A0A077ZGY4_TRITR Loading...

Gut specific cysteine proteinase

AlphaFold DB , UniProt , Accession A0A077ZGY4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 347 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	45.5	Very low	38	Very low	224 Å²	224	149.4 Å²	149.4	100%	1.103	81%	0.806	S	S	*	*				0	99.3	0	-90.2	171.3	157.9	0	0	107.8
2	V	40.6	Very low	37.5	Very low	139 Å²	139	152.9 Å²	152.9	84%	0.842	81%	0.809	S	S	*	*			trans	-86.6	115.3	176.6	178	0	0	0	0	107.2	L4	V2-L4 PolarHBondContact O-N 3.07Å
3	Y	40.7	Very low	37.4	Very low	210 Å²	210	153.9 Å²	153.9	82%	0.824	81%	0.813	S	S	*	*			trans	-76.1	98.4	174	-80.5	-89.8	0	0	0	108.8	M5	Y3-M5 PolarHBondContact O-N 3.06Å
4	L	43.2	Very low	37.4	Very low	157 Å²	157	150.2 Å²	150.2	82%	0.822	81%	0.806	S	S	*	*			trans	-79.1	97.8	169.6	-150.4	81.3	0	0	0	107.6	V2 T6	V2-L4 PolarHBondContact O-N 3.07Å; L4-T6 PolarHBondContact O-N 3.22Å
5	M	39.6	Very low	37.6	Very low	174 Å²	174	144.2 Å²	144.2	86%	0.857	79%	0.794	S	S	*	*			trans	-64.6	105.3	173.5	-85.4	-167.4	162	0	0	109.9	Y3	Y3-M5 PolarHBondContact O-N 3.06Å
6	T	34.1	Very low	38.2	Very low	117 Å²	117	145.3 Å²	145.3	72%	0.718	80%	0.796	S	S	*	*			trans	-73.1	115.1	161.6	45.8	0	0	0	0	109.3	L4	L4-T6 PolarHBondContact O-N 3.22Å
7	F	39.4	Very low	39	Very low	181 Å²	181	151.1 Å²	151.1	79%	0.794	80%	0.803	S	S	*	*			trans	-148.1	107.7	155.1	-91.7	-70.8	0	0	0	112.1
8	L	32.6	Very low	40.3	Very low	145 Å²	145	143.8 Å²	143.8	76%	0.759	77%	0.77	S	S	*	*			trans	60.6	84.3	141.1	-68.8	162.6	0	0	0	118.6	A10	L8-A10 PolarHBondContact O-N 3.11Å
9	T	32.8	Very low	42.4	Very low	143 Å²	143	137.9 Å²	137.9	88%	0.877	75%	0.747	S	S	*	*			trans	-70.4	76.2	145.6	48	0	0	0	0	109.9	A11	T9-A11 PolarHBondContact O-N 3.38Å
10	A	34.2	Very low	44.8	Very low	71 Å²	71	135.6 Å²	135.6	59%	0.587	73%	0.731	S	S	*	*			trans	-84.2	65	156	0	0	0	0	0	107.9	L8 F12	L8-A10 PolarHBondContact O-N 3.11Å; A10-F12 VanDerWaalsContact C-N 3.32Å; A10-F12 PolarHBondContact O-N 3.02Å
11	A	35.3	Very low	47	Very low	82 Å²	82	129.2 Å²	129.2	68%	0.678	70%	0.696	S	S	*	*			trans	-64.7	104.2	163.3	0	0	0	0	0	105.6	T9 L13	T9-A11 PolarHBondContact O-N 3.38Å; A11-L13 PolarHBondContact O-N 3.22Å
12	F	31.5	Very low	49.2	Very low	192 Å²	192	120.2 Å²	120.2	84%	0.842	65%	0.652	S	S	*	*			trans	-51.8	89.1	164.5	-86.1	-101.9	0	0	0	107.7	A10 S14	A10-F12 VanDerWaalsContact C-N 3.32Å; A10-F12 PolarHBondContact O-N 3.02Å; F12-S14 PolarHBondContact O-N 2.98Å
13	L	37.3	Very low	51.7	Low	166 Å²	166	117 Å²	117	87%	0.869	63%	0.632	S	S	*	*			trans	-67	80.7	151.9	-74.9	165.3	0	0	0	104.5	A11 G15	A11-L13 PolarHBondContact O-N 3.22Å; L13-G15 PolarHBondContact O-N 3Å
14	S	36.8	Very low	54.1	Low	102 Å²	102	107.6 Å²	107.6	71%	0.713	60%	0.596	S	S	*	*			trans	-61.1	74.3	148.4	54.1	0	0	0	0	105.7	F12 I16	F12-S14 PolarHBondContact O-N 2.98Å; S14-I16 PolarHBondContact O-N 3.48Å
15	G	40.2	Very low	56.5	Low	60 Å²	60	103 Å²	103	62%	0.619	57%	0.569	S	S	*	*			trans	-59.4	99.4	160.3	0	0	0	0	0	104.3	L13 R17	L13-G15 PolarHBondContact O-N 3Å; G15-R17 PolarHBondContact O-N 2.78Å
16	I	47.8	Very low	58.9	Low	161 Å²	161	96.6 Å²	96.6	83%	0.826	54%	0.543	S	S	*	.			trans	-51	101.3	151.5	-61.3	173.5	0	0	0	102.7	S14 G18	S14-I16 PolarHBondContact O-N 3.48Å; I16-G18 PolarHBondContact O-N 3.38Å
17	R	51.5	Low	61.6	Low	244 Å²	244	96.3 Å²	96.3	92%	0.921	53%	0.534	S	S	*	.			trans	-67.1	85.5	171.2	-170.1	178.5	-174.7	174.7	0.8	103.5	G15	G15-R17 PolarHBondContact O-N 2.78Å
18	G	62	Low	63.9	Low	21 Å²	21	88.1 Å²	88.1	22%	0.216	50%	0.498	C	S	.	.			trans	-55.4	158	180	0	0	0	0	0	109.6	I16	I16-G18 PolarHBondContact O-N 3.38Å
19	G	81.4	Confident	66.5	Low	32 Å²	32	83.6 Å²	83.6	33%	0.33	48%	0.477	S	S	.	.			trans	-64.2	-173.7	176.6	0	0	0	0	0	112.2	Y21 E22 T23	G19-Y21 PolarHBondContact O-N 2.96Å; G19-E22 VanDerWaalsContact CA-OE2 3.28Å; G19-E22 WeakPolarHBondContact CA-OE2 3.48Å; G19-E22 PolarHBondContact N-OE2 3.09Å; G19-E22 PolarHBondContact O-N 3.03Å; G19-T23 PolarHBondContact O-N 2.8Å; G19-T23 PolarHBondContact O-OG1 3.21Å
20	E	88.9	Confident	68.9	Low	91 Å²	91	84.9 Å²	84.9	43%	0.425	47%	0.47	S	S	.	.	H	α-helix	trans	-53.6	-42.6	176.5	-171.8	-178	-165.8	0	0	111.4	T23 I24 L51	E20-T23 PolarHBondContact O-N 3.3Å; E20-I24 HydrophobicContact CG-CD1 4.02Å; E20-I24 WeakPolarHBondContact O-CD1 3.22Å; E20-I24 WeakPolarHBondContact O-CG1 3.47Å; E20-I24 PolarHBondContact O-N 3.01Å; E20-L51 HydrophobicContact CG-CG 4.08Å; E20-L51 WeakPolarHBondContact OE2-CB 3.48Å; E20-L51 PolarHBondContact OE2-N 3.17Å
21	Y	91.8	Very high	70.8	Confident	1 Å²	1	87.6 Å²	87.6	0%	0.004	47%	0.471	C	S	.	.	H	α-helix	trans	-60.2	-47.3	178.1	172.2	-110.1	0	0	0	113.6	G19 T23 I24 Y25 L42 N43 F46 K49 I54 L253 Y254	G19-Y21 PolarHBondContact O-N 2.96Å; Y21-T23 VanDerWaalsContact C-N 3.31Å; Y21-T23 PolarHBondContact O-N 3.41Å; Y21-I24 PolarHBondContact O-N 3.47Å; Y21-Y25 PolarHBondContact O-N 3.29Å; Y21-Y25 VanDerWaalsContact O-N 3.17Å; Y21-L42 HydrophobicContact CD1-CD2 4.34Å; Y21-L42 HydrophobicContact CE1-CD2 3.85Å; Y21-N43 WeakPolarHBondContact OH-CA 3.5Å; Y21-N43 WeakPolarHBondContact OH-CB 3.35Å; Y21-N43 PolarHBondContact OH-N 3.19Å; Y21-N43 PolarHBondContact OH-O 3.08Å; Y21-F46 HydrophobicContact CD1-CB 4.23Å; Y21-F46 WeakPolarHBondContact CD1-O 3.33Å; Y21-F46 HydrophobicContact CD2-CB 3.98Å; Y21-F46 HydrophobicContact CE1-CB 3.95Å; Y21-F46 HydrophobicContact CE2-CB 3.67Å; Y21-F46 HydrophobicContact CE2-CD2 4.16Å; Y21-F46 HydrophobicContact CE2-CG 4.3Å; Y21-F46 HydrophobicContact CG-CB 4.24Å; Y21-K49 WeakPolarHBondContact CB-O 3.28Å; Y21-I54 HydrophobicContact CD2-CD1 3.95Å; Y21-I54 HydrophobicContact CG-CD1 4.44Å; Y21-L253 HydrophobicContact CE2-CB 4.04Å; Y21-L253 PolarHBondContact OH-O 3Å; Y21-Y254 HydrophobicContact CD2-CD1 4.43Å; Y21-Y254 AromaticContact CD2-CE1 3.47Å; Y21-Y254 HydrophobicContact CD2-CE1 3.47Å; Y21-Y254 VanDerWaalsContact CD2-CE1 3.47Å; Y21-Y254 AromaticContact CD2-CZ 3.64Å; Y21-Y254 WeakPolarHBondContact CD2-OH 3.36Å; Y21-Y254 HydrophobicContact CE1-CE1 4.17Å; Y21-Y254 AromaticContact CE2-CD1 3.54Å; Y21-Y254 HydrophobicContact CE2-CD1 3.54Å; Y21-Y254 AromaticContact CE2-CE1 2.99Å; Y21-Y254 HydrophobicContact CE2-CE1 2.99Å; Y21-Y254 HydrophobicContact CE2-CE2 4.38Å; Y21-Y254 HydrophobicContact CE2-CG 4.42Å; Y21-Y254 AromaticContact CE2-CZ 3.5Å; Y21-Y254 HydrophobicContact CG-CE1 4.22Å; Y21-Y254 AromaticContact CZ-CD1 3.64Å; Y21-Y254 AromaticContact CZ-CE1 3.4Å; Y21-Y254 PolarHBondContact O-OH 3.09Å
22	E	92.4	Very high	72.2	Confident	36 Å²	36	90 Å²	90	17%	0.168	47%	0.472	C	S	.	.	H	α-helix	trans	-69.9	-30.4	178.1	-66.7	75.8	-165.5	0	0	112.2	G19 Y25 A26 L42 S48	G19-E22 VanDerWaalsContact CA-OE2 3.28Å; G19-E22 WeakPolarHBondContact CA-OE2 3.48Å; G19-E22 PolarHBondContact N-OE2 3.09Å; G19-E22 PolarHBondContact O-N 3.03Å; E22-Y25 WeakPolarHBondContact O-CB 3.27Å; E22-Y25 PolarHBondContact O-N 3.24Å; E22-A26 PolarHBondContact O-N 3.24Å; E22-L42 HydrophobicContact CB-CD2 4.44Å; E22-L42 HydrophobicContact CG-CD1 4.34Å; E22-L42 HydrophobicContact CG-CD2 4.06Å; E22-S48 PolarHBondContact OE1-N 2.8Å
23	T	91.8	Very high	73.9	Confident	70 Å²	70	82.5 Å²	82.5	43%	0.429	44%	0.443	S	S	.	.	H	α-helix	trans	-65.6	-47	175.9	-59.4	0	0	0	0	110.9	G19 E20 Y21 Y25 A26 E27	G19-T23 PolarHBondContact O-N 2.8Å; G19-T23 PolarHBondContact O-OG1 3.21Å; E20-T23 PolarHBondContact O-N 3.3Å; Y21-T23 VanDerWaalsContact C-N 3.31Å; Y21-T23 PolarHBondContact O-N 3.41Å; T23-Y25 VanDerWaalsContact C-N 3.31Å; T23-Y25 PolarHBondContact O-N 3.11Å; T23-A26 WeakPolarHBondContact O-CB 3.23Å; T23-A26 PolarHBondContact O-N 3.15Å; T23-A26 VanDerWaalsContact O-N 3.11Å; T23-E27 PolarHBondContact O-N 2.73Å; T23-E27 VanDerWaalsContact O-N 3.15Å
24	I	91.7	Very high	75.9	Confident	14 Å²	14	81.9 Å²	81.9	7%	0.072	43%	0.434	C	S	.	.	H	α-helix	trans	-63	-38	177.5	-68.6	161.3	0	0	0	111.4	E20 Y21 A26 E27 L28 L51 M250 Y254	E20-I24 HydrophobicContact CG-CD1 4.02Å; E20-I24 WeakPolarHBondContact O-CD1 3.22Å; E20-I24 WeakPolarHBondContact O-CG1 3.47Å; E20-I24 PolarHBondContact O-N 3.01Å; Y21-I24 PolarHBondContact O-N 3.47Å; I24-A26 VanDerWaalsContact C-N 3.29Å; I24-A26 PolarHBondContact O-N 2.83Å; I24-E27 WeakPolarHBondContact O-CB 3.31Å; I24-E27 PolarHBondContact O-N 2.84Å; I24-E27 VanDerWaalsContact O-N 3.09Å; I24-L28 HydrophobicContact CG2-CD1 4.09Å; I24-L28 HydrophobicContact CG2-CG 4.35Å; I24-L28 PolarHBondContact O-N 2.9Å; I24-L51 HydrophobicContact CD1-CD1 3.42Å; I24-L51 VanDerWaalsContact CD1-CD1 3.42Å; I24-L51 HydrophobicContact CD1-CD2 3.7Å; I24-L51 HydrophobicContact CD1-CG 3.52Å; I24-M250 HydrophobicContact CD1-CE 4.32Å; I24-M250 HydrophobicContact CD1-SD 4.34Å; I24-M250 HydrophobicContact CG2-CG 3.76Å; I24-M250 HydrophobicContact CG2-SD 3.45Å; I24-M250 WeakPolarHBondContact CG2-SD 3.41Å; I24-Y254 WeakPolarHBondContact CB-OH 3.26Å; I24-Y254 HydrophobicContact CG2-CE2 3.93Å; I24-Y254 WeakPolarHBondContact CG2-OH 3.49Å
25	Y	92.6	Very high	78.4	Confident	61 Å²	61	78 Å²	78	24%	0.239	41%	0.406	C	S	.	.	H	α-helix	trans	-57.5	-43.9	173.5	179.8	-112.2	0	0	0	111.9	Y21 E22 T23 E27 T29 M40 L42 Y254	Y21-Y25 PolarHBondContact O-N 3.29Å; Y21-Y25 VanDerWaalsContact O-N 3.17Å; E22-Y25 WeakPolarHBondContact O-CB 3.27Å; E22-Y25 PolarHBondContact O-N 3.24Å; T23-Y25 VanDerWaalsContact C-N 3.31Å; T23-Y25 PolarHBondContact O-N 3.11Å; Y25-E27 PolarHBondContact O-N 3.12Å; Y25-T29 HydrophobicContact CD2-CG2 4.16Å; Y25-T29 HydrophobicContact CE1-CG2 4.16Å; Y25-T29 HydrophobicContact CE2-CG2 3.71Å; Y25-T29 WeakPolarHBondContact O-CB 3.46Å; Y25-T29 WeakPolarHBondContact O-CG2 3.45Å; Y25-T29 PolarHBondContact O-N 3.06Å; Y25-T29 VanDerWaalsContact O-N 3.08Å; Y25-T29 PolarHBondContact O-OG1 3.25Å; Y25-M40 HydrophobicContact CE2-CG 4.09Å; Y25-M40 HydrophobicContact CE2-SD 4.4Å; Y25-L42 HydrophobicContact CD1-CD1 4.34Å; Y25-L42 HydrophobicContact CD1-CD2 3.65Å; Y25-L42 HydrophobicContact CD1-CG 3.74Å; Y25-L42 HydrophobicContact CD2-CD2 4.28Å; Y25-L42 HydrophobicContact CE1-CD2 4.39Å; Y25-L42 HydrophobicContact CE1-CG 4Å; Y25-L42 HydrophobicContact CG-CD2 3.58Å; Y25-L42 HydrophobicContact CG-CG 4.07Å; Y25-Y254 VanDerWaalsContact CB-CE1 3.47Å; Y25-Y254 AromaticContact CD2-CD1 3.53Å; Y25-Y254 HydrophobicContact CD2-CD1 3.53Å; Y25-Y254 HydrophobicContact CD2-CE1 4.02Å; Y25-Y254 AromaticContact CD2-CG 3.99Å; Y25-Y254 HydrophobicContact CD2-CG 3.99Å; Y25-Y254 HydrophobicContact CE2-CD1 4.47Å; Y25-Y254 HydrophobicContact CG-CD1 4.09Å; Y25-Y254 HydrophobicContact CG-CE1 4.14Å; Y25-Y254 PolarHBondContact N-OH 3.29Å
26	A	91	Very high	80.9	Confident	39 Å²	39	81.6 Å²	81.6	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-66.2	-26.5	177.8	0	0	0	0	0	112.7	E22 T23 I24 T29 K30	E22-A26 PolarHBondContact O-N 3.24Å; T23-A26 WeakPolarHBondContact O-CB 3.23Å; T23-A26 PolarHBondContact O-N 3.15Å; T23-A26 VanDerWaalsContact O-N 3.11Å; I24-A26 VanDerWaalsContact C-N 3.29Å; I24-A26 PolarHBondContact O-N 2.83Å; A26-T29 WeakPolarHBondContact CA-OG1 3.46Å; A26-T29 PolarHBondContact O-OG1 3.22Å; A26-K30 WeakPolarHBondContact O-CD 3.42Å; A26-K30 WeakPolarHBondContact O-CG 3.47Å
27	E	90.4	Very high	83.2	Confident	110 Å²	110	75.9 Å²	75.9	51%	0.514	39%	0.389	S	S	.	.	H	α-helix	trans	-75.4	-53.2	174.3	-68.7	175.1	176.6	0	0	111.3	T23 I24 Y25 T29 K30 E31	T23-E27 PolarHBondContact O-N 2.73Å; T23-E27 VanDerWaalsContact O-N 3.15Å; I24-E27 WeakPolarHBondContact O-CB 3.31Å; I24-E27 PolarHBondContact O-N 2.84Å; I24-E27 VanDerWaalsContact O-N 3.09Å; Y25-E27 PolarHBondContact O-N 3.12Å; E27-T29 PolarHBondContact O-N 2.78Å; E27-K30 WeakPolarHBondContact O-CB 3.34Å; E27-K30 PolarHBondContact O-N 2.99Å; E27-E31 PolarHBondContact O-N 2.74Å
28	L	88.7	Confident	85.4	Confident	10 Å²	10	65 Å²	65	5%	0.052	35%	0.348	C	S	.	.	H	α-helix	trans	-57.1	-36.1	179.1	-70.4	173.8	0	0	0	112.7	I24 M40 D251 Y254 A264	I24-L28 HydrophobicContact CG2-CD1 4.09Å; I24-L28 HydrophobicContact CG2-CG 4.35Å; I24-L28 PolarHBondContact O-N 2.9Å; L28-M40 HydrophobicContact CB-SD 4.25Å; L28-D251 HydrophobicContact CD1-CB 4.4Å; L28-Y254 HydrophobicContact CD1-CD2 3.64Å; L28-Y254 HydrophobicContact CD1-CE2 3.52Å; L28-A264 HydrophobicContact CD2-CB 3.85Å
29	T	86.5	Confident	87	Confident	50 Å²	50	70.3 Å²	70.3	31%	0.307	37%	0.365	S	S	.	.	H	α-helix	trans	-75.5	-24.4	179.1	50.9	0	0	0	0	113.9	Y25 A26 E27 M40	Y25-T29 HydrophobicContact CD2-CG2 4.16Å; Y25-T29 HydrophobicContact CE1-CG2 4.16Å; Y25-T29 HydrophobicContact CE2-CG2 3.71Å; Y25-T29 WeakPolarHBondContact O-CB 3.46Å; Y25-T29 WeakPolarHBondContact O-CG2 3.45Å; Y25-T29 PolarHBondContact O-N 3.06Å; Y25-T29 VanDerWaalsContact O-N 3.08Å; Y25-T29 PolarHBondContact O-OG1 3.25Å; A26-T29 WeakPolarHBondContact CA-OG1 3.46Å; A26-T29 PolarHBondContact O-OG1 3.22Å; E27-T29 PolarHBondContact O-N 2.78Å; T29-M40 HydrophobicContact CG2-SD 4.36Å
30	K	84	Confident	87.7	Confident	169 Å²	169	70 Å²	70	74%	0.735	36%	0.355	S	S	*	.	H	α-helix	trans	-75.2	-30.5	175.8	-79.3	170.6	-174.1	172.6	0	112.7	A26 E27 N32	A26-K30 WeakPolarHBondContact O-CD 3.42Å; A26-K30 WeakPolarHBondContact O-CG 3.47Å; E27-K30 WeakPolarHBondContact O-CB 3.34Å; E27-K30 PolarHBondContact O-N 2.99Å; K30-N32 PolarHBondContact O-N 2.61Å
31	E	73.6	Confident	88	Confident	129 Å²	129	66 Å²	66	60%	0.603	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.1	-178.3	-67.5	-176.7	168.2	0	0	113.8	E27 S33	E27-E31 PolarHBondContact O-N 2.74Å; E31-S33 WeakPolarHBondContact CB-OG 3.22Å; E31-S33 PolarHBondContact O-N 3.42Å; E31-S33 VanDerWaalsContact O-N 3.11Å
32	N	64.6	Low	88.1	Confident	132 Å²	132	70 Å²	70	71%	0.706	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	17.3	-171.4	-96.3	-16.4	0	0	0	113.6	K30 K34	K30-N32 PolarHBondContact O-N 2.61Å; N32-K34 PolarHBondContact O-N 2.77Å
33	S	67	Low	88.2	Confident	34 Å²	34	68.3 Å²	68.3	24%	0.238	35%	0.352	C	S	.	.			trans	-71.2	51.3	172.5	-55.9	0	0	0	0	111.4	E31 P35	E31-S33 WeakPolarHBondContact CB-OG 3.22Å; E31-S33 PolarHBondContact O-N 3.42Å; E31-S33 VanDerWaalsContact O-N 3.11Å; S33-P35 VanDerWaalsContact O-CD 3.27Å; S33-P35 WeakPolarHBondContact O-CD 3.45Å
34	K	79.8	Confident	88.2	Confident	154 Å²	154	69 Å²	69	67%	0.67	36%	0.357	S	S	*	.			trans	-79.8	116.7	-179.4	-70.5	-175	-176.8	177.3	0	109.1	N32	N32-K34 PolarHBondContact O-N 2.77Å
35	P	89.9	Confident	88.2	Confident	20 Å²	20	69 Å²	69	13%	0.13	36%	0.36	C	S	.	.			trans	-61.3	143.4	175.9	24.1	-34.4	0	0	0	111.9	S33 W38 M40 T263	S33-P35 VanDerWaalsContact O-CD 3.27Å; S33-P35 WeakPolarHBondContact O-CD 3.45Å; P35-W38 HydrophobicContact CB-CD2 3.59Å; P35-W38 HydrophobicContact CB-CE3 4.46Å; P35-W38 HydrophobicContact CB-CG 3.69Å; P35-W38 HydrophobicContact CB-CZ2 3.77Å; P35-W38 HydrophobicContact CG-CD2 3.54Å; P35-W38 VanDerWaalsContact CG-CE2 3.42Å; P35-W38 HydrophobicContact CG-CE3 3.93Å; P35-W38 HydrophobicContact CG-CG 4.05Å; P35-W38 HydrophobicContact CG-CH2 4.03Å; P35-W38 HydrophobicContact CG-CZ2 3.67Å; P35-W38 HydrophobicContact CG-CZ3 4.16Å; P35-W38 VanDerWaalsContact CG-O 3.29Å; P35-W38 WeakPolarHBondContact CG-O 3.47Å; P35-M40 HydrophobicContact CG-CB 4.05Å; P35-M40 HydrophobicContact CG-CE 4.32Å; P35-T263 HydrophobicContact CB-CG2 4.01Å
36	T	92.3	Very high	88.1	Confident	136 Å²	136	66.2 Å²	66.2	83%	0.834	35%	0.349	S	S	*	.	S	Bend	trans	-91.1	-26.7	-178.2	54.6	0	0	0	0	113
37	T	96.5	Very high	88	Confident	41 Å²	41	67.5 Å²	67.5	25%	0.252	36%	0.356	S	S	.	.	S	Bend	trans	-107.3	-8.6	-174.5	55.1	0	0	0	0	113.7	G258 I259 T261 V284	T37-G258 CarbonylContact O-C 3.58Å; T37-I259 CarbonylContact C-O 3.53Å; T37-I259 VanDerWaalsContact CB-O 3.29Å; T37-I259 WeakPolarHBondContact CB-O 3.42Å; T37-I259 PolarHBondContact O-N 2.8Å; T37-I259 PolarHBondContact OG1-O 3.4Å; T37-T261 PolarHBondContact OG1-OG1 3.12Å; T37-V284 HydrophobicContact CG2-CG1 4.47Å; T37-V284 HydrophobicContact CG2-CG2 4.08Å
38	W	97.2	Very high	87.6	Confident	14 Å²	14	66.8 Å²	66.8	5%	0.053	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	162.8	180	62.1	-83.3	0	0	0	111.6	P35 M40 D251 Y255 S257 Y260 T261	P35-W38 HydrophobicContact CB-CD2 3.59Å; P35-W38 HydrophobicContact CB-CE3 4.46Å; P35-W38 HydrophobicContact CB-CG 3.69Å; P35-W38 HydrophobicContact CB-CZ2 3.77Å; P35-W38 HydrophobicContact CG-CD2 3.54Å; P35-W38 VanDerWaalsContact CG-CE2 3.42Å; P35-W38 HydrophobicContact CG-CE3 3.93Å; P35-W38 HydrophobicContact CG-CG 4.05Å; P35-W38 HydrophobicContact CG-CH2 4.03Å; P35-W38 HydrophobicContact CG-CZ2 3.67Å; P35-W38 HydrophobicContact CG-CZ3 4.16Å; P35-W38 VanDerWaalsContact CG-O 3.29Å; P35-W38 WeakPolarHBondContact CG-O 3.47Å; W38-M40 HydrophobicContact CE3-CB 4.31Å; W38-M40 HydrophobicContact CH2-CB 4.02Å; W38-M40 HydrophobicContact CH2-CE 3.58Å; W38-M40 HydrophobicContact CH2-CG 3.95Å; W38-M40 HydrophobicContact CZ2-CE 4.07Å; W38-M40 HydrophobicContact CZ3-CB 3.64Å; W38-M40 HydrophobicContact CZ3-CE 4.38Å; W38-M40 HydrophobicContact CZ3-CG 3.86Å; W38-D251 HydrophobicContact CH2-CB 4.14Å; W38-D251 WeakPolarHBondContact CH2-O 3.44Å; W38-D251 HydrophobicContact CZ2-CB 4.32Å; W38-Y255 HydrophobicContact CB-CD2 4.42Å; W38-Y255 HydrophobicContact CB-CE2 4.3Å; W38-Y255 HydrophobicContact CD2-CD2 4.5Å; W38-Y255 HydrophobicContact CE3-CD2 4.09Å; W38-S257 CarbonylContact C-O 3.58Å; W38-S257 VanDerWaalsContact CA-O 3.27Å; W38-S257 WeakPolarHBondContact CA-O 3.45Å; W38-S257 VanDerWaalsContact CB-O 3.29Å; W38-S257 WeakPolarHBondContact CB-O 3.4Å; W38-Y260 HydrophobicContact CD2-CD2 4.02Å; W38-Y260 AromaticContact CE2-CD2 3.69Å; W38-Y260 HydrophobicContact CE3-CD2 4.47Å; W38-Y260 HydrophobicContact CG-CD2 4.45Å; W38-Y260 HydrophobicContact CH2-CD2 4.4Å; W38-Y260 HydrophobicContact CH2-CE2 4.28Å; W38-Y260 AromaticContact CZ2-CD2 3.93Å; W38-Y260 HydrophobicContact CZ2-CD2 3.93Å; W38-Y260 AromaticContact CZ2-CE2 3.83Å; W38-Y260 HydrophobicContact CZ2-CE2 3.83Å; W38-Y260 AromaticContact NE1-CD2 3.86Å; W38-T261 PolarHBondContact NE1-O 3.24Å
39	K	96	Very high	87.5	Confident	134 Å²	134	67.7 Å²	67.7	58%	0.583	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.5	178.6	-176.3	179.4	178.1	-176.3	0	109.6	I256 S257	K39-I256 HydrophobicContact CB-CB 4.49Å; K39-I256 HydrophobicContact CD-CG2 4.4Å; K39-I256 HydrophobicContact CG-CB 4.46Å; K39-I256 WeakPolarHBondContact O-CB 3.25Å; K39-I256 PolarHBondContact O-N 3.08Å; K39-S257 PolarHBondContact N-O 2.87Å
40	M	95.1	Very high	87.7	Confident	24 Å²	24	67.6 Å²	67.6	12%	0.118	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	141.5	170	-164.3	-172.6	-73.2	0	0	110.8	Y25 L28 T29 P35 W38 D251 Y254	Y25-M40 HydrophobicContact CE2-CG 4.09Å; Y25-M40 HydrophobicContact CE2-SD 4.4Å; L28-M40 HydrophobicContact CB-SD 4.25Å; T29-M40 HydrophobicContact CG2-SD 4.36Å; P35-M40 HydrophobicContact CG-CB 4.05Å; P35-M40 HydrophobicContact CG-CE 4.32Å; W38-M40 HydrophobicContact CE3-CB 4.31Å; W38-M40 HydrophobicContact CH2-CB 4.02Å; W38-M40 HydrophobicContact CH2-CE 3.58Å; W38-M40 HydrophobicContact CH2-CG 3.95Å; W38-M40 HydrophobicContact CZ2-CE 4.07Å; W38-M40 HydrophobicContact CZ3-CB 3.64Å; W38-M40 HydrophobicContact CZ3-CE 4.38Å; W38-M40 HydrophobicContact CZ3-CG 3.86Å; M40-D251 HydrophobicContact CE-CB 4.27Å; M40-Y254 CarbonylContact C-O 3.23Å; M40-Y254 WeakPolarHBondContact CA-O 3.43Å; M40-Y254 HydrophobicContact CG-CG 4.48Å
41	G	95.2	Very high	87.9	Confident	9 Å²	9	59.9 Å²	59.9	9%	0.093	34%	0.335	C	S	.	.			trans	-172.9	170.6	176.4	0	0	0	0	0	112.7	N43 Y254	G41-N43 PolarHBondContact O-N 3.25Å; G41-Y254 PolarHBondContact N-O 2.9Å; G41-Y254 CarbonylContact O-C 3.57Å; G41-Y254 VanDerWaalsContact O-CA 3.22Å; G41-Y254 WeakPolarHBondContact O-CA 3.04Å; G41-Y254 VanDerWaalsContact O-CB 3.31Å; G41-Y254 WeakPolarHBondContact O-CB 3.49Å; G41-Y254 VanDerWaalsContact O-O 3.07Å
42	L	94.5	Very high	88.7	Confident	84 Å²	84	62.2 Å²	62.2	44%	0.44	34%	0.343	S	S	.	.			trans	-67.5	104.5	171.2	-67.6	174.3	0	0	0	109.6	Y21 E22 Y25 Y254	Y21-L42 HydrophobicContact CD1-CD2 4.34Å; Y21-L42 HydrophobicContact CE1-CD2 3.85Å; E22-L42 HydrophobicContact CB-CD2 4.44Å; E22-L42 HydrophobicContact CG-CD1 4.34Å; E22-L42 HydrophobicContact CG-CD2 4.06Å; Y25-L42 HydrophobicContact CD1-CD1 4.34Å; Y25-L42 HydrophobicContact CD1-CD2 3.65Å; Y25-L42 HydrophobicContact CD1-CG 3.74Å; Y25-L42 HydrophobicContact CD2-CD2 4.28Å; Y25-L42 HydrophobicContact CE1-CD2 4.39Å; Y25-L42 HydrophobicContact CE1-CG 4Å; Y25-L42 HydrophobicContact CG-CD2 3.58Å; Y25-L42 HydrophobicContact CG-CG 4.07Å; L42-Y254 HydrophobicContact CD2-CE1 4.39Å
43	N	93.4	Very high	89.8	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	31%	0.312	C	S	.	.			trans	-75.4	123.5	174.5	-171	-44.5	0	0	0	110.7	Y21 G41 A45 F46 L253 Y255 I256 F297 G298	Y21-N43 WeakPolarHBondContact OH-CA 3.5Å; Y21-N43 WeakPolarHBondContact OH-CB 3.35Å; Y21-N43 PolarHBondContact OH-N 3.19Å; Y21-N43 PolarHBondContact OH-O 3.08Å; G41-N43 PolarHBondContact O-N 3.25Å; N43-A45 PolarHBondContact O-N 3.37Å; N43-A45 VanDerWaalsContact OD1-CB 3.26Å; N43-A45 WeakPolarHBondContact OD1-CB 3.39Å; N43-A45 PolarHBondContact OD1-N 3.38Å; N43-F46 HydrophobicContact CB-CD2 4.11Å; N43-F46 PolarHBondContact O-N 2.69Å; N43-L253 WeakPolarHBondContact CB-O 3.48Å; N43-Y255 PolarHBondContact ND2-O 3.26Å; N43-I256 HydrophobicContact CB-CD1 4.2Å; N43-F297 WeakPolarHBondContact ND2-CD2 3.48Å; N43-F297 WeakPolarHBondContact ND2-CE2 3.39Å; N43-G298 PolarHBondContact ND2-N 2.79Å
44	P	92	Very high	90.9	Very high	83 Å²	83	54.9 Å²	54.9	54%	0.539	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-61	-25.8	-178.1	-24.5	34.1	0	0	0	114.7	F46 S47	P44-F46 PolarHBondContact O-N 3.42Å; P44-F46 VanDerWaalsContact O-N 3.09Å; P44-S47 PolarHBondContact O-N 3.26Å
45	A	91.1	Very high	91.5	Very high	16 Å²	16	49.6 Å²	49.6	13%	0.132	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-59.5	-22.4	178.7	0	0	0	0	0	113	N43 K49 F297	N43-A45 PolarHBondContact O-N 3.37Å; N43-A45 VanDerWaalsContact OD1-CB 3.26Å; N43-A45 WeakPolarHBondContact OD1-CB 3.39Å; N43-A45 PolarHBondContact OD1-N 3.38Å; A45-K49 WeakPolarHBondContact O-CE 3.29Å; A45-F297 HydrophobicContact CB-CB 4.01Å
46	F	91.9	Very high	91.6	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-116.2	5.1	-177.9	-52.9	-58.4	0	0	0	114.4	Y21 N43 P44 S48 K49 I54 F57 L253 W293 F297	Y21-F46 HydrophobicContact CD1-CB 4.23Å; Y21-F46 WeakPolarHBondContact CD1-O 3.33Å; Y21-F46 HydrophobicContact CD2-CB 3.98Å; Y21-F46 HydrophobicContact CE1-CB 3.95Å; Y21-F46 HydrophobicContact CE2-CB 3.67Å; Y21-F46 HydrophobicContact CE2-CD2 4.16Å; Y21-F46 HydrophobicContact CE2-CG 4.3Å; Y21-F46 HydrophobicContact CG-CB 4.24Å; N43-F46 HydrophobicContact CB-CD2 4.11Å; N43-F46 PolarHBondContact O-N 2.69Å; P44-F46 PolarHBondContact O-N 3.42Å; P44-F46 VanDerWaalsContact O-N 3.09Å; F46-S48 PolarHBondContact O-N 2.68Å; F46-K49 WeakPolarHBondContact O-CB 3.47Å; F46-K49 PolarHBondContact O-N 3.37Å; F46-I54 HydrophobicContact CB-CD1 3.87Å; F46-I54 HydrophobicContact CB-CG1 4.39Å; F46-I54 HydrophobicContact CD1-CD1 4.06Å; F46-I54 HydrophobicContact CD1-CG1 3.8Å; F46-I54 HydrophobicContact CD1-CG2 4.11Å; F46-I54 HydrophobicContact CE1-CG1 4.45Å; F46-I54 HydrophobicContact CE1-CG2 3.95Å; F46-I54 HydrophobicContact CG-CD1 4.1Å; F46-I54 HydrophobicContact CG-CG1 4.35Å; F46-F57 HydrophobicContact CD1-CE2 4.44Å; F46-F57 HydrophobicContact CE1-CD2 4.21Å; F46-F57 HydrophobicContact CE1-CE2 4.35Å; F46-L253 HydrophobicContact CD2-CB 4.17Å; F46-L253 WeakPolarHBondContact CD2-O 3.37Å; F46-L253 HydrophobicContact CE2-CB 4.14Å; F46-L253 HydrophobicContact CE2-CD2 4.09Å; F46-L253 VanDerWaalsContact CE2-O 3.31Å; F46-L253 WeakPolarHBondContact CE2-O 3.25Å; F46-L253 HydrophobicContact CZ-CD2 3.98Å; F46-W293 HydrophobicContact CE1-CD2 4.31Å; F46-W293 HydrophobicContact CE1-CE3 4.18Å; F46-W293 HydrophobicContact CE2-CE3 4.11Å; F46-W293 HydrophobicContact CE2-CZ3 4.14Å; F46-W293 AromaticContact CZ-CD2 3.89Å; F46-W293 HydrophobicContact CZ-CD2 3.89Å; F46-W293 AromaticContact CZ-CE3 3.33Å; F46-W293 HydrophobicContact CZ-CE3 3.33Å; F46-W293 HydrophobicContact CZ-CH2 4.14Å; F46-W293 AromaticContact CZ-CZ3 3.48Å; F46-W293 HydrophobicContact CZ-CZ3 3.48Å; F46-W293 VanDerWaalsContact CZ-CZ3 3.48Å; F46-F297 HydrophobicContact CE2-CD2 4.06Å; F46-F297 HydrophobicContact CE2-CE2 4.15Å; F46-F297 HydrophobicContact CZ-CD2 4.39Å
47	S	88.7	Confident	91.7	Very high	66 Å²	66	44.1 Å²	44.1	46%	0.462	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	131.7	-178.5	-171	0	0	0	0	110.4	P44 K49	P44-S47 PolarHBondContact O-N 3.26Å; S47-K49 PolarHBondContact O-N 3.29Å
48	S	82.5	Confident	91.7	Very high	96 Å²	96	43 Å²	43	67%	0.671	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.8	7.3	177.8	-45.8	0	0	0	0	115.7	E22 F46	E22-S48 PolarHBondContact OE1-N 2.8Å; F46-S48 PolarHBondContact O-N 2.68Å
49	K	86.2	Confident	91.7	Very high	28 Å²	28	42.5 Å²	42.5	12%	0.122	24%	0.241	C	C	.	.			trans	-83.2	146	176.7	-60.9	-166.3	-175.4	-63.4	0	111	Y21 A45 F46 S47 Q53 I54 F57	Y21-K49 WeakPolarHBondContact CB-O 3.28Å; A45-K49 WeakPolarHBondContact O-CE 3.29Å; F46-K49 WeakPolarHBondContact O-CB 3.47Å; F46-K49 PolarHBondContact O-N 3.37Å; S47-K49 PolarHBondContact O-N 3.29Å; K49-Q53 VanDerWaalsContact CB-OE1 3.29Å; K49-Q53 HydrophobicContact CD-CG 4.4Å; K49-Q53 VanDerWaalsContact CG-OE1 3.31Å; K49-I54 HydrophobicContact CB-CD1 4.22Å; K49-I54 HydrophobicContact CB-CG1 3.9Å; K49-F57 HydrophobicContact CD-CE2 3.9Å; K49-F57 HydrophobicContact CD-CZ 3.91Å
50	S	89.4	Confident	91.8	Very high	49 Å²	49	36.3 Å²	36.3	34%	0.343	22%	0.215	S	C	.	.			trans	-76.5	156.4	169.3	65.4	0	0	0	0	111	K52 Q53 I54	S50-K52 PolarHBondContact O-N 3.05Å; S50-Q53 WeakPolarHBondContact O-CB 3.37Å; S50-Q53 PolarHBondContact O-N 3.48Å; S50-Q53 VanDerWaalsContact O-N 3.09Å; S50-Q53 WeakPolarHBondContact OG-CB 3.42Å; S50-Q53 PolarHBondContact OG-N 3.29Å; S50-I54 WeakPolarHBondContact O-CG1 3.3Å; S50-I54 PolarHBondContact O-N 3.27Å
51	L	89.7	Confident	91.8	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-33.2	172.3	-80.2	-170.4	0	0	0	112	E20 I24 Q53 I54 S55 M250 L253	E20-L51 HydrophobicContact CG-CG 4.08Å; E20-L51 WeakPolarHBondContact OE2-CB 3.48Å; E20-L51 PolarHBondContact OE2-N 3.17Å; I24-L51 HydrophobicContact CD1-CD1 3.42Å; I24-L51 VanDerWaalsContact CD1-CD1 3.42Å; I24-L51 HydrophobicContact CD1-CD2 3.7Å; I24-L51 HydrophobicContact CD1-CG 3.52Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.48Å; L51-I54 PolarHBondContact O-N 3.48Å; L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.17Å; L51-S55 PolarHBondContact O-N 2.99Å; L51-S55 PolarHBondContact O-OG 2.8Å; L51-M250 HydrophobicContact CD1-CE 3.66Å; L51-M250 HydrophobicContact CD2-CE 4.34Å; L51-L253 HydrophobicContact CD2-CD1 4.03Å
52	K	89.4	Confident	91.8	Very high	178 Å²	178	36.7 Å²	36.7	77%	0.774	22%	0.216	S	C	*	.	H	α-helix	trans	-60.7	-43.6	175.7	-176.3	-179	176.2	-173.7	0	111	S50 S56	S50-K52 PolarHBondContact O-N 3.05Å; K52-S56 PolarHBondContact O-N 2.88Å; K52-S56 VanDerWaalsContact O-N 3.12Å
53	Q	88.4	Confident	91.4	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-67.9	-43.4	177.2	-172	-177.6	18.3	0	0	111.6	K49 S50 L51 S55 S56 F57	K49-Q53 VanDerWaalsContact CB-OE1 3.29Å; K49-Q53 HydrophobicContact CD-CG 4.4Å; K49-Q53 VanDerWaalsContact CG-OE1 3.31Å; S50-Q53 WeakPolarHBondContact O-CB 3.37Å; S50-Q53 PolarHBondContact O-N 3.48Å; S50-Q53 VanDerWaalsContact O-N 3.09Å; S50-Q53 WeakPolarHBondContact OG-CB 3.42Å; S50-Q53 PolarHBondContact OG-N 3.29Å; L51-Q53 VanDerWaalsContact C-N 3.32Å; L51-Q53 PolarHBondContact O-N 3.48Å; Q53-S55 VanDerWaalsContact C-N 3.3Å; Q53-S55 PolarHBondContact O-N 2.78Å; Q53-S56 PolarHBondContact O-N 2.74Å; Q53-S56 PolarHBondContact O-OG 3.05Å; Q53-F57 HydrophobicContact CG-CE1 4.09Å; Q53-F57 HydrophobicContact CG-CZ 3.9Å; Q53-F57 WeakPolarHBondContact O-CD1 3.38Å; Q53-F57 WeakPolarHBondContact O-CE1 3.21Å
54	I	90.9	Very high	91	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-41.8	177.5	-62.6	170.2	0	0	0	110.6	Y21 F46 K49 S50 L51 S56 F57 L253	Y21-I54 HydrophobicContact CD2-CD1 3.95Å; Y21-I54 HydrophobicContact CG-CD1 4.44Å; F46-I54 HydrophobicContact CB-CD1 3.87Å; F46-I54 HydrophobicContact CB-CG1 4.39Å; F46-I54 HydrophobicContact CD1-CD1 4.06Å; F46-I54 HydrophobicContact CD1-CG1 3.8Å; F46-I54 HydrophobicContact CD1-CG2 4.11Å; F46-I54 HydrophobicContact CE1-CG1 4.45Å; F46-I54 HydrophobicContact CE1-CG2 3.95Å; F46-I54 HydrophobicContact CG-CD1 4.1Å; F46-I54 HydrophobicContact CG-CG1 4.35Å; K49-I54 HydrophobicContact CB-CD1 4.22Å; K49-I54 HydrophobicContact CB-CG1 3.9Å; S50-I54 WeakPolarHBondContact O-CG1 3.3Å; S50-I54 PolarHBondContact O-N 3.27Å; L51-I54 PolarHBondContact O-N 3.48Å; I54-S56 VanDerWaalsContact C-N 3.25Å; I54-S56 PolarHBondContact O-N 2.86Å; I54-F57 WeakPolarHBondContact O-CB 3.46Å; I54-F57 PolarHBondContact O-N 3.2Å; I54-F57 VanDerWaalsContact O-N 3.07Å; I54-L253 HydrophobicContact CD1-CD1 4.06Å; I54-L253 HydrophobicContact CG2-CD1 3.76Å; I54-L253 HydrophobicContact CG2-CD2 3.43Å; I54-L253 VanDerWaalsContact CG2-CD2 3.43Å; I54-L253 HydrophobicContact CG2-CG 4.22Å
