	-13.2	0	0	108.8	E92 Y94	Q80-E92 HydrophobicContact CG-CB 4.16Å; Q80-E92 HydrophobicContact CG-CG 4.34Å; Q80-Y94 HydrophobicContact CB-CD1 4.13Å; Q80-Y94 HydrophobicContact CB-CE1 4Å
81	C	97.2	Very high	97.5	Very high	16 Å²	16	67 Å²	67	11%	0.108	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	-14.5	-175.5	59	0	0	0	0	114.6	P69 V75 D79 V93 F126	P69-C81 VanDerWaalsContact CB-O 3.27Å; P69-C81 WeakPolarHBondContact CB-O 3.15Å; P69-C81 VanDerWaalsContact CD-O 3.29Å; P69-C81 WeakPolarHBondContact CD-O 3.4Å; V75-C81 HydrophobicContact CG1-CB 3.89Å; D79-C81 PolarHBondContact O-N 3.41Å; C81-V93 PolarHBondContact N-O 3.38Å; C81-F126 VanDerWaalsContact SG-CE1 3.58Å; C81-F126 WeakPolarHBondContact SG-CZ 3.42Å
82	A	98.3	Very high	97.5	Very high	2 Å²	2	66.8 Å²	66.8	2%	0.017	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	165.5	173	0	0	0	0	0	110.3	E67 V93 F126	E67-A82 CarbonylContact O-C 3.6Å; E67-A82 WeakPolarHBondContact O-CA 3.3Å; E67-A82 WeakPolarHBondContact O-CB 3.31Å; A82-V93 HydrophobicContact CB-CB 3.9Å; A82-V93 HydrophobicContact CB-CG1 4.39Å; A82-V93 HydrophobicContact CB-CG2 4.36Å; A82-V93 PolarHBondContact N-O 3.11Å; A82-V93 PolarHBondContact O-N 3.08Å; A82-F126 HydrophobicContact CB-CE1 4.41Å
83	V	98.2	Very high	97.5	Very high	20 Å²	20	64.6 Å²	64.6	12%	0.121	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	136.4	173.8	-176.7	0	0	0	0	108.8	V66 E67 V90	V66-V83 CarbonylContact C-O 3.22Å; V66-V83 WeakPolarHBondContact CA-O 3.07Å; E67-V83 HydrophobicContact CB-CB 4.03Å; E67-V83 PolarHBondContact N-O 3.16Å; E67-V83 PolarHBondContact O-N 2.98Å; V83-V90 HydrophobicContact CG1-CG1 3.5Å
84	V	98	Very high	97.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.7	172.6	179.7	0	0	0	0	108.1	I52 L60 I63 V66 S91 V93 L125	I52-V84 HydrophobicContact CD1-CG1 4.33Å; I52-V84 HydrophobicContact CG2-CG2 4.33Å; L60-V84 HydrophobicContact CD1-CB 4.46Å; L60-V84 HydrophobicContact CD1-CG1 3.98Å; I63-V84 HydrophobicContact CB-CG1 4.43Å; I63-V84 HydrophobicContact CD1-CG1 3.79Å; I63-V84 HydrophobicContact CG1-CG1 3.91Å; I63-V84 HydrophobicContact CG2-CG1 3.61Å; V66-V84 HydrophobicContact CG2-CG2 4.26Å; V84-S91 PolarHBondContact N-O 2.82Å; V84-S91 PolarHBondContact O-N 2.86Å; V84-V93 HydrophobicContact CG2-CG2 3.86Å; V84-L125 HydrophobicContact CG2-CD1 4.19Å
85	E	97.8	Very high	97.4	Very high	75 Å²	75	55.1 Å²	55.1	35%	0.35	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.6	-178.6	174.3	173.3	-172.5	0	0	110.9	I63 V64 Y65 V90	I63-E85 CarbonylContact C-O 3.55Å; I63-E85 WeakPolarHBondContact CG2-O 3.33Å; V64-E85 HydrophobicContact CG2-CG 4.26Å; V64-E85 PolarHBondContact N-O 3.25Å; Y65-E85 HydrophobicContact CD1-CB 4.33Å; Y65-E85 PolarHBondContact N-O 3.19Å; Y65-E85 VanDerWaalsContact N-O 3.14Å; Y65-E85 PolarHBondContact O-N 3.32Å; E85-V90 HydrophobicContact CB-CG2 4.3Å; E85-V90 HydrophobicContact CG-CG2 3.93Å
86	S	97.2	Very high	97.4	Very high	5 Å²	5	54.8 Å²	54.8	4%	0.035	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	173.6	173.5	66.2	0	0	0	0	110	L60 D62 K88 A89	L60-S86 WeakPolarHBondContact O-CB 3.39Å; L60-S86 PolarHBondContact O-OG 3.42Å; D62-S86 WeakPolarHBondContact O-CA 3.15Å; D62-S86 WeakPolarHBondContact O-CB 3.48Å; S86-K88 PolarHBondContact O-N 2.84Å; S86-K88 PolarHBondContact OG-N 3.26Å; S86-A89 PolarHBondContact N-O 2.79Å; S86-A89 PolarHBondContact OG-N 3.35Å; S86-A89 PolarHBondContact OG-O 2.92Å
87	V	95.1	Very high	97.4	Very high	116 Å²	116	50.2 Å²	50.2	70%	0.703	27%	0.269	S	S	*	.	S	Bend	trans	-60.6	-17.3	172.5	-175.4	0	0	0	0	112.6	D62 V64	D62-V87 PolarHBondContact O-N 3.17Å; V64-V87 HydrophobicContact CG1-CG2 3.56Å
88	K	93.7	Very high	97.5	Very high	182 Å²	182	48.3 Å²	48.3	79%	0.791	26%	0.258	S	S	*	.	S	Bend	trans	-111.8	-29.3	-171.6	-63.6	-179.1	-178.6	173.3	0	114.4	S86	S86-K88 PolarHBondContact O-N 2.84Å; S86-K88 PolarHBondContact OG-N 3.26Å
89	A	96	Very high	97.5	Very high	45 Å²	45	43.5 Å²	43.5	37%	0.372	23%	0.234	S	C	.	.			trans	-158	154.5	-169	0	0	0	0	0	111.8	L60 S86	L60-A89 HydrophobicContact CD2-CB 3.98Å; S86-A89 PolarHBondContact N-O 2.79Å; S86-A89 PolarHBondContact OG-N 3.35Å; S86-A89 PolarHBondContact OG-O 2.92Å
90	V	96.5	Very high	97.6	Very high	90 Å²	90	43.1 Å²	43.1	55%	0.545	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	133.1	169	-178.1	0	0	0	0	107.8	V83 E85	V83-V90 HydrophobicContact CG1-CG1 3.5Å; E85-V90 HydrophobicContact CB-CG2 4.3Å; E85-V90 HydrophobicContact CG-CG2 3.93Å
91	S	96.6	Very high	97.6	Very high	43 Å²	43	38.3 Å²	38.3	30%	0.301	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.3	174.6	-172.1	0	0	0	0	110.6	V84	V84-S91 PolarHBondContact N-O 2.82Å; V84-S91 PolarHBondContact O-N 2.86Å
92	E	98	Very high	97.7	Very high	85 Å²	85	40.5 Å²	40.5	40%	0.397	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	141	166.6	-64.7	174.8	179.7	0	0	109.5	Q80 Y94	Q80-E92 HydrophobicContact CG-CB 4.16Å; Q80-E92 HydrophobicContact CG-CG 4.34Å; E92-Y94 HydrophobicContact CB-CE2 3.83Å; E92-Y94 PolarHBondContact OE2-OH 2.86Å
93	V	98.3	Very high	97.7	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.7	176.5	179.6	0	0	0	0	108.6	E39 I52 C81 A82 V84 L125 F126	E39-V93 HydrophobicContact CG-CG1 4Å; I52-V93 HydrophobicContact CG2-CG2 3.91Å; C81-V93 PolarHBondContact N-O 3.38Å; A82-V93 HydrophobicContact CB-CB 3.9Å; A82-V93 HydrophobicContact CB-CG1 4.39Å; A82-V93 HydrophobicContact CB-CG2 4.36Å; A82-V93 PolarHBondContact N-O 3.11Å; A82-V93 PolarHBondContact O-N 3.08Å; V84-V93 HydrophobicContact CG2-CG2 3.86Å; V93-L125 HydrophobicContact CG1-CD1 4.1Å; V93-L125 HydrophobicContact CG2-CD1 4.04Å; V93-F126 HydrophobicContact CG1-CE1 4.43Å
