A0A5K4FDY5_SCHMA Loading...

alpha-1,2-Mannosidase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FDY5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 581 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	37.3	Very low	52.6	Low	246 Å²	246	170.6 Å²	170.6	100%	1.212	78%	0.783	S	S	*	*				0	139.8	0	-89.7	161.2	72.3	0	0	109.8	L3	M1-L3 PolarHBondContact O-N 3.46Å
2	K	44.6	Very low	54.6	Low	199 Å²	199	171.6 Å²	171.6	87%	0.865	78%	0.775	S	S	*	*			trans	-53.1	119.5	-166.8	-68.9	163.7	173.6	173.1	0	114.7	R4	K2-R4 VanDerWaalsContact C-N 3.28Å
3	L	43.4	Very low	56.4	Low	162 Å²	162	166.2 Å²	166.2	85%	0.848	76%	0.756	S	S	*	*			trans	-88.3	17.9	165.3	-104.2	152.9	0	0	0	113.3	M1 V5	M1-L3 PolarHBondContact O-N 3.46Å; L3-V5 VanDerWaalsContact C-N 3.32Å; L3-V5 PolarHBondContact O-N 2.82Å
4	R	49.6	Very low	58.2	Low	221 Å²	221	164.1 Å²	164.1	83%	0.834	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	12.9	-169.1	-138.5	178.7	-170.7	179.7	2.8	115.5	K2	K2-R4 VanDerWaalsContact C-N 3.28Å
5	V	50.5	Low	59.7	Low	114 Å²	114	160.7 Å²	160.7	69%	0.691	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-14.3	-172.7	-174.7	0	0	0	0	114	L3	L3-V5 VanDerWaalsContact C-N 3.32Å; L3-V5 PolarHBondContact O-N 2.82Å
6	R	51.4	Low	61.1	Low	217 Å²	217	158.4 Å²	158.4	82%	0.819	73%	0.725	S	S	*	*	H	α-helix	trans	-77	-35.2	-178	-94.4	-178.2	171.3	173.9	-2.7	115	F8	R6-F8 VanDerWaalsContact C-N 3.34Å; R6-F8 PolarHBondContact O-N 3.37Å
7	S	54.9	Low	62.4	Low	85 Å²	85	154.5 Å²	154.5	59%	0.594	71%	0.71	S	S	*	*	H	α-helix	trans	-71.3	-27.5	-175.4	67.3	0	0	0	0	113.9	R11	S7-R11 PolarHBondContact O-N 3.26Å
8	F	53.6	Low	63.7	Low	145 Å²	145	150 Å²	150	64%	0.636	69%	0.692	S	S	*	*	H	α-helix	trans	-72.5	-32.8	-176.7	-129.1	-89.2	0	0	0	112.8	R6 R12	R6-F8 VanDerWaalsContact C-N 3.34Å; R6-F8 PolarHBondContact O-N 3.37Å; F8-R12 PolarHBondContact O-N 3.5Å
9	R	58.9	Low	64.6	Low	201 Å²	201	146.2 Å²	146.2	76%	0.758	68%	0.68	S	S	*	*	H	α-helix	trans	-68.8	-43.5	176.9	-95.5	-176.9	173.5	174.2	-1.8	112.2	R11 R12 I13	R9-R11 PolarHBondContact O-N 3.07Å; R9-R12 PolarHBondContact O-N 3.44Å; R9-I13 WeakPolarHBondContact O-CG1 3.23Å; R9-I13 PolarHBondContact O-N 2.79Å; R9-I13 VanDerWaalsContact O-N 3.17Å
10	C	63.9	Low	65.5	Low	92 Å²	92	143.3 Å²	143.3	62%	0.622	67%	0.673	S	S	*	*	H	α-helix	trans	-62.9	-41.2	178.7	-76.8	0	0	0	0	113	R12 I13 F14	C10-R12 PolarHBondContact O-N 2.7Å; C10-I13 PolarHBondContact O-N 2.96Å; C10-F14 PolarHBondContact O-N 2.8Å
11	R	70.8	Confident	66.3	Low	195 Å²	195	140.8 Å²	140.8	74%	0.736	66%	0.663	S	S	*	*	H	α-helix	trans	-62.9	-40.7	177.6	-101.4	-175.8	175.5	-175.9	-2.1	112.7	S7 R9 F14 H15	S7-R11 PolarHBondContact O-N 3.26Å; R9-R11 PolarHBondContact O-N 3.07Å; R11-F14 PolarHBondContact O-N 3.48Å; R11-H15 PolarHBondContact O-CD2 3.24Å; R11-H15 PolarHBondContact O-N 3.34Å
12	R	75.9	Confident	68.4	Low	182 Å²	182	133.3 Å²	133.3	69%	0.687	63%	0.627	S	S	*	*	H	α-helix	trans	-64.9	-42.3	177.3	-79.8	-172.3	173.2	-177.6	-1.9	112.1	F8 R9 C10 H15 L16	F8-R12 PolarHBondContact O-N 3.5Å; R9-R12 PolarHBondContact O-N 3.44Å; C10-R12 PolarHBondContact O-N 2.7Å; R12-H15 PolarHBondContact O-N 3.43Å; R12-L16 WeakPolarHBondContact O-CB 3.3Å; R12-L16 PolarHBondContact O-N 3.45Å
13	I	78.7	Confident	70.2	Confident	102 Å²	102	128.3 Å²	128.3	52%	0.523	61%	0.609	S	S	.	*	H	α-helix	trans	-64.2	-45.3	177.4	-64.7	169.5	0	0	0	110.3	R9 C10 H15 L16 I17	R9-I13 WeakPolarHBondContact O-CG1 3.23Å; R9-I13 PolarHBondContact O-N 2.79Å; R9-I13 VanDerWaalsContact O-N 3.17Å; C10-I13 PolarHBondContact O-N 2.96Å; I13-H15 PolarHBondContact O-N 3.26Å; I13-L16 WeakPolarHBondContact O-CB 3.45Å; I13-L16 PolarHBondContact O-N 3.34Å; I13-I17 HydrophobicContact CG2-CD1 3.79Å; I13-I17 HydrophobicContact CG2-CG1 4.39Å; I13-I17 WeakPolarHBondContact O-CG1 3.14Å; I13-I17 PolarHBondContact O-N 3.18Å
14	F	81.8	Confident	71.7	Confident	137 Å²	137	127.8 Å²	127.8	60%	0.601	60%	0.6	S	S	*	*	H	α-helix	trans	-62	-43.7	178.1	-170.5	-92.8	0	0	0	112.4	C10 R11 L16 I17 L18	C10-F14 PolarHBondContact O-N 2.8Å; R11-F14 PolarHBondContact O-N 3.48Å; F14-L16 VanDerWaalsContact C-N 3.33Å; F14-L16 PolarHBondContact O-N 2.57Å; F14-I17 PolarHBondContact O-N 3Å; F14-L18 WeakPolarHBondContact O-CB 3.1Å; F14-L18 PolarHBondContact O-N 3.2Å
15	H	80.7	Confident	72.9	Confident	112 Å²	112	120.6 Å²	120.6	52%	0.519	58%	0.581	S	S	.	*	H	α-helix	trans	-63.4	-38.4	174.2	-82.3	-60.6	0	0	0	112.5	R11 R12 I13 L18 V19	R11-H15 PolarHBondContact O-CD2 3.24Å; R11-H15 PolarHBondContact O-N 3.34Å; R12-H15 PolarHBondContact O-N 3.43Å; I13-H15 PolarHBondContact O-N 3.26Å; H15-L18 PolarHBondContact O-N 3.11Å; H15-V19 WeakPolarHBondContact O-CB 3.45Å; H15-V19 WeakPolarHBondContact O-CG2 3.42Å; H15-V19 PolarHBondContact O-N 2.75Å
16	L	82.2	Confident	74.1	Confident	124 Å²	124	118.8 Å²	118.8	65%	0.649	57%	0.57	S	S	*	*	H	α-helix	trans	-64.1	-46.3	176.9	-152.7	90.2	0	0	0	111.2	R12 I13 F14 L18 V19 V20	R12-L16 WeakPolarHBondContact O-CB 3.3Å; R12-L16 PolarHBondContact O-N 3.45Å; I13-L16 WeakPolarHBondContact O-CB 3.45Å; I13-L16 PolarHBondContact O-N 3.34Å; F14-L16 VanDerWaalsContact C-N 3.33Å; F14-L16 PolarHBondContact O-N 2.57Å; L16-L18 PolarHBondContact O-N 2.69Å; L16-V19 PolarHBondContact O-N 3.14Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 2.82Å
17	I	83.6	Confident	75.3	Confident	92 Å²	92	111.6 Å²	111.6	47%	0.472	55%	0.55	S	S	.	.	H	α-helix	trans	-60.8	-45.8	176.3	-67.6	168.5	0	0	0	110.3	I13 F14 V19 V20 I21	I13-I17 HydrophobicContact CG2-CD1 3.79Å; I13-I17 HydrophobicContact CG2-CG1 4.39Å; I13-I17 WeakPolarHBondContact O-CG1 3.14Å; I13-I17 PolarHBondContact O-N 3.18Å; F14-I17 PolarHBondContact O-N 3Å; I17-V19 PolarHBondContact O-N 3.05Å; I17-V20 PolarHBondContact O-N 3.23Å; I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.36Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.27Å; I17-I21 PolarHBondContact O-N 3.5Å
18	L	84.2	Confident	76.3	Confident	74 Å²	74	110.1 Å²	110.1	39%	0.387	54%	0.54	S	S	.	.	H	α-helix	trans	-62.6	-42	178.9	-168.9	74	0	0	0	111.8	F14 H15 L16 I21 I22	F14-L18 WeakPolarHBondContact O-CB 3.1Å; F14-L18 PolarHBondContact O-N 3.2Å; H15-L18 PolarHBondContact O-N 3.11Å; L16-L18 PolarHBondContact O-N 2.69Å; L18-I21 PolarHBondContact O-N 3.48Å; L18-I22 HydrophobicContact CD2-CD1 4.43Å; L18-I22 HydrophobicContact CG-CD1 4Å; L18-I22 WeakPolarHBondContact O-CB 3.48Å; L18-I22 VanDerWaalsContact O-CG1 3.23Å; L18-I22 WeakPolarHBondContact O-CG1 3.11Å; L18-I22 PolarHBondContact O-N 3.1Å
19	V	82.6	Confident	77.3	Confident	78 Å²	78	108.3 Å²	108.3	47%	0.473	54%	0.536	S	S	.	.	H	α-helix	trans	-63.6	-42.8	176	168.8	0	0	0	0	111	H15 L16 I17 I22 I23	H15-V19 WeakPolarHBondContact O-CB 3.45Å; H15-V19 WeakPolarHBondContact O-CG2 3.42Å; H15-V19 PolarHBondContact O-N 2.75Å; L16-V19 PolarHBondContact O-N 3.14Å; I17-V19 PolarHBondContact O-N 3.05Å; V19-I22 PolarHBondContact O-N 3.2Å; V19-I23 HydrophobicContact CG1-CD1 3.72Å; V19-I23 HydrophobicContact CG1-CG1 4.4Å; V19-I23 WeakPolarHBondContact O-CB 3.02Å; V19-I23 VanDerWaalsContact O-CG1 3.26Å; V19-I23 WeakPolarHBondContact O-CG1 3.28Å; V19-I23 PolarHBondContact O-N 2.85Å
20	V	81.7	Confident	78.2	Confident	88 Å²	88	103.5 Å²	103.5	53%	0.533	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-43.7	175.8	171.2	0	0	0	0	111.2	L16 I17 I23 F24	L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 2.82Å; I17-V20 PolarHBondContact O-N 3.23Å; V20-I23 PolarHBondContact O-N 3.49Å; V20-F24 WeakPolarHBondContact O-CB 3.2Å; V20-F24 PolarHBondContact O-N 3Å
21	I	82.7	Confident	78.7	Confident	90 Å²	90	101.3 Å²	101.3	46%	0.462	51%	0.507	S	S	.	.	H	α-helix	trans	-61.9	-46.4	175.5	-68.5	167.9	0	0	0	110.5	I17 L18 I23 F24 V25	I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.36Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.27Å; I17-I21 PolarHBondContact O-N 3.5Å; L18-I21 PolarHBondContact O-N 3.48Å; I21-I23 PolarHBondContact O-N 2.91Å; I21-F24 PolarHBondContact O-N 2.68Å; I21-V25 HydrophobicContact CG2-CG2 4.21Å; I21-V25 WeakPolarHBondContact O-CB 3.29Å; I21-V25 VanDerWaalsContact O-CG2 3.26Å; I21-V25 WeakPolarHBondContact O-CG2 3.17Å; I21-V25 PolarHBondContact O-N 3.42Å
22	I	81.7	Confident	78.9	Confident	90 Å²	90	93.8 Å²	93.8	46%	0.462	48%	0.481	S	S	.	.	H	α-helix	trans	-60.3	-46.6	178.5	-70.7	166.2	0	0	0	110.3	L18 V19 F24 V25 T26	L18-I22 HydrophobicContact CD2-CD1 4.43Å; L18-I22 HydrophobicContact CG-CD1 4Å; L18-I22 WeakPolarHBondContact O-CB 3.48Å; L18-I22 VanDerWaalsContact O-CG1 3.23Å; L18-I22 WeakPolarHBondContact O-CG1 3.11Å; L18-I22 PolarHBondContact O-N 3.1Å; V19-I22 PolarHBondContact O-N 3.2Å; I22-F24 VanDerWaalsContact C-N 3.35Å; I22-F24 PolarHBondContact O-N 2.5Å; I22-V25 PolarHBondContact O-N 2.99Å; I22-T26 HydrophobicContact CG2-CG2 4.17Å; I22-T26 WeakPolarHBondContact O-CB 3.42Å; I22-T26 VanDerWaalsContact O-CG2 3.28Å; I22-T26 WeakPolarHBondContact O-CG2 3.45Å; I22-T26 PolarHBondContact O-N 2.91Å; I22-T26 PolarHBondContact O-OG1 3.27Å
23	I	81.1	Confident	78.9	Confident	94 Å²	94	91.4 Å²	91.4	48%	0.482	47%	0.473	S	S	.	.	H	α-helix	trans	-61.4	-43.2	178.1	-69	167.1	0	0	0	111.1	V19 V20 I21 T26 T27	V19-I23 HydrophobicContact CG1-CD1 3.72Å; V19-I23 HydrophobicContact CG1-CG1 4.4Å; V19-I23 WeakPolarHBondContact O-CB 3.02Å; V19-I23 VanDerWaalsContact O-CG1 3.26Å; V19-I23 WeakPolarHBondContact O-CG1 3.28Å; V19-I23 PolarHBondContact O-N 2.85Å; V20-I23 PolarHBondContact O-N 3.49Å; I21-I23 PolarHBondContact O-N 2.91Å; I23-T26 WeakPolarHBondContact CA-OG1 3.46Å; I23-T26 PolarHBondContact O-N 2.9Å; I23-T26 PolarHBondContact O-OG1 3.25Å; I23-T27 HydrophobicContact CG2-CG2 4.34Å; I23-T27 WeakPolarHBondContact O-CB 3.26Å; I23-T27 WeakPolarHBondContact O-CG2 3.29Å; I23-T27 PolarHBondContact O-N 3.03Å; I23-T27 PolarHBondContact O-OG1 2.72Å
24	F	74.9	Confident	78.8	Confident	151 Å²	151	89.6 Å²	89.6	66%	0.662	46%	0.464	S	S	*	.	H	α-helix	trans	-65.4	-43.4	179.2	-165.3	-92.4	0	0	0	111.8	V20 I21 I22 T27 S28	V20-F24 WeakPolarHBondContact O-CB 3.2Å; V20-F24 PolarHBondContact O-N 3Å; I21-F24 PolarHBondContact O-N 2.68Å; I22-F24 VanDerWaalsContact C-N 3.35Å; I22-F24 PolarHBondContact O-N 2.5Å; F24-T27 WeakPolarHBondContact CA-OG1 3.29Å; F24-T27 PolarHBondContact O-OG1 2.71Å; F24-T27 VanDerWaalsContact O-OG1 3.06Å; F24-S28 VanDerWaalsContact O-CB 3.23Å; F24-S28 WeakPolarHBondContact O-CB 3.2Å; F24-S28 PolarHBondContact O-N 2.91Å
25	V	75.8	Confident	78.5	Confident	70 Å²	70	83.2 Å²	83.2	42%	0.424	44%	0.436	S	S	.	.	H	α-helix	trans	-66.5	-44.3	176.8	173	0	0	0	0	111.1	I21 I22 S28 L29	I21-V25 HydrophobicContact CG2-CG2 4.21Å; I21-V25 WeakPolarHBondContact O-CB 3.29Å; I21-V25 VanDerWaalsContact O-CG2 3.26Å; I21-V25 WeakPolarHBondContact O-CG2 3.17Å; I21-V25 PolarHBondContact O-N 3.42Å; I22-V25 PolarHBondContact O-N 2.99Å; V25-S28 PolarHBondContact O-N 3.39Å; V25-L29 HydrophobicContact CG1-CD1 3.81Å; V25-L29 HydrophobicContact CG1-CG 4.32Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 VanDerWaalsContact O-CG 3.23Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.24Å