55	S	91.8	Very high	90.5	Very high	44 Å²	44	39.9 Å²	39.9	31%	0.308	22%	0.222	S	C	.	.	H	α-helix	trans	-64.8	-28.8	178.1	-55.4	0	0	0	0	112.3	L51 Q53 F57 L58	L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.17Å; L51-S55 PolarHBondContact O-N 2.99Å; L51-S55 PolarHBondContact O-OG 2.8Å; Q53-S55 VanDerWaalsContact C-N 3.3Å; Q53-S55 PolarHBondContact O-N 2.78Å; S55-F57 PolarHBondContact O-N 2.75Å; S55-L58 WeakPolarHBondContact O-CB 3.32Å; S55-L58 PolarHBondContact O-N 2.84Å; S55-L58 VanDerWaalsContact O-N 3.07Å
56	S	91.7	Very high	89.8	Confident	32 Å²	32	48.2 Å²	48.2	22%	0.224	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.4	175.3	71.1	0	0	0	0	113.5	K52 Q53 I54 L58 G108	K52-S56 PolarHBondContact O-N 2.88Å; K52-S56 VanDerWaalsContact O-N 3.12Å; Q53-S56 PolarHBondContact O-N 2.74Å; Q53-S56 PolarHBondContact O-OG 3.05Å; I54-S56 VanDerWaalsContact C-N 3.25Å; I54-S56 PolarHBondContact O-N 2.86Å; S56-L58 VanDerWaalsContact C-N 3.33Å; S56-G108 WeakPolarHBondContact O-CA 3.49Å; S56-G108 PolarHBondContact O-N 3.49Å; S56-G108 VanDerWaalsContact O-N 3.13Å
57	F	93.9	Very high	88.9	Confident	8 Å²	8	50.6 Å²	50.6	4%	0.035	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.7	172.8	-50.1	-19.2	0	0	0	111.9	F46 K49 Q53 I54 S55 G59 Q104 N106	F46-F57 HydrophobicContact CD1-CE2 4.44Å; F46-F57 HydrophobicContact CE1-CD2 4.21Å; F46-F57 HydrophobicContact CE1-CE2 4.35Å; K49-F57 HydrophobicContact CD-CE2 3.9Å; K49-F57 HydrophobicContact CD-CZ 3.91Å; Q53-F57 HydrophobicContact CG-CE1 4.09Å; Q53-F57 HydrophobicContact CG-CZ 3.9Å; Q53-F57 WeakPolarHBondContact O-CD1 3.38Å; Q53-F57 WeakPolarHBondContact O-CE1 3.21Å; I54-F57 WeakPolarHBondContact O-CB 3.46Å; I54-F57 PolarHBondContact O-N 3.2Å; I54-F57 VanDerWaalsContact O-N 3.07Å; S55-F57 PolarHBondContact O-N 2.75Å; F57-G59 VanDerWaalsContact C-N 3.32Å; F57-G59 PolarHBondContact O-N 3.45Å; F57-G59 VanDerWaalsContact O-N 3.11Å; F57-Q104 PolarHBondContact O-NE2 2.97Å; F57-N106 HydrophobicContact CE1-CB 4.11Å
58	L	96.7	Very high	88.3	Confident	17 Å²	17	50.5 Å²	50.5	9%	0.089	28%	0.28	C	S	.	.			trans	-89.6	65.9	-175.6	-51.4	-176.2	0	0	0	110.8	S55 S56 V248 L268 G270 H271 W293	S55-L58 WeakPolarHBondContact O-CB 3.32Å; S55-L58 PolarHBondContact O-N 2.84Å; S55-L58 VanDerWaalsContact O-N 3.07Å; S56-L58 VanDerWaalsContact C-N 3.33Å; L58-V248 HydrophobicContact CD1-CB 4.06Å; L58-V248 HydrophobicContact CD1-CG1 4.12Å; L58-V248 HydrophobicContact CD2-CB 4.09Å; L58-V248 HydrophobicContact CD2-CG1 4.18Å; L58-V248 HydrophobicContact CD2-CG2 3.87Å; L58-L268 HydrophobicContact CD1-CB 3.58Å; L58-G270 CarbonylContact C-O 3.55Å; L58-G270 VanDerWaalsContact C-O 3.23Å; L58-G270 WeakPolarHBondContact CA-O 3.27Å; L58-G270 WeakPolarHBondContact CB-O 3.4Å; L58-H271 HydrophobicContact CD2-CB 4.07Å; L58-W293 HydrophobicContact CD2-CH2 4.48Å; L58-W293 HydrophobicContact CD2-CZ2 3.86Å
59	G	97.3	Very high	88.1	Confident	4 Å²	4	49.9 Å²	49.9	4%	0.041	27%	0.269	C	S	.	.			trans	-89	9.6	-173.2	0	0	0	0	0	115.7	F57 L61 G108 C110 G153 G154	F57-G59 VanDerWaalsContact C-N 3.32Å; F57-G59 PolarHBondContact O-N 3.45Å; F57-G59 VanDerWaalsContact O-N 3.11Å; G59-L61 PolarHBondContact O-N 2.75Å; G59-G108 WeakPolarHBondContact CA-O 3.27Å; G59-C110 VanDerWaalsContact C-SG 3.6Å; G59-C110 PolarHBondContact N-SG 3.18Å; G59-G153 CarbonylContact O-C 3.54Å; G59-G153 WeakPolarHBondContact O-CA 3.48Å; G59-G154 PolarHBondContact O-N 3.1Å
60	D	97.9	Very high	88.1	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.021	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-86	110.2	176.6	-175	-3.4	0	0	0	110.1	T62 C110 S245 G270 A272	D60-T62 VanDerWaalsContact C-N 3.34Å; D60-T62 WeakPolarHBondContact OD1-CB 3.28Å; D60-T62 PolarHBondContact OD1-N 3.5Å; D60-T62 PolarHBondContact OD1-OG1 3.16Å; D60-C110 PolarHBondContact N-SG 3.04Å; D60-S245 WeakPolarHBondContact OD2-CB 3.49Å; D60-S245 PolarHBondContact OD2-OG 2.8Å; D60-G270 PolarHBondContact N-O 2.67Å; D60-G270 WeakPolarHBondContact O-CA 3.45Å; D60-A272 HydrophobicContact CB-CB 3.93Å
61	L	96.4	Very high	88.3	Confident	31 Å²	31	51.8 Å²	51.8	16%	0.162	29%	0.291	C	S	.	.			trans	-89.7	-1.7	-177.9	-57.6	-179.5	0	0	0	112.4	G59 L63 L64 F149 G154 Y155	G59-L61 PolarHBondContact O-N 2.75Å; L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 2.8Å; L61-L64 HydrophobicContact CD2-CD1 4.11Å; L61-L64 WeakPolarHBondContact O-CB 3.19Å; L61-L64 PolarHBondContact O-N 3.07Å; L61-F149 HydrophobicContact CD1-CD2 3.8Å; L61-F149 HydrophobicContact CD1-CE2 4.02Å; L61-G154 PolarHBondContact N-O 2.78Å; L61-Y155 HydrophobicContact CB-CD1 4.12Å; L61-Y155 HydrophobicContact CB-CE1 3.47Å; L61-Y155 VanDerWaalsContact CB-CE1 3.47Å
62	T	93.4	Very high	88.6	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.067	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-66.4	-32.2	-170.4	-44.1	0	0	0	0	112.3	D60 L64 R65 P156 R317	D60-T62 VanDerWaalsContact C-N 3.34Å; D60-T62 WeakPolarHBondContact OD1-CB 3.28Å; D60-T62 PolarHBondContact OD1-N 3.5Å; D60-T62 PolarHBondContact OD1-OG1 3.16Å; T62-L64 PolarHBondContact O-N 3.01Å; T62-R65 PolarHBondContact O-N 3.12Å; T62-R65 VanDerWaalsContact O-N 3.12Å; T62-P156 WeakPolarHBondContact OG1-CD 3.14Å; T62-R317 PolarHBondContact O-NE 2.81Å; T62-R317 PolarHBondContact O-NH2 3.09Å
63	L	86.8	Confident	88.8	Confident	31 Å²	31	49.9 Å²	49.9	16%	0.162	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-64.1	-21.7	174.8	-62.7	-173.9	0	0	0	113.2	L61 S247	L61-L63 VanDerWaalsContact C-N 3.29Å; L61-L63 PolarHBondContact O-N 2.8Å; L63-S247 VanDerWaalsContact CD1-OG 3.25Å; L63-S247 WeakPolarHBondContact CD1-OG 2.98Å
64	L	84.8	Confident	88.9	Confident	131 Å²	131	52.9 Å²	52.9	69%	0.686	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-85.4	-13.5	176.9	-54.6	177.9	0	0	0	113.2	L61 T62	L61-L64 HydrophobicContact CD2-CD1 4.11Å; L61-L64 WeakPolarHBondContact O-CB 3.19Å; L61-L64 PolarHBondContact O-N 3.07Å; T62-L64 PolarHBondContact O-N 3.01Å
65	R	82.7	Confident	88.7	Confident	72 Å²	72	60.8 Å²	60.8	27%	0.272	34%	0.34	S	S	.	.	S	Bend	trans	-91.2	131.8	-178.2	-173.1	173.9	177.8	171.2	0.8	110.8	T62 G67 N69 Y155 D158 R317	T62-R65 PolarHBondContact O-N 3.12Å; T62-R65 VanDerWaalsContact O-N 3.12Å; R65-G67 PolarHBondContact O-N 3.2Å; R65-N69 PolarHBondContact NH2-ND2 2.91Å; R65-N69 PolarHBondContact NH2-OD1 3.33Å; R65-N69 VanDerWaalsContact NH2-OD1 3.16Å; R65-Y155 HydrophobicContact CB-CE1 4.37Å; R65-D158 IonicContact NH1-OD1 3.47Å; R65-D158 IonicContact NH1-OD2 3.13Å; R65-R317 PolarHBondContact O-NH2 3.01Å
66	E	75.1	Confident	88.2	Confident	192 Å²	192	62 Å²	62	90%	0.897	34%	0.342	S	S	*	.	S	Bend	trans	-72.2	123.5	171.8	-67.7	-171.1	168.4	0	0	110.6
67	G	74.1	Confident	87.5	Confident	50 Å²	50	65.2 Å²	65.2	52%	0.515	37%	0.371	S	S	.	.	S	Bend	trans	76.8	-172.7	177.7	0	0	0	0	0	115.2	R65	R65-G67 PolarHBondContact O-N 3.2Å
68	T	75.1	Confident	86.9	Confident	65 Å²	65	70.9 Å²	70.9	40%	0.399	40%	0.397	S	S	.	.			trans	-124.9	137.1	174.8	55.4	0	0	0	0	108.7
69	N	77.9	Confident	86.3	Confident	83 Å²	83	79.8 Å²	79.8	44%	0.444	44%	0.435	S	S	.	.			trans	-86	153.1	165.6	-81.8	19.7	0	0	0	109.7	R65 H224	R65-N69 PolarHBondContact NH2-ND2 2.91Å; R65-N69 PolarHBondContact NH2-OD1 3.33Å; R65-N69 VanDerWaalsContact NH2-OD1 3.16Å; N69-H224 PolarHBondContact O-CD2 3.03Å; N69-H224 PolarHBondContact O-NE2 3.06Å
70	G	87	Confident	85.9	Confident	44 Å²	44	81.8 Å²	81.8	45%	0.454	44%	0.444	S	S	.	.	S	Bend	trans	88.8	180	174.2	0	0	0	0	0	115.1
71	P	94	Very high	85.7	Confident	72 Å²	72	89 Å²	89	47%	0.468	48%	0.483	S	S	.	.			trans	-74	140.6	-170	29.2	-34.4	0	0	0	112.1	Y222 Y223 H224	P71-Y222 WeakPolarHBondContact CG-O 3.2Å; P71-Y223 CarbonylContact O-C 3.6Å; P71-Y223 VanDerWaalsContact O-CA 3.29Å; P71-Y223 WeakPolarHBondContact O-CA 3.29Å; P71-Y223 WeakPolarHBondContact O-CB 3.35Å; P71-H224 PolarHBondContact O-N 2.91Å
72	L	94.9	Very high	85.7	Confident	89 Å²	89	88.4 Å²	88.4	47%	0.466	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.7	177.6	-176.6	68.1	0	0	0	110.8	T74 H224 K226	L72-T74 HydrophobicContact CB-CG2 4.44Å; L72-T74 HydrophobicContact CD2-CG2 3.58Å; L72-T74 HydrophobicContact CG-CG2 3.65Å; L72-T74 PolarHBondContact O-N 3.27Å; L72-H224 HydrophobicContact CD1-CB 3.76Å; L72-K226 HydrophobicContact CD1-CB 4.37Å
73	K	94.5	Very high	85.9	Confident	56 Å²	56	90.3 Å²	90.3	24%	0.243	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	114.2	168.8	-171.8	173.4	177.1	178	0	108.6	Y223 H224 L225 K226 L231 E235	K73-Y223 HydrophobicContact CB-CD2 3.94Å; K73-Y223 HydrophobicContact CB-CG 4.38Å; K73-Y223 HydrophobicContact CD-CD2 3.96Å; K73-Y223 HydrophobicContact CD-CE2 3.74Å; K73-H224 PolarHBondContact N-O 3.24Å; K73-L225 HydrophobicContact CB-CD2 4.05Å; K73-L225 HydrophobicContact CD-CD2 3.84Å; K73-L225 HydrophobicContact CG-CD2 4.33Å; K73-K226 PolarHBondContact O-N 3.03Å; K73-L231 HydrophobicContact CG-CD1 4.35Å; K73-L231 WeakPolarHBondContact O-CD2 3.21Å; K73-E235 IonicContact NZ-OE2 3.65Å; K73-E235 PolarHBondContact NZ-OE2 3.48Å
74	T	90.1	Very high	86.5	Confident	74 Å²	74	92.8 Å²	92.8	45%	0.454	51%	0.509	S	S	.	.			trans	-115.1	-22.4	-176.8	55.6	0	0	0	0	113.9	L72 K226	L72-T74 HydrophobicContact CB-CG2 4.44Å; L72-T74 HydrophobicContact CD2-CG2 3.58Å; L72-T74 HydrophobicContact CG-CG2 3.65Å; L72-T74 PolarHBondContact O-N 3.27Å; T74-K226 HydrophobicContact CG2-CB 4.37Å; T74-K226 HydrophobicContact CG2-CD 4.27Å
75	K	87.3	Confident	87.1	Confident	167 Å²	167	90.9 Å²	90.9	73%	0.726	50%	0.5	S	S	*	.			trans	-104.2	136.1	-173.3	-65.3	-177	-179.6	179.6	0	110.8
76	I	81.7	Confident	87.9	Confident	69 Å²	69	88.1 Å²	88.1	35%	0.354	49%	0.489	S	S	.	.			trans	-77.8	115.1	161.6	-69.6	165.6	0	0	0	106.5	E78 T230 L231	I76-E78 VanDerWaalsContact C-N 3.34Å; I76-E78 WeakPolarHBondContact CG2-O 3.47Å; I76-T230 HydrophobicContact CD1-CG2 3.69Å; I76-L231 HydrophobicContact CG1-CB 4.27Å; I76-L231 HydrophobicContact CG1-CD1 3.93Å
77	A	75.5	Confident	89	Confident	100 Å²	100	80.5 Å²	80.5	83%	0.826	46%	0.455	S	S	*	.	S	Bend	trans	-70.3	-33.6	-175.4	0	0	0	0	0	112.3
78	E	82.4	Confident	90.2	Very high	126 Å²	126	78.1 Å²	78.1	59%	0.589	43%	0.43	S	S	*	.	S	Bend	trans	-145.1	137.2	-178	-177.9	177	-167.9	0	0	109.2	I76 I80 Q234	I76-E78 VanDerWaalsContact C-N 3.34Å; I76-E78 WeakPolarHBondContact CG2-O 3.47Å; E78-I80 HydrophobicContact CB-CG1 4.45Å; E78-I80 HydrophobicContact CG-CG1 4.21Å; E78-I80 PolarHBondContact O-N 2.92Å; E78-I80 VanDerWaalsContact O-N 3.15Å; E78-Q234 PolarHBondContact O-NE2 2.66Å; E78-Q234 PolarHBondContact O-OE1 3.1Å
79	K	83.1	Confident	91.3	Very high	205 Å²	205	79.1 Å²	79.1	89%	0.891	43%	0.427	S	S	*	.			trans	-76.5	101	174.9	-172.2	-179.6	-178.5	-176.4	0	108.7
80	I	89.7	Confident	92.3	Very high	45 Å²	45	80.3 Å²	80.3	23%	0.231	44%	0.437	C	S	.	.			trans	-98.6	137	176.4	-62.5	-175	0	0	0	109.2	E78 L82 Y237 Q238	E78-I80 HydrophobicContact CB-CG1 4.45Å; E78-I80 HydrophobicContact CG-CG1 4.21Å; E78-I80 PolarHBondContact O-N 2.92Å; E78-I80 VanDerWaalsContact O-N 3.15Å; I80-L82 HydrophobicContact CG2-CD2 4.03Å; I80-L82 HydrophobicContact CG2-CG 4.46Å; I80-L82 PolarHBondContact O-N 2.92Å; I80-Y237 HydrophobicContact CG2-CD1 4.45Å; I80-Y237 HydrophobicContact CG2-CE1 4.27Å; I80-Q238 HydrophobicContact CD1-CG 4.27Å
81	D	93.4	Very high	92.8	Very high	156 Å²	156	82.1 Å²	82.1	83%	0.834	43%	0.433	S	S	*	.			trans	-75.4	107.7	167.5	-167.3	29.7	0	0	0	109
82	L	96.6	Very high	93.1	Very high	19 Å²	19	79.6 Å²	79.6	10%	0.099	42%	0.415	C	S	.	.			trans	-92.8	135.3	-175.3	-66.5	168.8	0	0	0	109.5	I80 T230 R233 Q234 Y237 W278	I80-L82 HydrophobicContact CG2-CD2 4.03Å; I80-L82 HydrophobicContact CG2-CG 4.46Å; I80-L82 PolarHBondContact O-N 2.92Å; L82-T230 HydrophobicContact CD1-CG2 4.36Å; L82-R233 HydrophobicContact CD1-CB 3.72Å; L82-Q234 HydrophobicContact CD1-CB 4.16Å; L82-Y237 HydrophobicContact CD2-CD1 3.99Å; L82-Y237 HydrophobicContact CD2-CD2 4.18Å; L82-Y237 HydrophobicContact CD2-CG 3.7Å; L82-W278 HydrophobicContact CB-CZ2 4.36Å
83	P	97.8	Very high	93.2	Very high	51 Å²	51	80 Å²	80	33%	0.331	42%	0.422	S	S	.	.			trans	-64.2	153.3	-179.6	29.6	-37	0	0	0	111.3	N85 F86 Y237 W278	P83-N85 WeakPolarHBondContact CB-O 3.49Å; P83-N85 PolarHBondContact O-N 3.41Å; P83-F86 HydrophobicContact CG-CB 4.27Å; P83-F86 HydrophobicContact CG-CD2 4.36Å; P83-Y237 HydrophobicContact CG-CE2 4.23Å; P83-W278 HydrophobicContact CG-CZ2 4.25Å; P83-W278 PolarHBondContact O-NE1 3.31Å
84	T	98.1	Very high	93.3	Very high	83 Å²	83	81 Å²	81	51%	0.509	43%	0.425	S	S	.	.	S	Bend	trans	-59.3	-37.5	174.3	-53.2	0	0	0	0	111.9	W278 G279 E280	T84-W278 PolarHBondContact O-NE1 3.46Å; T84-G279 WeakPolarHBondContact O-CA 3.5Å; T84-E280 HydrophobicContact CG2-CB 3.88Å
85	N	98.7	Very high	93.7	Very high	91 Å²	91	77.7 Å²	77.7	49%	0.487	41%	0.405	S	S	.	.			trans	-123.2	135.1	178.7	-59.4	-71.2	0	0	0	110.1	P83 W278 G279 E280	P83-N85 WeakPolarHBondContact CB-O 3.49Å; P83-N85 PolarHBondContact O-N 3.41Å; N85-W278 WeakPolarHBondContact CA-O 3.2Å; N85-G279 WeakPolarHBondContact OD1-CA 3.45Å; N85-E280 PolarHBondContact OD1-N 3.02Å; N85-E280 VanDerWaalsContact OD1-N 3.1Å
86	F	98.8	Very high	94.1	Very high	14 Å²	14	75.8 Å²	75.8	6%	0.061	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	135	176.6	-178.9	-90.9	0	0	0	109.9	P83 A88 H91 W92 I236 Y237 G277 W278	P83-F86 HydrophobicContact CG-CB 4.27Å; P83-F86 HydrophobicContact CG-CD2 4.36Å; F86-A88 HydrophobicContact CE1-CB 4.19Å; F86-H91 HydrophobicContact CE2-CB 3.72Å; F86-H91 AromaticContact CE2-CD2 3.59Å; F86-H91 AromaticContact CE2-CG 3.44Å; F86-H91 VanDerWaalsContact CE2-CG 3.44Å; F86-H91 AromaticContact CE2-ND1 3.86Å; F86-H91 HydrophobicContact CZ-CB 3.75Å; F86-H91 AromaticContact CZ-CD2 3.62Å; F86-H91 AromaticContact CZ-CG 3.72Å; F86-W92 HydrophobicContact CE1-CH2 4.36Å; F86-W92 AromaticContact CE1-CZ3 4Å; F86-W92 HydrophobicContact CE1-CZ3 4Å; F86-W92 AromaticContact CZ-CH2 3.73Å; F86-W92 HydrophobicContact CZ-CH2 3.73Å; F86-W92 AromaticContact CZ-CZ3 3.65Å; F86-W92 HydrophobicContact CZ-CZ3 3.65Å; F86-I236 HydrophobicContact CD1-CG2 4.08Å; F86-I236 HydrophobicContact CE1-CG2 3.77Å; F86-Y237 AromaticContact CD2-CD2 3.53Å; F86-Y237 HydrophobicContact CD2-CD2 3.53Å; F86-Y237 AromaticContact CD2-CE2 3.92Å; F86-Y237 HydrophobicContact CD2-CE2 3.92Å; F86-Y237 AromaticContact CE2-CD2 3.39Å; F86-Y237 HydrophobicContact CE2-CD2 3.39Å; F86-Y237 AromaticContact CE2-CE2 3.81Å; F86-Y237 HydrophobicContact CE2-CE2 3.81Å; F86-Y237 HydrophobicContact CE2-CG 4.36Å; F86-Y237 HydrophobicContact CG-CD2 4.45Å; F86-Y237 HydrophobicContact CZ-CD2 4.24Å; F86-G277 CarbonylContact O-C 3.47Å; F86-G277 VanDerWaalsContact O-CA 3.23Å; F86-G277 WeakPolarHBondContact O-CA 3.11Å; F86-W278 HydrophobicContact CB-CD2 3.75Å; F86-W278 VanDerWaalsContact CB-CE2 3.47Å; F86-W278 HydrophobicContact CB-CE3 3.88Å; F86-W278 HydrophobicContact CB-CH2 3.44Å; F86-W278 VanDerWaalsContact CB-CH2 3.44Å; F86-W278 HydrophobicContact CB-CZ2 3.34Å; F86-W278 HydrophobicContact CB-CZ3 3.71Å; F86-W278 HydrophobicContact CD1-CE3 4.05Å; F86-W278 AromaticContact CD1-CH2 3.76Å; F86-W278 HydrophobicContact CD1-CH2 3.76Å; F86-W278 AromaticContact CD1-CZ3 3.48Å; F86-W278 HydrophobicContact CD1-CZ3 3.48Å; F86-W278 VanDerWaalsContact CD1-CZ3 3.48Å; F86-W278 HydrophobicContact CD2-CH2 4.05Å; F86-W278 HydrophobicContact CD2-CZ2 4.46Å; F86-W278 HydrophobicContact CE1-CZ3 4.25Å; F86-W278 HydrophobicContact CG-CE3 4.27Å; F86-W278 AromaticContact CG-CH2 3.47Å; F86-W278 HydrophobicContact CG-CH2 3.47Å; F86-W278 VanDerWaalsContact CG-CH2 3.47Å; F86-W278 AromaticContact CG-CZ2 3.9Å; F86-W278 HydrophobicContact CG-CZ2 3.9Å; F86-W278 AromaticContact CG-CZ3 3.69Å; F86-W278 HydrophobicContact CG-CZ3 3.69Å; F86-W278 PolarHBondContact N-O 2.85Å; F86-W278 PolarHBondContact O-N 2.75Å; F86-W278 VanDerWaalsContact O-O 3.06Å
87	D	98.8	Very high	94.9	Very high	31 Å²	31	75.3 Å²	75.3	17%	0.166	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.9	175.6	-173.8	-26.7	0	0	0	108.7	R89 T90 H91 L288	D87-R89 PolarHBondContact O-N 3.43Å; D87-R89 VanDerWaalsContact O-N 3.09Å; D87-R89 VanDerWaalsContact OD1-CB 3.23Å; D87-R89 WeakPolarHBondContact OD1-CB 3.26Å; D87-R89 WeakPolarHBondContact OD1-CG 3.36Å; D87-R89 IonicContact OD1-CZ 3.88Å; D87-R89 PolarHBondContact OD1-N 2.74Å; D87-R89 IonicContact OD1-NE 3.87Å; D87-R89 PolarHBondContact OD1-NE 2.62Å; D87-R89 IonicContact OD1-NH2 2.97Å; D87-R89 IonicContact OD2-CZ 2.81Å; D87-R89 VanDerWaalsContact OD2-CZ 3.27Å; D87-R89 IonicContact OD2-NE 2.75Å; D87-R89 PolarHBondContact OD2-NE 2.91Å; D87-R89 VanDerWaalsContact OD2-NE 3.1Å; D87-R89 IonicContact OD2-NH2 3.21Å; D87-R89 PolarHBondContact OD2-NH2 2.76Å; D87-T90 HydrophobicContact CB-CG2 4.39Å; D87-T90 PolarHBondContact O-N 3.29Å; D87-T90 VanDerWaalsContact O-N 3.09Å; D87-T90 PolarHBondContact O-OG1 2.79Å; D87-H91 PolarHBondContact O-N 3.05Å; D87-L288 HydrophobicContact CB-CD2 4.45Å
88	A	98.8	Very high	96	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.2	-26.9	-178.8	0	0	0	0	0	112.8	F86 W92 I98 P241 I276	F86-A88 HydrophobicContact CE1-CB 4.19Å; A88-W92 HydrophobicContact CB-CE3 3.7Å; A88-W92 HydrophobicContact CB-CZ3 3.66Å; A88-W92 PolarHBondContact O-N 3.05Å; A88-I98 HydrophobicContact CB-CD1 4.29Å; A88-I98 HydrophobicContact CB-CG2 3.66Å; A88-P241 HydrophobicContact CB-CG 3.96Å; A88-I276 HydrophobicContact CB-CB 4.3Å; A88-I276 WeakPolarHBondContact CB-O 3.42Å; A88-I276 PolarHBondContact N-O 3.34Å
89	R	98.6	Very high	96.7	Very high	87 Å²	87	66.5 Å²	66.5	33%	0.328	34%	0.344	S	S	.	.	H	α-helix	trans	-69	-37.4	179.4	-57.6	171.3	-67.2	-177.5	-0.7	111.9	D87 P93 I98 I276 I302	D87-R89 PolarHBondContact O-N 3.43Å; D87-R89 VanDerWaalsContact O-N 3.09Å; D87-R89 VanDerWaalsContact OD1-CB 3.23Å; D87-R89 WeakPolarHBondContact OD1-CB 3.26Å; D87-R89 WeakPolarHBondContact OD1-CG 3.36Å; D87-R89 IonicContact OD1-CZ 3.88Å; D87-R89 PolarHBondContact OD1-N 2.74Å; D87-R89 IonicContact OD1-NE 3.87Å; D87-R89 PolarHBondContact OD1-NE 2.62Å; D87-R89 IonicContact OD1-NH2 2.97Å; D87-R89 IonicContact OD2-CZ 2.81Å; D87-R89 VanDerWaalsContact OD2-CZ 3.27Å; D87-R89 IonicContact OD2-NE 2.75Å; D87-R89 PolarHBondContact OD2-NE 2.91Å; D87-R89 VanDerWaalsContact OD2-NE 3.1Å; D87-R89 IonicContact OD2-NH2 3.21Å; D87-R89 PolarHBondContact OD2-NH2 2.76Å; R89-P93 VanDerWaalsContact O-CA 3.32Å; R89-P93 WeakPolarHBondContact O-CA 3.49Å; R89-I98 HydrophobicContact CB-CG2 4.47Å; R89-I98 HydrophobicContact CG-CB 4.19Å; R89-I98 HydrophobicContact CG-CG2 3.59Å; R89-I276 HydrophobicContact CG-CD1 4.32Å; R89-I302 VanDerWaalsContact NH1-CD1 3.31Å
90	T	98.5	Very high	97.4	Very high	108 Å²	108	59.9 Å²	59.9	66%	0.663	32%	0.315	S	S	*	.	H	α-helix	trans	-85.3	-29.1	178.7	63.7	0	0	0	0	111.4	D87	D87-T90 HydrophobicContact CB-CG2 4.39Å; D87-T90 PolarHBondContact O-N 3.29Å; D87-T90 VanDerWaalsContact O-N 3.09Å; D87-T90 PolarHBondContact O-OG1 2.79Å
91	H	98.4	Very high	97.8	Very high	81 Å²	81	58.5 Å²	58.5	38%	0.375	31%	0.308	S	S	.	.	H	α-helix	trans	-75	-36.7	177.3	-164.6	65	0	0	0	112.8	F86 D87 P93	F86-H91 HydrophobicContact CE2-CB 3.72Å; F86-H91 AromaticContact CE2-CD2 3.59Å; F86-H91 AromaticContact CE2-CG 3.44Å; F86-H91 VanDerWaalsContact CE2-CG 3.44Å; F86-H91 AromaticContact CE2-ND1 3.86Å; F86-H91 HydrophobicContact CZ-CB 3.75Å; F86-H91 AromaticContact CZ-CD2 3.62Å; F86-H91 AromaticContact CZ-CG 3.72Å; D87-H91 PolarHBondContact O-N 3.05Å; H91-P93 VanDerWaalsContact C-CD 3.46Å; H91-P93 WeakPolarHBondContact O-CD 3.37Å
92	W	98.4	Very high	98	Very high	19 Å²	19	51.4 Å²	51.4	7%	0.072	27%	0.27	C	S	.	.	S	Bend	trans	-122.7	67.4	175.2	-59.9	-63.1	0	0	0	111.7	F86 A88 Y94 C95 I98 I125 I236 Y237	F86-W92 HydrophobicContact CE1-CH2 4.36Å; F86-W92 AromaticContact CE1-CZ3 4Å; F86-W92 HydrophobicContact CE1-CZ3 4Å; F86-W92 AromaticContact CZ-CH2 3.73Å; F86-W92 HydrophobicContact CZ-CH2 3.73Å; F86-W92 AromaticContact CZ-CZ3 3.65Å; F86-W92 HydrophobicContact CZ-CZ3 3.65Å; A88-W92 HydrophobicContact CB-CE3 3.7Å; A88-W92 HydrophobicContact CB-CZ3 3.66Å; A88-W92 PolarHBondContact O-N 3.05Å; W92-Y94 HydrophobicContact CB-CE2 4.38Å; W92-Y94 AromaticContact CD1-CZ 3.68Å; W92-Y94 PolarHBondContact O-N 3.39Å; W92-Y94 VanDerWaalsContact O-N 3.1Å; W92-C95 HydrophobicContact CB-CB 4.28Å; W92-C95 WeakPolarHBondContact O-CB 3.23Å; W92-C95 PolarHBondContact O-N 3.25Å; W92-I98 HydrophobicContact CB-CD1 3.88Å; W92-I98 HydrophobicContact CE3-CD1 4.18Å; W92-I125 HydrophobicContact CB-CG1 4.29Å; W92-I125 HydrophobicContact CD2-CD1 3.62Å; W92-I125 HydrophobicContact CD2-CG1 3.68Å; W92-I125 HydrophobicContact CD2-CG2 4.32Å; W92-I125 HydrophobicContact CE3-CD1 3.46Å; W92-I125 VanDerWaalsContact CE3-CD1 3.46Å; W92-I125 HydrophobicContact CE3-CG1 4.06Å; W92-I125 HydrophobicContact CG-CD1 4.25Å; W92-I125 HydrophobicContact CG-CG1 3.82Å; W92-I125 HydrophobicContact CH2-CD1 4.18Å; W92-I125 HydrophobicContact CZ2-CD1 4.29Å; W92-I125 HydrophobicContact CZ2-CG2 3.96Å; W92-I125 HydrophobicContact CZ3-CD1 3.79Å; W92-I236 WeakPolarHBondContact CH2-O 3.2Å; W92-Y237 WeakPolarHBondContact CH2-O 3.47Å; W92-Y237 WeakPolarHBondContact CZ2-O 3.44Å
93	P	97.9	Very high	98	Very high	97 Å²	97	53.1 Å²	53.1	63%	0.63	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.3	-173.4	28.4	-36.1	0	0	0	113.4	R89 H91 C95	R89-P93 VanDerWaalsContact O-CA 3.32Å; R89-P93 WeakPolarHBondContact O-CA 3.49Å; H91-P93 VanDerWaalsContact C-CD 3.46Å; H91-P93 WeakPolarHBondContact O-CD 3.37Å; P93-C95 VanDerWaalsContact C-N 3.26Å; P93-C95 PolarHBondContact O-N 2.94Å
94	Y	96.9	Very high	97.9	Very high	77 Å²	77	50.7 Å²	50.7	30%	0.302	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-14.3	174.3	53.3	-101.4	0	0	0	113.3	W92 K96 N128 G129 Q132	W92-Y94 HydrophobicContact CB-CE2 4.38Å; W92-Y94 AromaticContact CD1-CZ 3.68Å; W92-Y94 PolarHBondContact O-N 3.39Å; W92-Y94 VanDerWaalsContact O-N 3.1Å; Y94-K96 PolarHBondContact O-N 3.09Å; Y94-N128 VanDerWaalsContact CE2-C 3.45Å; Y94-G129 VanDerWaalsContact CD2-CA 3.43Å; Y94-Q132 VanDerWaalsContact O-CD 3.24Å; Y94-Q132 PolarHBondContact O-NE2 3.07Å; Y94-Q132 PolarHBondContact O-OE1 2.81Å; Y94-Q132 VanDerWaalsContact O-OE1 3.09Å
95	C	98.2	Very high	97.7	Very high	6 Å²	6	47 Å²	47	4%	0.041	24%	0.24	C	C	.	.			trans	-94.6	82.7	177.4	-67	0	0	0	0	111.4	W92 P93 Y97 I98 C124	W92-C95 HydrophobicContact CB-CB 4.28Å; W92-C95 WeakPolarHBondContact O-CB 3.23Å; W92-C95 PolarHBondContact O-N 3.25Å; P93-C95 VanDerWaalsContact C-N 3.26Å; P93-C95 PolarHBondContact O-N 2.94Å; C95-Y97 PolarHBondContact O-N 2.86Å; C95-Y97 VanDerWaalsContact O-N 3.09Å; C95-I98 HydrophobicContact CB-CD1 3.47Å; C95-I98 VanDerWaalsContact CB-CD1 3.47Å; C95-I98 HydrophobicContact CB-CG1 3.79Å; C95-I98 WeakPolarHBondContact O-CG1 3.14Å; C95-I98 PolarHBondContact O-N 3.25Å; C95-C124 WeakPolarHBondContact CA-SG 3.49Å; C95-C124 HydrophobicContact CB-CB 3.84Å; C95-C124 WeakPolarHBondContact CB-SG 3.36Å; C95-C124 WeakPolarHBondContact SG-CB 3.3Å; C95-C124 CovalentContact SG-SG 2.03Å; C95-C124 PolarHBondContact SG-SG 2.79Å
96	K	96.2	Very high	97.4	Very high	127 Å²	127	44.1 Å²	44.1	55%	0.552	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-57.2	-29.1	-171.8	68.5	-173.4	-179	176	0	115.1	Y94	Y94-K96 PolarHBondContact O-N 3.09Å
97	Y	98.3	Very high	97.2	Very high	59 Å²	59	43.5 Å²	43.5	23%	0.231	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-82.6	-9.6	-175.4	-65	-56.2	0	0	0	114.8	C95 G99 F100 T120 Q132 Y134 R274	C95-Y97 PolarHBondContact O-N 2.86Å; C95-Y97 VanDerWaalsContact O-N 3.09Å; Y97-G99 PolarHBondContact O-N 3.01Å; Y97-F100 HydrophobicContact CD1-CB 4.08Å; Y97-F100 HydrophobicContact CD1-CG 4.31Å; Y97-F100 WeakPolarHBondContact O-CB 3.45Å; Y97-F100 PolarHBondContact O-N 3.06Å; Y97-F100 VanDerWaalsContact O-N 3.07Å; Y97-T120 HydrophobicContact CD2-CG2 3.93Å; Y97-T120 HydrophobicContact CG-CG2 4.07Å; Y97-Q132 WeakPolarHBondContact CE2-O 3.5Å; Y97-Y134 AromaticContact CD1-CD2 3.86Å; Y97-Y134 HydrophobicContact CD1-CD2 3.86Å; Y97-Y134 AromaticContact CE1-CD2 3.75Å; Y97-Y134 HydrophobicContact CE1-CD2 3.75Å; Y97-Y134 HydrophobicContact CG-CD2 4.35Å; Y97-R274 PolarHBondContact O-NH1 2.91Å
98	I	98.5	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-60.4	-39.5	173	-60.3	176.4	0	0	0	109.8	A88 R89 W92 C95 D121 I125 P241 I276	A88-I98 HydrophobicContact CB-CD1 4.29Å; A88-I98 HydrophobicContact CB-CG2 3.66Å; R89-I98 HydrophobicContact CB-CG2 4.47Å; R89-I98 HydrophobicContact CG-CB 4.19Å; R89-I98 HydrophobicContact CG-CG2 3.59Å; W92-I98 HydrophobicContact CB-CD1 3.88Å; W92-I98 HydrophobicContact CE3-CD1 4.18Å; C95-I98 HydrophobicContact CB-CD1 3.47Å; C95-I98 VanDerWaalsContact CB-CD1 3.47Å; C95-I98 HydrophobicContact CB-CG1 3.79Å; C95-I98 WeakPolarHBondContact O-CG1 3.14Å; C95-I98 PolarHBondContact O-N 3.25Å; I98-D121 WeakPolarHBondContact CA-OD1 3.38Å; I98-D121 HydrophobicContact CG1-CB 4Å; I98-D121 WeakPolarHBondContact CG1-OD1 3.22Å; I98-D121 PolarHBondContact N-OD1 2.57Å; I98-I125 HydrophobicContact CD1-CD1 4.16Å; I98-I125 HydrophobicContact CD1-CG1 4.47Å; I98-P241 HydrophobicContact CG2-CG 4.36Å; I98-I276 HydrophobicContact CG2-CB 4.49Å; I98-I276 HydrophobicContact CG2-CG2 4.33Å
99	G	97.3	Very high	97.1	Very high	40 Å²	40	42 Å²	42	41%	0.412	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-84.4	-3.9	177.1	0	0	0	0	0	114.9	Y97	Y97-G99 PolarHBondContact O-N 3.01Å
100	F	98	Very high	97	Very high	67 Å²	67	37.9 Å²	37.9	29%	0.294	20%	0.199	S	C	.	.			trans	-81.8	125.1	-179.5	-172.7	-89	0	0	0	110.3	Y97 R102 Y134 P173 R274	Y97-F100 HydrophobicContact CD1-CB 4.08Å; Y97-F100 HydrophobicContact CD1-CG 4.31Å; Y97-F100 WeakPolarHBondContact O-CB 3.45Å; Y97-F100 PolarHBondContact O-N 3.06Å; Y97-F100 VanDerWaalsContact O-N 3.07Å; F100-R102 HydrophobicContact CD1-CG 3.98Å; F100-R102 HydrophobicContact CE1-CG 4.11Å; F100-Y134 AromaticContact CD1-CE2 3.92Å; F100-Y134 HydrophobicContact CD1-CE2 3.92Å; F100-Y134 AromaticContact CE1-CE2 3.77Å; F100-Y134 HydrophobicContact CE1-CE2 3.77Å; F100-P173 HydrophobicContact CZ-CB 4.19Å; F100-P173 HydrophobicContact CZ-CG 4.14Å; F100-R274 PolarHBondContact O-NH2 3.42Å
101	I	97.9	Very high	97.1	Very high	16 Å²	16	32.8 Å²	32.8	8%	0.082	17%	0.168	C	C	.	.			trans	-91.2	115	175.1	-56	-55.9	0	0	0	108.4	T290 Q295 H300 I302	I101-T290 HydrophobicContact CD1-CG2 3.84Å; I101-Q295 HydrophobicContact CB-CG 3.91Å; I101-Q295 HydrophobicContact CG1-CG 4.19Å; I101-Q295 HydrophobicContact CG2-CG 4.21Å; I101-H300 WeakPolarHBondContact CG1-O 3.17Å; I101-I302 HydrophobicContact CD1-CD1 4.46Å; I101-I302 HydrophobicContact CD1-CG1 3.89Å
102	R	97.4	Very high	97.1	Very high	7 Å²	7	28.9 Å²	28.9	3%	0.026	15%	0.15	C	C	.	.			trans	-78	162.6	174.4	-59.4	-166.8	-174	-157	-2.6	110.7	F100 V113 S117 T120 Y134 I135 D137 S292	F100-R102 HydrophobicContact CD1-CG 3.98Å; F100-R102 HydrophobicContact CE1-CG 4.11Å; R102-V113 HydrophobicContact CB-CG1 3.58Å; R102-V113 HydrophobicContact CG-CG1 4.3Å; R102-S117 WeakPolarHBondContact CD-OG 3.42Å; R102-S117 PolarHBondContact NE-OG 2.95Å; R102-T120 PolarHBondContact NH2-OG1 2.83Å; R102-Y134 WeakPolarHBondContact CD-OH 3.44Å; R102-Y134 HydrophobicContact CG-CE2 4.44Å; R102-Y134 WeakPolarHBondContact CG-OH 3.44Å; R102-Y134 VanDerWaalsContact CZ-CE1 3.45Å; R102-Y134 PolarHBondContact NE-OH 3.38Å; R102-Y134 VanDerWaalsContact NH1-CE1 3.26Å; R102-I135 PolarHBondContact NH1-O 2.99Å; R102-D137 IonicContact CZ-OD1 3.26Å; R102-D137 IonicContact NE-OD1 2.88Å; R102-D137 IonicContact NH1-OD1 2.65Å; R102-D137 PolarHBondContact NH1-OD1 2.86Å; R102-S292 CarbonylContact O-C 3.54Å; R102-S292 VanDerWaalsContact O-CA 3.31Å; R102-S292 WeakPolarHBondContact O-CA 3.1Å
103	D	96	Very high	97.1	Very high	55 Å²	55	28.1 Å²	28.1	29%	0.294	15%	0.147	S	C	.	.	B	Isolated β-bridge	trans	-129.4	115.2	177.3	-167.4	-22.1	0	0	0	109.2	S105 S292	D103-S105 PolarHBondContact O-N 3.19Å; D103-S105 WeakPolarHBondContact OD1-CA 3.34Å; D103-S105 PolarHBondContact OD1-N 3.33Å; D103-S292 WeakPolarHBondContact CA-O 3.25Å
104	Q	96.5	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.			trans	-77.6	-5.5	177.9	77.5	-174.4	77	0	0	112.8	F57 C107 V113 Y183 H271 S292	F57-Q104 PolarHBondContact O-NE2 2.97Å; Q104-C107 PolarHBondContact NE2-O 3.12Å; Q104-C107 PolarHBondContact O-N 3.07Å; Q104-V113 HydrophobicContact CB-CG2 3.93Å; Q104-Y183 PolarHBondContact O-OH 3.02Å; Q104-H271 PolarHBondContact OE1-CE1 2.87Å; Q104-S292 WeakPolarHBondContact CG-O 3.02Å; Q104-S292 PolarHBondContact N-O 3.47Å; Q104-S292 PolarHBondContact OE1-OG 3.31Å