94	Y	98.5	Very high	97.7	Very high	50 Å²	50	45.1 Å²	45.1	20%	0.196	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	147.2	-176	-59.7	-91.6	0	0	0	111.3	K37 E39 N78 D79 Q80 E92 P96	K37-Y94 HydrophobicContact CD-CD2 3.29Å; K37-Y94 HydrophobicContact CD-CE2 3.71Å; K37-Y94 HydrophobicContact CD-CG 3.91Å; K37-Y94 VanDerWaalsContact NZ-CE1 3.33Å; K37-Y94 VanDerWaalsContact NZ-CG 3.26Å; E39-Y94 PolarHBondContact OE1-N 2.86Å; N78-Y94 VanDerWaalsContact O-CD1 3.3Å; N78-Y94 WeakPolarHBondContact O-CD1 3.37Å; D79-Y94 CarbonylContact O-C 3.59Å; D79-Y94 VanDerWaalsContact O-CA 3.32Å; D79-Y94 WeakPolarHBondContact O-CA 3.49Å; Q80-Y94 HydrophobicContact CB-CD1 4.13Å; Q80-Y94 HydrophobicContact CB-CE1 4Å; E92-Y94 HydrophobicContact CB-CE2 3.83Å; E92-Y94 PolarHBondContact OE2-OH 2.86Å; Y94-P96 VanDerWaalsContact O-CD 3.26Å; Y94-P96 WeakPolarHBondContact O-CD 3.17Å
95	S	98.4	Very high	97.7	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	25%	0.246	C	C	.	.			trans	-70.5	122	177.7	-167	0	0	0	0	110.7	V75 N78 D79 V97	V75-S95 WeakPolarHBondContact CG2-OG 3.35Å; N78-S95 PolarHBondContact N-O 3.28Å; D79-S95 PolarHBondContact O-N 3Å; S95-V97 PolarHBondContact O-N 3.21Å; S95-V97 PolarHBondContact OG-O 3.3Å
96	P	98.3	Very high	97.7	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.019	25%	0.246	C	C	.	.	S	Bend	trans	-65.7	-23.2	178.5	-23.8	35.9	0	0	0	113.4	T35 E39 I41 V50 Y94 L139	T35-P96 HydrophobicContact CG2-CB 3.72Å; T35-P96 HydrophobicContact CG2-CG 3.9Å; E39-P96 HydrophobicContact CB-CG 4.32Å; I41-P96 HydrophobicContact CB-CB 4.4Å; I41-P96 HydrophobicContact CB-CG 4.31Å; I41-P96 HydrophobicContact CG2-CB 4.25Å; V50-P96 HydrophobicContact CG1-CG 4.05Å; V50-P96 HydrophobicContact CG2-CG 4.25Å; Y94-P96 VanDerWaalsContact O-CD 3.26Å; Y94-P96 WeakPolarHBondContact O-CD 3.17Å; P96-L139 HydrophobicContact CB-CD1 4.09Å; P96-L139 HydrophobicContact CB-CD2 4.22Å
97	V	98.6	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	S	Bend	trans	-146.4	158.8	-175.4	-65.5	0	0	0	0	110.5	I41 S95 L128 L130 Q135 V136 L139	I41-V97 HydrophobicContact CD1-CG1 4.44Å; I41-V97 HydrophobicContact CD1-CG2 3.63Å; S95-V97 PolarHBondContact O-N 3.21Å; S95-V97 PolarHBondContact OG-O 3.3Å; V97-L128 HydrophobicContact CG2-CD1 3.78Å; V97-L128 HydrophobicContact CG2-CD2 4.47Å; V97-L128 HydrophobicContact CG2-CG 4.38Å; V97-L130 HydrophobicContact CB-CD2 4.4Å; V97-L130 HydrophobicContact CB-CG 4.39Å; V97-L130 HydrophobicContact CG1-CD2 4.38Å; V97-L130 HydrophobicContact CG2-CD1 4.18Å; V97-L130 HydrophobicContact CG2-CD2 3.93Å; V97-L130 HydrophobicContact CG2-CG 3.63Å; V97-Q135 HydrophobicContact CB-CB 4.44Å; V97-Q135 HydrophobicContact CG1-CB 4.01Å; V97-V136 HydrophobicContact CG1-CG2 4.17Å; V97-L139 HydrophobicContact CG1-CD1 4.2Å
98	S	98.7	Very high	97.8	Very high	12 Å²	12	42.4 Å²	42.4	8%	0.084	23%	0.231	C	C	.	.			trans	-74.6	143.9	172.2	-63.9	0	0	0	0	111	V75 N76 V77 S131 Q135	V75-S98 CarbonylContact O-C 3.53Å; V75-S98 VanDerWaalsContact O-CA 3.27Å; V75-S98 WeakPolarHBondContact O-CA 3.19Å; N76-S98 WeakPolarHBondContact CA-OG 3.37Å; V77-S98 WeakPolarHBondContact CG2-OG 3.41Å; V77-S98 PolarHBondContact N-OG 3.08Å; V77-S98 VanDerWaalsContact N-OG 3.12Å; S98-S131 VanDerWaalsContact C-OG 3.31Å; S98-S131 WeakPolarHBondContact CB-OG 3.43Å; S98-S131 PolarHBondContact O-N 3.21Å; S98-S131 PolarHBondContact O-OG 2.88Å; S98-Q135 PolarHBondContact OG-NE2 3.47Å
99	G	98.6	Very high	97.9	Very high	6 Å²	6	38.7 Å²	38.7	6%	0.062	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-160.8	177.9	0	0	0	0	0	115.2	K74 V75 R129	K74-G99 WeakPolarHBondContact CA-O 3.46Å; V75-G99 PolarHBondContact N-O 2.83Å; V75-G99 PolarHBondContact O-N 2.67Å; G99-R129 CarbonylContact C-O 3.57Å; G99-R129 WeakPolarHBondContact CA-O 3.39Å
100	T	98.7	Very high	97.9	Very high	52 Å²	52	43.6 Å²	43.6	32%	0.319	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.2	176.3	-56.8	0	0	0	0	109.7	D73 I102 L128 R129	D73-T100 CarbonylContact O-C 3.57Å; D73-T100 VanDerWaalsContact O-CA 3.29Å; D73-T100 WeakPolarHBondContact O-CA 3.39Å; T100-I102 PolarHBondContact O-N 3.18Å; T100-L128 CarbonylContact O-C 3.53Å; T100-L128 WeakPolarHBondContact O-CA 3.43Å; T100-L128 WeakPolarHBondContact O-CB 3.39Å; T100-R129 PolarHBondContact N-O 3.13Å; T100-R129 PolarHBondContact O-N 2.89Å
101	I	98.8	Very high	97.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	126	176.6	-53.1	-58.1	0	0	0	109	P69 A70 G72 D73 V75 V104 F126 L128	P69-I101 HydrophobicContact CB-CD1 4.43Å; P69-I101 HydrophobicContact CB-CG1 4.03Å; P69-I101 HydrophobicContact CG-CD1 4.05Å; P69-I101 HydrophobicContact CG-CG1 4.05Å; P69-I101 HydrophobicContact CG-CG2 4.07Å; A70-I101 WeakPolarHBondContact O-CB 3.26Å; G72-I101 PolarHBondContact N-O 2.83Å; D73-I101 HydrophobicContact CB-CG1 4.01Å; D73-I101 PolarHBondContact O-N 2.96Å; V75-I101 HydrophobicContact CG1-CD1 4.41Å; V75-I101 HydrophobicContact CG2-CD1 4.17Å; I101-V104 HydrophobicContact CG2-CG1 4.03Å; I101-F126 HydrophobicContact CD1-CD2 3.53Å; I101-F126 HydrophobicContact CD1-CE2 3.84Å; I101-F126 HydrophobicContact CD1-CG 4.22Å; I101-F126 HydrophobicContact CG2-CB 4.42Å; I101-L128 HydrophobicContact CD1-CB 4.16Å
102	I	98.6	Very high	97.9	Very high	62 Å²	62	41.3 Å²	41.3	32%	0.318	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	-20.5	-177.6	61	171.1	0	0	0	113.2	V47 T100 K127 R129	V47-I102 HydrophobicContact CG1-CD1 3.84Å; V47-I102 HydrophobicContact CG2-CD1 3.93Å; T100-I102 PolarHBondContact O-N 3.18Å; I102-K127 HydrophobicContact CD1-CB 4.31Å; I102-K127 HydrophobicContact CG1-CB 3.89Å; I102-K127 WeakPolarHBondContact CG1-O 3.2Å; I102-K127 PolarHBondContact N-O 3.37Å; I102-R129 HydrophobicContact CG2-CB 4.01Å
