G4VL95_SCHMA Loading...

Uracil phosphoribosyltransferase homolog

AlphaFold DB , UniProt , Accession G4VL95, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 249 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	39.2	Very low	34.3	Very low	225 Å²	225	165 Å²	165	100%	1.108	84%	0.837	S	S	*	*				0	104.8	0	-66.1	-62.6	-179.4	0	0	108.1
2	P	37.8	Very low	34.1	Very low	118 Å²	118	162.2 Å²	162.2	77%	0.766	84%	0.838	S	S	*	*			trans	-78.6	130.9	178.8	0.9	16.3	0	0	0	110.2	H4	P2-H4 PolarHBondContact O-N 2.96Å; P2-H4 VanDerWaalsContact O-N 3.16Å
3	H	37.9	Very low	34	Very low	174 Å²	174	159.4 Å²	159.4	81%	0.806	84%	0.839	S	S	*	*			trans	-59.9	110.2	-178.2	-71	-84.7	0	0	0	111.6	Y5	H3-Y5 PolarHBondContact O-N 3.21Å; H3-Y5 VanDerWaalsContact O-N 3.14Å
4	H	38.4	Very low	33.9	Very low	181 Å²	181	157.4 Å²	157.4	84%	0.838	84%	0.836	S	S	*	*			trans	-69.2	102.7	168.6	-94.5	58.9	0	0	0	109.3	P2 I6	P2-H4 PolarHBondContact O-N 2.96Å; P2-H4 VanDerWaalsContact O-N 3.16Å; H4-I6 PolarHBondContact O-N 3.38Å
5	Y	33.3	Very low	34	Very low	221 Å²	221	154.4 Å²	154.4	87%	0.867	83%	0.833	S	S	*	*			trans	-71.2	109.8	163.5	-89.9	-95.8	0	0	0	108.7	H3 K7	H3-Y5 PolarHBondContact O-N 3.21Å; H3-Y5 VanDerWaalsContact O-N 3.14Å; Y5-K7 PolarHBondContact O-N 2.82Å
6	I	32.9	Very low	34.4	Very low	151 Å²	151	152.1 Å²	152.1	77%	0.774	82%	0.82	S	S	*	*			trans	-71.5	99.8	172.4	-61.4	173	0	0	0	107.5	H4 V8	H4-I6 PolarHBondContact O-N 3.38Å; I6-V8 PolarHBondContact O-N 2.87Å
7	K	31.5	Very low	35.2	Very low	198 Å²	198	153.4 Å²	153.4	86%	0.861	82%	0.819	S	S	*	*			trans	-74.4	104.9	170.2	-146.1	177.8	-171	179.9	0	107.4	Y5 K9	Y5-K7 PolarHBondContact O-N 2.82Å; K7-K9 PolarHBondContact O-N 2.87Å; K7-K9 VanDerWaalsContact O-N 3.13Å
8	V	33.2	Very low	35.8	Very low	129 Å²	129	149.2 Å²	149.2	78%	0.782	81%	0.805	S	S	*	*			trans	-63.5	112.8	174.9	-179.6	0	0	0	0	108.1	I6 S10	I6-V8 PolarHBondContact O-N 2.87Å; V8-S10 PolarHBondContact O-N 3.03Å
9	K	30.3	Very low	36.6	Very low	197 Å²	197	143.4 Å²	143.4	86%	0.857	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-70.2	118.1	168.9	-83.4	-179.5	172.6	179.7	0	108.2	K7	K7-K9 PolarHBondContact O-N 2.87Å; K7-K9 VanDerWaalsContact O-N 3.13Å
10	S	33.1	Very low	37.7	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-73.9	122.5	163.4	49.2	0	0	0	0	109.1	V8	V8-S10 PolarHBondContact O-N 3.03Å
11	S	30.1	Very low	38.7	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-68.1	146.7	171.9	-60.6	0	0	0	0	110.6	C13	S11-C13 PolarHBondContact O-N 3.04Å
12	P	32.1	Very low	39.9	Very low	131 Å²	131	134.3 Å²	134.3	85%	0.851	73%	0.733	S	S	*	*			trans	-74.3	113.6	178.2	15.7	-5.9	0	0	0	109.5
13	C	32	Very low	41.4	Very low	126 Å²	126	132.9 Å²	132.9	85%	0.851	72%	0.718	S	S	*	*			trans	-71.5	132.3	167.5	-74.9	0	0	0	0	109.3	S11 S15	S11-C13 PolarHBondContact O-N 3.04Å; C13-S15 PolarHBondContact O-N 2.95Å
14	V	33.5	Very low	43	Very low	131 Å²	131	130.6 Å²	130.6	79%	0.794	71%	0.706	S	S	*	*			trans	-52.1	126.2	173.1	178.3	0	0	0	0	109.1	D16	V14-D16 PolarHBondContact O-N 2.83Å; V14-D16 VanDerWaalsContact O-N 3.11Å
15	S	35.1	Very low	44.4	Very low	113 Å²	113	126.5 Å²	126.5	79%	0.79	69%	0.69	S	S	*	*			trans	-75.1	92.4	-178.3	48.3	0	0	0	0	110.5	C13	C13-S15 PolarHBondContact O-N 2.95Å
16	D	40.6	Very low	46.2	Very low	117 Å²	117	122.4 Å²	122.4	63%	0.626	68%	0.677	S	S	*	*			trans	-77.9	124.2	160.3	-83.5	-19.7	0	0	0	108.5	V14 S18 G19	V14-D16 PolarHBondContact O-N 2.83Å; V14-D16 VanDerWaalsContact O-N 3.11Å; D16-S18 PolarHBondContact O-N 3.07Å; D16-S18 VanDerWaalsContact O-N 3.13Å; D16-G19 WeakPolarHBondContact O-CA 3.46Å; D16-G19 PolarHBondContact O-N 3.33Å
17	E	47.5	Very low	48	Very low	174 Å²	174	120 Å²	120	81%	0.813	66%	0.662	S	S	*	*	H	α-helix	trans	-58.2	-27.5	-179.7	-70	-175.7	153.2	0	0	112.6	G19 N20 E21	E17-G19 VanDerWaalsContact C-N 3.27Å; E17-G19 PolarHBondContact O-N 2.83Å; E17-N20 WeakPolarHBondContact O-CB 3.5Å; E17-N20 PolarHBondContact O-N 2.88Å; E17-N20 VanDerWaalsContact O-N 3.12Å; E17-E21 PolarHBondContact O-N 3.44Å
18	S	46.6	Very low	50	Low	79 Å²	79	115.3 Å²	115.3	55%	0.552	65%	0.646	S	S	*	*	H	α-helix	trans	-66	-27.3	172.9	67.9	0	0	0	0	113.3	D16 N20 N22	D16-S18 PolarHBondContact O-N 3.07Å; D16-S18 VanDerWaalsContact O-N 3.13Å; S18-N20 VanDerWaalsContact C-N 3.34Å; S18-N22 PolarHBondContact O-N 2.91Å
19	G	50.6	Low	51.6	Low	39 Å²	39	114.4 Å²	114.4	40%	0.402	63%	0.633	S	S	.	*	H	α-helix	trans	-69.9	-32.8	172.4	0	0	0	0	0	112.2	D16 E17 L23	D16-G19 WeakPolarHBondContact O-CA 3.46Å; D16-G19 PolarHBondContact O-N 3.33Å; E17-G19 VanDerWaalsContact C-N 3.27Å; E17-G19 PolarHBondContact O-N 2.83Å; G19-L23 VanDerWaalsContact O-CB 3.29Å; G19-L23 WeakPolarHBondContact O-CB 3.47Å; G19-L23 PolarHBondContact O-N 2.82Å
20	N	57.7	Low	53.5	Low	84 Å²	84	107.7 Å²	107.7	45%	0.449	61%	0.611	S	S	.	*	H	α-helix	trans	-72.3	-41	-179.1	-164.8	11.8	0	0	0	111.9	E17 S18 L23 K24	E17-N20 WeakPolarHBondContact O-CB 3.5Å; E17-N20 PolarHBondContact O-N 2.88Å; E17-N20 VanDerWaalsContact O-N 3.12Å; S18-N20 VanDerWaalsContact C-N 3.34Å; N20-L23 PolarHBondContact O-N 2.9Å; N20-K24 WeakPolarHBondContact O-CB 3.45Å; N20-K24 WeakPolarHBondContact O-CG 3.48Å; N20-K24 PolarHBondContact O-N 3.13Å
21	E	60	Low	55.6	Low	141 Å²	141	104.9 Å²	104.9	66%	0.659	59%	0.591	S	S	*	*	H	α-helix	trans	-64	-44.9	174.5	-68.4	-168	155.3	0	0	111.7	E17 L23 K24 L25	E17-E21 PolarHBondContact O-N 3.44Å; E21-L23 VanDerWaalsContact C-N 3.29Å; E21-L23 PolarHBondContact O-N 3.22Å; E21-K24 PolarHBondContact O-N 3Å; E21-L25 WeakPolarHBondContact O-CB 3.14Å; E21-L25 VanDerWaalsContact O-CG 3.27Å; E21-L25 WeakPolarHBondContact O-CG 3.13Å; E21-L25 PolarHBondContact O-N 3.43Å
22	N	62.9	Low	57.7	Low	96 Å²	96	104.1 Å²	104.1	51%	0.513	58%	0.578	S	S	.	*	H	α-helix	trans	-62.7	-36	175.2	-90.2	-39.6	0	0	0	112.6	S18 K26	S18-N22 PolarHBondContact O-N 2.91Å; N22-K26 WeakPolarHBondContact O-CB 3.32Å; N22-K26 VanDerWaalsContact O-CG 3.23Å; N22-K26 WeakPolarHBondContact O-CG 3.34Å; N22-K26 PolarHBondContact O-N 3.44Å
23	L	70	Confident	60.1	Low	87 Å²	87	100.3 Å²	100.3	46%	0.455	55%	0.549	S	S	.	.	H	α-helix	trans	-67	-48.7	175.3	-176.1	64.1	0	0	0	111	G19 N20 E21 L25 K26 E27	G19-L23 VanDerWaalsContact O-CB 3.29Å; G19-L23 WeakPolarHBondContact O-CB 3.47Å; G19-L23 PolarHBondContact O-N 2.82Å; N20-L23 PolarHBondContact O-N 2.9Å; E21-L23 VanDerWaalsContact C-N 3.29Å; E21-L23 PolarHBondContact O-N 3.22Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 3.23Å; L23-K26 WeakPolarHBondContact O-CB 3.25Å; L23-K26 PolarHBondContact O-N 3.41Å; L23-K26 VanDerWaalsContact O-N 3.12Å; L23-E27 HydrophobicContact CD1-CG 4.49Å; L23-E27 HydrophobicContact CG-CG 4.49Å; L23-E27 WeakPolarHBondContact O-CB 3.48Å; L23-E27 WeakPolarHBondContact O-CG 3.48Å; L23-E27 PolarHBondContact O-N 3.2Å
24	K	72.7	Confident	62.4	Low	126 Å²	126	98.9 Å²	98.9	55%	0.548	53%	0.533	S	S	.	.	H	α-helix	trans	-58.3	-41	175.7	-76.9	178	180	177.6	0	112.3	N20 E21 E27 L28	N20-K24 WeakPolarHBondContact O-CB 3.45Å; N20-K24 WeakPolarHBondContact O-CG 3.48Å; N20-K24 PolarHBondContact O-N 3.13Å; E21-K24 PolarHBondContact O-N 3Å; K24-E27 PolarHBondContact O-N 2.85Å; K24-L28 WeakPolarHBondContact O-CB 3.24Å; K24-L28 PolarHBondContact O-N 3.09Å
25	L	66.9	Low	64.9	Low	95 Å²	95	97.3 Å²	97.3	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-65.1	-41.7	176	-72.5	172	0	0	0	111.7	E21 L23 L28 Q29	E21-L25 WeakPolarHBondContact O-CB 3.14Å; E21-L25 VanDerWaalsContact O-CG 3.27Å; E21-L25 WeakPolarHBondContact O-CG 3.13Å; E21-L25 PolarHBondContact O-N 3.43Å; L23-L25 VanDerWaalsContact C-N 3.3Å; L23-L25 PolarHBondContact O-N 3.23Å; L25-L28 PolarHBondContact O-N 3.03Å; L25-Q29 VanDerWaalsContact O-CB 3.31Å; L25-Q29 WeakPolarHBondContact O-CB 3.45Å; L25-Q29 WeakPolarHBondContact O-CG 2.98Å; L25-Q29 PolarHBondContact O-N 3.46Å
26	K	71.3	Confident	67.4	Low	136 Å²	136	95 Å²	95	59%	0.591	50%	0.496	S	S	*	.	H	α-helix	trans	-65.3	-42.1	175.3	-75.7	171.6	-178.7	178.2	0	112.1	N22 L23 Q29 S30	N22-K26 WeakPolarHBondContact O-CB 3.32Å; N22-K26 VanDerWaalsContact O-CG 3.23Å; N22-K26 WeakPolarHBondContact O-CG 3.34Å; N22-K26 PolarHBondContact O-N 3.44Å; L23-K26 WeakPolarHBondContact O-CB 3.25Å; L23-K26 PolarHBondContact O-N 3.41Å; L23-K26 VanDerWaalsContact O-N 3.12Å; K26-Q29 PolarHBondContact O-N 2.92Å; K26-S30 WeakPolarHBondContact O-CB 3.01Å; K26-S30 PolarHBondContact O-N 2.97Å; K26-S30 PolarHBondContact O-OG 3.23Å
27	E	71.5	Confident	69.8	Low	100 Å²	100	90.4 Å²	90.4	47%	0.467	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-45.1	175.7	-73.7	175.7	177.1	0	0	111	L23 K24 S30 S31	L23-E27 HydrophobicContact CD1-CG 4.49Å; L23-E27 HydrophobicContact CG-CG 4.49Å; L23-E27 WeakPolarHBondContact O-CB 3.48Å; L23-E27 WeakPolarHBondContact O-CG 3.48Å; L23-E27 PolarHBondContact O-N 3.2Å; K24-E27 PolarHBondContact O-N 2.85Å; E27-S30 PolarHBondContact O-N 3.04Å; E27-S30 PolarHBondContact O-OG 2.83Å; E27-S31 WeakPolarHBondContact O-CB 3.21Å; E27-S31 PolarHBondContact O-N 3.44Å; E27-S31 PolarHBondContact O-OG 3.07Å
28	L	71.4	Confident	71.9	Confident	100 Å²	100	86.7 Å²	86.7	52%	0.524	46%	0.458	S	S	.	.	H	α-helix	trans	-62.3	-45.3	175.7	-177.2	64	0	0	0	111.5	K24 L25 S31 I32	K24-L28 WeakPolarHBondContact O-CB 3.24Å; K24-L28 PolarHBondContact O-N 3.09Å; L25-L28 PolarHBondContact O-N 3.03Å; L28-S31 WeakPolarHBondContact O-CB 3.44Å; L28-S31 PolarHBondContact O-N 3.09Å; L28-I32 HydrophobicContact CD1-CD1 4.31Å; L28-I32 HydrophobicContact CG-CD1 3.97Å; L28-I32 VanDerWaalsContact O-CG1 3.25Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.03Å
29	Q	67.7	Low	74	Confident	109 Å²	109	87.6 Å²	87.6	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-60.5	-45.7	175.2	-77.1	172.9	-20.7	0	0	111.4	L25 K26 S31 I32 H33	L25-Q29 VanDerWaalsContact O-CB 3.31Å; L25-Q29 WeakPolarHBondContact O-CB 3.45Å; L25-Q29 WeakPolarHBondContact O-CG 2.98Å; L25-Q29 PolarHBondContact O-N 3.46Å; K26-Q29 PolarHBondContact O-N 2.92Å; Q29-S31 VanDerWaalsContact C-N 3.29Å; Q29-S31 PolarHBondContact O-N 3.44Å; Q29-I32 PolarHBondContact O-N 3.07Å; Q29-H33 WeakPolarHBondContact O-CB 3.33Å; Q29-H33 PolarHBondContact O-CD2 3.23Å; Q29-H33 PolarHBondContact O-N 2.96Å
30	S	71.2	Confident	76.1	Confident	56 Å²	56	85.9 Å²	85.9	39%	0.392	44%	0.438	S	S	.	.	H	α-helix	trans	-61.7	-38.7	176.6	75.9	0	0	0	0	112	K26 E27 H33 N34	K26-S30 WeakPolarHBondContact O-CB 3.01Å; K26-S30 PolarHBondContact O-N 2.97Å; K26-S30 PolarHBondContact O-OG 3.23Å; E27-S30 PolarHBondContact O-N 3.04Å; E27-S30 PolarHBondContact O-OG 2.83Å; S30-H33 PolarHBondContact O-N 2.94Å; S30-N34 PolarHBondContact O-N 3.36Å; S30-N34 PolarHBondContact O-ND2 3.23Å
31	S	75.8	Confident	77.8	Confident	57 Å²	57	84.1 Å²	84.1	40%	0.399	43%	0.428	S	S	.	.	H	α-helix	trans	-66.3	-44.3	176.8	-58.4	0	0	0	0	111.4	E27 L28 Q29 H33 N34 I35	E27-S31 WeakPolarHBondContact O-CB 3.21Å; E27-S31 PolarHBondContact O-N 3.44Å; E27-S31 PolarHBondContact O-OG 3.07Å; L28-S31 WeakPolarHBondContact O-CB 3.44Å; L28-S31 PolarHBondContact O-N 3.09Å; Q29-S31 VanDerWaalsContact C-N 3.29Å; Q29-S31 PolarHBondContact O-N 3.44Å; S31-H33 VanDerWaalsContact C-N 3.33Å; S31-H33 PolarHBondContact O-N 3.17Å; S31-N34 PolarHBondContact O-N 3.27Å; S31-I35 WeakPolarHBondContact O-CD1 3.46Å; S31-I35 VanDerWaalsContact O-CG1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å; S31-I35 PolarHBondContact O-N 2.82Å
32	I	75	Confident	79.5	Confident	90 Å²	90	81.4 Å²	81.4	46%	0.462	43%	0.425	S	S	.	.	H	α-helix	trans	-61.7	-42.6	175.1	-68.7	165.5	0	0	0	110.8	L28 Q29 I35 E36	L28-I32 HydrophobicContact CD1-CD1 4.31Å; L28-I32 HydrophobicContact CG-CD1 3.97Å; L28-I32 VanDerWaalsContact O-CG1 3.25Å; L28-I32 WeakPolarHBondContact O-CG1 3.5Å; L28-I32 PolarHBondContact O-N 3.03Å; Q29-I32 PolarHBondContact O-N 3.07Å; I32-I35 PolarHBondContact O-N 2.85Å; I32-E36 PolarHBondContact O-N 3.3Å
33	H	81.5	Confident	81	Confident	50 Å²	50	83.9 Å²	83.9	23%	0.231	43%	0.431	C	S	.	.	H	α-helix	trans	-63.5	-42.6	178.5	-68.3	-27.9	0	0	0	112.2	Q29 S30 S31 I35 E36 V37 P235	Q29-H33 WeakPolarHBondContact O-CB 3.33Å; Q29-H33 PolarHBondContact O-CD2 3.23Å; Q29-H33 PolarHBondContact O-N 2.96Å; S30-H33 PolarHBondContact O-N 2.94Å; S31-H33 VanDerWaalsContact C-N 3.33Å; S31-H33 PolarHBondContact O-N 3.17Å; H33-I35 VanDerWaalsContact C-N 3.35Å; H33-I35 PolarHBondContact O-N 3.21Å; H33-E36 PolarHBondContact O-N 3.31Å; H33-V37 WeakPolarHBondContact O-CG2 3.43Å; H33-V37 PolarHBondContact O-N 3.29Å; H33-V37 VanDerWaalsContact O-N 3.08Å; H33-P235 HydrophobicContact CB-CG 3.86Å; H33-P235 WeakPolarHBondContact ND1-CG 3.22Å
34	N	81.2	Confident	82.3	Confident	97 Å²	97	80.6 Å²	80.6	52%	0.519	41%	0.413	S	S	.	.	H	α-helix	trans	-61.7	-44.1	175.5	-67.4	-24.5	0	0	0	111.1	S30 S31 E36 V37 D38	S30-N34 PolarHBondContact O-N 3.36Å; S30-N34 PolarHBondContact O-ND2 3.23Å; S31-N34 PolarHBondContact O-N 3.27Å; N34-E36 VanDerWaalsContact C-N 3.34Å; N34-E36 PolarHBondContact O-N 2.92Å; N34-V37 PolarHBondContact O-N 3.45Å; N34-D38 WeakPolarHBondContact O-CB 3.47Å; N34-D38 VanDerWaalsContact O-CG 3.23Å; N34-D38 PolarHBondContact O-N 3.14Å
35	I	84.9	Confident	83.2	Confident	98 Å²	98	78 Å²	78	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-59.6	-43	176.6	-67.4	163.1	0	0	0	111.5	S31 I32 H33 D38 N39	S31-I35 WeakPolarHBondContact O-CD1 3.46Å; S31-I35 VanDerWaalsContact O-CG1 3.26Å; S31-I35 WeakPolarHBondContact O-CG1 3.32Å; S31-I35 PolarHBondContact O-N 2.82Å; I32-I35 PolarHBondContact O-N 2.85Å; H33-I35 VanDerWaalsContact C-N 3.35Å; H33-I35 PolarHBondContact O-N 3.21Å; I35-D38 PolarHBondContact O-N 3.16Å; I35-N39 WeakPolarHBondContact O-CB 3.24Å; I35-N39 PolarHBondContact O-N 3.25Å; I35-N39 PolarHBondContact O-ND2 3Å; I35-N39 VanDerWaalsContact O-ND2 3.13Å
36	E	87.7	Confident	84.6	Confident	63 Å²	63	82.3 Å²	82.3	29%	0.294	43%	0.425	S	S	.	.	H	α-helix	trans	-64.3	-42.1	179.4	-164.1	-174.6	172.5	0	0	111.8	I32 H33 N34 N39 V40 P213	I32-E36 PolarHBondContact O-N 3.3Å; H33-E36 PolarHBondContact O-N 3.31Å; N34-E36 VanDerWaalsContact C-N 3.34Å; N34-E36 PolarHBondContact O-N 2.92Å; E36-N39 PolarHBondContact O-N 3.22Å; E36-V40 WeakPolarHBondContact O-CG2 3.33Å; E36-V40 PolarHBondContact O-N 2.82Å; E36-V40 VanDerWaalsContact O-N 3.11Å; E36-P213 HydrophobicContact CB-CG 4.47Å; E36-P213 HydrophobicContact CG-CB 3.7Å; E36-P213 HydrophobicContact CG-CG 4.02Å; E36-P213 WeakPolarHBondContact OE1-CB 3.35Å
37	V	91.6	Very high	85.8	Confident	21 Å²	21	78.6 Å²	78.6	13%	0.127	41%	0.41	C	S	.	.	H	α-helix	trans	-65	-46.3	176.7	175.5	0	0	0	0	110.8	H33 N34 N39 V40 L41 P213 I233	H33-V37 WeakPolarHBondContact O-CG2 3.43Å; H33-V37 PolarHBondContact O-N 3.29Å; H33-V37 VanDerWaalsContact O-N 3.08Å; N34-V37 PolarHBondContact O-N 3.45Å; V37-N39 VanDerWaalsContact C-N 3.3Å; V37-N39 PolarHBondContact O-N 2.87Å; V37-V40 PolarHBondContact O-N 2.93Å; V37-V40 VanDerWaalsContact O-N 3.12Å; V37-L41 HydrophobicContact CG1-CD1 3.89Å; V37-L41 HydrophobicContact CG1-CG 4.29Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 2.97Å; V37-P213 HydrophobicContact CG2-CG 3.98Å; V37-I233 HydrophobicContact CG1-CB 4.26Å; V37-I233 HydrophobicContact CG1-CG2 4.39Å; V37-I233 HydrophobicContact CG2-CG2 4.23Å; V37-I233 WeakPolarHBondContact CG2-O 3.19Å
38	D	91.3	Very high	87.1	Confident	97 Å²	97	74.6 Å²	74.6	52%	0.519	39%	0.392	S	S	.	.	H	α-helix	trans	-61.9	-37.9	178.5	-70.3	-22.9	0	0	0	111.9	N34 I35 L41 S42	N34-D38 WeakPolarHBondContact O-CB 3.47Å; N34-D38 VanDerWaalsContact O-CG 3.23Å; N34-D38 PolarHBondContact O-N 3.14Å; I35-D38 PolarHBondContact O-N 3.16Å; D38-L41 PolarHBondContact O-N 2.65Å; D38-S42 VanDerWaalsContact O-CB 3.29Å; D38-S42 WeakPolarHBondContact O-CB 3.42Å; D38-S42 PolarHBondContact O-N 2.73Å; D38-S42 PolarHBondContact O-OG 2.74Å
39	N	92.2	Very high	88.4	Confident	97 Å²	97	71.6 Å²	71.6	52%	0.519	38%	0.376	S	S	.	.	H	α-helix	trans	-64.5	-39.8	174.4	-75.1	-26.8	0	0	0	112.3	I35 E36 V37 S42 K43	I35-N39 WeakPolarHBondContact O-CB 3.24Å; I35-N39 PolarHBondContact O-N 3.25Å; I35-N39 PolarHBondContact O-ND2 3Å; I35-N39 VanDerWaalsContact O-ND2 3.13Å; E36-N39 PolarHBondContact O-N 3.22Å; V37-N39 VanDerWaalsContact C-N 3.3Å; V37-N39 PolarHBondContact O-N 2.87Å; N39-S42 WeakPolarHBondContact CA-OG 3.34Å; N39-S42 PolarHBondContact O-OG 2.88Å; N39-K43 WeakPolarHBondContact O-CB 3.4Å; N39-K43 PolarHBondContact O-N 3.16Å; N39-K43 VanDerWaalsContact O-N 3.12Å
40	V	94.1	Very high	89.8	Confident	3 Å²	3	69.4 Å²	69.4	2%	0.018	37%	0.367	C	S	.	.	H	α-helix	trans	-68.3	-46.5	176	169.7	0	0	0	0	111.1	E36 V37 K43 F44 I48 P213 V216 I217 I233	E36-V40 WeakPolarHBondContact O-CG2 3.33Å; E36-V40 PolarHBondContact O-N 2.82Å; E36-V40 VanDerWaalsContact O-N 3.11Å; V37-V40 PolarHBondContact O-N 2.93Å; V37-V40 VanDerWaalsContact O-N 3.12Å; V40-K43 PolarHBondContact O-N 3.3Å; V40-F44 HydrophobicContact CG1-CD2 4.27Å; V40-F44 WeakPolarHBondContact O-CB 3.32Å; V40-F44 PolarHBondContact O-N 3.15Å; V40-I48 HydrophobicContact CG1-CD1 3.88Å; V40-P213 HydrophobicContact CG2-CB 3.69Å; V40-V216 HydrophobicContact CG1-CB 3.93Å; V40-V216 HydrophobicContact CG1-CG1 3.51Å; V40-I217 HydrophobicContact CG2-CD1 3.68Å; V40-I217 HydrophobicContact CG2-CG1 3.63Å; V40-I233 HydrophobicContact CG1-CD1 4.35Å
41	L	93.9	Very high	91.1	Very high	48 Å²	48	67.2 Å²	67.2	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-43	-179.9	-70.3	176.8	0	0	0	111.6	V37 D38 S45 I48 I233	V37-L41 HydrophobicContact CG1-CD1 3.89Å; V37-L41 HydrophobicContact CG1-CG 4.29Å; V37-L41 WeakPolarHBondContact O-CG 3.36Å; V37-L41 PolarHBondContact O-N 2.97Å; D38-L41 PolarHBondContact O-N 2.65Å; L41-S45 WeakPolarHBondContact O-CA 3.45Å; L41-S45 WeakPolarHBondContact O-CB 3.39Å; L41-S45 PolarHBondContact O-N 3.04Å; L41-I48 HydrophobicContact CD2-CD1 4.38Å; L41-I48 HydrophobicContact CD2-CG2 4.11Å; L41-I233 HydrophobicContact CD2-CD1 3.85Å
42	S	94.2	Very high	92.1	Very high	84 Å²	84	69.4 Å²	69.4	59%	0.587	36%	0.364	S	S	*	.	H	α-helix	trans	-62.1	-45.4	175.9	56.2	0	0	0	0	111.8	D38 N39	D38-S42 VanDerWaalsContact O-CB 3.29Å; D38-S42 WeakPolarHBondContact O-CB 3.42Å; D38-S42 PolarHBondContact O-N 2.73Å; D38-S42 PolarHBondContact O-OG 2.74Å; N39-S42 WeakPolarHBondContact CA-OG 3.34Å; N39-S42 PolarHBondContact O-OG 2.88Å
43	K	95	Very high	93	Very high	147 Å²	147	68.5 Å²	68.5	64%	0.639	36%	0.358	S	S	*	.	H	α-helix	trans	-69.8	-36	-178	-173.7	170.9	-179.9	177.3	0	113.7	N39 V40	N39-K43 WeakPolarHBondContact O-CB 3.4Å; N39-K43 PolarHBondContact O-N 3.16Å; N39-K43 VanDerWaalsContact O-N 3.12Å; V40-K43 PolarHBondContact O-N 3.3Å