105	S	93.7	Very high	97.2	Very high	4 Å²	4	20 Å²	20	3%	0.028	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-145.1	-178.7	-55.5	0	0	0	0	111.7	D103 C107 I185 Q186 P187	D103-S105 PolarHBondContact O-N 3.19Å; D103-S105 WeakPolarHBondContact OD1-CA 3.34Å; D103-S105 PolarHBondContact OD1-N 3.33Å; S105-C107 PolarHBondContact O-N 3.39Å; S105-I185 PolarHBondContact OG-O 3.21Å; S105-Q186 VanDerWaalsContact CB-O 3.26Å; S105-Q186 WeakPolarHBondContact CB-O 3.29Å; S105-Q186 VanDerWaalsContact OG-C 3.29Å; S105-Q186 PolarHBondContact OG-O 2.84Å; S105-P187 WeakPolarHBondContact OG-CA 3.46Å
106	N	91.7	Very high	97.3	Very high	32 Å²	32	19.7 Å²	19.7	17%	0.171	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	33.7	-179.4	58.8	-23.5	0	0	0	113.6	F57 I185 C188 G193 S194 A195	F57-N106 HydrophobicContact CE1-CB 4.11Å; N106-I185 VanDerWaalsContact OD1-CG2 3.28Å; N106-I185 WeakPolarHBondContact OD1-CG2 3.42Å; N106-C188 VanDerWaalsContact CB-SG 3.51Å; N106-C188 PolarHBondContact N-SG 3.18Å; N106-G193 PolarHBondContact ND2-O 2.87Å; N106-S194 CarbonylContact O-C 3.6Å; N106-S194 WeakPolarHBondContact O-CA 3.4Å; N106-A195 PolarHBondContact ND2-N 2.03Å; N106-A195 PolarHBondContact O-N 3.42Å; N106-A195 WeakPolarHBondContact OD1-CB 3.29Å
107	C	95.1	Very high	97.4	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-121.1	142.4	-176.2	175.5	0	0	0	0	110.8	Q104 S105 S109 C151 I185 A195	Q104-C107 PolarHBondContact NE2-O 3.12Å; Q104-C107 PolarHBondContact O-N 3.07Å; S105-C107 PolarHBondContact O-N 3.39Å; C107-S109 PolarHBondContact O-N 3.15Å; C107-S109 WeakPolarHBondContact SG-CB 3.4Å; C107-S109 PolarHBondContact SG-OG 2.79Å; C107-C151 HydrophobicContact CB-CB 4.02Å; C107-C151 WeakPolarHBondContact CB-SG 3.22Å; C107-C151 WeakPolarHBondContact SG-CA 3.17Å; C107-C151 WeakPolarHBondContact SG-CB 3.42Å; C107-C151 CovalentContact SG-SG 2.03Å; C107-C151 PolarHBondContact SG-SG 2.95Å; C107-I185 HydrophobicContact CB-CD1 3.49Å; C107-I185 VanDerWaalsContact CB-CD1 3.49Å; C107-I185 VanDerWaalsContact SG-CD1 3.59Å; C107-A195 HydrophobicContact CB-CB 4.27Å
108	G	96.7	Very high	97.4	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.01	7%	0.066	C	C	.	.	S	Bend	trans	-75.1	43.4	171.4	0	0	0	0	0	112.9	S56 G59 W111 C151	S56-G108 WeakPolarHBondContact O-CA 3.49Å; S56-G108 PolarHBondContact O-N 3.49Å; S56-G108 VanDerWaalsContact O-N 3.13Å; G59-G108 WeakPolarHBondContact CA-O 3.27Å; G108-W111 PolarHBondContact O-NE1 3.3Å; G108-C151 WeakPolarHBondContact CA-O 3.29Å; G108-C151 PolarHBondContact N-O 2.99Å
109	S	98.1	Very high	97.4	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.066	C	C	.	.			trans	-94.3	12.1	-176	54.2	0	0	0	0	113.9	C107 W111 A112 V113 Y183	C107-S109 PolarHBondContact O-N 3.15Å; C107-S109 WeakPolarHBondContact SG-CB 3.4Å; C107-S109 PolarHBondContact SG-OG 2.79Å; S109-W111 PolarHBondContact O-N 3.26Å; S109-A112 WeakPolarHBondContact O-CA 3.42Å; S109-A112 WeakPolarHBondContact O-CB 3.26Å; S109-A112 PolarHBondContact O-N 3.03Å; S109-V113 WeakPolarHBondContact O-CG2 3.32Å; S109-V113 PolarHBondContact O-N 3.37Å; S109-Y183 PolarHBondContact OG-OH 3.03Å
110	C	98.5	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-49.9	-37	-179.5	63.2	0	0	0	0	113.6	G59 D60 A112 V113 S114 H271 A272	G59-C110 VanDerWaalsContact C-SG 3.6Å; G59-C110 PolarHBondContact N-SG 3.18Å; D60-C110 PolarHBondContact N-SG 3.04Å; C110-A112 VanDerWaalsContact C-N 3.33Å; C110-A112 PolarHBondContact O-N 3.02Å; C110-V113 PolarHBondContact O-N 2.98Å; C110-S114 VanDerWaalsContact O-CB 3.24Å; C110-S114 WeakPolarHBondContact O-CB 3.47Å; C110-S114 PolarHBondContact O-N 2.78Å; C110-S114 PolarHBondContact O-OG 2.89Å; C110-H271 WeakPolarHBondContact CB-CE1 3.46Å; C110-H271 WeakPolarHBondContact CB-ND1 3.36Å; C110-H271 PolarHBondContact SG-ND1 3.09Å; C110-H271 VanDerWaalsContact SG-ND1 3.44Å; C110-A272 HydrophobicContact CB-CB 4.37Å
111	W	98.6	Very high	97.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.7	-37.1	176.2	64.5	-91.3	0	0	0	112.7	G108 S109 S114 S115 L140 L141 C147 G150 P156 A159	G108-W111 PolarHBondContact O-NE1 3.3Å; S109-W111 PolarHBondContact O-N 3.26Å; W111-S114 PolarHBondContact O-OG 3.13Å; W111-S115 VanDerWaalsContact O-CB 3.23Å; W111-S115 WeakPolarHBondContact O-CB 3.22Å; W111-S115 PolarHBondContact O-N 3.03Å; W111-S115 PolarHBondContact O-OG 3.06Å; W111-L140 WeakPolarHBondContact CH2-O 3.35Å; W111-L140 HydrophobicContact CZ3-CB 4.36Å; W111-L141 HydrophobicContact CZ2-CD1 4.29Å; W111-C147 HydrophobicContact CE3-CB 4.14Å; W111-C147 HydrophobicContact CH2-CB 3.6Å; W111-C147 HydrophobicContact CZ3-CB 3.32Å; W111-G150 PolarHBondContact NE1-O 2.98Å; W111-G150 VanDerWaalsContact NE1-O 3.11Å; W111-P156 HydrophobicContact CB-CG 4.02Å; W111-A159 HydrophobicContact CE3-CB 4.19Å; W111-A159 HydrophobicContact CZ3-CB 4.18Å
112	A	98.8	Very high	97.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-79.1	-45.2	177.1	0	0	0	0	0	111.1	S109 C110 S115 A116 L140 L141	S109-A112 WeakPolarHBondContact O-CA 3.42Å; S109-A112 WeakPolarHBondContact O-CB 3.26Å; S109-A112 PolarHBondContact O-N 3.03Å; C110-A112 VanDerWaalsContact C-N 3.33Å; C110-A112 PolarHBondContact O-N 3.02Å; A112-S115 PolarHBondContact O-N 3.22Å; A112-A116 VanDerWaalsContact O-CB 3.28Å; A112-A116 WeakPolarHBondContact O-CB 3.32Å; A112-A116 PolarHBondContact O-N 2.85Å; A112-L140 HydrophobicContact CB-CB 3.81Å; A112-L141 HydrophobicContact CB-CB 4.31Å
113	V	98.8	Very high	97.6	Very high	2 Å²	2	5.2 Å²	5.2	1%	0.012	3%	0.029	C	C	.	.	H	α-helix	trans	-65.8	-45.3	-176.7	177.7	0	0	0	0	111.7	R102 Q104 S109 C110 S117 D137	R102-V113 HydrophobicContact CB-CG1 3.58Å; R102-V113 HydrophobicContact CG-CG1 4.3Å; Q104-V113 HydrophobicContact CB-CG2 3.93Å; S109-V113 WeakPolarHBondContact O-CG2 3.32Å; S109-V113 PolarHBondContact O-N 3.37Å; C110-V113 PolarHBondContact O-N 2.98Å; V113-S117 VanDerWaalsContact O-CB 3.3Å; V113-S117 WeakPolarHBondContact O-CB 3.33Å; V113-S117 PolarHBondContact O-N 2.7Å; V113-S117 PolarHBondContact O-OG 3.35Å; V113-D137 HydrophobicContact CB-CB 4.5Å; V113-D137 HydrophobicContact CG2-CB 4.05Å
114	S	98.8	Very high	97.7	Very high	4 Å²	4	2.9 Å²	2.9	3%	0.028	2%	0.017	C	C	.	.	H	α-helix	trans	-65.6	-45.5	176.9	60	0	0	0	0	111.7	C110 W111 S117 V118 A272	C110-S114 VanDerWaalsContact O-CB 3.24Å; C110-S114 WeakPolarHBondContact O-CB 3.47Å; C110-S114 PolarHBondContact O-N 2.78Å; C110-S114 PolarHBondContact O-OG 2.89Å; W111-S114 PolarHBondContact O-OG 3.13Å; S114-S117 WeakPolarHBondContact O-CB 3.37Å; S114-S117 PolarHBondContact O-N 2.99Å; S114-V118 WeakPolarHBondContact O-CG2 3.31Å; S114-V118 PolarHBondContact O-N 3.23Å; S114-A272 WeakPolarHBondContact OG-CB 3.48Å
115	S	98.9	Very high	97.7	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.1	-50.9	176.9	-61.7	0	0	0	0	111.6	W111 A112 S117 V118 I119	W111-S115 VanDerWaalsContact O-CB 3.23Å; W111-S115 WeakPolarHBondContact O-CB 3.22Å; W111-S115 PolarHBondContact O-N 3.03Å; W111-S115 PolarHBondContact O-OG 3.06Å; A112-S115 PolarHBondContact O-N 3.22Å; S115-S117 VanDerWaalsContact C-N 3.27Å; S115-S117 PolarHBondContact O-N 3.29Å; S115-V118 PolarHBondContact O-N 3.02Å; S115-I119 WeakPolarHBondContact O-CB 3.18Å; S115-I119 WeakPolarHBondContact O-CD1 3.48Å; S115-I119 WeakPolarHBondContact O-CG1 3.5Å; S115-I119 PolarHBondContact O-N 2.84Å
116	A	98.9	Very high	97.9	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.4	-35.7	177.2	0	0	0	0	0	112.5	A112 T120 I135 D137 L140	A112-A116 VanDerWaalsContact O-CB 3.28Å; A112-A116 WeakPolarHBondContact O-CB 3.32Å; A112-A116 PolarHBondContact O-N 2.85Å; A116-T120 VanDerWaalsContact O-CB 3.25Å; A116-T120 WeakPolarHBondContact O-CB 3.31Å; A116-T120 PolarHBondContact O-N 2.68Å; A116-T120 PolarHBondContact O-OG1 2.84Å; A116-I135 HydrophobicContact CB-CG2 4.22Å; A116-D137 HydrophobicContact CB-CB 3.8Å; A116-L140 HydrophobicContact CB-CD1 4.09Å
117	S	98.9	Very high	98	Very high	5 Å²	5	3.9 Å²	3.9	4%	0.035	3%	0.027	C	C	.	.	H	α-helix	trans	-62.7	-46.5	174.9	-62.8	0	0	0	0	111.9	R102 V113 S114 S115 T120 D121	R102-S117 WeakPolarHBondContact CD-OG 3.42Å; R102-S117 PolarHBondContact NE-OG 2.95Å; V113-S117 VanDerWaalsContact O-CB 3.3Å; V113-S117 WeakPolarHBondContact O-CB 3.33Å; V113-S117 PolarHBondContact O-N 2.7Å; V113-S117 PolarHBondContact O-OG 3.35Å; S114-S117 WeakPolarHBondContact O-CB 3.37Å; S114-S117 PolarHBondContact O-N 2.99Å; S115-S117 VanDerWaalsContact C-N 3.27Å; S115-S117 PolarHBondContact O-N 3.29Å; S117-T120 WeakPolarHBondContact O-CB 3.41Å; S117-T120 PolarHBondContact O-N 2.94Å; S117-D121 VanDerWaalsContact O-CG 3.23Å; S117-D121 PolarHBondContact O-N 2.9Å; S117-D121 VanDerWaalsContact O-N 3.12Å
118	V	98.9	Very high	98	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-66.3	-44.5	177.9	170.7	0	0	0	0	111.1	S114 S115 T120 D121 R122 F160 P241 V242 E243 R274	S114-V118 WeakPolarHBondContact O-CG2 3.31Å; S114-V118 PolarHBondContact O-N 3.23Å; S115-V118 PolarHBondContact O-N 3.02Å; V118-T120 VanDerWaalsContact C-N 3.3Å; V118-T120 PolarHBondContact O-N 2.99Å; V118-D121 PolarHBondContact O-N 3.08Å; V118-R122 HydrophobicContact CG1-CG 4.26Å; V118-R122 WeakPolarHBondContact O-CB 3.49Å; V118-R122 VanDerWaalsContact O-CG 3.29Å; V118-R122 WeakPolarHBondContact O-CG 3.47Å; V118-R122 PolarHBondContact O-N 3.5Å; V118-F160 HydrophobicContact CB-CZ 4.05Å; V118-F160 HydrophobicContact CG1-CE1 4.25Å; V118-F160 HydrophobicContact CG1-CZ 3.68Å; V118-P241 VanDerWaalsContact CG1-O 3.31Å; V118-P241 WeakPolarHBondContact CG1-O 3.22Å; V118-V242 VanDerWaalsContact CG2-C 3.43Å; V118-E243 HydrophobicContact CG2-CB 4.02Å; V118-R274 HydrophobicContact CG2-CB 3.99Å; V118-R274 HydrophobicContact CG2-CG 3.63Å
119	I	98.8	Very high	97.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-61.1	-41.7	178.3	-65.8	164.3	0	0	0	110.5	S115 R122 H123 I135 F160 W163 L168	S115-I119 WeakPolarHBondContact O-CB 3.18Å; S115-I119 WeakPolarHBondContact O-CD1 3.48Å; S115-I119 WeakPolarHBondContact O-CG1 3.5Å; S115-I119 PolarHBondContact O-N 2.84Å; I119-R122 PolarHBondContact O-N 2.87Å; I119-H123 PolarHBondContact O-CD2 2.83Å; I119-H123 PolarHBondContact O-N 2.85Å; I119-I135 HydrophobicContact CG2-CD1 4.35Å; I119-I135 HydrophobicContact CG2-CG1 3.98Å; I119-I135 HydrophobicContact CG2-CG2 4.2Å; I119-F160 HydrophobicContact CD1-CD1 4.46Å; I119-F160 HydrophobicContact CD1-CE1 4.44Å; I119-F160 HydrophobicContact CG1-CD1 4.28Å; I119-F160 HydrophobicContact CG1-CE1 3.86Å; I119-F160 HydrophobicContact CG1-CZ 4.17Å; I119-W163 HydrophobicContact CD1-CB 3.86Å; I119-W163 HydrophobicContact CD1-CD2 3.85Å; I119-W163 HydrophobicContact CD1-CE3 4.06Å; I119-W163 HydrophobicContact CD1-CG 3.77Å; I119-W163 HydrophobicContact CG1-CD2 3.9Å; I119-W163 HydrophobicContact CG1-CE3 3.91Å; I119-W163 HydrophobicContact CG1-CG 4.33Å; I119-W163 HydrophobicContact CG1-CZ3 4.24Å; I119-W163 HydrophobicContact CG2-CD2 3.8Å; I119-W163 HydrophobicContact CG2-CE3 4.49Å; I119-W163 HydrophobicContact CG2-CG 4.1Å; I119-W163 HydrophobicContact CG2-CH2 4.35Å; I119-W163 HydrophobicContact CG2-CZ2 3.66Å; I119-L168 HydrophobicContact CD1-CD1 3.8Å
120	T	98.8	Very high	97.7	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.012	8%	0.083	C	C	.	.	H	α-helix	trans	-54.1	-53.4	173.3	-68.1	0	0	0	0	111.8	Y97 R102 A116 S117 V118 R122 H123 C124 P133 I135	Y97-T120 HydrophobicContact CD2-CG2 3.93Å; Y97-T120 HydrophobicContact CG-CG2 4.07Å; R102-T120 PolarHBondContact NH2-OG1 2.83Å; A116-T120 VanDerWaalsContact O-CB 3.25Å; A116-T120 WeakPolarHBondContact O-CB 3.31Å; A116-T120 PolarHBondContact O-N 2.68Å; A116-T120 PolarHBondContact O-OG1 2.84Å; S117-T120 WeakPolarHBondContact O-CB 3.41Å; S117-T120 PolarHBondContact O-N 2.94Å; V118-T120 VanDerWaalsContact C-N 3.3Å; V118-T120 PolarHBondContact O-N 2.99Å; T120-R122 VanDerWaalsContact C-N 3.32Å; T120-R122 PolarHBondContact O-N 3.23Å; T120-H123 PolarHBondContact O-N 3.34Å; T120-C124 PolarHBondContact O-N 2.82Å; T120-P133 WeakPolarHBondContact CG2-O 3.42Å; T120-I135 VanDerWaalsContact OG1-CB 3.26Å; T120-I135 WeakPolarHBondContact OG1-CB 3.41Å; T120-I135 WeakPolarHBondContact OG1-CG1 3.44Å; T120-I135 PolarHBondContact OG1-N 3.04Å
121	D	98.8	Very high	97.4	Very high	2 Å²	2	16 Å²	16	1%	0.011	9%	0.087	C	C	.	.	H	α-helix	trans	-63.4	-42.4	-177.3	-62.5	-22.6	0	0	0	111	I98 S117 V118 C124 I125 P241 R274	I98-D121 WeakPolarHBondContact CA-OD1 3.38Å; I98-D121 HydrophobicContact CG1-CB 4Å; I98-D121 WeakPolarHBondContact CG1-OD1 3.22Å; I98-D121 PolarHBondContact N-OD1 2.57Å; S117-D121 VanDerWaalsContact O-CG 3.23Å; S117-D121 PolarHBondContact O-N 2.9Å; S117-D121 VanDerWaalsContact O-N 3.12Å; V118-D121 PolarHBondContact O-N 3.08Å; D121-C124 PolarHBondContact O-N 3.19Å; D121-I125 VanDerWaalsContact O-CG1 3.28Å; D121-I125 WeakPolarHBondContact O-CG1 3.39Å; D121-I125 PolarHBondContact O-N 2.58Å; D121-P241 HydrophobicContact CB-CG 4.07Å; D121-P241 WeakPolarHBondContact OD2-CG 3.25Å; D121-R274 VanDerWaalsContact CG-NH1 3.25Å; D121-R274 IonicContact OD1-NH1 3.47Å; D121-R274 PolarHBondContact OD1-NH1 3.43Å; D121-R274 VanDerWaalsContact OD1-NH1 3.13Å; D121-R274 WeakPolarHBondContact OD2-CD 3.47Å; D121-R274 IonicContact OD2-CZ 3.79Å; D121-R274 IonicContact OD2-NE 3.57Å; D121-R274 IonicContact OD2-NH1 3.3Å; D121-R274 PolarHBondContact OD2-NH1 2.88Å
122	R	98.5	Very high	97.3	Very high	3 Å²	3	19.3 Å²	19.3	1%	0.011	10%	0.103	C	C	.	.	H	α-helix	trans	-71.3	-31.4	-176.2	-68.8	-167.3	174.2	-131.7	-12.1	113.6	V118 I119 T120 A126 E235 G240 P241 V242 G321	V118-R122 HydrophobicContact CG1-CG 4.26Å; V118-R122 WeakPolarHBondContact O-CB 3.49Å; V118-R122 VanDerWaalsContact O-CG 3.29Å; V118-R122 WeakPolarHBondContact O-CG 3.47Å; V118-R122 PolarHBondContact O-N 3.5Å; I119-R122 PolarHBondContact O-N 2.87Å; T120-R122 VanDerWaalsContact C-N 3.32Å; T120-R122 PolarHBondContact O-N 3.23Å; R122-A126 WeakPolarHBondContact O-CB 3.26Å; R122-A126 PolarHBondContact O-N 3.04Å; R122-E235 IonicContact CZ-OE1 3.98Å; R122-E235 VanDerWaalsContact CZ-OE1 3.26Å; R122-E235 IonicContact NH1-OE1 2.53Å; R122-E235 PolarHBondContact NH1-OE1 3.37Å; R122-E235 IonicContact NH2-OE1 3.51Å; R122-E235 PolarHBondContact NH2-OE1 2.88Å; R122-G240 PolarHBondContact NH2-O 2.73Å; R122-P241 PolarHBondContact NE-O 2.91Å; R122-P241 PolarHBondContact NH2-O 2.83Å; R122-P241 VanDerWaalsContact NH2-O 3.12Å; R122-V242 VanDerWaalsContact NH2-CG1 3.26Å; R122-G321 WeakPolarHBondContact CD-O 3.33Å; R122-G321 PolarHBondContact NH1-O 2.91Å
123	H	98	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-44.5	168.4	-84.8	-68.3	0	0	0	111.5	I119 T120 S127 P133 W163 H218 A323	I119-H123 PolarHBondContact O-CD2 2.83Å; I119-H123 PolarHBondContact O-N 2.85Å; T120-H123 PolarHBondContact O-N 3.34Å; H123-S127 VanDerWaalsContact O-CB 3.25Å; H123-S127 WeakPolarHBondContact O-CB 3.4Å; H123-S127 PolarHBondContact O-N 2.74Å; H123-S127 PolarHBondContact O-OG 3.11Å; H123-P133 HydrophobicContact CB-CG 3.77Å; H123-W163 AromaticContact CE1-CZ2 3.92Å; H123-W163 AromaticContact NE2-CE2 3.59Å; H123-W163 AromaticContact NE2-CZ2 3.39Å; H123-W163 WeakPolarHBondContact NE2-CZ2 3.11Å; H123-W163 AromaticContact NE2-NE1 3.26Å; H123-W163 PolarHBondContact NE2-NE1 2.75Å; H123-H218 PolarHBondContact CE1-O 2.88Å; H123-H218 VanDerWaalsContact CE1-O 3.26Å; H123-A323 HydrophobicContact CB-CB 4.43Å; H123-A323 WeakPolarHBondContact ND1-CB 3.28Å
124	C	98.1	Very high	97.1	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.034	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-44.8	177	-179.7	0	0	0	0	113.1	C95 T120 D121 S127 N128 G129 E131 Q132	C95-C124 WeakPolarHBondContact CA-SG 3.49Å; C95-C124 HydrophobicContact CB-CB 3.84Å; C95-C124 WeakPolarHBondContact CB-SG 3.36Å; C95-C124 WeakPolarHBondContact SG-CB 3.3Å; C95-C124 CovalentContact SG-SG 2.03Å; C95-C124 PolarHBondContact SG-SG 2.79Å; T120-C124 PolarHBondContact O-N 2.82Å; D121-C124 PolarHBondContact O-N 3.19Å; C124-S127 CarbonylContact O-C 3.59Å; C124-S127 PolarHBondContact O-N 3.1Å; C124-S127 PolarHBondContact O-OG 2.81Å; C124-S127 VanDerWaalsContact O-OG 3.11Å; C124-N128 PolarHBondContact O-N 3.41Å; C124-N128 VanDerWaalsContact O-N 3.09Å; C124-G129 PolarHBondContact O-N 3.5Å; C124-E131 WeakPolarHBondContact CA-O 3.44Å; C124-E131 PolarHBondContact N-O 3.49Å; C124-Q132 HydrophobicContact CB-CG 4.49Å
125	I	97.5	Very high	97.1	Very high	17 Å²	17	20 Å²	20	9%	0.087	11%	0.105	C	C	.	.	H	α-helix	trans	-66.1	-48	179.8	-68.1	166.1	0	0	0	110.5	W92 I98 D121 S127 N128 G240	W92-I125 HydrophobicContact CB-CG1 4.29Å; W92-I125 HydrophobicContact CD2-CD1 3.62Å; W92-I125 HydrophobicContact CD2-CG1 3.68Å; W92-I125 HydrophobicContact CD2-CG2 4.32Å; W92-I125 HydrophobicContact CE3-CD1 3.46Å; W92-I125 VanDerWaalsContact CE3-CD1 3.46Å; W92-I125 HydrophobicContact CE3-CG1 4.06Å; W92-I125 HydrophobicContact CG-CD1 4.25Å; W92-I125 HydrophobicContact CG-CG1 3.82Å; W92-I125 HydrophobicContact CH2-CD1 4.18Å; W92-I125 HydrophobicContact CZ2-CD1 4.29Å; W92-I125 HydrophobicContact CZ2-CG2 3.96Å; W92-I125 HydrophobicContact CZ3-CD1 3.79Å; I98-I125 HydrophobicContact CD1-CD1 4.16Å; I98-I125 HydrophobicContact CD1-CG1 4.47Å; D121-I125 VanDerWaalsContact O-CG1 3.28Å; D121-I125 WeakPolarHBondContact O-CG1 3.39Å; D121-I125 PolarHBondContact O-N 2.58Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.45Å; I125-N128 PolarHBondContact O-N 3.29Å; I125-G240 VanDerWaalsContact CD1-CA 3.47Å
126	A	96	Very high	97.1	Very high	34 Å²	34	20 Å²	20	28%	0.281	11%	0.105	S	C	.	.	H	α-helix	trans	-62	-35.4	-179.9	0	0	0	0	0	112.6	R122 N128 A323 R325	R122-A126 WeakPolarHBondContact O-CB 3.26Å; R122-A126 PolarHBondContact O-N 3.04Å; A126-N128 VanDerWaalsContact C-N 3.31Å; A126-A323 HydrophobicContact CB-CB 4Å; A126-R325 HydrophobicContact CB-CG 4.39Å; A126-R325 WeakPolarHBondContact O-CD 3.4Å
127	S	95.4	Very high	97.1	Very high	7 Å²	7	20.1 Å²	20.1	5%	0.049	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	3.9	176.3	70	0	0	0	0	113.6	H123 C124 I125 G129 F130 E131	H123-S127 VanDerWaalsContact O-CB 3.25Å; H123-S127 WeakPolarHBondContact O-CB 3.4Å; H123-S127 PolarHBondContact O-N 2.74Å; H123-S127 PolarHBondContact O-OG 3.11Å; C124-S127 CarbonylContact O-C 3.59Å; C124-S127 PolarHBondContact O-N 3.1Å; C124-S127 PolarHBondContact O-OG 2.81Å; C124-S127 VanDerWaalsContact O-OG 3.11Å; I125-S127 VanDerWaalsContact C-N 3.27Å; I125-S127 PolarHBondContact O-N 3.45Å; S127-G129 PolarHBondContact O-N 3.11Å; S127-G129 VanDerWaalsContact O-N 3.16Å; S127-F130 WeakPolarHBondContact O-CB 3.21Å; S127-F130 WeakPolarHBondContact O-CD2 3.45Å; S127-F130 PolarHBondContact O-N 3.46Å; S127-F130 VanDerWaalsContact O-N 3.1Å; S127-F130 PolarHBondContact OG-N 2.8Å; S127-E131 WeakPolarHBondContact OG-CB 3.19Å; S127-E131 PolarHBondContact OG-N 3.35Å; S127-E131 PolarHBondContact OG-O 3.44Å
128	N	94.4	Very high	97.1	Very high	61 Å²	61	20.2 Å²	20.2	33%	0.326	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	36.5	-176.8	-160.1	86.8	0	0	0	112.6	Y94 C124 I125 A126 R331	Y94-N128 VanDerWaalsContact CE2-C 3.45Å; C124-N128 PolarHBondContact O-N 3.41Å; C124-N128 VanDerWaalsContact O-N 3.09Å; I125-N128 PolarHBondContact O-N 3.29Å; A126-N128 VanDerWaalsContact C-N 3.31Å; N128-R331 PolarHBondContact OD1-NH1 3.47Å
129	G	94.7	Very high	97.1	Very high	14 Å²	14	20.7 Å²	20.7	14%	0.144	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-2.8	178.8	0	0	0	0	0	116.1	Y94 C124 S127 Q132	Y94-G129 VanDerWaalsContact CD2-CA 3.43Å; C124-G129 PolarHBondContact O-N 3.5Å; S127-G129 PolarHBondContact O-N 3.11Å; S127-G129 VanDerWaalsContact O-N 3.16Å; G129-Q132 WeakPolarHBondContact O-CG 3.24Å; G129-Q132 PolarHBondContact O-NE2 3.49Å
130	F	93.9	Very high	97.1	Very high	162 Å²	162	20.7 Å²	20.7	71%	0.711	11%	0.108	S	C	*	.	S	Bend	trans	-71	-32.7	178.3	-72.6	-65.6	0	0	0	113	S127	S127-F130 WeakPolarHBondContact O-CB 3.21Å; S127-F130 WeakPolarHBondContact O-CD2 3.45Å; S127-F130 PolarHBondContact O-N 3.46Å; S127-F130 VanDerWaalsContact O-N 3.1Å; S127-F130 PolarHBondContact OG-N 2.8Å
131	E	93	Very high	97	Very high	17 Å²	17	20.8 Å²	20.8	8%	0.079	11%	0.109	C	C	.	.			trans	-112.6	114.3	175.1	-61.8	173.6	-167.7	0	0	108	C124 S127 P133 F217 R326 L327	C124-E131 WeakPolarHBondContact CA-O 3.44Å; C124-E131 PolarHBondContact N-O 3.49Å; S127-E131 WeakPolarHBondContact OG-CB 3.19Å; S127-E131 PolarHBondContact OG-N 3.35Å; S127-E131 PolarHBondContact OG-O 3.44Å; E131-P133 WeakPolarHBondContact O-CD 3.43Å; E131-F217 HydrophobicContact CB-CE1 4.46Å; E131-R326 WeakPolarHBondContact OE1-CA 3.27Å; E131-R326 VanDerWaalsContact OE1-CB 3.3Å; E131-R326 WeakPolarHBondContact OE1-CB 3.39Å; E131-R326 PolarHBondContact OE1-N 2.96Å; E131-L327 PolarHBondContact OE1-N 3.36Å
132	Q	94.8	Very high	97	Very high	71 Å²	71	21.5 Å²	21.5	33%	0.332	12%	0.115	S	C	.	.			trans	-122.3	58.1	177.8	-55.3	-167.4	30.4	0	0	111.7	Y94 Y97 C124 G129 Y134	Y94-Q132 VanDerWaalsContact O-CD 3.24Å; Y94-Q132 PolarHBondContact O-NE2 3.07Å; Y94-Q132 PolarHBondContact O-OE1 2.81Å; Y94-Q132 VanDerWaalsContact O-OE1 3.09Å; Y97-Q132 WeakPolarHBondContact CE2-O 3.5Å; C124-Q132 HydrophobicContact CB-CG 4.49Å; G129-Q132 WeakPolarHBondContact O-CG 3.24Å; G129-Q132 PolarHBondContact O-NE2 3.49Å; Q132-Y134 PolarHBondContact O-N 2.88Å
133	P	96.2	Very high	97	Very high	7 Å²	7	22.3 Å²	22.3	5%	0.045	12%	0.121	C	C	.	.			trans	-69.7	133.6	179.2	31	-34.4	0	0	0	110	T120 H123 E131 I135 T170 F217	T120-P133 WeakPolarHBondContact CG2-O 3.42Å; H123-P133 HydrophobicContact CB-CG 3.77Å; E131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-I135 HydrophobicContact CB-CD1 3.85Å; P133-I135 HydrophobicContact CB-CG1 4.29Å; P133-I135 HydrophobicContact CG-CD1 3.84Å; P133-I135 HydrophobicContact CG-CG1 4.19Å; P133-I135 PolarHBondContact O-N 3.13Å; P133-T170 HydrophobicContact CB-CG2 4.07Å; P133-F217 HydrophobicContact CB-CD1 4.31Å; P133-F217 HydrophobicContact CB-CD2 3.97Å; P133-F217 HydrophobicContact CB-CE1 3.98Å; P133-F217 HydrophobicContact CB-CE2 3.63Å; P133-F217 HydrophobicContact CB-CG 4.32Å; P133-F217 HydrophobicContact CB-CZ 3.64Å; P133-F217 HydrophobicContact CG-CD1 3.92Å; P133-F217 HydrophobicContact CG-CD2 4.39Å; P133-F217 HydrophobicContact CG-CE1 3.78Å; P133-F217 HydrophobicContact CG-CE2 4.29Å; P133-F217 HydrophobicContact CG-CG 4.24Å; P133-F217 HydrophobicContact CG-CZ 3.99Å
134	Y	98.3	Very high	97	Very high	12 Å²	12	22.6 Å²	22.6	5%	0.047	12%	0.123	C	C	.	.			trans	-79.1	107.7	154.3	-174.4	-68.9	0	0	0	106	Y97 F100 R102 Q132 D137 T170 G171	Y97-Y134 AromaticContact CD1-CD2 3.86Å; Y97-Y134 HydrophobicContact CD1-CD2 3.86Å; Y97-Y134 AromaticContact CE1-CD2 3.75Å; Y97-Y134 HydrophobicContact CE1-CD2 3.75Å; Y97-Y134 HydrophobicContact CG-CD2 4.35Å; F100-Y134 AromaticContact CD1-CE2 3.92Å; F100-Y134 HydrophobicContact CD1-CE2 3.92Å; F100-Y134 AromaticContact CE1-CE2 3.77Å; F100-Y134 HydrophobicContact CE1-CE2 3.77Å; R102-Y134 WeakPolarHBondContact CD-OH 3.44Å; R102-Y134 HydrophobicContact CG-CE2 4.44Å; R102-Y134 WeakPolarHBondContact CG-OH 3.44Å; R102-Y134 VanDerWaalsContact CZ-CE1 3.45Å; R102-Y134 PolarHBondContact NE-OH 3.38Å; R102-Y134 VanDerWaalsContact NH1-CE1 3.26Å; Q132-Y134 PolarHBondContact O-N 2.88Å; Y134-D137 PolarHBondContact OH-OD1 3.23Å; Y134-T170 CarbonylContact O-C 3.35Å; Y134-T170 WeakPolarHBondContact O-CA 3.5Å; Y134-G171 WeakPolarHBondContact CB-O 3.45Å; Y134-G171 VanDerWaalsContact CD1-O 3.23Å; Y134-G171 WeakPolarHBondContact CD1-O 3.29Å; Y134-G171 PolarHBondContact O-N 2.98Å
135	I	98.7	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-75.2	137	-177.7	-61.1	-74.5	0	0	0	109.8	R102 A116 I119 T120 P133 D137 L168 F217	R102-I135 PolarHBondContact NH1-O 2.99Å; A116-I135 HydrophobicContact CB-CG2 4.22Å; I119-I135 HydrophobicContact CG2-CD1 4.35Å; I119-I135 HydrophobicContact CG2-CG1 3.98Å; I119-I135 HydrophobicContact CG2-CG2 4.2Å; T120-I135 VanDerWaalsContact OG1-CB 3.26Å; T120-I135 WeakPolarHBondContact OG1-CB 3.41Å; T120-I135 WeakPolarHBondContact OG1-CG1 3.44Å; T120-I135 PolarHBondContact OG1-N 3.04Å; P133-I135 HydrophobicContact CB-CD1 3.85Å; P133-I135 HydrophobicContact CB-CG1 4.29Å; P133-I135 HydrophobicContact CG-CD1 3.84Å; P133-I135 HydrophobicContact CG-CG1 4.19Å; P133-I135 PolarHBondContact O-N 3.13Å; I135-D137 PolarHBondContact O-N 3.35Å; I135-L168 HydrophobicContact CG2-CB 3.61Å; I135-L168 HydrophobicContact CG2-CD1 3.56Å; I135-L168 HydrophobicContact CG2-CG 4.21Å; I135-F217 HydrophobicContact CD1-CB 3.8Å; I135-F217 HydrophobicContact CD1-CD2 4.06Å; I135-F217 HydrophobicContact CD1-CG 4Å
136	S	98.7	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.			trans	-69	108.1	-176.5	-177.3	0	0	0	0	112.1	E138 Q139 V169 M181	S136-E138 VanDerWaalsContact C-N 3.28Å; S136-E138 WeakPolarHBondContact OG-CB 3.44Å; S136-E138 PolarHBondContact OG-N 3.09Å; S136-Q139 PolarHBondContact OG-N 3.22Å; S136-V169 VanDerWaalsContact CB-O 3.31Å; S136-V169 WeakPolarHBondContact CB-O 3.36Å; S136-V169 PolarHBondContact N-O 2.87Å; S136-M181 WeakPolarHBondContact CB-O 3.46Å; S136-M181 WeakPolarHBondContact OG-CB 3.19Å; S136-M181 PolarHBondContact OG-O 2.74Å
137	D	98.5	Very high	96.9	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-69.2	-28.7	163.9	40.3	-106.3	0	0	0	111.7	R102 V113 A116 Y134 I135 L140 L141 Y183	R102-D137 IonicContact CZ-OD1 3.26Å; R102-D137 IonicContact NE-OD1 2.88Å; R102-D137 IonicContact NH1-OD1 2.65Å; R102-D137 PolarHBondContact NH1-OD1 2.86Å; V113-D137 HydrophobicContact CB-CB 4.5Å; V113-D137 HydrophobicContact CG2-CB 4.05Å; A116-D137 HydrophobicContact CB-CB 3.8Å; Y134-D137 PolarHBondContact OH-OD1 3.23Å; I135-D137 PolarHBondContact O-N 3.35Å; D137-L140 PolarHBondContact O-N 3.27Å; D137-L141 VanDerWaalsContact O-CB 3.28Å; D137-L141 WeakPolarHBondContact O-CB 3.36Å; D137-L141 PolarHBondContact O-N 2.79Å; D137-Y183 WeakPolarHBondContact OD2-CD2 2.96Å
138	E	98.6	Very high	96.9	Very high	7 Å²	7	30.6 Å²	30.6	3%	0.033	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-47.9	172	-174.4	65.3	-152.9	0	0	112.6	S136 L140 L141 A142 P182 Y183 E184 P198	S136-E138 VanDerWaalsContact C-N 3.28Å; S136-E138 WeakPolarHBondContact OG-CB 3.44Å; S136-E138 PolarHBondContact OG-N 3.09Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 3.27Å; E138-L141 PolarHBondContact O-N 3.44Å; E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.2Å; E138-A142 PolarHBondContact O-N 2.91Å; E138-P182 WeakPolarHBondContact CG-O 3.43Å; E138-Y183 HydrophobicContact CB-CD2 4.5Å; E138-Y183 WeakPolarHBondContact OE2-CA 3.29Å; E138-E184 HydrophobicContact CG-CG 4.38Å; E138-E184 PolarHBondContact OE2-N 3.21Å; E138-P198 WeakPolarHBondContact OE1-CB 3.47Å; E138-P198 VanDerWaalsContact OE1-CG 3.25Å; E138-P198 WeakPolarHBondContact OE1-CG 3.47Å
139	Q	98.7	Very high	97	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.047	19%	0.188	C	C	.	.	H	α-helix	trans	-62.8	-41.3	179.6	-173.9	-171.8	-5.6	0	0	111.3	S136 C143 G167 L168 M181	S136-Q139 PolarHBondContact OG-N 3.22Å; Q139-C143 HydrophobicContact CG-CB 4.19Å; Q139-C143 WeakPolarHBondContact O-CA 3.44Å; Q139-C143 WeakPolarHBondContact O-CB 3.35Å; Q139-C143 PolarHBondContact O-N 2.91Å; Q139-G167 PolarHBondContact NE2-O 3.43Å; Q139-L168 HydrophobicContact CB-CD2 4.34Å; Q139-L168 HydrophobicContact CG-CD2 4.25Å; Q139-L168 VanDerWaalsContact OE1-CA 3.23Å; Q139-M181 HydrophobicContact CB-SD 3.87Å; Q139-M181 HydrophobicContact CG-SD 4.01Å
140	L	98.6	Very high	97.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.4	-51.3	174.2	-78.1	174.7	0	0	0	110.5	W111 A112 A116 D137 E138 A142 C144 A159 F162 L168	W111-L140 WeakPolarHBondContact CH2-O 3.35Å; W111-L140 HydrophobicContact CZ3-CB 4.36Å; A112-L140 HydrophobicContact CB-CB 3.81Å; A116-L140 HydrophobicContact CB-CD1 4.09Å; D137-L140 PolarHBondContact O-N 3.27Å; E138-L140 VanDerWaalsContact C-N 3.33Å; E138-L140 PolarHBondContact O-N 3.27Å; L140-A142 PolarHBondContact O-N 3.41Å; L140-C144 VanDerWaalsContact O-CB 3.25Å; L140-C144 WeakPolarHBondContact O-CB 2.88Å; L140-C144 PolarHBondContact O-N 3.45Å; L140-A159 HydrophobicContact CD1-CB 4.11Å; L140-A159 HydrophobicContact CD2-CB 3.79Å; L140-F162 HydrophobicContact CD2-CB 4.46Å; L140-F162 HydrophobicContact CD2-CD1 4Å; L140-L168 HydrophobicContact CD1-CD1 4.03Å; L140-L168 HydrophobicContact CD2-CD1 4.06Å; L140-L168 HydrophobicContact CD2-CD2 3.7Å; L140-L168 HydrophobicContact CD2-CG 4.47Å; L140-L168 HydrophobicContact CG-CD1 3.97Å; L140-L168 HydrophobicContact CG-CD2 3.71Å
141	L	98.6	Very high	97.3	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.026	15%	0.152	C	C	.	.	H	α-helix	trans	-58.6	-47.7	-177.5	176.3	60.2	0	0	0	112.7	W111 A112 D137 E138 Y183 I185 T197 P198	W111-L141 HydrophobicContact CZ2-CD1 4.29Å; A112-L141 HydrophobicContact CB-CB 4.31Å; D137-L141 VanDerWaalsContact O-CB 3.28Å; D137-L141 WeakPolarHBondContact O-CB 3.36Å; D137-L141 PolarHBondContact O-N 2.79Å; E138-L141 PolarHBondContact O-N 3.44Å; L141-Y183 HydrophobicContact CD2-CE2 3.71Å; L141-I185 HydrophobicContact CD2-CD1 3.93Å; L141-T197 HydrophobicContact CD1-CG2 4.31Å; L141-T197 HydrophobicContact CG-CG2 4.37Å; L141-P198 HydrophobicContact CD2-CG 4.42Å