103	E	98.6	Very high	97.9	Very high	80 Å²	80	43 Å²	43	37%	0.374	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	147.9	-177.1	-158.9	-176.9	140.1	0	0	109.6	W124 F126 K127	E103-W124 HydrophobicContact CG-CH2 3.96Å; E103-W124 HydrophobicContact CG-CZ3 4.5Å; E103-W124 VanDerWaalsContact OE1-CH2 3.31Å; E103-W124 WeakPolarHBondContact OE1-CH2 3.39Å; E103-F126 CarbonylContact O-C 3.52Å; E103-F126 WeakPolarHBondContact O-CA 3.46Å; E103-K127 HydrophobicContact CB-CB 4.04Å; E103-K127 HydrophobicContact CB-CD 4.2Å; E103-K127 HydrophobicContact CB-CG 4.3Å; E103-K127 PolarHBondContact N-O 3.2Å; E103-K127 PolarHBondContact O-N 3.45Å; E103-K127 IonicContact OE1-NZ 3.12Å; E103-K127 PolarHBondContact OE1-NZ 2.86Å; E103-K127 WeakPolarHBondContact OE2-CD 3.44Å; E103-K127 IonicContact OE2-NZ 3.37Å; E103-K127 PolarHBondContact OE2-NZ 2.93Å
104	V	98.6	Very high	97.9	Very high	38 Å²	38	44.5 Å²	44.5	23%	0.23	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.1	174.7	-64.2	0	0	0	0	109.7	L68 P69 V71 I101 S106 F126	L68-V104 HydrophobicContact CB-CB 4.38Å; L68-V104 HydrophobicContact CB-CG1 4.4Å; L68-V104 HydrophobicContact CD1-CB 3.98Å; P69-V104 HydrophobicContact CG-CG1 4.28Å; P69-V104 WeakPolarHBondContact O-CG1 3.38Å; V71-V104 HydrophobicContact CG2-CG1 4.12Å; V71-V104 HydrophobicContact CG2-CG2 4.17Å; I101-V104 HydrophobicContact CG2-CG1 4.03Å; V104-S106 PolarHBondContact O-N 3.43Å; V104-S106 VanDerWaalsContact O-N 3.13Å; V104-F126 HydrophobicContact CG1-CB 4.2Å
105	N	98.3	Very high	97.8	Very high	8 Å²	8	42.1 Å²	42.1	4%	0.043	22%	0.221	C	C	.	.			trans	-84.9	85.4	-179.2	-171	-5.6	0	0	0	111.1	L68 D107 V108 E122 W124 L125	L68-N105 WeakPolarHBondContact CD1-O 3.25Å; N105-D107 PolarHBondContact O-N 3.01Å; N105-D107 WeakPolarHBondContact OD1-CB 3.43Å; N105-D107 PolarHBondContact OD1-N 2.82Å; N105-V108 HydrophobicContact CB-CG1 4.48Å; N105-V108 HydrophobicContact CB-CG2 4.1Å; N105-V108 WeakPolarHBondContact ND2-CG1 3.25Å; N105-V108 WeakPolarHBondContact O-CG2 3.28Å; N105-V108 PolarHBondContact O-N 3.13Å; N105-V108 VanDerWaalsContact O-N 3.16Å; N105-E122 PolarHBondContact ND2-O 3.05Å; N105-W124 HydrophobicContact CB-CD2 3.79Å; N105-W124 HydrophobicContact CB-CE3 3.86Å; N105-W124 HydrophobicContact CB-CG 4.49Å; N105-W124 HydrophobicContact CB-CH2 3.74Å; N105-W124 HydrophobicContact CB-CZ2 3.66Å; N105-W124 HydrophobicContact CB-CZ3 3.83Å; N105-W124 WeakPolarHBondContact CB-O 3.2Å; N105-W124 PolarHBondContact ND2-NE1 3.15Å; N105-W124 PolarHBondContact ND2-O 3.09Å; N105-L125 PolarHBondContact N-O 3.45Å
106	S	97.4	Very high	97.8	Very high	50 Å²	50	43.4 Å²	43.4	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-60.9	-13.8	179.2	72.5	0	0	0	0	114.3	V104 K110	V104-S106 PolarHBondContact O-N 3.43Å; V104-S106 VanDerWaalsContact O-N 3.13Å; S106-K110 VanDerWaalsContact O-CE 3.29Å; S106-K110 WeakPolarHBondContact O-CE 3.33Å; S106-K110 WeakPolarHBondContact O-CG 3.47Å; S106-K110 PolarHBondContact O-N 2.84Å; S106-K110 PolarHBondContact OG-NZ 2.58Å
107	D	97.9	Very high	97.7	Very high	82 Å²	82	49.5 Å²	49.5	44%	0.439	26%	0.256	S	S	.	.	H	α-helix	trans	-78.8	-29.8	179.9	-62.7	-28.8	0	0	0	111.9	N105 E109 K110 S111 I114	N105-D107 PolarHBondContact O-N 3.01Å; N105-D107 WeakPolarHBondContact OD1-CB 3.43Å; N105-D107 PolarHBondContact OD1-N 2.82Å; D107-E109 VanDerWaalsContact C-N 3.33Å; D107-K110 PolarHBondContact O-N 2.97Å; D107-K110 IonicContact OD1-NZ 2.69Å; D107-K110 PolarHBondContact OD1-NZ 3.33Å; D107-S111 PolarHBondContact O-N 3.32Å; D107-I114 HydrophobicContact CB-CD1 3.91Å
108	V	97.5	Very high	97.7	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-71.8	-28.1	173.9	-60.7	0	0	0	0	112.5	V66 L68 N105 K110 S111 T112 I114 I115 L125	V66-V108 HydrophobicContact CG1-CB 4.38Å; V66-V108 HydrophobicContact CG1-CG2 4.02Å; V66-V108 WeakPolarHBondContact CG1-O 3.31Å; L68-V108 HydrophobicContact CD1-CG2 4.1Å; L68-V108 HydrophobicContact CD2-CG2 4.34Å; N105-V108 HydrophobicContact CB-CG1 4.48Å; N105-V108 HydrophobicContact CB-CG2 4.1Å; N105-V108 WeakPolarHBondContact ND2-CG1 3.25Å; N105-V108 WeakPolarHBondContact O-CG2 3.28Å; N105-V108 PolarHBondContact O-N 3.13Å; N105-V108 VanDerWaalsContact O-N 3.16Å; V108-K110 VanDerWaalsContact C-N 3.35Å; V108-S111 CarbonylContact O-C 3.54Å; V108-S111 PolarHBondContact O-N 3.34Å; V108-T112 WeakPolarHBondContact O-CA 3.26Å; V108-T112 PolarHBondContact O-N 2.89Å; V108-T112 VanDerWaalsContact O-N 3.12Å; V108-I114 HydrophobicContact CG1-CB 4.14Å; V108-I114 HydrophobicContact CG1-CG2 4.13Å; V108-I115 HydrophobicContact CB-CD1 3.97Å; V108-I115 HydrophobicContact CB-CG1 3.9Å; V108-I115 HydrophobicContact CG1-CD1 4.27Å; V108-I115 HydrophobicContact CG1-CG1 3.66Å; V108-I115 HydrophobicContact CG2-CD1 4.37Å; V108-L125 HydrophobicContact CG2-CD2 4.25Å
109	E	94.8	Very high	97.6	Very high	103 Å²	103	50.8 Å²	50.8	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-68.6	-35.4	171.6	-68.3	-179.2	128.9	0	0	111.6	V66 L68 D107	V66-E109 HydrophobicContact CG1-CG 4.1Å; L68-E109 HydrophobicContact CD1-CG 3.63Å; L68-E109 HydrophobicContact CG-CG 3.96Å; D107-E109 VanDerWaalsContact C-N 3.33Å
110	K	95.6	Very high	97.4	Very high	149 Å²	149	53.5 Å²	53.5	65%	0.648	28%	0.283	S	S	*	.	H	α-helix	trans	-77.1	-32.7	175.7	-64.2	168.4	-149.7	147.2	0	112	S106 D107 V108	S106-K110 VanDerWaalsContact O-CE 3.29Å; S106-K110 WeakPolarHBondContact O-CE 3.33Å; S106-K110 WeakPolarHBondContact O-CG 3.47Å; S106-K110 PolarHBondContact O-N 2.84Å; S106-K110 PolarHBondContact OG-NZ 2.58Å; D107-K110 PolarHBondContact O-N 2.97Å; D107-K110 IonicContact OD1-NZ 2.69Å; D107-K110 PolarHBondContact OD1-NZ 3.33Å; V108-K110 VanDerWaalsContact C-N 3.35Å