44	F	96.2	Very high	93.8	Very high	19 Å²	19	68.9 Å²	68.9	8%	0.083	37%	0.366	C	S	.	.	H	α-helix	trans	-121.5	15.7	-170.4	-63.6	-72.1	0	0	0	114.2	V40 K46 H47 I48 I217 L220	V40-F44 HydrophobicContact CG1-CD2 4.27Å; V40-F44 WeakPolarHBondContact O-CB 3.32Å; V40-F44 PolarHBondContact O-N 3.15Å; F44-K46 PolarHBondContact O-N 3.09Å; F44-H47 PolarHBondContact O-N 3.42Å; F44-I48 HydrophobicContact CB-CD1 3.59Å; F44-I48 HydrophobicContact CB-CG1 4.12Å; F44-I48 PolarHBondContact O-N 3.27Å; F44-I217 HydrophobicContact CE2-CB 4.44Å; F44-I217 HydrophobicContact CE2-CG1 4.06Å; F44-L220 HydrophobicContact CB-CD1 3.59Å; F44-L220 HydrophobicContact CD1-CB 3.65Å; F44-L220 HydrophobicContact CD1-CD1 3.74Å; F44-L220 HydrophobicContact CD1-CG 4.35Å; F44-L220 HydrophobicContact CD2-CD1 4.41Å; F44-L220 HydrophobicContact CE1-CB 3.62Å; F44-L220 HydrophobicContact CG-CB 4.26Å; F44-L220 HydrophobicContact CG-CD1 3.67Å; F44-L220 HydrophobicContact CZ-CB 4.2Å
45	S	93.2	Very high	94.6	Very high	71 Å²	71	69.5 Å²	69.5	50%	0.497	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-45	-41.1	-176.2	46.8	0	0	0	0	114.7	L41 H47	L41-S45 WeakPolarHBondContact O-CA 3.45Å; L41-S45 WeakPolarHBondContact O-CB 3.39Å; L41-S45 PolarHBondContact O-N 3.04Å; S45-H47 PolarHBondContact O-N 2.89Å
46	K	95.1	Very high	95.2	Very high	185 Å²	185	69.9 Å²	69.9	80%	0.804	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-69.4	-17.4	-178.8	-61.3	-177.1	-177.9	178.6	0	114.4	F44	F44-K46 PolarHBondContact O-N 3.09Å
47	H	97.7	Very high	95.7	Very high	58 Å²	58	67.1 Å²	67.1	27%	0.269	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-112.2	-5.7	-173.4	-61.1	-71.6	0	0	0	112.6	F44 S45 L220 P224 L226 R227 I228	F44-H47 PolarHBondContact O-N 3.42Å; S45-H47 PolarHBondContact O-N 2.89Å; H47-L220 HydrophobicContact CB-CD1 4.05Å; H47-L220 HydrophobicContact CB-CD2 4.09Å; H47-P224 PolarHBondContact CE1-O 3.08Å; H47-P224 PolarHBondContact ND1-O 3.44Å; H47-P224 VanDerWaalsContact ND1-O 3.11Å; H47-P224 PolarHBondContact NE2-O 3.23Å; H47-L226 WeakPolarHBondContact CB-O 3.46Å; H47-R227 CarbonylContact O-C 3.56Å; H47-R227 WeakPolarHBondContact O-CA 3.23Å; H47-I228 PolarHBondContact O-N 2.77Å
48	I	98.3	Very high	96	Very high	16 Å²	16	71.6 Å²	71.6	8%	0.082	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.7	-178.3	-60.6	170.2	0	0	0	108.4	V40 L41 F44 V216 L220 I228 I233	V40-I48 HydrophobicContact CG1-CD1 3.88Å; L41-I48 HydrophobicContact CD2-CD1 4.38Å; L41-I48 HydrophobicContact CD2-CG2 4.11Å; F44-I48 HydrophobicContact CB-CD1 3.59Å; F44-I48 HydrophobicContact CB-CG1 4.12Å; F44-I48 PolarHBondContact O-N 3.27Å; I48-V216 HydrophobicContact CD1-CG1 3.56Å; I48-V216 HydrophobicContact CG1-CG1 4.2Å; I48-L220 HydrophobicContact CD1-CD1 4.15Å; I48-L220 HydrophobicContact CG1-CD1 3.86Å; I48-I228 WeakPolarHBondContact CA-O 3.31Å; I48-I233 HydrophobicContact CD1-CD1 4.17Å; I48-I233 HydrophobicContact CG2-CD1 4.03Å
49	I	98.5	Very high	96.4	Very high	37 Å²	37	70.8 Å²	70.8	19%	0.19	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	104.5	170.9	-57.5	177.3	0	0	0	105.9	E88 Q92 I228 V229 T230	I49-E88 HydrophobicContact CG2-CG 3.77Å; I49-Q92 HydrophobicContact CD1-CG 3.63Å; I49-Q92 VanDerWaalsContact CD1-OE1 3.28Å; I49-I228 PolarHBondContact N-O 3.25Å; I49-V229 HydrophobicContact CB-CG2 4.17Å; I49-V229 HydrophobicContact CD1-CG2 4.31Å; I49-V229 WeakPolarHBondContact O-CA 3.41Å; I49-T230 PolarHBondContact O-N 2.81Å
50	L	98.1	Very high	96.7	Very high	63 Å²	63	66.2 Å²	66.2	33%	0.33	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129.3	176.2	-175.1	64.4	0	0	0	108.4	T230	L50-T230 WeakPolarHBondContact CA-O 3.49Å; L50-T230 HydrophobicContact CD1-CG2 3.82Å
51	L	98.4	Very high	96.9	Very high	10 Å²	10	66.5 Å²	66.5	5%	0.052	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-58.6	144.4	174	-65.4	-169.5	0	0	0	110.9	Q53 L84 V85 E88 T230	L51-Q53 PolarHBondContact O-N 3.02Å; L51-Q53 PolarHBondContact O-NE2 2.82Å; L51-L84 HydrophobicContact CD1-CB 3.81Å; L51-V85 HydrophobicContact CD1-CG2 3.61Å; L51-V85 HydrophobicContact CG-CG2 4.28Å; L51-E88 HydrophobicContact CD2-CB 3.47Å; L51-E88 VanDerWaalsContact CD2-CB 3.47Å; L51-E88 HydrophobicContact CD2-CG 3.68Å; L51-T230 PolarHBondContact N-O 2.87Å
52	P	96.5	Very high	97.1	Very high	103 Å²	103	68.6 Å²	68.6	67%	0.669	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-54.8	127.9	171	-24.3	33.8	0	0	0	111	S54	P52-S54 PolarHBondContact O-N 3.27Å
53	Q	94.5	Very high	97.3	Very high	72 Å²	72	66.1 Å²	66.1	34%	0.336	34%	0.342	S	S	.	.			trans	-77.8	57.1	-179	-64.1	-55.6	-64.3	0	0	112.2	L51 R58 S231	L51-Q53 PolarHBondContact O-N 3.02Å; L51-Q53 PolarHBondContact O-NE2 2.82Å; Q53-R58 PolarHBondContact O-NH1 3.23Å; Q53-S231 PolarHBondContact NE2-O 3.23Å
54	S	96.9	Very high	97.4	Very high	57 Å²	57	59.5 Å²	59.5	40%	0.399	31%	0.314	S	S	.	.			trans	-60.9	155.8	172.5	68.2	0	0	0	0	111.3	P52 H56 V57 R58	P52-S54 PolarHBondContact O-N 3.27Å; S54-H56 PolarHBondContact O-N 3.29Å; S54-V57 PolarHBondContact O-N 3.47Å; S54-V57 VanDerWaalsContact O-N 3.09Å; S54-V57 WeakPolarHBondContact OG-CG2 3.39Å; S54-V57 PolarHBondContact OG-N 2.97Å; S54-R58 PolarHBondContact O-N 3.48Å; S54-R58 VanDerWaalsContact O-N 3.08Å
55	D	98	Very high	97.5	Very high	110 Å²	110	62.3 Å²	62.3	59%	0.588	32%	0.324	S	S	*	.	H	α-helix	trans	-55.5	-36.6	177.6	-63.9	-6.5	0	0	0	111.6	R58 V59	D55-R58 PolarHBondContact O-N 2.97Å; D55-R58 IonicContact OD1-CZ 3.4Å; D55-R58 IonicContact OD1-NH1 3.28Å; D55-R58 PolarHBondContact OD1-NH1 3.1Å; D55-R58 IonicContact OD1-NH2 2.69Å; D55-R58 PolarHBondContact OD1-NH2 3.44Å; D55-V59 VanDerWaalsContact O-CG2 3.32Å; D55-V59 WeakPolarHBondContact O-CG2 3.41Å; D55-V59 PolarHBondContact O-N 3.3Å
56	H	98.1	Very high	97.7	Very high	106 Å²	106	62.5 Å²	62.5	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-48	176.3	-173.9	56.6	0	0	0	112.4	S54 R58 V59 L60	S54-H56 PolarHBondContact O-N 3.29Å; H56-R58 VanDerWaalsContact C-N 3.27Å; H56-R58 PolarHBondContact O-N 3.43Å; H56-V59 WeakPolarHBondContact O-CB 3.42Å; H56-V59 PolarHBondContact O-N 2.98Å; H56-V59 VanDerWaalsContact O-N 3.1Å; H56-L60 WeakPolarHBondContact O-CG 3.5Å; H56-L60 PolarHBondContact O-N 3Å
57	V	98.5	Very high	97.6	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.036	31%	0.312	C	S	.	.	H	α-helix	trans	-56.9	-43.6	176.3	168.9	0	0	0	0	110.7	S54 V59 L60 Q61 L81 L84	S54-V57 PolarHBondContact O-N 3.47Å; S54-V57 VanDerWaalsContact O-N 3.09Å; S54-V57 WeakPolarHBondContact OG-CG2 3.39Å; S54-V57 PolarHBondContact OG-N 2.97Å; V57-V59 PolarHBondContact O-N 2.88Å; V57-L60 PolarHBondContact O-N 3.41Å; V57-Q61 HydrophobicContact CG1-CG 4.39Å; V57-Q61 VanDerWaalsContact O-CG 3.29Å; V57-Q61 WeakPolarHBondContact O-CG 3.42Å; V57-Q61 PolarHBondContact O-N 2.88Å; V57-L81 HydrophobicContact CG1-CD1 4.25Å; V57-L84 HydrophobicContact CG2-CD1 3.82Å
58	R	98.4	Very high	97.6	Very high	114 Å²	114	63.6 Å²	63.6	43%	0.43	33%	0.329	S	S	.	.	H	α-helix	trans	-65.3	-36.9	177.7	-60.1	-162.5	-49.6	-85.7	0.9	112.5	Q53 S54 D55 H56 T62	Q53-R58 PolarHBondContact O-NH1 3.23Å; S54-R58 PolarHBondContact O-N 3.48Å; S54-R58 VanDerWaalsContact O-N 3.08Å; D55-R58 PolarHBondContact O-N 2.97Å; D55-R58 IonicContact OD1-CZ 3.4Å; D55-R58 IonicContact OD1-NH1 3.28Å; D55-R58 PolarHBondContact OD1-NH1 3.1Å; D55-R58 IonicContact OD1-NH2 2.69Å; D55-R58 PolarHBondContact OD1-NH2 3.44Å; H56-R58 VanDerWaalsContact C-N 3.27Å; H56-R58 PolarHBondContact O-N 3.43Å; R58-T62 VanDerWaalsContact O-CB 3.31Å; R58-T62 WeakPolarHBondContact O-CB 3.48Å; R58-T62 PolarHBondContact O-N 2.83Å; R58-T62 PolarHBondContact O-OG1 3.35Å
59	V	98.6	Very high	97.5	Very high	80 Å²	80	63.3 Å²	63.3	49%	0.485	33%	0.327	S	S	.	.	H	α-helix	trans	-61.1	-48.8	172.3	167.8	0	0	0	0	110.7	D55 H56 V57 Q61 T62 V63	D55-V59 VanDerWaalsContact O-CG2 3.32Å; D55-V59 WeakPolarHBondContact O-CG2 3.41Å; D55-V59 PolarHBondContact O-N 3.3Å; H56-V59 WeakPolarHBondContact O-CB 3.42Å; H56-V59 PolarHBondContact O-N 2.98Å; H56-V59 VanDerWaalsContact O-N 3.1Å; V57-V59 PolarHBondContact O-N 2.88Å; V59-Q61 PolarHBondContact O-N 3.38Å; V59-T62 WeakPolarHBondContact O-CB 3.3Å; V59-T62 PolarHBondContact O-N 2.72Å; V59-V63 WeakPolarHBondContact O-CG2 3.47Å; V59-V63 PolarHBondContact O-N 3.19Å
60	L	98.7	Very high	97.4	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	34%	0.344	C	S	.	.	H	α-helix	trans	-58.3	-48.2	178.5	-61.5	178.7	0	0	0	111.4	H56 V57 T62 V63 I64 N77 C80 L81 L84	H56-L60 WeakPolarHBondContact O-CG 3.5Å; H56-L60 PolarHBondContact O-N 3Å; V57-L60 PolarHBondContact O-N 3.41Å; L60-T62 VanDerWaalsContact C-N 3.32Å; L60-T62 PolarHBondContact O-N 2.97Å; L60-V63 PolarHBondContact O-N 3.36Å; L60-I64 WeakPolarHBondContact O-CD1 3.06Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.4Å; L60-I64 PolarHBondContact O-N 3.12Å; L60-N77 HydrophobicContact CD2-CB 4.02Å; L60-N77 WeakPolarHBondContact CD2-OD1 3.36Å; L60-C80 HydrophobicContact CD1-CB 3.81Å; L60-C80 HydrophobicContact CD2-CB 3.77Å; L60-C80 HydrophobicContact CG-CB 4.46Å; L60-L81 HydrophobicContact CB-CB 4.34Å; L60-L81 HydrophobicContact CD1-CB 4.11Å; L60-L81 HydrophobicContact CD1-CD1 4.3Å; L60-L84 HydrophobicContact CD1-CD1 3.92Å
61	Q	98.5	Very high	97.2	Very high	10 Å²	10	67.4 Å²	67.4	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-61.2	-40.7	177.6	-69.3	166.7	-16.9	0	0	111.9	V57 V59 I64 R65 L81 F210 S231	V57-Q61 HydrophobicContact CG1-CG 4.39Å; V57-Q61 VanDerWaalsContact O-CG 3.29Å; V57-Q61 WeakPolarHBondContact O-CG 3.42Å; V57-Q61 PolarHBondContact O-N 2.88Å; V59-Q61 PolarHBondContact O-N 3.38Å; Q61-I64 PolarHBondContact O-N 2.84Å; Q61-R65 WeakPolarHBondContact O-CB 3.18Å; Q61-R65 VanDerWaalsContact O-CG 3.24Å; Q61-R65 WeakPolarHBondContact O-CG 3.1Å; Q61-R65 PolarHBondContact O-N 3.02Å; Q61-L81 HydrophobicContact CG-CD2 4.06Å; Q61-F210 HydrophobicContact CB-CE1 4.23Å; Q61-F210 HydrophobicContact CB-CZ 4.49Å; Q61-F210 HydrophobicContact CG-CE1 3.89Å; Q61-F210 HydrophobicContact CG-CZ 4.17Å; Q61-S231 PolarHBondContact NE2-O 3.3Å; Q61-S231 VanDerWaalsContact NE2-O 3.09Å; Q61-S231 PolarHBondContact NE2-OG 2.85Å
62	T	98.2	Very high	97.1	Very high	91 Å²	91	72.8 Å²	72.8	56%	0.558	38%	0.376	S	S	*	.	H	α-helix	trans	-62	-46.4	177.2	-60	0	0	0	0	111.1	R58 V59 L60 I64 R65 N66	R58-T62 VanDerWaalsContact O-CB 3.31Å; R58-T62 WeakPolarHBondContact O-CB 3.48Å; R58-T62 PolarHBondContact O-N 2.83Å; R58-T62 PolarHBondContact O-OG1 3.35Å; V59-T62 WeakPolarHBondContact O-CB 3.3Å; V59-T62 PolarHBondContact O-N 2.72Å; L60-T62 VanDerWaalsContact C-N 3.32Å; L60-T62 PolarHBondContact O-N 2.97Å; T62-I64 VanDerWaalsContact C-N 3.34Å; T62-I64 PolarHBondContact O-N 2.82Å; T62-R65 PolarHBondContact O-N 3.41Å; T62-N66 WeakPolarHBondContact O-CB 3.47Å; T62-N66 PolarHBondContact O-N 3.47Å
63	V	98	Very high	97.1	Very high	32 Å²	32	72.8 Å²	72.8	19%	0.194	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-42.1	178	174.7	0	0	0	0	111.3	V59 L60 R65 N66 T69 N77	V59-V63 WeakPolarHBondContact O-CG2 3.47Å; V59-V63 PolarHBondContact O-N 3.19Å; L60-V63 PolarHBondContact O-N 3.36Å; V63-R65 VanDerWaalsContact C-N 3.31Å; V63-R65 PolarHBondContact O-N 2.85Å; V63-N66 PolarHBondContact O-N 2.81Å; V63-T69 HydrophobicContact CG1-CG2 3.43Å; V63-T69 VanDerWaalsContact CG1-CG2 3.43Å; V63-T69 WeakPolarHBondContact O-CB 3.26Å; V63-T69 PolarHBondContact O-OG1 3.18Å; V63-N77 HydrophobicContact CB-CB 4.08Å; V63-N77 HydrophobicContact CG1-CB 3.83Å
64	I	98	Very high	97.3	Very high	8 Å²	8	69.6 Å²	69.6	4%	0.041	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-35.5	177.6	-68.6	163.9	0	0	0	111.8	L60 Q61 T62 F74 N77 A78 L81 F210 P238 F241	L60-I64 WeakPolarHBondContact O-CD1 3.06Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.4Å; L60-I64 PolarHBondContact O-N 3.12Å; Q61-I64 PolarHBondContact O-N 2.84Å; T62-I64 VanDerWaalsContact C-N 3.34Å; T62-I64 PolarHBondContact O-N 2.82Å; I64-F74 HydrophobicContact CB-CE2 4.28Å; I64-F74 HydrophobicContact CG2-CE2 3.79Å; I64-F74 HydrophobicContact CG2-CZ 4.24Å; I64-F74 WeakPolarHBondContact O-CE2 3.27Å; I64-N77 HydrophobicContact CG1-CB 4.5Å; I64-A78 HydrophobicContact CD1-CB 4.39Å; I64-A78 HydrophobicContact CG1-CB 4.44Å; I64-L81 HydrophobicContact CD1-CB 4.13Å; I64-L81 HydrophobicContact CD1-CD2 3.56Å; I64-F210 HydrophobicContact CB-CZ 4.32Å; I64-F210 HydrophobicContact CD1-CE2 4.36Å; I64-F210 HydrophobicContact CD1-CZ 4.17Å; I64-F210 HydrophobicContact CG2-CE2 3.83Å; I64-F210 HydrophobicContact CG2-CZ 3.87Å; I64-P238 HydrophobicContact CG2-CG 4.3Å; I64-F241 HydrophobicContact CG2-CD2 4.09Å
65	R	97.2	Very high	97.3	Very high	79 Å²	79	68.6 Å²	68.6	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-81	-26.4	-179.4	-72.8	174	170.4	-74	1.4	113.3	Q61 T62 V63 K67 E232 I236	Q61-R65 WeakPolarHBondContact O-CB 3.18Å; Q61-R65 VanDerWaalsContact O-CG 3.24Å; Q61-R65 WeakPolarHBondContact O-CG 3.1Å; Q61-R65 PolarHBondContact O-N 3.02Å; T62-R65 PolarHBondContact O-N 3.41Å; V63-R65 VanDerWaalsContact C-N 3.31Å; V63-R65 PolarHBondContact O-N 2.85Å; R65-K67 PolarHBondContact O-N 3.41Å; R65-E232 IonicContact CZ-OE2 2.84Å; R65-E232 IonicContact NE-OE2 3.88Å; R65-E232 PolarHBondContact NE-OE2 2.88Å; R65-E232 IonicContact NH2-OE1 2.65Å; R65-E232 IonicContact NH2-OE2 3.91Å; R65-E232 PolarHBondContact NH2-OE2 3.29Å; R65-I236 VanDerWaalsContact CZ-O 3.31Å; R65-I236 PolarHBondContact NH1-O 2.88Å; R65-I236 PolarHBondContact NH2-O 3.44Å
66	N	96.9	Very high	97.3	Very high	74 Å²	74	69.5 Å²	69.5	40%	0.396	34%	0.341	S	S	.	.			trans	-70.7	119.6	-177.5	-179.9	7.7	0	0	0	111.3	T62 V63 D68 T69	T62-N66 WeakPolarHBondContact O-CB 3.47Å; T62-N66 PolarHBondContact O-N 3.47Å; V63-N66 PolarHBondContact O-N 2.81Å; N66-D68 PolarHBondContact O-N 2.84Å; N66-D68 PolarHBondContact OD1-N 3.16Å; N66-T69 WeakPolarHBondContact CB-OG1 3.38Å; N66-T69 WeakPolarHBondContact O-CB 3.38Å; N66-T69 PolarHBondContact O-N 2.91Å; N66-T69 PolarHBondContact O-OG1 3.27Å
67	K	94.6	Very high	97.3	Very high	152 Å²	152	65.1 Å²	65.1	66%	0.661	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.9	179.1	66.9	173.7	-171.6	172.2	0	113.1	R65 T69 R244	R65-K67 PolarHBondContact O-N 3.41Å; K67-T69 VanDerWaalsContact C-N 3.34Å; K67-R244 PolarHBondContact O-NH1 3.02Å; K67-R244 VanDerWaalsContact O-NH1 3.11Å; K67-R244 PolarHBondContact O-NH2 2.85Å
68	D	96.2	Very high	97.3	Very high	115 Å²	115	64.8 Å²	64.8	62%	0.615	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-5.4	-173.9	-58.3	-45.7	0	0	0	112	N66 P70	N66-D68 PolarHBondContact O-N 2.84Å; N66-D68 PolarHBondContact OD1-N 3.16Å; D68-P70 WeakPolarHBondContact O-CD 3.48Å
69	T	96.4	Very high	97.3	Very high	9 Å²	9	61.6 Å²	61.6	6%	0.055	31%	0.311	C	S	.	.	S	Bend	trans	-60.3	122.5	174.2	-64.2	0	0	0	0	110.5	V63 N66 K67 E73 F74 R244	V63-T69 HydrophobicContact CG1-CG2 3.43Å; V63-T69 VanDerWaalsContact CG1-CG2 3.43Å; V63-T69 WeakPolarHBondContact O-CB 3.26Å; V63-T69 PolarHBondContact O-OG1 3.18Å; N66-T69 WeakPolarHBondContact CB-OG1 3.38Å; N66-T69 WeakPolarHBondContact O-CB 3.38Å; N66-T69 PolarHBondContact O-N 2.91Å; N66-T69 PolarHBondContact O-OG1 3.27Å; K67-T69 VanDerWaalsContact C-N 3.34Å; T69-E73 HydrophobicContact CG2-CB 3.82Å; T69-F74 HydrophobicContact CG2-CB 3.86Å; T69-R244 PolarHBondContact O-NH1 2.88Å; T69-R244 VanDerWaalsContact O-NH1 3.15Å
70	P	96	Very high	97.3	Very high	84 Å²	84	59.4 Å²	59.4	55%	0.545	30%	0.299	S	S	.	.			trans	-59.9	147.5	172.8	-22.8	33.9	0	0	0	111.5	D68 N72 E73 F74	D68-P70 WeakPolarHBondContact O-CD 3.48Å; P70-N72 VanDerWaalsContact C-N 3.28Å; P70-N72 PolarHBondContact O-N 3.24Å; P70-N72 VanDerWaalsContact O-N 3.16Å; P70-E73 PolarHBondContact O-N 2.6Å; P70-E73 VanDerWaalsContact O-N 3.12Å; P70-F74 PolarHBondContact O-N 3.11Å
71	R	94.5	Very high	97.3	Very high	102 Å²	102	59.4 Å²	59.4	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-56.8	-38.4	-173.6	-175.7	171	177.7	-91.7	-0.3	113.7	F74 L75 R244 Y245	R71-F74 WeakPolarHBondContact O-CB 3.42Å; R71-F74 PolarHBondContact O-N 3.5Å; R71-L75 HydrophobicContact CG-CD1 4.32Å; R71-L75 HydrophobicContact CG-CG 4.33Å; R71-L75 VanDerWaalsContact O-CG 3.32Å; R71-L75 WeakPolarHBondContact O-CG 3.43Å; R71-L75 PolarHBondContact O-N 3.14Å; R71-R244 PolarHBondContact NE-O 3.39Å; R71-Y245 PolarHBondContact NH2-O 3.24Å
72	N	95.9	Very high	97.3	Very high	123 Å²	123	58.9 Å²	58.9	66%	0.658	30%	0.296	S	S	*	.	H	α-helix	trans	-64.4	-42.9	-179.4	-61.9	-16.5	0	0	0	111.6	P70 L75 F76	P70-N72 VanDerWaalsContact C-N 3.28Å; P70-N72 PolarHBondContact O-N 3.24Å; P70-N72 VanDerWaalsContact O-N 3.16Å; N72-L75 PolarHBondContact O-N 3.17Å; N72-F76 PolarHBondContact O-N 3Å
73	E	97.5	Very high	97.3	Very high	104 Å²	104	61.2 Å²	61.2	49%	0.486	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-42.6	174.1	-66.9	-58.1	126	0	0	111.2	T69 P70 L75 F76 N77	T69-E73 HydrophobicContact CG2-CB 3.82Å; P70-E73 PolarHBondContact O-N 2.6Å; P70-E73 VanDerWaalsContact O-N 3.12Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 2.93Å; E73-F76 PolarHBondContact O-N 3.45Å; E73-N77 WeakPolarHBondContact O-CB 3.4Å; E73-N77 PolarHBondContact O-N 3.09Å; E73-N77 PolarHBondContact O-ND2 2.95Å
74	F	97.6	Very high	97.3	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.018	30%	0.298	C	S	.	.	H	α-helix	trans	-56.6	-48.1	175.4	176.4	-82.4	0	0	0	111.2	I64 T69 P70 R71 N77 A78 F241 R244 Y245	I64-F74 HydrophobicContact CB-CE2 4.28Å; I64-F74 HydrophobicContact CG2-CE2 3.79Å; I64-F74 HydrophobicContact CG2-CZ 4.24Å; I64-F74 WeakPolarHBondContact O-CE2 3.27Å; T69-F74 HydrophobicContact CG2-CB 3.86Å; P70-F74 PolarHBondContact O-N 3.11Å; R71-F74 WeakPolarHBondContact O-CB 3.42Å; R71-F74 PolarHBondContact O-N 3.5Å; F74-N77 PolarHBondContact O-N 2.76Å; F74-A78 HydrophobicContact CE1-CB 4.24Å; F74-A78 WeakPolarHBondContact O-CB 3.22Å; F74-A78 PolarHBondContact O-N 3.41Å; F74-F241 HydrophobicContact CE1-CD2 4.42Å; F74-F241 HydrophobicContact CE1-CE2 4.47Å; F74-F241 AromaticContact CZ-CD2 3.72Å; F74-F241 HydrophobicContact CZ-CD2 3.72Å; F74-F241 HydrophobicContact CZ-CE2 4.12Å; F74-F241 HydrophobicContact CZ-CG 4.31Å; F74-R244 HydrophobicContact CD1-CB 3.9Å; F74-R244 HydrophobicContact CD2-CB 4.25Å; F74-R244 HydrophobicContact CD2-CG 4.47Å; F74-R244 HydrophobicContact CE1-CB 3.57Å; F74-R244 HydrophobicContact CE2-CB 3.92Å; F74-R244 HydrophobicContact CE2-CG 4.22Å; F74-R244 HydrophobicContact CG-CB 4.25Å; F74-R244 HydrophobicContact CZ-CB 3.59Å; F74-R244 HydrophobicContact CZ-CG 4.35Å; F74-Y245 HydrophobicContact CE1-CD2 4.35Å
75	L	97.3	Very high	97.4	Very high	36 Å²	36	61.8 Å²	61.8	19%	0.188	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-48.4	179.7	-71.3	177.5	0	0	0	111.7	R71 N72 E73 N77 A78 D79 Y245	R71-L75 HydrophobicContact CG-CD1 4.32Å; R71-L75 HydrophobicContact CG-CG 4.33Å; R71-L75 VanDerWaalsContact O-CG 3.32Å; R71-L75 WeakPolarHBondContact O-CG 3.43Å; R71-L75 PolarHBondContact O-N 3.14Å; N72-L75 PolarHBondContact O-N 3.17Å; E73-L75 VanDerWaalsContact C-N 3.33Å; E73-L75 PolarHBondContact O-N 2.93Å; L75-N77 VanDerWaalsContact C-N 3.34Å; L75-N77 PolarHBondContact O-N 2.94Å; L75-A78 PolarHBondContact O-N 3.42Å; L75-D79 WeakPolarHBondContact O-CB 3.37Å; L75-D79 PolarHBondContact O-N 3.17Å; L75-Y245 HydrophobicContact CD2-CD1 4.38Å; L75-Y245 HydrophobicContact CD2-CD2 3.61Å; L75-Y245 HydrophobicContact CD2-CE2 3.91Å; L75-Y245 HydrophobicContact CD2-CG 3.88Å; L75-Y245 WeakPolarHBondContact CD2-O 3.45Å