142	A	98.3	Very high	97.4	Very high	17 Å²	17	31.1 Å²	31.1	14%	0.14	18%	0.178	C	C	.	.	H	α-helix	trans	-91.6	-34	-169.9	0	0	0	0	0	113.4	E138 L140 P198 C200	E138-A142 VanDerWaalsContact O-CB 3.3Å; E138-A142 WeakPolarHBondContact O-CB 3.2Å; E138-A142 PolarHBondContact O-N 2.91Å; L140-A142 PolarHBondContact O-N 3.41Å; A142-P198 HydrophobicContact CB-CB 4.32Å; A142-P198 WeakPolarHBondContact CB-O 3.46Å; A142-C200 WeakPolarHBondContact O-CB 3.48Å
143	C	98.5	Very high	97.5	Very high	20 Å²	20	27.7 Å²	27.7	14%	0.135	16%	0.163	C	C	.	.	H	α-helix	trans	-106.9	-20	-170.3	-61	0	0	0	0	115	Q139 T145 C200	Q139-C143 HydrophobicContact CG-CB 4.19Å; Q139-C143 WeakPolarHBondContact O-CA 3.44Å; Q139-C143 WeakPolarHBondContact O-CB 3.35Å; Q139-C143 PolarHBondContact O-N 2.91Å; C143-T145 PolarHBondContact O-N 2.9Å; C143-C200 VanDerWaalsContact CA-SG 3.53Å; C143-C200 HydrophobicContact CB-CB 3.88Å; C143-C200 WeakPolarHBondContact CB-SG 3.16Å; C143-C200 WeakPolarHBondContact SG-CA 3.33Å; C143-C200 WeakPolarHBondContact SG-CB 3.4Å; C143-C200 CovalentContact SG-SG 2.04Å; C143-C200 PolarHBondContact SG-SG 3.22Å
144	C	98.3	Very high	97.6	Very high	6 Å²	6	27.4 Å²	27.4	4%	0.041	16%	0.16	C	C	.	.			trans	-84.3	81.5	178.7	-171.6	0	0	0	0	111.6	L140 S146 C147 F162	L140-C144 VanDerWaalsContact O-CB 3.25Å; L140-C144 WeakPolarHBondContact O-CB 2.88Å; L140-C144 PolarHBondContact O-N 3.45Å; C144-S146 PolarHBondContact O-N 2.86Å; C144-C147 HydrophobicContact CB-CB 3.66Å; C144-C147 WeakPolarHBondContact CB-SG 3.48Å; C144-C147 PolarHBondContact O-N 3.01Å; C144-C147 VanDerWaalsContact O-N 3.07Å; C144-C147 WeakPolarHBondContact SG-CB 3.3Å; C144-C147 PolarHBondContact SG-N 2.96Å; C144-C147 CovalentContact SG-SG 2.01Å; C144-C147 PolarHBondContact SG-SG 2.84Å; C144-F162 HydrophobicContact CB-CB 4.49Å; C144-F162 HydrophobicContact CB-CD1 4.47Å; C144-F162 HydrophobicContact CB-CD2 3.77Å; C144-F162 HydrophobicContact CB-CE2 4.02Å; C144-F162 HydrophobicContact CB-CG 4Å; C144-F162 HydrophobicContact CB-CZ 4.5Å; C144-F162 WeakPolarHBondContact SG-CD2 3.46Å
145	T	96.1	Very high	97.6	Very high	131 Å²	131	29.2 Å²	29.2	80%	0.804	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.1	179.2	57.1	0	0	0	0	113.8	C143	C143-T145 PolarHBondContact O-N 2.9Å
146	S	95.3	Very high	97.5	Very high	83 Å²	83	29.2 Å²	29.2	58%	0.58	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-14.2	174.3	56.6	0	0	0	0	113.8	C144 G148	C144-S146 PolarHBondContact O-N 2.86Å; S146-G148 VanDerWaalsContact C-N 3.33Å
147	C	97.2	Very high	97.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-81.1	-13.8	-175.9	-66.4	0	0	0	0	113.5	W111 C144 G154 Y155 D158 A159	W111-C147 HydrophobicContact CE3-CB 4.14Å; W111-C147 HydrophobicContact CH2-CB 3.6Å; W111-C147 HydrophobicContact CZ3-CB 3.32Å; C144-C147 HydrophobicContact CB-CB 3.66Å; C144-C147 WeakPolarHBondContact CB-SG 3.48Å; C144-C147 PolarHBondContact O-N 3.01Å; C144-C147 VanDerWaalsContact O-N 3.07Å; C144-C147 WeakPolarHBondContact SG-CB 3.3Å; C144-C147 PolarHBondContact SG-N 2.96Å; C144-C147 CovalentContact SG-SG 2.01Å; C144-C147 PolarHBondContact SG-SG 2.84Å; C147-G154 CarbonylContact O-C 3.51Å; C147-G154 WeakPolarHBondContact O-CA 3.36Å; C147-Y155 WeakPolarHBondContact O-CD2 3.16Å; C147-Y155 PolarHBondContact O-N 3.48Å; C147-D158 HydrophobicContact CB-CB 4.29Å; C147-D158 PolarHBondContact SG-O 3.29Å; C147-D158 VanDerWaalsContact SG-O 3.39Å; C147-A159 WeakPolarHBondContact SG-CA 3.29Å; C147-A159 PolarHBondContact SG-N 2.67Å; C147-A159 VanDerWaalsContact SG-N 3.42Å
148	G	95.2	Very high	97.4	Very high	17 Å²	17	30.1 Å²	30.1	18%	0.175	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	147.2	-146.2	-177.2	0	0	0	0	0	112.9	S146	S146-G148 VanDerWaalsContact C-N 3.33Å
149	F	97	Very high	97.4	Very high	134 Å²	134	29.8 Å²	29.8	59%	0.588	17%	0.172	S	C	*	.			trans	-117	31.5	-170.4	-50	-75.1	0	0	0	111.9	L61 C151 N152 G153	L61-F149 HydrophobicContact CD1-CD2 3.8Å; L61-F149 HydrophobicContact CD1-CE2 4.02Å; F149-C151 PolarHBondContact O-N 3.2Å; F149-N152 HydrophobicContact CB-CB 3.9Å; F149-N152 WeakPolarHBondContact O-CB 3.38Å; F149-N152 PolarHBondContact O-N 3.44Å; F149-G153 PolarHBondContact N-O 3.35Å
150	G	97.4	Very high	97.4	Very high	7 Å²	7	29.3 Å²	29.3	7%	0.072	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	62.3	-120.9	178.3	0	0	0	0	0	112.8	W111 N152 G153 T197	W111-G150 PolarHBondContact NE1-O 2.98Å; W111-G150 VanDerWaalsContact NE1-O 3.11Å; G150-N152 PolarHBondContact O-N 2.85Å; G150-G153 PolarHBondContact O-N 2.87Å; G150-G153 VanDerWaalsContact O-N 3.1Å; G150-T197 WeakPolarHBondContact CA-OG1 3.14Å
151	C	96.7	Very high	97.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.034	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-67.1	-11.8	175.7	-72.1	0	0	0	0	114.5	C107 G108 F149 G153 I185 A195 T197	C107-C151 HydrophobicContact CB-CB 4.02Å; C107-C151 WeakPolarHBondContact CB-SG 3.22Å; C107-C151 WeakPolarHBondContact SG-CA 3.17Å; C107-C151 WeakPolarHBondContact SG-CB 3.42Å; C107-C151 CovalentContact SG-SG 2.03Å; C107-C151 PolarHBondContact SG-SG 2.95Å; G108-C151 WeakPolarHBondContact CA-O 3.29Å; G108-C151 PolarHBondContact N-O 2.99Å; F149-C151 PolarHBondContact O-N 3.2Å; C151-G153 VanDerWaalsContact C-N 3.26Å; C151-I185 VanDerWaalsContact SG-CD1 3.57Å; C151-A195 WeakPolarHBondContact CB-O 3.23Å; C151-T197 PolarHBondContact N-OG1 3.5Å
152	N	96.1	Very high	97.4	Very high	118 Å²	118	34.2 Å²	34.2	63%	0.631	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-90.6	8.9	172.9	-59.6	-61.7	0	0	0	112.8	F149 G150	F149-N152 HydrophobicContact CB-CB 3.9Å; F149-N152 WeakPolarHBondContact O-CB 3.38Å; F149-N152 PolarHBondContact O-N 3.44Å; G150-N152 PolarHBondContact O-N 2.85Å
153	G	97.6	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.			trans	105.8	168.7	173.2	0	0	0	0	0	114.6	G59 F149 G150 C151	G59-G153 CarbonylContact O-C 3.54Å; G59-G153 WeakPolarHBondContact O-CA 3.48Å; F149-G153 PolarHBondContact N-O 3.35Å; G150-G153 PolarHBondContact O-N 2.87Å; G150-G153 VanDerWaalsContact O-N 3.1Å; C151-G153 VanDerWaalsContact C-N 3.26Å
154	G	97.7	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-172.5	-164.9	-173.6	0	0	0	0	0	112.9	G59 L61 C147	G59-G154 PolarHBondContact O-N 3.1Å; L61-G154 PolarHBondContact N-O 2.78Å; C147-G154 CarbonylContact O-C 3.51Å; C147-G154 WeakPolarHBondContact O-CA 3.36Å
155	Y	97.4	Very high	97.3	Very high	50 Å²	50	39.2 Å²	39.2	20%	0.196	21%	0.214	C	C	.	.			trans	-127.6	116.9	-168.8	-54.1	-75.5	0	0	0	110.5	L61 R65 C147 A157 D158 A159	L61-Y155 HydrophobicContact CB-CD1 4.12Å; L61-Y155 HydrophobicContact CB-CE1 3.47Å; L61-Y155 VanDerWaalsContact CB-CE1 3.47Å; R65-Y155 HydrophobicContact CB-CE1 4.37Å; C147-Y155 WeakPolarHBondContact O-CD2 3.16Å; C147-Y155 PolarHBondContact O-N 3.48Å; Y155-A157 VanDerWaalsContact C-N 3.29Å; Y155-A157 PolarHBondContact O-N 3.39Å; Y155-D158 WeakPolarHBondContact CB-OD2 3.02Å; Y155-D158 WeakPolarHBondContact CD2-OD2 3.32Å; Y155-D158 PolarHBondContact O-N 3.32Å; Y155-A159 PolarHBondContact O-N 2.83Å
156	P	98.1	Very high	97.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-55.9	-38.9	177.1	-28.6	37.2	0	0	0	113.8	T62 W111 D158 A159 F160 E243 A272 I319	T62-P156 WeakPolarHBondContact OG1-CD 3.14Å; W111-P156 HydrophobicContact CB-CG 4.02Å; P156-D158 VanDerWaalsContact C-N 3.31Å; P156-D158 PolarHBondContact O-N 3.23Å; P156-A159 WeakPolarHBondContact O-CA 3.2Å; P156-A159 WeakPolarHBondContact O-CB 3.35Å; P156-A159 PolarHBondContact O-N 2.88Å; P156-A159 VanDerWaalsContact O-N 3.07Å; P156-F160 WeakPolarHBondContact O-CD2 3.24Å; P156-F160 PolarHBondContact O-N 2.9Å; P156-E243 HydrophobicContact CB-CG 3.89Å; P156-E243 VanDerWaalsContact CB-OE2 3.3Å; P156-E243 WeakPolarHBondContact CB-OE2 3.3Å; P156-E243 HydrophobicContact CG-CG 4.35Å; P156-A272 HydrophobicContact CG-CB 3.92Å; P156-I319 HydrophobicContact CB-CD1 4.08Å
157	A	97.2	Very high	97.5	Very high	6 Å²	6	35.5 Å²	35.5	5%	0.05	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-43.8	179.1	0	0	0	0	0	112.7	Y155 A159 F160 E161 I319	Y155-A157 VanDerWaalsContact C-N 3.29Å; Y155-A157 PolarHBondContact O-N 3.39Å; A157-A159 VanDerWaalsContact C-N 3.28Å; A157-A159 PolarHBondContact O-N 3.07Å; A157-F160 PolarHBondContact O-N 3.26Å; A157-E161 PolarHBondContact O-N 3.42Å; A157-I319 VanDerWaalsContact CA-CD1 3.46Å; A157-I319 HydrophobicContact CB-CD1 3.64Å
158	D	97.4	Very high	97.6	Very high	16 Å²	16	35.5 Å²	35.5	9%	0.086	18%	0.176	C	C	.	.	H	α-helix	trans	-70.5	-29.5	-179.4	-57.2	-10.8	0	0	0	110.3	R65 C147 Y155 P156 E161 F162	R65-D158 IonicContact NH1-OD1 3.47Å; R65-D158 IonicContact NH1-OD2 3.13Å; C147-D158 HydrophobicContact CB-CB 4.29Å; C147-D158 PolarHBondContact SG-O 3.29Å; C147-D158 VanDerWaalsContact SG-O 3.39Å; Y155-D158 WeakPolarHBondContact CB-OD2 3.02Å; Y155-D158 WeakPolarHBondContact CD2-OD2 3.32Å; Y155-D158 PolarHBondContact O-N 3.32Å; P156-D158 VanDerWaalsContact C-N 3.31Å; P156-D158 PolarHBondContact O-N 3.23Å; D158-E161 PolarHBondContact O-N 2.88Å; D158-F162 WeakPolarHBondContact O-CB 3.45Å; D158-F162 PolarHBondContact O-N 3.03Å
159	A	98.4	Very high	97.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.4	-39.6	171.2	0	0	0	0	0	112.6	W111 L140 C147 Y155 P156 A157 F162 W163	W111-A159 HydrophobicContact CE3-CB 4.19Å; W111-A159 HydrophobicContact CZ3-CB 4.18Å; L140-A159 HydrophobicContact CD1-CB 4.11Å; L140-A159 HydrophobicContact CD2-CB 3.79Å; C147-A159 WeakPolarHBondContact SG-CA 3.29Å; C147-A159 PolarHBondContact SG-N 2.67Å; C147-A159 VanDerWaalsContact SG-N 3.42Å; Y155-A159 PolarHBondContact O-N 2.83Å; P156-A159 WeakPolarHBondContact O-CA 3.2Å; P156-A159 WeakPolarHBondContact O-CB 3.35Å; P156-A159 PolarHBondContact O-N 2.88Å; P156-A159 VanDerWaalsContact O-N 3.07Å; A157-A159 VanDerWaalsContact C-N 3.28Å; A157-A159 PolarHBondContact O-N 3.07Å; A159-F162 PolarHBondContact O-N 2.97Å; A159-W163 WeakPolarHBondContact O-CB 3.26Å; A159-W163 PolarHBondContact O-N 3.3Å
160	F	98.5	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-68.2	-33.4	172.8	-86.3	-93.6	0	0	0	112.6	V118 I119 P156 A157 W163 I164 Y222 E243 I319	V118-F160 HydrophobicContact CB-CZ 4.05Å; V118-F160 HydrophobicContact CG1-CE1 4.25Å; V118-F160 HydrophobicContact CG1-CZ 3.68Å; I119-F160 HydrophobicContact CD1-CD1 4.46Å; I119-F160 HydrophobicContact CD1-CE1 4.44Å; I119-F160 HydrophobicContact CG1-CD1 4.28Å; I119-F160 HydrophobicContact CG1-CE1 3.86Å; I119-F160 HydrophobicContact CG1-CZ 4.17Å; P156-F160 WeakPolarHBondContact O-CD2 3.24Å; P156-F160 PolarHBondContact O-N 2.9Å; A157-F160 PolarHBondContact O-N 3.26Å; F160-W163 AromaticContact CD1-CE3 3.79Å; F160-W163 HydrophobicContact CD1-CE3 3.79Å; F160-W163 AromaticContact CD1-CZ3 3.91Å; F160-W163 HydrophobicContact CD1-CZ3 3.91Å; F160-W163 HydrophobicContact CE1-CE3 4.38Å; F160-W163 HydrophobicContact CE1-CZ3 4.2Å; F160-W163 WeakPolarHBondContact O-CB 3.32Å; F160-I164 PolarHBondContact O-N 3.38Å; F160-Y222 HydrophobicContact CB-CD1 4.38Å; F160-Y222 HydrophobicContact CB-CD2 4.22Å; F160-Y222 HydrophobicContact CB-CG 3.86Å; F160-E243 HydrophobicContact CE2-CB 3.96Å; F160-E243 HydrophobicContact CE2-CG 4.48Å; F160-E243 HydrophobicContact CZ-CB 4.35Å; F160-I319 HydrophobicContact CB-CG2 4.49Å; F160-I319 HydrophobicContact CD1-CG2 4.25Å; F160-I319 HydrophobicContact CD2-CB 4.49Å; F160-I319 HydrophobicContact CD2-CG2 3.71Å; F160-I319 HydrophobicContact CE1-CG2 4.41Å; F160-I319 HydrophobicContact CE2-CB 4.34Å; F160-I319 HydrophobicContact CE2-CG2 3.89Å; F160-I319 HydrophobicContact CG-CG2 3.9Å; F160-I319 HydrophobicContact CZ-CG2 4.24Å
161	E	98	Very high	97.9	Very high	80 Å²	80	28.9 Å²	28.9	37%	0.374	14%	0.143	S	C	.	.	H	α-helix	trans	-66.6	-47.1	172.7	-173.2	165.4	-138	0	0	111.2	A157 D158 W163 I164 D165 Y222	A157-E161 PolarHBondContact O-N 3.42Å; D158-E161 PolarHBondContact O-N 2.88Å; E161-W163 VanDerWaalsContact C-N 3.25Å; E161-W163 PolarHBondContact O-N 3.36Å; E161-I164 WeakPolarHBondContact O-CB 3.31Å; E161-I164 PolarHBondContact O-N 2.96Å; E161-D165 PolarHBondContact O-N 2.91Å; E161-Y222 HydrophobicContact CB-CD1 4.49Å; E161-Y222 HydrophobicContact CB-CE1 3.81Å; E161-Y222 HydrophobicContact CG-CE1 4.22Å
162	F	98.4	Very high	97.9	Very high	28 Å²	28	28.7 Å²	28.7	12%	0.123	14%	0.142	C	C	.	.	H	α-helix	trans	-56.7	-39.8	174.5	-174.1	-87.6	0	0	0	112.3	L140 C144 D158 A159 I164 D165 K166 G167 L168	L140-F162 HydrophobicContact CD2-CB 4.46Å; L140-F162 HydrophobicContact CD2-CD1 4Å; C144-F162 HydrophobicContact CB-CB 4.49Å; C144-F162 HydrophobicContact CB-CD1 4.47Å; C144-F162 HydrophobicContact CB-CD2 3.77Å; C144-F162 HydrophobicContact CB-CE2 4.02Å; C144-F162 HydrophobicContact CB-CG 4Å; C144-F162 HydrophobicContact CB-CZ 4.5Å; C144-F162 WeakPolarHBondContact SG-CD2 3.46Å; D158-F162 WeakPolarHBondContact O-CB 3.45Å; D158-F162 PolarHBondContact O-N 3.03Å; A159-F162 PolarHBondContact O-N 2.97Å; F162-I164 VanDerWaalsContact C-N 3.25Å; F162-I164 PolarHBondContact O-N 3.28Å; F162-D165 PolarHBondContact O-N 3.07Å; F162-K166 HydrophobicContact CD1-CB 4.18Å; F162-K166 HydrophobicContact CD2-CB 4.27Å; F162-K166 HydrophobicContact CD2-CG 3.88Å; F162-K166 HydrophobicContact CE1-CB 3.87Å; F162-K166 HydrophobicContact CE1-CG 4.45Å; F162-K166 HydrophobicContact CE2-CB 3.99Å; F162-K166 HydrophobicContact CE2-CG 3.66Å; F162-K166 HydrophobicContact CG-CB 4.38Å; F162-K166 HydrophobicContact CG-CG 4.38Å; F162-K166 HydrophobicContact CZ-CB 3.77Å; F162-K166 HydrophobicContact CZ-CG 3.97Å; F162-K166 WeakPolarHBondContact O-CB 3.36Å; F162-K166 PolarHBondContact O-N 3.48Å; F162-G167 PolarHBondContact O-N 2.67Å; F162-L168 HydrophobicContact CD1-CD2 3.81Å; F162-L168 HydrophobicContact CE1-CD2 3.81Å
163	W	98.5	Very high	97.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.5	-31.8	175.3	170.9	47.7	0	0	0	113.6	I119 H123 A159 F160 E161 G167 L168 F217 H218 G219 I322 A323	I119-W163 HydrophobicContact CD1-CB 3.86Å; I119-W163 HydrophobicContact CD1-CD2 3.85Å; I119-W163 HydrophobicContact CD1-CE3 4.06Å; I119-W163 HydrophobicContact CD1-CG 3.77Å; I119-W163 HydrophobicContact CG1-CD2 3.9Å; I119-W163 HydrophobicContact CG1-CE3 3.91Å; I119-W163 HydrophobicContact CG1-CG 4.33Å; I119-W163 HydrophobicContact CG1-CZ3 4.24Å; I119-W163 HydrophobicContact CG2-CD2 3.8Å; I119-W163 HydrophobicContact CG2-CE3 4.49Å; I119-W163 HydrophobicContact CG2-CG 4.1Å; I119-W163 HydrophobicContact CG2-CH2 4.35Å; I119-W163 HydrophobicContact CG2-CZ2 3.66Å; H123-W163 AromaticContact CE1-CZ2 3.92Å; H123-W163 AromaticContact NE2-CE2 3.59Å; H123-W163 AromaticContact NE2-CZ2 3.39Å; H123-W163 WeakPolarHBondContact NE2-CZ2 3.11Å; H123-W163 AromaticContact NE2-NE1 3.26Å; H123-W163 PolarHBondContact NE2-NE1 2.75Å; A159-W163 WeakPolarHBondContact O-CB 3.26Å; A159-W163 PolarHBondContact O-N 3.3Å; F160-W163 AromaticContact CD1-CE3 3.79Å; F160-W163 HydrophobicContact CD1-CE3 3.79Å; F160-W163 AromaticContact CD1-CZ3 3.91Å; F160-W163 HydrophobicContact CD1-CZ3 3.91Å; F160-W163 HydrophobicContact CE1-CE3 4.38Å; F160-W163 HydrophobicContact CE1-CZ3 4.2Å; F160-W163 WeakPolarHBondContact O-CB 3.32Å; E161-W163 VanDerWaalsContact C-N 3.25Å; E161-W163 PolarHBondContact O-N 3.36Å; W163-G167 VanDerWaalsContact O-CA 3.31Å; W163-G167 WeakPolarHBondContact O-CA 3.1Å; W163-G167 PolarHBondContact O-N 3.22Å; W163-L168 HydrophobicContact CB-CD1 3.88Å; W163-L168 HydrophobicContact CB-CG 4.29Å; W163-L168 HydrophobicContact CG-CD1 4.12Å; W163-F217 PolarHBondContact NE1-O 2.01Å; W163-H218 VanDerWaalsContact CE2-C 3.49Å; W163-H218 PolarHBondContact NE1-O 2.72Å; W163-G219 VanDerWaalsContact CD2-CA 3.5Å; W163-G219 PolarHBondContact O-N 3.06Å; W163-I322 WeakPolarHBondContact CH2-O 3.34Å; W163-A323 HydrophobicContact CH2-CB 4.23Å; W163-A323 HydrophobicContact CZ2-CB 4.03Å
164	I	98.3	Very high	97.8	Very high	44 Å²	44	31.2 Å²	31.2	23%	0.226	15%	0.15	C	C	.	.	H	α-helix	trans	-78.6	-47.4	175	-65.6	171.4	0	0	0	110.5	F160 E161 F162 Y222	F160-I164 PolarHBondContact O-N 3.38Å; E161-I164 WeakPolarHBondContact O-CB 3.31Å; E161-I164 PolarHBondContact O-N 2.96Å; F162-I164 VanDerWaalsContact C-N 3.25Å; F162-I164 PolarHBondContact O-N 3.28Å; I164-Y222 HydrophobicContact CD1-CD1 3.6Å; I164-Y222 HydrophobicContact CD1-CE1 4.45Å; I164-Y222 HydrophobicContact CD1-CG 4.47Å
165	D	97.8	Very high	97.7	Very high	105 Å²	105	33.9 Å²	33.9	56%	0.561	18%	0.178	S	C	*	.	H	α-helix	trans	-77.6	-34.7	-169	-74.6	-5	0	0	0	113.6	E161 F162	E161-D165 PolarHBondContact O-N 2.91Å; F162-D165 PolarHBondContact O-N 3.07Å
166	K	97.8	Very high	97.6	Very high	135 Å²	135	33.5 Å²	33.5	59%	0.587	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-24.3	-173.9	-55.9	-58.4	178.5	-170.5	0	113.2	F162	F162-K166 HydrophobicContact CD1-CB 4.18Å; F162-K166 HydrophobicContact CD2-CB 4.27Å; F162-K166 HydrophobicContact CD2-CG 3.88Å; F162-K166 HydrophobicContact CE1-CB 3.87Å; F162-K166 HydrophobicContact CE1-CG 4.45Å; F162-K166 HydrophobicContact CE2-CB 3.99Å; F162-K166 HydrophobicContact CE2-CG 3.66Å; F162-K166 HydrophobicContact CG-CB 4.38Å; F162-K166 HydrophobicContact CG-CG 4.38Å; F162-K166 HydrophobicContact CZ-CB 3.77Å; F162-K166 HydrophobicContact CZ-CG 3.97Å; F162-K166 WeakPolarHBondContact O-CB 3.36Å; F162-K166 PolarHBondContact O-N 3.48Å
167	G	98.1	Very high	97.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.			trans	71.6	167.3	-171.5	0	0	0	0	0	112.9	Q139 F162 W163 F217	Q139-G167 PolarHBondContact NE2-O 3.43Å; F162-G167 PolarHBondContact O-N 2.67Å; W163-G167 VanDerWaalsContact O-CA 3.31Å; W163-G167 WeakPolarHBondContact O-CA 3.1Å; W163-G167 PolarHBondContact O-N 3.22Å; G167-F217 CarbonylContact C-O 3.53Å; G167-F217 VanDerWaalsContact CA-O 3.27Å; G167-F217 WeakPolarHBondContact CA-O 3.29Å
168	L	98.6	Very high	97.2	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-129.7	133.6	-177.2	-65.5	170.8	0	0	0	111.2	I119 I135 Q139 L140 F162 W163 F217	I119-L168 HydrophobicContact CD1-CD1 3.8Å; I135-L168 HydrophobicContact CG2-CB 3.61Å; I135-L168 HydrophobicContact CG2-CD1 3.56Å; I135-L168 HydrophobicContact CG2-CG 4.21Å; Q139-L168 HydrophobicContact CB-CD2 4.34Å; Q139-L168 HydrophobicContact CG-CD2 4.25Å; Q139-L168 VanDerWaalsContact OE1-CA 3.23Å; L140-L168 HydrophobicContact CD1-CD1 4.03Å; L140-L168 HydrophobicContact CD2-CD1 4.06Å; L140-L168 HydrophobicContact CD2-CD2 3.7Å; L140-L168 HydrophobicContact CD2-CG 4.47Å; L140-L168 HydrophobicContact CG-CD1 3.97Å; L140-L168 HydrophobicContact CG-CD2 3.71Å; F162-L168 HydrophobicContact CD1-CD2 3.81Å; F162-L168 HydrophobicContact CE1-CD2 3.81Å; W163-L168 HydrophobicContact CB-CD1 3.88Å; W163-L168 HydrophobicContact CB-CG 4.29Å; W163-L168 HydrophobicContact CG-CD1 4.12Å; L168-F217 PolarHBondContact N-O 2.86Å; L168-F217 WeakPolarHBondContact O-CB 3.46Å; L168-F217 PolarHBondContact O-N 2.92Å
169	V	98.3	Very high	97.2	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	C	.	.			trans	-79.1	170.8	175.2	-57.8	0	0	0	0	111.6	S136 C180 M181 K212 D215	S136-V169 VanDerWaalsContact CB-O 3.31Å; S136-V169 WeakPolarHBondContact CB-O 3.36Å; S136-V169 PolarHBondContact N-O 2.87Å; V169-C180 HydrophobicContact CB-CB 3.9Å; V169-C180 HydrophobicContact CG2-CB 3.81Å; V169-M181 HydrophobicContact CG2-CB 3.86Å; V169-M181 HydrophobicContact CG2-CE 4.33Å; V169-M181 HydrophobicContact CG2-CG 3.75Å; V169-M181 HydrophobicContact CG2-SD 3.75Å; V169-K212 HydrophobicContact CG1-CG 3.78Å; V169-D215 WeakPolarHBondContact CA-O 3.04Å; V169-D215 WeakPolarHBondContact CB-OD2 3.4Å
170	T	98.5	Very high	97.2	Very high	16 Å²	16	51.3 Å²	51.3	10%	0.098	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-67.6	143.5	169	63.2	0	0	0	0	111	P133 Y134 C180 M181 Y208 D215 F217	P133-T170 HydrophobicContact CB-CG2 4.07Å; Y134-T170 CarbonylContact O-C 3.35Å; Y134-T170 WeakPolarHBondContact O-CA 3.5Å; T170-C180 WeakPolarHBondContact O-CB 3.3Å; T170-C180 PolarHBondContact O-N 3.06Å; T170-C180 VanDerWaalsContact O-N 3.12Å; T170-C180 PolarHBondContact OG1-N 3.45Å; T170-C180 VanDerWaalsContact OG1-N 3.14Å; T170-M181 PolarHBondContact O-N 2.8Å; T170-Y208 PolarHBondContact OG1-OH 2.9Å; T170-D215 WeakPolarHBondContact CA-OD2 3.46Å; T170-D215 VanDerWaalsContact CB-OD2 3.28Å; T170-D215 WeakPolarHBondContact CB-OD2 3.35Å; T170-D215 VanDerWaalsContact CG2-OD1 3.28Å; T170-D215 WeakPolarHBondContact CG2-OD1 3.35Å; T170-D215 PolarHBondContact N-OD2 3.46Å; T170-D215 PolarHBondContact OG1-OD1 3.49Å; T170-D215 PolarHBondContact OG1-OD2 3.28Å; T170-F217 HydrophobicContact CG2-CD2 4.47Å; T170-F217 HydrophobicContact CG2-CE2 3.76Å
171	G	98.2	Very high	97.2	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.031	25%	0.251	C	S	.	.			trans	-130.7	-161.2	166.8	0	0	0	0	0	110.4	Y134 S179 M181	Y134-G171 WeakPolarHBondContact CB-O 3.45Å; Y134-G171 VanDerWaalsContact CD1-O 3.23Å; Y134-G171 WeakPolarHBondContact CD1-O 3.29Å; Y134-G171 PolarHBondContact O-N 2.98Å; G171-S179 WeakPolarHBondContact CA-OG 3.35Å; G171-S179 WeakPolarHBondContact O-CB 3.32Å; G171-S179 PolarHBondContact O-OG 2.72Å; G171-M181 WeakPolarHBondContact CA-O 3.01Å
172	G	97.4	Very high	97.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.01	24%	0.236	C	C	.	.			trans	-169	169.6	-178.5	0	0	0	0	0	109.9	S179 P182 Y183	G172-S179 PolarHBondContact N-OG 3.49Å; G172-P182 WeakPolarHBondContact O-CA 3.03Å; G172-Y183 PolarHBondContact O-N 2.89Å
173	P	96.6	Very high	97.1	Very high	57 Å²	57	47.2 Å²	47.2	37%	0.37	23%	0.232	S	C	.	.	S	Bend	trans	-61.4	165.6	172.1	30.1	-36.4	0	0	0	110.9	F100 G175 D176	F100-P173 HydrophobicContact CZ-CB 4.19Å; F100-P173 HydrophobicContact CZ-CG 4.14Å; P173-G175 PolarHBondContact O-N 2.93Å; P173-D176 VanDerWaalsContact O-CB 3.23Å; P173-D176 WeakPolarHBondContact O-CB 3.48Å; P173-D176 PolarHBondContact O-N 2.83Å
174	Y	95.5	Very high	97	Very high	114 Å²	114	50.7 Å²	50.7	45%	0.447	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	132.6	174.6	178.1	-97.7	0	0	0	112.7	D176 Y183 E184 Q186	Y174-D176 VanDerWaalsContact C-N 3.3Å; Y174-D176 PolarHBondContact O-N 3.37Å; Y174-Y183 VanDerWaalsContact CA-O 3.27Å; Y174-Y183 WeakPolarHBondContact CA-O 3.4Å; Y174-E184 WeakPolarHBondContact CD2-O 3.24Å; Y174-E184 VanDerWaalsContact CE2-O 3.32Å; Y174-E184 WeakPolarHBondContact CE2-O 3.32Å; Y174-Q186 HydrophobicContact CD1-CG 4.32Å; Y174-Q186 HydrophobicContact CD2-CB 4.31Å; Y174-Q186 HydrophobicContact CE1-CB 4.15Å; Y174-Q186 HydrophobicContact CE1-CG 3.85Å; Y174-Q186 HydrophobicContact CE2-CB 3.92Å
175	G	94.4	Very high	96.8	Very high	56 Å²	56	49.3 Å²	49.3	58%	0.577	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	-3.7	-178.4	0	0	0	0	0	115.4	P173	P173-G175 PolarHBondContact O-N 2.93Å
176	D	95.6	Very high	96.4	Very high	43 Å²	43	49 Å²	49	23%	0.23	24%	0.236	C	C	.	.			trans	-63.1	141.8	170.8	-174	74.6	0	0	0	110.9	P173 Y174 K178 S179 P182	P173-D176 VanDerWaalsContact O-CB 3.23Å; P173-D176 WeakPolarHBondContact O-CB 3.48Å; P173-D176 PolarHBondContact O-N 2.83Å; Y174-D176 VanDerWaalsContact C-N 3.3Å; Y174-D176 PolarHBondContact O-N 3.37Å; D176-K178 PolarHBondContact OD2-N 3.11Å; D176-S179 WeakPolarHBondContact OD2-CB 3.5Å; D176-S179 PolarHBondContact OD2-N 3.24Å; D176-S179 VanDerWaalsContact OD2-N 3.09Å; D176-S179 PolarHBondContact OD2-OG 2.91Å; D176-P182 HydrophobicContact CB-CB 3.99Å; D176-P182 WeakPolarHBondContact O-CB 3.04Å; D176-P182 VanDerWaalsContact O-CG 3.27Å; D176-P182 WeakPolarHBondContact O-CG 3.45Å
177	R	93.9	Very high	95.7	Very high	209 Å²	209	45 Å²	45	79%	0.789	22%	0.224	S	C	*	.			trans	-130.6	15.3	176	-57.9	-170.5	-169.2	-126.8	2.6	112.1
178	K	94	Very high	94.4	Very high	183 Å²	183	47 Å²	47	80%	0.796	24%	0.237	S	C	*	.	S	Bend	trans	-110.8	7.6	-173.8	-61.9	-179	-177.2	176.3	0	112	D176 Y208	D176-K178 PolarHBondContact OD2-N 3.11Å; K178-Y208 WeakPolarHBondContact O-CE2 3.38Å
179	S	96.7	Very high	92.4	Very high	4 Å²	4	55.3 Å²	55.3	3%	0.028	28%	0.276	C	S	.	.	S	Bend	trans	-132	165.6	-179.1	58.3	0	0	0	0	110.2	G171 G172 D176 V205	G171-S179 WeakPolarHBondContact CA-OG 3.35Å; G171-S179 WeakPolarHBondContact O-CB 3.32Å; G171-S179 PolarHBondContact O-OG 2.72Å; G172-S179 PolarHBondContact N-OG 3.49Å; D176-S179 WeakPolarHBondContact OD2-CB 3.5Å; D176-S179 PolarHBondContact OD2-N 3.24Å; D176-S179 VanDerWaalsContact OD2-N 3.09Å; D176-S179 PolarHBondContact OD2-OG 2.91Å; S179-V205 VanDerWaalsContact O-CG2 3.29Å; S179-V205 WeakPolarHBondContact O-CG2 3.49Å
180	C	98.1	Very high	90.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-69.5	-51	-175.4	177.4	0	0	0	0	113	V169 T170 C204 V205 Y208 D215	V169-C180 HydrophobicContact CB-CB 3.9Å; V169-C180 HydrophobicContact CG2-CB 3.81Å; T170-C180 WeakPolarHBondContact O-CB 3.3Å; T170-C180 PolarHBondContact O-N 3.06Å; T170-C180 VanDerWaalsContact O-N 3.12Å; T170-C180 PolarHBondContact OG1-N 3.45Å; T170-C180 VanDerWaalsContact OG1-N 3.14Å; C180-C204 HydrophobicContact CB-CB 3.81Å; C180-C204 WeakPolarHBondContact CB-SG 3.38Å; C180-C204 CarbonylContact O-C 3.16Å; C180-C204 VanDerWaalsContact O-CA 3.23Å; C180-C204 WeakPolarHBondContact O-CA 3.45Å; C180-C204 WeakPolarHBondContact O-CB 3.39Å; C180-C204 WeakPolarHBondContact SG-CA 3.48Å; C180-C204 WeakPolarHBondContact SG-CB 3.45Å; C180-C204 CovalentContact SG-SG 2.03Å; C180-C204 PolarHBondContact SG-SG 2.86Å; C180-V205 PolarHBondContact O-N 2.66Å; C180-Y208 HydrophobicContact CB-CD1 4.03Å; C180-Y208 HydrophobicContact CB-CE1 3.7Å; C180-D215 WeakPolarHBondContact CB-OD2 3.45Å
181	M	98.1	Very high	88.2	Confident	7 Å²	7	67 Å²	67	3%	0.034	34%	0.339	C	S	.	.	S	Bend	trans	-133	79.2	-176.4	-68.3	-178.7	-169.8	0	0	110.6	S136 Q139 V169 T170 G171 K201 K212	S136-M181 WeakPolarHBondContact CB-O 3.46Å; S136-M181 WeakPolarHBondContact OG-CB 3.19Å; S136-M181 PolarHBondContact OG-O 2.74Å; Q139-M181 HydrophobicContact CB-SD 3.87Å; Q139-M181 HydrophobicContact CG-SD 4.01Å; V169-M181 HydrophobicContact CG2-CB 3.86Å; V169-M181 HydrophobicContact CG2-CE 4.33Å; V169-M181 HydrophobicContact CG2-CG 3.75Å; V169-M181 HydrophobicContact CG2-SD 3.75Å; T170-M181 PolarHBondContact O-N 2.8Å; G171-M181 WeakPolarHBondContact CA-O 3.01Å; M181-K201 WeakPolarHBondContact CE-O 3.31Å; M181-K212 HydrophobicContact CE-CD 3.83Å; M181-K212 HydrophobicContact CE-CG 4.36Å
182	P	97.9	Very high	86.5	Confident	9 Å²	9	75.1 Å²	75.1	6%	0.058	38%	0.376	C	S	.	.			trans	-67.6	155.5	173.8	32.5	-36.9	0	0	0	111.7	E138 G172 D176 E184 V205	E138-P182 WeakPolarHBondContact CG-O 3.43Å; G172-P182 WeakPolarHBondContact O-CA 3.03Å; D176-P182 HydrophobicContact CB-CB 3.99Å; D176-P182 WeakPolarHBondContact O-CB 3.04Å; D176-P182 VanDerWaalsContact O-CG 3.27Å; D176-P182 WeakPolarHBondContact O-CG 3.45Å; P182-E184 PolarHBondContact O-N 3.4Å; P182-V205 HydrophobicContact CG-CG1 3.88Å
183	Y	97.7	Very high	85.4	Confident	6 Å²	6	77.1 Å²	77.1	2%	0.024	40%	0.397	C	S	.	.			trans	-63.9	130.1	177.8	-161.3	-116.7	0	0	0	111.1	Q104 S109 D137 E138 L141 G172 Y174 I185	Q104-Y183 PolarHBondContact O-OH 3.02Å; S109-Y183 PolarHBondContact OG-OH 3.03Å; D137-Y183 WeakPolarHBondContact OD2-CD2 2.96Å; E138-Y183 HydrophobicContact CB-CD2 4.5Å; E138-Y183 WeakPolarHBondContact OE2-CA 3.29Å; L141-Y183 HydrophobicContact CD2-CE2 3.71Å; G172-Y183 PolarHBondContact O-N 2.89Å; Y174-Y183 VanDerWaalsContact CA-O 3.27Å; Y174-Y183 WeakPolarHBondContact CA-O 3.4Å; Y183-I185 HydrophobicContact CD1-CB 4.18Å; Y183-I185 WeakPolarHBondContact CD1-O 3.47Å; Y183-I185 HydrophobicContact CE1-CB 3.62Å; Y183-I185 HydrophobicContact CE1-CD1 4.49Å; Y183-I185 HydrophobicContact CE1-CG1 4.25Å
184	E	95.7	Very high	84.9	Confident	72 Å²	72	77.4 Å²	77.4	34%	0.336	40%	0.4	S	S	.	.			trans	-98.6	-14.5	-171.6	-59.4	-161.6	163.6	0	0	114	E138 Y174 P182 K201	E138-E184 HydrophobicContact CG-CG 4.38Å; E138-E184 PolarHBondContact OE2-N 3.21Å; Y174-E184 WeakPolarHBondContact CD2-O 3.24Å; Y174-E184 VanDerWaalsContact CE2-O 3.32Å; Y174-E184 WeakPolarHBondContact CE2-O 3.32Å; P182-E184 PolarHBondContact O-N 3.4Å; E184-K201 WeakPolarHBondContact OE1-CE 3.26Å; E184-K201 IonicContact OE1-NZ 3.44Å; E184-K201 PolarHBondContact OE1-NZ 3.28Å; E184-K201 WeakPolarHBondContact OE2-CE 3.3Å; E184-K201 IonicContact OE2-NZ 2.72Å; E184-K201 PolarHBondContact OE2-NZ 3.41Å