26	T	76	Confident	78.2	Confident	76 Å²	76	80.6 Å²	80.6	47%	0.466	42%	0.424	S	S	.	.	H	α-helix	trans	-69.3	-38.8	-179.4	56.1	0	0	0	0	112.6	I22 I23 L29 L30	I22-T26 HydrophobicContact CG2-CG2 4.17Å; I22-T26 WeakPolarHBondContact O-CB 3.42Å; I22-T26 VanDerWaalsContact O-CG2 3.28Å; I22-T26 WeakPolarHBondContact O-CG2 3.45Å; I22-T26 PolarHBondContact O-N 2.91Å; I22-T26 PolarHBondContact O-OG1 3.27Å; I23-T26 WeakPolarHBondContact CA-OG1 3.46Å; I23-T26 PolarHBondContact O-N 2.9Å; I23-T26 PolarHBondContact O-OG1 3.25Å; T26-L29 PolarHBondContact O-N 3.16Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.26Å; T26-L30 PolarHBondContact O-N 3.47Å
27	T	76	Confident	77.8	Confident	65 Å²	65	77.6 Å²	77.6	40%	0.399	41%	0.407	S	S	.	.	H	α-helix	trans	-66.7	-41.3	174.3	49.2	0	0	0	0	112.1	I23 F24 L30 N31	I23-T27 HydrophobicContact CG2-CG2 4.34Å; I23-T27 WeakPolarHBondContact O-CB 3.26Å; I23-T27 WeakPolarHBondContact O-CG2 3.29Å; I23-T27 PolarHBondContact O-N 3.03Å; I23-T27 PolarHBondContact O-OG1 2.72Å; F24-T27 WeakPolarHBondContact CA-OG1 3.29Å; F24-T27 PolarHBondContact O-OG1 2.71Å; F24-T27 VanDerWaalsContact O-OG1 3.06Å; T27-L30 PolarHBondContact O-N 3.02Å; T27-N31 WeakPolarHBondContact O-CB 3.44Å; T27-N31 VanDerWaalsContact O-CG 3.29Å; T27-N31 PolarHBondContact O-N 3.22Å
28	S	74.8	Confident	77.3	Confident	54 Å²	54	78.2 Å²	78.2	38%	0.378	41%	0.406	S	S	.	.	H	α-helix	trans	-60.7	-47.7	173.1	179.3	0	0	0	0	111.8	F24 V25 L30 N31 N32	F24-S28 VanDerWaalsContact O-CB 3.23Å; F24-S28 WeakPolarHBondContact O-CB 3.2Å; F24-S28 PolarHBondContact O-N 2.91Å; V25-S28 PolarHBondContact O-N 3.39Å; S28-L30 PolarHBondContact O-N 3.19Å; S28-N31 PolarHBondContact O-N 3.34Å; S28-N32 WeakPolarHBondContact O-CB 3.43Å; S28-N32 VanDerWaalsContact O-CG 3.29Å; S28-N32 PolarHBondContact O-N 3.15Å; S28-N32 PolarHBondContact O-ND2 3.42Å
29	L	75.8	Confident	76.6	Confident	108 Å²	108	75.8 Å²	75.8	57%	0.565	39%	0.394	S	S	*	.	H	α-helix	trans	-63.2	-41.8	177.5	-73.1	172.2	0	0	0	112.3	V25 T26 N32 Y33	V25-L29 HydrophobicContact CG1-CD1 3.81Å; V25-L29 HydrophobicContact CG1-CG 4.32Å; V25-L29 WeakPolarHBondContact O-CB 3.35Å; V25-L29 VanDerWaalsContact O-CG 3.23Å; V25-L29 WeakPolarHBondContact O-CG 3.25Å; V25-L29 PolarHBondContact O-N 3.24Å; T26-L29 PolarHBondContact O-N 3.16Å; L29-N32 PolarHBondContact O-N 3.36Å; L29-Y33 WeakPolarHBondContact O-CB 3.22Å; L29-Y33 PolarHBondContact O-N 3.38Å
30	L	77.4	Confident	75.4	Confident	99 Å²	99	78 Å²	78	52%	0.518	40%	0.402	S	S	.	.	H	α-helix	trans	-66.1	-42.4	178.1	-173.8	67.9	0	0	0	111.5	T26 T27 S28 N32 Y33 L34	T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.26Å; T26-L30 PolarHBondContact O-N 3.47Å; T27-L30 PolarHBondContact O-N 3.02Å; S28-L30 PolarHBondContact O-N 3.19Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 2.73Å; L30-Y33 PolarHBondContact O-N 2.73Å; L30-L34 HydrophobicContact CG-CD1 4.25Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 2.86Å
31	N	73.8	Confident	73.9	Confident	46 Å²	46	80.3 Å²	80.3	25%	0.246	41%	0.405	C	S	.	.	H	α-helix	trans	-62.7	-42	176	-76.9	-7	0	0	0	111.7	T27 S28 L34 F35 K492	T27-N31 WeakPolarHBondContact O-CB 3.44Å; T27-N31 VanDerWaalsContact O-CG 3.29Å; T27-N31 PolarHBondContact O-N 3.22Å; S28-N31 PolarHBondContact O-N 3.34Å; N31-L34 PolarHBondContact O-N 2.78Å; N31-F35 WeakPolarHBondContact O-CB 3.24Å; N31-F35 PolarHBondContact O-N 3.47Å; N31-K492 PolarHBondContact ND2-O 3.32Å
32	N	76	Confident	71.8	Confident	37 Å²	37	79.7 Å²	79.7	20%	0.198	40%	0.402	C	S	.	.	H	α-helix	trans	-62.9	-45	174.4	-73.2	-20.8	0	0	0	111.4	S28 L29 L30 F35 E36	S28-N32 WeakPolarHBondContact O-CB 3.43Å; S28-N32 VanDerWaalsContact O-CG 3.29Å; S28-N32 PolarHBondContact O-N 3.15Å; S28-N32 PolarHBondContact O-ND2 3.42Å; L29-N32 PolarHBondContact O-N 3.36Å; L30-N32 VanDerWaalsContact C-N 3.34Å; L30-N32 PolarHBondContact O-N 2.73Å; N32-F35 PolarHBondContact O-N 3.21Å; N32-E36 WeakPolarHBondContact O-CB 3.41Å; N32-E36 WeakPolarHBondContact O-CG 2.87Å; N32-E36 PolarHBondContact O-N 2.82Å
33	Y	75.8	Confident	69.4	Low	132 Å²	132	79.1 Å²	79.1	52%	0.518	40%	0.404	S	S	.	.	H	α-helix	trans	-61.5	-45.1	176.9	178.6	-92.3	0	0	0	112.1	L29 L30 F35 E36 E37	L29-Y33 WeakPolarHBondContact O-CB 3.22Å; L29-Y33 PolarHBondContact O-N 3.38Å; L30-Y33 PolarHBondContact O-N 2.73Å; Y33-F35 VanDerWaalsContact C-N 3.31Å; Y33-F35 PolarHBondContact O-N 3.13Å; Y33-E36 PolarHBondContact O-N 3.33Å; Y33-E37 VanDerWaalsContact CE1-OE2 3.31Å; Y33-E37 WeakPolarHBondContact CE1-OE2 3.31Å; Y33-E37 WeakPolarHBondContact O-CB 3.39Å; Y33-E37 PolarHBondContact O-N 2.86Å
34	L	75.4	Confident	67.5	Low	65 Å²	65	80.9 Å²	80.9	34%	0.34	43%	0.425	S	S	.	.	H	α-helix	trans	-64.7	-35.8	177.4	-72.5	172.8	0	0	0	112.5	L30 N31 K38 P494	L30-L34 HydrophobicContact CG-CD1 4.25Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CG 3.48Å; L30-L34 PolarHBondContact O-N 2.86Å; N31-L34 PolarHBondContact O-N 2.78Å; L34-K38 WeakPolarHBondContact O-CB 3.15Å; L34-K38 WeakPolarHBondContact O-CG 2.98Å; L34-K38 PolarHBondContact O-N 2.9Å; L34-K38 VanDerWaalsContact O-N 3.12Å; L34-P494 HydrophobicContact CB-CG 4.32Å
35	F	76.6	Confident	65.5	Low	3 Å²	3	79.4 Å²	79.4	1%	0.013	43%	0.428	C	S	.	.	H	α-helix	trans	-67.3	-50.8	175.1	176.4	-104.9	0	0	0	111.5	N31 N32 Y33 E37 K38 I39 T124 V125 I128 P494 R497 V498 F550	N31-F35 WeakPolarHBondContact O-CB 3.24Å; N31-F35 PolarHBondContact O-N 3.47Å; N32-F35 PolarHBondContact O-N 3.21Å; Y33-F35 VanDerWaalsContact C-N 3.31Å; Y33-F35 PolarHBondContact O-N 3.13Å; F35-E37 VanDerWaalsContact C-N 3.34Å; F35-E37 PolarHBondContact O-N 3.2Å; F35-K38 PolarHBondContact O-N 3.38Å; F35-I39 HydrophobicContact CD1-CD1 4.34Å; F35-I39 HydrophobicContact CD2-CD1 4.04Å; F35-I39 HydrophobicContact CD2-CG1 4.46Å; F35-I39 HydrophobicContact CE1-CD1 3.64Å; F35-I39 HydrophobicContact CE2-CD1 3.26Å; F35-I39 HydrophobicContact CE2-CG1 4.1Å; F35-I39 HydrophobicContact CZ-CD1 3.07Å; F35-I39 HydrophobicContact CZ-CG1 4.22Å; F35-I39 PolarHBondContact O-N 3.4Å; F35-T124 HydrophobicContact CE1-CG2 4.19Å; F35-V125 HydrophobicContact CD1-CG2 3.8Å; F35-V125 HydrophobicContact CE1-CB 4.45Å; F35-V125 HydrophobicContact CE1-CG2 3.33Å; F35-V125 HydrophobicContact CZ-CG2 4.03Å; F35-I128 HydrophobicContact CE1-CD1 4.25Å; F35-I128 HydrophobicContact CZ-CD1 3.82Å; F35-P494 HydrophobicContact CB-CB 4.16Å; F35-R497 HydrophobicContact CD2-CB 3.88Å; F35-R497 HydrophobicContact CE2-CB 3.4Å; F35-R497 VanDerWaalsContact CE2-CB 3.4Å; F35-R497 HydrophobicContact CE2-CG 4.48Å; F35-R497 HydrophobicContact CZ-CB 4.21Å; F35-V498 HydrophobicContact CD2-CG2 3.96Å; F35-V498 HydrophobicContact CE2-CG2 4.27Å; F35-F550 HydrophobicContact CE2-CE1 4.37Å; F35-F550 HydrophobicContact CZ-CD1 4.48Å; F35-F550 HydrophobicContact CZ-CE1 4.08Å
36	E	74.6	Confident	63.4	Low	57 Å²	57	80 Å²	80	27%	0.266	43%	0.431	S	S	.	.	H	α-helix	trans	-61.6	-41.8	176.3	-76.7	-176.2	176.5	0	0	111.8	N32 Y33 K38 I39 L40 N122 T124	N32-E36 WeakPolarHBondContact O-CB 3.41Å; N32-E36 WeakPolarHBondContact O-CG 2.87Å; N32-E36 PolarHBondContact O-N 2.82Å; Y33-E36 PolarHBondContact O-N 3.33Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.15Å; E36-I39 PolarHBondContact O-N 3.05Å; E36-L40 HydrophobicContact CB-CD1 4.01Å; E36-L40 WeakPolarHBondContact O-CA 3.11Å; E36-L40 WeakPolarHBondContact O-CB 3.47Å; E36-L40 VanDerWaalsContact O-CG 3.29Å; E36-L40 WeakPolarHBondContact O-CG 3.33Å; E36-L40 PolarHBondContact O-N 2.93Å; E36-N122 PolarHBondContact OE1-ND2 3.38Å; E36-T124 PolarHBondContact OE1-OG1 2.84Å
37	E	74	Confident	61.3	Low	60 Å²	60	81.9 Å²	81.9	28%	0.28	45%	0.445	S	S	.	.	H	α-helix	trans	-59.3	-42.6	176.2	-175.1	174.5	-167	0	0	111	Y33 F35 K41	Y33-E37 VanDerWaalsContact CE1-OE2 3.31Å; Y33-E37 WeakPolarHBondContact CE1-OE2 3.31Å; Y33-E37 WeakPolarHBondContact O-CB 3.39Å; Y33-E37 PolarHBondContact O-N 2.86Å; F35-E37 VanDerWaalsContact C-N 3.34Å; F35-E37 PolarHBondContact O-N 3.2Å; E37-K41 HydrophobicContact CG-CD 3.67Å; E37-K41 HydrophobicContact CG-CG 4.32Å; E37-K41 WeakPolarHBondContact O-CB 3.35Å; E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 3.4Å; E37-K41 VanDerWaalsContact O-N 3.11Å; E37-K41 IonicContact OE1-NZ 3.71Å; E37-K41 PolarHBondContact OE1-NZ 3.47Å
38	K	71.5	Confident	59.4	Low	106 Å²	106	83.9 Å²	83.9	46%	0.461	45%	0.448	S	S	.	.	H	α-helix	trans	-71	-38.3	177.8	-77.7	-176.7	178	-177	0	113.1	L34 F35 E36 L42 V498	L34-K38 WeakPolarHBondContact O-CB 3.15Å; L34-K38 WeakPolarHBondContact O-CG 2.98Å; L34-K38 PolarHBondContact O-N 2.9Å; L34-K38 VanDerWaalsContact O-N 3.12Å; F35-K38 PolarHBondContact O-N 3.38Å; E36-K38 VanDerWaalsContact C-N 3.29Å; E36-K38 PolarHBondContact O-N 3.15Å; K38-L42 WeakPolarHBondContact O-CG 3.4Å; K38-V498 HydrophobicContact CB-CG2 3.92Å; K38-V498 HydrophobicContact CD-CG2 4Å
39	I	70.1	Confident	57.4	Low	23 Å²	23	86.2 Å²	86.2	12%	0.118	46%	0.462	C	S	.	.	H	α-helix	trans	-79.2	-43.8	-178.7	-71	-168.3	0	0	0	112.2	F35 E36 L42 T124 I128 V498 W501	F35-I39 HydrophobicContact CD1-CD1 4.34Å; F35-I39 HydrophobicContact CD2-CD1 4.04Å; F35-I39 HydrophobicContact CD2-CG1 4.46Å; F35-I39 HydrophobicContact CE1-CD1 3.64Å; F35-I39 HydrophobicContact CE2-CD1 3.26Å; F35-I39 HydrophobicContact CE2-CG1 4.1Å; F35-I39 HydrophobicContact CZ-CD1 3.07Å; F35-I39 HydrophobicContact CZ-CG1 4.22Å; F35-I39 PolarHBondContact O-N 3.4Å; E36-I39 PolarHBondContact O-N 3.05Å; I39-L42 PolarHBondContact O-N 3.05Å; I39-T124 HydrophobicContact CG2-CG2 4.29Å; I39-I128 HydrophobicContact CD1-CD1 3.57Å; I39-V498 HydrophobicContact CG1-CG2 4.49Å; I39-W501 HydrophobicContact CD1-CB 4.24Å; I39-W501 HydrophobicContact CD1-CG 4.02Å
40	L	57.8	Low	55.4	Low	124 Å²	124	90.1 Å²	90.1	65%	0.649	48%	0.478	S	S	*	.	H	α-helix	trans	-74.1	-28.3	-179.2	-64.8	169.5	0	0	0	112.3	E36 L42	E36-L40 HydrophobicContact CB-CD1 4.01Å; E36-L40 WeakPolarHBondContact O-CA 3.11Å; E36-L40 WeakPolarHBondContact O-CB 3.47Å; E36-L40 VanDerWaalsContact O-CG 3.29Å; E36-L40 WeakPolarHBondContact O-CG 3.33Å; E36-L40 PolarHBondContact O-N 2.93Å; L40-L42 VanDerWaalsContact C-N 3.34Å
41	K	49.5	Very low	53.6	Low	137 Å²	137	89 Å²	89	60%	0.596	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	9.5	176.3	-63.4	-175.3	175.7	176.5	0	114.3	E37 P43	E37-K41 HydrophobicContact CG-CD 3.67Å; E37-K41 HydrophobicContact CG-CG 4.32Å; E37-K41 WeakPolarHBondContact O-CB 3.35Å; E37-K41 WeakPolarHBondContact O-CG 3.48Å; E37-K41 PolarHBondContact O-N 3.4Å; E37-K41 VanDerWaalsContact O-N 3.11Å; E37-K41 IonicContact OE1-NZ 3.71Å; E37-K41 PolarHBondContact OE1-NZ 3.47Å; K41-P43 WeakPolarHBondContact O-CD 3.5Å
42	L	38.2	Very low	52.1	Low	76 Å²	76	93.9 Å²	93.9	40%	0.398	50%	0.496	S	S	.	.			trans	-75.8	102.1	165.1	-79.6	158.4	0	0	0	107.9	K38 I39 L40 S44 V46	K38-L42 WeakPolarHBondContact O-CG 3.4Å; I39-L42 PolarHBondContact O-N 3.05Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L42-S44 PolarHBondContact O-N 3.23Å; L42-V46 HydrophobicContact CD2-CG2 4.14Å