111	S	96.9	Very high	97.2	Very high	54 Å²	54	56.1 Å²	56.1	38%	0.378	30%	0.295	S	S	.	.			trans	-148.2	93.9	-178.4	-163.2	0	0	0	0	111.3	D107 V108 K113 I114	D107-S111 PolarHBondContact O-N 3.32Å; V108-S111 CarbonylContact O-C 3.54Å; V108-S111 PolarHBondContact O-N 3.34Å; S111-K113 PolarHBondContact O-N 2.69Å; S111-K113 VanDerWaalsContact O-N 3.12Å; S111-I114 WeakPolarHBondContact O-CG1 3.37Å; S111-I114 PolarHBondContact O-N 2.82Å; S111-I114 VanDerWaalsContact O-N 3.16Å
112	T	97.1	Very high	97.2	Very high	30 Å²	30	62 Å²	62	18%	0.184	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.6	177.4	53.4	0	0	0	0	113.1	I63 V66 V108 I114 I115	I63-T112 HydrophobicContact CG2-CG2 4.21Å; I63-T112 VanDerWaalsContact O-CB 3.24Å; I63-T112 WeakPolarHBondContact O-CB 3.26Å; I63-T112 PolarHBondContact O-OG1 2.92Å; V66-T112 HydrophobicContact CG1-CG2 4.19Å; V108-T112 WeakPolarHBondContact O-CA 3.26Å; V108-T112 PolarHBondContact O-N 2.89Å; V108-T112 VanDerWaalsContact O-N 3.12Å; T112-I114 PolarHBondContact O-N 3.07Å; T112-I115 WeakPolarHBondContact O-CB 3.23Å; T112-I115 PolarHBondContact O-N 2.77Å
113	K	96.9	Very high	97.2	Very high	120 Å²	120	59.1 Å²	59.1	52%	0.522	31%	0.307	S	S	.	.	H	α-helix	trans	-53.1	-28.7	175	-166.6	-176.8	-176.1	-171.6	0	113.3	S111 I115 N116 Q117	S111-K113 PolarHBondContact O-N 2.69Å; S111-K113 VanDerWaalsContact O-N 3.12Å; K113-I115 PolarHBondContact O-N 2.91Å; K113-N116 PolarHBondContact O-N 2.84Å; K113-Q117 VanDerWaalsContact CE-NE2 3.32Å; K113-Q117 HydrophobicContact CG-CG 4.03Å; K113-Q117 WeakPolarHBondContact O-CB 3.32Å; K113-Q117 VanDerWaalsContact O-CG 3.31Å; K113-Q117 WeakPolarHBondContact O-CG 3.47Å; K113-Q117 PolarHBondContact O-N 2.93Å
114	I	98.1	Very high	97.2	Very high	34 Å²	34	57.2 Å²	57.2	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-39.8	176	-61.8	171.2	0	0	0	110.4	D107 V108 S111 T112 Q117 S118 E122	D107-I114 HydrophobicContact CB-CD1 3.91Å; V108-I114 HydrophobicContact CG1-CB 4.14Å; V108-I114 HydrophobicContact CG1-CG2 4.13Å; S111-I114 WeakPolarHBondContact O-CG1 3.37Å; S111-I114 PolarHBondContact O-N 2.82Å; S111-I114 VanDerWaalsContact O-N 3.16Å; T112-I114 PolarHBondContact O-N 3.07Å; I114-Q117 PolarHBondContact O-N 2.83Å; I114-S118 PolarHBondContact O-N 3.24Å; I114-E122 HydrophobicContact CG2-CB 3.77Å; I114-E122 WeakPolarHBondContact CG2-O 3.48Å
115	I	97.9	Very high	97.2	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-64.5	-45.5	177.1	-53.4	171.5	0	0	0	110	I52 I63 V66 V108 T112 K113 Q117 P119 L125	I52-I115 HydrophobicContact CD1-CG2 3.71Å; I52-I115 HydrophobicContact CG1-CG2 3.87Å; I63-I115 HydrophobicContact CD1-CB 3.79Å; I63-I115 HydrophobicContact CD1-CG2 3.36Å; I63-I115 HydrophobicContact CG2-CD1 4.36Å; V66-I115 HydrophobicContact CB-CD1 4.27Å; V66-I115 HydrophobicContact CG2-CD1 4.27Å; V108-I115 HydrophobicContact CB-CD1 3.97Å; V108-I115 HydrophobicContact CB-CG1 3.9Å; V108-I115 HydrophobicContact CG1-CD1 4.27Å; V108-I115 HydrophobicContact CG1-CG1 3.66Å; V108-I115 HydrophobicContact CG2-CD1 4.37Å; T112-I115 WeakPolarHBondContact O-CB 3.23Å; T112-I115 PolarHBondContact O-N 2.77Å; K113-I115 PolarHBondContact O-N 2.91Å; I115-Q117 VanDerWaalsContact C-N 3.35Å; I115-Q117 PolarHBondContact O-N 3.36Å; I115-P119 WeakPolarHBondContact O-CA 3.3Å; I115-P119 WeakPolarHBondContact O-CB 3.38Å; I115-P119 VanDerWaalsContact O-CD 3.26Å; I115-P119 WeakPolarHBondContact O-CD 3.45Å; I115-L125 HydrophobicContact CD1-CD2 3.87Å; I115-L125 HydrophobicContact CG1-CD2 4.46Å
116	N	97.2	Very high	97.2	Very high	28 Å²	28	55 Å²	55	15%	0.15	28%	0.284	C	S	.	.	H	α-helix	trans	-64.1	-36.8	177.3	-66.4	112.5	0	0	0	113.2	E57 G61 I63 K113	E57-N116 WeakPolarHBondContact OE1-CA 3.34Å; E57-N116 PolarHBondContact OE1-ND2 2.9Å; G61-N116 PolarHBondContact O-ND2 2.82Å; I63-N116 WeakPolarHBondContact CB-OD1 3.29Å; I63-N116 PolarHBondContact N-OD1 3.17Å; I63-N116 VanDerWaalsContact N-OD1 3.1Å; K113-N116 PolarHBondContact O-N 2.84Å
117	Q	97.5	Very high	97.2	Very high	130 Å²	130	54.9 Å²	54.9	61%	0.607	28%	0.277	S	S	*	.	H	α-helix	trans	-81.8	-34.5	-175.8	-71.7	-179.3	-50.9	0	0	113.5	K113 I114 I115	K113-Q117 VanDerWaalsContact CE-NE2 3.32Å; K113-Q117 HydrophobicContact CG-CG 4.03Å; K113-Q117 WeakPolarHBondContact O-CB 3.32Å; K113-Q117 VanDerWaalsContact O-CG 3.31Å; K113-Q117 WeakPolarHBondContact O-CG 3.47Å; K113-Q117 PolarHBondContact O-N 2.93Å; I114-Q117 PolarHBondContact O-N 2.83Å; I115-Q117 VanDerWaalsContact C-N 3.35Å; I115-Q117 PolarHBondContact O-N 3.36Å
118	S	97.4	Very high	97.3	Very high	29 Å²	29	51 Å²	51	20%	0.203	26%	0.256	C	S	.	.			trans	-144	57	-170.6	-161.4	0	0	0	0	112.1	I114 S120 D121 E122 G123	I114-S118 PolarHBondContact O-N 3.24Å; S118-S120 PolarHBondContact O-N 2.88Å; S118-S120 VanDerWaalsContact O-N 3.08Å; S118-D121 PolarHBondContact O-N 2.5Å; S118-D121 VanDerWaalsContact O-N 3.12Å; S118-E122 PolarHBondContact O-N 3.21Å; S118-E122 PolarHBondContact OG-N 2.85Å; S118-G123 WeakPolarHBondContact O-CA 3.27Å; S118-G123 PolarHBondContact O-N 2.96Å
119	P	97	Very high	97.3	Very high	11 Å²	11	57.5 Å²	57.5	7%	0.071	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.7	-170.9	22.8	-33.1	0	0	0	113.6	W40 K54 E57 I115	W40-P119 PolarHBondContact NE1-O 2.81Å; K54-P119 HydrophobicContact CB-CG 4.04Å; K54-P119 HydrophobicContact CG-CG 4.3Å; E57-P119 HydrophobicContact CB-CB 4.11Å; E57-P119 HydrophobicContact CB-CG 4.39Å; E57-P119 HydrophobicContact CG-CB 4.34Å; E57-P119 HydrophobicContact CG-CG 4.45Å; I115-P119 WeakPolarHBondContact O-CA 3.3Å; I115-P119 WeakPolarHBondContact O-CB 3.38Å; I115-P119 VanDerWaalsContact O-CD 3.26Å; I115-P119 WeakPolarHBondContact O-CD 3.45Å