185	I	94.3	Very high	84.6	Confident	15 Å²	15	72.9 Å²	72.9	8%	0.077	39%	0.386	C	S	.	.	S	Bend	trans	-82.5	123.5	-178.7	-50.1	179.5	0	0	0	108.7	S105 N106 C107 L141 C151 Y183 A195 P198	S105-I185 PolarHBondContact OG-O 3.21Å; N106-I185 VanDerWaalsContact OD1-CG2 3.28Å; N106-I185 WeakPolarHBondContact OD1-CG2 3.42Å; C107-I185 HydrophobicContact CB-CD1 3.49Å; C107-I185 VanDerWaalsContact CB-CD1 3.49Å; C107-I185 VanDerWaalsContact SG-CD1 3.59Å; L141-I185 HydrophobicContact CD2-CD1 3.93Å; C151-I185 VanDerWaalsContact SG-CD1 3.57Å; Y183-I185 HydrophobicContact CD1-CB 4.18Å; Y183-I185 WeakPolarHBondContact CD1-O 3.47Å; Y183-I185 HydrophobicContact CE1-CB 3.62Å; Y183-I185 HydrophobicContact CE1-CD1 4.49Å; Y183-I185 HydrophobicContact CE1-CG1 4.25Å; I185-A195 HydrophobicContact CD1-CB 3.9Å; I185-A195 HydrophobicContact CG1-CB 4.38Å; I185-A195 HydrophobicContact CG2-CB 3.57Å; I185-P198 HydrophobicContact CD1-CG 4.24Å; I185-P198 HydrophobicContact CG1-CG 4.1Å
186	Q	89.4	Confident	84.6	Confident	98 Å²	98	78.5 Å²	78.5	46%	0.458	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-70.2	135.7	-177.7	-176.2	-179.5	-9.6	0	0	111.5	S105 Y174 C188	S105-Q186 VanDerWaalsContact CB-O 3.26Å; S105-Q186 WeakPolarHBondContact CB-O 3.29Å; S105-Q186 VanDerWaalsContact OG-C 3.29Å; S105-Q186 PolarHBondContact OG-O 2.84Å; Y174-Q186 HydrophobicContact CD1-CG 4.32Å; Y174-Q186 HydrophobicContact CD2-CB 4.31Å; Y174-Q186 HydrophobicContact CE1-CB 4.15Å; Y174-Q186 HydrophobicContact CE1-CG 3.85Å; Y174-Q186 HydrophobicContact CE2-CB 3.92Å; Q186-C188 PolarHBondContact O-N 3.46Å
187	P	82.6	Confident	84.6	Confident	51 Å²	51	78.5 Å²	78.5	33%	0.331	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-53.3	127.6	169.1	-27.1	35.5	0	0	0	111.2	S105 E189	S105-P187 WeakPolarHBondContact OG-CA 3.46Å; P187-E189 PolarHBondContact O-N 3.45Å
188	C	70	Confident	84.8	Confident	43 Å²	43	69.6 Å²	69.6	29%	0.291	37%	0.368	S	S	.	.	S	Bend	trans	-58.1	121.1	-161.8	-51.7	0	0	0	0	114.5	N106 Q186	N106-C188 VanDerWaalsContact CB-SG 3.51Å; N106-C188 PolarHBondContact N-SG 3.18Å; Q186-C188 PolarHBondContact O-N 3.46Å
189	E	57.8	Low	84.9	Confident	174 Å²	174	68.4 Å²	68.4	81%	0.813	37%	0.366	S	S	*	.			trans	-112.9	-17.9	155.8	-67.7	-171.4	173.1	0	0	112.6	P187	P187-E189 PolarHBondContact O-N 3.45Å
190	E	54.6	Low	85	Confident	154 Å²	154	70.6 Å²	70.6	72%	0.72	38%	0.38	S	S	*	.			trans	-88.3	144.5	-172.1	-63.1	-154	167.8	0	0	114.7
191	P	53.6	Low	84.9	Confident	107 Å²	107	74.7 Å²	74.7	70%	0.695	40%	0.398	S	S	*	.	S	Bend	trans	-78.2	-21	-167.9	-9.3	25.7	0	0	0	114.8
192	E	63.3	Low	84.7	Confident	175 Å²	175	81 Å²	81	82%	0.818	43%	0.428	S	S	*	.	S	Bend	trans	-135.2	131.5	-169	-67.1	-172.3	-179.6	0	0	113.2
193	G	74.4	Confident	84.5	Confident	43 Å²	43	88.8 Å²	88.8	44%	0.443	46%	0.461	S	S	.	.			trans	107.8	153	168.1	0	0	0	0	0	115.7	N106	N106-G193 PolarHBondContact ND2-O 2.87Å
194	S	84.5	Confident	84.5	Confident	62 Å²	62	89.7 Å²	89.7	43%	0.434	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-87.4	141	163.3	52.7	0	0	0	0	108.9	N106	N106-S194 CarbonylContact O-C 3.6Å; N106-S194 WeakPolarHBondContact O-CA 3.4Å
195	A	90.7	Very high	84.5	Confident	19 Å²	19	87.9 Å²	87.9	16%	0.157	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-61.7	148.4	171.9	0	0	0	0	0	111.3	N106 C107 C151 I185	N106-A195 PolarHBondContact ND2-N 2.03Å; N106-A195 PolarHBondContact O-N 3.42Å; N106-A195 WeakPolarHBondContact OD1-CB 3.29Å; C107-A195 HydrophobicContact CB-CB 4.27Å; C151-A195 WeakPolarHBondContact CB-O 3.23Å; I185-A195 HydrophobicContact CD1-CB 3.9Å; I185-A195 HydrophobicContact CG1-CB 4.38Å; I185-A195 HydrophobicContact CG2-CB 3.57Å
196	E	93.2	Very high	84.5	Confident	175 Å²	175	96.6 Å²	96.6	82%	0.818	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-75.2	154.4	167.9	-64.1	-171.5	168.2	0	0	110.3	P198	E196-P198 WeakPolarHBondContact O-CD 3.43Å
197	T	97	Very high	84.7	Confident	42 Å²	42	95.6 Å²	95.6	26%	0.258	52%	0.518	S	S	.	.	P	Polyproline II helix	trans	-69.5	125.4	174.1	-52.8	0	0	0	0	108.8	L141 G150 C151	L141-T197 HydrophobicContact CD1-CG2 4.31Å; L141-T197 HydrophobicContact CG-CG2 4.37Å; G150-T197 WeakPolarHBondContact CA-OG1 3.14Å; C151-T197 PolarHBondContact N-OG1 3.5Å
198	P	96.9	Very high	85.3	Confident	22 Å²	22	95.1 Å²	95.1	14%	0.143	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-59.1	155.7	174.4	-25	35.8	0	0	0	112.2	E138 L141 A142 I185 E196	E138-P198 WeakPolarHBondContact OE1-CB 3.47Å; E138-P198 VanDerWaalsContact OE1-CG 3.25Å; E138-P198 WeakPolarHBondContact OE1-CG 3.47Å; L141-P198 HydrophobicContact CD2-CG 4.42Å; A142-P198 HydrophobicContact CB-CB 4.32Å; A142-P198 WeakPolarHBondContact CB-O 3.46Å; I185-P198 HydrophobicContact CD1-CG 4.24Å; I185-P198 HydrophobicContact CG1-CG 4.1Å; E196-P198 WeakPolarHBondContact O-CD 3.43Å
199	Q	97.3	Very high	86.3	Confident	159 Å²	159	98.7 Å²	98.7	74%	0.743	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-75.6	138	174.9	-63.8	-61.5	-57.5	0	0	110.4	K201	Q199-K201 PolarHBondContact O-N 2.75Å
200	C	97.9	Very high	88	Confident	50 Å²	50	94 Å²	94	34%	0.338	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-58.2	131.2	172.9	-179.3	0	0	0	0	111.2	A142 C143	A142-C200 WeakPolarHBondContact O-CB 3.48Å; C143-C200 VanDerWaalsContact CA-SG 3.53Å; C143-C200 HydrophobicContact CB-CB 3.88Å; C143-C200 WeakPolarHBondContact CB-SG 3.16Å; C143-C200 WeakPolarHBondContact SG-CA 3.33Å; C143-C200 WeakPolarHBondContact SG-CB 3.4Å; C143-C200 CovalentContact SG-SG 2.04Å; C143-C200 PolarHBondContact SG-SG 3.22Å
201	K	95.9	Very high	89.8	Confident	85 Å²	85	90.9 Å²	90.9	37%	0.37	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-104	132.8	178.2	-61.9	-175.1	-175	-177.8	0	111.5	M181 E184 Q199 K212	M181-K201 WeakPolarHBondContact CE-O 3.31Å; E184-K201 WeakPolarHBondContact OE1-CE 3.26Å; E184-K201 IonicContact OE1-NZ 3.44Å; E184-K201 PolarHBondContact OE1-NZ 3.28Å; E184-K201 WeakPolarHBondContact OE2-CE 3.3Å; E184-K201 IonicContact OE2-NZ 2.72Å; E184-K201 PolarHBondContact OE2-NZ 3.41Å; Q199-K201 PolarHBondContact O-N 2.75Å; K201-K212 PolarHBondContact O-NZ 2.79Å
202	E	93.8	Very high	91.7	Very high	141 Å²	141	87.5 Å²	87.5	66%	0.659	48%	0.477	S	S	*	.	S	Bend	trans	-82.3	-16.7	177.3	-66.6	-53	148.2	0	0	113.7	K212	E202-K212 WeakPolarHBondContact O-CD 3.32Å; E202-K212 IonicContact OE2-NZ 3.9Å
203	K	94.6	Very high	93	Very high	172 Å²	172	85.1 Å²	85.1	75%	0.748	47%	0.47	S	S	*	.	S	Bend	trans	-125.5	153.9	179.9	-64.2	-177.2	179.4	-179.2	0	110.6
204	C	96.6	Very high	93.9	Very high	24 Å²	24	88.7 Å²	88.7	16%	0.162	48%	0.479	C	S	.	.	P	Polyproline II helix	trans	-61.6	161.3	168.3	-56.2	0	0	0	0	111.2	C180 Y208	C180-C204 HydrophobicContact CB-CB 3.81Å; C180-C204 WeakPolarHBondContact CB-SG 3.38Å; C180-C204 CarbonylContact O-C 3.16Å; C180-C204 VanDerWaalsContact O-CA 3.23Å; C180-C204 WeakPolarHBondContact O-CA 3.45Å; C180-C204 WeakPolarHBondContact O-CB 3.39Å; C180-C204 WeakPolarHBondContact SG-CA 3.48Å; C180-C204 WeakPolarHBondContact SG-CB 3.45Å; C180-C204 CovalentContact SG-SG 2.03Å; C180-C204 PolarHBondContact SG-SG 2.86Å; C204-Y208 HydrophobicContact CB-CD1 3.63Å; C204-Y208 HydrophobicContact CB-CE1 4.48Å; C204-Y208 HydrophobicContact CB-CG 4.27Å
205	V	96.5	Very high	94.5	Very high	35 Å²	35	86 Å²	86	21%	0.212	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-55.4	147.8	174.8	-65.8	0	0	0	0	111.9	S179 C180 P182 G207 Y208	S179-V205 VanDerWaalsContact O-CG2 3.29Å; S179-V205 WeakPolarHBondContact O-CG2 3.49Å; C180-V205 PolarHBondContact O-N 2.66Å; P182-V205 HydrophobicContact CG-CG1 3.88Å; V205-G207 PolarHBondContact O-N 3.44Å; V205-Y208 WeakPolarHBondContact O-CB 3.12Å; V205-Y208 PolarHBondContact O-N 3.24Å; V205-Y208 VanDerWaalsContact O-N 3.16Å
206	E	95	Very high	94.8	Very high	198 Å²	198	86.1 Å²	86.1	93%	0.925	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	135.3	-179.1	-171.6	178.8	-176.1	0	0	111.6	Y208	E206-Y208 VanDerWaalsContact C-N 3.33Å
207	G	92.6	Very high	95	Very high	77 Å²	77	78.5 Å²	78.5	79%	0.794	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.3	-10	-178	0	0	0	0	0	114.7	V205	V205-G207 PolarHBondContact O-N 3.44Å
208	Y	95.5	Very high	95.1	Very high	41 Å²	41	79.7 Å²	79.7	16%	0.161	43%	0.425	C	S	.	.			trans	-74.4	127	169.7	-171	-107.7	0	0	0	110.5	T170 K178 C180 C204 V205 E206 I210 D215	T170-Y208 PolarHBondContact OG1-OH 2.9Å; K178-Y208 WeakPolarHBondContact O-CE2 3.38Å; C180-Y208 HydrophobicContact CB-CD1 4.03Å; C180-Y208 HydrophobicContact CB-CE1 3.7Å; C204-Y208 HydrophobicContact CB-CD1 3.63Å; C204-Y208 HydrophobicContact CB-CE1 4.48Å; C204-Y208 HydrophobicContact CB-CG 4.27Å; V205-Y208 WeakPolarHBondContact O-CB 3.12Å; V205-Y208 PolarHBondContact O-N 3.24Å; V205-Y208 VanDerWaalsContact O-N 3.16Å; E206-Y208 VanDerWaalsContact C-N 3.33Å; Y208-I210 HydrophobicContact CD1-CB 4.35Å; Y208-I210 VanDerWaalsContact CD1-O 3.27Å; Y208-I210 WeakPolarHBondContact CD1-O 3Å; Y208-I210 HydrophobicContact CE1-CB 3.61Å; Y208-I210 HydrophobicContact CE1-CG1 4.43Å; Y208-I210 WeakPolarHBondContact CE1-O 3.41Å; Y208-D215 HydrophobicContact CE1-CB 4.32Å; Y208-D215 VanDerWaalsContact OH-CG 3.23Å; Y208-D215 PolarHBondContact OH-OD1 3.43Å
209	S	91.3	Very high	95.1	Very high	117 Å²	117	78.9 Å²	78.9	82%	0.818	42%	0.421	S	S	*	.			trans	-92.2	-12	-166	56.4	0	0	0	0	115.3
210	I	93.4	Very high	95.2	Very high	76 Å²	76	76.5 Å²	76.5	39%	0.39	41%	0.413	S	S	.	.	S	Bend	trans	-96.1	133.2	-178.6	-56.5	173.7	0	0	0	108.3	Y208 D214 D215	Y208-I210 HydrophobicContact CD1-CB 4.35Å; Y208-I210 VanDerWaalsContact CD1-O 3.27Å; Y208-I210 WeakPolarHBondContact CD1-O 3Å; Y208-I210 HydrophobicContact CE1-CB 3.61Å; Y208-I210 HydrophobicContact CE1-CG1 4.43Å; Y208-I210 WeakPolarHBondContact CE1-O 3.41Å; I210-D214 HydrophobicContact CG2-CB 3.81Å; I210-D215 HydrophobicContact CG2-CB 3.97Å
211	D	90.9	Very high	95.1	Very high	88 Å²	88	75.9 Å²	75.9	47%	0.471	41%	0.409	S	S	.	.			trans	-63.7	147.5	175.6	-174.8	-97.7	0	0	0	111	N213 D214 D215	D211-N213 PolarHBondContact O-N 2.89Å; D211-N213 VanDerWaalsContact O-N 3.15Å; D211-N213 WeakPolarHBondContact OD1-CB 3.28Å; D211-N213 PolarHBondContact OD1-N 3.3Å; D211-N213 PolarHBondContact OD1-ND2 3.17Å; D211-D214 PolarHBondContact O-N 2.65Å; D211-D215 PolarHBondContact O-N 3.31Å
212	K	93.6	Very high	95.2	Very high	37 Å²	37	72.8 Å²	72.8	16%	0.161	40%	0.395	C	S	.	.	H	α-helix	trans	-51.9	-40.8	179.8	-173.5	179.2	171.9	174.9	0	111.8	V169 M181 K201 E202 D215 T216	V169-K212 HydrophobicContact CG1-CG 3.78Å; M181-K212 HydrophobicContact CE-CD 3.83Å; M181-K212 HydrophobicContact CE-CG 4.36Å; K201-K212 PolarHBondContact O-NZ 2.79Å; E202-K212 WeakPolarHBondContact O-CD 3.32Å; E202-K212 IonicContact OE2-NZ 3.9Å; K212-D215 PolarHBondContact O-N 2.99Å; K212-T216 PolarHBondContact O-N 3.34Å; K212-T216 PolarHBondContact O-OG1 2.72Å
213	N	92.2	Very high	95.4	Very high	125 Å²	125	67.3 Å²	67.3	67%	0.668	37%	0.369	S	S	*	.	H	α-helix	trans	-67.8	-41.6	-179	-60.6	-60.4	0	0	0	112	D211 D215 T216	D211-N213 PolarHBondContact O-N 2.89Å; D211-N213 VanDerWaalsContact O-N 3.15Å; D211-N213 WeakPolarHBondContact OD1-CB 3.28Å; D211-N213 PolarHBondContact OD1-N 3.3Å; D211-N213 PolarHBondContact OD1-ND2 3.17Å; N213-D215 VanDerWaalsContact C-N 3.25Å; N213-D215 PolarHBondContact O-N 3.15Å; N213-T216 WeakPolarHBondContact O-CB 3.33Å; N213-T216 PolarHBondContact O-N 3.01Å
214	D	93.3	Very high	95.6	Very high	118 Å²	118	59.4 Å²	59.4	63%	0.631	33%	0.334	S	S	*	.	H	α-helix	trans	-71.8	-22.6	178.3	-67.9	-28.2	0	0	0	112.1	I210 D211 R326	I210-D214 HydrophobicContact CG2-CB 3.81Å; D211-D214 PolarHBondContact O-N 2.65Å; D214-R326 PolarHBondContact O-NH1 3.06Å; D214-R326 PolarHBondContact O-NH2 3.15Å
215	D	95.7	Very high	95.6	Very high	6 Å²	6	58.4 Å²	58.4	3%	0.032	33%	0.328	C	S	.	.	H	α-helix	trans	-89.7	-2.1	174.9	-162	52.1	0	0	0	114.1	V169 T170 C180 Y208 I210 D211 K212 N213 F217 R326	V169-D215 WeakPolarHBondContact CA-O 3.04Å; V169-D215 WeakPolarHBondContact CB-OD2 3.4Å; T170-D215 WeakPolarHBondContact CA-OD2 3.46Å; T170-D215 VanDerWaalsContact CB-OD2 3.28Å; T170-D215 WeakPolarHBondContact CB-OD2 3.35Å; T170-D215 VanDerWaalsContact CG2-OD1 3.28Å; T170-D215 WeakPolarHBondContact CG2-OD1 3.35Å; T170-D215 PolarHBondContact N-OD2 3.46Å; T170-D215 PolarHBondContact OG1-OD1 3.49Å; T170-D215 PolarHBondContact OG1-OD2 3.28Å; C180-D215 WeakPolarHBondContact CB-OD2 3.45Å; Y208-D215 HydrophobicContact CE1-CB 4.32Å; Y208-D215 VanDerWaalsContact OH-CG 3.23Å; Y208-D215 PolarHBondContact OH-OD1 3.43Å; I210-D215 HydrophobicContact CG2-CB 3.97Å; D211-D215 PolarHBondContact O-N 3.31Å; K212-D215 PolarHBondContact O-N 2.99Å; N213-D215 VanDerWaalsContact C-N 3.25Å; N213-D215 PolarHBondContact O-N 3.15Å; D215-F217 WeakPolarHBondContact O-CD2 3.4Å; D215-F217 WeakPolarHBondContact O-CE2 3.23Å; D215-R326 PolarHBondContact O-NH2 2.6Å
216	T	97	Very high	95.5	Very high	20 Å²	20	62 Å²	62	12%	0.123	34%	0.34	C	S	.	.			trans	-81.5	123.9	-176.2	-61.8	0	0	0	0	114.8	K212 N213 H218 R326	K212-T216 PolarHBondContact O-N 3.34Å; K212-T216 PolarHBondContact O-OG1 2.72Å; N213-T216 WeakPolarHBondContact O-CB 3.33Å; N213-T216 PolarHBondContact O-N 3.01Å; T216-H218 WeakPolarHBondContact CG2-CE1 3.05Å; T216-R326 VanDerWaalsContact N-NH2 3.11Å; T216-R326 PolarHBondContact O-NH2 2.8Å
217	F	98.1	Very high	95.5	Very high	15 Å²	15	55.2 Å²	55.2	7%	0.066	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-106	131	177.8	-68.1	-96.4	0	0	0	111.6	E131 P133 I135 W163 G167 L168 T170 D215 R326	E131-F217 HydrophobicContact CB-CE1 4.46Å; P133-F217 HydrophobicContact CB-CD1 4.31Å; P133-F217 HydrophobicContact CB-CD2 3.97Å; P133-F217 HydrophobicContact CB-CE1 3.98Å; P133-F217 HydrophobicContact CB-CE2 3.63Å; P133-F217 HydrophobicContact CB-CG 4.32Å; P133-F217 HydrophobicContact CB-CZ 3.64Å; P133-F217 HydrophobicContact CG-CD1 3.92Å; P133-F217 HydrophobicContact CG-CD2 4.39Å; P133-F217 HydrophobicContact CG-CE1 3.78Å; P133-F217 HydrophobicContact CG-CE2 4.29Å; P133-F217 HydrophobicContact CG-CG 4.24Å; P133-F217 HydrophobicContact CG-CZ 3.99Å; I135-F217 HydrophobicContact CD1-CB 3.8Å; I135-F217 HydrophobicContact CD1-CD2 4.06Å; I135-F217 HydrophobicContact CD1-CG 4Å; W163-F217 PolarHBondContact NE1-O 2.01Å; G167-F217 CarbonylContact C-O 3.53Å; G167-F217 VanDerWaalsContact CA-O 3.27Å; G167-F217 WeakPolarHBondContact CA-O 3.29Å; L168-F217 PolarHBondContact N-O 2.86Å; L168-F217 WeakPolarHBondContact O-CB 3.46Å; L168-F217 PolarHBondContact O-N 2.92Å; T170-F217 HydrophobicContact CG2-CD2 4.47Å; T170-F217 HydrophobicContact CG2-CE2 3.76Å; D215-F217 WeakPolarHBondContact O-CD2 3.4Å; D215-F217 WeakPolarHBondContact O-CE2 3.23Å; F217-R326 VanDerWaalsContact CE1-NE 3.33Å; F217-R326 VanDerWaalsContact CE2-CZ 3.45Å
218	H	98.3	Very high	95.7	Very high	67 Å²	67	54.6 Å²	54.6	31%	0.31	29%	0.294	S	S	.	.			trans	-110	154.2	-173.9	-70.6	82.2	0	0	0	113.3	H123 W163 T216 K324	H123-H218 PolarHBondContact CE1-O 2.88Å; H123-H218 VanDerWaalsContact CE1-O 3.26Å; W163-H218 VanDerWaalsContact CE2-C 3.49Å; W163-H218 PolarHBondContact NE1-O 2.72Å; T216-H218 WeakPolarHBondContact CG2-CE1 3.05Å; H218-K324 HydrophobicContact CB-CB 4.27Å; H218-K324 HydrophobicContact CB-CD 4.15Å; H218-K324 VanDerWaalsContact O-CB 3.28Å; H218-K324 WeakPolarHBondContact O-CB 3.35Å; H218-K324 PolarHBondContact O-N 3.34Å
219	G	98.2	Very high	95.7	Very high	5 Å²	5	54.8 Å²	54.8	5%	0.052	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	152.4	165.3	0	0	0	0	0	111.1	W163	W163-G219 VanDerWaalsContact CD2-CA 3.5Å; W163-G219 PolarHBondContact O-N 3.06Å
220	N	97.7	Very high	96	Very high	109 Å²	109	52 Å²	52	58%	0.583	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	-38.7	166.7	-177.5	83.4	0	0	0	111.4	I322 K324	N220-I322 HydrophobicContact CB-CG2 4.4Å; N220-I322 WeakPolarHBondContact CB-O 3.19Å; N220-I322 PolarHBondContact N-O 3.2Å; N220-K324 HydrophobicContact CB-CB 4.33Å
221	S	97.8	Very high	96.1	Very high	37 Å²	37	48.5 Å²	48.5	26%	0.259	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	152.4	-177.6	56.9	0	0	0	0	110.2	G321 I322	S221-G321 CarbonylContact O-C 3.46Å; S221-G321 VanDerWaalsContact O-CA 3.23Å; S221-G321 WeakPolarHBondContact O-CA 3.48Å; S221-I322 PolarHBondContact O-N 3.12Å
222	Y	97.9	Very high	96.5	Very high	20 Å²	20	44.3 Å²	44.3	8%	0.078	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	164.5	164.9	79.6	-86.2	0	0	0	109.8	P71 F160 E161 I164 I319 G320	P71-Y222 WeakPolarHBondContact CG-O 3.2Å; F160-Y222 HydrophobicContact CB-CD1 4.38Å; F160-Y222 HydrophobicContact CB-CD2 4.22Å; F160-Y222 HydrophobicContact CB-CG 3.86Å; E161-Y222 HydrophobicContact CB-CD1 4.49Å; E161-Y222 HydrophobicContact CB-CE1 3.81Å; E161-Y222 HydrophobicContact CG-CE1 4.22Å; I164-Y222 HydrophobicContact CD1-CD1 3.6Å; I164-Y222 HydrophobicContact CD1-CE1 4.45Å; I164-Y222 HydrophobicContact CD1-CG 4.47Å; Y222-I319 HydrophobicContact CD2-CG2 4.44Å; Y222-G320 CarbonylContact C-O 3.5Å; Y222-G320 WeakPolarHBondContact CA-O 3.26Å
223	Y	97.7	Very high	96.7	Very high	27 Å²	27	44.5 Å²	44.5	11%	0.106	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	149.2	174.4	41.1	-94.7	0	0	0	111.7	P71 K73 L225 E235 G320 I322	P71-Y223 CarbonylContact O-C 3.6Å; P71-Y223 VanDerWaalsContact O-CA 3.29Å; P71-Y223 WeakPolarHBondContact O-CA 3.29Å; P71-Y223 WeakPolarHBondContact O-CB 3.35Å; K73-Y223 HydrophobicContact CB-CD2 3.94Å; K73-Y223 HydrophobicContact CB-CG 4.38Å; K73-Y223 HydrophobicContact CD-CD2 3.96Å; K73-Y223 HydrophobicContact CD-CE2 3.74Å; Y223-L225 HydrophobicContact CD2-CD2 3.86Å; Y223-L225 HydrophobicContact CE2-CD2 3.86Å; Y223-E235 PolarHBondContact OH-OE1 2.84Å; Y223-E235 PolarHBondContact OH-OE2 2.93Å; Y223-G320 PolarHBondContact N-O 2.99Å; Y223-G320 PolarHBondContact O-N 3.46Å; Y223-I322 HydrophobicContact CE1-CD1 4.45Å; Y223-I322 HydrophobicContact CE1-CG1 4.04Å; Y223-I322 WeakPolarHBondContact OH-CD1 3.34Å
224	H	97.2	Very high	96.9	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.023	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	142.1	164.3	-67.8	-83.9	0	0	0	109.9	N69 P71 L72 K73 V318	N69-H224 PolarHBondContact O-CD2 3.03Å; N69-H224 PolarHBondContact O-NE2 3.06Å; P71-H224 PolarHBondContact O-N 2.91Å; L72-H224 HydrophobicContact CD1-CB 3.76Å; K73-H224 PolarHBondContact N-O 3.24Å; H224-V318 CarbonylContact C-O 3.57Å; H224-V318 WeakPolarHBondContact CA-O 3.48Å
225	L	96.7	Very high	97.1	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132	166.5	-57.5	177.2	0	0	0	108.4	K73 Y223 S227 L231 I232 E235 V242 V318	K73-L225 HydrophobicContact CB-CD2 4.05Å; K73-L225 HydrophobicContact CD-CD2 3.84Å; K73-L225 HydrophobicContact CG-CD2 4.33Å; Y223-L225 HydrophobicContact CD2-CD2 3.86Å; Y223-L225 HydrophobicContact CE2-CD2 3.86Å; L225-S227 PolarHBondContact O-N 2.92Å; L225-L231 HydrophobicContact CB-CD2 4.46Å; L225-L231 HydrophobicContact CD2-CG 4.46Å; L225-I232 HydrophobicContact CB-CG1 4.28Å; L225-I232 HydrophobicContact CD1-CB 4.42Å; L225-I232 HydrophobicContact CD1-CG1 4.03Å; L225-E235 HydrophobicContact CD1-CB 3.76Å; L225-E235 HydrophobicContact CD1-CG 3.68Å; L225-E235 HydrophobicContact CD2-CB 4.18Å; L225-E235 HydrophobicContact CD2-CG 4.01Å; L225-E235 HydrophobicContact CG-CG 4.42Å; L225-V242 HydrophobicContact CD1-CG1 4.05Å; L225-V318 HydrophobicContact CB-CB 4.26Å; L225-V318 HydrophobicContact CB-CG1 4.44Å; L225-V318 HydrophobicContact CD1-CB 4.36Å; L225-V318 HydrophobicContact CD1-CG1 3.65Å; L225-V318 HydrophobicContact CG-CG1 4.33Å; L225-V318 PolarHBondContact N-O 3.34Å
226	K	95.2	Very high	97.3	Very high	110 Å²	110	33 Å²	33	48%	0.478	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-55.5	141	166.9	-177.1	175.9	-179.4	178.7	0	108.8	L72 K73 T74 N228 L231	L72-K226 HydrophobicContact CD1-CB 4.37Å; K73-K226 PolarHBondContact O-N 3.03Å; T74-K226 HydrophobicContact CG2-CB 4.37Å; T74-K226 HydrophobicContact CG2-CD 4.27Å; K226-N228 PolarHBondContact O-N 2.86Å; K226-L231 HydrophobicContact CB-CD2 4.12Å
227	S	95.3	Very high	97.3	Very high	56 Å²	56	35.5 Å²	35.5	39%	0.392	18%	0.179	S	C	.	.	S	Bend	trans	-60.3	86.7	172.7	-165.2	0	0	0	0	110.7	L225 E315	L225-S227 PolarHBondContact O-N 2.92Å; S227-E315 WeakPolarHBondContact CA-O 3.23Å; S227-E315 WeakPolarHBondContact CB-O 3.18Å; S227-E315 PolarHBondContact OG-O 3.47Å
228	N	95.9	Very high	97.2	Very high	65 Å²	65	38.2 Å²	38.2	35%	0.348	19%	0.192	S	C	.	.			trans	-154.2	110.6	-174.8	180	-72.7	0	0	0	107.4	K226 T230 L231 I232	K226-N228 PolarHBondContact O-N 2.86Å; N228-T230 VanDerWaalsContact C-N 3.32Å; N228-T230 PolarHBondContact O-N 3.12Å; N228-T230 PolarHBondContact OD1-N 2.81Å; N228-L231 HydrophobicContact CB-CB 3.92Å; N228-L231 WeakPolarHBondContact O-CB 3.46Å; N228-L231 PolarHBondContact O-N 2.96Å; N228-L231 VanDerWaalsContact O-N 3.13Å; N228-L231 WeakPolarHBondContact OD1-CB 3.48Å; N228-L231 PolarHBondContact OD1-N 3.04Å; N228-I232 WeakPolarHBondContact O-CG1 3.33Å; N228-I232 PolarHBondContact O-N 2.97Å
229	E	96.8	Very high	97.1	Very high	45 Å²	45	37.2 Å²	37.2	21%	0.21	19%	0.189	C	C	.	.	H	α-helix	trans	-55.2	-44.3	-174.4	-168.3	-143.6	116.3	0	0	113.2	I232 R233 W287 R307 G308	E229-I232 PolarHBondContact O-N 2.97Å; E229-R233 WeakPolarHBondContact O-CG 3.33Å; E229-R233 PolarHBondContact O-N 3.27Å; E229-R233 IonicContact OE1-CZ 3.55Å; E229-R233 IonicContact OE1-NE 3.86Å; E229-R233 PolarHBondContact OE1-NE 3.35Å; E229-R233 IonicContact OE1-NH2 2.84Å; E229-R233 PolarHBondContact OE1-NH2 3.32Å; E229-W287 HydrophobicContact CG-CH2 4.26Å; E229-W287 HydrophobicContact CG-CZ2 3.84Å; E229-R307 HydrophobicContact CG-CG 3.57Å; E229-R307 IonicContact OE1-CZ 3.1Å; E229-R307 IonicContact OE1-NH1 2.69Å; E229-R307 PolarHBondContact OE1-NH1 3.37Å; E229-R307 IonicContact OE2-NH1 2.66Å; E229-G308 WeakPolarHBondContact OE2-CA 3.39Å
230	T	96.2	Very high	97.2	Very high	57 Å²	57	37 Å²	37	35%	0.35	19%	0.186	S	C	.	.	H	α-helix	trans	-64.9	-41.5	179.4	-53.4	0	0	0	0	111.6	I76 L82 N228 R233 Q234	I76-T230 HydrophobicContact CD1-CG2 3.69Å; L82-T230 HydrophobicContact CD1-CG2 4.36Å; N228-T230 VanDerWaalsContact C-N 3.32Å; N228-T230 PolarHBondContact O-N 3.12Å; N228-T230 PolarHBondContact OD1-N 2.81Å; T230-R233 PolarHBondContact O-N 3.49Å; T230-Q234 VanDerWaalsContact O-CB 3.31Å; T230-Q234 WeakPolarHBondContact O-CB 3.45Å; T230-Q234 PolarHBondContact O-N 3.2Å
231	L	96.8	Very high	97.2	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	16%	0.159	C	C	.	.	H	α-helix	trans	-63	-42.9	177	-178.7	66.4	0	0	0	111.4	K73 I76 L225 K226 N228 Q234 E235	K73-L231 HydrophobicContact CG-CD1 4.35Å; K73-L231 WeakPolarHBondContact O-CD2 3.21Å; I76-L231 HydrophobicContact CG1-CB 4.27Å; I76-L231 HydrophobicContact CG1-CD1 3.93Å; L225-L231 HydrophobicContact CB-CD2 4.46Å; L225-L231 HydrophobicContact CD2-CG 4.46Å; K226-L231 HydrophobicContact CB-CD2 4.12Å; N228-L231 HydrophobicContact CB-CB 3.92Å; N228-L231 WeakPolarHBondContact O-CB 3.46Å; N228-L231 PolarHBondContact O-N 2.96Å; N228-L231 VanDerWaalsContact O-N 3.13Å; N228-L231 WeakPolarHBondContact OD1-CB 3.48Å; N228-L231 PolarHBondContact OD1-N 3.04Å; L231-Q234 PolarHBondContact O-N 2.98Å; L231-E235 WeakPolarHBondContact O-CB 3.48Å; L231-E235 PolarHBondContact O-N 3.49Å
232	I	98.3	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-47.3	178.1	-63	163	0	0	0	110.3	L225 N228 E229 Q234 E235 I236 V242 W287 E315 V318	L225-I232 HydrophobicContact CB-CG1 4.28Å; L225-I232 HydrophobicContact CD1-CB 4.42Å; L225-I232 HydrophobicContact CD1-CG1 4.03Å; N228-I232 WeakPolarHBondContact O-CG1 3.33Å; N228-I232 PolarHBondContact O-N 2.97Å; E229-I232 PolarHBondContact O-N 2.97Å; I232-Q234 VanDerWaalsContact C-N 3.33Å; I232-Q234 PolarHBondContact O-N 3.24Å; I232-E235 PolarHBondContact O-N 3.23Å; I232-I236 HydrophobicContact CG2-CD1 3.89Å; I232-I236 WeakPolarHBondContact O-CG1 3.31Å; I232-I236 PolarHBondContact O-N 2.89Å; I232-V242 HydrophobicContact CG2-CG2 4.35Å; I232-W287 HydrophobicContact CB-CH2 3.74Å; I232-W287 HydrophobicContact CB-CZ2 4.17Å; I232-W287 HydrophobicContact CD1-CZ2 4.47Å; I232-W287 HydrophobicContact CG2-CH2 3.46Å; I232-W287 VanDerWaalsContact CG2-CH2 3.46Å; I232-W287 HydrophobicContact CG2-CZ2 3.96Å; I232-W287 HydrophobicContact CG2-CZ3 3.91Å; I232-E315 HydrophobicContact CD1-CB 3.91Å; I232-E315 HydrophobicContact CD1-CG 4.21Å; I232-V318 HydrophobicContact CD1-CG2 3.97Å; I232-V318 HydrophobicContact CG1-CG1 4.42Å; I232-V318 HydrophobicContact CG1-CG2 4.49Å; I232-V318 HydrophobicContact CG2-CG1 4.31Å
233	R	98.1	Very high	97.3	Very high	42 Å²	42	29 Å²	29	16%	0.158	14%	0.143	C	C	.	.	H	α-helix	trans	-59.6	-44	176.2	-73.7	-167	-79.6	138.8	-7	111.9	L82 E229 T230 I236 Y237 W278 W287	L82-R233 HydrophobicContact CD1-CB 3.72Å; E229-R233 WeakPolarHBondContact O-CG 3.33Å; E229-R233 PolarHBondContact O-N 3.27Å; E229-R233 IonicContact OE1-CZ 3.55Å; E229-R233 IonicContact OE1-NE 3.86Å; E229-R233 PolarHBondContact OE1-NE 3.35Å; E229-R233 IonicContact OE1-NH2 2.84Å; E229-R233 PolarHBondContact OE1-NH2 3.32Å; T230-R233 PolarHBondContact O-N 3.49Å; R233-I236 PolarHBondContact O-N 2.67Å; R233-Y237 WeakPolarHBondContact O-CB 3.23Å; R233-Y237 PolarHBondContact O-N 2.99Å; R233-W278 HydrophobicContact CB-CD2 4.24Å; R233-W278 HydrophobicContact CB-CE3 4.11Å; R233-W278 HydrophobicContact CB-CH2 4.04Å; R233-W278 HydrophobicContact CB-CZ2 4.13Å; R233-W278 HydrophobicContact CB-CZ3 4.02Å; R233-W278 HydrophobicContact CG-CD2 3.66Å; R233-W278 HydrophobicContact CG-CE3 3.82Å; R233-W278 HydrophobicContact CG-CG 4.09Å; R233-W278 HydrophobicContact CG-CZ2 4.36Å; R233-W278 HydrophobicContact CG-CZ3 4.26Å; R233-W278 WeakPolarHBondContact O-CH2 3.37Å; R233-W278 WeakPolarHBondContact O-CZ3 3.23Å; R233-W287 HydrophobicContact CB-CH2 4.44Å; R233-W287 HydrophobicContact CG-CH2 3.46Å; R233-W287 VanDerWaalsContact CG-CH2 3.46Å; R233-W287 HydrophobicContact CG-CZ3 3.55Å
234	Q	97	Very high	97.3	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-40.2	178.9	-176.8	165.1	-16.9	0	0	112.4	E78 L82 T230 L231 I232 Y237 Q238	E78-Q234 PolarHBondContact O-NE2 2.66Å; E78-Q234 PolarHBondContact O-OE1 3.1Å; L82-Q234 HydrophobicContact CD1-CB 4.16Å; T230-Q234 VanDerWaalsContact O-CB 3.31Å; T230-Q234 WeakPolarHBondContact O-CB 3.45Å; T230-Q234 PolarHBondContact O-N 3.2Å; L231-Q234 PolarHBondContact O-N 2.98Å; I232-Q234 VanDerWaalsContact C-N 3.33Å; I232-Q234 PolarHBondContact O-N 3.24Å; Q234-Y237 PolarHBondContact O-N 2.99Å; Q234-Q238 HydrophobicContact CG-CG 4.29Å; Q234-Q238 WeakPolarHBondContact O-CB 3.23Å; Q234-Q238 WeakPolarHBondContact O-CG 3.37Å; Q234-Q238 PolarHBondContact O-N 2.97Å
235	E	97.8	Very high	97.4	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-48.3	174.3	177.4	59	-152.9	0	0	111	K73 R122 Y223 L225 L231 I232 Y237 Q238 N239 V242	K73-E235 IonicContact NZ-OE2 3.65Å; K73-E235 PolarHBondContact NZ-OE2 3.48Å; R122-E235 IonicContact CZ-OE1 3.98Å; R122-E235 VanDerWaalsContact CZ-OE1 3.26Å; R122-E235 IonicContact NH1-OE1 2.53Å; R122-E235 PolarHBondContact NH1-OE1 3.37Å; R122-E235 IonicContact NH2-OE1 3.51Å; R122-E235 PolarHBondContact NH2-OE1 2.88Å; Y223-E235 PolarHBondContact OH-OE1 2.84Å; Y223-E235 PolarHBondContact OH-OE2 2.93Å; L225-E235 HydrophobicContact CD1-CB 3.76Å; L225-E235 HydrophobicContact CD1-CG 3.68Å; L225-E235 HydrophobicContact CD2-CB 4.18Å; L225-E235 HydrophobicContact CD2-CG 4.01Å; L225-E235 HydrophobicContact CG-CG 4.42Å; L231-E235 WeakPolarHBondContact O-CB 3.48Å; L231-E235 PolarHBondContact O-N 3.49Å; I232-E235 PolarHBondContact O-N 3.23Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.36Å; E235-Q238 PolarHBondContact O-N 2.92Å; E235-N239 VanDerWaalsContact CD-ND2 3.33Å; E235-N239 WeakPolarHBondContact O-CB 3.09Å; E235-N239 PolarHBondContact O-N 3.4Å; E235-N239 VanDerWaalsContact OE1-CB 3.26Å; E235-N239 WeakPolarHBondContact OE1-CB 3.49Å; E235-N239 PolarHBondContact OE1-ND2 2.82Å; E235-N239 VanDerWaalsContact OE1-ND2 3.17Å; E235-N239 PolarHBondContact OE2-ND2 3.22Å; E235-V242 HydrophobicContact CG-CG1 3.72Å
236	I	98.5	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61.3	-43.7	177.3	-65.3	163.7	0	0	0	110.7	F86 W92 I232 R233 Q238 G240 V242 I275 W278 W287	F86-I236 HydrophobicContact CD1-CG2 4.08Å; F86-I236 HydrophobicContact CE1-CG2 3.77Å; W92-I236 WeakPolarHBondContact CH2-O 3.2Å; I232-I236 HydrophobicContact CG2-CD1 3.89Å; I232-I236 WeakPolarHBondContact O-CG1 3.31Å; I232-I236 PolarHBondContact O-N 2.89Å; R233-I236 PolarHBondContact O-N 2.67Å; I236-Q238 PolarHBondContact O-N 3.47Å; I236-G240 WeakPolarHBondContact CA-O 3.45Å; I236-G240 VanDerWaalsContact O-CA 3.29Å; I236-G240 WeakPolarHBondContact O-CA 3.47Å; I236-G240 PolarHBondContact O-N 3.05Å; I236-V242 HydrophobicContact CD1-CG2 3.8Å; I236-V242 HydrophobicContact CG1-CB 4.4Å; I236-V242 HydrophobicContact CG1-CG1 3.9Å; I236-V242 HydrophobicContact CG1-CG2 3.76Å; I236-I275 HydrophobicContact CD1-CB 4.14Å; I236-I275 HydrophobicContact CD1-CG2 3.65Å; I236-W278 HydrophobicContact CB-CZ3 3.9Å; I236-W278 HydrophobicContact CG2-CE3 4.38Å; I236-W278 HydrophobicContact CG2-CZ3 3.81Å; I236-W287 HydrophobicContact CD1-CE3 4.36Å; I236-W287 HydrophobicContact CD1-CZ3 3.92Å