43	P	32.6	Very low	50.6	Low	78 Å²	78	93.9 Å²	93.9	51%	0.506	51%	0.505	S	S	.	.			trans	-57.6	144.2	161.1	28.6	-33.9	0	0	0	106.6	K41 V45 V46	K41-P43 WeakPolarHBondContact O-CD 3.5Å; P43-V45 PolarHBondContact O-N 2.83Å; P43-V46 HydrophobicContact CG-CG2 3.59Å
44	S	41.4	Very low	49.1	Very low	131 Å²	131	89.6 Å²	89.6	92%	0.916	49%	0.493	S	S	*	.	S	Bend	trans	-56.5	-1.1	177	45.3	0	0	0	0	114.2	L42	L42-S44 PolarHBondContact O-N 3.23Å
45	V	32.2	Very low	47.5	Very low	120 Å²	120	89.1 Å²	89.1	73%	0.727	49%	0.494	S	S	*	.			trans	-147.7	91.5	171.9	-170.4	0	0	0	0	109.3	P43	P43-V45 PolarHBondContact O-N 2.83Å
46	V	31.3	Very low	45.7	Very low	82 Å²	82	94.6 Å²	94.6	50%	0.497	53%	0.53	S	S	.	.			trans	-85.9	131.1	159.9	179.9	0	0	0	0	107.3	L42 P43 K48	L42-V46 HydrophobicContact CD2-CG2 4.14Å; P43-V46 HydrophobicContact CG-CG2 3.59Å; V46-K48 PolarHBondContact O-N 2.87Å
47	P	31.8	Very low	43.9	Very low	117 Å²	117	99.4 Å²	99.4	76%	0.76	56%	0.557	S	S	*	*			trans	-67.1	109.5	175.2	-5.8	20.8	0	0	0	108.2
48	K	37.9	Very low	41.8	Very low	106 Å²	106	99.3 Å²	99.3	46%	0.461	56%	0.558	S	S	.	*			trans	-57.9	145	174.7	-76.7	-175.1	174.2	-171.3	0	109.5	V46 I51 A447 S448	V46-K48 PolarHBondContact O-N 2.87Å; K48-I51 HydrophobicContact CD-CD1 4.39Å; K48-A447 PolarHBondContact NZ-O 3.42Å; K48-S448 PolarHBondContact NZ-O 2.83Å
49	P	32.8	Very low	39.7	Very low	103 Å²	103	99.5 Å²	99.5	67%	0.669	57%	0.57	S	S	*	*			trans	-52.8	147.5	172.3	22.6	-31.5	0	0	0	109.6	I51	P49-I51 PolarHBondContact O-N 3.2Å
50	Q	32.9	Very low	37.8	Very low	191 Å²	191	105.9 Å²	105.9	89%	0.893	60%	0.599	S	S	*	*			trans	-47.2	108.1	-179.9	-81.8	-174.2	-29.1	0	0	109.6	I52	Q50-I52 PolarHBondContact O-N 2.82Å
51	I	39.2	Very low	36.3	Very low	76 Å²	76	104.1 Å²	104.1	39%	0.39	60%	0.597	S	S	.	*			trans	-70.2	99.5	177.6	-57.6	178.7	0	0	0	105	K48 P49 G53	K48-I51 HydrophobicContact CD-CD1 4.39Å; P49-I51 PolarHBondContact O-N 3.2Å; I51-G53 PolarHBondContact O-N 3.45Å
52	I	43	Very low	35.1	Very low	148 Å²	148	105.8 Å²	105.8	76%	0.759	61%	0.613	S	S	*	*			trans	-71.6	88.2	164	-57	171.8	0	0	0	104.2	Q50	Q50-I52 PolarHBondContact O-N 2.82Å
53	G	43.9	Very low	34.6	Very low	37 Å²	37	108.7 Å²	108.7	38%	0.381	62%	0.624	S	S	.	*	P	Polyproline II helix	trans	-53.8	149.9	164.5	0	0	0	0	0	108.7	I51	I51-G53 PolarHBondContact O-N 3.45Å
54	P	44.7	Very low	34.4	Very low	41 Å²	41	108.5 Å²	108.5	27%	0.266	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-50.8	136	-177.4	18.8	-30	0	0	0	109.9	I465	P54-I465 HydrophobicContact CB-CD1 4.07Å
55	P	40.9	Very low	33.6	Very low	55 Å²	55	108 Å²	108	36%	0.357	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-56.4	140.3	-178.1	21.3	-30.9	0	0	0	109.8	N57 I58	P55-N57 PolarHBondContact O-N 3.17Å; P55-I58 HydrophobicContact CG-CD1 3.97Å; P55-I58 HydrophobicContact CG-CG1 4.14Å
56	P	39.3	Very low	33.5	Very low	119 Å²	119	106.5 Å²	106.5	77%	0.773	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	126.9	178.6	23.7	-30.6	0	0	0	109.3
57	N	37.1	Very low	33.3	Very low	157 Å²	157	105.8 Å²	105.8	84%	0.84	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	74.7	57.5	172.4	-52.2	-29.4	0	0	0	117	P55	P55-N57 PolarHBondContact O-N 3.17Å
58	I	30.4	Very low	33.3	Very low	59 Å²	59	103.5 Å²	103.5	30%	0.303	57%	0.569	S	S	.	*			trans	-77	122.5	152.3	-56.9	175.3	0	0	0	106.9	P55 E60	P55-I58 HydrophobicContact CG-CD1 3.97Å; P55-I58 HydrophobicContact CG-CG1 4.14Å; I58-E60 PolarHBondContact O-N 2.99Å
59	P	27.7	Very low	32.8	Very low	110 Å²	110	103.3 Å²	103.3	71%	0.714	57%	0.57	S	S	*	*			trans	-56.7	130.3	174.7	-19.3	29.9	0	0	0	109.8	S61	P59-S61 PolarHBondContact O-N 3.45Å
60	E	29.1	Very low	32.6	Very low	157 Å²	157	101.3 Å²	101.3	73%	0.734	56%	0.556	S	S	*	*			trans	-53.3	111.6	172.2	-71.9	177.3	157.4	0	0	108.2	I58	I58-E60 PolarHBondContact O-N 2.99Å
61	S	26.8	Very low	32.3	Very low	87 Å²	87	94 Å²	94	61%	0.608	53%	0.525	S	S	*	.			trans	-74.7	132.8	166.9	61	0	0	0	0	107.6	P59 Q63	P59-S61 PolarHBondContact O-N 3.45Å; S61-Q63 PolarHBondContact O-N 2.96Å
62	D	24.9	Very low	31.7	Very low	172 Å²	172	93.2 Å²	93.2	92%	0.92	53%	0.531	S	S	*	.			trans	-66.5	54.9	176.4	-74.1	-42.4	0	0	0	112.2
63	Q	26.5	Very low	30.8	Very low	136 Å²	136	95.6 Å²	95.6	64%	0.636	54%	0.539	S	S	*	.			trans	-105.6	98.1	176.9	-70.3	-158.4	-27.6	0	0	111	S61	S61-Q63 PolarHBondContact O-N 2.96Å
64	D	29.7	Very low	29.9	Very low	75 Å²	75	100.9 Å²	100.9	40%	0.401	56%	0.557	S	S	.	*			trans	66.9	74.2	149.4	-109.3	-17.3	0	0	0	118.2	R66 K399	D64-R66 PolarHBondContact O-N 3.44Å; D64-R66 IonicContact OD1-NE 3.17Å; D64-R66 IonicContact OD1-NH2 3.84Å; D64-K399 IonicContact OD1-NZ 3.96Å; D64-K399 PolarHBondContact OD1-NZ 2.67Å; D64-K399 VanDerWaalsContact OD2-CD 3.23Å; D64-K399 WeakPolarHBondContact OD2-CD 3.41Å; D64-K399 WeakPolarHBondContact OD2-CE 3.3Å; D64-K399 IonicContact OD2-NZ 2.79Å; D64-K399 PolarHBondContact OD2-NZ 3.14Å
65	S	24	Very low	28.9	Very low	121 Å²	121	104.4 Å²	104.4	85%	0.846	58%	0.58	S	S	*	*			trans	-69.6	69.3	155.2	56.1	0	0	0	0	111.6
66	R	28.9	Very low	28.1	Very low	87 Å²	87	108.9 Å²	108.9	33%	0.328	60%	0.599	S	S	.	*			trans	-140.9	55	164.4	-77	-170.6	-76.2	176	9.6	110.3	D64 E339	D64-R66 PolarHBondContact O-N 3.44Å; D64-R66 IonicContact OD1-NE 3.17Å; D64-R66 IonicContact OD1-NH2 3.84Å; R66-E339 IonicContact CZ-OE1 3.81Å; R66-E339 IonicContact CZ-OE2 3.6Å; R66-E339 IonicContact NH1-OE1 3.1Å; R66-E339 IonicContact NH2-OE1 2.88Å; R66-E339 PolarHBondContact NH2-OE1 3.22Å; R66-E339 IonicContact NH2-OE2 2.71Å; R66-E339 PolarHBondContact NH2-OE2 2.95Å
67	Q	29	Very low	27.4	Very low	67 Å²	67	112.2 Å²	112.2	31%	0.313	60%	0.604	S	S	.	*			trans	-70.5	134.5	167.3	-67.6	-177.2	-19.8	0	0	108.8	Q69	Q67-Q69 HydrophobicContact CB-CG 4.09Å; Q67-Q69 PolarHBondContact O-N 3.47Å
68	I	30.8	Very low	26.9	Very low	69 Å²	69	110.4 Å²	110.4	35%	0.354	60%	0.599	S	S	.	*			trans	-66.4	80.1	151.5	-54.8	175.5	0	0	0	105	A344 L345	I68-A344 HydrophobicContact CD1-CB 4.31Å; I68-L345 HydrophobicContact CD1-CD2 3.74Å; I68-L345 HydrophobicContact CD1-CG 4.4Å; I68-L345 HydrophobicContact CG1-CD2 4.04Å
69	Q	28.4	Very low	26.9	Very low	103 Å²	103	115.5 Å²	115.5	48%	0.481	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-60.8	143	162.3	-72.8	-175.6	-35.1	0	0	106.7	Q67	Q67-Q69 HydrophobicContact CB-CG 4.09Å; Q67-Q69 PolarHBondContact O-N 3.47Å
70	P	27.9	Very low	27	Very low	60 Å²	60	114.9 Å²	114.9	39%	0.39	63%	0.631	S	S	.	*	S	Bend	trans	-47.8	119.5	150.1	-15.8	28	0	0	0	105.6	A72	P70-A72 PolarHBondContact O-N 3.08Å; P70-A72 VanDerWaalsContact O-N 3.12Å
71	P	26.7	Very low	27	Very low	37 Å²	37	114.9 Å²	114.9	24%	0.24	64%	0.635	C	S	.	*	P	Polyproline II helix	trans	-54.3	119.5	-153.9	16.2	-32.4	0	0	0	112	P163 F164 V165	P71-P163 HydrophobicContact CG-CB 4.22Å; P71-F164 HydrophobicContact CB-CB 3.81Å; P71-F164 HydrophobicContact CB-CD1 4.23Å; P71-F164 HydrophobicContact CB-CG 4.46Å; P71-F164 HydrophobicContact CG-CB 3.53Å; P71-F164 HydrophobicContact CG-CD1 4.35Å; P71-F164 HydrophobicContact CG-CG 4.45Å; P71-V165 HydrophobicContact CG-CG1 4.18Å; P71-V165 HydrophobicContact CG-CG2 4.37Å
72	A	25.8	Very low	27.1	Very low	61 Å²	61	119.2 Å²	119.2	50%	0.504	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-62.9	135.3	165.9	0	0	0	0	0	109.4	P70 I74	P70-A72 PolarHBondContact O-N 3.08Å; P70-A72 VanDerWaalsContact O-N 3.12Å; A72-I74 PolarHBondContact O-N 2.89Å; A72-I74 VanDerWaalsContact O-N 3.1Å
73	Q	24.3	Very low	27.4	Very low	197 Å²	197	118.9 Å²	118.9	92%	0.921	64%	0.644	S	S	*	*			trans	-56	110.6	-179.4	-69.4	177	-41.1	0	0	110.9
74	I	24.3	Very low	27.5	Very low	149 Å²	149	115.9 Å²	115.9	76%	0.764	64%	0.642	S	S	*	*			trans	-91.7	133	166.1	-57.3	174	0	0	0	107.4	A72 I76	A72-I74 PolarHBondContact O-N 2.89Å; A72-I74 VanDerWaalsContact O-N 3.1Å; I74-I76 PolarHBondContact O-N 3.32Å
75	P	23.9	Very low	27.4	Very low	115 Å²	115	118 Å²	118	75%	0.747	66%	0.659	S	S	*	*			trans	-59.3	137	178.5	-20.5	31.6	0	0	0	111.8	E77	P75-E77 PolarHBondContact O-N 2.68Å; P75-E77 VanDerWaalsContact O-N 3.1Å
76	I	24.7	Very low	27.8	Very low	149 Å²	149	121.2 Å²	121.2	76%	0.764	66%	0.657	S	S	*	*			trans	-64.3	107.4	177.7	-59.3	165.1	0	0	0	108.3	I74 T78	I74-I76 PolarHBondContact O-N 3.32Å; I76-T78 HydrophobicContact CG2-CG2 4.02Å; I76-T78 PolarHBondContact O-N 2.84Å; I76-T78 VanDerWaalsContact O-N 3.14Å
77	E	24.4	Very low	27.9	Very low	189 Å²	189	123 Å²	123	88%	0.883	68%	0.677	S	S	*	*			trans	-71.5	100.9	161.4	-89.4	-178.3	162.6	0	0	108.1	P75 D79	P75-E77 PolarHBondContact O-N 2.68Å; P75-E77 VanDerWaalsContact O-N 3.1Å; E77-D79 VanDerWaalsContact C-N 3.28Å; E77-D79 PolarHBondContact O-N 2.81Å
78	T	26.6	Very low	28	Very low	118 Å²	118	127.3 Å²	127.3	72%	0.724	70%	0.702	S	S	*	*			trans	-74.7	80.2	169	50.7	0	0	0	0	108.9	I76	I76-T78 HydrophobicContact CG2-CG2 4.02Å; I76-T78 PolarHBondContact O-N 2.84Å; I76-T78 VanDerWaalsContact O-N 3.14Å
79	D	31.2	Very low	28.2	Very low	166 Å²	166	128.2 Å²	128.2	89%	0.888	71%	0.71	S	S	*	*			trans	-164.5	57.1	162.7	-90.8	-25.7	0	0	0	110.8	E77	E77-D79 VanDerWaalsContact C-N 3.28Å; E77-D79 PolarHBondContact O-N 2.81Å
80	A	29.4	Very low	28.3	Very low	98 Å²	98	131.5 Å²	131.5	81%	0.81	73%	0.726	S	S	*	*			trans	-156.4	52.8	165.6	0	0	0	0	0	110.5
81	L	28	Very low	28.6	Very low	157 Å²	157	134.2 Å²	134.2	82%	0.822	74%	0.741	S	S	*	*			trans	-132.3	62	178.4	-146.3	125.5	0	0	0	110.6
82	E	30.4	Very low	29	Very low	177 Å²	177	138.2 Å²	138.2	83%	0.827	76%	0.76	S	S	*	*	S	Bend	trans	-145.4	3.7	169.5	-123.8	178.8	-166.3	0	0	118.3
83	N	29.6	Very low	29.5	Very low	166 Å²	166	141.1 Å²	141.1	89%	0.888	77%	0.774	S	S	*	*			trans	-136.1	19.6	-177.3	-85.8	-35.9	0	0	0	118	T85	N83-T85 PolarHBondContact O-N 2.98Å
84	A	28.8	Very low	30.3	Very low	72 Å²	72	136.9 Å²	136.9	60%	0.595	76%	0.756	S	S	*	*			trans	-99	73.3	173	0	0	0	0	0	111.5
85	T	28.2	Very low	31	Very low	121 Å²	121	133.5 Å²	133.5	74%	0.742	75%	0.746	S	S	*	*			trans	-117.4	124.6	167.3	-24.7	0	0	0	0	110.1	N83	N83-T85 PolarHBondContact O-N 2.98Å
86	K	31.8	Very low	32.1	Very low	188 Å²	188	137.8 Å²	137.8	82%	0.817	76%	0.756	S	S	*	*			trans	81.4	78.7	167.7	-58	-179.4	177.8	175.9	0	117.4
87	V	32.3	Very low	33	Very low	123 Å²	123	139 Å²	139	75%	0.745	76%	0.756	S	S	*	*			trans	-119.3	103.5	136.7	-178.7	0	0	0	0	106.9	T89	V87-T89 PolarHBondContact O-N 2.99Å; V87-T89 VanDerWaalsContact O-N 3.14Å
88	L	30	Very low	34.3	Very low	159 Å²	159	133.6 Å²	133.6	83%	0.832	73%	0.733	S	S	*	*			trans	-71.2	100.3	168.6	-109.9	121.9	0	0	0	106.7	Q90	L88-Q90 PolarHBondContact O-N 2.9Å
89	T	35.4	Very low	35.5	Very low	87 Å²	87	130.7 Å²	130.7	53%	0.534	72%	0.715	S	S	.	*			trans	-64.2	105.3	166.2	28.3	0	0	0	0	107.8	V87 T91	V87-T89 PolarHBondContact O-N 2.99Å; V87-T89 VanDerWaalsContact O-N 3.14Å; T89-T91 PolarHBondContact O-N 3.32Å
90	Q	30.3	Very low	36.6	Very low	173 Å²	173	127.3 Å²	127.3	81%	0.808	71%	0.705	S	S	*	*			trans	-62.4	99.6	167.4	-75.1	178.4	-16	0	0	107.6	L88 L92	L88-Q90 PolarHBondContact O-N 2.9Å; Q90-L92 PolarHBondContact O-N 3.11Å
91	T	34	Very low	38.6	Very low	116 Å²	116	123.1 Å²	123.1	71%	0.712	67%	0.669	S	S	*	*			trans	-63.5	103.9	165.6	42.3	0	0	0	0	107.4	T89	T89-T91 PolarHBondContact O-N 3.32Å