120	S	94.2	Very high	97.5	Very high	63 Å²	63	53.2 Å²	53.2	44%	0.441	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	5.5	-177.2	-51.8	0	0	0	0	114.4	S118	S118-S120 PolarHBondContact O-N 2.88Å; S118-S120 VanDerWaalsContact O-N 3.08Å
121	D	95.9	Very high	97.6	Very high	107 Å²	107	50.3 Å²	50.3	57%	0.572	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-139.8	-87.2	178.4	-161.8	33	0	0	0	111.2	S118 G123	S118-D121 PolarHBondContact O-N 2.5Å; S118-D121 VanDerWaalsContact O-N 3.12Å; D121-G123 VanDerWaalsContact C-N 3.27Å; D121-G123 PolarHBondContact O-N 2.9Å
122	E	97.6	Very high	97.6	Very high	125 Å²	125	50.9 Å²	50.9	58%	0.584	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-22.1	-176	-58.5	-175.8	152.9	0	0	113.2	N105 I114 S118 W124	N105-E122 PolarHBondContact ND2-O 3.05Å; I114-E122 HydrophobicContact CG2-CB 3.77Å; I114-E122 WeakPolarHBondContact CG2-O 3.48Å; S118-E122 PolarHBondContact O-N 3.21Å; S118-E122 PolarHBondContact OG-N 2.85Å; E122-W124 PolarHBondContact O-N 3.35Å
123	G	98.2	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	20.5	179.5	0	0	0	0	0	115.4	S118 D121	S118-G123 WeakPolarHBondContact O-CA 3.27Å; S118-G123 PolarHBondContact O-N 2.96Å; D121-G123 VanDerWaalsContact C-N 3.27Å; D121-G123 PolarHBondContact O-N 2.9Å
124	W	98.5	Very high	97.5	Very high	41 Å²	41	51.1 Å²	51.1	16%	0.155	27%	0.268	C	S	.	.			trans	-62.3	149.6	172.1	67.9	-80.9	0	0	0	111.1	W40 T49 E103 N105 E122 K127	W40-W124 HydrophobicContact CH2-CB 3.76Å; W40-W124 HydrophobicContact CZ2-CB 3.98Å; T49-W124 HydrophobicContact CG2-CB 3.57Å; T49-W124 HydrophobicContact CG2-CD2 4.08Å; T49-W124 HydrophobicContact CG2-CE3 4.13Å; T49-W124 HydrophobicContact CG2-CG 3.87Å; E103-W124 HydrophobicContact CG-CH2 3.96Å; E103-W124 HydrophobicContact CG-CZ3 4.5Å; E103-W124 VanDerWaalsContact OE1-CH2 3.31Å; E103-W124 WeakPolarHBondContact OE1-CH2 3.39Å; N105-W124 HydrophobicContact CB-CD2 3.79Å; N105-W124 HydrophobicContact CB-CE3 3.86Å; N105-W124 HydrophobicContact CB-CG 4.49Å; N105-W124 HydrophobicContact CB-CH2 3.74Å; N105-W124 HydrophobicContact CB-CZ2 3.66Å; N105-W124 HydrophobicContact CB-CZ3 3.83Å; N105-W124 WeakPolarHBondContact CB-O 3.2Å; N105-W124 PolarHBondContact ND2-NE1 3.15Å; N105-W124 PolarHBondContact ND2-O 3.09Å; E122-W124 PolarHBondContact O-N 3.35Å; W124-K127 HydrophobicContact CE3-CG 4.02Å; W124-K127 HydrophobicContact CH2-CG 4.49Å; W124-K127 HydrophobicContact CZ3-CD 4.37Å; W124-K127 HydrophobicContact CZ3-CG 3.79Å
125	L	98.7	Very high	97.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.267	C	S	.	.			trans	-100.8	-51.5	-174.7	-60.9	-179.8	0	0	0	111.7	V50 I52 V66 L68 V84 V93 N105 V108 I115	V50-L125 PolarHBondContact O-N 3.31Å; I52-L125 HydrophobicContact CG2-CD1 4.24Å; V66-L125 HydrophobicContact CG2-CD2 3.92Å; L68-L125 HydrophobicContact CD2-CB 3.9Å; L68-L125 HydrophobicContact CD2-CD2 4.09Å; V84-L125 HydrophobicContact CG2-CD1 4.19Å; V93-L125 HydrophobicContact CG1-CD1 4.1Å; V93-L125 HydrophobicContact CG2-CD1 4.04Å; N105-L125 PolarHBondContact N-O 3.45Å; V108-L125 HydrophobicContact CG2-CD2 4.25Å; I115-L125 HydrophobicContact CD1-CD2 3.87Å; I115-L125 HydrophobicContact CG1-CD2 4.46Å
126	F	98.7	Very high	97.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	162.9	-179	59.5	-91.8	0	0	0	111.8	V50 P69 C81 A82 V93 I101 E103 V104 L128	V50-F126 HydrophobicContact CB-CD2 4.14Å; V50-F126 HydrophobicContact CB-CE1 4.19Å; V50-F126 HydrophobicContact CB-CE2 3.71Å; V50-F126 HydrophobicContact CB-CZ 3.72Å; V50-F126 HydrophobicContact CG1-CE1 3.97Å; V50-F126 HydrophobicContact CG1-CE2 4.07Å; V50-F126 HydrophobicContact CG1-CZ 3.57Å; V50-F126 HydrophobicContact CG2-CD2 4.38Å; V50-F126 HydrophobicContact CG2-CE2 3.79Å; V50-F126 HydrophobicContact CG2-CZ 4.15Å; V50-F126 PolarHBondContact N-O 3.22Å; V50-F126 PolarHBondContact O-N 2.96Å; P69-F126 HydrophobicContact CG-CB 3.97Å; P69-F126 HydrophobicContact CG-CD1 3.97Å; P69-F126 HydrophobicContact CG-CG 3.96Å; C81-F126 VanDerWaalsContact SG-CE1 3.58Å; C81-F126 WeakPolarHBondContact SG-CZ 3.42Å; A82-F126 HydrophobicContact CB-CE1 4.41Å; V93-F126 HydrophobicContact CG1-CE1 4.43Å; I101-F126 HydrophobicContact CD1-CD2 3.53Å; I101-F126 HydrophobicContact CD1-CE2 3.84Å; I101-F126 HydrophobicContact CD1-CG 4.22Å; I101-F126 HydrophobicContact CG2-CB 4.42Å; E103-F126 CarbonylContact O-C 3.52Å; E103-F126 WeakPolarHBondContact O-CA 3.46Å; V104-F126 HydrophobicContact CG1-CB 4.2Å; F126-L128 HydrophobicContact CD2-CD2 4.3Å; F126-L128 HydrophobicContact CE2-CD2 3.99Å
127	K	98.6	Very high	97.3	Very high	46 Å²	46	58.5 Å²	58.5	20%	0.2	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	143.5	167.1	-58.3	179	-164.9	154.2	0	109.4	V47 G48 T49 I102 E103 W124	V47-K127 HydrophobicContact CG1-CB 4.35Å; G48-K127 CarbonylContact O-C 3.52Å; G48-K127 WeakPolarHBondContact O-CA 3.38Å; T49-K127 HydrophobicContact CG2-CG 4.13Å; I102-K127 HydrophobicContact CD1-CB 4.31Å; I102-K127 HydrophobicContact CG1-CB 3.89Å; I102-K127 WeakPolarHBondContact CG1-O 3.2Å; I102-K127 PolarHBondContact N-O 3.37Å; E103-K127 HydrophobicContact CB-CB 4.04Å; E103-K127 HydrophobicContact CB-CD 4.2Å; E103-K127 HydrophobicContact CB-CG 4.3Å; E103-K127 PolarHBondContact N-O 3.2Å; E103-K127 PolarHBondContact O-N 3.45Å; E103-K127 IonicContact OE1-NZ 3.12Å; E103-K127 PolarHBondContact OE1-NZ 2.86Å; E103-K127 WeakPolarHBondContact OE2-CD 3.44Å; E103-K127 IonicContact OE2-NZ 3.37Å; E103-K127 PolarHBondContact OE2-NZ 2.93Å; W124-K127 HydrophobicContact CE3-CG 4.02Å; W124-K127 HydrophobicContact CH2-CG 4.49Å; W124-K127 HydrophobicContact CZ3-CD 4.37Å; W124-K127 HydrophobicContact CZ3-CG 3.79Å