237	Y	97.8	Very high	97.6	Very high	71 Å²	71	22.5 Å²	22.5	28%	0.278	12%	0.115	S	C	.	.	H	α-helix	trans	-60.5	-44.4	-179.8	-170.9	-105.2	0	0	0	113.1	I80 L82 P83 F86 W92 R233 Q234 E235 W278	I80-Y237 HydrophobicContact CG2-CD1 4.45Å; I80-Y237 HydrophobicContact CG2-CE1 4.27Å; L82-Y237 HydrophobicContact CD2-CD1 3.99Å; L82-Y237 HydrophobicContact CD2-CD2 4.18Å; L82-Y237 HydrophobicContact CD2-CG 3.7Å; P83-Y237 HydrophobicContact CG-CE2 4.23Å; F86-Y237 AromaticContact CD2-CD2 3.53Å; F86-Y237 HydrophobicContact CD2-CD2 3.53Å; F86-Y237 AromaticContact CD2-CE2 3.92Å; F86-Y237 HydrophobicContact CD2-CE2 3.92Å; F86-Y237 AromaticContact CE2-CD2 3.39Å; F86-Y237 HydrophobicContact CE2-CD2 3.39Å; F86-Y237 AromaticContact CE2-CE2 3.81Å; F86-Y237 HydrophobicContact CE2-CE2 3.81Å; F86-Y237 HydrophobicContact CE2-CG 4.36Å; F86-Y237 HydrophobicContact CG-CD2 4.45Å; F86-Y237 HydrophobicContact CZ-CD2 4.24Å; W92-Y237 WeakPolarHBondContact CH2-O 3.47Å; W92-Y237 WeakPolarHBondContact CZ2-O 3.44Å; R233-Y237 WeakPolarHBondContact O-CB 3.23Å; R233-Y237 PolarHBondContact O-N 2.99Å; Q234-Y237 PolarHBondContact O-N 2.99Å; E235-Y237 VanDerWaalsContact C-N 3.33Å; E235-Y237 PolarHBondContact O-N 3.36Å; Y237-W278 HydrophobicContact CD2-CH2 4.21Å
238	Q	95.9	Very high	97.7	Very high	73 Å²	73	19.8 Å²	19.8	34%	0.341	10%	0.097	S	C	.	.	H	α-helix	trans	-87.1	-40.3	-172.2	-68.4	-178.8	-12.8	0	0	113	I80 Q234 E235 I236	I80-Q238 HydrophobicContact CD1-CG 4.27Å; Q234-Q238 HydrophobicContact CG-CG 4.29Å; Q234-Q238 WeakPolarHBondContact O-CB 3.23Å; Q234-Q238 WeakPolarHBondContact O-CG 3.37Å; Q234-Q238 PolarHBondContact O-N 2.97Å; E235-Q238 PolarHBondContact O-N 2.92Å; I236-Q238 PolarHBondContact O-N 3.47Å
239	N	97	Very high	97.8	Very high	45 Å²	45	18.9 Å²	18.9	24%	0.241	9%	0.088	C	C	.	.	H	α-helix	trans	-119.5	-6.4	-165.3	-59.9	-46.8	0	0	0	113.2	E235	E235-N239 VanDerWaalsContact CD-ND2 3.33Å; E235-N239 WeakPolarHBondContact O-CB 3.09Å; E235-N239 PolarHBondContact O-N 3.4Å; E235-N239 VanDerWaalsContact OE1-CB 3.26Å; E235-N239 WeakPolarHBondContact OE1-CB 3.49Å; E235-N239 PolarHBondContact OE1-ND2 2.82Å; E235-N239 VanDerWaalsContact OE1-ND2 3.17Å; E235-N239 PolarHBondContact OE2-ND2 3.22Å
240	G	98.5	Very high	97.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.			trans	96.9	-177.9	178.8	0	0	0	0	0	114.9	R122 I125 I236	R122-G240 PolarHBondContact NH2-O 2.73Å; I125-G240 VanDerWaalsContact CD1-CA 3.47Å; I236-G240 WeakPolarHBondContact CA-O 3.45Å; I236-G240 VanDerWaalsContact O-CA 3.29Å; I236-G240 WeakPolarHBondContact O-CA 3.47Å; I236-G240 PolarHBondContact O-N 3.05Å
241	P	98.9	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.066	C	C	.	.			trans	-46.1	152.5	-175.4	-31.9	38.5	0	0	0	114.6	A88 I98 V118 D121 R122 R274 I275 I276	A88-P241 HydrophobicContact CB-CG 3.96Å; I98-P241 HydrophobicContact CG2-CG 4.36Å; V118-P241 VanDerWaalsContact CG1-O 3.31Å; V118-P241 WeakPolarHBondContact CG1-O 3.22Å; D121-P241 HydrophobicContact CB-CG 4.07Å; D121-P241 WeakPolarHBondContact OD2-CG 3.25Å; R122-P241 PolarHBondContact NE-O 2.91Å; R122-P241 PolarHBondContact NH2-O 2.83Å; R122-P241 VanDerWaalsContact NH2-O 3.12Å; P241-R274 HydrophobicContact CB-CG 3.85Å; P241-I275 VanDerWaalsContact CA-O 3.23Å; P241-I275 WeakPolarHBondContact CA-O 3.14Å; P241-I275 WeakPolarHBondContact CB-O 3.46Å; P241-I276 HydrophobicContact CB-CG2 4.06Å; P241-I276 HydrophobicContact CG-CB 4.29Å; P241-I276 HydrophobicContact CG-CG2 3.92Å
242	V	98.9	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	153.8	179.2	-66	0	0	0	0	110.1	V118 R122 L225 I232 E235 I236 R274 I275 V318 I319	V118-V242 VanDerWaalsContact CG2-C 3.43Å; R122-V242 VanDerWaalsContact NH2-CG1 3.26Å; L225-V242 HydrophobicContact CD1-CG1 4.05Å; I232-V242 HydrophobicContact CG2-CG2 4.35Å; E235-V242 HydrophobicContact CG-CG1 3.72Å; I236-V242 HydrophobicContact CD1-CG2 3.8Å; I236-V242 HydrophobicContact CG1-CB 4.4Å; I236-V242 HydrophobicContact CG1-CG1 3.9Å; I236-V242 HydrophobicContact CG1-CG2 3.76Å; V242-R274 CarbonylContact O-C 3.49Å; V242-R274 WeakPolarHBondContact O-CA 3.28Å; V242-I275 HydrophobicContact CG2-CB 3.84Å; V242-I275 HydrophobicContact CG2-CD1 4.28Å; V242-I275 HydrophobicContact CG2-CG1 4.28Å; V242-I275 PolarHBondContact N-O 3.02Å; V242-I275 VanDerWaalsContact N-O 3.12Å; V242-I275 PolarHBondContact O-N 3.29Å; V242-V318 HydrophobicContact CB-CG1 3.75Å; V242-V318 HydrophobicContact CG1-CG1 4.35Å; V242-V318 HydrophobicContact CG2-CG1 3.53Å; V242-I319 WeakPolarHBondContact CB-O 3.44Å
243	E	98.7	Very high	97.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.5	169.4	-171.3	-73.9	135.8	0	0	108.1	V118 P156 F160 S245 A272 V273 V318 I319	V118-E243 HydrophobicContact CG2-CB 4.02Å; P156-E243 HydrophobicContact CB-CG 3.89Å; P156-E243 VanDerWaalsContact CB-OE2 3.3Å; P156-E243 WeakPolarHBondContact CB-OE2 3.3Å; P156-E243 HydrophobicContact CG-CG 4.35Å; F160-E243 HydrophobicContact CE2-CB 3.96Å; F160-E243 HydrophobicContact CE2-CG 4.48Å; F160-E243 HydrophobicContact CZ-CB 4.35Å; E243-S245 PolarHBondContact OE1-N 3.26Å; E243-A272 WeakPolarHBondContact OE1-CB 3.12Å; E243-V273 CarbonylContact C-O 3.52Å; E243-V273 WeakPolarHBondContact CA-O 3.33Å; E243-V318 CarbonylContact O-C 3.59Å; E243-V318 VanDerWaalsContact O-CA 3.26Å; E243-V318 WeakPolarHBondContact O-CA 3.46Å; E243-V318 WeakPolarHBondContact O-CG1 3.46Å; E243-I319 HydrophobicContact CB-CB 4.4Å; E243-I319 PolarHBondContact N-O 2.87Å; E243-I319 PolarHBondContact O-N 2.99Å
244	A	98.5	Very high	97.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	132.6	175.7	0	0	0	0	0	111.9	V273 I275 I314 R317 V318	A244-V273 HydrophobicContact CB-CG2 4.49Å; A244-V273 PolarHBondContact N-O 3.07Å; A244-V273 WeakPolarHBondContact O-CG2 3.08Å; A244-V273 PolarHBondContact O-N 3.14Å; A244-I275 HydrophobicContact CB-CD1 3.63Å; A244-I275 HydrophobicContact CB-CG1 3.86Å; A244-I314 HydrophobicContact CB-CG1 4.12Å; A244-R317 WeakPolarHBondContact CA-O 3.3Å; A244-V318 HydrophobicContact CB-CG2 4.08Å
245	S	98.2	Very high	97.6	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.007	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.6	166.9	-49.8	0	0	0	0	111	D60 E243 H271 I314 R317	D60-S245 WeakPolarHBondContact OD2-CB 3.49Å; D60-S245 PolarHBondContact OD2-OG 2.8Å; E243-S245 PolarHBondContact OE1-N 3.26Å; S245-H271 WeakPolarHBondContact CA-O 3.37Å; S245-I314 WeakPolarHBondContact O-CA 3.43Å; S245-R317 PolarHBondContact N-O 2.85Å
246	F	98.2	Very high	97.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.6	169.1	80.8	-68.1	0	0	0	112.4	V248 F252 H271 V273 F303 I305 C312 I314	F246-V248 HydrophobicContact CD2-CG2 4.48Å; F246-V248 HydrophobicContact CE1-CG2 4.16Å; F246-V248 HydrophobicContact CE2-CG2 3.74Å; F246-V248 HydrophobicContact CZ-CG2 3.55Å; F246-F252 HydrophobicContact CE2-CD1 4.19Å; F246-F252 AromaticContact CE2-CE1 3.99Å; F246-F252 HydrophobicContact CE2-CE1 3.99Å; F246-F252 HydrophobicContact CE2-CE2 4.43Å; F246-F252 HydrophobicContact CE2-CG 4.49Å; F246-F252 HydrophobicContact CE2-CZ 4.11Å; F246-F252 HydrophobicContact CZ-CD1 4.11Å; F246-F252 AromaticContact CZ-CE1 3.55Å; F246-F252 HydrophobicContact CZ-CE1 3.55Å; F246-F252 AromaticContact CZ-CZ 3.81Å; F246-F252 HydrophobicContact CZ-CZ 3.81Å; F246-H271 HydrophobicContact CD1-CB 4.23Å; F246-H271 VanDerWaalsContact CD1-O 3.3Å; F246-H271 WeakPolarHBondContact CD1-O 3.25Å; F246-H271 HydrophobicContact CE1-CB 3.73Å; F246-H271 AromaticContact CE1-CD2 3.64Å; F246-H271 HydrophobicContact CZ-CB 4.31Å; F246-H271 PolarHBondContact N-O 3.33Å; F246-H271 PolarHBondContact O-N 2.78Å; F246-V273 HydrophobicContact CD1-CG1 4.27Å; F246-V273 HydrophobicContact CD1-CG2 3.81Å; F246-V273 HydrophobicContact CE1-CG1 3.66Å; F246-V273 HydrophobicContact CE1-CG2 4.01Å; F246-F303 HydrophobicContact CE1-CZ 4.11Å; F246-F303 AromaticContact CZ-CZ 3.99Å; F246-F303 HydrophobicContact CZ-CZ 3.99Å; F246-I305 HydrophobicContact CD2-CD1 4.44Å; F246-C312 WeakPolarHBondContact CA-O 3.18Å; F246-C312 WeakPolarHBondContact CB-O 3.23Å; F246-C312 HydrophobicContact CD2-CB 4.06Å; F246-I314 HydrophobicContact CB-CB 3.76Å; F246-I314 HydrophobicContact CB-CD1 4.38Å; F246-I314 HydrophobicContact CB-CG1 3.92Å
247	S	98	Very high	97.6	Very high	6 Å²	6	16.3 Å²	16.3	4%	0.042	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	123.8	175.1	-67.3	0	0	0	0	110.6	L63 C312 F313	L63-S247 VanDerWaalsContact CD1-OG 3.25Å; L63-S247 WeakPolarHBondContact CD1-OG 2.98Å; S247-C312 PolarHBondContact N-O 3.33Å; S247-C312 WeakPolarHBondContact O-CB 3.49Å; S247-F313 WeakPolarHBondContact OG-CD2 3.07Å
248	V	98.2	Very high	97.6	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	121.9	171.8	175.6	0	0	0	0	109.1	L58 F246 F252 L253 L268 G269 H271	L58-V248 HydrophobicContact CD1-CB 4.06Å; L58-V248 HydrophobicContact CD1-CG1 4.12Å; L58-V248 HydrophobicContact CD2-CB 4.09Å; L58-V248 HydrophobicContact CD2-CG1 4.18Å; L58-V248 HydrophobicContact CD2-CG2 3.87Å; F246-V248 HydrophobicContact CD2-CG2 4.48Å; F246-V248 HydrophobicContact CE1-CG2 4.16Å; F246-V248 HydrophobicContact CE2-CG2 3.74Å; F246-V248 HydrophobicContact CZ-CG2 3.55Å; V248-F252 HydrophobicContact CG1-CB 4.35Å; V248-F252 HydrophobicContact CG1-CD1 4.08Å; V248-F252 HydrophobicContact CG2-CD1 4.29Å; V248-L253 HydrophobicContact CG1-CD2 4.32Å; V248-L268 HydrophobicContact CG1-CB 4.49Å; V248-L268 HydrophobicContact CG1-CD1 4.42Å; V248-L268 PolarHBondContact O-N 2.84Å; V248-G269 PolarHBondContact N-O 3.21Å; V248-H271 HydrophobicContact CG2-CB 3.52Å
249	Y	96.7	Very high	97.7	Very high	45 Å²	45	10.1 Å²	10.1	18%	0.176	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	159.9	168.7	-64.7	-90	0	0	0	110	D251 F252 Y262 Y267 C312	Y249-D251 VanDerWaalsContact C-N 3.28Å; Y249-D251 PolarHBondContact O-N 3.34Å; Y249-F252 VanDerWaalsContact O-CB 3.3Å; Y249-F252 WeakPolarHBondContact O-CB 3.43Å; Y249-F252 PolarHBondContact O-N 3.05Å; Y249-F252 VanDerWaalsContact O-N 3.08Å; Y249-Y262 VanDerWaalsContact CB-CD2 3.43Å; Y249-Y262 AromaticContact CD1-CD2 3.92Å; Y249-Y262 HydrophobicContact CD1-CD2 3.92Å; Y249-Y262 AromaticContact CD1-CE2 3.53Å; Y249-Y262 HydrophobicContact CD1-CE2 3.53Å; Y249-Y262 AromaticContact CD1-CZ 3.89Å; Y249-Y262 AromaticContact CD2-CD2 3.83Å; Y249-Y262 HydrophobicContact CD2-CD2 3.83Å; Y249-Y262 HydrophobicContact CD2-CE2 4.31Å; Y249-Y262 HydrophobicContact CD2-CG 4.1Å; Y249-Y262 HydrophobicContact CE1-CE2 4.33Å; Y249-Y262 HydrophobicContact CE2-CG 4.49Å; Y249-Y262 AromaticContact CG-CD2 3.45Å; Y249-Y262 HydrophobicContact CG-CD2 3.45Å; Y249-Y262 VanDerWaalsContact CG-CD2 3.45Å; Y249-Y262 AromaticContact CG-CE2 3.53Å; Y249-Y262 HydrophobicContact CG-CE2 3.53Å; Y249-Y262 HydrophobicContact CG-CG 4.13Å; Y249-Y267 HydrophobicContact CE1-CD2 4.35Å; Y249-C312 HydrophobicContact CE2-CB 4.31Å
250	M	95.5	Very high	97.8	Very high	19 Å²	19	8 Å²	8	9%	0.094	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-58.7	-34.9	-173.8	-176.9	171.2	-77.1	0	0	114	I24 L51 F252 L253 Y254 R266 L268	I24-M250 HydrophobicContact CD1-CE 4.32Å; I24-M250 HydrophobicContact CD1-SD 4.34Å; I24-M250 HydrophobicContact CG2-CG 3.76Å; I24-M250 HydrophobicContact CG2-SD 3.45Å; I24-M250 WeakPolarHBondContact CG2-SD 3.41Å; L51-M250 HydrophobicContact CD1-CE 3.66Å; L51-M250 HydrophobicContact CD2-CE 4.34Å; M250-F252 VanDerWaalsContact C-N 3.28Å; M250-F252 PolarHBondContact O-N 3.42Å; M250-L253 WeakPolarHBondContact O-CB 3.28Å; M250-L253 WeakPolarHBondContact O-CG 3.3Å; M250-L253 PolarHBondContact O-N 2.96Å; M250-Y254 WeakPolarHBondContact O-CD2 2.93Å; M250-Y254 WeakPolarHBondContact O-CE2 3.19Å; M250-R266 HydrophobicContact CE-CG 3.75Å; M250-R266 PolarHBondContact N-O 2.92Å; M250-L268 HydrophobicContact CB-CD1 4.31Å; M250-L268 HydrophobicContact CB-CG 4.4Å; M250-L268 HydrophobicContact CE-CD2 3.92Å
251	D	95.7	Very high	97.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-65.7	-26.9	177.3	64.3	-1.8	0	0	0	114	L28 W38 M40 Y249 L253 Y254 Y260 T263 A264	L28-D251 HydrophobicContact CD1-CB 4.4Å; W38-D251 HydrophobicContact CH2-CB 4.14Å; W38-D251 WeakPolarHBondContact CH2-O 3.44Å; W38-D251 HydrophobicContact CZ2-CB 4.32Å; M40-D251 HydrophobicContact CE-CB 4.27Å; Y249-D251 VanDerWaalsContact C-N 3.28Å; Y249-D251 PolarHBondContact O-N 3.34Å; D251-L253 PolarHBondContact O-N 3.2Å; D251-Y254 PolarHBondContact O-N 3.09Å; D251-Y260 PolarHBondContact OD1-OH 3.19Å; D251-T263 WeakPolarHBondContact OD2-CA 3.29Å; D251-T263 PolarHBondContact OD2-N 3.13Å; D251-T263 PolarHBondContact OD2-OG1 3.37Å; D251-A264 WeakPolarHBondContact CB-O 3.43Å; D251-A264 PolarHBondContact N-O 3.21Å; D251-A264 PolarHBondContact OD2-N 3.33Å
252	F	97.6	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-62.3	-29	179	-174	-113.2	0	0	0	112.8	F246 V248 Y249 M250 Y254 Y255 Y260 W293 F297 F303	F246-F252 HydrophobicContact CE2-CD1 4.19Å; F246-F252 AromaticContact CE2-CE1 3.99Å; F246-F252 HydrophobicContact CE2-CE1 3.99Å; F246-F252 HydrophobicContact CE2-CE2 4.43Å; F246-F252 HydrophobicContact CE2-CG 4.49Å; F246-F252 HydrophobicContact CE2-CZ 4.11Å; F246-F252 HydrophobicContact CZ-CD1 4.11Å; F246-F252 AromaticContact CZ-CE1 3.55Å; F246-F252 HydrophobicContact CZ-CE1 3.55Å; F246-F252 AromaticContact CZ-CZ 3.81Å; F246-F252 HydrophobicContact CZ-CZ 3.81Å; V248-F252 HydrophobicContact CG1-CB 4.35Å; V248-F252 HydrophobicContact CG1-CD1 4.08Å; V248-F252 HydrophobicContact CG2-CD1 4.29Å; Y249-F252 VanDerWaalsContact O-CB 3.3Å; Y249-F252 WeakPolarHBondContact O-CB 3.43Å; Y249-F252 PolarHBondContact O-N 3.05Å; Y249-F252 VanDerWaalsContact O-N 3.08Å; M250-F252 VanDerWaalsContact C-N 3.28Å; M250-F252 PolarHBondContact O-N 3.42Å; F252-Y254 PolarHBondContact O-N 2.92Å; F252-Y254 VanDerWaalsContact O-N 3.09Å; F252-Y255 WeakPolarHBondContact O-CB 3.26Å; F252-Y255 PolarHBondContact O-N 2.87Å; F252-Y260 HydrophobicContact CB-CE1 4.37Å; F252-Y260 HydrophobicContact CB-CE2 3.94Å; F252-Y260 AromaticContact CD2-CD1 3.75Å; F252-Y260 HydrophobicContact CD2-CD1 3.75Å; F252-Y260 AromaticContact CD2-CD2 3.78Å; F252-Y260 HydrophobicContact CD2-CD2 3.78Å; F252-Y260 AromaticContact CD2-CE1 3.72Å; F252-Y260 HydrophobicContact CD2-CE1 3.72Å; F252-Y260 AromaticContact CD2-CE2 3.76Å; F252-Y260 HydrophobicContact CD2-CE2 3.76Å; F252-Y260 AromaticContact CD2-CG 3.78Å; F252-Y260 HydrophobicContact CD2-CG 3.78Å; F252-Y260 AromaticContact CD2-CZ 3.74Å; F252-Y260 HydrophobicContact CE2-CD1 4.13Å; F252-Y260 HydrophobicContact CE2-CE1 4.47Å; F252-Y260 HydrophobicContact CE2-CG 4.15Å; F252-Y260 HydrophobicContact CG-CE1 4.38Å; F252-Y260 HydrophobicContact CG-CE2 4.36Å; F252-W293 AromaticContact CD1-CH2 3.82Å; F252-W293 HydrophobicContact CD1-CH2 3.82Å; F252-W293 AromaticContact CD1-CZ3 3.89Å; F252-W293 HydrophobicContact CD1-CZ3 3.89Å; F252-W293 AromaticContact CE1-CH2 3.55Å; F252-W293 HydrophobicContact CE1-CH2 3.55Å; F252-W293 AromaticContact CE1-CZ3 3.46Å; F252-W293 HydrophobicContact CE1-CZ3 3.46Å; F252-W293 VanDerWaalsContact CE1-CZ3 3.46Å; F252-W293 HydrophobicContact CZ-CZ3 4.48Å; F252-F297 HydrophobicContact CE1-CE2 4.47Å; F252-F297 AromaticContact CE1-CZ 3.89Å; F252-F297 HydrophobicContact CE1-CZ 3.89Å; F252-F297 HydrophobicContact CE2-CZ 4.32Å; F252-F297 HydrophobicContact CZ-CE1 4.37Å; F252-F297 AromaticContact CZ-CZ 3.67Å; F252-F297 HydrophobicContact CZ-CZ 3.67Å; F252-F303 HydrophobicContact CE2-CB 4.43Å; F252-F303 AromaticContact CE2-CD2 3.68Å; F252-F303 HydrophobicContact CE2-CD2 3.68Å; F252-F303 AromaticContact CE2-CE2 3.93Å; F252-F303 HydrophobicContact CE2-CE2 3.93Å; F252-F303 AromaticContact CE2-CG 3.98Å; F252-F303 HydrophobicContact CE2-CG 3.98Å; F252-F303 HydrophobicContact CE2-CZ 4.45Å; F252-F303 HydrophobicContact CZ-CB 4.5Å; F252-F303 AromaticContact CZ-CD1 3.9Å; F252-F303 HydrophobicContact CZ-CD1 3.9Å; F252-F303 AromaticContact CZ-CD2 3.8Å; F252-F303 HydrophobicContact CZ-CD2 3.8Å; F252-F303 AromaticContact CZ-CE1 3.93Å; F252-F303 HydrophobicContact CZ-CE1 3.93Å; F252-F303 AromaticContact CZ-CE2 3.83Å; F252-F303 HydrophobicContact CZ-CE2 3.83Å; F252-F303 AromaticContact CZ-CG 3.81Å; F252-F303 HydrophobicContact CZ-CG 3.81Å; F252-F303 AromaticContact CZ-CZ 3.88Å; F252-F303 HydrophobicContact CZ-CZ 3.88Å
253	L	96.5	Very high	97.5	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-58.9	-24	175.9	-55	-175.9	0	0	0	112	Y21 N43 F46 L51 I54 V248 M250 D251 L268	Y21-L253 HydrophobicContact CE2-CB 4.04Å; Y21-L253 PolarHBondContact OH-O 3Å; N43-L253 WeakPolarHBondContact CB-O 3.48Å; F46-L253 HydrophobicContact CD2-CB 4.17Å; F46-L253 WeakPolarHBondContact CD2-O 3.37Å; F46-L253 HydrophobicContact CE2-CB 4.14Å; F46-L253 HydrophobicContact CE2-CD2 4.09Å; F46-L253 VanDerWaalsContact CE2-O 3.31Å; F46-L253 WeakPolarHBondContact CE2-O 3.25Å; F46-L253 HydrophobicContact CZ-CD2 3.98Å; L51-L253 HydrophobicContact CD2-CD1 4.03Å; I54-L253 HydrophobicContact CD1-CD1 4.06Å; I54-L253 HydrophobicContact CG2-CD1 3.76Å; I54-L253 HydrophobicContact CG2-CD2 3.43Å; I54-L253 VanDerWaalsContact CG2-CD2 3.43Å; I54-L253 HydrophobicContact CG2-CG 4.22Å; V248-L253 HydrophobicContact CG1-CD2 4.32Å; M250-L253 WeakPolarHBondContact O-CB 3.28Å; M250-L253 WeakPolarHBondContact O-CG 3.3Å; M250-L253 PolarHBondContact O-N 2.96Å; D251-L253 PolarHBondContact O-N 3.2Å; L253-L268 HydrophobicContact CD1-CD1 3.61Å; L253-L268 HydrophobicContact CD2-CD1 4.24Å; L253-L268 HydrophobicContact CG-CD1 3.99Å
254	Y	96.2	Very high	97.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-101.8	13.1	-177.8	-53.5	-76.1	0	0	0	113	Y21 I24 Y25 L28 M40 G41 L42 M250 D251 F252 I256	Y21-Y254 HydrophobicContact CD2-CD1 4.43Å; Y21-Y254 AromaticContact CD2-CE1 3.47Å; Y21-Y254 HydrophobicContact CD2-CE1 3.47Å; Y21-Y254 VanDerWaalsContact CD2-CE1 3.47Å; Y21-Y254 AromaticContact CD2-CZ 3.64Å; Y21-Y254 WeakPolarHBondContact CD2-OH 3.36Å; Y21-Y254 HydrophobicContact CE1-CE1 4.17Å; Y21-Y254 AromaticContact CE2-CD1 3.54Å; Y21-Y254 HydrophobicContact CE2-CD1 3.54Å; Y21-Y254 AromaticContact CE2-CE1 2.99Å; Y21-Y254 HydrophobicContact CE2-CE1 2.99Å; Y21-Y254 HydrophobicContact CE2-CE2 4.38Å; Y21-Y254 HydrophobicContact CE2-CG 4.42Å; Y21-Y254 AromaticContact CE2-CZ 3.5Å; Y21-Y254 HydrophobicContact CG-CE1 4.22Å; Y21-Y254 AromaticContact CZ-CD1 3.64Å; Y21-Y254 AromaticContact CZ-CE1 3.4Å; Y21-Y254 PolarHBondContact O-OH 3.09Å; I24-Y254 WeakPolarHBondContact CB-OH 3.26Å; I24-Y254 HydrophobicContact CG2-CE2 3.93Å; I24-Y254 WeakPolarHBondContact CG2-OH 3.49Å; Y25-Y254 VanDerWaalsContact CB-CE1 3.47Å; Y25-Y254 AromaticContact CD2-CD1 3.53Å; Y25-Y254 HydrophobicContact CD2-CD1 3.53Å; Y25-Y254 HydrophobicContact CD2-CE1 4.02Å; Y25-Y254 AromaticContact CD2-CG 3.99Å; Y25-Y254 HydrophobicContact CD2-CG 3.99Å; Y25-Y254 HydrophobicContact CE2-CD1 4.47Å; Y25-Y254 HydrophobicContact CG-CD1 4.09Å; Y25-Y254 HydrophobicContact CG-CE1 4.14Å; Y25-Y254 PolarHBondContact N-OH 3.29Å; L28-Y254 HydrophobicContact CD1-CD2 3.64Å; L28-Y254 HydrophobicContact CD1-CE2 3.52Å; M40-Y254 CarbonylContact C-O 3.23Å; M40-Y254 WeakPolarHBondContact CA-O 3.43Å; M40-Y254 HydrophobicContact CG-CG 4.48Å; G41-Y254 PolarHBondContact N-O 2.9Å; G41-Y254 CarbonylContact O-C 3.57Å; G41-Y254 VanDerWaalsContact O-CA 3.22Å; G41-Y254 WeakPolarHBondContact O-CA 3.04Å; G41-Y254 VanDerWaalsContact O-CB 3.31Å; G41-Y254 WeakPolarHBondContact O-CB 3.49Å; G41-Y254 VanDerWaalsContact O-O 3.07Å; L42-Y254 HydrophobicContact CD2-CE1 4.39Å; M250-Y254 WeakPolarHBondContact O-CD2 2.93Å; M250-Y254 WeakPolarHBondContact O-CE2 3.19Å; D251-Y254 PolarHBondContact O-N 3.09Å; F252-Y254 PolarHBondContact O-N 2.92Å; F252-Y254 VanDerWaalsContact O-N 3.09Å; Y254-I256 PolarHBondContact O-N 3Å
255	Y	97.9	Very high	96.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	126.3	174.8	176	-90.2	0	0	0	111	W38 N43 F252 G258 Y260 F297 E299 F303 R304	W38-Y255 HydrophobicContact CB-CD2 4.42Å; W38-Y255 HydrophobicContact CB-CE2 4.3Å; W38-Y255 HydrophobicContact CD2-CD2 4.5Å; W38-Y255 HydrophobicContact CE3-CD2 4.09Å; N43-Y255 PolarHBondContact ND2-O 3.26Å; F252-Y255 WeakPolarHBondContact O-CB 3.26Å; F252-Y255 PolarHBondContact O-N 2.87Å; Y255-G258 WeakPolarHBondContact CE2-O 3.45Å; Y255-G258 PolarHBondContact OH-N 2.85Å; Y255-G258 PolarHBondContact OH-O 2.89Å; Y255-Y260 HydrophobicContact CD2-CD2 4.35Å; Y255-Y260 HydrophobicContact CD2-CG 4.5Å; Y255-F297 HydrophobicContact CD1-CE1 4.34Å; Y255-F297 HydrophobicContact CD1-CZ 4.08Å; Y255-E299 PolarHBondContact OH-OE2 2.83Å; Y255-F303 HydrophobicContact CD1-CB 3.84Å; Y255-F303 HydrophobicContact CE1-CB 3.38Å; Y255-F303 HydrophobicContact CE2-CB 4.29Å; Y255-F303 HydrophobicContact CG-CB 4.47Å; Y255-R304 PolarHBondContact OH-N 2.75Å; Y255-R304 VanDerWaalsContact OH-N 3.11Å
256	I	97.7	Very high	96.8	Very high	43 Å²	43	25.1 Å²	25.1	22%	0.221	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-49.1	172.8	-59.2	-60.9	0	0	0	111.4	K39 N43 Y254 G298	K39-I256 HydrophobicContact CB-CB 4.49Å; K39-I256 HydrophobicContact CD-CG2 4.4Å; K39-I256 HydrophobicContact CG-CB 4.46Å; K39-I256 WeakPolarHBondContact O-CB 3.25Å; K39-I256 PolarHBondContact O-N 3.08Å; N43-I256 HydrophobicContact CB-CD1 4.2Å; Y254-I256 PolarHBondContact O-N 3Å; I256-G298 CarbonylContact O-C 3.47Å; I256-G298 WeakPolarHBondContact O-CA 3.47Å
257	S	98.3	Very high	96.6	Very high	40 Å²	40	29.5 Å²	29.5	28%	0.28	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	170.3	-179.4	62.9	0	0	0	0	112.2	W38 K39	W38-S257 CarbonylContact C-O 3.58Å; W38-S257 VanDerWaalsContact CA-O 3.27Å; W38-S257 WeakPolarHBondContact CA-O 3.45Å; W38-S257 VanDerWaalsContact CB-O 3.29Å; W38-S257 WeakPolarHBondContact CB-O 3.4Å; K39-S257 PolarHBondContact N-O 2.87Å
258	G	98.4	Very high	96.5	Very high	9 Å²	9	30.6 Å²	30.6	9%	0.093	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.2	-165.2	179.4	0	0	0	0	0	112.8	T37 Y255 E299 R304	T37-G258 CarbonylContact O-C 3.58Å; Y255-G258 WeakPolarHBondContact CE2-O 3.45Å; Y255-G258 PolarHBondContact OH-N 2.85Å; Y255-G258 PolarHBondContact OH-O 2.89Å; G258-E299 PolarHBondContact N-OE1 3.37Å; G258-R304 VanDerWaalsContact CA-NH2 3.31Å; G258-R304 WeakPolarHBondContact O-CB 3.31Å
259	I	98.7	Very high	96.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	104.3	-178	-57.8	166.3	0	0	0	109	T37 T261 E281 V284 Y286 R304 K306	T37-I259 CarbonylContact C-O 3.53Å; T37-I259 VanDerWaalsContact CB-O 3.29Å; T37-I259 WeakPolarHBondContact CB-O 3.42Å; T37-I259 PolarHBondContact O-N 2.8Å; T37-I259 PolarHBondContact OG1-O 3.4Å; I259-T261 PolarHBondContact O-N 2.71Å; I259-E281 HydrophobicContact CD1-CB 4.08Å; I259-V284 HydrophobicContact CB-CG1 4.31Å; I259-V284 HydrophobicContact CD1-CB 3.67Å; I259-V284 HydrophobicContact CD1-CG1 3.74Å; I259-V284 VanDerWaalsContact CD1-O 3.29Å; I259-V284 WeakPolarHBondContact CD1-O 3.23Å; I259-V284 HydrophobicContact CG2-CG1 3.88Å; I259-Y286 HydrophobicContact CD1-CD1 3.64Å; I259-Y286 HydrophobicContact CD1-CG 4.25Å; I259-Y286 HydrophobicContact CG1-CD1 3.92Å; I259-Y286 HydrophobicContact CG1-CG 4.14Å; I259-R304 CarbonylContact C-O 3.56Å; I259-R304 HydrophobicContact CG1-CB 4.34Å; I259-K306 HydrophobicContact CG2-CB 4.22Å
260	Y	98.6	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	131.9	179	179.3	-106.6	0	0	0	111.5	W38 D251 F252 Y255 R304 I305 K306	W38-Y260 HydrophobicContact CD2-CD2 4.02Å; W38-Y260 AromaticContact CE2-CD2 3.69Å; W38-Y260 HydrophobicContact CE3-CD2 4.47Å; W38-Y260 HydrophobicContact CG-CD2 4.45Å; W38-Y260 HydrophobicContact CH2-CD2 4.4Å; W38-Y260 HydrophobicContact CH2-CE2 4.28Å; W38-Y260 AromaticContact CZ2-CD2 3.93Å; W38-Y260 HydrophobicContact CZ2-CD2 3.93Å; W38-Y260 AromaticContact CZ2-CE2 3.83Å; W38-Y260 HydrophobicContact CZ2-CE2 3.83Å; W38-Y260 AromaticContact NE1-CD2 3.86Å; D251-Y260 PolarHBondContact OD1-OH 3.19Å; F252-Y260 HydrophobicContact CB-CE1 4.37Å; F252-Y260 HydrophobicContact CB-CE2 3.94Å; F252-Y260 AromaticContact CD2-CD1 3.75Å; F252-Y260 HydrophobicContact CD2-CD1 3.75Å; F252-Y260 AromaticContact CD2-CD2 3.78Å; F252-Y260 HydrophobicContact CD2-CD2 3.78Å; F252-Y260 AromaticContact CD2-CE1 3.72Å; F252-Y260 HydrophobicContact CD2-CE1 3.72Å; F252-Y260 AromaticContact CD2-CE2 3.76Å; F252-Y260 HydrophobicContact CD2-CE2 3.76Å; F252-Y260 AromaticContact CD2-CG 3.78Å; F252-Y260 HydrophobicContact CD2-CG 3.78Å; F252-Y260 AromaticContact CD2-CZ 3.74Å; F252-Y260 HydrophobicContact CE2-CD1 4.13Å; F252-Y260 HydrophobicContact CE2-CE1 4.47Å; F252-Y260 HydrophobicContact CE2-CG 4.15Å; F252-Y260 HydrophobicContact CG-CE1 4.38Å; F252-Y260 HydrophobicContact CG-CE2 4.36Å; Y255-Y260 HydrophobicContact CD2-CD2 4.35Å; Y255-Y260 HydrophobicContact CD2-CG 4.5Å; Y260-R304 WeakPolarHBondContact CB-O 3.5Å; Y260-R304 PolarHBondContact N-O 3.43Å; Y260-I305 HydrophobicContact CD1-CD1 3.88Å; Y260-I305 HydrophobicContact CD1-CG1 3.98Å; Y260-I305 HydrophobicContact CE1-CD1 4.4Å; Y260-K306 PolarHBondContact O-N 3.36Å
261	T	97.8	Very high	96.7	Very high	22 Å²	22	28.3 Å²	28.3	14%	0.135	14%	0.144	C	C	.	.			trans	-137.8	137	166.8	45.8	0	0	0	0	106.8	T37 W38 I259 T263 K306 E311	T37-T261 PolarHBondContact OG1-OG1 3.12Å; W38-T261 PolarHBondContact NE1-O 3.24Å; I259-T261 PolarHBondContact O-N 2.71Å; T261-T263 PolarHBondContact O-N 3.38Å; T261-K306 HydrophobicContact CG2-CB 3.72Å; T261-K306 HydrophobicContact CG2-CD 3.6Å; T261-K306 HydrophobicContact CG2-CG 4.28Å; T261-E311 WeakPolarHBondContact CA-OE1 3.49Å
262	Y	96.7	Very high	96.8	Very high	96 Å²	96	28.3 Å²	28.3	38%	0.376	14%	0.144	S	C	.	.			trans	-63.4	132.8	176.8	168.8	-112.3	0	0	0	110.1	Y249 A264 G265 E311	Y249-Y262 VanDerWaalsContact CB-CD2 3.43Å; Y249-Y262 AromaticContact CD1-CD2 3.92Å; Y249-Y262 HydrophobicContact CD1-CD2 3.92Å; Y249-Y262 AromaticContact CD1-CE2 3.53Å; Y249-Y262 HydrophobicContact CD1-CE2 3.53Å; Y249-Y262 AromaticContact CD1-CZ 3.89Å; Y249-Y262 AromaticContact CD2-CD2 3.83Å; Y249-Y262 HydrophobicContact CD2-CD2 3.83Å; Y249-Y262 HydrophobicContact CD2-CE2 4.31Å; Y249-Y262 HydrophobicContact CD2-CG 4.1Å; Y249-Y262 HydrophobicContact CE1-CE2 4.33Å; Y249-Y262 HydrophobicContact CE2-CG 4.49Å; Y249-Y262 AromaticContact CG-CD2 3.45Å; Y249-Y262 HydrophobicContact CG-CD2 3.45Å; Y249-Y262 VanDerWaalsContact CG-CD2 3.45Å; Y249-Y262 AromaticContact CG-CE2 3.53Å; Y249-Y262 HydrophobicContact CG-CE2 3.53Å; Y249-Y262 HydrophobicContact CG-CG 4.13Å; Y262-A264 VanDerWaalsContact CE2-C 3.42Å; Y262-A264 VanDerWaalsContact CE2-O 3.23Å; Y262-A264 WeakPolarHBondContact CE2-O 3.31Å; Y262-G265 VanDerWaalsContact CE2-O 3.31Å; Y262-G265 WeakPolarHBondContact CE2-O 3.39Å; Y262-G265 PolarHBondContact OH-O 2.69Å; Y262-E311 PolarHBondContact N-OE1 2.72Å
263	T	94.6	Very high	96.9	Very high	52 Å²	52	28.4 Å²	28.4	32%	0.319	15%	0.145	S	C	.	.			trans	-124.6	-41.3	-178.5	54.5	0	0	0	0	112.6	P35 D251 T261	P35-T263 HydrophobicContact CB-CG2 4.01Å; D251-T263 WeakPolarHBondContact OD2-CA 3.29Å; D251-T263 PolarHBondContact OD2-N 3.13Å; D251-T263 PolarHBondContact OD2-OG1 3.37Å; T261-T263 PolarHBondContact O-N 3.38Å
264	A	93.4	Very high	97	Very high	8 Å²	8	28.5 Å²	28.5	7%	0.066	15%	0.145	C	C	.	.	S	Bend	trans	-161.6	163.3	-172.5	0	0	0	0	0	113.5	L28 D251 Y262	L28-A264 HydrophobicContact CD2-CB 3.85Å; D251-A264 WeakPolarHBondContact CB-O 3.43Å; D251-A264 PolarHBondContact N-O 3.21Å; D251-A264 PolarHBondContact OD2-N 3.33Å; Y262-A264 VanDerWaalsContact CE2-C 3.42Å; Y262-A264 VanDerWaalsContact CE2-O 3.23Å; Y262-A264 WeakPolarHBondContact CE2-O 3.31Å
265	G	92.9	Very high	97.1	Very high	23 Å²	23	28.6 Å²	28.6	24%	0.237	15%	0.145	C	C	.	.	S	Bend	trans	88.8	152.9	173.5	0	0	0	0	0	114.1	Y262	Y262-G265 VanDerWaalsContact CE2-O 3.31Å; Y262-G265 WeakPolarHBondContact CE2-O 3.39Å; Y262-G265 PolarHBondContact OH-O 2.69Å
266	R	94.2	Very high	97.1	Very high	160 Å²	160	28.6 Å²	28.6	60%	0.604	15%	0.145	S	C	*	.			trans	-67.1	157.4	-173.5	64.2	177.7	-179.8	-173.5	-3.2	112.7	M250 L268	M250-R266 HydrophobicContact CE-CG 3.75Å; M250-R266 PolarHBondContact N-O 2.92Å; R266-L268 HydrophobicContact CG-CD2 4.3Å
267	Y	95.7	Very high	97.2	Very high	92 Å²	92	26.5 Å²	26.5	36%	0.361	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	136.9	165.6	176	-104.4	0	0	0	110.7	Y249 G269 G270	Y249-Y267 HydrophobicContact CE1-CD2 4.35Å; Y267-G269 VanDerWaalsContact CE2-O 3.28Å; Y267-G269 WeakPolarHBondContact CE2-O 3.28Å; Y267-G269 VanDerWaalsContact CZ-C 3.42Å; Y267-G269 VanDerWaalsContact CZ-CA 3.45Å; Y267-G269 WeakPolarHBondContact OH-CA 3.46Å; Y267-G270 PolarHBondContact OH-N 2.94Å