76	F	97.6	Very high	97.4	Very high	129 Å²	129	58 Å²	58	57%	0.566	28%	0.282	S	S	*	.	H	α-helix	trans	-56.7	-49	178.7	177.3	-97.5	0	0	0	111.5	N72 E73 D79 C80	N72-F76 PolarHBondContact O-N 3Å; E73-F76 PolarHBondContact O-N 3.45Å; F76-D79 PolarHBondContact O-N 2.88Å; F76-C80 PolarHBondContact O-N 2.64Å; F76-C80 PolarHBondContact O-SG 3.08Å
77	N	98.6	Very high	97.5	Very high	14 Å²	14	58 Å²	58	8%	0.075	28%	0.28	C	S	.	.	H	α-helix	trans	-70.8	-35.3	-178.5	-73.7	-95.9	0	0	0	112.3	L60 V63 I64 E73 F74 L75 C80 L81	L60-N77 HydrophobicContact CD2-CB 4.02Å; L60-N77 WeakPolarHBondContact CD2-OD1 3.36Å; V63-N77 HydrophobicContact CB-CB 4.08Å; V63-N77 HydrophobicContact CG1-CB 3.83Å; I64-N77 HydrophobicContact CG1-CB 4.5Å; E73-N77 WeakPolarHBondContact O-CB 3.4Å; E73-N77 PolarHBondContact O-N 3.09Å; E73-N77 PolarHBondContact O-ND2 2.95Å; F74-N77 PolarHBondContact O-N 2.76Å; L75-N77 VanDerWaalsContact C-N 3.34Å; L75-N77 PolarHBondContact O-N 2.94Å; N77-C80 PolarHBondContact O-N 2.94Å; N77-L81 PolarHBondContact O-N 3.09Å
78	A	98.5	Very high	97.7	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.5	-46.1	172.2	0	0	0	0	0	111.3	I64 F74 L75 C80 L81 I82 F241 Y245	I64-A78 HydrophobicContact CD1-CB 4.39Å; I64-A78 HydrophobicContact CG1-CB 4.44Å; F74-A78 HydrophobicContact CE1-CB 4.24Å; F74-A78 WeakPolarHBondContact O-CB 3.22Å; F74-A78 PolarHBondContact O-N 3.41Å; L75-A78 PolarHBondContact O-N 3.42Å; A78-C80 VanDerWaalsContact C-N 3.35Å; A78-C80 PolarHBondContact O-N 3.18Å; A78-L81 PolarHBondContact O-N 2.81Å; A78-I82 WeakPolarHBondContact O-CB 3.4Å; A78-I82 WeakPolarHBondContact O-CD1 3.17Å; A78-I82 WeakPolarHBondContact O-CG1 3.49Å; A78-I82 PolarHBondContact O-N 2.83Å; A78-F241 HydrophobicContact CB-CE2 3.81Å; A78-F241 HydrophobicContact CB-CZ 4.11Å; A78-Y245 HydrophobicContact CB-CD2 3.99Å; A78-Y245 HydrophobicContact CB-CE2 4.13Å
79	D	98.4	Very high	97.8	Very high	46 Å²	46	47.5 Å²	47.5	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-41.9	177.4	-77.3	-12.7	0	0	0	111.5	L75 F76 I82 R83 Y245	L75-D79 WeakPolarHBondContact O-CB 3.37Å; L75-D79 PolarHBondContact O-N 3.17Å; F76-D79 PolarHBondContact O-N 2.88Å; D79-I82 PolarHBondContact O-N 3.25Å; D79-R83 PolarHBondContact O-N 3.14Å; D79-Y245 WeakPolarHBondContact OD1-CE2 3.45Å; D79-Y245 PolarHBondContact OD1-OH 3.27Å
80	C	98.5	Very high	97.8	Very high	35 Å²	35	47.6 Å²	47.6	24%	0.236	23%	0.23	C	C	.	.	H	α-helix	trans	-58.1	-49.1	173	-70.8	0	0	0	0	111.7	L60 F76 N77 A78 R83 L84	L60-C80 HydrophobicContact CD1-CB 3.81Å; L60-C80 HydrophobicContact CD2-CB 3.77Å; L60-C80 HydrophobicContact CG-CB 4.46Å; F76-C80 PolarHBondContact O-N 2.64Å; F76-C80 PolarHBondContact O-SG 3.08Å; N77-C80 PolarHBondContact O-N 2.94Å; A78-C80 VanDerWaalsContact C-N 3.35Å; A78-C80 PolarHBondContact O-N 3.18Å; C80-R83 PolarHBondContact O-N 2.94Å; C80-L84 WeakPolarHBondContact O-CG 3.46Å; C80-L84 PolarHBondContact O-N 3.37Å
81	L	98.7	Very high	97.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.9	-39.2	-179	-172.1	62.3	0	0	0	112.2	V57 L60 Q61 I64 N77 A78 R83 L84 V85 L209 F210	V57-L81 HydrophobicContact CG1-CD1 4.25Å; L60-L81 HydrophobicContact CB-CB 4.34Å; L60-L81 HydrophobicContact CD1-CB 4.11Å; L60-L81 HydrophobicContact CD1-CD1 4.3Å; Q61-L81 HydrophobicContact CG-CD2 4.06Å; I64-L81 HydrophobicContact CD1-CB 4.13Å; I64-L81 HydrophobicContact CD1-CD2 3.56Å; N77-L81 PolarHBondContact O-N 3.09Å; A78-L81 PolarHBondContact O-N 2.81Å; L81-R83 VanDerWaalsContact C-N 3.28Å; L81-R83 PolarHBondContact O-N 2.96Å; L81-L84 PolarHBondContact O-N 3.33Å; L81-V85 PolarHBondContact O-N 3.18Å; L81-V85 VanDerWaalsContact O-N 3.1Å; L81-L209 HydrophobicContact CD2-CB 4.38Å; L81-L209 HydrophobicContact CG-CD2 4.38Å; L81-F210 HydrophobicContact CD2-CE2 4.07Å; L81-F210 HydrophobicContact CD2-CZ 3.78Å
82	I	98.7	Very high	97.9	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.9	-46.6	173.3	-74.9	165.9	0	0	0	109.9	A78 D79 L84 V85 V86 A128 M129 L209 F241 Y245	A78-I82 WeakPolarHBondContact O-CB 3.4Å; A78-I82 WeakPolarHBondContact O-CD1 3.17Å; A78-I82 WeakPolarHBondContact O-CG1 3.49Å; A78-I82 PolarHBondContact O-N 2.83Å; D79-I82 PolarHBondContact O-N 3.25Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 2.96Å; I82-V85 PolarHBondContact O-N 2.93Å; I82-V86 HydrophobicContact CG2-CG2 4.15Å; I82-V86 WeakPolarHBondContact O-CB 3.45Å; I82-V86 VanDerWaalsContact O-CG2 3.27Å; I82-V86 WeakPolarHBondContact O-CG2 3.43Å; I82-V86 PolarHBondContact O-N 2.93Å; I82-A128 HydrophobicContact CD1-CB 4.29Å; I82-M129 HydrophobicContact CD1-CG 4.43Å; I82-M129 HydrophobicContact CG1-CG 4.27Å; I82-M129 HydrophobicContact CG2-CB 4.13Å; I82-M129 HydrophobicContact CG2-CG 4.3Å; I82-L209 HydrophobicContact CB-CD2 4.49Å; I82-L209 HydrophobicContact CD1-CD1 4.49Å; I82-L209 HydrophobicContact CG1-CD1 3.75Å; I82-L209 HydrophobicContact CG1-CD2 3.91Å; I82-L209 HydrophobicContact CG1-CG 4.36Å; I82-F241 HydrophobicContact CD1-CZ 4.23Å; I82-Y245 HydrophobicContact CD1-CE2 4.1Å
83	R	98.3	Very high	97.9	Very high	139 Å²	139	40.3 Å²	40.3	53%	0.525	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-44.5	-179.3	-155.6	176.8	93.8	-168.6	1.2	111.6	D79 C80 L81 V85 V86 E87 C136	D79-R83 PolarHBondContact O-N 3.14Å; C80-R83 PolarHBondContact O-N 2.94Å; L81-R83 VanDerWaalsContact C-N 3.28Å; L81-R83 PolarHBondContact O-N 2.96Å; R83-V85 PolarHBondContact O-N 3.25Å; R83-V86 PolarHBondContact O-N 3.1Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 WeakPolarHBondContact CG-OE1 3.13Å; R83-E87 IonicContact CZ-OE1 2.94Å; R83-E87 IonicContact NE-OE1 2.64Å; R83-E87 PolarHBondContact NE-OE1 3.31Å; R83-E87 IonicContact NH2-OE1 3.69Å; R83-E87 WeakPolarHBondContact O-CB 3.33Å; R83-E87 WeakPolarHBondContact O-CG 3.24Å; R83-E87 PolarHBondContact O-N 3.46Å; R83-C136 WeakPolarHBondContact CG-SG 3.42Å
84	L	98.6	Very high	97.8	Very high	52 Å²	52	37.4 Å²	37.4	27%	0.272	18%	0.182	S	C	.	.	H	α-helix	trans	-60.4	-44.8	177.6	-63.7	175.1	0	0	0	112.4	L51 V57 L60 C80 L81 I82 V86 E88	L51-L84 HydrophobicContact CD1-CB 3.81Å; V57-L84 HydrophobicContact CG2-CD1 3.82Å; L60-L84 HydrophobicContact CD1-CD1 3.92Å; C80-L84 WeakPolarHBondContact O-CG 3.46Å; C80-L84 PolarHBondContact O-N 3.37Å; L81-L84 PolarHBondContact O-N 3.33Å; I82-L84 VanDerWaalsContact C-N 3.33Å; I82-L84 PolarHBondContact O-N 2.96Å; L84-V86 VanDerWaalsContact C-N 3.35Å; L84-E88 PolarHBondContact O-N 3.43Å; L84-E88 VanDerWaalsContact O-N 3.09Å
85	V	98.8	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.1	-37.8	177.4	171.2	0	0	0	0	111.5	L51 L81 I82 R83 G89 M129 L207 T208 L209 V229	L51-V85 HydrophobicContact CD1-CG2 3.61Å; L51-V85 HydrophobicContact CG-CG2 4.28Å; L81-V85 PolarHBondContact O-N 3.18Å; L81-V85 VanDerWaalsContact O-N 3.1Å; I82-V85 PolarHBondContact O-N 2.93Å; R83-V85 PolarHBondContact O-N 3.25Å; V85-G89 PolarHBondContact O-N 2.83Å; V85-M129 HydrophobicContact CG1-CE 4.19Å; V85-L207 HydrophobicContact CG1-CB 4.16Å; V85-T208 WeakPolarHBondContact CG1-O 3.27Å; V85-L209 HydrophobicContact CB-CD2 4.04Å; V85-L209 HydrophobicContact CG1-CD2 4.44Å; V85-L209 HydrophobicContact CG2-CD2 3.77Å; V85-V229 HydrophobicContact CG1-CG1 4.22Å
86	V	98.6	Very high	97.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-46.4	177.4	162.8	0	0	0	0	111.5	I82 R83 L84 E88 G89 L90 L133 C136 L207	I82-V86 HydrophobicContact CG2-CG2 4.15Å; I82-V86 WeakPolarHBondContact O-CB 3.45Å; I82-V86 VanDerWaalsContact O-CG2 3.27Å; I82-V86 WeakPolarHBondContact O-CG2 3.43Å; I82-V86 PolarHBondContact O-N 2.93Å; R83-V86 PolarHBondContact O-N 3.1Å; L84-V86 VanDerWaalsContact C-N 3.35Å; V86-E88 VanDerWaalsContact C-N 3.29Å; V86-E88 PolarHBondContact O-N 2.97Å; V86-G89 CarbonylContact O-C 3.52Å; V86-G89 WeakPolarHBondContact O-CA 3.32Å; V86-G89 PolarHBondContact O-N 2.99Å; V86-G89 VanDerWaalsContact O-N 3.09Å; V86-L90 HydrophobicContact CG1-CD1 4.17Å; V86-L90 HydrophobicContact CG1-CG 4.45Å; V86-L90 WeakPolarHBondContact O-CG 3.34Å; V86-L90 PolarHBondContact O-N 2.95Å; V86-L133 HydrophobicContact CG1-CB 4.5Å; V86-L133 HydrophobicContact CG1-CD1 3.76Å; V86-C136 HydrophobicContact CG1-CB 3.94Å; V86-L207 HydrophobicContact CG2-CD1 4.31Å
87	E	98	Very high	97.6	Very high	74 Å²	74	46.8 Å²	46.8	35%	0.346	23%	0.227	S	C	.	.	H	α-helix	trans	-58	-45	176.7	-75	175.7	-161.5	0	0	110.3	R83 G89 L90 N91	R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 WeakPolarHBondContact CG-OE1 3.13Å; R83-E87 IonicContact CZ-OE1 2.94Å; R83-E87 IonicContact NE-OE1 2.64Å; R83-E87 PolarHBondContact NE-OE1 3.31Å; R83-E87 IonicContact NH2-OE1 3.69Å; R83-E87 WeakPolarHBondContact O-CB 3.33Å; R83-E87 WeakPolarHBondContact O-CG 3.24Å; R83-E87 PolarHBondContact O-N 3.46Å; E87-G89 VanDerWaalsContact C-N 3.33Å; E87-G89 PolarHBondContact O-N 2.79Å; E87-L90 WeakPolarHBondContact O-CB 3.42Å; E87-L90 PolarHBondContact O-N 3.43Å; E87-L90 VanDerWaalsContact O-N 3.17Å; E87-N91 PolarHBondContact O-N 3.02Å
88	E	98.4	Very high	97.5	Very high	47 Å²	47	48.2 Å²	48.2	22%	0.22	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-38.3	174.6	-172.8	55.1	-143.9	0	0	112.2	I49 L51 L84 V86 L90 N91 Q92 V229	I49-E88 HydrophobicContact CG2-CG 3.77Å; L51-E88 HydrophobicContact CD2-CB 3.47Å; L51-E88 VanDerWaalsContact CD2-CB 3.47Å; L51-E88 HydrophobicContact CD2-CG 3.68Å; L84-E88 PolarHBondContact O-N 3.43Å; L84-E88 VanDerWaalsContact O-N 3.09Å; V86-E88 VanDerWaalsContact C-N 3.29Å; V86-E88 PolarHBondContact O-N 2.97Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 3.19Å; E88-N91 WeakPolarHBondContact O-CB 3.5Å; E88-N91 PolarHBondContact O-N 2.81Å; E88-N91 PolarHBondContact OE2-ND2 2.81Å; E88-Q92 WeakPolarHBondContact O-CG 3.37Å; E88-Q92 PolarHBondContact OE1-NE2 2.61Å; E88-V229 HydrophobicContact CB-CG1 3.92Å; E88-V229 HydrophobicContact CG-CG1 3.75Å
89	G	98.3	Very high	97.5	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.1	-37.9	172.3	0	0	0	0	0	113.8	V85 V86 E87 Q92	V85-G89 PolarHBondContact O-N 2.83Å; V86-G89 CarbonylContact O-C 3.52Å; V86-G89 WeakPolarHBondContact O-CA 3.32Å; V86-G89 PolarHBondContact O-N 2.99Å; V86-G89 VanDerWaalsContact O-N 3.09Å; E87-G89 VanDerWaalsContact C-N 3.33Å; E87-G89 PolarHBondContact O-N 2.79Å; G89-Q92 WeakPolarHBondContact O-CB 3.44Å; G89-Q92 PolarHBondContact O-N 2.78Å
90	L	97.2	Very high	97.5	Very high	11 Å²	11	53 Å²	53	6%	0.058	27%	0.269	C	S	.	.	H	α-helix	trans	-68.7	-35.3	176.3	-69.4	170.8	0	0	0	111.7	V86 E87 E88 Q92 L93 F113 C136 C137 M140 L175	V86-L90 HydrophobicContact CG1-CD1 4.17Å; V86-L90 HydrophobicContact CG1-CG 4.45Å; V86-L90 WeakPolarHBondContact O-CG 3.34Å; V86-L90 PolarHBondContact O-N 2.95Å; E87-L90 WeakPolarHBondContact O-CB 3.42Å; E87-L90 PolarHBondContact O-N 3.43Å; E87-L90 VanDerWaalsContact O-N 3.17Å; E88-L90 VanDerWaalsContact C-N 3.31Å; E88-L90 PolarHBondContact O-N 3.19Å; L90-Q92 PolarHBondContact O-N 3Å; L90-Q92 VanDerWaalsContact O-N 3.07Å; L90-L93 HydrophobicContact CD2-CD1 3.66Å; L90-L93 WeakPolarHBondContact O-CB 3.38Å; L90-L93 PolarHBondContact O-N 2.94Å; L90-F113 HydrophobicContact CB-CZ 4.15Å; L90-F113 WeakPolarHBondContact O-CE1 3.44Å; L90-C136 HydrophobicContact CD1-CB 3.45Å; L90-C136 VanDerWaalsContact CD1-CB 3.45Å; L90-C137 HydrophobicContact CD1-CB 4.13Å; L90-C137 HydrophobicContact CD2-CB 4Å; L90-M140 HydrophobicContact CD2-CE 3.68Å; L90-L175 HydrophobicContact CD2-CD1 3.96Å
91	N	96.6	Very high	97.4	Very high	107 Å²	107	56.6 Å²	56.6	57%	0.572	29%	0.29	S	S	*	.	H	α-helix	trans	-60	-18.5	174.6	-68.1	-25.2	0	0	0	113.1	E87 E88	E87-N91 PolarHBondContact O-N 3.02Å; E88-N91 WeakPolarHBondContact O-CB 3.5Å; E88-N91 PolarHBondContact O-N 2.81Å; E88-N91 PolarHBondContact OE2-ND2 2.81Å
92	Q	96.2	Very high	97.4	Very high	45 Å²	45	58.5 Å²	58.5	21%	0.21	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-2.5	179	-56.1	-48.2	-49.4	0	0	114.1	I49 E88 G89 L90 I205 R227 V229	I49-Q92 HydrophobicContact CD1-CG 3.63Å; I49-Q92 VanDerWaalsContact CD1-OE1 3.28Å; E88-Q92 WeakPolarHBondContact O-CG 3.37Å; E88-Q92 PolarHBondContact OE1-NE2 2.61Å; G89-Q92 WeakPolarHBondContact O-CB 3.44Å; G89-Q92 PolarHBondContact O-N 2.78Å; L90-Q92 PolarHBondContact O-N 3Å; L90-Q92 VanDerWaalsContact O-N 3.07Å; Q92-I205 HydrophobicContact CB-CD1 3.69Å; Q92-R227 PolarHBondContact O-NH1 3.34Å; Q92-V229 HydrophobicContact CG-CG2 4.32Å
93	L	96.3	Very high	97.3	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.021	35%	0.347	C	S	.	.	S	Bend	trans	-84.8	146.5	178.4	-62	178.9	0	0	0	111.3	L90 F113 N117 K173 L175 I205	L90-L93 HydrophobicContact CD2-CD1 3.66Å; L90-L93 WeakPolarHBondContact O-CB 3.38Å; L90-L93 PolarHBondContact O-N 2.94Å; L93-F113 HydrophobicContact CB-CD1 3.88Å; L93-F113 HydrophobicContact CB-CE1 3.91Å; L93-N117 HydrophobicContact CD1-CB 3.88Å; L93-N117 HydrophobicContact CD2-CB 4.31Å; L93-K173 HydrophobicContact CD2-CB 3.78Å; L93-K173 HydrophobicContact CD2-CG 4.46Å; L93-L175 HydrophobicContact CD1-CD1 4.27Å; L93-L175 HydrophobicContact CD2-CD2 4.02Å; L93-L175 HydrophobicContact CD2-CG 4.36Å; L93-I205 HydrophobicContact CD2-CD1 4.18Å
94	P	94.3	Very high	97.3	Very high	43 Å²	43	64 Å²	64	28%	0.279	35%	0.354	S	S	.	.			trans	-71.9	150.3	179.8	31.7	-36.3	0	0	0	111.6	L114 K173	P94-L114 HydrophobicContact CB-CB 4.48Å; P94-L114 HydrophobicContact CB-CD1 3.75Å; P94-L114 HydrophobicContact CB-CG 4.17Å; P94-L114 HydrophobicContact CG-CB 4.19Å; P94-L114 HydrophobicContact CG-CD1 4.08Å; P94-L114 HydrophobicContact CG-CG 4.41Å; P94-L114 PolarHBondContact O-N 2.93Å; P94-K173 HydrophobicContact CG-CG 4.16Å
95	Y	95.2	Very high	97.2	Very high	137 Å²	137	64.3 Å²	64.3	54%	0.537	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	162.7	-179.4	58.6	-97.3	0	0	0	111.6	I111 S112	Y95-I111 HydrophobicContact CD1-CD1 4.33Å; Y95-I111 HydrophobicContact CD2-CB 3.92Å; Y95-I111 HydrophobicContact CD2-CD1 4.11Å; Y95-I111 HydrophobicContact CD2-CG2 3.71Å; Y95-I111 HydrophobicContact CE2-CD1 4.45Å; Y95-I111 HydrophobicContact CE2-CG2 4Å; Y95-I111 HydrophobicContact CG-CB 4.33Å; Y95-I111 HydrophobicContact CG-CD1 4.05Å; Y95-S112 CarbonylContact C-O 3.57Å; Y95-S112 WeakPolarHBondContact CA-O 3.3Å; Y95-S112 VanDerWaalsContact CB-O 3.24Å; Y95-S112 WeakPolarHBondContact CB-O 3.32Å
96	E	96.2	Very high	97.1	Very high	96 Å²	96	70.3 Å²	70.3	45%	0.449	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	150.3	170.5	58.5	-169.3	152.3	0	0	110.6	V98 I111 S112 L114	E96-V98 HydrophobicContact CG-CG1 4.22Å; E96-I111 CarbonylContact O-C 3.56Å; E96-I111 VanDerWaalsContact O-CA 3.25Å; E96-I111 WeakPolarHBondContact O-CA 3.47Å; E96-S112 PolarHBondContact N-O 3.24Å; E96-S112 PolarHBondContact O-N 3.28Å; E96-L114 HydrophobicContact CB-CD2 3.65Å; E96-L114 HydrophobicContact CG-CD2 3.84Å
97	N	97.8	Very high	97.1	Very high	133 Å²	133	74.1 Å²	74.1	71%	0.711	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.8	172.3	-67.4	-27.1	0	0	0	109.7	G110	N97-G110 WeakPolarHBondContact CA-O 3.44Å
98	V	97	Very high	97.1	Very high	44 Å²	44	77.4 Å²	77.4	27%	0.267	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.3	177.1	-62.3	0	0	0	0	109.9	E96 V100 G110	E96-V98 HydrophobicContact CG-CG1 4.22Å; V98-V100 HydrophobicContact CG2-CG1 4.36Å; V98-G110 PolarHBondContact N-O 2.96Å; V98-G110 CarbonylContact O-C 3.57Å; V98-G110 PolarHBondContact O-N 3.32Å; V98-G110 VanDerWaalsContact O-O 3.14Å
99	C	97.7	Very high	97	Very high	78 Å²	78	81.5 Å²	81.5	53%	0.527	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.5	170.8	-179.9	0	0	0	0	108.4	S107 Q109	C99-S107 PolarHBondContact SG-OG 2.81Å; C99-Q109 PolarHBondContact SG-NE2 2.85Å
100	V	97.5	Very high	97	Very high	69 Å²	69	82.1 Å²	82.1	42%	0.418	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.9	176.7	-57.5	0	0	0	0	110.5	V98 Y108	V98-V100 HydrophobicContact CG2-CG1 4.36Å; V100-Y108 HydrophobicContact CG2-CD1 3.97Å; V100-Y108 HydrophobicContact CG2-CG 4.49Å; V100-Y108 PolarHBondContact N-O 3.19Å; V100-Y108 PolarHBondContact O-N 3.18Å
101	T	98	Very high	96.9	Very high	110 Å²	110	86.6 Å²	86.6	68%	0.675	48%	0.482	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	121.1	171.5	-54.1	0	0	0	0	108.7
102	T	97.4	Very high	96.8	Very high	40 Å²	40	84.1 Å²	84.1	25%	0.245	47%	0.473	C	S	.	.			trans	-69.2	159.4	176.1	61.1	0	0	0	0	111.1	T104 G105 H106	T102-T104 PolarHBondContact O-N 2.97Å; T102-T104 PolarHBondContact OG1-OG1 2.7Å; T102-G105 PolarHBondContact O-N 2.85Å; T102-H106 WeakPolarHBondContact CB-O 3.41Å; T102-H106 WeakPolarHBondContact CG2-O 3.32Å; T102-H106 PolarHBondContact N-O 3.41Å; T102-H106 WeakPolarHBondContact OG1-CA 3.31Å; T102-H106 WeakPolarHBondContact OG1-CB 3.49Å; T102-H106 PolarHBondContact OG1-N 3.44Å; T102-H106 PolarHBondContact OG1-O 3.44Å
103	P	97.2	Very high	96.6	Very high	147 Å²	147	85.9 Å²	85.9	96%	0.955	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.4	176.5	-26.4	35.7	0	0	0	114.5	G105	P103-G105 VanDerWaalsContact C-N 3.31Å
104	T	97.6	Very high	96.3	Very high	108 Å²	108	89 Å²	89	66%	0.663	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	7.1	175.4	57.5	0	0	0	0	113.3	T102 H106	T102-T104 PolarHBondContact O-N 2.97Å; T102-T104 PolarHBondContact OG1-OG1 2.7Å; T104-H106 PolarHBondContact O-ND1 3.21Å; T104-H106 PolarHBondContact OG1-ND1 3.17Å
105	G	96.5	Very high	95.9	Very high	57 Å²	57	98.7 Å²	98.7	59%	0.588	53%	0.527	S	S	*	.	S	Bend	trans	84.9	-0.5	176.7	0	0	0	0	0	115.3	T102 P103	T102-G105 PolarHBondContact O-N 2.85Å; P103-G105 VanDerWaalsContact C-N 3.31Å
106	H	97.4	Very high	95.5	Very high	126 Å²	126	93 Å²	93	58%	0.583	51%	0.511	S	S	*	.			trans	-82.1	142.6	178.9	-58.5	87.3	0	0	0	111.5	T102 T104	T102-H106 WeakPolarHBondContact CB-O 3.41Å; T102-H106 WeakPolarHBondContact CG2-O 3.32Å; T102-H106 PolarHBondContact N-O 3.41Å; T102-H106 WeakPolarHBondContact OG1-CA 3.31Å; T102-H106 WeakPolarHBondContact OG1-CB 3.49Å; T102-H106 PolarHBondContact OG1-N 3.44Å; T102-H106 PolarHBondContact OG1-O 3.44Å; T104-H106 PolarHBondContact O-ND1 3.21Å; T104-H106 PolarHBondContact OG1-ND1 3.17Å
107	S	97.7	Very high	95.4	Very high	80 Å²	80	89.6 Å²	89.6	56%	0.559	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.2	168.3	175.2	0	0	0	0	110.3	C99	C99-S107 PolarHBondContact SG-OG 2.81Å
108	Y	97.9	Very high	95.4	Very high	144 Å²	144	83.3 Å²	83.3	57%	0.565	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.3	174.2	177.7	-99	0	0	0	109.9	V100	V100-Y108 HydrophobicContact CG2-CD1 3.97Å; V100-Y108 HydrophobicContact CG2-CG 4.49Å; V100-Y108 PolarHBondContact N-O 3.19Å; V100-Y108 PolarHBondContact O-N 3.18Å