92	L	36.2	Very low	40.7	Very low	121 Å²	121	118.6 Å²	118.6	63%	0.634	65%	0.654	S	S	*	*			trans	-56.1	128	168.6	-76	163.4	0	0	0	107.8	Q90 I94	Q90-L92 PolarHBondContact O-N 3.11Å; L92-I94 PolarHBondContact O-N 3.35Å
93	P	35	Very low	42.9	Very low	122 Å²	122	111.8 Å²	111.8	79%	0.792	63%	0.628	S	S	*	*			trans	-63.1	115.6	177.7	23.4	-29.8	0	0	0	108.5	S95	P93-S95 PolarHBondContact O-N 3.35Å; P93-S95 VanDerWaalsContact O-N 3.1Å
94	I	42.6	Very low	45.7	Very low	108 Å²	108	103.9 Å²	103.9	55%	0.554	59%	0.586	S	S	*	*			trans	-63.3	113	170.5	-58.2	172.1	0	0	0	105.6	L92 E96 T237 A240	L92-I94 PolarHBondContact O-N 3.35Å; I94-E96 PolarHBondContact O-N 2.9Å; I94-T237 HydrophobicContact CD1-CG2 4.32Å; I94-A240 HydrophobicContact CD1-CB 4.41Å
95	S	38.9	Very low	48.5	Very low	78 Å²	78	104.4 Å²	104.4	55%	0.545	58%	0.579	S	S	.	*			trans	-47.2	123.5	176	167.2	0	0	0	0	110.2	P93 K97	P93-S95 PolarHBondContact O-N 3.35Å; P93-S95 VanDerWaalsContact O-N 3.1Å; S95-K97 CarbonylContact O-C 3.54Å; S95-K97 PolarHBondContact O-N 3.48Å; S95-K97 VanDerWaalsContact O-N 3.09Å; S95-K97 PolarHBondContact OG-N 2.9Å; S95-K97 PolarHBondContact OG-O 2.85Å
96	E	46.7	Very low	51.4	Low	205 Å²	205	103.3 Å²	103.3	96%	0.958	57%	0.568	S	S	*	*	S	Bend	trans	-58.4	-22.5	176.8	-76.5	-175.7	164.9	0	0	112.5	I94	I94-E96 PolarHBondContact O-N 2.9Å
97	K	43.8	Very low	54.4	Low	176 Å²	176	96.2 Å²	96.2	77%	0.765	55%	0.549	S	S	*	.	S	Bend	trans	-91.7	105.7	166.3	-75.4	-176.9	178.6	178.5	0	109	S95	S95-K97 CarbonylContact O-C 3.54Å; S95-K97 PolarHBondContact O-N 3.48Å; S95-K97 VanDerWaalsContact O-N 3.09Å; S95-K97 PolarHBondContact OG-N 2.9Å; S95-K97 PolarHBondContact OG-O 2.85Å
98	L	52	Low	57.4	Low	75 Å²	75	94.3 Å²	94.3	39%	0.393	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-48.9	122.7	162.1	-86.9	149	0	0	0	108.3	P233 L236	L98-P233 HydrophobicContact CD1-CB 4.43Å; L98-L236 HydrophobicContact CD2-CD2 3.37Å; L98-L236 HydrophobicContact CD2-CG 4.49Å
99	P	51	Low	60.5	Low	56 Å²	56	91.5 Å²	91.5	36%	0.364	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-58.7	159.4	178.6	17	-23.7	0	0	0	110.8	I101 T298	P99-I101 PolarHBondContact O-N 2.88Å; P99-T298 VanDerWaalsContact CG-C 3.49Å; P99-T298 WeakPolarHBondContact CG-O 3.32Å
100	S	54.8	Low	63.4	Low	96 Å²	96	89.2 Å²	89.2	67%	0.671	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-56.9	128.5	173	65.6	0	0	0	0	108.6	A102	S100-A102 PolarHBondContact O-N 3.45Å
101	I	70.1	Confident	66.5	Low	9 Å²	9	83.7 Å²	83.7	5%	0.046	49%	0.487	C	S	.	.			trans	-76.3	65.9	-178.4	-51.9	171.9	0	0	0	107.9	P99 A103 F104 N105 L297 L578	P99-I101 PolarHBondContact O-N 2.88Å; I101-A103 PolarHBondContact O-N 3Å; I101-F104 HydrophobicContact CG2-CB 3.84Å; I101-F104 HydrophobicContact CG2-CD2 3.72Å; I101-F104 HydrophobicContact CG2-CG 4.23Å; I101-F104 CarbonylContact O-C 3.55Å; I101-F104 PolarHBondContact O-N 3.39Å; I101-N105 PolarHBondContact O-N 3.39Å; I101-N105 PolarHBondContact O-OD1 2.94Å; I101-L297 HydrophobicContact CD1-CD2 4.48Å; I101-L297 HydrophobicContact CG2-CD2 3.93Å; I101-L578 HydrophobicContact CD1-CB 4.31Å; I101-L578 HydrophobicContact CG2-CB 4.49Å; I101-L578 HydrophobicContact CG2-CD1 4.46Å
102	A	73	Confident	69.3	Low	63 Å²	63	85 Å²	85	52%	0.521	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-58.2	-36.3	-168	0	0	0	0	0	112	S100 F104 N105	S100-A102 PolarHBondContact O-N 3.45Å; A102-F104 PolarHBondContact O-N 3.47Å; A102-N105 PolarHBondContact O-N 3.28Å
103	A	75.7	Confident	72.1	Confident	34 Å²	34	83.2 Å²	83.2	28%	0.281	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-61.5	-24.8	177.5	0	0	0	0	0	113.8	I101 E296	I101-A103 PolarHBondContact O-N 3Å; A103-E296 HydrophobicContact CB-CB 3.92Å; A103-E296 HydrophobicContact CB-CG 4.02Å
104	F	88.6	Confident	75.1	Confident	0 Å²	0	78 Å²	78	0%	0	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-120.3	30.7	-176.5	-62.5	-86.3	0	0	0	112.9	I101 A102 Y293 E296 P571 Q573 V576 K577 L578	I101-F104 HydrophobicContact CG2-CB 3.84Å; I101-F104 HydrophobicContact CG2-CD2 3.72Å; I101-F104 HydrophobicContact CG2-CG 4.23Å; I101-F104 CarbonylContact O-C 3.55Å; I101-F104 PolarHBondContact O-N 3.39Å; A102-F104 PolarHBondContact O-N 3.47Å; F104-Y293 HydrophobicContact CD2-CE2 4.23Å; F104-Y293 HydrophobicContact CE1-CE2 4.26Å; F104-Y293 AromaticContact CE2-CD2 3.73Å; F104-Y293 HydrophobicContact CE2-CD2 3.73Å; F104-Y293 AromaticContact CE2-CE2 3.37Å; F104-Y293 HydrophobicContact CE2-CE2 3.37Å; F104-Y293 AromaticContact CZ-CD2 3.7Å; F104-Y293 HydrophobicContact CZ-CD2 3.7Å; F104-Y293 AromaticContact CZ-CE2 3.38Å; F104-Y293 HydrophobicContact CZ-CE2 3.38Å; F104-E296 HydrophobicContact CE2-CB 3.99Å; F104-E296 VanDerWaalsContact CE2-OE2 3.29Å; F104-E296 WeakPolarHBondContact CE2-OE2 3.28Å; F104-E296 WeakPolarHBondContact CZ-OE2 3.5Å; F104-P571 HydrophobicContact CD1-CB 4.37Å; F104-P571 HydrophobicContact CD1-CG 4.21Å; F104-P571 HydrophobicContact CE1-CB 3.81Å; F104-P571 HydrophobicContact CE1-CG 3.49Å; F104-P571 VanDerWaalsContact CE1-CG 3.49Å; F104-P571 HydrophobicContact CZ-CG 3.87Å; F104-Q573 HydrophobicContact CZ-CG 4.38Å; F104-V576 WeakPolarHBondContact CD1-O 3.34Å; F104-K577 CarbonylContact O-C 3.41Å; F104-K577 VanDerWaalsContact O-CA 3.28Å; F104-K577 WeakPolarHBondContact O-CA 3.49Å; F104-K577 WeakPolarHBondContact O-CG 2.87Å; F104-L578 HydrophobicContact CB-CB 3.88Å; F104-L578 HydrophobicContact CB-CD1 3.97Å; F104-L578 HydrophobicContact CB-CG 3.78Å; F104-L578 HydrophobicContact CD1-CD1 4.23Å; F104-L578 HydrophobicContact CD1-CG 4.35Å; F104-L578 HydrophobicContact CD2-CD1 4.06Å; F104-L578 HydrophobicContact CG-CD1 3.8Å; F104-L578 HydrophobicContact CG-CG 4.05Å; F104-L578 PolarHBondContact O-N 3.22Å
105	N	87.9	Confident	77.7	Confident	83 Å²	83	73.3 Å²	73.3	44%	0.444	41%	0.412	S	S	.	.	S	Bend	trans	-77.9	-22.5	172.9	-80.5	-22.4	0	0	0	113.6	I101 A102 K577	I101-N105 PolarHBondContact O-N 3.39Å; I101-N105 PolarHBondContact O-OD1 2.94Å; A102-N105 PolarHBondContact O-N 3.28Å; N105-K577 WeakPolarHBondContact O-CD 3.42Å; N105-K577 WeakPolarHBondContact O-CE 3.43Å
106	N	90.1	Very high	80.5	Confident	97 Å²	97	70 Å²	70	52%	0.519	39%	0.388	S	S	.	.	S	Bend	trans	-98	166.8	-178.9	-65.6	-27.4	0	0	0	111.5	N574 V576 K577	N106-N574 HydrophobicContact CB-CB 4.49Å; N106-V576 CarbonylContact O-C 3.58Å; N106-V576 VanDerWaalsContact O-O 3.13Å; N106-K577 WeakPolarHBondContact O-CA 3.4Å; N106-K577 WeakPolarHBondContact O-CB 3.43Å; N106-K577 PolarHBondContact O-N 3.4Å
107	G	93.7	Very high	82.9	Confident	39 Å²	39	60.2 Å²	60.2	40%	0.402	34%	0.343	S	S	.	.	S	Bend	trans	89.1	-165.3	-177.5	0	0	0	0	0	113	N574 K575	G107-N574 WeakPolarHBondContact CA-O 3.23Å; G107-N574 PolarHBondContact N-O 3.08Å; G107-K575 CarbonylContact C-O 3.58Å; G107-K575 VanDerWaalsContact CA-O 3.28Å; G107-K575 WeakPolarHBondContact CA-O 3.45Å
108	T	95.2	Very high	85.4	Confident	84 Å²	84	51.9 Å²	51.9	52%	0.515	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	149.4	179.9	58.5	0	0	0	0	111.2	R560 K575 K577	T108-R560 PolarHBondContact O-NH2 3.37Å; T108-R560 VanDerWaalsContact OG1-CZ 3.25Å; T108-R560 PolarHBondContact OG1-NH1 3.05Å; T108-R560 PolarHBondContact OG1-NH2 3.03Å; T108-K575 PolarHBondContact N-O 2.83Å; T108-K577 PolarHBondContact O-N 3.25Å
109	L	95.5	Very high	87.5	Confident	100 Å²	100	53.9 Å²	53.9	52%	0.524	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	146.6	176.7	-65.1	174.5	0	0	0	110.9	S111 K577 T579	L109-S111 PolarHBondContact O-N 3.11Å; L109-K577 HydrophobicContact CD2-CB 4.19Å; L109-K577 HydrophobicContact CD2-CD 4.1Å; L109-K577 HydrophobicContact CD2-CG 4.01Å; L109-T579 HydrophobicContact CD2-CG2 3.66Å
110	I	95.9	Very high	89.6	Confident	39 Å²	39	51.9 Å²	51.9	20%	0.2	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-65.2	123.5	171.9	-55.7	168.8	0	0	0	108.4	I115 T228 W561 V576 L578	I110-I115 HydrophobicContact CG2-CB 4.34Å; I110-I115 HydrophobicContact CG2-CD1 3.8Å; I110-I115 HydrophobicContact CG2-CG1 4.06Å; I110-I115 HydrophobicContact CG2-CG2 3.39Å; I110-T228 HydrophobicContact CD1-CG2 3.92Å; I110-W561 HydrophobicContact CD1-CH2 3.69Å; I110-W561 HydrophobicContact CD1-CZ2 4.06Å; I110-W561 HydrophobicContact CG1-CH2 4.15Å; I110-W561 HydrophobicContact CG1-CZ2 4.01Å; I110-W561 HydrophobicContact CG2-CZ2 4.1Å; I110-V576 HydrophobicContact CD1-CG1 3.79Å; I110-V576 HydrophobicContact CG1-CG1 3.41Å; I110-V576 VanDerWaalsContact CG1-CG1 3.41Å; I110-L578 HydrophobicContact CD1-CD2 3.51Å; I110-L578 HydrophobicContact CG1-CD2 4.39Å
111	S	95.5	Very high	91.3	Very high	56 Å²	56	53.7 Å²	53.7	39%	0.392	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-90.4	156.5	174.4	76.4	0	0	0	0	111.3	L109 E113 E114 I115	L109-S111 PolarHBondContact O-N 3.11Å; S111-E113 PolarHBondContact O-N 3.36Å; S111-E114 PolarHBondContact N-OE2 2.92Å; S111-E114 VanDerWaalsContact O-CB 3.32Å; S111-E114 WeakPolarHBondContact O-CB 3.38Å; S111-E114 PolarHBondContact O-N 3.35Å; S111-E114 VanDerWaalsContact O-N 3.1Å; S111-E114 WeakPolarHBondContact OG-CB 3.41Å; S111-E114 PolarHBondContact OG-N 2.74Å; S111-E114 VanDerWaalsContact OG-N 3.13Å; S111-I115 PolarHBondContact O-N 3.35Å
112	K	94.2	Very high	92.5	Very high	144 Å²	144	54 Å²	54	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-61.6	-35.5	173.5	-172.1	175.4	-179.1	179.7	0	112.2	E114 I115 Q116 G117	K112-E114 PolarHBondContact O-N 3.35Å; K112-I115 PolarHBondContact O-N 3.32Å; K112-Q116 VanDerWaalsContact CE-OE1 3.31Å; K112-Q116 HydrophobicContact CG-CB 4.24Å; K112-Q116 WeakPolarHBondContact O-CA 3.45Å; K112-Q116 PolarHBondContact O-N 3.38Å; K112-G117 PolarHBondContact O-N 3.49Å
113	E	94.8	Very high	93.5	Very high	84 Å²	84	59.1 Å²	59.1	39%	0.393	32%	0.321	S	S	.	.	H	α-helix	trans	-59.8	-36	175.1	-179.1	56.3	-149.3	0	0	111.5	S111 I115 G117 G118 T554	S111-E113 PolarHBondContact O-N 3.36Å; E113-I115 PolarHBondContact O-N 3.06Å; E113-G117 WeakPolarHBondContact O-CA 3.4Å; E113-G117 PolarHBondContact O-N 3.11Å; E113-G118 PolarHBondContact OE1-N 2.75Å; E113-T554 PolarHBondContact OE1-OG1 3.38Å
114	E	96.8	Very high	94.4	Very high	11 Å²	11	59 Å²	59	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-70.9	-28.6	-177.9	-175.1	-178.1	165.1	0	0	114.2	S111 K112 T554 L556 P557 R560 W561	S111-E114 PolarHBondContact N-OE2 2.92Å; S111-E114 VanDerWaalsContact O-CB 3.32Å; S111-E114 WeakPolarHBondContact O-CB 3.38Å; S111-E114 PolarHBondContact O-N 3.35Å; S111-E114 VanDerWaalsContact O-N 3.1Å; S111-E114 WeakPolarHBondContact OG-CB 3.41Å; S111-E114 PolarHBondContact OG-N 2.74Å; S111-E114 VanDerWaalsContact OG-N 3.13Å; K112-E114 PolarHBondContact O-N 3.35Å; E114-T554 WeakPolarHBondContact CA-O 3.12Å; E114-L556 PolarHBondContact O-N 2.91Å; E114-P557 HydrophobicContact CG-CG 4.41Å; E114-R560 IonicContact OE1-CZ 3.77Å; E114-R560 IonicContact OE1-NE 2.67Å; E114-R560 PolarHBondContact OE1-NE 3.31Å; E114-R560 IonicContact OE1-NH2 2.81Å; E114-R560 PolarHBondContact OE1-NH2 3.42Å; E114-R560 IonicContact OE2-CZ 2.7Å; E114-R560 IonicContact OE2-NE 3.82Å; E114-R560 PolarHBondContact OE2-NE 2.8Å; E114-R560 IonicContact OE2-NH2 3.89Å; E114-R560 PolarHBondContact OE2-NH2 3.08Å; E114-W561 WeakPolarHBondContact OE1-CZ2 3.49Å; E114-W561 PolarHBondContact OE1-NE1 3.22Å