128	L	98.6	Very high	97.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.8	173.5	72.1	163.6	0	0	0	111.6	I41 V47 G48 V50 V75 V97 T100 I101 F126 L130	I41-L128 HydrophobicContact CD1-CD2 4.4Å; V47-L128 WeakPolarHBondContact CA-O 3.34Å; G48-L128 PolarHBondContact N-O 3.14Å; G48-L128 PolarHBondContact O-N 2.82Å; V50-L128 HydrophobicContact CG2-CD2 3.47Å; V50-L128 VanDerWaalsContact CG2-CD2 3.47Å; V75-L128 HydrophobicContact CG2-CD1 4.13Å; V97-L128 HydrophobicContact CG2-CD1 3.78Å; V97-L128 HydrophobicContact CG2-CD2 4.47Å; V97-L128 HydrophobicContact CG2-CG 4.38Å; T100-L128 CarbonylContact O-C 3.53Å; T100-L128 WeakPolarHBondContact O-CA 3.43Å; T100-L128 WeakPolarHBondContact O-CB 3.39Å; I101-L128 HydrophobicContact CD1-CB 4.16Å; F126-L128 HydrophobicContact CD2-CD2 4.3Å; F126-L128 HydrophobicContact CE2-CD2 3.99Å; L128-L130 HydrophobicContact CG-CD1 4.4Å
129	R	98.5	Very high	97.3	Very high	138 Å²	138	58.8 Å²	58.8	52%	0.521	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.6	163	177.2	175.8	-74.6	143.3	6.9	108.5	D46 G99 T100 I102	D46-R129 CarbonylContact O-C 3.5Å; D46-R129 WeakPolarHBondContact O-CA 3.24Å; D46-R129 WeakPolarHBondContact OD2-CD 3.45Å; D46-R129 IonicContact OD2-CZ 3.94Å; D46-R129 IonicContact OD2-NE 2.96Å; D46-R129 PolarHBondContact OD2-NE 3.18Å; G99-R129 CarbonylContact C-O 3.57Å; G99-R129 WeakPolarHBondContact CA-O 3.39Å; T100-R129 PolarHBondContact N-O 3.13Å; T100-R129 PolarHBondContact O-N 2.89Å; I102-R129 HydrophobicContact CG2-CB 4.01Å
130	L	98.2	Very high	97.3	Very high	13 Å²	13	60 Å²	60	7%	0.068	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.4	-178.5	-78.3	72	0	0	0	110.1	D46 G48 V97 L128 L133 V136	D46-L130 WeakPolarHBondContact O-CD1 3.32Å; D46-L130 PolarHBondContact O-N 3.14Å; G48-L130 VanDerWaalsContact N-CD1 3.27Å; V97-L130 HydrophobicContact CB-CD2 4.4Å; V97-L130 HydrophobicContact CB-CG 4.39Å; V97-L130 HydrophobicContact CG1-CD2 4.38Å; V97-L130 HydrophobicContact CG2-CD1 4.18Å; V97-L130 HydrophobicContact CG2-CD2 3.93Å; V97-L130 HydrophobicContact CG2-CG 3.63Å; L128-L130 HydrophobicContact CG-CD1 4.4Å; L130-L133 HydrophobicContact CB-CD2 4.19Å; L130-L133 HydrophobicContact CD2-CD2 3.91Å; L130-V136 HydrophobicContact CD2-CG2 3.51Å
131	S	97.9	Very high	97.4	Very high	88 Å²	88	59 Å²	59	62%	0.615	30%	0.301	S	S	*	.	S	Bend	trans	-81	-24.7	172.2	60.9	0	0	0	0	112.5	S98	S98-S131 VanDerWaalsContact C-OG 3.31Å; S98-S131 WeakPolarHBondContact CB-OG 3.43Å; S98-S131 PolarHBondContact O-N 3.21Å; S98-S131 PolarHBondContact O-OG 2.88Å
132	D	97	Very high	97.4	Very high	66 Å²	66	59.7 Å²	59.7	35%	0.353	30%	0.3	S	S	.	.			trans	-145.7	106.6	178.4	179.8	4.7	0	0	0	111	S134 Q135	D132-S134 PolarHBondContact O-N 3.43Å; D132-S134 VanDerWaalsContact OD1-CB 3.22Å; D132-S134 WeakPolarHBondContact OD1-CB 3.47Å; D132-S134 PolarHBondContact OD1-N 2.9Å; D132-S134 PolarHBondContact OD1-OG 2.63Å; D132-S134 PolarHBondContact OD2-OG 3.28Å; D132-Q135 HydrophobicContact CB-CG 4Å; D132-Q135 PolarHBondContact O-N 2.87Å
133	L	95.2	Very high	97.3	Very high	96 Å²	96	59.6 Å²	59.6	50%	0.503	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-63.5	-21	178.3	-71	175.1	0	0	0	113.5	G45 L130 Q135 V136	G45-L133 WeakPolarHBondContact O-CD2 3.38Å; L130-L133 HydrophobicContact CB-CD2 4.19Å; L130-L133 HydrophobicContact CD2-CD2 3.91Å; L133-Q135 PolarHBondContact O-N 3.25Å; L133-V136 PolarHBondContact O-N 2.85Å
134	S	96.6	Very high	97.3	Very high	58 Å²	58	63.2 Å²	63.2	41%	0.406	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-69.7	-24.5	-178.3	78.8	0	0	0	0	112.6	D132 V136 K137	D132-S134 PolarHBondContact O-N 3.43Å; D132-S134 VanDerWaalsContact OD1-CB 3.22Å; D132-S134 WeakPolarHBondContact OD1-CB 3.47Å; D132-S134 PolarHBondContact OD1-N 2.9Å; D132-S134 PolarHBondContact OD1-OG 2.63Å; D132-S134 PolarHBondContact OD2-OG 3.28Å; S134-V136 PolarHBondContact O-N 3.01Å; S134-K137 WeakPolarHBondContact O-CB 3.46Å; S134-K137 WeakPolarHBondContact O-CG 3.44Å; S134-K137 PolarHBondContact O-N 2.93Å; S134-K137 VanDerWaalsContact O-N 3.12Å
135	Q	97.2	Very high	97.3	Very high	32 Å²	32	61.7 Å²	61.7	15%	0.15	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62.9	-28.2	179.6	-65.1	177.3	-18.7	0	0	112.8	V77 V97 S98 D132 L133 K137 N138	V77-Q135 VanDerWaalsContact CG2-CD 3.46Å; V77-Q135 HydrophobicContact CG2-CG 4.33Å; V97-Q135 HydrophobicContact CB-CB 4.44Å; V97-Q135 HydrophobicContact CG1-CB 4.01Å; S98-Q135 PolarHBondContact OG-NE2 3.47Å; D132-Q135 HydrophobicContact CB-CG 4Å; D132-Q135 PolarHBondContact O-N 2.87Å; L133-Q135 PolarHBondContact O-N 3.25Å; Q135-K137 PolarHBondContact O-N 3.38Å; Q135-K137 VanDerWaalsContact O-N 3.16Å; Q135-N138 WeakPolarHBondContact O-CB 3.34Å; Q135-N138 PolarHBondContact O-N 3.09Å
136	V	96.6	Very high	97.1	Very high	10 Å²	10	65.8 Å²	65.8	6%	0.061	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-58.5	-28.8	176.5	179.8	0	0	0	0	111.8	Y33 V43 V97 L130 L133 S134 N138 L139	Y33-V136 HydrophobicContact CD1-CG1 4.14Å; Y33-V136 HydrophobicContact CD2-CG1 3.41Å; Y33-V136 VanDerWaalsContact CD2-CG1 3.41Å; Y33-V136 HydrophobicContact CE1-CG1 4Å; Y33-V136 HydrophobicContact CE2-CG1 3.22Å; Y33-V136 HydrophobicContact CG-CG1 3.86Å; V43-V136 HydrophobicContact CG2-CG1 4.23Å; V43-V136 HydrophobicContact CG2-CG2 4.09Å; V97-V136 HydrophobicContact CG1-CG2 4.17Å; L130-V136 HydrophobicContact CD2-CG2 3.51Å; L133-V136 PolarHBondContact O-N 2.85Å; S134-V136 PolarHBondContact O-N 3.01Å; V136-N138 PolarHBondContact O-N 3.27Å; V136-L139 WeakPolarHBondContact O-CB 3.39Å; V136-L139 PolarHBondContact O-N 3.31Å; V136-L139 VanDerWaalsContact O-N 3.13Å