109	Q	97.9	Very high	95.4	Very high	132 Å²	132	81.2 Å²	81.2	62%	0.617	45%	0.449	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	108	174.3	-59.4	-59	-34.7	0	0	108.6	C99	C99-Q109 PolarHBondContact SG-NE2 2.85Å
110	G	97.3	Very high	95.5	Very high	13 Å²	13	77.5 Å²	77.5	13%	0.134	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	-165.6	-179.1	0	0	0	0	0	112.1	N97 V98	N97-G110 WeakPolarHBondContact CA-O 3.44Å; V98-G110 PolarHBondContact N-O 2.96Å; V98-G110 CarbonylContact O-C 3.57Å; V98-G110 PolarHBondContact O-N 3.32Å; V98-G110 VanDerWaalsContact O-O 3.14Å
111	I	95.6	Very high	95.5	Very high	105 Å²	105	74.2 Å²	74.2	54%	0.538	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.9	177.3	60.8	172.7	0	0	0	110.6	Y95 E96	Y95-I111 HydrophobicContact CD1-CD1 4.33Å; Y95-I111 HydrophobicContact CD2-CB 3.92Å; Y95-I111 HydrophobicContact CD2-CD1 4.11Å; Y95-I111 HydrophobicContact CD2-CG2 3.71Å; Y95-I111 HydrophobicContact CE2-CD1 4.45Å; Y95-I111 HydrophobicContact CE2-CG2 4Å; Y95-I111 HydrophobicContact CG-CB 4.33Å; Y95-I111 HydrophobicContact CG-CD1 4.05Å; E96-I111 CarbonylContact O-C 3.56Å; E96-I111 VanDerWaalsContact O-CA 3.25Å; E96-I111 WeakPolarHBondContact O-CA 3.47Å
112	S	93	Very high	95.5	Very high	55 Å²	55	69 Å²	69	39%	0.385	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.3	171.1	175.7	0	0	0	0	109.2	Y95 E96 L114	Y95-S112 CarbonylContact C-O 3.57Å; Y95-S112 WeakPolarHBondContact CA-O 3.3Å; Y95-S112 VanDerWaalsContact CB-O 3.24Å; Y95-S112 WeakPolarHBondContact CB-O 3.32Å; E96-S112 PolarHBondContact N-O 3.24Å; E96-S112 PolarHBondContact O-N 3.28Å; S112-L114 PolarHBondContact O-N 3.33Å
113	F	92.9	Very high	95.4	Very high	83 Å²	83	69 Å²	69	36%	0.364	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	138.7	171.5	-69.8	-57	0	0	0	110.8	L90 L93	L90-F113 HydrophobicContact CB-CZ 4.15Å; L90-F113 WeakPolarHBondContact O-CE1 3.44Å; L93-F113 HydrophobicContact CB-CD1 3.88Å; L93-F113 HydrophobicContact CB-CE1 3.91Å
114	L	90.9	Very high	95.1	Very high	68 Å²	68	69.2 Å²	69.2	36%	0.356	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-61.1	147.4	167.6	-66.8	-174.3	0	0	0	109.5	P94 E96 S112 N117	P94-L114 HydrophobicContact CB-CB 4.48Å; P94-L114 HydrophobicContact CB-CD1 3.75Å; P94-L114 HydrophobicContact CB-CG 4.17Å; P94-L114 HydrophobicContact CG-CB 4.19Å; P94-L114 HydrophobicContact CG-CD1 4.08Å; P94-L114 HydrophobicContact CG-CG 4.41Å; P94-L114 PolarHBondContact O-N 2.93Å; E96-L114 HydrophobicContact CB-CD2 3.65Å; E96-L114 HydrophobicContact CG-CD2 3.84Å; S112-L114 PolarHBondContact O-N 3.33Å; L114-N117 PolarHBondContact O-ND2 3.18Å
115	R	85.7	Confident	94.9	Very high	247 Å²	247	65.7 Å²	65.7	93%	0.932	33%	0.331	S	S	*	.	S	Bend	trans	-63.9	151.1	172.1	-63.1	-174.3	-179.8	-155.2	0.2	109.9
116	G	87.2	Confident	94.8	Very high	19 Å²	19	63 Å²	63	20%	0.196	30%	0.303	C	S	.	.			trans	103.4	21.4	176.7	0	0	0	0	0	114.9	R172 K173	G116-R172 CarbonylContact O-C 3.46Å; G116-R172 WeakPolarHBondContact O-CA 3.29Å; G116-R172 WeakPolarHBondContact O-CB 3.38Å; G116-R172 WeakPolarHBondContact O-CG 3.42Å; G116-K173 PolarHBondContact O-N 3.49Å
117	N	93.7	Very high	94.8	Very high	24 Å²	24	59.5 Å²	59.5	13%	0.128	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142.2	171.1	-52.4	-40	0	0	0	110.4	L93 L114 M140 K173	L93-N117 HydrophobicContact CD1-CB 3.88Å; L93-N117 HydrophobicContact CD2-CB 4.31Å; L114-N117 PolarHBondContact O-ND2 3.18Å; N117-M140 HydrophobicContact CB-SD 4.02Å; N117-K173 WeakPolarHBondContact OD1-CB 3.34Å
118	C	97.1	Very high	94.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	155.4	171.3	61.6	0	0	0	0	112.5	R141 P166 K173 V174 L175	C118-R141 WeakPolarHBondContact CA-O 3.47Å; C118-R141 WeakPolarHBondContact CB-O 3.19Å; C118-P166 HydrophobicContact CB-CG 3.96Å; C118-K173 PolarHBondContact N-O 3.47Å; C118-V174 WeakPolarHBondContact O-CA 3.43Å; C118-L175 PolarHBondContact O-N 3.08Å
119	G	98.1	Very high	94.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	151.7	166	0	0	0	0	0	111.3	R141 I142 G143 L175	G119-R141 PolarHBondContact N-O 3.49Å; G119-I142 CarbonylContact O-C 3.47Å; G119-I142 VanDerWaalsContact O-CA 3.3Å; G119-I142 WeakPolarHBondContact O-CA 3.26Å; G119-G143 PolarHBondContact O-N 3.36Å; G119-L175 CarbonylContact C-O 3.54Å; G119-L175 WeakPolarHBondContact CA-O 3.5Å
120	V	98.7	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	118.8	167	172.6	0	0	0	0	108.8	G143 I145 F165 I169 V174 L175 L176 M177 L194	V120-G143 WeakPolarHBondContact CA-O 3.4Å; V120-I145 HydrophobicContact CG1-CD1 3.77Å; V120-I145 HydrophobicContact CG1-CG1 3.78Å; V120-F165 HydrophobicContact CG1-CD1 4.44Å; V120-F165 HydrophobicContact CG1-CE1 3.85Å; V120-F165 HydrophobicContact CG2-CD1 3.98Å; V120-F165 HydrophobicContact CG2-CE1 4.12Å; V120-I169 HydrophobicContact CG2-CD1 3.93Å; V120-V174 HydrophobicContact CB-CG1 3.89Å; V120-V174 HydrophobicContact CG2-CG1 3.59Å; V120-L175 PolarHBondContact N-O 2.84Å; V120-L176 HydrophobicContact CB-CD1 4.12Å; V120-L176 HydrophobicContact CG1-CD1 3.82Å; V120-L176 CarbonylContact O-C 3.57Å; V120-L176 WeakPolarHBondContact O-CA 3.41Å; V120-M177 PolarHBondContact O-N 3.15Å; V120-L194 HydrophobicContact CG2-CD2 4.39Å
121	S	98.5	Very high	94.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.3	178.7	-50.6	0	0	0	0	111.1	M123 E130 I142 G143 K144 I145 M177	S121-M123 PolarHBondContact O-N 3.17Å; S121-E130 WeakPolarHBondContact CB-OE1 3.46Å; S121-E130 VanDerWaalsContact OG-CD 3.23Å; S121-E130 WeakPolarHBondContact OG-CG 3.45Å; S121-E130 PolarHBondContact OG-OE1 3.42Å; S121-I142 WeakPolarHBondContact OG-CG2 3.35Å; S121-G143 PolarHBondContact N-O 3.11Å; S121-K144 WeakPolarHBondContact O-CA 3.34Å; S121-I145 PolarHBondContact O-N 3.28Å; S121-M177 VanDerWaalsContact OG-CE 3.24Å; S121-M177 WeakPolarHBondContact OG-CE 3.16Å
122	V	98.1	Very high	94.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	102.5	168.5	-174.6	0	0	0	0	109	G126 I147 L176 M177 Y178 T186 A190	V122-G126 WeakPolarHBondContact O-CA 3.43Å; V122-G126 PolarHBondContact O-N 3.01Å; V122-I147 HydrophobicContact CG1-CB 4.47Å; V122-I147 HydrophobicContact CG1-CD1 4.05Å; V122-I147 HydrophobicContact CG1-CG1 4.32Å; V122-L176 HydrophobicContact CG2-CD1 3.59Å; V122-L176 HydrophobicContact CG2-CG 4.35Å; V122-M177 PolarHBondContact N-O 3.11Å; V122-Y178 HydrophobicContact CB-CD2 3.87Å; V122-Y178 HydrophobicContact CG1-CD2 4.11Å; V122-Y178 HydrophobicContact CG1-CE2 4.34Å; V122-T186 HydrophobicContact CG1-CG2 3.75Å; V122-A190 HydrophobicContact CG2-CB 3.69Å
123	M	95.4	Very high	94.8	Very high	41 Å²	41	42.6 Å²	42.6	20%	0.202	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	145.5	-175.4	-63.1	175.1	68	0	0	111.6	S121 E127 K144 I145 L146	S121-M123 PolarHBondContact O-N 3.17Å; M123-E127 WeakPolarHBondContact CE-OE1 3.26Å; M123-E127 HydrophobicContact CG-CG 3.95Å; M123-K144 HydrophobicContact CG-CB 4.31Å; M123-K144 HydrophobicContact CG-CD 4.44Å; M123-K144 HydrophobicContact SD-CB 3.87Å; M123-K144 HydrophobicContact SD-CD 3.79Å; M123-K144 HydrophobicContact SD-CG 4.23Å; M123-I145 PolarHBondContact N-O 2.86Å; M123-L146 HydrophobicContact CB-CD1 3.85Å
124	R	90.9	Very high	94.9	Very high	152 Å²	152	43.9 Å²	43.9	57%	0.574	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.7	-30.4	1.1	-65.4	-176.7	177.2	84.7	0.9	113.3	G126 E127	R124-G126 VanDerWaalsContact C-N 3.3Å; R124-G126 PolarHBondContact O-N 3.22Å; R124-E127 VanDerWaalsContact O-CB 3.31Å; R124-E127 WeakPolarHBondContact O-CB 3.41Å; R124-E127 WeakPolarHBondContact O-CG 3.48Å; R124-E127 PolarHBondContact O-N 2.97Å
125	S	92.3	Very high	95.1	Very high	33 Å²	33	46 Å²	46	23%	0.231	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-56.9	-38.4	-172.9	-55.6	0	0	0	0	114.1	E127 A128 P179	S125-E127 PolarHBondContact O-N 2.8Å; S125-E127 VanDerWaalsContact O-N 3.17Å; S125-A128 WeakPolarHBondContact O-CB 3.46Å; S125-A128 PolarHBondContact O-N 2.85Å; S125-P179 WeakPolarHBondContact O-CD 3.25Å; S125-P179 VanDerWaalsContact O-CG 3.26Å; S125-P179 WeakPolarHBondContact O-CG 3.43Å
126	G	95.3	Very high	95.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-59.5	-23.8	178	0	0	0	0	0	114.2	V122 R124 A128 M129 M177	V122-G126 WeakPolarHBondContact O-CA 3.43Å; V122-G126 PolarHBondContact O-N 3.01Å; R124-G126 VanDerWaalsContact C-N 3.3Å; R124-G126 PolarHBondContact O-N 3.22Å; G126-A128 PolarHBondContact O-N 3Å; G126-M129 PolarHBondContact O-N 3.42Å; G126-M129 VanDerWaalsContact O-N 3.14Å; G126-M177 WeakPolarHBondContact CA-O 3.35Å
127	E	96.4	Very high	95.7	Very high	54 Å²	54	36.3 Å²	36.3	25%	0.252	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-66	-23.7	-179.1	-59.6	-172.5	112.3	0	0	112.7	M123 R124 S125 M129 E130 K144 F246	M123-E127 WeakPolarHBondContact CE-OE1 3.26Å; M123-E127 HydrophobicContact CG-CG 3.95Å; R124-E127 VanDerWaalsContact O-CB 3.31Å; R124-E127 WeakPolarHBondContact O-CB 3.41Å; R124-E127 WeakPolarHBondContact O-CG 3.48Å; R124-E127 PolarHBondContact O-N 2.97Å; S125-E127 PolarHBondContact O-N 2.8Å; S125-E127 VanDerWaalsContact O-N 3.17Å; E127-M129 PolarHBondContact O-N 2.9Å; E127-E130 WeakPolarHBondContact O-CB 3.44Å; E127-E130 PolarHBondContact O-N 3.04Å; E127-K144 IonicContact OE1-NZ 3.15Å; E127-K144 PolarHBondContact OE1-NZ 3.23Å; E127-F246 HydrophobicContact CB-CE1 4.39Å; E127-F246 HydrophobicContact CB-CZ 3.96Å
128	A	96.9	Very high	95.3	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-59.7	-34.1	175.9	0	0	0	0	0	111.4	I82 S125 G126 P179 F241 Y245 F246	I82-A128 HydrophobicContact CD1-CB 4.29Å; S125-A128 WeakPolarHBondContact O-CB 3.46Å; S125-A128 PolarHBondContact O-N 2.85Å; G126-A128 PolarHBondContact O-N 3Å; A128-P179 HydrophobicContact CB-CG 4.4Å; A128-F241 HydrophobicContact CB-CE1 4.05Å; A128-Y245 HydrophobicContact CB-CD1 3.55Å; A128-Y245 HydrophobicContact CB-CD2 4.22Å; A128-Y245 HydrophobicContact CB-CE1 3.41Å; A128-Y245 VanDerWaalsContact CB-CE1 3.41Å; A128-Y245 HydrophobicContact CB-CE2 4.1Å; A128-Y245 HydrophobicContact CB-CG 3.96Å; A128-Y245 PolarHBondContact O-OH 2.86Å; A128-F246 HydrophobicContact CB-CE2 4.4Å; A128-F246 HydrophobicContact CB-CZ 3.99Å
129	M	98.2	Very high	94.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-84	-14	-176	-54.2	-177	73.2	0	0	113.2	I82 V85 G126 E127 R131 G132 L133 M177 P179 L207 L209	I82-M129 HydrophobicContact CD1-CG 4.43Å; I82-M129 HydrophobicContact CG1-CG 4.27Å; I82-M129 HydrophobicContact CG2-CB 4.13Å; I82-M129 HydrophobicContact CG2-CG 4.3Å; V85-M129 HydrophobicContact CG1-CE 4.19Å; G126-M129 PolarHBondContact O-N 3.42Å; G126-M129 VanDerWaalsContact O-N 3.14Å; E127-M129 PolarHBondContact O-N 2.9Å; M129-R131 VanDerWaalsContact C-N 3.27Å; M129-R131 PolarHBondContact O-N 2.82Å; M129-G132 PolarHBondContact O-N 3.25Å; M129-L133 PolarHBondContact O-N 2.74Å; M129-M177 HydrophobicContact CB-CB 4.01Å; M129-M177 HydrophobicContact CB-CG 4.16Å; M129-M177 HydrophobicContact CB-SD 3.68Å; M129-M177 HydrophobicContact CG-CB 4.45Å; M129-M177 HydrophobicContact SD-CB 3.9Å; M129-M177 HydrophobicContact SD-CG 4.44Å; M129-P179 HydrophobicContact CG-CG 3.76Å; M129-P179 HydrophobicContact SD-CB 4.38Å; M129-P179 HydrophobicContact SD-CG 3.77Å; M129-L207 HydrophobicContact CE-CB 3.85Å; M129-L209 HydrophobicContact CE-CD2 4.11Å
130	E	97.3	Very high	94.4	Very high	11 Å²	11	52 Å²	52	5%	0.051	24%	0.244	C	C	.	.	H	α-helix	trans	-65.6	-32.1	-175.5	-65.8	-177.6	-176	0	0	112.7	S121 E127 R134 I142 K144 M177	S121-E130 WeakPolarHBondContact CB-OE1 3.46Å; S121-E130 VanDerWaalsContact OG-CD 3.23Å; S121-E130 WeakPolarHBondContact OG-CG 3.45Å; S121-E130 PolarHBondContact OG-OE1 3.42Å; E127-E130 WeakPolarHBondContact O-CB 3.44Å; E127-E130 PolarHBondContact O-N 3.04Å; E130-R134 WeakPolarHBondContact O-CG 3.29Å; E130-R134 PolarHBondContact O-N 2.86Å; E130-R134 PolarHBondContact O-NH1 2.84Å; E130-R134 IonicContact OE2-CZ 3.66Å; E130-R134 IonicContact OE2-NH1 2.83Å; E130-R134 IonicContact OE2-NH2 2.65Å; E130-R134 PolarHBondContact OE2-NH2 3.27Å; E130-I142 HydrophobicContact CB-CD1 4.01Å; E130-I142 HydrophobicContact CG-CD1 4.13Å; E130-I142 HydrophobicContact CG-CG2 4.19Å; E130-K144 VanDerWaalsContact CD-NZ 3.28Å; E130-K144 IonicContact OE1-NZ 3.72Å; E130-K144 PolarHBondContact OE1-NZ 2.97Å; E130-K144 IonicContact OE2-NZ 3.67Å; E130-K144 PolarHBondContact OE2-NZ 2.69Å; E130-K144 VanDerWaalsContact OE2-NZ 3.15Å; E130-M177 HydrophobicContact CG-CE 3.98Å
131	R	94.5	Very high	94.2	Very high	155 Å²	155	58.8 Å²	58.8	59%	0.585	27%	0.269	S	S	*	.	H	α-helix	trans	-64.3	-54.1	175.6	-178.2	177.2	-124.3	168.4	1.3	110.2	M129 L133 R134 D135	M129-R131 VanDerWaalsContact C-N 3.27Å; M129-R131 PolarHBondContact O-N 2.82Å; R131-L133 PolarHBondContact O-N 3.27Å; R131-R134 PolarHBondContact O-N 3.03Å; R131-D135 WeakPolarHBondContact CG-OD2 3.34Å; R131-D135 VanDerWaalsContact O-CG 3.31Å; R131-D135 PolarHBondContact O-N 2.7Å
132	G	95.5	Very high	94.1	Very high	6 Å²	6	60.6 Å²	60.6	6%	0.062	28%	0.278	C	S	.	.	H	α-helix	trans	-54.5	-40	176.7	0	0	0	0	0	112.4	M129 D135 C136	M129-G132 PolarHBondContact O-N 3.25Å; G132-D135 PolarHBondContact O-N 2.9Å; G132-C136 PolarHBondContact O-N 3.18Å; G132-C136 VanDerWaalsContact O-N 3.09Å; G132-C136 PolarHBondContact O-SG 3.26Å
133	L	97	Very high	94.1	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-46.4	175.3	-167.1	63.5	0	0	0	113.4	V86 M129 R131 D135 C136 C137 M140 I142 L175 M177	V86-L133 HydrophobicContact CG1-CB 4.5Å; V86-L133 HydrophobicContact CG1-CD1 3.76Å; M129-L133 PolarHBondContact O-N 2.74Å; R131-L133 PolarHBondContact O-N 3.27Å; L133-D135 VanDerWaalsContact C-N 3.33Å; L133-C136 PolarHBondContact O-N 3.09Å; L133-C137 PolarHBondContact O-N 3.39Å; L133-M140 HydrophobicContact CD1-CE 3.2Å; L133-M140 HydrophobicContact CD2-CE 3.83Å; L133-M140 HydrophobicContact CG-CE 3.58Å; L133-I142 HydrophobicContact CD2-CD1 4.14Å; L133-I142 HydrophobicContact CD2-CG1 4.06Å; L133-L175 HydrophobicContact CD1-CD1 3.92Å; L133-M177 HydrophobicContact CB-SD 4.02Å; L133-M177 HydrophobicContact CD2-CE 3.72Å; L133-M177 HydrophobicContact CD2-SD 3.73Å; L133-M177 HydrophobicContact CG-SD 4.36Å
134	R	96	Very high	94.3	Very high	110 Å²	110	61.2 Å²	61.2	42%	0.415	28%	0.281	S	S	.	.	H	α-helix	trans	-67	-36	179.2	-71.7	-179.1	-160.6	98.3	0.8	112	E130 R131 C136 C137 R138 I142	E130-R134 WeakPolarHBondContact O-CG 3.29Å; E130-R134 PolarHBondContact O-N 2.86Å; E130-R134 PolarHBondContact O-NH1 2.84Å; E130-R134 IonicContact OE2-CZ 3.66Å; E130-R134 IonicContact OE2-NH1 2.83Å; E130-R134 IonicContact OE2-NH2 2.65Å; E130-R134 PolarHBondContact OE2-NH2 3.27Å; R131-R134 PolarHBondContact O-N 3.03Å; R134-C136 VanDerWaalsContact C-N 3.33Å; R134-C137 CarbonylContact O-C 3.55Å; R134-R138 WeakPolarHBondContact O-CA 3.17Å; R134-R138 WeakPolarHBondContact O-CG 3.35Å; R134-R138 PolarHBondContact O-N 3.11Å; R134-I142 HydrophobicContact CG-CD1 4.07Å
135	D	95	Very high	94.7	Very high	113 Å²	113	54 Å²	54	60%	0.604	25%	0.253	S	S	*	.	H	α-helix	trans	-68.4	-36.2	179.4	-66.7	-17.8	0	0	0	111.2	R131 G132 L133	R131-D135 WeakPolarHBondContact CG-OD2 3.34Å; R131-D135 VanDerWaalsContact O-CG 3.31Å; R131-D135 PolarHBondContact O-N 2.7Å; G132-D135 PolarHBondContact O-N 2.9Å; L133-D135 VanDerWaalsContact C-N 3.33Å
136	C	93.5	Very high	94.9	Very high	42 Å²	42	53.9 Å²	53.9	28%	0.284	25%	0.25	S	C	.	.	H	α-helix	trans	-83.1	-30.9	177.4	-57.7	0	0	0	0	113.2	R83 V86 L90 G132 L133 R134	R83-C136 WeakPolarHBondContact CG-SG 3.42Å; V86-C136 HydrophobicContact CG1-CB 3.94Å; L90-C136 HydrophobicContact CD1-CB 3.45Å; L90-C136 VanDerWaalsContact CD1-CB 3.45Å; G132-C136 PolarHBondContact O-N 3.18Å; G132-C136 VanDerWaalsContact O-N 3.09Å; G132-C136 PolarHBondContact O-SG 3.26Å; L133-C136 PolarHBondContact O-N 3.09Å; R134-C136 VanDerWaalsContact C-N 3.33Å
137	C	91.5	Very high	94.9	Very high	20 Å²	20	54.5 Å²	54.5	14%	0.135	25%	0.253	C	S	.	.			trans	-149.2	83.6	-175.9	-170.3	0	0	0	0	111.9	L90 L133 R134 S139 M140	L90-C137 HydrophobicContact CD1-CB 4.13Å; L90-C137 HydrophobicContact CD2-CB 4Å; L133-C137 PolarHBondContact O-N 3.39Å; R134-C137 CarbonylContact O-C 3.55Å; C137-S139 VanDerWaalsContact C-N 3.3Å; C137-S139 PolarHBondContact O-N 3.39Å; C137-M140 HydrophobicContact CB-CB 4.43Å; C137-M140 HydrophobicContact CB-CE 3.88Å; C137-M140 WeakPolarHBondContact O-CB 3.17Å; C137-M140 PolarHBondContact O-N 2.83Å
138	R	85.8	Confident	94.5	Very high	229 Å²	229	55.2 Å²	55.2	86%	0.864	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.7	-171.7	-66.1	-179.5	70.3	159.3	2.4	115.3	R134 M140	R134-R138 WeakPolarHBondContact O-CA 3.17Å; R134-R138 WeakPolarHBondContact O-CG 3.35Å; R134-R138 PolarHBondContact O-N 3.11Å; R138-M140 VanDerWaalsContact C-N 3.26Å; R138-M140 PolarHBondContact O-N 3.46Å
139	S	85.3	Confident	93.9	Very high	110 Å²	110	61.9 Å²	61.9	77%	0.769	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-9.6	-176.8	60.6	0	0	0	0	113.2	C137 R141	C137-S139 VanDerWaalsContact C-N 3.3Å; C137-S139 PolarHBondContact O-N 3.39Å; S139-R141 PolarHBondContact O-N 2.89Å
140	M	90.9	Very high	92.8	Very high	15 Å²	15	62.6 Å²	62.6	7%	0.074	29%	0.291	C	S	.	.			trans	-76.9	124.1	-171.7	-170	150.8	42.2	0	0	111.8	L90 N117 L133 C137 R138 L175	L90-M140 HydrophobicContact CD2-CE 3.68Å; N117-M140 HydrophobicContact CB-SD 4.02Å; L133-M140 HydrophobicContact CD1-CE 3.2Å; L133-M140 HydrophobicContact CD2-CE 3.83Å; L133-M140 HydrophobicContact CG-CE 3.58Å; C137-M140 HydrophobicContact CB-CB 4.43Å; C137-M140 HydrophobicContact CB-CE 3.88Å; C137-M140 WeakPolarHBondContact O-CB 3.17Å; C137-M140 PolarHBondContact O-N 2.83Å; R138-M140 VanDerWaalsContact C-N 3.26Å; R138-M140 PolarHBondContact O-N 3.46Å; M140-L175 HydrophobicContact CE-CD1 3.89Å; M140-L175 HydrophobicContact SD-CD1 4.3Å
141	R	94.3	Very high	91.4	Very high	142 Å²	142	71 Å²	71	54%	0.536	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.4	174.6	-63.2	-175.8	-179	175.7	-0.2	109.9	C118 G119 S139 P166	C118-R141 WeakPolarHBondContact CA-O 3.47Å; C118-R141 WeakPolarHBondContact CB-O 3.19Å; G119-R141 PolarHBondContact N-O 3.49Å; S139-R141 PolarHBondContact O-N 2.89Å; R141-P166 HydrophobicContact CB-CB 4.08Å; R141-P166 HydrophobicContact CB-CG 3.71Å
142	I	97.2	Very high	89.8	Confident	38 Å²	38	68.6 Å²	68.6	20%	0.195	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	118.1	-179.5	-63.1	171.1	0	0	0	109.2	G119 S121 E130 L133 R134 M177	G119-I142 CarbonylContact O-C 3.47Å; G119-I142 VanDerWaalsContact O-CA 3.3Å; G119-I142 WeakPolarHBondContact O-CA 3.26Å; S121-I142 WeakPolarHBondContact OG-CG2 3.35Å; E130-I142 HydrophobicContact CB-CD1 4.01Å; E130-I142 HydrophobicContact CG-CD1 4.13Å; E130-I142 HydrophobicContact CG-CG2 4.19Å; L133-I142 HydrophobicContact CD2-CD1 4.14Å; L133-I142 HydrophobicContact CD2-CG1 4.06Å; R134-I142 HydrophobicContact CG-CD1 4.07Å; I142-M177 HydrophobicContact CG2-CE 4.44Å