115	I	97.6	Very high	94.8	Very high	10 Å²	10	59 Å²	59	5%	0.051	32%	0.317	C	S	.	.	H	α-helix	trans	-120.1	-9.6	-174	59.6	173.8	0	0	0	114.2	I110 S111 K112 E113 Y183 I184 F229 L555 L556 W561	I110-I115 HydrophobicContact CG2-CB 4.34Å; I110-I115 HydrophobicContact CG2-CD1 3.8Å; I110-I115 HydrophobicContact CG2-CG1 4.06Å; I110-I115 HydrophobicContact CG2-CG2 3.39Å; S111-I115 PolarHBondContact O-N 3.35Å; K112-I115 PolarHBondContact O-N 3.32Å; E113-I115 PolarHBondContact O-N 3.06Å; I115-Y183 HydrophobicContact CD1-CE1 3.67Å; I115-Y183 HydrophobicContact CG1-CE1 4.18Å; I115-I184 WeakPolarHBondContact O-CA 3.49Å; I115-F229 HydrophobicContact CB-CD1 4.16Å; I115-F229 HydrophobicContact CB-CE1 4.31Å; I115-F229 HydrophobicContact CB-CG 4.5Å; I115-F229 HydrophobicContact CD1-CB 4.07Å; I115-F229 HydrophobicContact CD1-CD1 4.28Å; I115-F229 HydrophobicContact CD1-CG 4.36Å; I115-F229 HydrophobicContact CG2-CD1 3.64Å; I115-F229 HydrophobicContact CG2-CE1 3.59Å; I115-F229 HydrophobicContact CG2-CG 4.45Å; I115-F229 HydrophobicContact CG2-CZ 4.35Å; I115-L555 VanDerWaalsContact C-CD1 3.49Å; I115-L556 HydrophobicContact CG2-CD2 4.15Å; I115-W561 HydrophobicContact CG2-CH2 4.42Å; I115-W561 HydrophobicContact CG2-CZ2 3.91Å
116	Q	97.7	Very high	95.3	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-142.3	1.7	178.4	-66.5	-168	-53	0	0	113	K112 Y183 N186 N188	K112-Q116 VanDerWaalsContact CE-OE1 3.31Å; K112-Q116 HydrophobicContact CG-CB 4.24Å; K112-Q116 WeakPolarHBondContact O-CA 3.45Å; K112-Q116 PolarHBondContact O-N 3.38Å; Q116-Y183 HydrophobicContact CG-CD1 3.86Å; Q116-Y183 HydrophobicContact CG-CE1 3.69Å; Q116-Y183 WeakPolarHBondContact CG-O 3.47Å; Q116-Y183 PolarHBondContact NE2-O 2.96Å; Q116-N186 PolarHBondContact O-ND2 2.76Å; Q116-N188 PolarHBondContact NE2-ND2 3.19Å; Q116-N188 PolarHBondContact NE2-OD1 3.41Å
117	G	96.9	Very high	95.7	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.01	31%	0.308	C	S	.	.			trans	-96.6	-133.2	179.3	0	0	0	0	0	112.9	K112 E113 R129	K112-G117 PolarHBondContact O-N 3.49Å; E113-G117 WeakPolarHBondContact O-CA 3.4Å; E113-G117 PolarHBondContact O-N 3.11Å; G117-R129 PolarHBondContact O-NH2 2.93Å
118	G	96.1	Very high	95.9	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.291	C	S	.	.			trans	68.6	37.2	-176.2	0	0	0	0	0	112.9	E113 P120 S551 E552 T554	E113-G118 PolarHBondContact OE1-N 2.75Å; G118-P120 WeakPolarHBondContact O-CD 3.5Å; G118-S551 WeakPolarHBondContact O-CA 3.5Å; G118-S551 WeakPolarHBondContact O-CB 3.37Å; G118-E552 PolarHBondContact O-N 3.3Å; G118-T554 WeakPolarHBondContact CA-OG1 3.46Å
119	F	96.6	Very high	96	Very high	117 Å²	117	50.1 Å²	50.1	51%	0.513	27%	0.267	S	S	.	.			trans	-68.5	122	179.5	-66.9	-83	0	0	0	110.4	E552	F119-E552 WeakPolarHBondContact O-CG 3.35Å
120	P	95.3	Very high	96.2	Very high	15 Å²	15	49.3 Å²	49.3	10%	0.097	26%	0.263	C	S	.	.			trans	-63.4	137.7	178.8	-22.6	35	0	0	0	112	G118 N122 V125 A126 F550 E552	G118-P120 WeakPolarHBondContact O-CD 3.5Å; P120-N122 VanDerWaalsContact C-N 3.34Å; P120-V125 HydrophobicContact CB-CB 3.89Å; P120-V125 HydrophobicContact CB-CG1 3.65Å; P120-V125 HydrophobicContact CG-CB 4.37Å; P120-V125 HydrophobicContact CG-CG1 3.7Å; P120-A126 HydrophobicContact CB-CB 4.21Å; P120-A126 HydrophobicContact CG-CB 4.42Å; P120-F550 WeakPolarHBondContact CG-O 3.48Å; P120-E552 WeakPolarHBondContact CA-OE1 3.42Å
121	V	91.2	Very high	96.3	Very high	134 Å²	134	50.3 Å²	50.3	81%	0.812	27%	0.266	S	S	*	.	S	Bend	trans	-73.4	-33.3	172.1	-179.9	0	0	0	0	110.7	E123	V121-E123 PolarHBondContact O-N 2.64Å
122	N	93.8	Very high	96.5	Very high	16 Å²	16	47.6 Å²	47.6	9%	0.086	25%	0.247	C	C	.	.	S	Bend	trans	-75.2	122.9	177.3	-179.2	-79	0	0	0	110.5	E36 P120 T124 V125 A126	E36-N122 PolarHBondContact OE1-ND2 3.38Å; P120-N122 VanDerWaalsContact C-N 3.34Å; N122-T124 VanDerWaalsContact C-N 3.34Å; N122-T124 PolarHBondContact O-N 2.93Å; N122-T124 WeakPolarHBondContact OD1-CA 3.23Å; N122-T124 VanDerWaalsContact OD1-CB 3.24Å; N122-T124 WeakPolarHBondContact OD1-CB 3.47Å; N122-T124 PolarHBondContact OD1-N 2.98Å; N122-V125 HydrophobicContact CB-CB 4.12Å; N122-V125 HydrophobicContact CB-CG2 3.9Å; N122-V125 PolarHBondContact O-N 3.15Å; N122-V125 WeakPolarHBondContact OD1-CG2 2.9Å; N122-V125 PolarHBondContact OD1-N 2.81Å; N122-A126 WeakPolarHBondContact O-CB 3.23Å; N122-A126 PolarHBondContact O-N 2.65Å
123	E	94.7	Very high	96.7	Very high	170 Å²	170	44.9 Å²	44.9	79%	0.794	23%	0.233	S	C	*	.	H	α-helix	trans	-63.7	-36.2	-176.1	-64.6	-176.7	175.1	0	0	113	V121 A126 S127	V121-E123 PolarHBondContact O-N 2.64Å; E123-A126 PolarHBondContact O-N 3.24Å; E123-S127 WeakPolarHBondContact O-CB 3.26Å; E123-S127 PolarHBondContact O-N 3.47Å
124	T	95.1	Very high	96.9	Very high	32 Å²	32	44.3 Å²	44.3	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-64	-46.8	176.2	-55.3	0	0	0	0	110.6	F35 E36 I39 N122 A126 S127 I128	F35-T124 HydrophobicContact CE1-CG2 4.19Å; E36-T124 PolarHBondContact OE1-OG1 2.84Å; I39-T124 HydrophobicContact CG2-CG2 4.29Å; N122-T124 VanDerWaalsContact C-N 3.34Å; N122-T124 PolarHBondContact O-N 2.93Å; N122-T124 WeakPolarHBondContact OD1-CA 3.23Å; N122-T124 VanDerWaalsContact OD1-CB 3.24Å; N122-T124 WeakPolarHBondContact OD1-CB 3.47Å; N122-T124 PolarHBondContact OD1-N 2.98Å; T124-A126 VanDerWaalsContact C-N 3.35Å; T124-S127 PolarHBondContact O-N 3.18Å; T124-I128 HydrophobicContact CG2-CD1 4.29Å; T124-I128 WeakPolarHBondContact O-CG1 3.23Å; T124-I128 PolarHBondContact O-N 3.34Å; T124-I128 VanDerWaalsContact O-N 3.08Å
125	V	97.2	Very high	97	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-42.2	176.3	-179.8	0	0	0	0	110.7	F35 P120 N122 S127 I128 R129 F550	F35-V125 HydrophobicContact CD1-CG2 3.8Å; F35-V125 HydrophobicContact CE1-CB 4.45Å; F35-V125 HydrophobicContact CE1-CG2 3.33Å; F35-V125 HydrophobicContact CZ-CG2 4.03Å; P120-V125 HydrophobicContact CB-CB 3.89Å; P120-V125 HydrophobicContact CB-CG1 3.65Å; P120-V125 HydrophobicContact CG-CB 4.37Å; P120-V125 HydrophobicContact CG-CG1 3.7Å; N122-V125 HydrophobicContact CB-CB 4.12Å; N122-V125 HydrophobicContact CB-CG2 3.9Å; N122-V125 PolarHBondContact O-N 3.15Å; N122-V125 WeakPolarHBondContact OD1-CG2 2.9Å; N122-V125 PolarHBondContact OD1-N 2.81Å; V125-S127 PolarHBondContact O-N 3.43Å; V125-I128 PolarHBondContact O-N 3.5Å; V125-R129 WeakPolarHBondContact O-CB 3.32Å; V125-R129 PolarHBondContact O-N 3.46Å; V125-F550 HydrophobicContact CG1-CB 4.11Å; V125-F550 HydrophobicContact CG1-CD1 4.3Å; V125-F550 VanDerWaalsContact CG1-O 3.29Å; V125-F550 WeakPolarHBondContact CG1-O 3.44Å
126	A	97.6	Very high	97	Very high	25 Å²	25	43.3 Å²	43.3	21%	0.207	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-44	176.9	0	0	0	0	0	111.9	P120 N122 E123 T124 I128 R129 D130	P120-A126 HydrophobicContact CB-CB 4.21Å; P120-A126 HydrophobicContact CG-CB 4.42Å; N122-A126 WeakPolarHBondContact O-CB 3.23Å; N122-A126 PolarHBondContact O-N 2.65Å; E123-A126 PolarHBondContact O-N 3.24Å; T124-A126 VanDerWaalsContact C-N 3.35Å; A126-I128 PolarHBondContact O-N 3.47Å; A126-R129 WeakPolarHBondContact O-CB 3.36Å; A126-R129 PolarHBondContact O-N 3.49Å; A126-D130 PolarHBondContact O-N 3.4Å
127	S	98.2	Very high	97.1	Very high	81 Å²	81	47.3 Å²	47.3	57%	0.566	24%	0.243	S	C	*	.	H	α-helix	trans	-60.9	-42.5	175.9	-178	0	0	0	0	112.4	E123 T124 V125 D130 K131	E123-S127 WeakPolarHBondContact O-CB 3.26Å; E123-S127 PolarHBondContact O-N 3.47Å; T124-S127 PolarHBondContact O-N 3.18Å; V125-S127 PolarHBondContact O-N 3.43Å; S127-D130 PolarHBondContact O-N 3.1Å; S127-K131 PolarHBondContact O-N 2.93Å
128	I	98.1	Very high	97.2	Very high	6 Å²	6	49.2 Å²	49.2	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-43.9	176.5	-66.2	166.3	0	0	0	111.1	F35 I39 T124 V125 A126 D130 K131 V132 W501 F550	F35-I128 HydrophobicContact CE1-CD1 4.25Å; F35-I128 HydrophobicContact CZ-CD1 3.82Å; I39-I128 HydrophobicContact CD1-CD1 3.57Å; T124-I128 HydrophobicContact CG2-CD1 4.29Å; T124-I128 WeakPolarHBondContact O-CG1 3.23Å; T124-I128 PolarHBondContact O-N 3.34Å; T124-I128 VanDerWaalsContact O-N 3.08Å; V125-I128 PolarHBondContact O-N 3.5Å; A126-I128 PolarHBondContact O-N 3.47Å; I128-D130 VanDerWaalsContact C-N 3.29Å; I128-D130 PolarHBondContact O-N 2.93Å; I128-K131 WeakPolarHBondContact O-CB 3.42Å; I128-K131 PolarHBondContact O-N 3.32Å; I128-K131 VanDerWaalsContact O-N 3.11Å; I128-V132 PolarHBondContact O-N 3.15Å; I128-W501 HydrophobicContact CB-CE3 4.23Å; I128-W501 HydrophobicContact CB-CZ3 4.31Å; I128-W501 HydrophobicContact CD1-CD2 4.01Å; I128-W501 HydrophobicContact CD1-CE3 4.21Å; I128-W501 HydrophobicContact CD1-CG 4.2Å; I128-W501 HydrophobicContact CG1-CD2 4.1Å; I128-W501 HydrophobicContact CG1-CE3 3.89Å; I128-W501 HydrophobicContact CG1-CH2 4.34Å; I128-W501 HydrophobicContact CG1-CZ3 4Å; I128-W501 HydrophobicContact CG2-CD2 4.22Å; I128-W501 HydrophobicContact CG2-CE3 3.38Å; I128-W501 HydrophobicContact CG2-CZ3 3.71Å; I128-F550 HydrophobicContact CB-CD1 4.31Å; I128-F550 HydrophobicContact CB-CG 4.32Å; I128-F550 HydrophobicContact CD1-CE1 4.34Å; I128-F550 HydrophobicContact CG2-CB 4.47Å; I128-F550 HydrophobicContact CG2-CD1 3.79Å; I128-F550 HydrophobicContact CG2-CD2 3.41Å; I128-F550 VanDerWaalsContact CG2-CD2 3.41Å; I128-F550 HydrophobicContact CG2-CE1 3.78Å; I128-F550 HydrophobicContact CG2-CE2 3.45Å; I128-F550 VanDerWaalsContact CG2-CE2 3.45Å; I128-F550 HydrophobicContact CG2-CG 3.63Å; I128-F550 HydrophobicContact CG2-CZ 3.64Å
129	R	98.4	Very high	97.3	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.011	25%	0.251	C	S	.	.	H	α-helix	trans	-58	-42.7	175	-178.7	-178.5	175	-94.7	16	111.6	G117 V125 A126 K131 V132 R133 Y547 F550 S551	G117-R129 PolarHBondContact O-NH2 2.93Å; V125-R129 WeakPolarHBondContact O-CB 3.32Å; V125-R129 PolarHBondContact O-N 3.46Å; A126-R129 WeakPolarHBondContact O-CB 3.36Å; A126-R129 PolarHBondContact O-N 3.49Å; R129-K131 VanDerWaalsContact C-N 3.34Å; R129-V132 PolarHBondContact O-N 2.96Å; R129-R133 PolarHBondContact O-N 3.35Å; R129-Y547 HydrophobicContact CG-CD2 3.61Å; R129-Y547 HydrophobicContact CG-CE2 3.42Å; R129-Y547 VanDerWaalsContact CG-CE2 3.42Å; R129-Y547 HydrophobicContact CG-CG 4.37Å; R129-Y547 PolarHBondContact NH1-OH 3.44Å; R129-Y547 PolarHBondContact NH2-OH 2.97Å; R129-F550 HydrophobicContact CB-CB 3.93Å; R129-F550 WeakPolarHBondContact CD-O 3.22Å; R129-S551 WeakPolarHBondContact CD-OG 3.36Å; R129-S551 PolarHBondContact NE-OG 3.2Å
130	D	98.5	Very high	97.4	Very high	83 Å²	83	44 Å²	44	44%	0.444	23%	0.228	S	C	.	.	H	α-helix	trans	-67.1	-34.4	175.9	-77.5	-17	0	0	0	112.3	A126 S127 I128 R133 E134	A126-D130 PolarHBondContact O-N 3.4Å; S127-D130 PolarHBondContact O-N 3.1Å; I128-D130 VanDerWaalsContact C-N 3.29Å; I128-D130 PolarHBondContact O-N 2.93Å; D130-R133 PolarHBondContact O-N 2.91Å; D130-E134 PolarHBondContact O-N 2.98Å