137	K	95.3	Very high	97.1	Very high	175 Å²	175	71.2 Å²	71.2	76%	0.761	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-67.1	-17.1	178.7	-60.7	177.5	-178.6	177.3	0	113.6	S134 Q135 L139	S134-K137 WeakPolarHBondContact O-CB 3.46Å; S134-K137 WeakPolarHBondContact O-CG 3.44Å; S134-K137 PolarHBondContact O-N 2.93Å; S134-K137 VanDerWaalsContact O-N 3.12Å; Q135-K137 PolarHBondContact O-N 3.38Å; Q135-K137 VanDerWaalsContact O-N 3.16Å; K137-L139 VanDerWaalsContact C-N 3.32Å
138	N	96.6	Very high	97	Very high	137 Å²	137	71 Å²	71	73%	0.733	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-87.1	-7.2	178.1	-57.8	-34.2	0	0	0	112.4	Q135 V136	Q135-N138 WeakPolarHBondContact O-CB 3.34Å; Q135-N138 PolarHBondContact O-N 3.09Å; V136-N138 PolarHBondContact O-N 3.27Å
139	L	97.7	Very high	96.9	Very high	29 Å²	29	72.4 Å²	72.4	15%	0.152	37%	0.366	C	S	.	.	S	Bend	trans	-86.9	158.9	179.3	-56.6	-179.7	0	0	0	111.2	Y33 T35 I41 P96 V97 V136 K137	Y33-L139 HydrophobicContact CD1-CB 4.44Å; Y33-L139 HydrophobicContact CG-CB 4.33Å; T35-L139 HydrophobicContact CG2-CD2 4.07Å; I41-L139 HydrophobicContact CG2-CD1 3.38Å; P96-L139 HydrophobicContact CB-CD1 4.09Å; P96-L139 HydrophobicContact CB-CD2 4.22Å; V97-L139 HydrophobicContact CG1-CD1 4.2Å; V136-L139 WeakPolarHBondContact O-CB 3.39Å; V136-L139 PolarHBondContact O-N 3.31Å; V136-L139 VanDerWaalsContact O-N 3.13Å; K137-L139 VanDerWaalsContact C-N 3.32Å
140	L	98	Very high	96.7	Very high	35 Å²	35	70.9 Å²	70.9	18%	0.183	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.7	178	-56.5	174.8	0	0	0	109.6	Y33 Y34 Q36 N144 Y145 F148	Y33-L140 CarbonylContact C-O 3.55Å; Y33-L140 VanDerWaalsContact CA-O 3.26Å; Y33-L140 WeakPolarHBondContact CA-O 3.39Å; Y34-L140 PolarHBondContact N-O 3.14Å; Y34-L140 WeakPolarHBondContact O-CB 3.26Å; Y34-L140 PolarHBondContact O-N 2.91Å; Q36-L140 HydrophobicContact CG-CD1 4.1Å; L140-N144 HydrophobicContact CB-CB 4.24Å; L140-N144 HydrophobicContact CD2-CB 4.19Å; L140-Y145 HydrophobicContact CD1-CD2 4.15Å; L140-F148 HydrophobicContact CD1-CB 4.35Å; L140-F148 HydrophobicContact CD1-CD1 4.48Å; L140-F148 HydrophobicContact CD1-CG 4.42Å
141	S	96.9	Very high	96.5	Very high	43 Å²	43	74.4 Å²	74.4	30%	0.301	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	163.5	160.2	58.1	0	0	0	0	109.9	E143 N144 Y145	S141-E143 VanDerWaalsContact C-N 3.31Å; S141-E143 PolarHBondContact O-N 3.46Å; S141-N144 PolarHBondContact O-N 3.22Å; S141-N144 VanDerWaalsContact O-N 3.07Å; S141-N144 PolarHBondContact OG-N 2.86Å; S141-N144 PolarHBondContact OG-ND2 2.96Å; S141-Y145 WeakPolarHBondContact O-CB 3.29Å; S141-Y145 PolarHBondContact O-N 3.03Å
142	E	95.4	Very high	95.9	Very high	121 Å²	121	74.8 Å²	74.8	57%	0.565	39%	0.39	S	S	*	.	H	α-helix	trans	-50	-49.7	172.7	-170.9	173.2	-165.4	0	0	112	Y34 N144 Y145 D146	Y34-E142 HydrophobicContact CE2-CB 4.01Å; Y34-E142 HydrophobicContact CE2-CG 4.26Å; E142-N144 VanDerWaalsContact C-N 3.31Å; E142-N144 PolarHBondContact O-N 2.87Å; E142-Y145 WeakPolarHBondContact O-CB 3.47Å; E142-Y145 PolarHBondContact O-N 3.16Å; E142-Y145 VanDerWaalsContact O-N 3.11Å; E142-D146 PolarHBondContact O-N 2.92Å
143	E	96.1	Very high	94.8	Very high	124 Å²	124	78.7 Å²	78.7	58%	0.579	42%	0.422	S	S	*	.	H	α-helix	trans	-58.8	-39.3	177.4	-170.4	-166.1	156.4	0	0	113.2	S141 K147	S141-E143 VanDerWaalsContact C-N 3.31Å; S141-E143 PolarHBondContact O-N 3.46Å; E143-K147 WeakPolarHBondContact O-CG 3.06Å; E143-K147 PolarHBondContact O-N 3.38Å; E143-K147 WeakPolarHBondContact OE1-CE 3.22Å; E143-K147 IonicContact OE1-NZ 2.83Å; E143-K147 PolarHBondContact OE1-NZ 3.03Å
144	N	97.4	Very high	94.8	Very high	75 Å²	75	77.8 Å²	77.8	40%	0.401	42%	0.418	S	S	.	.	H	α-helix	trans	-75.4	-31.3	179.1	-73.9	-20.7	0	0	0	111.8	L140 S141 E142 F148	L140-N144 HydrophobicContact CB-CB 4.24Å; L140-N144 HydrophobicContact CD2-CB 4.19Å; S141-N144 PolarHBondContact O-N 3.22Å; S141-N144 VanDerWaalsContact O-N 3.07Å; S141-N144 PolarHBondContact OG-N 2.86Å; S141-N144 PolarHBondContact OG-ND2 2.96Å; E142-N144 VanDerWaalsContact C-N 3.31Å; E142-N144 PolarHBondContact O-N 2.87Å; N144-F148 WeakPolarHBondContact O-CB 3.48Å; N144-F148 PolarHBondContact O-N 3.33Å
145	Y	97.2	Very high	94.7	Very high	9 Å²	9	78.8 Å²	78.8	4%	0.035	42%	0.419	C	S	.	.	H	α-helix	trans	-67.3	-43	173.7	-175.4	-113.9	0	0	0	111.4	Y34 H38 S53 L140 S141 E142 K147 F148 L149	Y34-Y145 AromaticContact CD1-CD1 3.63Å; Y34-Y145 HydrophobicContact CD1-CD1 3.63Å; Y34-Y145 HydrophobicContact CD1-CD2 4.26Å; Y34-Y145 AromaticContact CD1-CE1 3.73Å; Y34-Y145 HydrophobicContact CD1-CE1 3.73Å; Y34-Y145 HydrophobicContact CD1-CE2 4.35Å; Y34-Y145 AromaticContact CD1-CG 3.91Å; Y34-Y145 HydrophobicContact CD1-CG 3.91Å; Y34-Y145 HydrophobicContact CD2-CD1 4.19Å; Y34-Y145 HydrophobicContact CD2-CG 4.06Å; Y34-Y145 AromaticContact CE1-CD1 3.96Å; Y34-Y145 HydrophobicContact CE1-CD1 3.96Å; Y34-Y145 HydrophobicContact CE1-CE1 4.02Å; Y34-Y145 AromaticContact CG-CD1 3.76Å; Y34-Y145 HydrophobicContact CG-CD1 3.76Å; Y34-Y145 AromaticContact CG-CD2 3.99Å; Y34-Y145 HydrophobicContact CG-CD2 3.99Å; Y34-Y145 HydrophobicContact CG-CE1 4.28Å; Y34-Y145 HydrophobicContact CG-CE2 4.49Å; Y34-Y145 AromaticContact CG-CG 3.58Å; Y34-Y145 HydrophobicContact CG-CG 3.58Å; H38-Y145 VanDerWaalsContact CB-OH 3.3Å; H38-Y145 WeakPolarHBondContact CB-OH 3.48Å; H38-Y145 AromaticContact ND1-CE2 3.65Å; H38-Y145 AromaticContact ND1-CZ 3.77Å; H38-Y145 PolarHBondContact ND1-OH 3.39Å; H38-Y145 VanDerWaalsContact ND1-OH 3.08Å; S53-Y145 VanDerWaalsContact CB-OH 3.32Å; S53-Y145 WeakPolarHBondContact CB-OH 3.32Å; S53-Y145 PolarHBondContact OG-OH 3.24Å; L140-Y145 HydrophobicContact CD1-CD2 4.15Å; S141-Y145 WeakPolarHBondContact O-CB 3.29Å; S141-Y145 PolarHBondContact O-N 3.03Å; E142-Y145 WeakPolarHBondContact O-CB 3.47Å; E142-Y145 PolarHBondContact O-N 3.16Å; E142-Y145 VanDerWaalsContact O-N 3.11Å; Y145-K147 VanDerWaalsContact C-N 3.32Å; Y145-K147 PolarHBondContact O-N 3.12Å; Y145-F148 HydrophobicContact CD2-CD1 4.18Å; Y145-F148 HydrophobicContact CE2-CD1 4.23Å; Y145-F148 WeakPolarHBondContact O-CA 3.4Å; Y145-F148 WeakPolarHBondContact O-CB 3.27Å; Y145-F148 PolarHBondContact O-N 3.26Å; Y145-F148 VanDerWaalsContact O-N 3.08Å; Y145-L149 HydrophobicContact CD1-CD1 4.05Å; Y145-L149 HydrophobicContact CD1-CG 4.32Å; Y145-L149 HydrophobicContact CE1-CD1 3.62Å; Y145-L149 HydrophobicContact CE1-CD2 4.27Å; Y145-L149 HydrophobicContact CE1-CG 4.02Å; Y145-L149 HydrophobicContact CE2-CD2 4.17Å; Y145-L149 HydrophobicContact CE2-CG 4.41Å; Y145-L149 WeakPolarHBondContact O-CG 3.29Å; Y145-L149 PolarHBondContact O-N 2.86Å