143	G	98	Very high	88.4	Confident	2 Å²	2	75.3 Å²	75.3	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	164.9	164.5	0	0	0	0	0	111.4	G119 V120 S121 K164	G119-G143 PolarHBondContact O-N 3.36Å; V120-G143 WeakPolarHBondContact CA-O 3.4Å; S121-G143 PolarHBondContact N-O 3.11Å; G143-K164 CarbonylContact C-O 3.46Å; G143-K164 WeakPolarHBondContact CA-O 3.36Å
144	K	98.6	Very high	86.8	Confident	52 Å²	52	83.4 Å²	83.4	23%	0.226	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.6	180	-68	-178.8	-178.6	-85.4	0	110.7	S121 M123 E127 E130 Y162 A163 K164	S121-K144 WeakPolarHBondContact O-CA 3.34Å; M123-K144 HydrophobicContact CG-CB 4.31Å; M123-K144 HydrophobicContact CG-CD 4.44Å; M123-K144 HydrophobicContact SD-CB 3.87Å; M123-K144 HydrophobicContact SD-CD 3.79Å; M123-K144 HydrophobicContact SD-CG 4.23Å; E127-K144 IonicContact OE1-NZ 3.15Å; E127-K144 PolarHBondContact OE1-NZ 3.23Å; E130-K144 VanDerWaalsContact CD-NZ 3.28Å; E130-K144 IonicContact OE1-NZ 3.72Å; E130-K144 PolarHBondContact OE1-NZ 2.97Å; E130-K144 IonicContact OE2-NZ 3.67Å; E130-K144 PolarHBondContact OE2-NZ 2.69Å; E130-K144 VanDerWaalsContact OE2-NZ 3.15Å; K144-Y162 HydrophobicContact CB-CE1 4.22Å; K144-A163 WeakPolarHBondContact O-CA 3.43Å; K144-K164 PolarHBondContact N-O 3.03Å; K144-K164 PolarHBondContact O-N 2.94Å
145	I	98.4	Very high	85.3	Confident	0 Å²	0	82.7 Å²	82.7	0%	0	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.7	169.8	-48	176.7	0	0	0	107.8	V120 S121 M123 I147 V160 Y162 F165 A190 V193 L194	V120-I145 HydrophobicContact CG1-CD1 3.77Å; V120-I145 HydrophobicContact CG1-CG1 3.78Å; S121-I145 PolarHBondContact O-N 3.28Å; M123-I145 PolarHBondContact N-O 2.86Å; I145-I147 HydrophobicContact CG2-CD1 3.88Å; I145-I147 HydrophobicContact CG2-CG1 3.61Å; I145-V160 HydrophobicContact CG2-CG1 4.23Å; I145-Y162 CarbonylContact C-O 3.19Å; I145-Y162 WeakPolarHBondContact CA-O 3.41Å; I145-F165 HydrophobicContact CD1-CE1 3.82Å; I145-F165 HydrophobicContact CD1-CZ 3.71Å; I145-F165 HydrophobicContact CG1-CE1 3.56Å; I145-F165 HydrophobicContact CG1-CZ 3.64Å; I145-A190 HydrophobicContact CD1-CB 4.07Å; I145-V193 HydrophobicContact CD1-CB 4.33Å; I145-V193 HydrophobicContact CD1-CG1 4.2Å; I145-V193 HydrophobicContact CG2-CG1 4.42Å; I145-V193 HydrophobicContact CG2-CG2 4.46Å; I145-L194 HydrophobicContact CD1-CD2 4.47Å; I145-L194 HydrophobicContact CD1-CG 4.35Å
146	L	97.5	Very high	84	Confident	31 Å²	31	81.6 Å²	81.6	16%	0.162	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.1	170.9	-176.7	60.6	0	0	0	109.3	M123 Q148 Y161 Y162	M123-L146 HydrophobicContact CB-CD1 3.85Å; L146-Q148 HydrophobicContact CD1-CG 4.29Å; L146-Q148 HydrophobicContact CG-CG 4.4Å; L146-Y161 PolarHBondContact O-N 2.93Å; L146-Y162 PolarHBondContact N-O 3.02Å
147	I	94.4	Very high	83.3	Confident	13 Å²	13	83.4 Å²	83.4	7%	0.067	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	128.3	179.1	-56.9	-175.6	0	0	0	108.1	V122 I145 V158 K159 V160 T186 K189 A190	V122-I147 HydrophobicContact CG1-CB 4.47Å; V122-I147 HydrophobicContact CG1-CD1 4.05Å; V122-I147 HydrophobicContact CG1-CG1 4.32Å; I145-I147 HydrophobicContact CG2-CD1 3.88Å; I145-I147 HydrophobicContact CG2-CG1 3.61Å; I147-V158 HydrophobicContact CG2-CB 4.5Å; I147-V158 HydrophobicContact CG2-CG1 3.02Å; I147-K159 WeakPolarHBondContact CA-O 3.35Å; I147-V160 HydrophobicContact CG1-CG2 4.44Å; I147-T186 HydrophobicContact CB-CG2 4.16Å; I147-T186 HydrophobicContact CD1-CG2 4.38Å; I147-T186 WeakPolarHBondContact CD1-O 3.41Å; I147-T186 HydrophobicContact CG2-CG2 4.03Å; I147-K189 HydrophobicContact CD1-CB 4.18Å; I147-K189 HydrophobicContact CD1-CG 4.37Å; I147-A190 HydrophobicContact CD1-CB 3.71Å
148	Q	89.6	Confident	83	Confident	69 Å²	69	82.9 Å²	82.9	32%	0.322	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.3	177.7	-56	-177.3	-88.8	0	0	110.7	L146 A150 K159 Y161	L146-Q148 HydrophobicContact CD1-CG 4.29Å; L146-Q148 HydrophobicContact CG-CG 4.4Å; Q148-A150 PolarHBondContact O-N 3.27Å; Q148-K159 PolarHBondContact N-O 3.44Å; Q148-K159 PolarHBondContact O-N 3.13Å; Q148-Y161 HydrophobicContact CB-CD2 4.04Å; Q148-Y161 HydrophobicContact CB-CE2 3.73Å; Q148-Y161 HydrophobicContact CG-CD2 4.03Å; Q148-Y161 HydrophobicContact CG-CE2 4.15Å
149	K	83.7	Confident	83.2	Confident	141 Å²	141	75.3 Å²	75.3	61%	0.613	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	115.2	169.6	-65.5	-178	-180	-178.8	0	107.9	V156 D157 V158	K149-V156 HydrophobicContact CB-CG1 4.42Å; K149-V156 HydrophobicContact CD-CG1 4.37Å; K149-D157 CarbonylContact C-O 3.57Å; K149-D157 WeakPolarHBondContact CA-O 3.44Å; K149-V158 HydrophobicContact CG-CG2 4.31Å
150	A	76	Confident	83.7	Confident	14 Å²	14	72.6 Å²	72.6	12%	0.116	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.8	168	0	0	0	0	0	108	Q148 D157 K159	Q148-A150 PolarHBondContact O-N 3.27Å; A150-D157 PolarHBondContact N-O 3.43Å; A150-D157 PolarHBondContact O-N 3.25Å; A150-K159 HydrophobicContact CB-CD 3.95Å; A150-K159 HydrophobicContact CB-CG 4.13Å
151	K	66.1	Low	83.8	Confident	187 Å²	187	78.1 Å²	78.1	81%	0.813	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	111.2	162.7	-73.5	-174	177.5	-174.2	0	106.4	V156	K151-V156 HydrophobicContact CG-CG2 4.49Å
152	E	62.5	Low	83.9	Confident	105 Å²	105	76.3 Å²	76.3	49%	0.491	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.2	177.1	-161.5	164.1	-154.7	0	0	107.1	D154 V155 K159	E152-D154 VanDerWaalsContact C-N 3.32Å; E152-D154 PolarHBondContact O-N 3.11Å; E152-V155 PolarHBondContact N-O 3.24Å; E152-V155 VanDerWaalsContact N-O 3.14Å; E152-V155 PolarHBondContact O-N 3.24Å; E152-K159 IonicContact OE2-NZ 3.18Å; E152-K159 PolarHBondContact OE2-NZ 3.15Å
153	N	64.5	Low	83.9	Confident	148 Å²	148	75.8 Å²	75.8	79%	0.791	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	44.8	-179.4	-53	-24.4	0	0	0	114.1	V155	N153-V155 PolarHBondContact O-N 2.73Å
154	D	64.2	Low	83.9	Confident	171 Å²	171	82.2 Å²	82.2	91%	0.914	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	2.3	-175.4	-62.8	-48.6	0	0	0	116.1	E152	E152-D154 VanDerWaalsContact C-N 3.32Å; E152-D154 PolarHBondContact O-N 3.11Å
155	V	64.3	Low	83.8	Confident	94 Å²	94	81.1 Å²	81.1	57%	0.57	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.1	171.8	-174.4	0	0	0	0	109.1	E152 N153 D157	E152-V155 PolarHBondContact N-O 3.24Å; E152-V155 VanDerWaalsContact N-O 3.14Å; E152-V155 PolarHBondContact O-N 3.24Å; N153-V155 PolarHBondContact O-N 2.73Å; V155-D157 PolarHBondContact O-N 2.98Å
156	V	66.7	Low	83.7	Confident	90 Å²	90	81.7 Å²	81.7	55%	0.545	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	101.2	172.3	-178.4	0	0	0	0	108.2	K149 K151	K149-V156 HydrophobicContact CB-CG1 4.42Å; K149-V156 HydrophobicContact CD-CG1 4.37Å; K151-V156 HydrophobicContact CG-CG2 4.49Å
157	D	80.5	Confident	83.5	Confident	81 Å²	81	83.6 Å²	83.6	43%	0.433	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	161	172.7	-170.4	26.1	0	0	0	111.1	K149 A150 V155	K149-D157 CarbonylContact C-O 3.57Å; K149-D157 WeakPolarHBondContact CA-O 3.44Å; A150-D157 PolarHBondContact N-O 3.43Å; A150-D157 PolarHBondContact O-N 3.25Å; V155-D157 PolarHBondContact O-N 2.98Å
158	V	84.8	Confident	83.5	Confident	9 Å²	9	87.9 Å²	87.9	6%	0.055	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	106.8	-179.6	-178.7	0	0	0	0	109.4	I147 K149 V185 K189	I147-V158 HydrophobicContact CG2-CB 4.5Å; I147-V158 HydrophobicContact CG2-CG1 3.02Å; K149-V158 HydrophobicContact CG-CG2 4.31Å; V158-V185 HydrophobicContact CB-CG1 4.34Å; V158-V185 HydrophobicContact CG2-CG1 3.61Å; V158-K189 HydrophobicContact CG1-CB 4.12Å; V158-K189 HydrophobicContact CG1-CG 4.18Å; V158-K189 WeakPolarHBondContact O-CE 3.28Å
159	K	90.7	Very high	83.9	Confident	69 Å²	69	84.8 Å²	84.8	30%	0.3	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142.8	-176.8	-65.8	-173	-176.9	179.7	0	111.5	I147 Q148 A150 E152 Y161	I147-K159 WeakPolarHBondContact CA-O 3.35Å; Q148-K159 PolarHBondContact N-O 3.44Å; Q148-K159 PolarHBondContact O-N 3.13Å; A150-K159 HydrophobicContact CB-CD 3.95Å; A150-K159 HydrophobicContact CB-CG 4.13Å; E152-K159 IonicContact OE2-NZ 3.18Å; E152-K159 PolarHBondContact OE2-NZ 3.15Å; K159-Y161 HydrophobicContact CB-CD2 4.37Å; K159-Y161 HydrophobicContact CB-CE2 3.72Å
160	V	93.9	Very high	84.5	Confident	54 Å²	54	81.1 Å²	81.1	33%	0.327	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.8	175.9	-178.2	0	0	0	0	107.6	I145 I147 K189 V193	I145-V160 HydrophobicContact CG2-CG1 4.23Å; I147-V160 HydrophobicContact CG1-CG2 4.44Å; V160-K189 HydrophobicContact CG2-CD 4.29Å; V160-K189 HydrophobicContact CG2-CG 3.72Å; V160-V193 HydrophobicContact CB-CG2 4.27Å; V160-V193 HydrophobicContact CG1-CG2 3.86Å; V160-V193 HydrophobicContact CG2-CG2 3.49Å; V160-V193 VanDerWaalsContact CG2-CG2 3.49Å
161	Y	94.1	Very high	85.5	Confident	131 Å²	131	86.3 Å²	86.3	51%	0.514	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-24.6	-178.4	-74.1	-94.8	0	0	0	112.5	L146 Q148 K159	L146-Y161 PolarHBondContact O-N 2.93Å; Q148-Y161 HydrophobicContact CB-CD2 4.04Å; Q148-Y161 HydrophobicContact CB-CE2 3.73Å; Q148-Y161 HydrophobicContact CG-CD2 4.03Å; Q148-Y161 HydrophobicContact CG-CE2 4.15Å; K159-Y161 HydrophobicContact CB-CD2 4.37Å; K159-Y161 HydrophobicContact CB-CE2 3.72Å
162	Y	95.3	Very high	86.9	Confident	104 Å²	104	79.6 Å²	79.6	41%	0.408	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	139.7	-176.6	-178.1	-95.8	0	0	0	110	K144 I145 L146 K164	K144-Y162 HydrophobicContact CB-CE1 4.22Å; I145-Y162 CarbonylContact C-O 3.19Å; I145-Y162 WeakPolarHBondContact CA-O 3.41Å; L146-Y162 PolarHBondContact N-O 3.02Å; Y162-K164 HydrophobicContact CE1-CB 3.53Å; Y162-K164 HydrophobicContact CE2-CB 4.34Å; Y162-K164 VanDerWaalsContact CZ-CB 3.45Å; Y162-K164 VanDerWaalsContact OH-CB 3.26Å; Y162-K164 WeakPolarHBondContact OH-CB 3.43Å; Y162-K164 WeakPolarHBondContact OH-CD 3.34Å
163	A	97.7	Very high	88.6	Confident	26 Å²	26	76.7 Å²	76.7	22%	0.215	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	121.7	167.6	0	0	0	0	0	107.9	K144 F165 V193 Y197	K144-A163 WeakPolarHBondContact O-CA 3.43Å; A163-F165 HydrophobicContact CB-CE2 3.92Å; A163-F165 HydrophobicContact CB-CZ 3.96Å; A163-V193 HydrophobicContact CB-CG1 3.74Å; A163-Y197 HydrophobicContact CB-CE2 4.42Å
164	K	97.9	Very high	90.2	Very high	138 Å²	138	69.7 Å²	69.7	60%	0.6	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	127.4	173.4	-171.7	174.6	-176.7	175.8	0	109.6	G143 K144 Y162	G143-K164 CarbonylContact C-O 3.46Å; G143-K164 WeakPolarHBondContact CA-O 3.36Å; K144-K164 PolarHBondContact N-O 3.03Å; K144-K164 PolarHBondContact O-N 2.94Å; Y162-K164 HydrophobicContact CE1-CB 3.53Å; Y162-K164 HydrophobicContact CE2-CB 4.34Å; Y162-K164 VanDerWaalsContact CZ-CB 3.45Å; Y162-K164 VanDerWaalsContact OH-CB 3.26Å; Y162-K164 WeakPolarHBondContact OH-CB 3.43Å; Y162-K164 WeakPolarHBondContact OH-CD 3.34Å
165	F	97.9	Very high	91.8	Very high	28 Å²	28	61.5 Å²	61.5	12%	0.123	31%	0.311	C	S	.	.			trans	-122.4	157	-172.3	-58.7	-56.7	0	0	0	111.6	V120 I145 A163 I169 V193 L194 Y197	V120-F165 HydrophobicContact CG1-CD1 4.44Å; V120-F165 HydrophobicContact CG1-CE1 3.85Å; V120-F165 HydrophobicContact CG2-CD1 3.98Å; V120-F165 HydrophobicContact CG2-CE1 4.12Å; I145-F165 HydrophobicContact CD1-CE1 3.82Å; I145-F165 HydrophobicContact CD1-CZ 3.71Å; I145-F165 HydrophobicContact CG1-CE1 3.56Å; I145-F165 HydrophobicContact CG1-CZ 3.64Å; A163-F165 HydrophobicContact CB-CE2 3.92Å; A163-F165 HydrophobicContact CB-CZ 3.96Å; F165-I169 HydrophobicContact CB-CB 4.07Å; F165-I169 HydrophobicContact CB-CD1 3.63Å; F165-I169 HydrophobicContact CB-CG1 4.41Å; F165-I169 HydrophobicContact CB-CG2 3.94Å; F165-I169 HydrophobicContact CD1-CD1 3.51Å; F165-I169 HydrophobicContact CD2-CD1 4.38Å; F165-I169 HydrophobicContact CD2-CG2 4.39Å; F165-I169 HydrophobicContact CE1-CD1 4.29Å; F165-I169 HydrophobicContact CG-CD1 3.57Å; F165-I169 HydrophobicContact CG-CG2 4.3Å; F165-V193 HydrophobicContact CE2-CG1 4.09Å; F165-V193 HydrophobicContact CZ-CG1 3.86Å; F165-L194 HydrophobicContact CD1-CD2 4.42Å; F165-L194 HydrophobicContact CE1-CD2 3.81Å; F165-L194 HydrophobicContact CZ-CD2 3.88Å; F165-Y197 AromaticContact CD2-CD1 3.63Å; F165-Y197 HydrophobicContact CD2-CD1 3.63Å; F165-Y197 AromaticContact CD2-CD2 3.98Å; F165-Y197 HydrophobicContact CD2-CD2 3.98Å; F165-Y197 AromaticContact CD2-CE1 3.73Å; F165-Y197 HydrophobicContact CD2-CE1 3.73Å; F165-Y197 HydrophobicContact CD2-CE2 4.1Å; F165-Y197 AromaticContact CD2-CG 3.74Å; F165-Y197 HydrophobicContact CD2-CG 3.74Å; F165-Y197 AromaticContact CD2-CZ 3.95Å; F165-Y197 HydrophobicContact CE2-CD1 4.04Å; F165-Y197 AromaticContact CE2-CD2 3.49Å; F165-Y197 HydrophobicContact CE2-CD2 3.49Å; F165-Y197 VanDerWaalsContact CE2-CD2 3.49Å; F165-Y197 HydrophobicContact CE2-CE1 4.08Å; F165-Y197 AromaticContact CE2-CE2 3.56Å; F165-Y197 HydrophobicContact CE2-CE2 3.56Å; F165-Y197 AromaticContact CE2-CG 3.73Å; F165-Y197 HydrophobicContact CE2-CG 3.73Å; F165-Y197 AromaticContact CE2-CZ 3.84Å
166	P	95.1	Very high	93.5	Very high	12 Å²	12	57 Å²	57	8%	0.078	28%	0.284	C	S	.	.			trans	-57.2	152	165.2	-22.1	34.8	0	0	0	111	C118 R141	C118-P166 HydrophobicContact CB-CG 3.96Å; R141-P166 HydrophobicContact CB-CB 4.08Å; R141-P166 HydrophobicContact CB-CG 3.71Å
167	P	94.1	Very high	95	Very high	72 Å²	72	52.8 Å²	52.8	47%	0.468	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	144.7	177.2	25.9	-34.9	0	0	0	111.4	R172	P167-R172 PolarHBondContact O-NE 2.61Å; P167-R172 PolarHBondContact O-NH2 3.23Å
168	N	94.6	Very high	95.8	Very high	103 Å²	103	50.9 Å²	50.9	55%	0.551	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	40.1	-179.8	-45.2	-25.2	0	0	0	113.2	E170 N171 R172	N168-E170 VanDerWaalsContact CA-OE1 3.24Å; N168-E170 WeakPolarHBondContact CA-OE1 3.22Å; N168-E170 VanDerWaalsContact CA-OE2 3.22Å; N168-E170 WeakPolarHBondContact CA-OE2 3.35Å; N168-E170 PolarHBondContact O-N 2.82Å; N168-N171 PolarHBondContact O-N 3.09Å; N168-N171 VanDerWaalsContact O-N 3.16Å; N168-R172 WeakPolarHBondContact O-CG 3.24Å
169	I	97.3	Very high	96.5	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.021	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-61.1	-28.8	-177.4	-170.3	170.2	0	0	0	112.7	V120 F165 N171 R172 V174 L194 V199	V120-I169 HydrophobicContact CG2-CD1 3.93Å; F165-I169 HydrophobicContact CB-CB 4.07Å; F165-I169 HydrophobicContact CB-CD1 3.63Å; F165-I169 HydrophobicContact CB-CG1 4.41Å; F165-I169 HydrophobicContact CB-CG2 3.94Å; F165-I169 HydrophobicContact CD1-CD1 3.51Å; F165-I169 HydrophobicContact CD2-CD1 4.38Å; F165-I169 HydrophobicContact CD2-CG2 4.39Å; F165-I169 HydrophobicContact CE1-CD1 4.29Å; F165-I169 HydrophobicContact CG-CD1 3.57Å; F165-I169 HydrophobicContact CG-CG2 4.3Å; I169-N171 PolarHBondContact O-N 3.38Å; I169-N171 VanDerWaalsContact O-N 3.14Å; I169-R172 WeakPolarHBondContact O-CB 3.47Å; I169-R172 PolarHBondContact O-N 3.12Å; I169-V174 HydrophobicContact CD1-CG2 4.11Å; I169-V174 HydrophobicContact CG1-CG2 3.97Å; I169-L194 HydrophobicContact CD1-CD2 3.96Å; I169-V199 HydrophobicContact CB-CG2 4.38Å; I169-V199 HydrophobicContact CD1-CG2 4.31Å; I169-V199 HydrophobicContact CG1-CG2 3.85Å; I169-V199 HydrophobicContact CG2-CG2 3.92Å
170	E	97.1	Very high	96.8	Very high	64 Å²	64	48 Å²	48	30%	0.299	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-56.4	-28.1	175.5	67.5	-70.7	165.9	0	0	113.1	N168 Y197 N198 P200	N168-E170 VanDerWaalsContact CA-OE1 3.24Å; N168-E170 WeakPolarHBondContact CA-OE1 3.22Å; N168-E170 VanDerWaalsContact CA-OE2 3.22Å; N168-E170 WeakPolarHBondContact CA-OE2 3.35Å; N168-E170 PolarHBondContact O-N 2.82Å; E170-Y197 WeakPolarHBondContact CB-O 3.11Å; E170-N198 HydrophobicContact CB-CB 3.95Å; E170-N198 WeakPolarHBondContact CB-O 3.14Å; E170-P200 WeakPolarHBondContact O-CD 3.31Å
171	N	95.7	Very high	97	Very high	123 Å²	123	45.4 Å²	45.4	66%	0.658	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-97.2	7.3	179.8	-64	-58.4	0	0	0	113.2	N168 I169	N168-N171 PolarHBondContact O-N 3.09Å; N168-N171 VanDerWaalsContact O-N 3.16Å; I169-N171 PolarHBondContact O-N 3.38Å; I169-N171 VanDerWaalsContact O-N 3.14Å
172	R	96	Very high	97	Very high	45 Å²	45	40.5 Å²	40.5	17%	0.17	21%	0.205	C	C	.	.	S	Bend	trans	-107.4	152.4	-172.3	-67.8	-176.6	-173.6	-89.3	-7.5	112.9	G116 P167 N168 I169	G116-R172 CarbonylContact O-C 3.46Å; G116-R172 WeakPolarHBondContact O-CA 3.29Å; G116-R172 WeakPolarHBondContact O-CB 3.38Å; G116-R172 WeakPolarHBondContact O-CG 3.42Å; P167-R172 PolarHBondContact O-NE 2.61Å; P167-R172 PolarHBondContact O-NH2 3.23Å; N168-R172 WeakPolarHBondContact O-CG 3.24Å; I169-R172 WeakPolarHBondContact O-CB 3.47Å; I169-R172 PolarHBondContact O-N 3.12Å
173	K	97.5	Very high	96.9	Very high	45 Å²	45	39.4 Å²	39.4	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.5	158.7	-66.3	-62.6	-168.9	-175.2	0	109.1	L93 P94 G116 N117 C118 N203	L93-K173 HydrophobicContact CD2-CB 3.78Å; L93-K173 HydrophobicContact CD2-CG 4.46Å; P94-K173 HydrophobicContact CG-CG 4.16Å; G116-K173 PolarHBondContact O-N 3.49Å; N117-K173 WeakPolarHBondContact OD1-CB 3.34Å; C118-K173 PolarHBondContact N-O 3.47Å; K173-N203 WeakPolarHBondContact CA-O 3.39Å; K173-N203 HydrophobicContact CD-CB 3.95Å; K173-N203 PolarHBondContact NZ-OD1 2.98Å
174	V	98.6	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.7	-173.4	178.5	0	0	0	0	110.1	C118 V120 I169 L176 L194 V199 N203 V204 I205	C118-V174 WeakPolarHBondContact O-CA 3.43Å; V120-V174 HydrophobicContact CB-CG1 3.89Å; V120-V174 HydrophobicContact CG2-CG1 3.59Å; I169-V174 HydrophobicContact CD1-CG2 4.11Å; I169-V174 HydrophobicContact CG1-CG2 3.97Å; V174-L176 PolarHBondContact O-N 2.95Å; V174-L194 HydrophobicContact CG1-CD1 4.25Å; V174-V199 HydrophobicContact CG2-CG1 3.96Å; V174-N203 PolarHBondContact N-O 2.83Å; V174-V204 HydrophobicContact CB-CG2 4.34Å; V174-V204 WeakPolarHBondContact O-CA 3.4Å; V174-I205 PolarHBondContact O-N 2.96Å
175	L	98.7	Very high	96.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	96.5	165.6	-59.4	-177.7	0	0	0	108.6	L90 L93 C118 G119 V120 L133 M140 I205 L207	L90-L175 HydrophobicContact CD2-CD1 3.96Å; L93-L175 HydrophobicContact CD1-CD1 4.27Å; L93-L175 HydrophobicContact CD2-CD2 4.02Å; L93-L175 HydrophobicContact CD2-CG 4.36Å; C118-L175 PolarHBondContact O-N 3.08Å; G119-L175 CarbonylContact C-O 3.54Å; G119-L175 WeakPolarHBondContact CA-O 3.5Å; V120-L175 PolarHBondContact N-O 2.84Å; L133-L175 HydrophobicContact CD1-CD1 3.92Å; M140-L175 HydrophobicContact CE-CD1 3.89Å; M140-L175 HydrophobicContact SD-CD1 4.3Å; L175-I205 CarbonylContact C-O 3.55Å; L175-I205 WeakPolarHBondContact CA-O 3.15Å; L175-I205 HydrophobicContact CD2-CB 3.87Å; L175-I205 HydrophobicContact CD2-CD1 3.83Å; L175-I205 HydrophobicContact CD2-CG1 4.47Å; L175-I205 HydrophobicContact CD2-CG2 4.22Å; L175-L207 HydrophobicContact CB-CD1 4Å; L175-L207 HydrophobicContact CB-CG 4.37Å; L175-L207 HydrophobicContact CD1-CD1 4.26Å; L175-L207 HydrophobicContact CD2-CD1 4.46Å; L175-L207 HydrophobicContact CD2-CD2 4.46Å; L175-L207 HydrophobicContact CG-CD1 4.46Å