131	K	98.6	Very high	97.6	Very high	60 Å²	60	46.7 Å²	46.7	26%	0.261	24%	0.241	S	C	.	.	H	α-helix	trans	-61.1	-47	171.1	177.7	57.8	-176.5	171.8	0	111.4	S127 I128 R129 R133 E134 M135 W501 V504 E508	S127-K131 PolarHBondContact O-N 2.93Å; I128-K131 WeakPolarHBondContact O-CB 3.42Å; I128-K131 PolarHBondContact O-N 3.32Å; I128-K131 VanDerWaalsContact O-N 3.11Å; R129-K131 VanDerWaalsContact C-N 3.34Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.26Å; K131-E134 IonicContact NZ-OE2 3.38Å; K131-E134 PolarHBondContact NZ-OE2 3.47Å; K131-E134 WeakPolarHBondContact O-CB 3.25Å; K131-E134 PolarHBondContact O-N 3.34Å; K131-E134 VanDerWaalsContact O-N 3.08Å; K131-M135 WeakPolarHBondContact O-CG 3.38Å; K131-M135 PolarHBondContact O-N 2.84Å; K131-W501 HydrophobicContact CG-CH2 4.45Å; K131-W501 HydrophobicContact CG-CZ3 4.31Å; K131-V504 HydrophobicContact CG-CG1 4.37Å; K131-E508 VanDerWaalsContact CE-OE2 3.25Å; K131-E508 WeakPolarHBondContact CE-OE2 3.48Å; K131-E508 IonicContact NZ-OE2 3.22Å; K131-E508 PolarHBondContact NZ-OE2 3.11Å
132	V	98.8	Very high	97.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-38.6	176.9	-179.2	0	0	0	0	111.4	I128 R129 E134 M135 M136 V504 L543 L546 F550	I128-V132 PolarHBondContact O-N 3.15Å; R129-V132 PolarHBondContact O-N 2.96Å; V132-E134 VanDerWaalsContact C-N 3.34Å; V132-E134 PolarHBondContact O-N 2.94Å; V132-M135 WeakPolarHBondContact O-CB 3.31Å; V132-M135 PolarHBondContact O-N 3.37Å; V132-M136 PolarHBondContact O-N 2.98Å; V132-V504 HydrophobicContact CG2-CG2 3.77Å; V132-L543 HydrophobicContact CG1-CD2 4.3Å; V132-L543 WeakPolarHBondContact CG1-O 3.31Å; V132-L546 HydrophobicContact CG1-CB 3.88Å; V132-L546 HydrophobicContact CG2-CB 4.14Å; V132-F550 HydrophobicContact CG2-CD2 4.37Å
133	R	98.7	Very high	98.2	Very high	87 Å²	87	39.8 Å²	39.8	33%	0.328	20%	0.2	S	C	.	.	H	α-helix	trans	-63.2	-37.8	173	-179.2	177.9	178.8	-123	2	112.8	R129 D130 K131 M136 K137 M185 N186 L187 Y547	R129-R133 PolarHBondContact O-N 3.35Å; D130-R133 PolarHBondContact O-N 2.91Å; K131-R133 VanDerWaalsContact C-N 3.29Å; K131-R133 PolarHBondContact O-N 3.26Å; R133-M136 PolarHBondContact O-N 3.14Å; R133-K137 PolarHBondContact O-N 3.16Å; R133-M185 WeakPolarHBondContact CD-O 3.46Å; R133-M185 HydrophobicContact CG-CB 4.31Å; R133-M185 PolarHBondContact NE-O 3.08Å; R133-N186 PolarHBondContact NH2-O 3.42Å; R133-N186 VanDerWaalsContact NH2-O 3.15Å; R133-L187 HydrophobicContact CG-CD2 4.47Å; R133-Y547 HydrophobicContact CB-CD2 4.35Å; R133-Y547 HydrophobicContact CB-CE2 4.01Å
134	E	98.7	Very high	98.4	Very high	72 Å²	72	33.3 Å²	33.3	34%	0.336	18%	0.176	S	C	.	.	H	α-helix	trans	-63.7	-42.1	172.5	-178	-85.9	142.1	0	0	111.4	D130 K131 V132 M136 K137 F138 R512	D130-E134 PolarHBondContact O-N 2.98Å; K131-E134 IonicContact NZ-OE2 3.38Å; K131-E134 PolarHBondContact NZ-OE2 3.47Å; K131-E134 WeakPolarHBondContact O-CB 3.25Å; K131-E134 PolarHBondContact O-N 3.34Å; K131-E134 VanDerWaalsContact O-N 3.08Å; V132-E134 VanDerWaalsContact C-N 3.34Å; V132-E134 PolarHBondContact O-N 2.94Å; E134-M136 VanDerWaalsContact C-N 3.34Å; E134-M136 PolarHBondContact O-N 3.41Å; E134-K137 PolarHBondContact O-N 3.04Å; E134-F138 WeakPolarHBondContact O-CB 3.41Å; E134-F138 PolarHBondContact O-N 3.24Å; E134-R512 IonicContact OE1-CZ 3.34Å; E134-R512 IonicContact OE1-NH1 3.1Å; E134-R512 IonicContact OE1-NH2 3.23Å; E134-R512 PolarHBondContact OE1-NH2 2.86Å; E134-R512 IonicContact OE2-NH1 3.2Å
135	M	98.9	Very high	98.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.7	-45.5	174.9	-62.4	171.4	63.2	0	0	111.4	K131 V132 K137 F138 A139 V504 I507 E508 Y517 L543	K131-M135 WeakPolarHBondContact O-CG 3.38Å; K131-M135 PolarHBondContact O-N 2.84Å; V132-M135 WeakPolarHBondContact O-CB 3.31Å; V132-M135 PolarHBondContact O-N 3.37Å; M135-K137 VanDerWaalsContact C-N 3.35Å; M135-K137 PolarHBondContact O-N 2.9Å; M135-F138 PolarHBondContact O-N 3.27Å; M135-A139 WeakPolarHBondContact O-CB 3.42Å; M135-A139 PolarHBondContact O-N 3.15Å; M135-V504 HydrophobicContact CE-CG1 4.45Å; M135-V504 HydrophobicContact SD-CG1 3.61Å; M135-I507 HydrophobicContact CE-CB 4.19Å; M135-I507 HydrophobicContact CE-CG2 3.66Å; M135-E508 HydrophobicContact CE-CG 4.01Å; M135-E508 HydrophobicContact CG-CG 4.26Å; M135-E508 HydrophobicContact SD-CG 3.89Å; M135-Y517 WeakPolarHBondContact CA-OH 3.45Å; M135-Y517 HydrophobicContact CB-CE2 4.38Å; M135-Y517 VanDerWaalsContact CB-OH 3.23Å; M135-Y517 WeakPolarHBondContact CB-OH 3.35Å; M135-Y517 HydrophobicContact CE-CE1 4.07Å; M135-Y517 VanDerWaalsContact CG-OH 3.26Å; M135-Y517 WeakPolarHBondContact CG-OH 3.49Å; M135-L543 HydrophobicContact CB-CD2 3.99Å; M135-L543 HydrophobicContact CE-CD2 3.96Å
136	M	98.9	Very high	98.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-47.3	174.2	179	61.1	-173.3	0	0	111.7	V132 R133 E134 F138 A139 W140 T181 L182 M185 L187 L539 L543	V132-M136 PolarHBondContact O-N 2.98Å; R133-M136 PolarHBondContact O-N 3.14Å; E134-M136 VanDerWaalsContact C-N 3.34Å; E134-M136 PolarHBondContact O-N 3.41Å; M136-F138 VanDerWaalsContact C-N 3.3Å; M136-F138 PolarHBondContact O-N 2.79Å; M136-A139 PolarHBondContact O-N 2.69Å; M136-W140 VanDerWaalsContact O-CB 3.23Å; M136-W140 WeakPolarHBondContact O-CB 3.47Å; M136-W140 PolarHBondContact O-N 3.48Å; M136-T181 HydrophobicContact CE-CG2 3.93Å; M136-T181 HydrophobicContact CG-CG2 4.37Å; M136-T181 HydrophobicContact SD-CG2 3.99Å; M136-L182 HydrophobicContact CE-CD2 3.44Å; M136-L182 VanDerWaalsContact CE-CD2 3.44Å; M136-L182 HydrophobicContact CE-CG 3.79Å; M136-M185 HydrophobicContact CB-CE 4.17Å; M136-M185 HydrophobicContact CB-SD 3.44Å; M136-M185 WeakPolarHBondContact CB-SD 3.41Å; M136-M185 HydrophobicContact CG-CE 4.28Å; M136-M185 HydrophobicContact CG-SD 3.51Å; M136-M185 VanDerWaalsContact CG-SD 3.51Å; M136-L187 HydrophobicContact CB-CD1 4.33Å; M136-L187 HydrophobicContact CG-CD1 3.71Å; M136-L539 HydrophobicContact CE-CB 4Å; M136-L539 HydrophobicContact CE-CD2 3.87Å; M136-L539 HydrophobicContact CE-CG 4.3Å; M136-L539 HydrophobicContact SD-CB 3.93Å; M136-L539 HydrophobicContact SD-CD2 4.07Å; M136-L539 HydrophobicContact SD-CG 4.04Å; M136-L543 HydrophobicContact CB-CD1 3.99Å; M136-L543 HydrophobicContact SD-CD1 3.89Å
137	K	98.8	Very high	98.6	Very high	92 Å²	92	39.6 Å²	39.6	40%	0.4	20%	0.203	S	C	.	.	H	α-helix	trans	-63	-38	178	-168.9	173.5	-174	176.1	0	112	R133 E134 M135 N141 L187 E190	R133-K137 PolarHBondContact O-N 3.16Å; E134-K137 PolarHBondContact O-N 3.04Å; M135-K137 VanDerWaalsContact C-N 3.35Å; M135-K137 PolarHBondContact O-N 2.9Å; K137-N141 VanDerWaalsContact O-CB 3.29Å; K137-N141 WeakPolarHBondContact O-CB 3.4Å; K137-N141 PolarHBondContact O-N 3.1Å; K137-N141 PolarHBondContact O-ND2 3.39Å; K137-N141 PolarHBondContact O-OD1 2.73Å; K137-L187 HydrophobicContact CB-CD2 4.44Å; K137-L187 HydrophobicContact CD-CD2 4.32Å; K137-E190 WeakPolarHBondContact CE-OE1 3.48Å
138	F	98.9	Very high	98.6	Very high	41 Å²	41	40.2 Å²	40.2	18%	0.18	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-49.4	176.3	179.8	-107.7	0	0	0	111.9	E134 M135 M136 W140 N141 G142 R512 T513 Y517	E134-F138 WeakPolarHBondContact O-CB 3.41Å; E134-F138 PolarHBondContact O-N 3.24Å; M135-F138 PolarHBondContact O-N 3.27Å; M136-F138 VanDerWaalsContact C-N 3.3Å; M136-F138 PolarHBondContact O-N 2.79Å; F138-W140 VanDerWaalsContact C-N 3.33Å; F138-W140 PolarHBondContact O-N 3.26Å; F138-N141 PolarHBondContact O-N 3.46Å; F138-G142 PolarHBondContact O-N 2.92Å; F138-R512 HydrophobicContact CD1-CG 4.42Å; F138-R512 VanDerWaalsContact CD1-CZ 3.48Å; F138-R512 HydrophobicContact CE1-CG 3.8Å; F138-R512 HydrophobicContact CZ-CG 4.48Å; F138-T513 VanDerWaalsContact CZ-O 3.23Å; F138-T513 WeakPolarHBondContact CZ-O 3.48Å; F138-Y517 HydrophobicContact CD1-CD2 4.36Å; F138-Y517 AromaticContact CD1-CE2 3.65Å; F138-Y517 HydrophobicContact CD1-CE2 3.65Å; F138-Y517 AromaticContact CD1-CZ 3.96Å; F138-Y517 HydrophobicContact CE1-CE2 4.39Å
139	A	98.9	Very high	98.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-58.2	-45.1	176	0	0	0	0	0	111.9	M135 M136 G142 Y143 Y517 Q534 F538 L539 L543	M135-A139 WeakPolarHBondContact O-CB 3.42Å; M135-A139 PolarHBondContact O-N 3.15Å; M136-A139 PolarHBondContact O-N 2.69Å; A139-G142 PolarHBondContact O-N 3.41Å; A139-Y143 PolarHBondContact O-N 2.63Å; A139-Y517 HydrophobicContact CB-CD2 3.87Å; A139-Y517 HydrophobicContact CB-CE2 3.96Å; A139-Q534 PolarHBondContact O-NE2 3.06Å; A139-F538 HydrophobicContact CB-CD1 4.49Å; A139-F538 HydrophobicContact CB-CE1 4.11Å; A139-L539 HydrophobicContact CB-CD2 4.35Å; A139-L539 HydrophobicContact CB-CG 4.25Å; A139-L543 HydrophobicContact CB-CD1 4.37Å
140	W	98.8	Very high	98.5	Very high	8 Å²	8	40.6 Å²	40.6	3%	0.03	20%	0.197	C	C	.	.	H	α-helix	trans	-62.7	-48.6	176.5	176.5	-96.1	0	0	0	112.5	M136 F138 G142 Y143 A144 W148 L175 S178 L182 E190 A194 L539	M136-W140 VanDerWaalsContact O-CB 3.23Å; M136-W140 WeakPolarHBondContact O-CB 3.47Å; M136-W140 PolarHBondContact O-N 3.48Å; F138-W140 VanDerWaalsContact C-N 3.33Å; F138-W140 PolarHBondContact O-N 3.26Å; W140-G142 PolarHBondContact O-N 2.75Å; W140-Y143 HydrophobicContact CE3-CD1 4.4Å; W140-Y143 HydrophobicContact CZ3-CD1 4.26Å; W140-Y143 HydrophobicContact CZ3-CE1 4.49Å; W140-Y143 PolarHBondContact O-N 3.37Å; W140-Y143 VanDerWaalsContact O-N 3.15Å; W140-A144 WeakPolarHBondContact O-CB 3.39Å; W140-A144 PolarHBondContact O-N 2.84Å; W140-W148 HydrophobicContact CH2-CH2 4.15Å; W140-W148 AromaticContact CH2-CZ3 3.75Å; W140-W148 HydrophobicContact CH2-CZ3 3.75Å; W140-W148 AromaticContact CZ2-CH2 3.81Å; W140-W148 HydrophobicContact CZ2-CH2 3.81Å; W140-W148 AromaticContact CZ2-CZ3 3.5Å; W140-W148 HydrophobicContact CZ2-CZ3 3.5Å; W140-L175 HydrophobicContact CH2-CG 4.21Å; W140-S178 VanDerWaalsContact CZ3-OG 3.32Å; W140-S178 WeakPolarHBondContact CZ3-OG 3.24Å; W140-L182 HydrophobicContact CD2-CD1 4.11Å; W140-L182 HydrophobicContact CD2-CD2 3.95Å; W140-L182 HydrophobicContact CE3-CD1 3.79Å; W140-L182 HydrophobicContact CE3-CD2 4.07Å; W140-L182 HydrophobicContact CE3-CG 4.36Å; W140-L182 HydrophobicContact CG-CD2 4.15Å; W140-L182 HydrophobicContact CH2-CD1 3.57Å; W140-L182 HydrophobicContact CZ2-CD1 3.89Å; W140-L182 HydrophobicContact CZ3-CD1 3.54Å; W140-E190 HydrophobicContact CG-CG 4.37Å; W140-E190 HydrophobicContact CZ2-CB 4.3Å; W140-A194 HydrophobicContact CH2-CB 3.78Å; W140-A194 HydrophobicContact CZ2-CB 4.17Å; W140-L539 HydrophobicContact CE3-CD2 4.29Å
141	N	98.7	Very high	98.5	Very high	71 Å²	71	36.6 Å²	36.6	38%	0.38	18%	0.176	S	C	.	.	H	α-helix	trans	-62	-37.4	179.6	-72.9	-19.2	0	0	0	111.6	K137 F138 T145	K137-N141 VanDerWaalsContact O-CB 3.29Å; K137-N141 WeakPolarHBondContact O-CB 3.4Å; K137-N141 PolarHBondContact O-N 3.1Å; K137-N141 PolarHBondContact O-ND2 3.39Å; K137-N141 PolarHBondContact O-OD1 2.73Å; F138-N141 PolarHBondContact O-N 3.46Å; N141-T145 VanDerWaalsContact O-CB 3.3Å; N141-T145 WeakPolarHBondContact O-CB 3.31Å; N141-T145 PolarHBondContact O-N 3.22Å; N141-T145 PolarHBondContact O-OG1 3.12Å