146	D	96.4	Very high	94.6	Very high	86 Å²	86	81.4 Å²	81.4	46%	0.46	43%	0.434	S	S	.	.	H	α-helix	trans	-61.2	-40.4	176	-70.1	-20.5	0	0	0	112.4	E142 F148 L149 T150	E142-D146 PolarHBondContact O-N 2.92Å; D146-F148 VanDerWaalsContact C-N 3.35Å; D146-L149 PolarHBondContact O-N 3Å; D146-T150 PolarHBondContact O-N 3.12Å; D146-T150 VanDerWaalsContact O-N 3.07Å; D146-T150 PolarHBondContact O-OG1 3.31Å
147	K	97.1	Very high	94.5	Very high	115 Å²	115	85.6 Å²	85.6	50%	0.5	46%	0.455	S	S	.	.	H	α-helix	trans	-63.4	-41.6	172.7	-72.1	172.6	-170.4	163.5	0	111.7	E143 Y145 T150 S151	E143-K147 WeakPolarHBondContact O-CG 3.06Å; E143-K147 PolarHBondContact O-N 3.38Å; E143-K147 WeakPolarHBondContact OE1-CE 3.22Å; E143-K147 IonicContact OE1-NZ 2.83Å; E143-K147 PolarHBondContact OE1-NZ 3.03Å; Y145-K147 VanDerWaalsContact C-N 3.32Å; Y145-K147 PolarHBondContact O-N 3.12Å; K147-T150 PolarHBondContact O-N 2.74Å; K147-S151 PolarHBondContact O-N 3.17Å
148	F	97	Very high	94.4	Very high	40 Å²	40	80.1 Å²	80.1	18%	0.175	44%	0.436	C	S	.	.	H	α-helix	trans	-61.6	-47.1	176.4	171.5	-108.5	0	0	0	111.3	Q36 H38 L140 N144 Y145 D146 T150 S151 E152	Q36-F148 HydrophobicContact CB-CE1 4.46Å; Q36-F148 HydrophobicContact CB-CZ 4.17Å; Q36-F148 HydrophobicContact CG-CE2 4.49Å; Q36-F148 HydrophobicContact CG-CZ 4.47Å; H38-F148 AromaticContact CE1-CE1 3.57Å; L140-F148 HydrophobicContact CD1-CB 4.35Å; L140-F148 HydrophobicContact CD1-CD1 4.48Å; L140-F148 HydrophobicContact CD1-CG 4.42Å; N144-F148 WeakPolarHBondContact O-CB 3.48Å; N144-F148 PolarHBondContact O-N 3.33Å; Y145-F148 HydrophobicContact CD2-CD1 4.18Å; Y145-F148 HydrophobicContact CE2-CD1 4.23Å; Y145-F148 WeakPolarHBondContact O-CA 3.4Å; Y145-F148 WeakPolarHBondContact O-CB 3.27Å; Y145-F148 PolarHBondContact O-N 3.26Å; Y145-F148 VanDerWaalsContact O-N 3.08Å; D146-F148 VanDerWaalsContact C-N 3.35Å; F148-T150 VanDerWaalsContact C-N 3.29Å; F148-T150 PolarHBondContact O-N 2.94Å; F148-S151 PolarHBondContact O-N 2.86Å; F148-S151 PolarHBondContact O-OG 2.86Å; F148-E152 HydrophobicContact CE1-CG 4.31Å; F148-E152 HydrophobicContact CE2-CG 4.03Å; F148-E152 VanDerWaalsContact CZ-CD 3.49Å; F148-E152 HydrophobicContact CZ-CG 3.89Å; F148-E152 WeakPolarHBondContact CZ-OE1 3.11Å; F148-E152 PolarHBondContact O-N 2.97Å
149	L	96.3	Very high	94.3	Very high	31 Å²	31	76.3 Å²	76.3	16%	0.162	42%	0.417	C	S	.	.	H	α-helix	trans	-59	-39.6	176.2	-67.9	-176.1	0	0	0	112.8	Y55 Y145 D146 S151 E152 S153	Y55-L149 HydrophobicContact CD1-CD2 3.64Å; Y55-L149 HydrophobicContact CD2-CD1 4.44Å; Y55-L149 HydrophobicContact CD2-CD2 3.85Å; Y55-L149 HydrophobicContact CE1-CD2 3.9Å; Y55-L149 HydrophobicContact CE2-CD2 4.13Å; Y55-L149 HydrophobicContact CG-CD1 4.38Å; Y55-L149 HydrophobicContact CG-CD2 3.59Å; Y145-L149 HydrophobicContact CD1-CD1 4.05Å; Y145-L149 HydrophobicContact CD1-CG 4.32Å; Y145-L149 HydrophobicContact CE1-CD1 3.62Å; Y145-L149 HydrophobicContact CE1-CD2 4.27Å; Y145-L149 HydrophobicContact CE1-CG 4.02Å; Y145-L149 HydrophobicContact CE2-CD2 4.17Å; Y145-L149 HydrophobicContact CE2-CG 4.41Å; Y145-L149 WeakPolarHBondContact O-CG 3.29Å; Y145-L149 PolarHBondContact O-N 2.86Å; D146-L149 PolarHBondContact O-N 3Å; L149-S151 PolarHBondContact O-N 2.72Å; L149-E152 PolarHBondContact O-N 3.26Å; L149-S153 PolarHBondContact O-N 3.29Å; L149-S153 PolarHBondContact O-OG 3.34Å
150	T	95	Very high	94	Very high	106 Å²	106	79.6 Å²	79.6	65%	0.65	44%	0.436	S	S	*	.	H	α-helix	trans	-64.2	-28.3	176.3	-54.4	0	0	0	0	112.2	D146 K147 F148	D146-T150 PolarHBondContact O-N 3.12Å; D146-T150 VanDerWaalsContact O-N 3.07Å; D146-T150 PolarHBondContact O-OG1 3.31Å; K147-T150 PolarHBondContact O-N 2.74Å; F148-T150 VanDerWaalsContact C-N 3.29Å; F148-T150 PolarHBondContact O-N 2.94Å
151	S	93.1	Very high	93.7	Very high	87 Å²	87	83.1 Å²	83.1	61%	0.608	46%	0.455	S	S	*	.	H	α-helix	trans	-84.6	-16.5	177.8	69.1	0	0	0	0	114.6	K147 F148 L149	K147-S151 PolarHBondContact O-N 3.17Å; F148-S151 PolarHBondContact O-N 2.86Å; F148-S151 PolarHBondContact O-OG 2.86Å; L149-S151 PolarHBondContact O-N 2.72Å
152	E	85.8	Confident	93.4	Very high	96 Å²	96	86.4 Å²	86.4	45%	0.449	47%	0.468	S	S	.	.	H	α-helix	trans	-88.5	-15.7	175.7	-72	-147.6	130	0	0	113.7	H38 F148 L149	H38-E152 IonicContact CE1-OE2 2.91Å; H38-E152 PolarHBondContact CE1-OE2 3.41Å; H38-E152 IonicContact NE2-OE2 2.77Å; H38-E152 PolarHBondContact NE2-OE2 3.44Å; F148-E152 HydrophobicContact CE1-CG 4.31Å; F148-E152 HydrophobicContact CE2-CG 4.03Å; F148-E152 VanDerWaalsContact CZ-CD 3.49Å; F148-E152 HydrophobicContact CZ-CG 3.89Å; F148-E152 WeakPolarHBondContact CZ-OE1 3.11Å; F148-E152 PolarHBondContact O-N 2.97Å; L149-E152 PolarHBondContact O-N 3.26Å
153	S	74.4	Confident	93.3	Very high	147 Å²	147	83.3 Å²	83.3	100%	1.028	46%	0.459	S	S	*	.			trans	-87.2	0	177.5	-56.8	0	0	0	0	112.2	L149	L149-S153 PolarHBondContact O-N 3.29Å; L149-S153 PolarHBondContact O-OG 3.34Å

Retrieved 153 of 153 residues in 263.6 ms (Link to these results)

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