176	L	98.9	Very high	96.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	115	179.1	-179.5	64.3	0	0	0	109.2	V120 V122 V174 V187 A190 L191 L194 V204 I205 L206 L207	V120-L176 HydrophobicContact CB-CD1 4.12Å; V120-L176 HydrophobicContact CG1-CD1 3.82Å; V120-L176 CarbonylContact O-C 3.57Å; V120-L176 WeakPolarHBondContact O-CA 3.41Å; V122-L176 HydrophobicContact CG2-CD1 3.59Å; V122-L176 HydrophobicContact CG2-CG 4.35Å; V174-L176 PolarHBondContact O-N 2.95Å; L176-V187 HydrophobicContact CD2-CG1 4.32Å; L176-A190 HydrophobicContact CD1-CB 4.37Å; L176-A190 HydrophobicContact CD2-CB 4.35Å; L176-L191 HydrophobicContact CD2-CD2 3.79Å; L176-L191 HydrophobicContact CD2-CG 4.17Å; L176-L194 HydrophobicContact CD1-CD1 4.29Å; L176-L194 HydrophobicContact CD2-CD1 4.34Å; L176-V204 HydrophobicContact CB-CG1 3.81Å; L176-V204 HydrophobicContact CD2-CG1 4.25Å; L176-I205 PolarHBondContact N-O 3.39Å; L176-L206 HydrophobicContact CB-CD1 4.43Å; L176-L206 HydrophobicContact CD2-CD1 4.1Å; L176-L206 HydrophobicContact CG-CD1 4.11Å; L176-L206 CarbonylContact O-C 3.58Å; L176-L206 WeakPolarHBondContact O-CA 3.2Å; L176-L207 PolarHBondContact O-N 2.66Å
177	M	98.8	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.1	-171.6	-65.5	-179.8	-64.8	0	0	111.9	V120 S121 V122 G126 M129 E130 L133 I142 L207	V120-M177 PolarHBondContact O-N 3.15Å; S121-M177 VanDerWaalsContact OG-CE 3.24Å; S121-M177 WeakPolarHBondContact OG-CE 3.16Å; V122-M177 PolarHBondContact N-O 3.11Å; G126-M177 WeakPolarHBondContact CA-O 3.35Å; M129-M177 HydrophobicContact CB-CB 4.01Å; M129-M177 HydrophobicContact CB-CG 4.16Å; M129-M177 HydrophobicContact CB-SD 3.68Å; M129-M177 HydrophobicContact CG-CB 4.45Å; M129-M177 HydrophobicContact SD-CB 3.9Å; M129-M177 HydrophobicContact SD-CG 4.44Å; E130-M177 HydrophobicContact CG-CE 3.98Å; L133-M177 HydrophobicContact CB-SD 4.02Å; L133-M177 HydrophobicContact CD2-CE 3.72Å; L133-M177 HydrophobicContact CD2-SD 3.73Å; L133-M177 HydrophobicContact CG-SD 4.36Å; I142-M177 HydrophobicContact CG2-CE 4.44Å; M177-L207 HydrophobicContact CG-CB 4.41Å; M177-L207 HydrophobicContact CG-CD1 4.26Å
178	Y	98.2	Very high	96.7	Very high	42 Å²	42	30.9 Å²	30.9	17%	0.165	17%	0.168	C	C	.	.			trans	-152.9	103.3	174.6	-169.2	-114.9	0	0	0	111.4	V122 I180 T186 V187 L207 T208	V122-Y178 HydrophobicContact CB-CD2 3.87Å; V122-Y178 HydrophobicContact CG1-CD2 4.11Å; V122-Y178 HydrophobicContact CG1-CE2 4.34Å; Y178-I180 VanDerWaalsContact C-N 3.34Å; Y178-I180 WeakPolarHBondContact CD1-O 3.24Å; Y178-I180 WeakPolarHBondContact CE1-O 3.25Å; Y178-I180 PolarHBondContact O-N 3.27Å; Y178-T186 HydrophobicContact CE2-CG2 4.12Å; Y178-V187 HydrophobicContact CD1-CG2 3.43Å; Y178-V187 VanDerWaalsContact CD1-CG2 3.43Å; Y178-V187 HydrophobicContact CE1-CG2 4.13Å; Y178-V187 HydrophobicContact CG-CG2 3.86Å; Y178-L207 PolarHBondContact N-O 3.45Å; Y178-T208 WeakPolarHBondContact O-CA 3.41Å; Y178-T208 WeakPolarHBondContact O-CB 3.44Å; Y178-T208 PolarHBondContact O-OG1 3.37Å
179	P	98.3	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-59	-34	-167	-27.9	30.9	0	0	0	116.6	S125 A128 M129 T208 L209 F210 F241	S125-P179 WeakPolarHBondContact O-CD 3.25Å; S125-P179 VanDerWaalsContact O-CG 3.26Å; S125-P179 WeakPolarHBondContact O-CG 3.43Å; A128-P179 HydrophobicContact CB-CG 4.4Å; M129-P179 HydrophobicContact CG-CG 3.76Å; M129-P179 HydrophobicContact SD-CB 4.38Å; M129-P179 HydrophobicContact SD-CG 3.77Å; P179-T208 PolarHBondContact O-OG1 2.95Å; P179-T208 VanDerWaalsContact O-OG1 3.09Å; P179-L209 HydrophobicContact CB-CD1 4.1Å; P179-L209 HydrophobicContact CB-CG 4.12Å; P179-L209 WeakPolarHBondContact O-CA 3.3Å; P179-L209 WeakPolarHBondContact O-CB 3.44Å; P179-L209 PolarHBondContact O-N 3.38Å; P179-F210 PolarHBondContact O-N 2.85Å; P179-F210 VanDerWaalsContact O-N 3.13Å; P179-F241 HydrophobicContact CB-CD1 3.76Å; P179-F241 HydrophobicContact CB-CE1 3.54Å; P179-F241 HydrophobicContact CB-CZ 4.16Å; P179-F241 HydrophobicContact CG-CD1 4.22Å; P179-F241 HydrophobicContact CG-CE1 3.72Å
180	I	97.4	Very high	96.8	Very high	17 Å²	17	29.4 Å²	29.4	9%	0.087	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	99.1	-172.9	-53.7	-60.3	0	0	0	110.5	Y178 G182 F210 V237 P238 F241	Y178-I180 VanDerWaalsContact C-N 3.34Å; Y178-I180 WeakPolarHBondContact CD1-O 3.24Å; Y178-I180 WeakPolarHBondContact CE1-O 3.25Å; Y178-I180 PolarHBondContact O-N 3.27Å; I180-G182 PolarHBondContact O-N 3.15Å; I180-G182 VanDerWaalsContact O-N 3.12Å; I180-F210 HydrophobicContact CD1-CB 4.04Å; I180-F210 HydrophobicContact CD1-CD2 3.54Å; I180-F210 HydrophobicContact CD1-CE2 4.47Å; I180-F210 HydrophobicContact CD1-CG 4.19Å; I180-V237 HydrophobicContact CG2-CB 3.93Å; I180-V237 HydrophobicContact CG2-CG2 3.62Å; I180-P238 HydrophobicContact CD1-CG 3.83Å; I180-F241 HydrophobicContact CD1-CB 3.64Å; I180-F241 HydrophobicContact CD1-CD2 4.37Å; I180-F241 HydrophobicContact CD1-CG 3.95Å; I180-F241 HydrophobicContact CG1-CB 3.6Å; I180-F241 HydrophobicContact CG1-CD1 4.3Å; I180-F241 HydrophobicContact CG1-CG 4.06Å
181	L	97.2	Very high	96.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	81.6	173.9	-165.8	70.6	0	0	0	110	V187 L206 T208 F210 A211 S212 S215 V216 V219	L181-V187 HydrophobicContact CD1-CB 3.83Å; L181-V187 HydrophobicContact CD1-CG1 4.27Å; L181-V187 HydrophobicContact CD1-CG2 3.56Å; L181-L206 HydrophobicContact CD1-CD2 4.15Å; L181-L206 HydrophobicContact CD2-CD2 3.95Å; L181-T208 HydrophobicContact CB-CG2 4.22Å; L181-T208 PolarHBondContact N-OG1 3.24Å; L181-F210 PolarHBondContact N-O 3.18Å; L181-A211 HydrophobicContact CB-CB 3.97Å; L181-A211 HydrophobicContact CD2-CB 4.05Å; L181-A211 WeakPolarHBondContact O-CA 3.47Å; L181-S212 PolarHBondContact O-N 2.86Å; L181-S215 WeakPolarHBondContact CG-OG 3.28Å; L181-S215 WeakPolarHBondContact O-CB 3.35Å; L181-S215 PolarHBondContact O-OG 2.95Å; L181-V216 HydrophobicContact CD2-CG2 4.36Å; L181-V219 HydrophobicContact CD1-CG2 4.28Å
182	G	94.6	Very high	97	Very high	27 Å²	27	23.8 Å²	23.8	28%	0.278	13%	0.128	S	C	.	.	S	Bend	trans	-81.6	-61.8	-177.5	0	0	0	0	0	114.4	I180 S212 S215	I180-G182 PolarHBondContact O-N 3.15Å; I180-G182 VanDerWaalsContact O-N 3.12Å; G182-S212 PolarHBondContact O-OG 3.32Å; G182-S215 WeakPolarHBondContact O-CB 3.42Å
183	T	92.7	Very high	97.1	Very high	81 Å²	81	22.3 Å²	22.3	50%	0.497	12%	0.124	S	C	.	.	S	Bend	trans	-109.6	-14.9	178	63.6	0	0	0	0	113.2	V185 N218	T183-V185 PolarHBondContact O-N 3.41Å; T183-V185 PolarHBondContact OG1-N 3.02Å; T183-N218 PolarHBondContact O-ND2 3.07Å; T183-N218 VanDerWaalsContact O-ND2 3.1Å
184	G	94.8	Very high	97.2	Very high	4 Å²	4	20.1 Å²	20.1	4%	0.041	11%	0.114	C	C	.	.	S	Bend	trans	79.4	-14	-174.4	0	0	0	0	0	115.3	T186 V187 L188	G184-T186 PolarHBondContact O-N 3.47Å; G184-V187 PolarHBondContact O-N 3.39Å; G184-V187 VanDerWaalsContact O-N 3.07Å; G184-L188 WeakPolarHBondContact O-CG 3.35Å; G184-L188 PolarHBondContact O-N 2.9Å
185	V	94.5	Very high	97.1	Very high	64 Å²	64	24.4 Å²	24.4	39%	0.388	13%	0.13	S	C	.	.	H	α-helix	trans	-58.4	-45.6	-173.4	-178.9	0	0	0	0	112.7	V158 T183 V187 L188 K189	V158-V185 HydrophobicContact CB-CG1 4.34Å; V158-V185 HydrophobicContact CG2-CG1 3.61Å; T183-V185 PolarHBondContact O-N 3.41Å; T183-V185 PolarHBondContact OG1-N 3.02Å; V185-V187 VanDerWaalsContact C-N 3.31Å; V185-V187 PolarHBondContact O-N 3.02Å; V185-L188 PolarHBondContact O-N 3.35Å; V185-K189 PolarHBondContact O-N 3.35Å
186	T	94.8	Very high	97.1	Very high	14 Å²	14	29.3 Å²	29.3	9%	0.086	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-40.2	177.7	-56.3	0	0	0	0	111.9	V122 I147 Y178 G184 K189 A190	V122-T186 HydrophobicContact CG1-CG2 3.75Å; I147-T186 HydrophobicContact CB-CG2 4.16Å; I147-T186 HydrophobicContact CD1-CG2 4.38Å; I147-T186 WeakPolarHBondContact CD1-O 3.41Å; I147-T186 HydrophobicContact CG2-CG2 4.03Å; Y178-T186 HydrophobicContact CE2-CG2 4.12Å; G184-T186 PolarHBondContact O-N 3.47Å; T186-K189 PolarHBondContact O-N 3.42Å; T186-A190 PolarHBondContact O-N 3.12Å
187	V	97.3	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-71.9	-40.1	178.6	166	0	0	0	0	111.4	L176 Y178 L181 G184 V185 K189 A190 L191 L206 V219	L176-V187 HydrophobicContact CD2-CG1 4.32Å; Y178-V187 HydrophobicContact CD1-CG2 3.43Å; Y178-V187 VanDerWaalsContact CD1-CG2 3.43Å; Y178-V187 HydrophobicContact CE1-CG2 4.13Å; Y178-V187 HydrophobicContact CG-CG2 3.86Å; L181-V187 HydrophobicContact CD1-CB 3.83Å; L181-V187 HydrophobicContact CD1-CG1 4.27Å; L181-V187 HydrophobicContact CD1-CG2 3.56Å; G184-V187 PolarHBondContact O-N 3.39Å; G184-V187 VanDerWaalsContact O-N 3.07Å; V185-V187 VanDerWaalsContact C-N 3.31Å; V185-V187 PolarHBondContact O-N 3.02Å; V187-K189 VanDerWaalsContact C-N 3.29Å; V187-K189 PolarHBondContact O-N 3Å; V187-A190 WeakPolarHBondContact O-CB 3.34Å; V187-A190 PolarHBondContact O-N 3.13Å; V187-A190 VanDerWaalsContact O-N 3.12Å; V187-L191 HydrophobicContact CG1-CD1 4.04Å; V187-L191 HydrophobicContact CG1-CG 4.33Å; V187-L191 VanDerWaalsContact O-CG 3.31Å; V187-L191 WeakPolarHBondContact O-CG 3.41Å; V187-L191 PolarHBondContact O-N 2.89Å; V187-L206 HydrophobicContact CG1-CD1 3.91Å; V187-L206 HydrophobicContact CG1-CD2 3.82Å; V187-L206 HydrophobicContact CG1-CG 4.49Å; V187-L206 HydrophobicContact CG2-CD1 4.07Å; V187-V219 HydrophobicContact CG1-CG1 4.48Å; V187-V219 HydrophobicContact CG1-CG2 4.27Å
188	L	97.6	Very high	97	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-56.2	-46.3	172.7	-74.6	173.9	0	0	0	111.2	G184 V185 A190 L191 D192 N218 V219 R222 N223	G184-L188 WeakPolarHBondContact O-CG 3.35Å; G184-L188 PolarHBondContact O-N 2.9Å; V185-L188 PolarHBondContact O-N 3.35Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 3.41Å; L188-L191 WeakPolarHBondContact O-CB 2.92Å; L188-L191 PolarHBondContact O-N 2.84Å; L188-D192 VanDerWaalsContact O-CG 3.3Å; L188-D192 PolarHBondContact O-N 2.83Å; L188-N218 WeakPolarHBondContact CD1-ND2 3.38Å; L188-V219 HydrophobicContact CD2-CG2 4.33Å; L188-V219 HydrophobicContact CG-CG2 4.23Å; L188-R222 HydrophobicContact CD2-CB 4.02Å; L188-R222 HydrophobicContact CD2-CG 4.48Å; L188-N223 WeakPolarHBondContact CD2-ND2 3.41Å
189	K	96.5	Very high	97	Very high	76 Å²	76	38.3 Å²	38.3	33%	0.33	21%	0.205	S	C	.	.	H	α-helix	trans	-64.1	-38	176.7	-166.2	66.5	171.8	-174.4	0	112.1	I147 V158 V160 V185 T186 V187 D192 V193	I147-K189 HydrophobicContact CD1-CB 4.18Å; I147-K189 HydrophobicContact CD1-CG 4.37Å; V158-K189 HydrophobicContact CG1-CB 4.12Å; V158-K189 HydrophobicContact CG1-CG 4.18Å; V158-K189 WeakPolarHBondContact O-CE 3.28Å; V160-K189 HydrophobicContact CG2-CD 4.29Å; V160-K189 HydrophobicContact CG2-CG 3.72Å; V185-K189 PolarHBondContact O-N 3.35Å; T186-K189 PolarHBondContact O-N 3.42Å; V187-K189 VanDerWaalsContact C-N 3.29Å; V187-K189 PolarHBondContact O-N 3Å; K189-D192 PolarHBondContact O-N 2.91Å; K189-V193 WeakPolarHBondContact O-CG2 3.42Å; K189-V193 PolarHBondContact O-N 3.12Å
190	A	98.4	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.3	-40.9	174	0	0	0	0	0	112.2	V122 I145 I147 L176 T186 V187 L188 V193 L194	V122-A190 HydrophobicContact CG2-CB 3.69Å; I145-A190 HydrophobicContact CD1-CB 4.07Å; I147-A190 HydrophobicContact CD1-CB 3.71Å; L176-A190 HydrophobicContact CD1-CB 4.37Å; L176-A190 HydrophobicContact CD2-CB 4.35Å; T186-A190 PolarHBondContact O-N 3.12Å; V187-A190 WeakPolarHBondContact O-CB 3.34Å; V187-A190 PolarHBondContact O-N 3.13Å; V187-A190 VanDerWaalsContact O-N 3.12Å; L188-A190 VanDerWaalsContact C-N 3.32Å; L188-A190 PolarHBondContact O-N 3.41Å; A190-V193 PolarHBondContact O-N 3.38Å; A190-L194 WeakPolarHBondContact O-CG 3.46Å; A190-L194 PolarHBondContact O-N 3.12Å
191	L	98.6	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-39.7	175.1	-67.3	169.1	0	0	0	111.4	L176 V187 L188 V193 L194 R195 I201 V204 V219 N223 L226	L176-L191 HydrophobicContact CD2-CD2 3.79Å; L176-L191 HydrophobicContact CD2-CG 4.17Å; V187-L191 HydrophobicContact CG1-CD1 4.04Å; V187-L191 HydrophobicContact CG1-CG 4.33Å; V187-L191 VanDerWaalsContact O-CG 3.31Å; V187-L191 WeakPolarHBondContact O-CG 3.41Å; V187-L191 PolarHBondContact O-N 2.89Å; L188-L191 WeakPolarHBondContact O-CB 2.92Å; L188-L191 PolarHBondContact O-N 2.84Å; L191-V193 VanDerWaalsContact C-N 3.34Å; L191-V193 PolarHBondContact O-N 3.46Å; L191-L194 HydrophobicContact CD2-CD1 4.48Å; L191-L194 PolarHBondContact O-N 2.99Å; L191-R195 WeakPolarHBondContact O-CG 3.43Å; L191-R195 PolarHBondContact O-N 3.32Å; L191-I201 HydrophobicContact CB-CD1 4.4Å; L191-I201 HydrophobicContact CD2-CD1 4.31Å; L191-V204 HydrophobicContact CD2-CB 4.33Å; L191-V204 HydrophobicContact CD2-CG1 3.81Å; L191-V219 HydrophobicContact CD1-CG1 4.12Å; L191-N223 HydrophobicContact CD1-CB 4.4Å; L191-L226 HydrophobicContact CD1-CD2 3.94Å; L191-L226 HydrophobicContact CD2-CD1 3.87Å
192	D	97.7	Very high	97.1	Very high	69 Å²	69	45.3 Å²	45.3	37%	0.369	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-42.9	174.1	-66.3	-24.5	0	0	0	111.5	L188 K189 L194 R195 T196	L188-D192 VanDerWaalsContact O-CG 3.3Å; L188-D192 PolarHBondContact O-N 2.83Å; K189-D192 PolarHBondContact O-N 2.91Å; D192-L194 PolarHBondContact O-N 2.88Å; D192-R195 WeakPolarHBondContact O-CB 3.18Å; D192-R195 PolarHBondContact O-N 2.67Å; D192-R195 IonicContact OD1-NH1 2.73Å; D192-R195 PolarHBondContact OD1-NH1 3.23Å; D192-T196 WeakPolarHBondContact O-CG2 3.31Å; D192-T196 PolarHBondContact O-N 3.38Å; D192-T196 VanDerWaalsContact O-N 3.08Å
193	V	98.3	Very high	97.2	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.079	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-45.3	172.7	175.6	0	0	0	0	110.6	I145 V160 A163 F165 K189 A190 L191 R195 T196 Y197	I145-V193 HydrophobicContact CD1-CB 4.33Å; I145-V193 HydrophobicContact CD1-CG1 4.2Å; I145-V193 HydrophobicContact CG2-CG1 4.42Å; I145-V193 HydrophobicContact CG2-CG2 4.46Å; V160-V193 HydrophobicContact CB-CG2 4.27Å; V160-V193 HydrophobicContact CG1-CG2 3.86Å; V160-V193 HydrophobicContact CG2-CG2 3.49Å; V160-V193 VanDerWaalsContact CG2-CG2 3.49Å; A163-V193 HydrophobicContact CB-CG1 3.74Å; F165-V193 HydrophobicContact CE2-CG1 4.09Å; F165-V193 HydrophobicContact CZ-CG1 3.86Å; K189-V193 WeakPolarHBondContact O-CG2 3.42Å; K189-V193 PolarHBondContact O-N 3.12Å; A190-V193 PolarHBondContact O-N 3.38Å; L191-V193 VanDerWaalsContact C-N 3.34Å; L191-V193 PolarHBondContact O-N 3.46Å; V193-R195 VanDerWaalsContact C-N 3.28Å; V193-R195 PolarHBondContact O-N 3.14Å; V193-T196 PolarHBondContact O-N 2.98Å; V193-T196 VanDerWaalsContact O-N 3.11Å; V193-T196 PolarHBondContact O-OG1 3.34Å; V193-Y197 HydrophobicContact CG1-CD2 4.4Å; V193-Y197 HydrophobicContact CG1-CE2 4.23Å; V193-Y197 VanDerWaalsContact O-CD2 3.3Å; V193-Y197 WeakPolarHBondContact O-CD2 3.29Å; V193-Y197 PolarHBondContact O-N 2.88Å
194	L	98.7	Very high	97.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.4	-38.7	177.8	-71.1	173.4	0	0	0	112.1	V120 I145 F165 I169 V174 L176 A190 L191 D192 T196 Y197 N198 V199 V204	V120-L194 HydrophobicContact CG2-CD2 4.39Å; I145-L194 HydrophobicContact CD1-CD2 4.47Å; I145-L194 HydrophobicContact CD1-CG 4.35Å; F165-L194 HydrophobicContact CD1-CD2 4.42Å; F165-L194 HydrophobicContact CE1-CD2 3.81Å; F165-L194 HydrophobicContact CZ-CD2 3.88Å; I169-L194 HydrophobicContact CD1-CD2 3.96Å; V174-L194 HydrophobicContact CG1-CD1 4.25Å; L176-L194 HydrophobicContact CD1-CD1 4.29Å; L176-L194 HydrophobicContact CD2-CD1 4.34Å; A190-L194 WeakPolarHBondContact O-CG 3.46Å; A190-L194 PolarHBondContact O-N 3.12Å; L191-L194 HydrophobicContact CD2-CD1 4.48Å; L191-L194 PolarHBondContact O-N 2.99Å; D192-L194 PolarHBondContact O-N 2.88Å; L194-T196 VanDerWaalsContact C-N 3.34Å; L194-T196 PolarHBondContact O-N 2.83Å; L194-Y197 CarbonylContact O-C 3.5Å; L194-Y197 WeakPolarHBondContact O-CA 3.49Å; L194-Y197 PolarHBondContact O-N 3.06Å; L194-Y197 VanDerWaalsContact O-N 3.09Å; L194-N198 PolarHBondContact O-N 3.15Å; L194-V199 HydrophobicContact CB-CB 4.08Å; L194-V199 HydrophobicContact CB-CG2 4.33Å; L194-V199 HydrophobicContact CD2-CG2 4.28Å; L194-V199 WeakPolarHBondContact O-CB 3.44Å; L194-V199 WeakPolarHBondContact O-CG2 3.42Å; L194-V199 PolarHBondContact O-N 2.86Å; L194-V199 VanDerWaalsContact O-N 3.11Å; L194-V204 HydrophobicContact CD1-CG1 4.22Å; L194-V204 HydrophobicContact CD1-CG2 4.06Å
195	R	97.9	Very high	97.7	Very high	89 Å²	89	41.5 Å²	41.5	34%	0.336	21%	0.211	S	C	.	.	H	α-helix	trans	-62.2	-37.6	173.8	-71.3	176.8	176.1	120.2	-4	113.1	L191 D192 V193 Y197 N198 I201 R222 N223	L191-R195 WeakPolarHBondContact O-CG 3.43Å; L191-R195 PolarHBondContact O-N 3.32Å; D192-R195 WeakPolarHBondContact O-CB 3.18Å; D192-R195 PolarHBondContact O-N 2.67Å; D192-R195 IonicContact OD1-NH1 2.73Å; D192-R195 PolarHBondContact OD1-NH1 3.23Å; V193-R195 VanDerWaalsContact C-N 3.28Å; V193-R195 PolarHBondContact O-N 3.14Å; R195-Y197 PolarHBondContact O-N 3.1Å; R195-Y197 VanDerWaalsContact O-N 3.17Å; R195-N198 WeakPolarHBondContact O-CA 3.41Å; R195-N198 PolarHBondContact O-N 3.43Å; R195-I201 HydrophobicContact CG-CD1 3.81Å; R195-I201 HydrophobicContact CG-CG1 4.27Å; R195-R222 PolarHBondContact NH2-O 2.96Å; R195-N223 PolarHBondContact NH1-OD1 2.84Å; R195-N223 PolarHBondContact NH2-OD1 3.11Å
196	T	97.7	Very high	97.9	Very high	103 Å²	103	38.4 Å²	38.4	63%	0.632	19%	0.192	S	C	*	.	H	α-helix	trans	-65.4	-17.7	176.9	71.7	0	0	0	0	112.6	D192 V193 L194	D192-T196 WeakPolarHBondContact O-CG2 3.31Å; D192-T196 PolarHBondContact O-N 3.38Å; D192-T196 VanDerWaalsContact O-N 3.08Å; V193-T196 PolarHBondContact O-N 2.98Å; V193-T196 VanDerWaalsContact O-N 3.11Å; V193-T196 PolarHBondContact O-OG1 3.34Å; L194-T196 VanDerWaalsContact C-N 3.34Å; L194-T196 PolarHBondContact O-N 2.83Å
197	Y	98	Very high	98.1	Very high	99 Å²	99	37.8 Å²	37.8	39%	0.388	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	21.2	171.6	-72.9	-103.2	0	0	0	112.1	A163 F165 E170 V193 L194 R195 V199	A163-Y197 HydrophobicContact CB-CE2 4.42Å; F165-Y197 AromaticContact CD2-CD1 3.63Å; F165-Y197 HydrophobicContact CD2-CD1 3.63Å; F165-Y197 AromaticContact CD2-CD2 3.98Å; F165-Y197 HydrophobicContact CD2-CD2 3.98Å; F165-Y197 AromaticContact CD2-CE1 3.73Å; F165-Y197 HydrophobicContact CD2-CE1 3.73Å; F165-Y197 HydrophobicContact CD2-CE2 4.1Å; F165-Y197 AromaticContact CD2-CG 3.74Å; F165-Y197 HydrophobicContact CD2-CG 3.74Å; F165-Y197 AromaticContact CD2-CZ 3.95Å; F165-Y197 HydrophobicContact CE2-CD1 4.04Å; F165-Y197 AromaticContact CE2-CD2 3.49Å; F165-Y197 HydrophobicContact CE2-CD2 3.49Å; F165-Y197 VanDerWaalsContact CE2-CD2 3.49Å; F165-Y197 HydrophobicContact CE2-CE1 4.08Å; F165-Y197 AromaticContact CE2-CE2 3.56Å; F165-Y197 HydrophobicContact CE2-CE2 3.56Å; F165-Y197 AromaticContact CE2-CG 3.73Å; F165-Y197 HydrophobicContact CE2-CG 3.73Å; F165-Y197 AromaticContact CE2-CZ 3.84Å; E170-Y197 WeakPolarHBondContact CB-O 3.11Å; V193-Y197 HydrophobicContact CG1-CD2 4.4Å; V193-Y197 HydrophobicContact CG1-CE2 4.23Å; V193-Y197 VanDerWaalsContact O-CD2 3.3Å; V193-Y197 WeakPolarHBondContact O-CD2 3.29Å; V193-Y197 PolarHBondContact O-N 2.88Å; L194-Y197 CarbonylContact O-C 3.5Å; L194-Y197 WeakPolarHBondContact O-CA 3.49Å; L194-Y197 PolarHBondContact O-N 3.06Å; L194-Y197 VanDerWaalsContact O-N 3.09Å; R195-Y197 PolarHBondContact O-N 3.1Å; R195-Y197 VanDerWaalsContact O-N 3.17Å; Y197-V199 PolarHBondContact O-N 3.13Å