142	G	98.8	Very high	98.5	Very high	4 Å²	4	34.3 Å²	34.3	4%	0.041	17%	0.166	C	C	.	.	H	α-helix	trans	-54.1	-56.6	169.6	0	0	0	0	0	112.5	F138 A139 W140 A144 T145 Y146 A515	F138-G142 PolarHBondContact O-N 2.92Å; A139-G142 PolarHBondContact O-N 3.41Å; W140-G142 PolarHBondContact O-N 2.75Å; G142-A144 PolarHBondContact O-N 3.18Å; G142-T145 PolarHBondContact O-N 3.07Å; G142-Y146 VanDerWaalsContact O-CD2 3.27Å; G142-Y146 WeakPolarHBondContact O-CD2 3.38Å; G142-Y146 PolarHBondContact O-N 3.23Å; G142-Y146 VanDerWaalsContact O-N 3.07Å; G142-A515 WeakPolarHBondContact CA-O 3.42Å
143	Y	98.8	Very high	98.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-49.2	177.4	170.9	-98.7	0	0	0	111.7	A139 W140 T145 Y146 A147 W148 G149 S150 L153 L175	A139-Y143 PolarHBondContact O-N 2.63Å; W140-Y143 HydrophobicContact CE3-CD1 4.4Å; W140-Y143 HydrophobicContact CZ3-CD1 4.26Å; W140-Y143 HydrophobicContact CZ3-CE1 4.49Å; W140-Y143 PolarHBondContact O-N 3.37Å; W140-Y143 VanDerWaalsContact O-N 3.15Å; Y143-T145 PolarHBondContact O-N 2.73Å; Y143-Y146 PolarHBondContact O-N 3.36Å; Y143-A147 HydrophobicContact CD2-CB 3.78Å; Y143-A147 HydrophobicContact CE2-CB 4.03Å; Y143-A147 WeakPolarHBondContact CE2-O 3.36Å; Y143-A147 CarbonylContact O-C 3.6Å; Y143-A147 VanDerWaalsContact O-C 3.23Å; Y143-A147 WeakPolarHBondContact O-CA 3.3Å; Y143-A147 PolarHBondContact O-N 3.1Å; Y143-W148 HydrophobicContact CD1-CE3 4.19Å; Y143-W148 HydrophobicContact CD1-CZ3 4.45Å; Y143-W148 AromaticContact CE1-CE3 3.81Å; Y143-W148 HydrophobicContact CE1-CE3 3.81Å; Y143-W148 HydrophobicContact CE1-CZ3 4.13Å; Y143-W148 PolarHBondContact O-N 3.07Å; Y143-W148 VanDerWaalsContact O-N 3.13Å; Y143-G149 PolarHBondContact OH-N 3.38Å; Y143-S150 WeakPolarHBondContact CE2-O 3.49Å; Y143-S150 PolarHBondContact OH-O 2.85Å; Y143-L153 HydrophobicContact CD2-CB 4.28Å; Y143-L175 HydrophobicContact CE1-CB 3.91Å
144	A	98.5	Very high	98.5	Very high	35 Å²	35	33.7 Å²	33.7	29%	0.289	16%	0.164	S	C	.	.	H	α-helix	trans	-63.7	-27	-179	0	0	0	0	0	113.8	W140 G142 W148	W140-A144 WeakPolarHBondContact O-CB 3.39Å; W140-A144 PolarHBondContact O-N 2.84Å; G142-A144 PolarHBondContact O-N 3.18Å; A144-W148 HydrophobicContact CB-CE3 3.87Å; A144-W148 HydrophobicContact CB-CZ3 4.06Å
145	T	98.5	Very high	98.5	Very high	95 Å²	95	30.3 Å²	30.3	58%	0.583	15%	0.148	S	C	*	.	H	α-helix	trans	-83.9	-41.1	178.7	-56.2	0	0	0	0	112.2	N141 G142 Y143	N141-T145 VanDerWaalsContact O-CB 3.3Å; N141-T145 WeakPolarHBondContact O-CB 3.31Å; N141-T145 PolarHBondContact O-N 3.22Å; N141-T145 PolarHBondContact O-OG1 3.12Å; G142-T145 PolarHBondContact O-N 3.07Å; Y143-T145 PolarHBondContact O-N 2.73Å
146	Y	98.5	Very high	98.5	Very high	88 Å²	88	34.1 Å²	34.1	35%	0.345	17%	0.171	S	C	.	.	H	α-helix	trans	-115.5	-11.7	-165	-59.5	-67.2	0	0	0	114.7	G142 Y143 K158 A515	G142-Y146 VanDerWaalsContact O-CD2 3.27Å; G142-Y146 WeakPolarHBondContact O-CD2 3.38Å; G142-Y146 PolarHBondContact O-N 3.23Å; G142-Y146 VanDerWaalsContact O-N 3.07Å; Y143-Y146 PolarHBondContact O-N 3.36Å; Y146-K158 HydrophobicContact CD1-CB 3.67Å; Y146-K158 HydrophobicContact CD1-CD 4.31Å; Y146-K158 HydrophobicContact CD1-CG 4.31Å; Y146-K158 HydrophobicContact CD2-CB 4.31Å; Y146-K158 HydrophobicContact CD2-CG 4.36Å; Y146-K158 HydrophobicContact CE1-CB 4Å; Y146-K158 HydrophobicContact CE1-CD 3.78Å; Y146-K158 HydrophobicContact CE1-CG 4.24Å; Y146-K158 HydrophobicContact CE2-CD 4.26Å; Y146-K158 HydrophobicContact CE2-CG 4.33Å; Y146-K158 HydrophobicContact CG-CB 3.82Å; Y146-K158 HydrophobicContact CG-CG 4.35Å; Y146-K158 PolarHBondContact OH-NZ 3.01Å; Y146-A515 HydrophobicContact CD2-CB 3.69Å; Y146-A515 HydrophobicContact CE2-CB 3.42Å; Y146-A515 VanDerWaalsContact CE2-CB 3.42Å
147	A	98.2	Very high	98.4	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.041	19%	0.19	C	C	.	.			trans	-146	23	-171.6	0	0	0	0	0	113	Y143 G149 S150 L153	Y143-A147 HydrophobicContact CD2-CB 3.78Å; Y143-A147 HydrophobicContact CE2-CB 4.03Å; Y143-A147 WeakPolarHBondContact CE2-O 3.36Å; Y143-A147 CarbonylContact O-C 3.6Å; Y143-A147 VanDerWaalsContact O-C 3.23Å; Y143-A147 WeakPolarHBondContact O-CA 3.3Å; Y143-A147 PolarHBondContact O-N 3.1Å; A147-G149 PolarHBondContact O-N 3.04Å; A147-G149 VanDerWaalsContact O-N 3.15Å; A147-S150 WeakPolarHBondContact O-CA 3.42Å; A147-S150 WeakPolarHBondContact O-CB 3.41Å; A147-S150 PolarHBondContact O-N 3.29Å; A147-L153 HydrophobicContact CB-CB 4.03Å; A147-L153 HydrophobicContact CB-CD1 3.79Å
148	W	98.2	Very high	98.4	Very high	94 Å²	94	36.5 Å²	36.5	36%	0.356	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	120.1	-177.3	-169.3	-117.1	0	0	0	112.2	W140 Y143 A144 S150 L175 T193 W197	W140-W148 HydrophobicContact CH2-CH2 4.15Å; W140-W148 AromaticContact CH2-CZ3 3.75Å; W140-W148 HydrophobicContact CH2-CZ3 3.75Å; W140-W148 AromaticContact CZ2-CH2 3.81Å; W140-W148 HydrophobicContact CZ2-CH2 3.81Å; W140-W148 AromaticContact CZ2-CZ3 3.5Å; W140-W148 HydrophobicContact CZ2-CZ3 3.5Å; Y143-W148 HydrophobicContact CD1-CE3 4.19Å; Y143-W148 HydrophobicContact CD1-CZ3 4.45Å; Y143-W148 AromaticContact CE1-CE3 3.81Å; Y143-W148 HydrophobicContact CE1-CE3 3.81Å; Y143-W148 HydrophobicContact CE1-CZ3 4.13Å; Y143-W148 PolarHBondContact O-N 3.07Å; Y143-W148 VanDerWaalsContact O-N 3.13Å; A144-W148 HydrophobicContact CB-CE3 3.87Å; A144-W148 HydrophobicContact CB-CZ3 4.06Å; W148-S150 PolarHBondContact O-N 3.01Å; W148-L175 HydrophobicContact CD2-CD1 4.45Å; W148-L175 HydrophobicContact CE3-CD1 4.16Å; W148-L175 HydrophobicContact CH2-CD1 3.61Å; W148-L175 HydrophobicContact CH2-CG 4.48Å; W148-L175 HydrophobicContact CZ2-CD1 3.87Å; W148-L175 HydrophobicContact CZ3-CD1 3.77Å; W148-T193 HydrophobicContact CH2-CG2 4.02Å; W148-T193 HydrophobicContact CZ2-CG2 3.91Å; W148-W197 AromaticContact CD1-CD1 3.97Å; W148-W197 AromaticContact CE2-CD1 3.93Å; W148-W197 HydrophobicContact CZ2-CB 3.86Å; W148-W197 HydrophobicContact CZ2-CG 4.2Å; W148-W197 AromaticContact NE1-CD1 3.31Å; W148-W197 VanDerWaalsContact NE1-CD1 3.31Å; W148-W197 AromaticContact NE1-CG 3.99Å; W148-W197 AromaticContact NE1-NE1 3.95Å
149	G	96.8	Very high	98.4	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	82	-14.4	-175.5	0	0	0	0	0	114.9	Y143 A147 P170 G172 W197	Y143-G149 PolarHBondContact OH-N 3.38Å; A147-G149 PolarHBondContact O-N 3.04Å; A147-G149 VanDerWaalsContact O-N 3.15Å; G149-P170 CarbonylContact O-C 3.46Å; G149-P170 WeakPolarHBondContact O-CA 3.41Å; G149-P170 VanDerWaalsContact O-CB 3.31Å; G149-P170 WeakPolarHBondContact O-CB 3.34Å; G149-G172 WeakPolarHBondContact O-CA 3.43Å; G149-G172 PolarHBondContact O-N 3.22Å; G149-W197 VanDerWaalsContact CA-CZ2 3.41Å
150	S	97.8	Very high	98.3	Very high	13 Å²	13	39.3 Å²	39.3	9%	0.091	22%	0.216	C	C	.	.	S	Bend	trans	-65.8	161.3	168.2	-167.2	0	0	0	0	110.6	Y143 A147 W148 E152 G160 H161 G172	Y143-S150 WeakPolarHBondContact CE2-O 3.49Å; Y143-S150 PolarHBondContact OH-O 2.85Å; A147-S150 WeakPolarHBondContact O-CA 3.42Å; A147-S150 WeakPolarHBondContact O-CB 3.41Å; A147-S150 PolarHBondContact O-N 3.29Å; W148-S150 PolarHBondContact O-N 3.01Å; S150-E152 PolarHBondContact OG-O 3.44Å; S150-G160 VanDerWaalsContact OG-CA 3.31Å; S150-G160 WeakPolarHBondContact OG-CA 3.43Å; S150-H161 PolarHBondContact OG-N 3.47Å; S150-H161 PolarHBondContact OG-O 2.66Å; S150-G172 WeakPolarHBondContact O-CA 3.32Å
151	N	98.1	Very high	98.2	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-65.8	-52.9	177.3	-67	-19.8	0	0	0	110.8	L162 L166 G167 E169 L171 G172 A173 S174 Y219	N151-L162 HydrophobicContact CB-CD2 4Å; N151-L166 HydrophobicContact CB-CB 4.18Å; N151-L166 HydrophobicContact CB-CD1 4.32Å; N151-L166 PolarHBondContact ND2-O 3.04Å; N151-G167 PolarHBondContact ND2-O 3.23Å; N151-G167 VanDerWaalsContact ND2-O 3.08Å; N151-E169 PolarHBondContact ND2-O 3.36Å; N151-E169 PolarHBondContact OD1-O 3.15Å; N151-L171 WeakPolarHBondContact OD1-CA 3.29Å; N151-L171 PolarHBondContact OD1-N 3.27Å; N151-G172 PolarHBondContact OD1-N 3.29Å; N151-A173 HydrophobicContact CB-CB 3.84Å; N151-A173 WeakPolarHBondContact O-CB 3.46Å; N151-S174 VanDerWaalsContact O-CB 3.31Å; N151-S174 WeakPolarHBondContact O-CB 3.4Å; N151-S174 PolarHBondContact O-N 3Å; N151-S174 PolarHBondContact O-OG 3.12Å; N151-Y219 PolarHBondContact OD1-OH 2.73Å
152	E	98.5	Very high	98.1	Very high	11 Å²	11	39.9 Å²	39.9	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	175.5	-179.1	-68.7	-179.7	157.6	0	0	111.3	S150 H161 L166 Q535 S536	S150-E152 PolarHBondContact OG-O 3.44Å; E152-H161 HydrophobicContact CB-CB 3.83Å; E152-H161 PolarHBondContact N-O 3.25Å; E152-H161 PolarHBondContact O-N 2.94Å; E152-H161 IonicContact OE2-CE1 2.68Å; E152-H161 PolarHBondContact OE2-CE1 2.59Å; E152-H161 IonicContact OE2-CG 2.85Å; E152-H161 IonicContact OE2-ND1 2.68Å; E152-H161 PolarHBondContact OE2-ND1 3.39Å; E152-L166 HydrophobicContact CG-CD1 4.26Å; E152-Q535 WeakPolarHBondContact OE1-CA 3.29Å; E152-S536 PolarHBondContact OE1-N 3.08Å
153	L	98.6	Very high	97.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.5	177.6	169	70.8	0	0	0	110.2	Y143 A147 P155 A515 Q534	Y143-L153 HydrophobicContact CD2-CB 4.28Å; A147-L153 HydrophobicContact CB-CB 4.03Å; A147-L153 HydrophobicContact CB-CD1 3.79Å; L153-P155 HydrophobicContact CD2-CB 4.03Å; L153-P155 HydrophobicContact CG-CB 4.25Å; L153-P155 WeakPolarHBondContact O-CD 3.14Å; L153-A515 VanDerWaalsContact CD2-O 3.28Å; L153-A515 WeakPolarHBondContact CD2-O 3.28Å; L153-Q534 HydrophobicContact CB-CB 4.16Å; L153-Q534 HydrophobicContact CD2-CB 4.42Å; L153-Q534 PolarHBondContact O-N 3.39Å
154	R	98.7	Very high	97.4	Very high	74 Å²	74	42.5 Å²	42.5	28%	0.279	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	100	157.8	-62.6	-158.1	169.6	-85	2.5	109.5	S157 K158 T159 H161 D532	R154-S157 WeakPolarHBondContact CB-OG 3.47Å; R154-S157 WeakPolarHBondContact CD-OG 3.31Å; R154-K158 WeakPolarHBondContact O-CA 3.43Å; R154-K158 PolarHBondContact O-N 2.91Å; R154-T159 WeakPolarHBondContact CB-O 3.39Å; R154-T159 PolarHBondContact N-O 3.29Å; R154-T159 PolarHBondContact O-N 3.13Å; R154-H161 HydrophobicContact CG-CB 3.77Å; R154-H161 PolarHBondContact NH2-CD2 2.98Å; R154-H161 PolarHBondContact NH2-NE2 3.48Å; R154-D532 WeakPolarHBondContact CA-O 3.07Å; R154-D532 WeakPolarHBondContact CA-OD1 3.17Å; R154-D532 WeakPolarHBondContact CB-O 3.4Å; R154-D532 WeakPolarHBondContact CB-OD1 3.42Å; R154-D532 WeakPolarHBondContact CG-O 3.39Å; R154-D532 PolarHBondContact NH1-O 2.92Å
155	P	98.5	Very high	97.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.006	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.8	-167.7	34.2	-41.5	0	0	0	114.2	L153 T513 A515 Y517 D532 Q534	L153-P155 HydrophobicContact CD2-CB 4.03Å; L153-P155 HydrophobicContact CG-CB 4.25Å; L153-P155 WeakPolarHBondContact O-CD 3.14Å; P155-T513 HydrophobicContact CB-CG2 4.16Å; P155-T513 HydrophobicContact CG-CG2 4.12Å; P155-T513 PolarHBondContact O-OG1 3.29Å; P155-A515 WeakPolarHBondContact O-CB 3.47Å; P155-Y517 WeakPolarHBondContact CG-O 3.48Å; P155-D532 WeakPolarHBondContact CD-OD1 2.93Å; P155-D532 VanDerWaalsContact N-OD1 3.11Å; P155-Q534 HydrophobicContact CG-CB 4.41Å