268	L	96	Very high	97.2	Very high	30 Å²	30	24.8 Å²	24.8	16%	0.157	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-36.9	179.7	-64.2	-177.9	0	0	0	112.9	L58 V248 M250 L253 R266	L58-L268 HydrophobicContact CD1-CB 3.58Å; V248-L268 HydrophobicContact CG1-CB 4.49Å; V248-L268 HydrophobicContact CG1-CD1 4.42Å; V248-L268 PolarHBondContact O-N 2.84Å; M250-L268 HydrophobicContact CB-CD1 4.31Å; M250-L268 HydrophobicContact CB-CG 4.4Å; M250-L268 HydrophobicContact CE-CD2 3.92Å; L253-L268 HydrophobicContact CD1-CD1 3.61Å; L253-L268 HydrophobicContact CD2-CD1 4.24Å; L253-L268 HydrophobicContact CG-CD1 3.99Å; R266-L268 HydrophobicContact CG-CD2 4.3Å
269	G	96.6	Very high	97.2	Very high	11 Å²	11	24.3 Å²	24.3	11%	0.113	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.4	178.5	-175.9	0	0	0	0	0	113.5	V248 Y267	V248-G269 PolarHBondContact N-O 3.21Å; Y267-G269 VanDerWaalsContact CE2-O 3.28Å; Y267-G269 WeakPolarHBondContact CE2-O 3.28Å; Y267-G269 VanDerWaalsContact CZ-C 3.42Å; Y267-G269 VanDerWaalsContact CZ-CA 3.45Å; Y267-G269 WeakPolarHBondContact OH-CA 3.46Å
270	G	97.8	Very high	97.2	Very high	4 Å²	4	28.6 Å²	28.6	4%	0.041	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	142.3	172.6	0	0	0	0	0	111.1	L58 D60 Y267	L58-G270 CarbonylContact C-O 3.55Å; L58-G270 VanDerWaalsContact C-O 3.23Å; L58-G270 WeakPolarHBondContact CA-O 3.27Å; L58-G270 WeakPolarHBondContact CB-O 3.4Å; D60-G270 PolarHBondContact N-O 2.67Å; D60-G270 WeakPolarHBondContact O-CA 3.45Å; Y267-G270 PolarHBondContact OH-N 2.94Å
271	H	98.5	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138	176.1	-169.6	43.8	0	0	0	110.9	L58 Q104 C110 S245 F246 V248 N291 W293	L58-H271 HydrophobicContact CD2-CB 4.07Å; Q104-H271 PolarHBondContact OE1-CE1 2.87Å; C110-H271 WeakPolarHBondContact CB-CE1 3.46Å; C110-H271 WeakPolarHBondContact CB-ND1 3.36Å; C110-H271 PolarHBondContact SG-ND1 3.09Å; C110-H271 VanDerWaalsContact SG-ND1 3.44Å; S245-H271 WeakPolarHBondContact CA-O 3.37Å; F246-H271 HydrophobicContact CD1-CB 4.23Å; F246-H271 VanDerWaalsContact CD1-O 3.3Å; F246-H271 WeakPolarHBondContact CD1-O 3.25Å; F246-H271 HydrophobicContact CE1-CB 3.73Å; F246-H271 AromaticContact CE1-CD2 3.64Å; F246-H271 HydrophobicContact CZ-CB 4.31Å; F246-H271 PolarHBondContact N-O 3.33Å; F246-H271 PolarHBondContact O-N 2.78Å; V248-H271 HydrophobicContact CG2-CB 3.52Å; H271-N291 PolarHBondContact NE2-OD1 3.4Å; H271-W293 AromaticContact CD2-CZ2 3.46Å; H271-W293 VanDerWaalsContact CD2-CZ2 3.46Å; H271-W293 WeakPolarHBondContact CD2-CZ2 3.13Å; H271-W293 AromaticContact CE1-CE2 3.84Å; H271-W293 AromaticContact CE1-CZ2 3.9Å; H271-W293 AromaticContact CE1-NE1 3.46Å; H271-W293 PolarHBondContact CE1-NE1 2.79Å; H271-W293 AromaticContact CG-CZ2 3.99Å; H271-W293 AromaticContact NE2-CE2 3.46Å; H271-W293 AromaticContact NE2-CZ2 3.42Å; H271-W293 WeakPolarHBondContact NE2-CZ2 3.36Å; H271-W293 AromaticContact NE2-NE1 3.49Å; H271-W293 PolarHBondContact NE2-NE1 2.03Å
272	A	98.7	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	130.8	179.5	0	0	0	0	0	110.1	D60 C110 S114 P156 E243	D60-A272 HydrophobicContact CB-CB 3.93Å; C110-A272 HydrophobicContact CB-CB 4.37Å; S114-A272 WeakPolarHBondContact OG-CB 3.48Å; P156-A272 HydrophobicContact CG-CB 3.92Å; E243-A272 WeakPolarHBondContact OE1-CB 3.12Å
273	V	98.9	Very high	97.2	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	168.5	-173.8	-70	0	0	0	0	111.2	E243 A244 F246 V289 F303 I314	E243-V273 CarbonylContact C-O 3.52Å; E243-V273 WeakPolarHBondContact CA-O 3.33Å; A244-V273 HydrophobicContact CB-CG2 4.49Å; A244-V273 PolarHBondContact N-O 3.07Å; A244-V273 WeakPolarHBondContact O-CG2 3.08Å; A244-V273 PolarHBondContact O-N 3.14Å; F246-V273 HydrophobicContact CD1-CG1 4.27Å; F246-V273 HydrophobicContact CD1-CG2 3.81Å; F246-V273 HydrophobicContact CE1-CG1 3.66Å; F246-V273 HydrophobicContact CE1-CG2 4.01Å; V273-V289 HydrophobicContact CB-CG1 3.57Å; V273-V289 HydrophobicContact CG1-CG1 4.33Å; V273-V289 HydrophobicContact CG2-CG1 3.5Å; V273-F303 HydrophobicContact CG1-CE1 4.1Å; V273-F303 HydrophobicContact CG1-CZ 4.31Å; V273-F303 HydrophobicContact CG2-CZ 4.34Å; V273-I314 HydrophobicContact CG2-CD1 4.45Å
274	R	98.8	Very high	97.3	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.011	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121	178.5	169.7	-179.1	64.8	172.6	-3.3	110.3	Y97 F100 V118 D121 P241 V242 I276 V289 T290	Y97-R274 PolarHBondContact O-NH1 2.91Å; F100-R274 PolarHBondContact O-NH2 3.42Å; V118-R274 HydrophobicContact CG2-CB 3.99Å; V118-R274 HydrophobicContact CG2-CG 3.63Å; D121-R274 VanDerWaalsContact CG-NH1 3.25Å; D121-R274 IonicContact OD1-NH1 3.47Å; D121-R274 PolarHBondContact OD1-NH1 3.43Å; D121-R274 VanDerWaalsContact OD1-NH1 3.13Å; D121-R274 WeakPolarHBondContact OD2-CD 3.47Å; D121-R274 IonicContact OD2-CZ 3.79Å; D121-R274 IonicContact OD2-NE 3.57Å; D121-R274 IonicContact OD2-NH1 3.3Å; D121-R274 PolarHBondContact OD2-NH1 2.88Å; P241-R274 HydrophobicContact CB-CG 3.85Å; V242-R274 CarbonylContact O-C 3.49Å; V242-R274 WeakPolarHBondContact O-CA 3.28Å; R274-I276 HydrophobicContact CG-CG2 3.85Å; R274-V289 WeakPolarHBondContact O-CA 3.26Å; R274-V289 WeakPolarHBondContact O-CG1 3.41Å; R274-T290 WeakPolarHBondContact CB-OG1 3.23Å; R274-T290 PolarHBondContact N-O 3.34Å; R274-T290 PolarHBondContact NE-OG1 2.68Å; R274-T290 PolarHBondContact NH2-OG1 2.86Å; R274-T290 PolarHBondContact O-N 3.19Å; R274-T290 PolarHBondContact O-OG1 2.04Å
275	I	98.9	Very high	97.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	118.9	174	-49.5	-179.3	0	0	0	108.7	I236 P241 V242 A244 W287 V289 I314	I236-I275 HydrophobicContact CD1-CB 4.14Å; I236-I275 HydrophobicContact CD1-CG2 3.65Å; P241-I275 VanDerWaalsContact CA-O 3.23Å; P241-I275 WeakPolarHBondContact CA-O 3.14Å; P241-I275 WeakPolarHBondContact CB-O 3.46Å; V242-I275 HydrophobicContact CG2-CB 3.84Å; V242-I275 HydrophobicContact CG2-CD1 4.28Å; V242-I275 HydrophobicContact CG2-CG1 4.28Å; V242-I275 PolarHBondContact N-O 3.02Å; V242-I275 VanDerWaalsContact N-O 3.12Å; V242-I275 PolarHBondContact O-N 3.29Å; A244-I275 HydrophobicContact CB-CD1 3.63Å; A244-I275 HydrophobicContact CB-CG1 3.86Å; I275-W287 HydrophobicContact CD1-CD2 4.4Å; I275-W287 HydrophobicContact CD1-CG 4.4Å; I275-W287 HydrophobicContact CG2-CB 4.12Å; I275-W287 HydrophobicContact CG2-CD2 4.22Å; I275-W287 HydrophobicContact CG2-CE3 3.72Å; I275-W287 HydrophobicContact CG2-CG 4.44Å; I275-W287 HydrophobicContact CG2-CZ3 4.49Å; I275-V289 HydrophobicContact CG1-CG2 4.2Å; I275-I314 HydrophobicContact CD1-CD1 4.46Å; I275-I314 HydrophobicContact CD1-CG1 4.33Å
276	I	98.9	Very high	97.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-1.5	-176.8	62.2	161.5	0	0	0	113.4	A88 R89 I98 P241 R274 L288 T290	A88-I276 HydrophobicContact CB-CB 4.3Å; A88-I276 WeakPolarHBondContact CB-O 3.42Å; A88-I276 PolarHBondContact N-O 3.34Å; R89-I276 HydrophobicContact CG-CD1 4.32Å; I98-I276 HydrophobicContact CG2-CB 4.49Å; I98-I276 HydrophobicContact CG2-CG2 4.33Å; P241-I276 HydrophobicContact CB-CG2 4.06Å; P241-I276 HydrophobicContact CG-CB 4.29Å; P241-I276 HydrophobicContact CG-CG2 3.92Å; R274-I276 HydrophobicContact CG-CG2 3.85Å; I276-L288 HydrophobicContact CD1-CD2 3.85Å; I276-L288 HydrophobicContact CD1-CG 4.13Å; I276-L288 HydrophobicContact CG1-CB 4.35Å; I276-L288 HydrophobicContact CG1-CD2 3.9Å; I276-L288 HydrophobicContact CG1-CG 3.9Å; I276-L288 WeakPolarHBondContact CG1-O 3.35Å; I276-L288 PolarHBondContact N-O 3.47Å; I276-T290 HydrophobicContact CD1-CG2 3.75Å; I276-T290 HydrophobicContact CG1-CG2 4.1Å; I276-T290 HydrophobicContact CG2-CG2 3.86Å
277	G	98.8	Very high	98.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.2	-163.9	-178.8	0	0	0	0	0	113.4	F86 L288	F86-G277 CarbonylContact O-C 3.47Å; F86-G277 VanDerWaalsContact O-CA 3.23Å; F86-G277 WeakPolarHBondContact O-CA 3.11Å; G277-L288 PolarHBondContact N-O 2.53Å; G277-L288 PolarHBondContact O-N 3.47Å
278	W	98.9	Very high	98.2	Very high	3 Å²	3	27 Å²	27	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	165.8	179.7	63.9	88.6	0	0	0	110.7	L82 P83 T84 N85 F86 R233 I236 Y237 Y286 W287	L82-W278 HydrophobicContact CB-CZ2 4.36Å; P83-W278 HydrophobicContact CG-CZ2 4.25Å; P83-W278 PolarHBondContact O-NE1 3.31Å; T84-W278 PolarHBondContact O-NE1 3.46Å; N85-W278 WeakPolarHBondContact CA-O 3.2Å; F86-W278 HydrophobicContact CB-CD2 3.75Å; F86-W278 VanDerWaalsContact CB-CE2 3.47Å; F86-W278 HydrophobicContact CB-CE3 3.88Å; F86-W278 HydrophobicContact CB-CH2 3.44Å; F86-W278 VanDerWaalsContact CB-CH2 3.44Å; F86-W278 HydrophobicContact CB-CZ2 3.34Å; F86-W278 HydrophobicContact CB-CZ3 3.71Å; F86-W278 HydrophobicContact CD1-CE3 4.05Å; F86-W278 AromaticContact CD1-CH2 3.76Å; F86-W278 HydrophobicContact CD1-CH2 3.76Å; F86-W278 AromaticContact CD1-CZ3 3.48Å; F86-W278 HydrophobicContact CD1-CZ3 3.48Å; F86-W278 VanDerWaalsContact CD1-CZ3 3.48Å; F86-W278 HydrophobicContact CD2-CH2 4.05Å; F86-W278 HydrophobicContact CD2-CZ2 4.46Å; F86-W278 HydrophobicContact CE1-CZ3 4.25Å; F86-W278 HydrophobicContact CG-CE3 4.27Å; F86-W278 AromaticContact CG-CH2 3.47Å; F86-W278 HydrophobicContact CG-CH2 3.47Å; F86-W278 VanDerWaalsContact CG-CH2 3.47Å; F86-W278 AromaticContact CG-CZ2 3.9Å; F86-W278 HydrophobicContact CG-CZ2 3.9Å; F86-W278 AromaticContact CG-CZ3 3.69Å; F86-W278 HydrophobicContact CG-CZ3 3.69Å; F86-W278 PolarHBondContact N-O 2.85Å; F86-W278 PolarHBondContact O-N 2.75Å; F86-W278 VanDerWaalsContact O-O 3.06Å; R233-W278 HydrophobicContact CB-CD2 4.24Å; R233-W278 HydrophobicContact CB-CE3 4.11Å; R233-W278 HydrophobicContact CB-CH2 4.04Å; R233-W278 HydrophobicContact CB-CZ2 4.13Å; R233-W278 HydrophobicContact CB-CZ3 4.02Å; R233-W278 HydrophobicContact CG-CD2 3.66Å; R233-W278 HydrophobicContact CG-CE3 3.82Å; R233-W278 HydrophobicContact CG-CG 4.09Å; R233-W278 HydrophobicContact CG-CZ2 4.36Å; R233-W278 HydrophobicContact CG-CZ3 4.26Å; R233-W278 WeakPolarHBondContact O-CH2 3.37Å; R233-W278 WeakPolarHBondContact O-CZ3 3.23Å; I236-W278 HydrophobicContact CB-CZ3 3.9Å; I236-W278 HydrophobicContact CG2-CE3 4.38Å; I236-W278 HydrophobicContact CG2-CZ3 3.81Å; Y237-W278 HydrophobicContact CD2-CH2 4.21Å; W278-Y286 VanDerWaalsContact CA-O 3.24Å; W278-Y286 WeakPolarHBondContact CA-O 3.43Å; W278-Y286 WeakPolarHBondContact CB-O 3.28Å; W278-W287 HydrophobicContact CB-CE3 3.97Å; W278-W287 HydrophobicContact CB-CZ3 4.2Å; W278-W287 HydrophobicContact CE3-CZ3 4.31Å
279	G	98.7	Very high	98.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	-168.6	169.1	0	0	0	0	0	112.2	T84 N85 P285 Y286 R307	T84-G279 WeakPolarHBondContact O-CA 3.5Å; N85-G279 WeakPolarHBondContact OD1-CA 3.45Å; G279-P285 WeakPolarHBondContact O-CA 3.38Å; G279-Y286 VanDerWaalsContact C-CE1 3.41Å; G279-Y286 VanDerWaalsContact CA-CZ 3.48Å; G279-Y286 PolarHBondContact N-O 3.26Å; G279-Y286 PolarHBondContact O-N 3.26Å; G279-R307 PolarHBondContact O-NH2 3.48Å
280	E	98.6	Very high	98.5	Very high	93 Å²	93	25.3 Å²	25.3	44%	0.435	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	128.8	171.3	-171.5	177.7	137.2	0	0	109	T84 N85 G283 V284	T84-E280 HydrophobicContact CG2-CB 3.88Å; N85-E280 PolarHBondContact OD1-N 3.02Å; N85-E280 VanDerWaalsContact OD1-N 3.1Å; E280-G283 WeakPolarHBondContact OE1-CA 3.34Å; E280-V284 WeakPolarHBondContact CA-O 3.41Å
281	E	98.2	Very high	98.5	Very high	85 Å²	85	25.4 Å²	25.4	40%	0.397	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127.2	176.6	-177.8	177	-113.8	0	0	108.5	I259 G283 V284 Y286 R304	I259-E281 HydrophobicContact CD1-CB 4.08Å; E281-G283 PolarHBondContact O-N 2.91Å; E281-V284 PolarHBondContact N-O 3.42Å; E281-V284 VanDerWaalsContact N-O 3.08Å; E281-V284 WeakPolarHBondContact O-CB 3.48Å; E281-V284 PolarHBondContact O-N 3Å; E281-Y286 HydrophobicContact CB-CE1 4.21Å; E281-R304 IonicContact OE1-NH1 2.83Å; E281-R304 IonicContact OE2-CZ 2.92Å; E281-R304 IonicContact OE2-NH1 3.91Å; E281-R304 PolarHBondContact OE2-NH1 2.86Å; E281-R304 IonicContact OE2-NH2 2.67Å
282	N	96.2	Very high	98.4	Very high	157 Å²	157	25.6 Å²	25.6	84%	0.84	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	38.7	-179.9	-57.3	-42.4	0	0	0	114	V284	N282-V284 VanDerWaalsContact C-N 3.26Å; N282-V284 PolarHBondContact O-N 2.97Å
283	G	96.9	Very high	98.3	Very high	57 Å²	57	26.3 Å²	26.3	59%	0.588	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.5	5.3	-178.7	0	0	0	0	0	114.8	E280 E281 P285	E280-G283 WeakPolarHBondContact OE1-CA 3.34Å; E281-G283 PolarHBondContact O-N 2.91Å; G283-P285 WeakPolarHBondContact O-CD 3.44Å
284	V	98.2	Very high	98	Very high	34 Å²	34	26.7 Å²	26.7	21%	0.206	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	110.3	178.2	-173.2	0	0	0	0	109.4	T37 I259 E280 E281 N282	T37-V284 HydrophobicContact CG2-CG1 4.47Å; T37-V284 HydrophobicContact CG2-CG2 4.08Å; I259-V284 HydrophobicContact CB-CG1 4.31Å; I259-V284 HydrophobicContact CD1-CB 3.67Å; I259-V284 HydrophobicContact CD1-CG1 3.74Å; I259-V284 VanDerWaalsContact CD1-O 3.29Å; I259-V284 WeakPolarHBondContact CD1-O 3.23Å; I259-V284 HydrophobicContact CG2-CG1 3.88Å; E280-V284 WeakPolarHBondContact CA-O 3.41Å; E281-V284 PolarHBondContact N-O 3.42Å; E281-V284 VanDerWaalsContact N-O 3.08Å; E281-V284 WeakPolarHBondContact O-CB 3.48Å; E281-V284 PolarHBondContact O-N 3Å; N282-V284 VanDerWaalsContact C-N 3.26Å; N282-V284 PolarHBondContact O-N 2.97Å
285	P	98.7	Very high	97.8	Very high	33 Å²	33	32.5 Å²	32.5	21%	0.214	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	141.9	175	28.2	-34	0	0	0	111	G279 G283 R307	G279-P285 WeakPolarHBondContact O-CA 3.38Å; G283-P285 WeakPolarHBondContact O-CD 3.44Å; P285-R307 HydrophobicContact CB-CB 4.29Å; P285-R307 WeakPolarHBondContact CG-O 3.28Å; P285-R307 PolarHBondContact O-N 3.17Å
286	Y	98.9	Very high	97.6	Very high	37 Å²	37	36.8 Å²	36.8	15%	0.145	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.1	178.5	66.2	-94.7	0	0	0	113.2	I259 W278 G279 E281 L288 R304 I305 R307	I259-Y286 HydrophobicContact CD1-CD1 3.64Å; I259-Y286 HydrophobicContact CD1-CG 4.25Å; I259-Y286 HydrophobicContact CG1-CD1 3.92Å; I259-Y286 HydrophobicContact CG1-CG 4.14Å; W278-Y286 VanDerWaalsContact CA-O 3.24Å; W278-Y286 WeakPolarHBondContact CA-O 3.43Å; W278-Y286 WeakPolarHBondContact CB-O 3.28Å; G279-Y286 VanDerWaalsContact C-CE1 3.41Å; G279-Y286 VanDerWaalsContact CA-CZ 3.48Å; G279-Y286 PolarHBondContact N-O 3.26Å; G279-Y286 PolarHBondContact O-N 3.26Å; E281-Y286 HydrophobicContact CB-CE1 4.21Å; Y286-L288 HydrophobicContact CE2-CB 4.34Å; Y286-L288 HydrophobicContact CE2-CD1 4.47Å; Y286-R304 HydrophobicContact CD2-CB 3.71Å; Y286-R304 HydrophobicContact CD2-CG 3.62Å; Y286-R304 HydrophobicContact CE2-CB 4.36Å; Y286-R304 VanDerWaalsContact CE2-CD 3.46Å; Y286-R304 HydrophobicContact CE2-CG 3.77Å; Y286-R304 HydrophobicContact CG-CB 3.98Å; Y286-R304 HydrophobicContact CG-CG 4.29Å; Y286-I305 CarbonylContact C-O 3.59Å; Y286-I305 WeakPolarHBondContact CA-O 3.27Å; Y286-I305 WeakPolarHBondContact CB-O 3.32Å; Y286-R307 PolarHBondContact O-NE 2.9Å
287	W	98.9	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.6	161.1	-65.6	115.7	0	0	0	109.5	E229 I232 R233 I236 I275 W278 V289 R304 I305 R307 E315	E229-W287 HydrophobicContact CG-CH2 4.26Å; E229-W287 HydrophobicContact CG-CZ2 3.84Å; I232-W287 HydrophobicContact CB-CH2 3.74Å; I232-W287 HydrophobicContact CB-CZ2 4.17Å; I232-W287 HydrophobicContact CD1-CZ2 4.47Å; I232-W287 HydrophobicContact CG2-CH2 3.46Å; I232-W287 VanDerWaalsContact CG2-CH2 3.46Å; I232-W287 HydrophobicContact CG2-CZ2 3.96Å; I232-W287 HydrophobicContact CG2-CZ3 3.91Å; R233-W287 HydrophobicContact CB-CH2 4.44Å; R233-W287 HydrophobicContact CG-CH2 3.46Å; R233-W287 VanDerWaalsContact CG-CH2 3.46Å; R233-W287 HydrophobicContact CG-CZ3 3.55Å; I236-W287 HydrophobicContact CD1-CE3 4.36Å; I236-W287 HydrophobicContact CD1-CZ3 3.92Å; I275-W287 HydrophobicContact CD1-CD2 4.4Å; I275-W287 HydrophobicContact CD1-CG 4.4Å; I275-W287 HydrophobicContact CG2-CB 4.12Å; I275-W287 HydrophobicContact CG2-CD2 4.22Å; I275-W287 HydrophobicContact CG2-CE3 3.72Å; I275-W287 HydrophobicContact CG2-CG 4.44Å; I275-W287 HydrophobicContact CG2-CZ3 4.49Å; W278-W287 HydrophobicContact CB-CE3 3.97Å; W278-W287 HydrophobicContact CB-CZ3 4.2Å; W278-W287 HydrophobicContact CE3-CZ3 4.31Å; W287-V289 HydrophobicContact CB-CG2 3.85Å; W287-R304 VanDerWaalsContact O-CA 3.29Å; W287-R304 WeakPolarHBondContact O-CA 3.14Å; W287-I305 HydrophobicContact CB-CG2 3.96Å; W287-I305 PolarHBondContact N-O 3Å; W287-I305 PolarHBondContact O-N 3.12Å; W287-R307 HydrophobicContact CD2-CB 4.09Å; W287-R307 HydrophobicContact CD2-CG 3.9Å; W287-R307 VanDerWaalsContact CE2-CD 3.47Å; W287-R307 HydrophobicContact CE3-CG 4.5Å; W287-R307 HydrophobicContact CG-CB 3.98Å; W287-R307 HydrophobicContact CG-CG 4.32Å; W287-R307 HydrophobicContact CH2-CG 4.25Å; W287-R307 VanDerWaalsContact CZ2-CD 3.49Å; W287-R307 HydrophobicContact CZ2-CG 3.59Å; W287-E315 HydrophobicContact CZ2-CG 4.37Å; W287-E315 PolarHBondContact NE1-OE1 3.1Å
288	L	98.9	Very high	97.4	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.089	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.7	173.3	-175.1	68.4	0	0	0	108.7	D87 I276 G277 Y286 I302 R304	D87-L288 HydrophobicContact CB-CD2 4.45Å; I276-L288 HydrophobicContact CD1-CD2 3.85Å; I276-L288 HydrophobicContact CD1-CG 4.13Å; I276-L288 HydrophobicContact CG1-CB 4.35Å; I276-L288 HydrophobicContact CG1-CD2 3.9Å; I276-L288 HydrophobicContact CG1-CG 3.9Å; I276-L288 WeakPolarHBondContact CG1-O 3.35Å; I276-L288 PolarHBondContact N-O 3.47Å; G277-L288 PolarHBondContact N-O 2.53Å; G277-L288 PolarHBondContact O-N 3.47Å; Y286-L288 HydrophobicContact CE2-CB 4.34Å; Y286-L288 HydrophobicContact CE2-CD1 4.47Å; L288-I302 HydrophobicContact CD1-CG2 3.51Å; L288-I302 HydrophobicContact CG-CG2 4.21Å; L288-R304 HydrophobicContact CD1-CG 4.02Å
289	V	98.9	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.9	-165.1	-169.8	0	0	0	0	111	V273 R274 I275 W287 I302 F303 I305 I314	V273-V289 HydrophobicContact CB-CG1 3.57Å; V273-V289 HydrophobicContact CG1-CG1 4.33Å; V273-V289 HydrophobicContact CG2-CG1 3.5Å; R274-V289 WeakPolarHBondContact O-CA 3.26Å; R274-V289 WeakPolarHBondContact O-CG1 3.41Å; I275-V289 HydrophobicContact CG1-CG2 4.2Å; W287-V289 HydrophobicContact CB-CG2 3.85Å; V289-I302 CarbonylContact O-C 3.48Å; V289-I302 VanDerWaalsContact O-CA 3.29Å; V289-I302 WeakPolarHBondContact O-CA 3.23Å; V289-I302 WeakPolarHBondContact O-CG2 3.19Å; V289-F303 HydrophobicContact CB-CD1 4.02Å; V289-F303 HydrophobicContact CB-CD2 4.33Å; V289-F303 HydrophobicContact CB-CE1 3.66Å; V289-F303 HydrophobicContact CB-CE2 4Å; V289-F303 HydrophobicContact CB-CG 4.36Å; V289-F303 HydrophobicContact CB-CZ 3.66Å; V289-F303 HydrophobicContact CG1-CD1 4.22Å; V289-F303 HydrophobicContact CG1-CE1 3.4Å; V289-F303 VanDerWaalsContact CG1-CE1 3.4Å; V289-F303 HydrophobicContact CG1-CE2 4.22Å; V289-F303 HydrophobicContact CG1-CZ 3.42Å; V289-F303 VanDerWaalsContact CG1-CZ 3.42Å; V289-F303 HydrophobicContact CG2-CE2 4.17Å; V289-F303 HydrophobicContact CG2-CZ 4.19Å; V289-F303 PolarHBondContact N-O 3.4Å; V289-F303 PolarHBondContact O-N 2.74Å; V289-I305 HydrophobicContact CG2-CG2 3.85Å; V289-I314 HydrophobicContact CG2-CD1 4.13Å
290	T	98.7	Very high	97.3	Very high	5 Å²	5	47 Å²	47	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	126.7	171.3	63.9	0	0	0	0	109.1	I101 R274 I276 I302	I101-T290 HydrophobicContact CD1-CG2 3.84Å; R274-T290 WeakPolarHBondContact CB-OG1 3.23Å; R274-T290 PolarHBondContact N-O 3.34Å; R274-T290 PolarHBondContact NE-OG1 2.68Å; R274-T290 PolarHBondContact NH2-OG1 2.86Å; R274-T290 PolarHBondContact O-N 3.19Å; R274-T290 PolarHBondContact O-OG1 2.04Å; I276-T290 HydrophobicContact CD1-CG2 3.75Å; I276-T290 HydrophobicContact CG1-CG2 4.1Å; I276-T290 HydrophobicContact CG2-CG2 3.86Å; T290-I302 HydrophobicContact CG2-CD1 4.48Å; T290-I302 HydrophobicContact CG2-CG1 4.2Å
291	N	98.1	Very high	97.3	Very high	6 Å²	6	42.5 Å²	42.5	3%	0.032	24%	0.237	C	C	.	.			trans	-89	-180	172.2	-153.4	-18.7	0	0	0	110.6	H271 W293 F297 G301 F303	H271-N291 PolarHBondContact NE2-OD1 3.4Å; N291-W293 VanDerWaalsContact ND2-CD2 3.31Å; N291-W293 WeakPolarHBondContact ND2-CZ3 3.32Å; N291-F297 HydrophobicContact CB-CD1 3.92Å; N291-F297 HydrophobicContact CB-CE1 3.99Å; N291-F297 WeakPolarHBondContact ND2-CE1 3.41Å; N291-G301 WeakPolarHBondContact CB-O 2.96Å; N291-G301 PolarHBondContact N-O 3.11Å; N291-F303 HydrophobicContact CB-CD1 4.21Å; N291-F303 HydrophobicContact CB-CE1 4.25Å
292	S	97.4	Very high	97.3	Very high	4 Å²	4	39 Å²	39	3%	0.028	22%	0.221	C	C	.	.	S	Bend	trans	-124.9	25.9	178.5	47	0	0	0	0	113	R102 D103 Q104	R102-S292 CarbonylContact O-C 3.54Å; R102-S292 VanDerWaalsContact O-CA 3.31Å; R102-S292 WeakPolarHBondContact O-CA 3.1Å; D103-S292 WeakPolarHBondContact CA-O 3.25Å; Q104-S292 WeakPolarHBondContact CG-O 3.02Å; Q104-S292 PolarHBondContact N-O 3.47Å; Q104-S292 PolarHBondContact OE1-OG 3.31Å
293	W	95.5	Very high	97.4	Very high	16 Å²	16	31.6 Å²	31.6	6%	0.061	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-104.2	26.8	178.4	-56.4	-26.8	0	0	0	112.8	F46 L58 F252 H271 N291 F297	F46-W293 HydrophobicContact CE1-CD2 4.31Å; F46-W293 HydrophobicContact CE1-CE3 4.18Å; F46-W293 HydrophobicContact CE2-CE3 4.11Å; F46-W293 HydrophobicContact CE2-CZ3 4.14Å; F46-W293 AromaticContact CZ-CD2 3.89Å; F46-W293 HydrophobicContact CZ-CD2 3.89Å; F46-W293 AromaticContact CZ-CE3 3.33Å; F46-W293 HydrophobicContact CZ-CE3 3.33Å; F46-W293 HydrophobicContact CZ-CH2 4.14Å; F46-W293 AromaticContact CZ-CZ3 3.48Å; F46-W293 HydrophobicContact CZ-CZ3 3.48Å; F46-W293 VanDerWaalsContact CZ-CZ3 3.48Å; L58-W293 HydrophobicContact CD2-CH2 4.48Å; L58-W293 HydrophobicContact CD2-CZ2 3.86Å; F252-W293 AromaticContact CD1-CH2 3.82Å; F252-W293 HydrophobicContact CD1-CH2 3.82Å; F252-W293 AromaticContact CD1-CZ3 3.89Å; F252-W293 HydrophobicContact CD1-CZ3 3.89Å; F252-W293 AromaticContact CE1-CH2 3.55Å; F252-W293 HydrophobicContact CE1-CH2 3.55Å; F252-W293 AromaticContact CE1-CZ3 3.46Å; F252-W293 HydrophobicContact CE1-CZ3 3.46Å; F252-W293 VanDerWaalsContact CE1-CZ3 3.46Å; F252-W293 HydrophobicContact CZ-CZ3 4.48Å; H271-W293 AromaticContact CD2-CZ2 3.46Å; H271-W293 VanDerWaalsContact CD2-CZ2 3.46Å; H271-W293 WeakPolarHBondContact CD2-CZ2 3.13Å; H271-W293 AromaticContact CE1-CE2 3.84Å; H271-W293 AromaticContact CE1-CZ2 3.9Å; H271-W293 AromaticContact CE1-NE1 3.46Å; H271-W293 PolarHBondContact CE1-NE1 2.79Å; H271-W293 AromaticContact CG-CZ2 3.99Å; H271-W293 AromaticContact NE2-CE2 3.46Å; H271-W293 AromaticContact NE2-CZ2 3.42Å; H271-W293 WeakPolarHBondContact NE2-CZ2 3.36Å; H271-W293 AromaticContact NE2-NE1 3.49Å; H271-W293 PolarHBondContact NE2-NE1 2.03Å; N291-W293 VanDerWaalsContact ND2-CD2 3.31Å; N291-W293 WeakPolarHBondContact ND2-CZ3 3.32Å; W293-F297 HydrophobicContact CB-CB 4.24Å; W293-F297 HydrophobicContact CB-CG 4.46Å; W293-F297 HydrophobicContact CE3-CD1 4.41Å; W293-F297 AromaticContact CE3-CD2 3.47Å; W293-F297 HydrophobicContact CE3-CD2 3.47Å; W293-F297 VanDerWaalsContact CE3-CD2 3.47Å; W293-F297 HydrophobicContact CE3-CE1 4.38Å; W293-F297 AromaticContact CE3-CE2 3.45Å; W293-F297 HydrophobicContact CE3-CE2 3.45Å; W293-F297 VanDerWaalsContact CE3-CE2 3.45Å; W293-F297 AromaticContact CE3-CG 3.99Å; W293-F297 HydrophobicContact CE3-CG 3.99Å; W293-F297 AromaticContact CE3-CZ 3.93Å; W293-F297 HydrophobicContact CE3-CZ 3.93Å; W293-F297 HydrophobicContact CZ3-CD2 4Å; W293-F297 AromaticContact CZ3-CE2 3.47Å; W293-F297 HydrophobicContact CZ3-CE2 3.47Å; W293-F297 VanDerWaalsContact CZ3-CE2 3.47Å; W293-F297 AromaticContact CZ3-CZ 3.81Å; W293-F297 HydrophobicContact CZ3-CZ 3.81Å
294	G	92.7	Very high	97.5	Very high	9 Å²	9	30 Å²	30	9%	0.093	16%	0.157	C	C	.	.			trans	75.4	174.6	-177.6	0	0	0	0	0	114.2	T296 G301	G294-T296 VanDerWaalsContact C-N 3.33Å; G294-T296 PolarHBondContact O-N 3.1Å; G294-G301 VanDerWaalsContact O-CA 3.3Å; G294-G301 WeakPolarHBondContact O-CA 3.46Å
295	Q	95.2	Very high	97.6	Very high	126 Å²	126	28.4 Å²	28.4	59%	0.589	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-12	-173.1	-68.9	179.2	58.2	0	0	114	I101 H300 G301	I101-Q295 HydrophobicContact CB-CG 3.91Å; I101-Q295 HydrophobicContact CG1-CG 4.19Å; I101-Q295 HydrophobicContact CG2-CG 4.21Å; Q295-H300 CarbonylContact O-C 3.45Å; Q295-H300 VanDerWaalsContact O-CA 3.26Å; Q295-H300 WeakPolarHBondContact O-CA 3.49Å; Q295-G301 PolarHBondContact O-N 3.41Å
296	T	94	Very high	97.6	Very high	90 Å²	90	30.4 Å²	30.4	55%	0.552	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.5	177	55.5	0	0	0	0	112.4	G294	G294-T296 VanDerWaalsContact C-N 3.33Å; G294-T296 PolarHBondContact O-N 3.1Å
297	F	96.3	Very high	97.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-74.8	130.7	174.9	174	-94.9	0	0	0	111.5	N43 A45 F46 F252 Y255 N291 W293 E299 G301 F303	N43-F297 WeakPolarHBondContact ND2-CD2 3.48Å; N43-F297 WeakPolarHBondContact ND2-CE2 3.39Å; A45-F297 HydrophobicContact CB-CB 4.01Å; F46-F297 HydrophobicContact CE2-CD2 4.06Å; F46-F297 HydrophobicContact CE2-CE2 4.15Å; F46-F297 HydrophobicContact CZ-CD2 4.39Å; F252-F297 HydrophobicContact CE1-CE2 4.47Å; F252-F297 AromaticContact CE1-CZ 3.89Å; F252-F297 HydrophobicContact CE1-CZ 3.89Å; F252-F297 HydrophobicContact CE2-CZ 4.32Å; F252-F297 HydrophobicContact CZ-CE1 4.37Å; F252-F297 AromaticContact CZ-CZ 3.67Å; F252-F297 HydrophobicContact CZ-CZ 3.67Å; Y255-F297 HydrophobicContact CD1-CE1 4.34Å; Y255-F297 HydrophobicContact CD1-CZ 4.08Å; N291-F297 HydrophobicContact CB-CD1 3.92Å; N291-F297 HydrophobicContact CB-CE1 3.99Å; N291-F297 WeakPolarHBondContact ND2-CE1 3.41Å; W293-F297 HydrophobicContact CB-CB 4.24Å; W293-F297 HydrophobicContact CB-CG 4.46Å; W293-F297 HydrophobicContact CE3-CD1 4.41Å; W293-F297 AromaticContact CE3-CD2 3.47Å; W293-F297 HydrophobicContact CE3-CD2 3.47Å; W293-F297 VanDerWaalsContact CE3-CD2 3.47Å; W293-F297 HydrophobicContact CE3-CE1 4.38Å; W293-F297 AromaticContact CE3-CE2 3.45Å; W293-F297 HydrophobicContact CE3-CE2 3.45Å; W293-F297 VanDerWaalsContact CE3-CE2 3.45Å; W293-F297 AromaticContact CE3-CG 3.99Å; W293-F297 HydrophobicContact CE3-CG 3.99Å; W293-F297 AromaticContact CE3-CZ 3.93Å; W293-F297 HydrophobicContact CE3-CZ 3.93Å; W293-F297 HydrophobicContact CZ3-CD2 4Å; W293-F297 AromaticContact CZ3-CE2 3.47Å; W293-F297 HydrophobicContact CZ3-CE2 3.47Å; W293-F297 VanDerWaalsContact CZ3-CE2 3.47Å; W293-F297 AromaticContact CZ3-CZ 3.81Å; W293-F297 HydrophobicContact CZ3-CZ 3.81Å; F297-E299 PolarHBondContact O-N 2.94Å; F297-G301 VanDerWaalsContact O-CA 3.26Å; F297-G301 WeakPolarHBondContact O-CA 3.38Å; F297-G301 PolarHBondContact O-N 3.09Å; F297-F303 HydrophobicContact CE1-CB 4.09Å; F297-F303 AromaticContact CE1-CD1 4Å; F297-F303 HydrophobicContact CE1-CD1 4Å; F297-F303 HydrophobicContact CE1-CG 4.4Å
298	G	97.8	Very high	97.5	Very high	19 Å²	19	31.3 Å²	31.3	20%	0.196	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	-134.8	167.6	0	0	0	0	0	114.1	N43 I256 H300	N43-G298 PolarHBondContact ND2-N 2.79Å; I256-G298 CarbonylContact O-C 3.47Å; I256-G298 WeakPolarHBondContact O-CA 3.47Å; G298-H300 PolarHBondContact O-N 2.74Å
299	E	98.2	Very high	97.4	Very high	52 Å²	52	33.1 Å²	33.1	24%	0.243	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	68.8	-179.3	-62.5	173.7	126.5	0	0	110.1	Y255 G258 F297 I302 R304	Y255-E299 PolarHBondContact OH-OE2 2.83Å; G258-E299 PolarHBondContact N-OE1 3.37Å; F297-E299 PolarHBondContact O-N 2.94Å; E299-I302 PolarHBondContact N-O 2.69Å; E299-I302 WeakPolarHBondContact O-CB 3.47Å; E299-I302 PolarHBondContact O-N 3.47Å; E299-R304 IonicContact OE1-CZ 3.75Å; E299-R304 IonicContact OE1-NE 2.73Å; E299-R304 PolarHBondContact OE1-NE 3.49Å; E299-R304 IonicContact OE1-NH2 3.83Å; E299-R304 PolarHBondContact OE1-NH2 2.89Å; E299-R304 IonicContact OE2-CZ 3.61Å; E299-R304 IonicContact OE2-NE 3.65Å; E299-R304 PolarHBondContact OE2-NE 2.03Å; E299-R304 IonicContact OE2-NH2 2.68Å
300	H	97.4	Very high	97.4	Very high	146 Å²	146	35.2 Å²	35.2	68%	0.676	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	47.4	-176.5	-58.9	-72.5	0	0	0	114.2	I101 Q295 G298 I302	I101-H300 WeakPolarHBondContact CG1-O 3.17Å; Q295-H300 CarbonylContact O-C 3.45Å; Q295-H300 VanDerWaalsContact O-CA 3.26Å; Q295-H300 WeakPolarHBondContact O-CA 3.49Å; G298-H300 PolarHBondContact O-N 2.74Å; H300-I302 VanDerWaalsContact C-N 3.28Å
301	G	98	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	82.8	3.6	-176.7	0	0	0	0	0	114.4	N291 G294 Q295 F297	N291-G301 WeakPolarHBondContact CB-O 2.96Å; N291-G301 PolarHBondContact N-O 3.11Å; G294-G301 VanDerWaalsContact O-CA 3.3Å; G294-G301 WeakPolarHBondContact O-CA 3.46Å; Q295-G301 PolarHBondContact O-N 3.41Å; F297-G301 VanDerWaalsContact O-CA 3.26Å; F297-G301 WeakPolarHBondContact O-CA 3.38Å; F297-G301 PolarHBondContact O-N 3.09Å