198	N	98.1	Very high	98.2	Very high	129 Å²	129	37.8 Å²	37.8	69%	0.69	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	23.4	178.3	-56.7	-48.4	0	0	0	115	E170 L194 R195 P200	E170-N198 HydrophobicContact CB-CB 3.95Å; E170-N198 WeakPolarHBondContact CB-O 3.14Å; L194-N198 PolarHBondContact O-N 3.15Å; R195-N198 WeakPolarHBondContact O-CA 3.41Å; R195-N198 PolarHBondContact O-N 3.43Å; N198-P200 VanDerWaalsContact O-CD 3.27Å; N198-P200 WeakPolarHBondContact O-CD 3.24Å
199	V	98.6	Very high	98.2	Very high	3 Å²	3	37 Å²	37	2%	0.018	18%	0.184	C	C	.	.			trans	-75.7	119.6	175.4	-176.6	0	0	0	0	109.4	I169 V174 L194 Y197 V204	I169-V199 HydrophobicContact CB-CG2 4.38Å; I169-V199 HydrophobicContact CD1-CG2 4.31Å; I169-V199 HydrophobicContact CG1-CG2 3.85Å; I169-V199 HydrophobicContact CG2-CG2 3.92Å; V174-V199 HydrophobicContact CG2-CG1 3.96Å; L194-V199 HydrophobicContact CB-CB 4.08Å; L194-V199 HydrophobicContact CB-CG2 4.33Å; L194-V199 HydrophobicContact CD2-CG2 4.28Å; L194-V199 WeakPolarHBondContact O-CB 3.44Å; L194-V199 WeakPolarHBondContact O-CG2 3.42Å; L194-V199 PolarHBondContact O-N 2.86Å; L194-V199 VanDerWaalsContact O-N 3.11Å; Y197-V199 PolarHBondContact O-N 3.13Å; V199-V204 HydrophobicContact CG1-CG2 3.84Å
200	P	97.9	Very high	98.3	Very high	42 Å²	42	33.4 Å²	33.4	27%	0.273	17%	0.168	S	C	.	.			trans	-66	138.9	175	-18.3	32.4	0	0	0	110.9	E170 N198 E202 N203	E170-P200 WeakPolarHBondContact O-CD 3.31Å; N198-P200 VanDerWaalsContact O-CD 3.27Å; N198-P200 WeakPolarHBondContact O-CD 3.24Å; P200-E202 VanDerWaalsContact C-N 3.28Å; P200-E202 HydrophobicContact CB-CG 3.99Å; P200-E202 VanDerWaalsContact CB-OE2 3.29Å; P200-E202 WeakPolarHBondContact CB-OE2 3.49Å; P200-E202 PolarHBondContact O-N 3.29Å; P200-N203 WeakPolarHBondContact O-CB 3.47Å; P200-N203 PolarHBondContact O-N 3.06Å
201	I	98.2	Very high	98.3	Very high	17 Å²	17	33.4 Å²	33.4	9%	0.087	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-66.7	-32.5	-174.9	-66.8	-58.7	0	0	0	111.9	L191 R195 N203 V204 N223 A225 L226	L191-I201 HydrophobicContact CB-CD1 4.4Å; L191-I201 HydrophobicContact CD2-CD1 4.31Å; R195-I201 HydrophobicContact CG-CD1 3.81Å; R195-I201 HydrophobicContact CG-CG1 4.27Å; I201-N203 PolarHBondContact O-N 2.94Å; I201-V204 PolarHBondContact O-N 3.36Å; I201-N223 HydrophobicContact CG2-CB 3.95Å; I201-A225 HydrophobicContact CG2-CB 4.31Å; I201-L226 HydrophobicContact CG2-CB 3.94Å
202	E	97.4	Very high	98.3	Very high	105 Å²	105	33.9 Å²	33.9	49%	0.491	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-62.5	-16.9	172.6	61.6	-93.3	-138.3	0	0	113.9	P200 A225	P200-E202 VanDerWaalsContact C-N 3.28Å; P200-E202 HydrophobicContact CB-CG 3.99Å; P200-E202 VanDerWaalsContact CB-OE2 3.29Å; P200-E202 WeakPolarHBondContact CB-OE2 3.49Å; P200-E202 PolarHBondContact O-N 3.29Å; E202-A225 HydrophobicContact CB-CB 4.08Å
203	N	97.9	Very high	98.3	Very high	32 Å²	32	30.6 Å²	30.6	17%	0.171	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-91.3	-7.7	174.3	-71.2	-11.6	0	0	0	112.8	K173 V174 P200 I201	K173-N203 WeakPolarHBondContact CA-O 3.39Å; K173-N203 HydrophobicContact CD-CB 3.95Å; K173-N203 PolarHBondContact NZ-OD1 2.98Å; V174-N203 PolarHBondContact N-O 2.83Å; P200-N203 WeakPolarHBondContact O-CB 3.47Å; P200-N203 PolarHBondContact O-N 3.06Å; I201-N203 PolarHBondContact O-N 2.94Å
204	V	98.8	Very high	98.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.5	178.7	-171.4	0	0	0	0	110.1	V174 L176 L191 L194 V199 I201 L226	V174-V204 HydrophobicContact CB-CG2 4.34Å; V174-V204 WeakPolarHBondContact O-CA 3.4Å; L176-V204 HydrophobicContact CB-CG1 3.81Å; L176-V204 HydrophobicContact CD2-CG1 4.25Å; L191-V204 HydrophobicContact CD2-CB 4.33Å; L191-V204 HydrophobicContact CD2-CG1 3.81Å; L194-V204 HydrophobicContact CD1-CG1 4.22Å; L194-V204 HydrophobicContact CD1-CG2 4.06Å; V199-V204 HydrophobicContact CG1-CG2 3.84Å; I201-V204 PolarHBondContact O-N 3.36Å; V204-L226 HydrophobicContact CB-CD1 3.73Å; V204-L226 HydrophobicContact CG1-CD1 3.74Å; V204-L226 WeakPolarHBondContact O-CD1 3.26Å
205	I	98.8	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.4	171.3	-58.2	153.9	0	0	0	106.4	Q92 L93 V174 L175 L176 L207 R227 V229	Q92-I205 HydrophobicContact CB-CD1 3.69Å; L93-I205 HydrophobicContact CD2-CD1 4.18Å; V174-I205 PolarHBondContact O-N 2.96Å; L175-I205 CarbonylContact C-O 3.55Å; L175-I205 WeakPolarHBondContact CA-O 3.15Å; L175-I205 HydrophobicContact CD2-CB 3.87Å; L175-I205 HydrophobicContact CD2-CD1 3.83Å; L175-I205 HydrophobicContact CD2-CG1 4.47Å; L175-I205 HydrophobicContact CD2-CG2 4.22Å; L176-I205 PolarHBondContact N-O 3.39Å; I205-L207 HydrophobicContact CG2-CD2 3.88Å; I205-R227 CarbonylContact C-O 3.6Å; I205-R227 WeakPolarHBondContact CA-O 3.49Å; I205-R227 HydrophobicContact CG1-CB 4.35Å; I205-R227 HydrophobicContact CG2-CB 4.48Å; I205-V229 HydrophobicContact CG2-CG2 3.7Å
206	L	98.9	Very high	98.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	118.6	176.5	174.7	66.5	0	0	0	109.5	L176 L181 V187 L226 R227 I228 V229	L176-L206 HydrophobicContact CB-CD1 4.43Å; L176-L206 HydrophobicContact CD2-CD1 4.1Å; L176-L206 HydrophobicContact CG-CD1 4.11Å; L176-L206 CarbonylContact O-C 3.58Å; L176-L206 WeakPolarHBondContact O-CA 3.2Å; L181-L206 HydrophobicContact CD1-CD2 4.15Å; L181-L206 HydrophobicContact CD2-CD2 3.95Å; V187-L206 HydrophobicContact CG1-CD1 3.91Å; V187-L206 HydrophobicContact CG1-CD2 3.82Å; V187-L206 HydrophobicContact CG1-CG 4.49Å; V187-L206 HydrophobicContact CG2-CD1 4.07Å; L206-L226 HydrophobicContact CB-CD2 4.29Å; L206-L226 HydrophobicContact CD2-CD2 4.49Å; L206-R227 PolarHBondContact N-O 3.14Å; L206-I228 HydrophobicContact CB-CG1 4.25Å; L206-I228 HydrophobicContact CD2-CD1 4.16Å; L206-I228 HydrophobicContact CD2-CG1 4.02Å; L206-I228 HydrophobicContact CD2-CG2 4.28Å; L206-I228 CarbonylContact O-C 3.52Å; L206-I228 WeakPolarHBondContact O-CA 3.44Å; L206-V229 PolarHBondContact O-N 3.45Å
207	L	98.9	Very high	98.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.5	171.9	-52.1	-171.3	0	0	0	109.4	V85 V86 M129 L175 L176 M177 Y178 I205 V229	V85-L207 HydrophobicContact CG1-CB 4.16Å; V86-L207 HydrophobicContact CG2-CD1 4.31Å; M129-L207 HydrophobicContact CE-CB 3.85Å; L175-L207 HydrophobicContact CB-CD1 4Å; L175-L207 HydrophobicContact CB-CG 4.37Å; L175-L207 HydrophobicContact CD1-CD1 4.26Å; L175-L207 HydrophobicContact CD2-CD1 4.46Å; L175-L207 HydrophobicContact CD2-CD2 4.46Å; L175-L207 HydrophobicContact CG-CD1 4.46Å; L176-L207 PolarHBondContact O-N 2.66Å; M177-L207 HydrophobicContact CG-CB 4.41Å; M177-L207 HydrophobicContact CG-CD1 4.26Å; Y178-L207 PolarHBondContact N-O 3.45Å; I205-L207 HydrophobicContact CG2-CD2 3.88Å; L207-V229 HydrophobicContact CD2-CB 3.74Å; L207-V229 HydrophobicContact CD2-CG1 4.44Å; L207-V229 HydrophobicContact CD2-CG2 3.89Å
208	T	98.8	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.132	C	C	.	.			trans	-138.8	153.5	177.4	-164.8	0	0	0	0	110	V85 Y178 P179 L181 A211 I228 V229 T230	V85-T208 WeakPolarHBondContact CG1-O 3.27Å; Y178-T208 WeakPolarHBondContact O-CA 3.41Å; Y178-T208 WeakPolarHBondContact O-CB 3.44Å; Y178-T208 PolarHBondContact O-OG1 3.37Å; P179-T208 PolarHBondContact O-OG1 2.95Å; P179-T208 VanDerWaalsContact O-OG1 3.09Å; L181-T208 HydrophobicContact CB-CG2 4.22Å; L181-T208 PolarHBondContact N-OG1 3.24Å; T208-A211 HydrophobicContact CG2-CB 4.21Å; T208-I228 HydrophobicContact CG2-CG2 4.17Å; T208-V229 PolarHBondContact N-O 2.83Å; T208-T230 VanDerWaalsContact O-CA 3.26Å; T208-T230 WeakPolarHBondContact O-CA 3.29Å
209	L	98.8	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-89.1	-44.6	177.5	-53.4	-177.1	0	0	0	109.9	L81 I82 V85 M129 P179 T230 S231 E232 F241	L81-L209 HydrophobicContact CD2-CB 4.38Å; L81-L209 HydrophobicContact CG-CD2 4.38Å; I82-L209 HydrophobicContact CB-CD2 4.49Å; I82-L209 HydrophobicContact CD1-CD1 4.49Å; I82-L209 HydrophobicContact CG1-CD1 3.75Å; I82-L209 HydrophobicContact CG1-CD2 3.91Å; I82-L209 HydrophobicContact CG1-CG 4.36Å; V85-L209 HydrophobicContact CB-CD2 4.04Å; V85-L209 HydrophobicContact CG1-CD2 4.44Å; V85-L209 HydrophobicContact CG2-CD2 3.77Å; M129-L209 HydrophobicContact CE-CD2 4.11Å; P179-L209 HydrophobicContact CB-CD1 4.1Å; P179-L209 HydrophobicContact CB-CG 4.12Å; P179-L209 WeakPolarHBondContact O-CA 3.3Å; P179-L209 WeakPolarHBondContact O-CB 3.44Å; P179-L209 PolarHBondContact O-N 3.38Å; L209-T230 PolarHBondContact O-OG1 3.31Å; L209-S231 WeakPolarHBondContact O-CB 3.22Å; L209-S231 PolarHBondContact O-N 3.25Å; L209-S231 PolarHBondContact O-OG 3.4Å; L209-E232 PolarHBondContact O-N 2.73Å; L209-F241 HydrophobicContact CD1-CD2 4.42Å; L209-F241 HydrophobicContact CD1-CE1 4.42Å; L209-F241 HydrophobicContact CD1-CE2 3.57Å; L209-F241 HydrophobicContact CD1-CZ 3.58Å
210	F	98.7	Very high	98.1	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.6	-174.1	-57.7	-84.1	0	0	0	109.8	Q61 I64 L81 P179 I180 L181 E232 V237 P238	Q61-F210 HydrophobicContact CB-CE1 4.23Å; Q61-F210 HydrophobicContact CB-CZ 4.49Å; Q61-F210 HydrophobicContact CG-CE1 3.89Å; Q61-F210 HydrophobicContact CG-CZ 4.17Å; I64-F210 HydrophobicContact CB-CZ 4.32Å; I64-F210 HydrophobicContact CD1-CE2 4.36Å; I64-F210 HydrophobicContact CD1-CZ 4.17Å; I64-F210 HydrophobicContact CG2-CE2 3.83Å; I64-F210 HydrophobicContact CG2-CZ 3.87Å; L81-F210 HydrophobicContact CD2-CE2 4.07Å; L81-F210 HydrophobicContact CD2-CZ 3.78Å; P179-F210 PolarHBondContact O-N 2.85Å; P179-F210 VanDerWaalsContact O-N 3.13Å; I180-F210 HydrophobicContact CD1-CB 4.04Å; I180-F210 HydrophobicContact CD1-CD2 3.54Å; I180-F210 HydrophobicContact CD1-CE2 4.47Å; I180-F210 HydrophobicContact CD1-CG 4.19Å; L181-F210 PolarHBondContact N-O 3.18Å; F210-E232 HydrophobicContact CD1-CB 4.08Å; F210-E232 WeakPolarHBondContact CD1-OE2 3.49Å; F210-E232 WeakPolarHBondContact CE1-OE2 3.25Å; F210-V237 HydrophobicContact CB-CB 4.27Å; F210-V237 HydrophobicContact CB-CG1 4.17Å; F210-P238 HydrophobicContact CB-CG 4.34Å; F210-P238 HydrophobicContact CD1-CG 4.08Å; F210-P238 HydrophobicContact CD2-CG 3.47Å; F210-P238 VanDerWaalsContact CD2-CG 3.47Å; F210-P238 HydrophobicContact CE1-CG 4.24Å; F210-P238 HydrophobicContact CE2-CG 3.68Å; F210-P238 HydrophobicContact CG-CG 3.69Å; F210-P238 HydrophobicContact CZ-CG 4.06Å
211	A	98.6	Very high	98	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	143.1	176.1	0	0	0	0	0	111.6	L181 T208 V216 E232 I233 H234	L181-A211 HydrophobicContact CB-CB 3.97Å; L181-A211 HydrophobicContact CD2-CB 4.05Å; L181-A211 WeakPolarHBondContact O-CA 3.47Å; T208-A211 HydrophobicContact CG2-CB 4.21Å; A211-V216 HydrophobicContact CB-CG2 3.75Å; A211-E232 PolarHBondContact N-O 3.37Å; A211-I233 HydrophobicContact CB-CG1 4.48Å; A211-I233 CarbonylContact O-C 3.51Å; A211-I233 VanDerWaalsContact O-CA 3.24Å; A211-I233 WeakPolarHBondContact O-CA 3.43Å; A211-H234 PolarHBondContact O-N 3.48Å
212	S	97.4	Very high	98	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.063	14%	0.136	C	C	.	.			trans	-85.7	148.6	166.4	76	0	0	0	0	110.3	L181 G182 Q214 S215 V216 H234	L181-S212 PolarHBondContact O-N 2.86Å; G182-S212 PolarHBondContact O-OG 3.32Å; S212-Q214 VanDerWaalsContact C-N 3.29Å; S212-Q214 PolarHBondContact O-N 2.93Å; S212-S215 PolarHBondContact N-OG 2.67Å; S212-S215 PolarHBondContact O-N 3.1Å; S212-S215 VanDerWaalsContact O-N 3.1Å; S212-S215 PolarHBondContact O-OG 3.29Å; S212-S215 WeakPolarHBondContact OG-CB 3.22Å; S212-S215 PolarHBondContact OG-N 3.15Å; S212-S215 PolarHBondContact OG-OG 2.65Å; S212-V216 WeakPolarHBondContact O-CG2 3.44Å; S212-V216 PolarHBondContact O-N 3.44Å; S212-V216 VanDerWaalsContact O-N 3.14Å; S212-H234 WeakPolarHBondContact CA-O 3.43Å
213	P	97.6	Very high	98	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-54.1	-46.7	176	-22.7	30.7	0	0	0	112	E36 V37 V40 S215 V216 I217 I233 P235	E36-P213 HydrophobicContact CB-CG 4.47Å; E36-P213 HydrophobicContact CG-CB 3.7Å; E36-P213 HydrophobicContact CG-CG 4.02Å; E36-P213 WeakPolarHBondContact OE1-CB 3.35Å; V37-P213 HydrophobicContact CG2-CG 3.98Å; V40-P213 HydrophobicContact CG2-CB 3.69Å; P213-S215 VanDerWaalsContact C-N 3.3Å; P213-S215 PolarHBondContact O-N 2.8Å; P213-V216 WeakPolarHBondContact O-CB 3.42Å; P213-V216 PolarHBondContact O-N 3.21Å; P213-V216 VanDerWaalsContact O-N 3.13Å; P213-I217 WeakPolarHBondContact O-CG1 3.36Å; P213-I217 PolarHBondContact O-N 3.37Å; P213-I233 HydrophobicContact CB-CG2 4.32Å; P213-I233 HydrophobicContact CG-CG2 3.89Å; P213-P235 HydrophobicContact CG-CG 4.14Å
214	Q	96	Very high	98	Very high	114 Å²	114	26.2 Å²	26.2	53%	0.533	13%	0.132	S	C	.	.	H	α-helix	trans	-58.2	-39.3	177.7	-174.8	58.7	25	0	0	113.2	S212 N218	S212-Q214 VanDerWaalsContact C-N 3.29Å; S212-Q214 PolarHBondContact O-N 2.93Å; Q214-N218 WeakPolarHBondContact O-CB 3.44Å; Q214-N218 PolarHBondContact O-N 3.46Å
215	S	97.3	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.7	-38	178	73	0	0	0	0	112.7	L181 G182 S212 P213 N218 V219	L181-S215 WeakPolarHBondContact CG-OG 3.28Å; L181-S215 WeakPolarHBondContact O-CB 3.35Å; L181-S215 PolarHBondContact O-OG 2.95Å; G182-S215 WeakPolarHBondContact O-CB 3.42Å; S212-S215 PolarHBondContact N-OG 2.67Å; S212-S215 PolarHBondContact O-N 3.1Å; S212-S215 VanDerWaalsContact O-N 3.1Å; S212-S215 PolarHBondContact O-OG 3.29Å; S212-S215 WeakPolarHBondContact OG-CB 3.22Å; S212-S215 PolarHBondContact OG-N 3.15Å; S212-S215 PolarHBondContact OG-OG 2.65Å; P213-S215 VanDerWaalsContact C-N 3.3Å; P213-S215 PolarHBondContact O-N 2.8Å; S215-N218 PolarHBondContact O-N 3.45Å; S215-V219 WeakPolarHBondContact O-CB 3.33Å; S215-V219 VanDerWaalsContact O-CG2 3.3Å; S215-V219 WeakPolarHBondContact O-CG2 3.33Å; S215-V219 PolarHBondContact O-N 3.38Å
216	V	98.4	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-46.6	177	174.8	0	0	0	0	109.6	V40 I48 L181 A211 S212 P213 N218 V219 L220 I228 I233	V40-V216 HydrophobicContact CG1-CB 3.93Å; V40-V216 HydrophobicContact CG1-CG1 3.51Å; I48-V216 HydrophobicContact CD1-CG1 3.56Å; I48-V216 HydrophobicContact CG1-CG1 4.2Å; L181-V216 HydrophobicContact CD2-CG2 4.36Å; A211-V216 HydrophobicContact CB-CG2 3.75Å; S212-V216 WeakPolarHBondContact O-CG2 3.44Å; S212-V216 PolarHBondContact O-N 3.44Å; S212-V216 VanDerWaalsContact O-N 3.14Å; P213-V216 WeakPolarHBondContact O-CB 3.42Å; P213-V216 PolarHBondContact O-N 3.21Å; P213-V216 VanDerWaalsContact O-N 3.13Å; V216-N218 VanDerWaalsContact C-N 3.34Å; V216-N218 PolarHBondContact O-N 3.06Å; V216-V219 PolarHBondContact O-N 3.31Å; V216-L220 HydrophobicContact CG1-CD1 3.69Å; V216-L220 HydrophobicContact CG1-CG 4.33Å; V216-L220 WeakPolarHBondContact O-CB 3.49Å; V216-L220 PolarHBondContact O-N 3.5Å; V216-I228 HydrophobicContact CG1-CD1 4.34Å; V216-I233 HydrophobicContact CG2-CD1 4.31Å
217	I	97.5	Very high	97.9	Very high	48 Å²	48	31.2 Å²	31.2	25%	0.246	16%	0.16	C	C	.	.	H	α-helix	trans	-56.2	-50.2	174.7	-64.7	166.3	0	0	0	110.3	V40 F44 P213 V219 T221	V40-I217 HydrophobicContact CG2-CD1 3.68Å; V40-I217 HydrophobicContact CG2-CG1 3.63Å; F44-I217 HydrophobicContact CE2-CB 4.44Å; F44-I217 HydrophobicContact CE2-CG1 4.06Å; P213-I217 WeakPolarHBondContact O-CG1 3.36Å; P213-I217 PolarHBondContact O-N 3.37Å; I217-V219 PolarHBondContact O-N 2.97Å; I217-T221 WeakPolarHBondContact O-CB 3.46Å; I217-T221 PolarHBondContact O-N 3.3Å; I217-T221 PolarHBondContact O-OG1 2.95Å
218	N	96.4	Very high	97.9	Very high	35 Å²	35	31.2 Å²	31.2	19%	0.187	16%	0.16	C	C	.	.	H	α-helix	trans	-62.1	-43.1	-177.4	-172.9	23.1	0	0	0	112.1	T183 L188 Q214 S215 V216 R222	T183-N218 PolarHBondContact O-ND2 3.07Å; T183-N218 VanDerWaalsContact O-ND2 3.1Å; L188-N218 WeakPolarHBondContact CD1-ND2 3.38Å; Q214-N218 WeakPolarHBondContact O-CB 3.44Å; Q214-N218 PolarHBondContact O-N 3.46Å; S215-N218 PolarHBondContact O-N 3.45Å; V216-N218 VanDerWaalsContact C-N 3.34Å; V216-N218 PolarHBondContact O-N 3.06Å; N218-R222 PolarHBondContact OD1-NE 3.26Å
219	V	98.5	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.4	-52.1	179.7	172.8	0	0	0	0	111.1	L181 V187 L188 L191 S215 V216 I217 R222 N223 L226 I228	L181-V219 HydrophobicContact CD1-CG2 4.28Å; V187-V219 HydrophobicContact CG1-CG1 4.48Å; V187-V219 HydrophobicContact CG1-CG2 4.27Å; L188-V219 HydrophobicContact CD2-CG2 4.33Å; L188-V219 HydrophobicContact CG-CG2 4.23Å; L191-V219 HydrophobicContact CD1-CG1 4.12Å; S215-V219 WeakPolarHBondContact O-CB 3.33Å; S215-V219 VanDerWaalsContact O-CG2 3.3Å; S215-V219 WeakPolarHBondContact O-CG2 3.33Å; S215-V219 PolarHBondContact O-N 3.38Å; V216-V219 PolarHBondContact O-N 3.31Å; I217-V219 PolarHBondContact O-N 2.97Å; V219-R222 PolarHBondContact O-N 2.89Å; V219-N223 VanDerWaalsContact O-CB 3.28Å; V219-N223 WeakPolarHBondContact O-CB 3.37Å; V219-N223 PolarHBondContact O-N 3.39Å; V219-N223 PolarHBondContact O-ND2 3Å; V219-L226 HydrophobicContact CG1-CD2 3.27Å; V219-I228 HydrophobicContact CG1-CD1 4.25Å
220	L	98.5	Very high	97.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-74.5	-30	-173.5	-67.9	179.6	0	0	0	113.5	F44 H47 I48 V216 R222 N223 P224 L226 I228	F44-L220 HydrophobicContact CB-CD1 3.59Å; F44-L220 HydrophobicContact CD1-CB 3.65Å; F44-L220 HydrophobicContact CD1-CD1 3.74Å; F44-L220 HydrophobicContact CD1-CG 4.35Å; F44-L220 HydrophobicContact CD2-CD1 4.41Å; F44-L220 HydrophobicContact CE1-CB 3.62Å; F44-L220 HydrophobicContact CG-CB 4.26Å; F44-L220 HydrophobicContact CG-CD1 3.67Å; F44-L220 HydrophobicContact CZ-CB 4.2Å; H47-L220 HydrophobicContact CB-CD1 4.05Å; H47-L220 HydrophobicContact CB-CD2 4.09Å; I48-L220 HydrophobicContact CD1-CD1 4.15Å; I48-L220 HydrophobicContact CG1-CD1 3.86Å; V216-L220 HydrophobicContact CG1-CD1 3.69Å; V216-L220 HydrophobicContact CG1-CG 4.33Å; V216-L220 WeakPolarHBondContact O-CB 3.49Å; V216-L220 PolarHBondContact O-N 3.5Å; L220-R222 VanDerWaalsContact C-N 3.27Å; L220-R222 PolarHBondContact O-N 3.13Å; L220-N223 CarbonylContact O-C 3.51Å; L220-N223 PolarHBondContact O-N 3Å; L220-P224 VanDerWaalsContact O-CA 3.25Å; L220-P224 WeakPolarHBondContact O-CA 3.49Å; L220-P224 VanDerWaalsContact O-N 3.09Å; L220-L226 HydrophobicContact CD2-CB 4.07Å; L220-L226 HydrophobicContact CD2-CD2 4.37Å; L220-I228 HydrophobicContact CD1-CD1 4.05Å; L220-I228 HydrophobicContact CD2-CD1 3.82Å; L220-I228 HydrophobicContact CD2-CG1 4.05Å; L220-I228 HydrophobicContact CG-CD1 3.74Å; L220-I228 HydrophobicContact CG-CG1 4.47Å