302	I	98.7	Very high	97.4	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.062	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.1	179.6	-60.6	178.5	0	0	0	109.1	R89 I101 L288 V289 T290 E299 H300	R89-I302 VanDerWaalsContact NH1-CD1 3.31Å; I101-I302 HydrophobicContact CD1-CD1 4.46Å; I101-I302 HydrophobicContact CD1-CG1 3.89Å; L288-I302 HydrophobicContact CD1-CG2 3.51Å; L288-I302 HydrophobicContact CG-CG2 4.21Å; V289-I302 CarbonylContact O-C 3.48Å; V289-I302 VanDerWaalsContact O-CA 3.29Å; V289-I302 WeakPolarHBondContact O-CA 3.23Å; V289-I302 WeakPolarHBondContact O-CG2 3.19Å; T290-I302 HydrophobicContact CG2-CD1 4.48Å; T290-I302 HydrophobicContact CG2-CG1 4.2Å; E299-I302 PolarHBondContact N-O 2.69Å; E299-I302 WeakPolarHBondContact O-CB 3.47Å; E299-I302 PolarHBondContact O-N 3.47Å; H300-I302 VanDerWaalsContact C-N 3.28Å
303	F	98.8	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	157.4	163.1	67.3	-79.3	0	0	0	110.5	F246 F252 Y255 V273 V289 N291 F297 I305	F246-F303 HydrophobicContact CE1-CZ 4.11Å; F246-F303 AromaticContact CZ-CZ 3.99Å; F246-F303 HydrophobicContact CZ-CZ 3.99Å; F252-F303 HydrophobicContact CE2-CB 4.43Å; F252-F303 AromaticContact CE2-CD2 3.68Å; F252-F303 HydrophobicContact CE2-CD2 3.68Å; F252-F303 AromaticContact CE2-CE2 3.93Å; F252-F303 HydrophobicContact CE2-CE2 3.93Å; F252-F303 AromaticContact CE2-CG 3.98Å; F252-F303 HydrophobicContact CE2-CG 3.98Å; F252-F303 HydrophobicContact CE2-CZ 4.45Å; F252-F303 HydrophobicContact CZ-CB 4.5Å; F252-F303 AromaticContact CZ-CD1 3.9Å; F252-F303 HydrophobicContact CZ-CD1 3.9Å; F252-F303 AromaticContact CZ-CD2 3.8Å; F252-F303 HydrophobicContact CZ-CD2 3.8Å; F252-F303 AromaticContact CZ-CE1 3.93Å; F252-F303 HydrophobicContact CZ-CE1 3.93Å; F252-F303 AromaticContact CZ-CE2 3.83Å; F252-F303 HydrophobicContact CZ-CE2 3.83Å; F252-F303 AromaticContact CZ-CG 3.81Å; F252-F303 HydrophobicContact CZ-CG 3.81Å; F252-F303 AromaticContact CZ-CZ 3.88Å; F252-F303 HydrophobicContact CZ-CZ 3.88Å; Y255-F303 HydrophobicContact CD1-CB 3.84Å; Y255-F303 HydrophobicContact CE1-CB 3.38Å; Y255-F303 HydrophobicContact CE2-CB 4.29Å; Y255-F303 HydrophobicContact CG-CB 4.47Å; V273-F303 HydrophobicContact CG1-CE1 4.1Å; V273-F303 HydrophobicContact CG1-CZ 4.31Å; V273-F303 HydrophobicContact CG2-CZ 4.34Å; V289-F303 HydrophobicContact CB-CD1 4.02Å; V289-F303 HydrophobicContact CB-CD2 4.33Å; V289-F303 HydrophobicContact CB-CE1 3.66Å; V289-F303 HydrophobicContact CB-CE2 4Å; V289-F303 HydrophobicContact CB-CG 4.36Å; V289-F303 HydrophobicContact CB-CZ 3.66Å; V289-F303 HydrophobicContact CG1-CD1 4.22Å; V289-F303 HydrophobicContact CG1-CE1 3.4Å; V289-F303 VanDerWaalsContact CG1-CE1 3.4Å; V289-F303 HydrophobicContact CG1-CE2 4.22Å; V289-F303 HydrophobicContact CG1-CZ 3.42Å; V289-F303 VanDerWaalsContact CG1-CZ 3.42Å; V289-F303 HydrophobicContact CG2-CE2 4.17Å; V289-F303 HydrophobicContact CG2-CZ 4.19Å; V289-F303 PolarHBondContact N-O 3.4Å; V289-F303 PolarHBondContact O-N 2.74Å; N291-F303 HydrophobicContact CB-CD1 4.21Å; N291-F303 HydrophobicContact CB-CE1 4.25Å; F297-F303 HydrophobicContact CE1-CB 4.09Å; F297-F303 AromaticContact CE1-CD1 4Å; F297-F303 HydrophobicContact CE1-CD1 4Å; F297-F303 HydrophobicContact CE1-CG 4.4Å; F303-I305 HydrophobicContact CD2-CB 4.02Å; F303-I305 HydrophobicContact CD2-CG2 4.23Å; F303-I305 HydrophobicContact CE2-CB 3.88Å; F303-I305 HydrophobicContact CE2-CD1 4.4Å; F303-I305 HydrophobicContact CE2-CG2 3.78Å
304	R	98.9	Very high	97.5	Very high	24 Å²	24	40.4 Å²	40.4	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134	170.3	-60.5	176.1	-74.2	148.5	-10.2	107.8	Y255 G258 I259 Y260 E281 Y286 W287 L288 E299	Y255-R304 PolarHBondContact OH-N 2.75Å; Y255-R304 VanDerWaalsContact OH-N 3.11Å; G258-R304 VanDerWaalsContact CA-NH2 3.31Å; G258-R304 WeakPolarHBondContact O-CB 3.31Å; I259-R304 CarbonylContact C-O 3.56Å; I259-R304 HydrophobicContact CG1-CB 4.34Å; Y260-R304 WeakPolarHBondContact CB-O 3.5Å; Y260-R304 PolarHBondContact N-O 3.43Å; E281-R304 IonicContact OE1-NH1 2.83Å; E281-R304 IonicContact OE2-CZ 2.92Å; E281-R304 IonicContact OE2-NH1 3.91Å; E281-R304 PolarHBondContact OE2-NH1 2.86Å; E281-R304 IonicContact OE2-NH2 2.67Å; Y286-R304 HydrophobicContact CD2-CB 3.71Å; Y286-R304 HydrophobicContact CD2-CG 3.62Å; Y286-R304 HydrophobicContact CE2-CB 4.36Å; Y286-R304 VanDerWaalsContact CE2-CD 3.46Å; Y286-R304 HydrophobicContact CE2-CG 3.77Å; Y286-R304 HydrophobicContact CG-CB 3.98Å; Y286-R304 HydrophobicContact CG-CG 4.29Å; W287-R304 VanDerWaalsContact O-CA 3.29Å; W287-R304 WeakPolarHBondContact O-CA 3.14Å; L288-R304 HydrophobicContact CD1-CG 4.02Å; E299-R304 IonicContact OE1-CZ 3.75Å; E299-R304 IonicContact OE1-NE 2.73Å; E299-R304 PolarHBondContact OE1-NE 3.49Å; E299-R304 IonicContact OE1-NH2 3.83Å; E299-R304 PolarHBondContact OE1-NH2 2.89Å; E299-R304 IonicContact OE2-CZ 3.61Å; E299-R304 IonicContact OE2-NE 3.65Å; E299-R304 PolarHBondContact OE2-NE 2.03Å; E299-R304 IonicContact OE2-NH2 2.68Å
305	I	98.9	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.1	-178.6	-179.1	169.8	0	0	0	109.5	F246 Y260 Y286 W287 V289 F303 R307 E311 C312 I314	F246-I305 HydrophobicContact CD2-CD1 4.44Å; Y260-I305 HydrophobicContact CD1-CD1 3.88Å; Y260-I305 HydrophobicContact CD1-CG1 3.98Å; Y260-I305 HydrophobicContact CE1-CD1 4.4Å; Y286-I305 CarbonylContact C-O 3.59Å; Y286-I305 WeakPolarHBondContact CA-O 3.27Å; Y286-I305 WeakPolarHBondContact CB-O 3.32Å; W287-I305 HydrophobicContact CB-CG2 3.96Å; W287-I305 PolarHBondContact N-O 3Å; W287-I305 PolarHBondContact O-N 3.12Å; V289-I305 HydrophobicContact CG2-CG2 3.85Å; F303-I305 HydrophobicContact CD2-CB 4.02Å; F303-I305 HydrophobicContact CD2-CG2 4.23Å; F303-I305 HydrophobicContact CE2-CB 3.88Å; F303-I305 HydrophobicContact CE2-CD1 4.4Å; F303-I305 HydrophobicContact CE2-CG2 3.78Å; I305-R307 PolarHBondContact O-N 2.64Å; I305-E311 HydrophobicContact CD1-CB 4.22Å; I305-E311 HydrophobicContact CD1-CG 4.01Å; I305-E311 HydrophobicContact CG1-CB 3.98Å; I305-E311 HydrophobicContact CG1-CG 3.78Å; I305-C312 HydrophobicContact CD1-CB 4.31Å; I305-I314 HydrophobicContact CD1-CB 4.43Å; I305-I314 HydrophobicContact CD1-CD1 4.17Å; I305-I314 HydrophobicContact CD1-CG2 4.34Å; I305-I314 HydrophobicContact CG2-CD1 3.49Å; I305-I314 VanDerWaalsContact CG2-CD1 3.49Å
306	K	98.7	Very high	97.7	Very high	76 Å²	76	36.6 Å²	36.6	33%	0.33	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	127.3	-175.6	-175	177.3	175.5	-175.1	0	111.7	I259 Y260 T261 S309 E311	I259-K306 HydrophobicContact CG2-CB 4.22Å; Y260-K306 PolarHBondContact O-N 3.36Å; T261-K306 HydrophobicContact CG2-CB 3.72Å; T261-K306 HydrophobicContact CG2-CD 3.6Å; T261-K306 HydrophobicContact CG2-CG 4.28Å; K306-S309 WeakPolarHBondContact CD-OG 3.44Å; K306-S309 WeakPolarHBondContact CE-OG 3.2Å; K306-E311 HydrophobicContact CB-CB 4.07Å; K306-E311 HydrophobicContact CB-CG 4.11Å; K306-E311 VanDerWaalsContact O-CB 3.3Å; K306-E311 WeakPolarHBondContact O-CB 3.49Å
307	R	98.6	Very high	97.8	Very high	15 Å²	15	34.1 Å²	34.1	6%	0.057	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	149	-179.9	169.1	171.1	60.3	77.3	1	110.9	E229 G279 P285 Y286 W287 I305 S309	E229-R307 HydrophobicContact CG-CG 3.57Å; E229-R307 IonicContact OE1-CZ 3.1Å; E229-R307 IonicContact OE1-NH1 2.69Å; E229-R307 PolarHBondContact OE1-NH1 3.37Å; E229-R307 IonicContact OE2-NH1 2.66Å; G279-R307 PolarHBondContact O-NH2 3.48Å; P285-R307 HydrophobicContact CB-CB 4.29Å; P285-R307 WeakPolarHBondContact CG-O 3.28Å; P285-R307 PolarHBondContact O-N 3.17Å; Y286-R307 PolarHBondContact O-NE 2.9Å; W287-R307 HydrophobicContact CD2-CB 4.09Å; W287-R307 HydrophobicContact CD2-CG 3.9Å; W287-R307 VanDerWaalsContact CE2-CD 3.47Å; W287-R307 HydrophobicContact CE3-CG 4.5Å; W287-R307 HydrophobicContact CG-CB 3.98Å; W287-R307 HydrophobicContact CG-CG 4.32Å; W287-R307 HydrophobicContact CH2-CG 4.25Å; W287-R307 VanDerWaalsContact CZ2-CD 3.49Å; W287-R307 HydrophobicContact CZ2-CG 3.59Å; I305-R307 PolarHBondContact O-N 2.64Å; R307-S309 VanDerWaalsContact C-N 3.32Å; R307-S309 PolarHBondContact O-N 2.99Å
308	G	97.7	Very high	97.9	Very high	41 Å²	41	34.1 Å²	34.1	42%	0.423	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-6.1	172.7	0	0	0	0	0	114.6	E229 E315	E229-G308 WeakPolarHBondContact OE2-CA 3.39Å; G308-E315 PolarHBondContact N-OE1 3.01Å
309	S	97.7	Very high	97.9	Very high	54 Å²	54	33.4 Å²	33.4	38%	0.378	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	11	175.4	59.8	0	0	0	0	113.5	K306 R307 E311	K306-S309 WeakPolarHBondContact CD-OG 3.44Å; K306-S309 WeakPolarHBondContact CE-OG 3.2Å; R307-S309 VanDerWaalsContact C-N 3.32Å; R307-S309 PolarHBondContact O-N 2.99Å; S309-E311 PolarHBondContact O-N 3.34Å
310	N	97.8	Very high	97.9	Very high	45 Å²	45	30.9 Å²	30.9	24%	0.241	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	42.8	-173.3	-168.3	28	0	0	0	112.2	C312 F313 E315 T316	N310-C312 PolarHBondContact O-N 3.15Å; N310-F313 WeakPolarHBondContact O-CA 3.07Å; N310-F313 PolarHBondContact O-N 3.31Å; N310-F313 VanDerWaalsContact OD1-CA 3.26Å; N310-F313 WeakPolarHBondContact OD1-CA 3.42Å; N310-F313 PolarHBondContact OD1-O 3.2Å; N310-E315 WeakPolarHBondContact CA-OE2 3.44Å; N310-E315 HydrophobicContact CB-CB 4.23Å; N310-E315 PolarHBondContact N-OE2 3.16Å; N310-E315 WeakPolarHBondContact OD1-CA 3.27Å; N310-E315 WeakPolarHBondContact OD1-CB 3.49Å; N310-E315 PolarHBondContact OD1-N 2.91Å; N310-T316 PolarHBondContact ND2-OG1 3.44Å; N310-T316 PolarHBondContact OD1-N 3.17Å; N310-T316 PolarHBondContact OD1-OG1 3.43Å
311	E	98.4	Very high	97.9	Very high	31 Å²	31	24 Å²	24	15%	0.145	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-54	126.9	-176.7	-172.8	65.1	-158.6	0	0	110.2	T261 Y262 I305 K306 S309 F313 I314	T261-E311 WeakPolarHBondContact CA-OE1 3.49Å; Y262-E311 PolarHBondContact N-OE1 2.72Å; I305-E311 HydrophobicContact CD1-CB 4.22Å; I305-E311 HydrophobicContact CD1-CG 4.01Å; I305-E311 HydrophobicContact CG1-CB 3.98Å; I305-E311 HydrophobicContact CG1-CG 3.78Å; K306-E311 HydrophobicContact CB-CB 4.07Å; K306-E311 HydrophobicContact CB-CG 4.11Å; K306-E311 VanDerWaalsContact O-CB 3.3Å; K306-E311 WeakPolarHBondContact O-CB 3.49Å; S309-E311 PolarHBondContact O-N 3.34Å; E311-F313 PolarHBondContact O-N 2.86Å; E311-I314 WeakPolarHBondContact O-CB 3.03Å; E311-I314 VanDerWaalsContact O-CG2 3.23Å; E311-I314 WeakPolarHBondContact O-CG2 3.37Å; E311-I314 PolarHBondContact O-N 3.23Å
312	C	98	Very high	97.9	Very high	10 Å²	10	26.7 Å²	26.7	7%	0.068	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	51	31.4	-175.4	-61.5	0	0	0	0	114.2	F246 S247 Y249 I305 N310 I314	F246-C312 WeakPolarHBondContact CA-O 3.18Å; F246-C312 WeakPolarHBondContact CB-O 3.23Å; F246-C312 HydrophobicContact CD2-CB 4.06Å; S247-C312 PolarHBondContact N-O 3.33Å; S247-C312 WeakPolarHBondContact O-CB 3.49Å; Y249-C312 HydrophobicContact CE2-CB 4.31Å; I305-C312 HydrophobicContact CD1-CB 4.31Å; N310-C312 PolarHBondContact O-N 3.15Å; C312-I314 PolarHBondContact O-N 2.83Å
313	F	97	Very high	97.9	Very high	99 Å²	99	26.6 Å²	26.6	43%	0.434	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	63	14.7	-177.4	-56	-82.1	0	0	0	115.7	S247 N310 E311 E315 T316	S247-F313 WeakPolarHBondContact OG-CD2 3.07Å; N310-F313 WeakPolarHBondContact O-CA 3.07Å; N310-F313 PolarHBondContact O-N 3.31Å; N310-F313 VanDerWaalsContact OD1-CA 3.26Å; N310-F313 WeakPolarHBondContact OD1-CA 3.42Å; N310-F313 PolarHBondContact OD1-O 3.2Å; E311-F313 PolarHBondContact O-N 2.86Å; F313-E315 PolarHBondContact O-N 3.09Å; F313-T316 WeakPolarHBondContact O-CB 3.39Å; F313-T316 PolarHBondContact O-N 3.27Å; F313-T316 PolarHBondContact O-OG1 3.37Å; F313-T316 VanDerWaalsContact O-OG1 3.12Å
314	I	98.4	Very high	97.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.1	-174.2	-163.6	167.2	0	0	0	114.4	A244 S245 F246 V273 I275 V289 I305 E311 C312 V318	A244-I314 HydrophobicContact CB-CG1 4.12Å; S245-I314 WeakPolarHBondContact O-CA 3.43Å; F246-I314 HydrophobicContact CB-CB 3.76Å; F246-I314 HydrophobicContact CB-CD1 4.38Å; F246-I314 HydrophobicContact CB-CG1 3.92Å; V273-I314 HydrophobicContact CG2-CD1 4.45Å; I275-I314 HydrophobicContact CD1-CD1 4.46Å; I275-I314 HydrophobicContact CD1-CG1 4.33Å; V289-I314 HydrophobicContact CG2-CD1 4.13Å; I305-I314 HydrophobicContact CD1-CB 4.43Å; I305-I314 HydrophobicContact CD1-CD1 4.17Å; I305-I314 HydrophobicContact CD1-CG2 4.34Å; I305-I314 HydrophobicContact CG2-CD1 3.49Å; I305-I314 VanDerWaalsContact CG2-CD1 3.49Å; E311-I314 WeakPolarHBondContact O-CB 3.03Å; E311-I314 VanDerWaalsContact O-CG2 3.23Å; E311-I314 WeakPolarHBondContact O-CG2 3.37Å; E311-I314 PolarHBondContact O-N 3.23Å; C312-I314 PolarHBondContact O-N 2.83Å; I314-V318 WeakPolarHBondContact O-CG2 3.38Å
315	E	97.8	Very high	97.3	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.042	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-0.2	178.8	-57.7	172.2	168.4	0	0	111.9	S227 I232 W287 G308 N310 F313	S227-E315 WeakPolarHBondContact CA-O 3.23Å; S227-E315 WeakPolarHBondContact CB-O 3.18Å; S227-E315 PolarHBondContact OG-O 3.47Å; I232-E315 HydrophobicContact CD1-CB 3.91Å; I232-E315 HydrophobicContact CD1-CG 4.21Å; W287-E315 HydrophobicContact CZ2-CG 4.37Å; W287-E315 PolarHBondContact NE1-OE1 3.1Å; G308-E315 PolarHBondContact N-OE1 3.01Å; N310-E315 WeakPolarHBondContact CA-OE2 3.44Å; N310-E315 HydrophobicContact CB-CB 4.23Å; N310-E315 PolarHBondContact N-OE2 3.16Å; N310-E315 WeakPolarHBondContact OD1-CA 3.27Å; N310-E315 WeakPolarHBondContact OD1-CB 3.49Å; N310-E315 PolarHBondContact OD1-N 2.91Å; F313-E315 PolarHBondContact O-N 3.09Å
316	T	95.4	Very high	96.6	Very high	46 Å²	46	40.6 Å²	40.6	28%	0.282	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-42.9	-172.9	-56.5	0	0	0	0	111.9	N310 F313	N310-T316 PolarHBondContact ND2-OG1 3.44Å; N310-T316 PolarHBondContact OD1-N 3.17Å; N310-T316 PolarHBondContact OD1-OG1 3.43Å; F313-T316 WeakPolarHBondContact O-CB 3.39Å; F313-T316 PolarHBondContact O-N 3.27Å; F313-T316 PolarHBondContact O-OG1 3.37Å; F313-T316 VanDerWaalsContact O-OG1 3.12Å
317	R	96	Very high	95.3	Very high	37 Å²	37	42.6 Å²	42.6	14%	0.14	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	87.2	-175.9	-66.5	-171.6	172.6	79.1	-10.2	108.3	T62 R65 A244 S245	T62-R317 PolarHBondContact O-NE 2.81Å; T62-R317 PolarHBondContact O-NH2 3.09Å; R65-R317 PolarHBondContact O-NH2 3.01Å; A244-R317 WeakPolarHBondContact CA-O 3.3Å; S245-R317 PolarHBondContact N-O 2.85Å
318	V	98.1	Very high	93.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132.3	-179.3	-176.5	0	0	0	0	108.7	H224 L225 I232 V242 E243 A244 I314	H224-V318 CarbonylContact C-O 3.57Å; H224-V318 WeakPolarHBondContact CA-O 3.48Å; L225-V318 HydrophobicContact CB-CB 4.26Å; L225-V318 HydrophobicContact CB-CG1 4.44Å; L225-V318 HydrophobicContact CD1-CB 4.36Å; L225-V318 HydrophobicContact CD1-CG1 3.65Å; L225-V318 HydrophobicContact CG-CG1 4.33Å; L225-V318 PolarHBondContact N-O 3.34Å; I232-V318 HydrophobicContact CD1-CG2 3.97Å; I232-V318 HydrophobicContact CG1-CG1 4.42Å; I232-V318 HydrophobicContact CG1-CG2 4.49Å; I232-V318 HydrophobicContact CG2-CG1 4.31Å; V242-V318 HydrophobicContact CB-CG1 3.75Å; V242-V318 HydrophobicContact CG1-CG1 4.35Å; V242-V318 HydrophobicContact CG2-CG1 3.53Å; E243-V318 CarbonylContact O-C 3.59Å; E243-V318 VanDerWaalsContact O-CA 3.26Å; E243-V318 WeakPolarHBondContact O-CA 3.46Å; E243-V318 WeakPolarHBondContact O-CG1 3.46Å; A244-V318 HydrophobicContact CB-CG2 4.08Å; I314-V318 WeakPolarHBondContact O-CG2 3.38Å
319	I	98.2	Very high	91.7	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.6	-174.9	-54	-176.8	0	0	0	110.1	P156 A157 F160 Y222 V242 E243	P156-I319 HydrophobicContact CB-CD1 4.08Å; A157-I319 VanDerWaalsContact CA-CD1 3.46Å; A157-I319 HydrophobicContact CB-CD1 3.64Å; F160-I319 HydrophobicContact CB-CG2 4.49Å; F160-I319 HydrophobicContact CD1-CG2 4.25Å; F160-I319 HydrophobicContact CD2-CB 4.49Å; F160-I319 HydrophobicContact CD2-CG2 3.71Å; F160-I319 HydrophobicContact CE1-CG2 4.41Å; F160-I319 HydrophobicContact CE2-CB 4.34Å; F160-I319 HydrophobicContact CE2-CG2 3.89Å; F160-I319 HydrophobicContact CG-CG2 3.9Å; F160-I319 HydrophobicContact CZ-CG2 4.24Å; Y222-I319 HydrophobicContact CD2-CG2 4.44Å; V242-I319 WeakPolarHBondContact CB-O 3.44Å; E243-I319 HydrophobicContact CB-CB 4.4Å; E243-I319 PolarHBondContact N-O 2.87Å; E243-I319 PolarHBondContact O-N 2.99Å
320	G	98.2	Very high	89.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	161.3	167.2	0	0	0	0	0	110.6	Y222 Y223	Y222-G320 CarbonylContact C-O 3.5Å; Y222-G320 WeakPolarHBondContact CA-O 3.26Å; Y223-G320 PolarHBondContact N-O 2.99Å; Y223-G320 PolarHBondContact O-N 3.46Å
321	G	97.2	Very high	87.7	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	159.3	172.8	0	0	0	0	0	113	R122 S221	R122-G321 WeakPolarHBondContact CD-O 3.33Å; R122-G321 PolarHBondContact NH1-O 2.91Å; S221-G321 CarbonylContact O-C 3.46Å; S221-G321 VanDerWaalsContact O-CA 3.23Å; S221-G321 WeakPolarHBondContact O-CA 3.48Å
322	I	97.8	Very high	85.7	Confident	56 Å²	56	50 Å²	50	29%	0.287	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122	177.9	-57.8	-59	0	0	0	108	W163 N220 S221 Y223	W163-I322 WeakPolarHBondContact CH2-O 3.34Å; N220-I322 HydrophobicContact CB-CG2 4.4Å; N220-I322 WeakPolarHBondContact CB-O 3.19Å; N220-I322 PolarHBondContact N-O 3.2Å; S221-I322 PolarHBondContact O-N 3.12Å; Y223-I322 HydrophobicContact CE1-CD1 4.45Å; Y223-I322 HydrophobicContact CE1-CG1 4.04Å; Y223-I322 WeakPolarHBondContact OH-CD1 3.34Å
323	A	97.8	Very high	83.7	Confident	10 Å²	10	54.8 Å²	54.8	8%	0.083	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	138	177.7	0	0	0	0	0	111.9	H123 A126 W163	H123-A323 HydrophobicContact CB-CB 4.43Å; H123-A323 WeakPolarHBondContact ND1-CB 3.28Å; A126-A323 HydrophobicContact CB-CB 4Å; W163-A323 HydrophobicContact CH2-CB 4.23Å; W163-A323 HydrophobicContact CZ2-CB 4.03Å
324	K	96	Very high	81.6	Confident	123 Å²	123	55.2 Å²	55.2	54%	0.535	27%	0.267	S	S	.	.			trans	-86.8	108.3	167.2	-174.7	-179	179.3	-178.3	0	108.3	H218 N220	H218-K324 HydrophobicContact CB-CB 4.27Å; H218-K324 HydrophobicContact CB-CD 4.15Å; H218-K324 VanDerWaalsContact O-CB 3.28Å; H218-K324 WeakPolarHBondContact O-CB 3.35Å; H218-K324 PolarHBondContact O-N 3.34Å; N220-K324 HydrophobicContact CB-CB 4.33Å
325	R	88.7	Confident	79.5	Confident	90 Å²	90	59.3 Å²	59.3	34%	0.34	29%	0.286	S	S	.	.			trans	-64.4	143.8	176	-62.3	-173.9	-63	-156.8	-9	111.5	A126 L327 D329	A126-R325 HydrophobicContact CB-CG 4.39Å; A126-R325 WeakPolarHBondContact O-CD 3.4Å; R325-L327 WeakPolarHBondContact CB-O 3.29Å; R325-D329 IonicContact CZ-OD2 3.67Å; R325-D329 IonicContact NH1-OD1 3.94Å; R325-D329 IonicContact NH1-OD2 2.72Å; R325-D329 PolarHBondContact NH1-OD2 3.09Å; R325-D329 VanDerWaalsContact NH2-CB 3.34Å; R325-D329 IonicContact NH2-OD2 3.64Å
326	R	85.3	Confident	77.7	Confident	105 Å²	105	65.4 Å²	65.4	40%	0.396	31%	0.312	S	S	.	.	S	Bend	trans	-79.9	-38.5	172.5	-61.5	178.9	169.1	-167.2	1.8	111.5	E131 D214 D215 T216 F217	E131-R326 WeakPolarHBondContact OE1-CA 3.27Å; E131-R326 VanDerWaalsContact OE1-CB 3.3Å; E131-R326 WeakPolarHBondContact OE1-CB 3.39Å; E131-R326 PolarHBondContact OE1-N 2.96Å; D214-R326 PolarHBondContact O-NH1 3.06Å; D214-R326 PolarHBondContact O-NH2 3.15Å; D215-R326 PolarHBondContact O-NH2 2.6Å; T216-R326 VanDerWaalsContact N-NH2 3.11Å; T216-R326 PolarHBondContact O-NH2 2.8Å; F217-R326 VanDerWaalsContact CE1-NE 3.33Å; F217-R326 VanDerWaalsContact CE2-CZ 3.45Å
327	L	71.6	Confident	76.1	Confident	118 Å²	118	67.9 Å²	67.9	62%	0.618	33%	0.331	S	S	*	.	S	Bend	trans	-96.8	140	175.8	-62.6	176.5	0	0	0	111.4	E131 R325	E131-L327 PolarHBondContact OE1-N 3.36Å; R325-L327 WeakPolarHBondContact CB-O 3.29Å
328	P	62.5	Low	75	Confident	81 Å²	81	71.7 Å²	71.7	53%	0.526	35%	0.354	S	S	.	.			trans	-57.2	148.2	169.3	-20.4	31.3	0	0	0	111.2	V330 Q333	P328-V330 PolarHBondContact O-N 3.16Å; P328-Q333 HydrophobicContact CB-CG 4.43Å
329	D	57.4	Low	73	Confident	29 Å²	29	74 Å²	74	16%	0.155	38%	0.378	C	S	.	.			trans	-59.8	114.7	173.1	-151.8	-41.4	0	0	0	109.7	R325 R331 V332 Q333	R325-D329 IonicContact CZ-OD2 3.67Å; R325-D329 IonicContact NH1-OD1 3.94Å; R325-D329 IonicContact NH1-OD2 2.72Å; R325-D329 PolarHBondContact NH1-OD2 3.09Å; R325-D329 VanDerWaalsContact NH2-CB 3.34Å; R325-D329 IonicContact NH2-OD2 3.64Å; D329-R331 PolarHBondContact O-N 2.97Å; D329-R331 WeakPolarHBondContact OD1-CA 3.33Å; D329-R331 WeakPolarHBondContact OD1-CB 3.21Å; D329-R331 PolarHBondContact OD1-N 3.14Å; D329-R331 IonicContact OD1-NE 3.82Å; D329-R331 PolarHBondContact OD1-NE 3.42Å; D329-R331 IonicContact OD2-NH2 3.27Å; D329-V332 HydrophobicContact CB-CB 3.68Å; D329-V332 HydrophobicContact CB-CG2 3.53Å; D329-V332 PolarHBondContact O-N 3.36Å; D329-Q333 WeakPolarHBondContact O-CG 3.17Å; D329-Q333 PolarHBondContact O-N 2.84Å
330	V	56.3	Low	71	Confident	75 Å²	75	82.4 Å²	82.4	46%	0.455	41%	0.411	S	S	.	.	H	α-helix	trans	-63.4	-28.6	173.3	-174.9	0	0	0	0	110	P328 Q333 Q334	P328-V330 PolarHBondContact O-N 3.16Å; V330-Q333 PolarHBondContact O-N 3.39Å; V330-Q334 HydrophobicContact CG1-CG 4.22Å; V330-Q334 VanDerWaalsContact O-CB 3.24Å; V330-Q334 WeakPolarHBondContact O-CB 3.22Å; V330-Q334 VanDerWaalsContact O-CG 3.23Å; V330-Q334 WeakPolarHBondContact O-CG 3.24Å; V330-Q334 PolarHBondContact O-N 2.86Å
331	R	55	Low	68.7	Low	114 Å²	114	86.7 Å²	86.7	43%	0.43	43%	0.433	S	S	.	.	H	α-helix	trans	-71.1	-39.7	174.4	-58.7	177.1	-67.2	-167.3	-2.4	112.4	N128 D329 Q333 Q334 Q335	N128-R331 PolarHBondContact OD1-NH1 3.47Å; D329-R331 PolarHBondContact O-N 2.97Å; D329-R331 WeakPolarHBondContact OD1-CA 3.33Å; D329-R331 WeakPolarHBondContact OD1-CB 3.21Å; D329-R331 PolarHBondContact OD1-N 3.14Å; D329-R331 IonicContact OD1-NE 3.82Å; D329-R331 PolarHBondContact OD1-NE 3.42Å; D329-R331 IonicContact OD2-NH2 3.27Å; R331-Q333 VanDerWaalsContact C-N 3.31Å; R331-Q334 PolarHBondContact O-N 3.41Å; R331-Q335 WeakPolarHBondContact O-CB 3.42Å; R331-Q335 WeakPolarHBondContact O-CG 3.23Å; R331-Q335 PolarHBondContact O-N 3.49Å
332	V	57.3	Low	66.5	Low	44 Å²	44	91.6 Å²	91.6	27%	0.267	47%	0.467	S	S	.	.	H	α-helix	trans	-67.4	-37.3	173.7	177.2	0	0	0	0	109.9	D329 K336 L341	D329-V332 HydrophobicContact CB-CB 3.68Å; D329-V332 HydrophobicContact CB-CG2 3.53Å; D329-V332 PolarHBondContact O-N 3.36Å; V332-K336 HydrophobicContact CG1-CD 4.02Å; V332-K336 HydrophobicContact CG1-CG 4.35Å; V332-K336 VanDerWaalsContact O-CB 3.24Å; V332-K336 WeakPolarHBondContact O-CB 3.08Å; V332-K336 WeakPolarHBondContact O-CG 3.11Å; V332-K336 PolarHBondContact O-N 3.4Å; V332-L341 HydrophobicContact CG1-CD1 3.96Å
333	Q	55.8	Low	63.8	Low	110 Å²	110	98 Å²	98	51%	0.514	49%	0.493	S	S	.	.	H	α-helix	trans	-66.8	-42.6	174.6	-70.8	-161.7	-17.2	0	0	111.9	P328 D329 V330 R331 K336 S337	P328-Q333 HydrophobicContact CB-CG 4.43Å; D329-Q333 WeakPolarHBondContact O-CG 3.17Å; D329-Q333 PolarHBondContact O-N 2.84Å; V330-Q333 PolarHBondContact O-N 3.39Å; R331-Q333 VanDerWaalsContact C-N 3.31Å; Q333-K336 PolarHBondContact O-N 2.74Å; Q333-S337 VanDerWaalsContact O-CB 3.32Å; Q333-S337 WeakPolarHBondContact O-CB 3.32Å; Q333-S337 PolarHBondContact O-N 3.2Å; Q333-S337 PolarHBondContact O-OG 3.08Å
334	Q	52.3	Low	61.2	Low	107 Å²	107	103 Å²	103	50%	0.5	53%	0.525	S	S	.	.	H	α-helix	trans	-65.8	-43.2	174.6	-78.2	175.7	-15.7	0	0	111.6	V330 R331 K336 S337 L338	V330-Q334 HydrophobicContact CG1-CG 4.22Å; V330-Q334 VanDerWaalsContact O-CB 3.24Å; V330-Q334 WeakPolarHBondContact O-CB 3.22Å; V330-Q334 VanDerWaalsContact O-CG 3.23Å; V330-Q334 WeakPolarHBondContact O-CG 3.24Å; V330-Q334 PolarHBondContact O-N 2.86Å; R331-Q334 PolarHBondContact O-N 3.41Å; Q334-K336 PolarHBondContact O-N 3.4Å; Q334-S337 VanDerWaalsContact CA-OG 3.31Å; Q334-S337 WeakPolarHBondContact CA-OG 3.42Å; Q334-S337 PolarHBondContact O-N 3.29Å; Q334-S337 PolarHBondContact O-OG 3.18Å; Q334-L338 WeakPolarHBondContact O-CB 3.08Å; Q334-L338 WeakPolarHBondContact O-CD1 3.24Å; Q334-L338 WeakPolarHBondContact O-CG 3.31Å; Q334-L338 PolarHBondContact O-N 3.49Å
335	Q	55.1	Low	58.5	Low	87 Å²	87	103 Å²	103	41%	0.407	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-36.9	175.8	-75.2	172.1	-21.1	0	0	111.9	R331 G339 Y340 L341	R331-Q335 WeakPolarHBondContact O-CB 3.42Å; R331-Q335 WeakPolarHBondContact O-CG 3.23Å; R331-Q335 PolarHBondContact O-N 3.49Å; Q335-G339 PolarHBondContact O-N 2.89Å; Q335-G339 VanDerWaalsContact O-N 3.08Å; Q335-Y340 PolarHBondContact O-N 2.78Å; Q335-L341 HydrophobicContact CB-CD1 3.92Å; Q335-L341 HydrophobicContact CB-CG 4.15Å
336	K	59.4	Low	55.9	Low	137 Å²	137	107.3 Å²	107.3	60%	0.596	56%	0.564	S	S	*	*	H	α-helix	trans	-67.5	-43.2	171	-77.2	176.4	179.5	179.1	0	111.7	V332 Q333 Q334 L338 G339 L341	V332-K336 HydrophobicContact CG1-CD 4.02Å; V332-K336 HydrophobicContact CG1-CG 4.35Å; V332-K336 VanDerWaalsContact O-CB 3.24Å; V332-K336 WeakPolarHBondContact O-CB 3.08Å; V332-K336 WeakPolarHBondContact O-CG 3.11Å; V332-K336 PolarHBondContact O-N 3.4Å; Q333-K336 PolarHBondContact O-N 2.74Å; Q334-K336 PolarHBondContact O-N 3.4Å; K336-L338 VanDerWaalsContact C-N 3.31Å; K336-L338 PolarHBondContact O-N 2.74Å; K336-G339 PolarHBondContact O-N 3.02Å; K336-L341 HydrophobicContact CG-CB 4.14Å; K336-L341 HydrophobicContact CG-CD1 4.21Å
337	S	62	Low	53.4	Low	97 Å²	97	113.6 Å²	113.6	68%	0.678	60%	0.603	S	S	*	*	H	α-helix	trans	-70.2	-29.2	178.8	69.9	0	0	0	0	112.6	Q333 Q334 G339	Q333-S337 VanDerWaalsContact O-CB 3.32Å; Q333-S337 WeakPolarHBondContact O-CB 3.32Å; Q333-S337 PolarHBondContact O-N 3.2Å; Q333-S337 PolarHBondContact O-OG 3.08Å; Q334-S337 VanDerWaalsContact CA-OG 3.31Å; Q334-S337 WeakPolarHBondContact CA-OG 3.42Å; Q334-S337 PolarHBondContact O-N 3.29Å; Q334-S337 PolarHBondContact O-OG 3.18Å; S337-G339 VanDerWaalsContact C-N 3.33Å
338	L	73.3	Confident	52.5	Low	118 Å²	118	113.4 Å²	113.4	62%	0.618	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-0.7	173.7	-66.9	168.5	0	0	0	112.8	Q334 K336 Y340	Q334-L338 WeakPolarHBondContact O-CB 3.08Å; Q334-L338 WeakPolarHBondContact O-CD1 3.24Å; Q334-L338 WeakPolarHBondContact O-CG 3.31Å; Q334-L338 PolarHBondContact O-N 3.49Å; K336-L338 VanDerWaalsContact C-N 3.31Å; K336-L338 PolarHBondContact O-N 2.74Å; L338-Y340 VanDerWaalsContact C-N 3.34Å; L338-Y340 HydrophobicContact CB-CD2 3.64Å; L338-Y340 HydrophobicContact CB-CE2 3.91Å; L338-Y340 HydrophobicContact CD1-CE2 4.44Å; L338-Y340 PolarHBondContact O-N 3.28Å
339	G	55.1	Low	52	Low	49 Å²	49	115.1 Å²	115.1	51%	0.505	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	76.2	8.4	175.4	0	0	0	0	0	116.5	Q335 K336 S337 L341	Q335-G339 PolarHBondContact O-N 2.89Å; Q335-G339 VanDerWaalsContact O-N 3.08Å; K336-G339 PolarHBondContact O-N 3.02Å; S337-G339 VanDerWaalsContact C-N 3.33Å; G339-L341 VanDerWaalsContact C-N 3.32Å; G339-L341 PolarHBondContact O-N 2.75Å
340	Y	57.4	Low	51.7	Low	180 Å²	180	119.8 Å²	119.8	71%	0.706	63%	0.631	S	S	*	*	S	Bend	trans	-72.2	-23.2	179.4	-77.1	-80.1	0	0	0	113.9	Q335 L338	Q335-Y340 PolarHBondContact O-N 2.78Å; L338-Y340 VanDerWaalsContact C-N 3.34Å; L338-Y340 HydrophobicContact CB-CD2 3.64Å; L338-Y340 HydrophobicContact CB-CE2 3.91Å; L338-Y340 HydrophobicContact CD1-CE2 4.44Å; L338-Y340 PolarHBondContact O-N 3.28Å
341	L	49.1	Very low	51.4	Low	90 Å²	90	122.5 Å²	122.5	47%	0.471	64%	0.641	S	S	.	*	S	Bend	trans	-106.4	63.9	173.6	-66.1	170.2	0	0	0	109	V332 Q335 K336 G339	V332-L341 HydrophobicContact CG1-CD1 3.96Å; Q335-L341 HydrophobicContact CB-CD1 3.92Å; Q335-L341 HydrophobicContact CB-CG 4.15Å; K336-L341 HydrophobicContact CG-CB 4.14Å; K336-L341 HydrophobicContact CG-CD1 4.21Å; G339-L341 VanDerWaalsContact C-N 3.32Å; G339-L341 PolarHBondContact O-N 2.75Å
342	S	50.3	Low	51.2	Low	104 Å²	104	123 Å²	123	73%	0.727	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-70.4	134.9	171.6	51.1	0	0	0	0	110
343	K	42.3	Very low	50.8	Low	190 Å²	190	128.3 Å²	128.3	83%	0.826	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-50.7	149.6	-179.9	-76.4	177.8	175.8	177.8	0	111.5	S345	K343-S345 PolarHBondContact O-N 3.23Å
344	P	42.9	Very low	50.4	Low	116 Å²	116	129.6 Å²	129.6	75%	0.753	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-54.8	132.8	175.9	22.6	-31.1	0	0	0	109.8	Q346	P344-Q346 PolarHBondContact O-N 2.95Å; P344-Q346 VanDerWaalsContact O-N 3.15Å
345	S	39.9	Very low	50.3	Low	121 Å²	121	131.3 Å²	131.3	85%	0.846	71%	0.707	S	S	*	*			trans	-44.7	117.9	178.4	48.1	0	0	0	0	110.3	K343	K343-S345 PolarHBondContact O-N 3.23Å
346	Q	32.9	Very low	49.9	Very low	182 Å²	182	135 Å²	135	85%	0.85	73%	0.732	S	S	*	*			trans	-79.8	120.4	169.5	-75.3	-150.3	-36.7	0	0	109.3	P344	P344-Q346 PolarHBondContact O-N 2.95Å; P344-Q346 VanDerWaalsContact O-N 3.15Å
347	I	33.8	Very low	49	Very low	236 Å²	236	134.8 Å²	134.8	100%	1.21	75%	0.745	S	S	*	*			trans	77.7	0	162.1	-50.1	172.8	0	0	0	115.4

Retrieved 347 of 347 residues in 855.1 ms (Link to these results)

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