221	T	97.2	Very high	97.9	Very high	86 Å²	86	31.2 Å²	31.2	53%	0.528	16%	0.16	S	C	.	.	H	α-helix	trans	-63	-36.7	174.1	-57.2	0	0	0	0	111.3	I217	I217-T221 WeakPolarHBondContact O-CB 3.46Å; I217-T221 PolarHBondContact O-N 3.3Å; I217-T221 PolarHBondContact O-OG1 2.95Å
222	R	97.4	Very high	97.8	Very high	167 Å²	167	32.7 Å²	32.7	63%	0.63	17%	0.167	S	C	*	.	H	α-helix	trans	-86.1	-17.1	177.2	-64.5	177.2	-173.3	-110.3	-0.8	113.3	L188 R195 N218 V219 L220	L188-R222 HydrophobicContact CD2-CB 4.02Å; L188-R222 HydrophobicContact CD2-CG 4.48Å; R195-R222 PolarHBondContact NH2-O 2.96Å; N218-R222 PolarHBondContact OD1-NE 3.26Å; V219-R222 PolarHBondContact O-N 2.89Å; L220-R222 VanDerWaalsContact C-N 3.27Å; L220-R222 PolarHBondContact O-N 3.13Å
223	N	98.1	Very high	97.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.167	C	C	.	.			trans	-139.1	65.6	-173.5	-54.4	-90.3	0	0	0	109.8	L188 L191 R195 I201 V219 L220 A225 L226	L188-N223 WeakPolarHBondContact CD2-ND2 3.41Å; L191-N223 HydrophobicContact CD1-CB 4.4Å; R195-N223 PolarHBondContact NH1-OD1 2.84Å; R195-N223 PolarHBondContact NH2-OD1 3.11Å; I201-N223 HydrophobicContact CG2-CB 3.95Å; V219-N223 VanDerWaalsContact O-CB 3.28Å; V219-N223 WeakPolarHBondContact O-CB 3.37Å; V219-N223 PolarHBondContact O-N 3.39Å; V219-N223 PolarHBondContact O-ND2 3Å; L220-N223 CarbonylContact O-C 3.51Å; L220-N223 PolarHBondContact O-N 3Å; N223-A225 PolarHBondContact O-N 3.36Å; N223-A225 VanDerWaalsContact O-N 3.11Å; N223-L226 HydrophobicContact CB-CB 3.91Å; N223-L226 HydrophobicContact CB-CD2 4.5Å; N223-L226 VanDerWaalsContact O-CB 3.24Å; N223-L226 WeakPolarHBondContact O-CB 3.36Å; N223-L226 PolarHBondContact O-N 2.98Å
224	P	96.7	Very high	97.8	Very high	88 Å²	88	35.5 Å²	35.5	57%	0.571	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-19	-170.8	25	-35	0	0	0	113.7	H47 L220	H47-P224 PolarHBondContact CE1-O 3.08Å; H47-P224 PolarHBondContact ND1-O 3.44Å; H47-P224 VanDerWaalsContact ND1-O 3.11Å; H47-P224 PolarHBondContact NE2-O 3.23Å; L220-P224 VanDerWaalsContact O-CA 3.25Å; L220-P224 WeakPolarHBondContact O-CA 3.49Å; L220-P224 VanDerWaalsContact O-N 3.09Å
225	A	97.3	Very high	97.7	Very high	43 Å²	43	31.8 Å²	31.8	36%	0.355	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.9	176.1	0	0	0	0	0	114.1	I201 E202 N223	I201-A225 HydrophobicContact CG2-CB 4.31Å; E202-A225 HydrophobicContact CB-CB 4.08Å; N223-A225 PolarHBondContact O-N 3.36Å; N223-A225 VanDerWaalsContact O-N 3.11Å
226	L	98.6	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.			trans	-68.4	143.4	-179.7	-176.7	74.8	0	0	0	110.2	H47 L191 I201 V204 L206 V219 L220 N223 I228	H47-L226 WeakPolarHBondContact CB-O 3.46Å; L191-L226 HydrophobicContact CD1-CD2 3.94Å; L191-L226 HydrophobicContact CD2-CD1 3.87Å; I201-L226 HydrophobicContact CG2-CB 3.94Å; V204-L226 HydrophobicContact CB-CD1 3.73Å; V204-L226 HydrophobicContact CG1-CD1 3.74Å; V204-L226 WeakPolarHBondContact O-CD1 3.26Å; L206-L226 HydrophobicContact CB-CD2 4.29Å; L206-L226 HydrophobicContact CD2-CD2 4.49Å; V219-L226 HydrophobicContact CG1-CD2 3.27Å; L220-L226 HydrophobicContact CD2-CB 4.07Å; L220-L226 HydrophobicContact CD2-CD2 4.37Å; N223-L226 HydrophobicContact CB-CB 3.91Å; N223-L226 HydrophobicContact CB-CD2 4.5Å; N223-L226 VanDerWaalsContact O-CB 3.24Å; N223-L226 WeakPolarHBondContact O-CB 3.36Å; N223-L226 PolarHBondContact O-N 2.98Å; L226-I228 HydrophobicContact CD2-CD1 4.42Å; L226-I228 HydrophobicContact CD2-CG1 4.05Å; L226-I228 HydrophobicContact CG-CG1 4.46Å
227	R	98.6	Very high	97.4	Very high	62 Å²	62	38.1 Å²	38.1	23%	0.234	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.1	165.4	-75.3	-177.5	-80.3	158.8	-0.9	110.5	H47 Q92 I205 L206	H47-R227 CarbonylContact O-C 3.56Å; H47-R227 WeakPolarHBondContact O-CA 3.23Å; Q92-R227 PolarHBondContact O-NH1 3.34Å; I205-R227 CarbonylContact C-O 3.6Å; I205-R227 WeakPolarHBondContact CA-O 3.49Å; I205-R227 HydrophobicContact CG1-CB 4.35Å; I205-R227 HydrophobicContact CG2-CB 4.48Å; L206-R227 PolarHBondContact N-O 3.14Å
228	I	98.8	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.2	175.8	-57.8	-178.6	0	0	0	108.2	H47 I48 I49 L206 T208 V216 V219 L220 L226	H47-I228 PolarHBondContact O-N 2.77Å; I48-I228 WeakPolarHBondContact CA-O 3.31Å; I49-I228 PolarHBondContact N-O 3.25Å; L206-I228 HydrophobicContact CB-CG1 4.25Å; L206-I228 HydrophobicContact CD2-CD1 4.16Å; L206-I228 HydrophobicContact CD2-CG1 4.02Å; L206-I228 HydrophobicContact CD2-CG2 4.28Å; L206-I228 CarbonylContact O-C 3.52Å; L206-I228 WeakPolarHBondContact O-CA 3.44Å; T208-I228 HydrophobicContact CG2-CG2 4.17Å; V216-I228 HydrophobicContact CG1-CD1 4.34Å; V219-I228 HydrophobicContact CG1-CD1 4.25Å; L220-I228 HydrophobicContact CD1-CD1 4.05Å; L220-I228 HydrophobicContact CD2-CD1 3.82Å; L220-I228 HydrophobicContact CD2-CG1 4.05Å; L220-I228 HydrophobicContact CG-CD1 3.74Å; L220-I228 HydrophobicContact CG-CG1 4.47Å; L226-I228 HydrophobicContact CD2-CD1 4.42Å; L226-I228 HydrophobicContact CD2-CG1 4.05Å; L226-I228 HydrophobicContact CG-CG1 4.46Å
229	V	98.9	Very high	96.9	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.7	168.1	-175.1	0	0	0	0	107.5	I49 V85 E88 Q92 I205 L206 L207 T208	I49-V229 HydrophobicContact CB-CG2 4.17Å; I49-V229 HydrophobicContact CD1-CG2 4.31Å; I49-V229 WeakPolarHBondContact O-CA 3.41Å; V85-V229 HydrophobicContact CG1-CG1 4.22Å; E88-V229 HydrophobicContact CB-CG1 3.92Å; E88-V229 HydrophobicContact CG-CG1 3.75Å; Q92-V229 HydrophobicContact CG-CG2 4.32Å; I205-V229 HydrophobicContact CG2-CG2 3.7Å; L206-V229 PolarHBondContact O-N 3.45Å; L207-V229 HydrophobicContact CD2-CB 3.74Å; L207-V229 HydrophobicContact CD2-CG1 4.44Å; L207-V229 HydrophobicContact CD2-CG2 3.89Å; T208-V229 PolarHBondContact N-O 2.83Å
230	T	98.8	Very high	96.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	153.7	179.7	-170.6	0	0	0	0	112.6	I49 L50 L51 T208 L209 E232 I233	I49-T230 PolarHBondContact O-N 2.81Å; L50-T230 WeakPolarHBondContact CA-O 3.49Å; L50-T230 HydrophobicContact CD1-CG2 3.82Å; L51-T230 PolarHBondContact N-O 2.87Å; T208-T230 VanDerWaalsContact O-CA 3.26Å; T208-T230 WeakPolarHBondContact O-CA 3.29Å; L209-T230 PolarHBondContact O-OG1 3.31Å; T230-E232 PolarHBondContact OG1-N 3.43Å; T230-E232 PolarHBondContact OG1-O 3.32Å; T230-I233 HydrophobicContact CG2-CD1 4.44Å; T230-I233 HydrophobicContact CG2-CG1 3.85Å
231	S	98.6	Very high	96.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-84.7	-26	172.1	86	0	0	0	0	112.8	Q53 Q61 L209	Q53-S231 PolarHBondContact NE2-O 3.23Å; Q61-S231 PolarHBondContact NE2-O 3.3Å; Q61-S231 VanDerWaalsContact NE2-O 3.09Å; Q61-S231 PolarHBondContact NE2-OG 2.85Å; L209-S231 WeakPolarHBondContact O-CB 3.22Å; L209-S231 PolarHBondContact O-N 3.25Å; L209-S231 PolarHBondContact O-OG 3.4Å
232	E	97.9	Very high	95.9	Very high	31 Å²	31	41 Å²	41	15%	0.145	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.1	-176.6	-162.5	-177.8	-164.4	0	0	110.5	R65 L209 F210 A211 T230 H234	R65-E232 IonicContact CZ-OE2 2.84Å; R65-E232 IonicContact NE-OE2 3.88Å; R65-E232 PolarHBondContact NE-OE2 2.88Å; R65-E232 IonicContact NH2-OE1 2.65Å; R65-E232 IonicContact NH2-OE2 3.91Å; R65-E232 PolarHBondContact NH2-OE2 3.29Å; L209-E232 PolarHBondContact O-N 2.73Å; F210-E232 HydrophobicContact CD1-CB 4.08Å; F210-E232 WeakPolarHBondContact CD1-OE2 3.49Å; F210-E232 WeakPolarHBondContact CE1-OE2 3.25Å; A211-E232 PolarHBondContact N-O 3.37Å; T230-E232 PolarHBondContact OG1-N 3.43Å; T230-E232 PolarHBondContact OG1-O 3.32Å; E232-H234 HydrophobicContact CG-CB 3.96Å; E232-H234 IonicContact OE1-CD2 2.74Å; E232-H234 IonicContact OE1-CG 3.73Å
233	I	98.1	Very high	95.6	Very high	11 Å²	11	37.1 Å²	37.1	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	112.8	159.6	-56.9	-179.5	0	0	0	107.1	V37 V40 L41 I48 A211 P213 V216 T230	V37-I233 HydrophobicContact CG1-CB 4.26Å; V37-I233 HydrophobicContact CG1-CG2 4.39Å; V37-I233 HydrophobicContact CG2-CG2 4.23Å; V37-I233 WeakPolarHBondContact CG2-O 3.19Å; V40-I233 HydrophobicContact CG1-CD1 4.35Å; L41-I233 HydrophobicContact CD2-CD1 3.85Å; I48-I233 HydrophobicContact CD1-CD1 4.17Å; I48-I233 HydrophobicContact CG2-CD1 4.03Å; A211-I233 HydrophobicContact CB-CG1 4.48Å; A211-I233 CarbonylContact O-C 3.51Å; A211-I233 VanDerWaalsContact O-CA 3.24Å; A211-I233 WeakPolarHBondContact O-CA 3.43Å; P213-I233 HydrophobicContact CB-CG2 4.32Å; P213-I233 HydrophobicContact CG-CG2 3.89Å; V216-I233 HydrophobicContact CG2-CD1 4.31Å; T230-I233 HydrophobicContact CG2-CD1 4.44Å; T230-I233 HydrophobicContact CG2-CG1 3.85Å
234	H	95.9	Very high	95.3	Very high	59 Å²	59	40.2 Å²	40.2	27%	0.273	22%	0.219	S	C	.	.			trans	-145.7	136.6	-177.8	-171.4	-87.4	0	0	0	110.5	A211 S212 E232 I236	A211-H234 PolarHBondContact O-N 3.48Å; S212-H234 WeakPolarHBondContact CA-O 3.43Å; E232-H234 HydrophobicContact CG-CB 3.96Å; E232-H234 IonicContact OE1-CD2 2.74Å; E232-H234 IonicContact OE1-CG 3.73Å; H234-I236 PolarHBondContact ND1-N 2.85Å; H234-I236 PolarHBondContact ND1-O 2.97Å; H234-I236 PolarHBondContact O-N 3.15Å; H234-I236 VanDerWaalsContact O-N 3.15Å
235	P	93.6	Very high	95.3	Very high	35 Å²	35	37.2 Å²	37.2	23%	0.227	20%	0.197	C	C	.	.	S	Bend	trans	-55.4	-34.9	-177.9	-32.1	41	0	0	0	114.1	H33 P213	H33-P235 HydrophobicContact CB-CG 3.86Å; H33-P235 WeakPolarHBondContact ND1-CG 3.22Å; P213-P235 HydrophobicContact CG-CG 4.14Å
236	I	93.8	Very high	95.1	Very high	109 Å²	109	38.7 Å²	38.7	56%	0.559	20%	0.195	S	C	*	.	S	Bend	trans	-100.5	107.2	175.3	-52.3	173.2	0	0	0	109.2	R65 H234	R65-I236 VanDerWaalsContact CZ-O 3.31Å; R65-I236 PolarHBondContact NH1-O 2.88Å; R65-I236 PolarHBondContact NH2-O 3.44Å; H234-I236 PolarHBondContact ND1-N 2.85Å; H234-I236 PolarHBondContact ND1-O 2.97Å; H234-I236 PolarHBondContact O-N 3.15Å; H234-I236 VanDerWaalsContact O-N 3.15Å
237	V	96.3	Very high	94.6	Very high	25 Å²	25	40.4 Å²	40.4	15%	0.152	21%	0.213	C	C	.	.			trans	-94.6	148.6	173.5	-61	0	0	0	0	111.2	I180 F210 S239	I180-V237 HydrophobicContact CG2-CB 3.93Å; I180-V237 HydrophobicContact CG2-CG2 3.62Å; F210-V237 HydrophobicContact CB-CB 4.27Å; F210-V237 HydrophobicContact CB-CG1 4.17Å; V237-S239 VanDerWaalsContact C-N 3.31Å; V237-S239 PolarHBondContact O-N 2.98Å
238	P	95.3	Very high	93.7	Very high	18 Å²	18	42 Å²	42	12%	0.117	23%	0.229	C	C	.	.			trans	-73.5	82.3	178.3	28.4	-31.1	0	0	0	111	I64 I180 F210 H240 F241	I64-P238 HydrophobicContact CG2-CG 4.3Å; I180-P238 HydrophobicContact CD1-CG 3.83Å; F210-P238 HydrophobicContact CB-CG 4.34Å; F210-P238 HydrophobicContact CD1-CG 4.08Å; F210-P238 HydrophobicContact CD2-CG 3.47Å; F210-P238 VanDerWaalsContact CD2-CG 3.47Å; F210-P238 HydrophobicContact CE1-CG 4.24Å; F210-P238 HydrophobicContact CE2-CG 3.68Å; F210-P238 HydrophobicContact CG-CG 3.69Å; F210-P238 HydrophobicContact CZ-CG 4.06Å; P238-H240 PolarHBondContact O-N 3.28Å; P238-H240 VanDerWaalsContact O-N 3.15Å; P238-F241 VanDerWaalsContact O-CB 3.28Å; P238-F241 WeakPolarHBondContact O-CB 3.49Å; P238-F241 PolarHBondContact O-N 3.11Å
239	S	88.6	Confident	91.6	Very high	84 Å²	84	50.5 Å²	50.5	59%	0.587	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-26.1	-176.9	57.5	0	0	0	0	114	V237 F241	V237-S239 VanDerWaalsContact C-N 3.31Å; V237-S239 PolarHBondContact O-N 2.98Å; S239-F241 PolarHBondContact O-N 3.32Å
240	H	88.4	Confident	91.3	Very high	113 Å²	113	53.1 Å²	53.1	52%	0.523	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-1.1	177.2	-59.5	-68.4	0	0	0	114.3	P238 G242 Q243 R244	P238-H240 PolarHBondContact O-N 3.28Å; P238-H240 VanDerWaalsContact O-N 3.15Å; H240-G242 VanDerWaalsContact C-N 3.34Å; H240-G242 PolarHBondContact O-N 3.36Å; H240-Q243 PolarHBondContact ND1-OE1 2.92Å; H240-Q243 VanDerWaalsContact ND1-OE1 3.15Å; H240-Q243 PolarHBondContact O-N 3.34Å; H240-Q243 VanDerWaalsContact O-N 3.15Å; H240-R244 PolarHBondContact O-N 2.84Å
241	F	95	Very high	90.9	Very high	1 Å²	1	55.8 Å²	55.8	0%	0.004	30%	0.295	C	S	.	.	H	α-helix	trans	-50.5	-51	-175.9	178.4	-86.2	0	0	0	112.6	I64 F74 A78 I82 A128 P179 I180 L209 P238 S239 Q243 R244 Y245	I64-F241 HydrophobicContact CG2-CD2 4.09Å; F74-F241 HydrophobicContact CE1-CD2 4.42Å; F74-F241 HydrophobicContact CE1-CE2 4.47Å; F74-F241 AromaticContact CZ-CD2 3.72Å; F74-F241 HydrophobicContact CZ-CD2 3.72Å; F74-F241 HydrophobicContact CZ-CE2 4.12Å; F74-F241 HydrophobicContact CZ-CG 4.31Å; A78-F241 HydrophobicContact CB-CE2 3.81Å; A78-F241 HydrophobicContact CB-CZ 4.11Å; I82-F241 HydrophobicContact CD1-CZ 4.23Å; A128-F241 HydrophobicContact CB-CE1 4.05Å; P179-F241 HydrophobicContact CB-CD1 3.76Å; P179-F241 HydrophobicContact CB-CE1 3.54Å; P179-F241 HydrophobicContact CB-CZ 4.16Å; P179-F241 HydrophobicContact CG-CD1 4.22Å; P179-F241 HydrophobicContact CG-CE1 3.72Å; I180-F241 HydrophobicContact CD1-CB 3.64Å; I180-F241 HydrophobicContact CD1-CD2 4.37Å; I180-F241 HydrophobicContact CD1-CG 3.95Å; I180-F241 HydrophobicContact CG1-CB 3.6Å; I180-F241 HydrophobicContact CG1-CD1 4.3Å; I180-F241 HydrophobicContact CG1-CG 4.06Å; L209-F241 HydrophobicContact CD1-CD2 4.42Å; L209-F241 HydrophobicContact CD1-CE1 4.42Å; L209-F241 HydrophobicContact CD1-CE2 3.57Å; L209-F241 HydrophobicContact CD1-CZ 3.58Å; P238-F241 VanDerWaalsContact O-CB 3.28Å; P238-F241 WeakPolarHBondContact O-CB 3.49Å; P238-F241 PolarHBondContact O-N 3.11Å; S239-F241 PolarHBondContact O-N 3.32Å; F241-Q243 PolarHBondContact O-N 2.88Å; F241-R244 PolarHBondContact O-N 3.12Å; F241-Y245 HydrophobicContact CE1-CD2 4.32Å; F241-Y245 HydrophobicContact CE1-CG 4.39Å; F241-Y245 HydrophobicContact CZ-CD2 4.01Å; F241-Y245 WeakPolarHBondContact O-CB 3.41Å; F241-Y245 PolarHBondContact O-N 3.31Å
242	G	90.2	Very high	90.5	Very high	14 Å²	14	58.9 Å²	58.9	14%	0.144	31%	0.311	C	S	.	.	H	α-helix	trans	-62	-43.7	-178.5	0	0	0	0	0	112.7	H240 Y245 F246	H240-G242 VanDerWaalsContact C-N 3.34Å; H240-G242 PolarHBondContact O-N 3.36Å; G242-Y245 PolarHBondContact O-N 3.12Å; G242-F246 WeakPolarHBondContact O-CD2 3.42Å; G242-F246 PolarHBondContact O-N 3.39Å
243	Q	90.1	Very high	90	Very high	86 Å²	86	60.6 Å²	60.6	40%	0.402	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-47.8	178.9	-67.9	169	-14.8	0	0	111.4	H240 F241 G247 T248 F249	H240-Q243 PolarHBondContact ND1-OE1 2.92Å; H240-Q243 VanDerWaalsContact ND1-OE1 3.15Å; H240-Q243 PolarHBondContact O-N 3.34Å; H240-Q243 VanDerWaalsContact O-N 3.15Å; F241-Q243 PolarHBondContact O-N 2.88Å; Q243-G247 WeakPolarHBondContact O-CA 3.27Å; Q243-G247 PolarHBondContact O-N 3.13Å; Q243-T248 PolarHBondContact O-N 3.45Å; Q243-F249 HydrophobicContact CB-CD1 4.45Å; Q243-F249 HydrophobicContact CB-CE1 4.04Å; Q243-F249 HydrophobicContact CB-CZ 4.29Å
244	R	92.7	Very high	89.5	Confident	66 Å²	66	63.7 Å²	63.7	25%	0.249	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-48.2	176	-77.2	-78.3	168.5	142.4	0.2	111.2	K67 T69 R71 F74 H240 F241 G247 F249	K67-R244 PolarHBondContact O-NH1 3.02Å; K67-R244 VanDerWaalsContact O-NH1 3.11Å; K67-R244 PolarHBondContact O-NH2 2.85Å; T69-R244 PolarHBondContact O-NH1 2.88Å; T69-R244 VanDerWaalsContact O-NH1 3.15Å; R71-R244 PolarHBondContact NE-O 3.39Å; F74-R244 HydrophobicContact CD1-CB 3.9Å; F74-R244 HydrophobicContact CD2-CB 4.25Å; F74-R244 HydrophobicContact CD2-CG 4.47Å; F74-R244 HydrophobicContact CE1-CB 3.57Å; F74-R244 HydrophobicContact CE2-CB 3.92Å; F74-R244 HydrophobicContact CE2-CG 4.22Å; F74-R244 HydrophobicContact CG-CB 4.25Å; F74-R244 HydrophobicContact CZ-CB 3.59Å; F74-R244 HydrophobicContact CZ-CG 4.35Å; H240-R244 PolarHBondContact O-N 2.84Å; F241-R244 PolarHBondContact O-N 3.12Å; R244-G247 PolarHBondContact O-N 3.38Å; R244-F249 HydrophobicContact CB-CZ 4.27Å; R244-F249 VanDerWaalsContact CD-CZ 3.49Å; R244-F249 HydrophobicContact CG-CE2 4.44Å; R244-F249 HydrophobicContact CG-CZ 3.68Å
245	Y	95.3	Very high	89.1	Confident	25 Å²	25	64 Å²	64	10%	0.098	34%	0.342	C	S	.	.	H	α-helix	trans	-64	-49.1	-176	-167.2	-84.8	0	0	0	111.6	R71 F74 L75 A78 D79 I82 A128 F241 G242	R71-Y245 PolarHBondContact NH2-O 3.24Å; F74-Y245 HydrophobicContact CE1-CD2 4.35Å; L75-Y245 HydrophobicContact CD2-CD1 4.38Å; L75-Y245 HydrophobicContact CD2-CD2 3.61Å; L75-Y245 HydrophobicContact CD2-CE2 3.91Å; L75-Y245 HydrophobicContact CD2-CG 3.88Å; L75-Y245 WeakPolarHBondContact CD2-O 3.45Å; A78-Y245 HydrophobicContact CB-CD2 3.99Å; A78-Y245 HydrophobicContact CB-CE2 4.13Å; D79-Y245 WeakPolarHBondContact OD1-CE2 3.45Å; D79-Y245 PolarHBondContact OD1-OH 3.27Å; I82-Y245 HydrophobicContact CD1-CE2 4.1Å; A128-Y245 HydrophobicContact CB-CD1 3.55Å; A128-Y245 HydrophobicContact CB-CD2 4.22Å; A128-Y245 HydrophobicContact CB-CE1 3.41Å; A128-Y245 VanDerWaalsContact CB-CE1 3.41Å; A128-Y245 HydrophobicContact CB-CE2 4.1Å; A128-Y245 HydrophobicContact CB-CG 3.96Å; A128-Y245 PolarHBondContact O-OH 2.86Å; F241-Y245 HydrophobicContact CE1-CD2 4.32Å; F241-Y245 HydrophobicContact CE1-CG 4.39Å; F241-Y245 HydrophobicContact CZ-CD2 4.01Å; F241-Y245 WeakPolarHBondContact O-CB 3.41Å; F241-Y245 PolarHBondContact O-N 3.31Å; G242-Y245 PolarHBondContact O-N 3.12Å
246	F	93.6	Very high	88.8	Confident	74 Å²	74	66.1 Å²	66.1	33%	0.325	35%	0.35	S	S	.	.	H	α-helix	trans	-84.6	-10.8	-179.7	-63.4	-68	0	0	0	114.1	E127 A128 G242 T248	E127-F246 HydrophobicContact CB-CE1 4.39Å; E127-F246 HydrophobicContact CB-CZ 3.96Å; A128-F246 HydrophobicContact CB-CE2 4.4Å; A128-F246 HydrophobicContact CB-CZ 3.99Å; G242-F246 WeakPolarHBondContact O-CD2 3.42Å; G242-F246 PolarHBondContact O-N 3.39Å; F246-T248 VanDerWaalsContact C-N 3.35Å; F246-T248 HydrophobicContact CB-CG2 3.99Å
247	G	88.9	Confident	88.4	Confident	36 Å²	36	62.8 Å²	62.8	37%	0.371	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	27.4	-180	0	0	0	0	0	113.6	Q243 R244 F249	Q243-G247 WeakPolarHBondContact O-CA 3.27Å; Q243-G247 PolarHBondContact O-N 3.13Å; R244-G247 PolarHBondContact O-N 3.38Å; G247-F249 PolarHBondContact O-N 3.36Å
248	T	78.6	Confident	87.7	Confident	94 Å²	94	65.9 Å²	65.9	58%	0.577	35%	0.349	S	S	*	.			trans	-99.2	51.6	-175.3	62.7	0	0	0	0	112	Q243 F246	Q243-T248 PolarHBondContact O-N 3.45Å; F246-T248 VanDerWaalsContact C-N 3.35Å; F246-T248 HydrophobicContact CB-CG2 3.99Å
249	F	56	Low	87	Confident	180 Å²	180	70.3 Å²	70.3	79%	0.789	37%	0.37	S	S	*	.			trans	-71.3	0	172.8	-69.7	-75.9	0	0	0	111.9	Q243 R244 G247	Q243-F249 HydrophobicContact CB-CD1 4.45Å; Q243-F249 HydrophobicContact CB-CE1 4.04Å; Q243-F249 HydrophobicContact CB-CZ 4.29Å; R244-F249 HydrophobicContact CB-CZ 4.27Å; R244-F249 VanDerWaalsContact CD-CZ 3.49Å; R244-F249 HydrophobicContact CG-CE2 4.44Å; R244-F249 HydrophobicContact CG-CZ 3.68Å; G247-F249 PolarHBondContact O-N 3.36Å

Retrieved 249 of 249 residues in 51.9 ms (Link to these results)

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