156	V	98.3	Very high	97	Very high	80 Å²	80	37.5 Å²	37.5	49%	0.485	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-52.4	175.1	-175	0	0	0	0	110.1	K158 T513 L530 D532	V156-K158 VanDerWaalsContact C-N 3.29Å; V156-K158 PolarHBondContact O-N 3.47Å; V156-T513 HydrophobicContact CG2-CG2 4Å; V156-L530 HydrophobicContact CG2-CB 4.07Å; V156-L530 HydrophobicContact CG2-CD1 3.79Å; V156-D532 VanDerWaalsContact CA-OD1 3.29Å; V156-D532 WeakPolarHBondContact CA-OD1 3.47Å; V156-D532 HydrophobicContact CB-CB 4.07Å; V156-D532 WeakPolarHBondContact CB-OD1 3.45Å; V156-D532 HydrophobicContact CG2-CB 4.18Å; V156-D532 PolarHBondContact N-OD1 3.2Å
157	S	98	Very high	96.8	Very high	57 Å²	57	33.3 Å²	33.3	40%	0.399	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.3	178	57.2	0	0	0	0	113.8	R154 T159 D532	R154-S157 WeakPolarHBondContact CB-OG 3.47Å; R154-S157 WeakPolarHBondContact CD-OG 3.31Å; S157-T159 PolarHBondContact OG-OG1 2.9Å; S157-D532 WeakPolarHBondContact CB-OD2 3.47Å; S157-D532 PolarHBondContact N-OD1 3.05Å; S157-D532 VanDerWaalsContact N-OD1 3.11Å; S157-D532 PolarHBondContact N-OD2 2.9Å; S157-D532 PolarHBondContact OG-OD2 3.3Å
158	K	98.6	Very high	96.6	Very high	85 Å²	85	37.6 Å²	37.6	37%	0.37	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	47.6	178.6	-60.1	175.8	174.2	-170.3	0	112.7	Y146 R154 V156 A515	Y146-K158 HydrophobicContact CD1-CB 3.67Å; Y146-K158 HydrophobicContact CD1-CD 4.31Å; Y146-K158 HydrophobicContact CD1-CG 4.31Å; Y146-K158 HydrophobicContact CD2-CB 4.31Å; Y146-K158 HydrophobicContact CD2-CG 4.36Å; Y146-K158 HydrophobicContact CE1-CB 4Å; Y146-K158 HydrophobicContact CE1-CD 3.78Å; Y146-K158 HydrophobicContact CE1-CG 4.24Å; Y146-K158 HydrophobicContact CE2-CD 4.26Å; Y146-K158 HydrophobicContact CE2-CG 4.33Å; Y146-K158 HydrophobicContact CG-CB 3.82Å; Y146-K158 HydrophobicContact CG-CG 4.35Å; Y146-K158 PolarHBondContact OH-NZ 3.01Å; R154-K158 WeakPolarHBondContact O-CA 3.43Å; R154-K158 PolarHBondContact O-N 2.91Å; V156-K158 VanDerWaalsContact C-N 3.29Å; V156-K158 PolarHBondContact O-N 3.47Å; K158-A515 HydrophobicContact CD-CB 4.49Å; K158-A515 HydrophobicContact CG-CB 3.97Å
159	T	98.2	Very high	96.5	Very high	66 Å²	66	36.7 Å²	36.7	41%	0.405	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	166.5	177.7	65.2	0	0	0	0	111.7	R154 S157	R154-T159 WeakPolarHBondContact CB-O 3.39Å; R154-T159 PolarHBondContact N-O 3.29Å; R154-T159 PolarHBondContact O-N 3.13Å; S157-T159 PolarHBondContact OG-OG1 2.9Å
160	G	97.5	Very high	96.4	Very high	34 Å²	34	39.9 Å²	39.9	35%	0.351	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	146	166.4	0	0	0	0	0	112.3	S150	S150-G160 VanDerWaalsContact OG-CA 3.31Å; S150-G160 WeakPolarHBondContact OG-CA 3.43Å
161	H	96.7	Very high	96.4	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.111	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.8	168.4	-178.9	-128.7	0	0	0	109.6	S150 E152 R154	S150-H161 PolarHBondContact OG-N 3.47Å; S150-H161 PolarHBondContact OG-O 2.66Å; E152-H161 HydrophobicContact CB-CB 3.83Å; E152-H161 PolarHBondContact N-O 3.25Å; E152-H161 PolarHBondContact O-N 2.94Å; E152-H161 IonicContact OE2-CE1 2.68Å; E152-H161 PolarHBondContact OE2-CE1 2.59Å; E152-H161 IonicContact OE2-CG 2.85Å; E152-H161 IonicContact OE2-ND1 2.68Å; E152-H161 PolarHBondContact OE2-ND1 3.39Å; R154-H161 HydrophobicContact CG-CB 3.77Å; R154-H161 PolarHBondContact NH2-CD2 2.98Å; R154-H161 PolarHBondContact NH2-NE2 3.48Å
162	L	95.7	Very high	96.4	Very high	67 Å²	67	39.3 Å²	39.3	35%	0.351	22%	0.217	S	C	.	.			trans	-126.4	85.1	179.3	-61.2	177.4	0	0	0	108.8	N151	N151-L162 HydrophobicContact CB-CD2 4Å
163	P	92.5	Very high	96.4	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.039	22%	0.215	C	C	.	.			trans	-70.4	136	174.7	29.4	-32.6	0	0	0	109.5	P71 V165 L166 G167	P71-P163 HydrophobicContact CG-CB 4.22Å; P163-V165 PolarHBondContact O-N 3.31Å; P163-V165 VanDerWaalsContact O-N 3.08Å; P163-L166 HydrophobicContact CG-CB 3.95Å; P163-L166 HydrophobicContact CG-CD1 3.63Å; P163-L166 HydrophobicContact CG-CG 3.79Å; P163-L166 WeakPolarHBondContact O-CA 3.37Å; P163-L166 PolarHBondContact O-N 3.39Å; P163-G167 PolarHBondContact O-N 3.35Å
164	F	90.2	Very high	96.4	Very high	54 Å²	54	38.8 Å²	38.8	24%	0.237	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-51.5	-36.3	-175.3	161.3	-92.3	0	0	0	114.4	P71 L166 G167 Q209 L260 F271	P71-F164 HydrophobicContact CB-CB 3.81Å; P71-F164 HydrophobicContact CB-CD1 4.23Å; P71-F164 HydrophobicContact CB-CG 4.46Å; P71-F164 HydrophobicContact CG-CB 3.53Å; P71-F164 HydrophobicContact CG-CD1 4.35Å; P71-F164 HydrophobicContact CG-CG 4.45Å; F164-L166 PolarHBondContact O-N 3.38Å; F164-G167 PolarHBondContact O-N 3.47Å; F164-Q209 HydrophobicContact CE2-CB 4.47Å; F164-Q209 HydrophobicContact CE2-CG 4.48Å; F164-Q209 HydrophobicContact CZ-CG 4.29Å; F164-L260 HydrophobicContact CE1-CD1 4.04Å; F164-L260 HydrophobicContact CE1-CD2 4.07Å; F164-L260 HydrophobicContact CZ-CD1 3.91Å; F164-L260 HydrophobicContact CZ-CD2 4.38Å; F164-F271 HydrophobicContact CE1-CE1 4.1Å
165	V	92.6	Very high	96.3	Very high	21 Å²	21	35.3 Å²	35.3	13%	0.127	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-67.1	-24.4	178.8	-65	0	0	0	0	113	P71 P163 S211 E214 F271	P71-V165 HydrophobicContact CG-CG1 4.18Å; P71-V165 HydrophobicContact CG-CG2 4.37Å; P163-V165 PolarHBondContact O-N 3.31Å; P163-V165 VanDerWaalsContact O-N 3.08Å; V165-S211 WeakPolarHBondContact O-CB 3.31Å; V165-S211 PolarHBondContact O-N 3.35Å; V165-E214 HydrophobicContact CB-CG 4.22Å; V165-E214 HydrophobicContact CG2-CG 4.3Å; V165-F271 HydrophobicContact CG1-CZ 4.38Å
166	L	96.5	Very high	96.4	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-94.5	4.4	173	-53.8	-177.6	0	0	0	112.6	N151 E152 P163 F164 A173 E214 F215 Y219	N151-L166 HydrophobicContact CB-CB 4.18Å; N151-L166 HydrophobicContact CB-CD1 4.32Å; N151-L166 PolarHBondContact ND2-O 3.04Å; E152-L166 HydrophobicContact CG-CD1 4.26Å; P163-L166 HydrophobicContact CG-CB 3.95Å; P163-L166 HydrophobicContact CG-CD1 3.63Å; P163-L166 HydrophobicContact CG-CG 3.79Å; P163-L166 WeakPolarHBondContact O-CA 3.37Å; P163-L166 PolarHBondContact O-N 3.39Å; F164-L166 PolarHBondContact O-N 3.38Å; L166-A173 HydrophobicContact CD1-CB 3.68Å; L166-E214 HydrophobicContact CD2-CB 3.8Å; L166-E214 HydrophobicContact CD2-CG 4.4Å; L166-F215 WeakPolarHBondContact O-CZ 3.39Å; L166-Y219 HydrophobicContact CD2-CE2 4.32Å
167	G	93.6	Very high	96.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.178	C	C	.	.			trans	85.8	156.8	-176.9	0	0	0	0	0	114.3	N151 P163 F164 E169 T208 Q209	N151-G167 PolarHBondContact ND2-O 3.23Å; N151-G167 VanDerWaalsContact ND2-O 3.08Å; P163-G167 PolarHBondContact O-N 3.35Å; F164-G167 PolarHBondContact O-N 3.47Å; G167-E169 PolarHBondContact O-N 3.38Å; G167-T208 WeakPolarHBondContact CA-OG1 3.41Å; G167-Q209 VanDerWaalsContact CA-O 3.29Å; G167-Q209 WeakPolarHBondContact CA-O 3.39Å
168	N	94.6	Very high	96.4	Very high	96 Å²	96	28.7 Å²	28.7	51%	0.513	16%	0.159	S	C	.	.	S	Bend	trans	-89	15.2	178.9	-64	-20.4	0	0	0	112.3	T208	N168-T208 PolarHBondContact N-OG1 3.43Å
169	E	96.3	Very high	96.4	Very high	74 Å²	74	24.7 Å²	24.7	35%	0.346	14%	0.141	S	C	.	.	S	Bend	trans	-120	146.1	178.6	-69.8	-78.3	160.1	0	0	109	N151 G167 L171 K206 T208	N151-E169 PolarHBondContact ND2-O 3.36Å; N151-E169 PolarHBondContact OD1-O 3.15Å; G167-E169 PolarHBondContact O-N 3.38Å; E169-L171 HydrophobicContact CB-CG 4.29Å; E169-L171 PolarHBondContact O-N 2.77Å; E169-K206 HydrophobicContact CB-CB 4.37Å; E169-K206 HydrophobicContact CB-CG 4.43Å; E169-K206 HydrophobicContact CG-CB 4.09Å; E169-K206 HydrophobicContact CG-CG 4.5Å; E169-T208 HydrophobicContact CB-CG2 4.07Å; E169-T208 HydrophobicContact CG-CG2 4.01Å
170	P	95.9	Very high	96.4	Very high	71 Å²	71	21.5 Å²	21.5	46%	0.461	12%	0.122	S	C	.	.			trans	-72.8	91.3	179.6	30.8	-34.6	0	0	0	110.3	G149	G149-P170 CarbonylContact O-C 3.46Å; G149-P170 WeakPolarHBondContact O-CA 3.41Å; G149-P170 VanDerWaalsContact O-CB 3.31Å; G149-P170 WeakPolarHBondContact O-CB 3.34Å
171	L	97.7	Very high	96.5	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	11%	0.105	C	C	.	.			trans	-103.4	8.2	-177.2	-68.7	171.7	0	0	0	112.6	N151 E169 L202 F204 K206 T208 F215 Y219 L263	N151-L171 WeakPolarHBondContact OD1-CA 3.29Å; N151-L171 PolarHBondContact OD1-N 3.27Å; E169-L171 HydrophobicContact CB-CG 4.29Å; E169-L171 PolarHBondContact O-N 2.77Å; L171-L202 HydrophobicContact CD2-CD1 4.49Å; L171-F204 HydrophobicContact CD2-CD1 4.32Å; L171-K206 HydrophobicContact CD2-CG 3.95Å; L171-T208 HydrophobicContact CD1-CG2 3.99Å; L171-F215 HydrophobicContact CD1-CE1 3.98Å; L171-F215 HydrophobicContact CD1-CZ 3.65Å; L171-Y219 HydrophobicContact CB-CE1 4.18Å; L171-Y219 WeakPolarHBondContact O-CE1 3.46Å; L171-L263 HydrophobicContact CD1-CD1 3.8Å
172	G	97.9	Very high	96.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.1	C	C	.	.			trans	69.3	36.6	171.2	0	0	0	0	0	115.1	G149 S150 N151 S174 L175 I176	G149-G172 WeakPolarHBondContact O-CA 3.43Å; G149-G172 PolarHBondContact O-N 3.22Å; S150-G172 WeakPolarHBondContact O-CA 3.32Å; N151-G172 PolarHBondContact OD1-N 3.29Å; G172-S174 PolarHBondContact O-N 3.47Å; G172-L175 WeakPolarHBondContact O-CA 3.27Å; G172-L175 VanDerWaalsContact O-CB 3.29Å; G172-L175 WeakPolarHBondContact O-CB 3.38Å; G172-L175 PolarHBondContact O-N 2.98Å; G172-I176 WeakPolarHBondContact O-CG1 3.32Å; G172-I176 PolarHBondContact O-N 3.04Å
173	A	98.4	Very high	96.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-49.5	-58.2	-178.9	0	0	0	0	0	112.7	N151 L166 L175 I176 D177 Y219	N151-A173 HydrophobicContact CB-CB 3.84Å; N151-A173 WeakPolarHBondContact O-CB 3.46Å; L166-A173 HydrophobicContact CD1-CB 3.68Å; A173-L175 PolarHBondContact O-N 3.49Å; A173-L175 VanDerWaalsContact O-N 3.16Å; A173-I176 PolarHBondContact O-N 3.14Å; A173-I176 VanDerWaalsContact O-N 3.07Å; A173-D177 WeakPolarHBondContact O-CB 3.34Å; A173-D177 PolarHBondContact O-N 3.28Å; A173-Y219 VanDerWaalsContact CA-OH 3.3Å; A173-Y219 WeakPolarHBondContact CA-OH 3.14Å; A173-Y219 HydrophobicContact CB-CE2 3.82Å; A173-Y219 WeakPolarHBondContact CB-OH 3.3Å; A173-Y219 PolarHBondContact N-OH 3.13Å
174	S	98.5	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.8	-30.4	179.5	-61.6	0	0	0	0	112.7	N151 G172 S178	N151-S174 VanDerWaalsContact O-CB 3.31Å; N151-S174 WeakPolarHBondContact O-CB 3.4Å; N151-S174 PolarHBondContact O-N 3Å; N151-S174 PolarHBondContact O-OG 3.12Å; G172-S174 PolarHBondContact O-N 3.47Å; S174-S178 VanDerWaalsContact O-CB 3.27Å; S174-S178 WeakPolarHBondContact O-CB 3.31Å; S174-S178 PolarHBondContact O-N 3.39Å; S174-S178 PolarHBondContact O-OG 2.97Å
175	L	97.2	Very high	97.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68.7	-46.1	175.9	-175.1	153.8	0	0	0	111.3	W140 Y143 W148 G172 A173 L179 A194 W197 I198	W140-L175 HydrophobicContact CH2-CG 4.21Å; Y143-L175 HydrophobicContact CE1-CB 3.91Å; W148-L175 HydrophobicContact CD2-CD1 4.45Å; W148-L175 HydrophobicContact CE3-CD1 4.16Å; W148-L175 HydrophobicContact CH2-CD1 3.61Å; W148-L175 HydrophobicContact CH2-CG 4.48Å; W148-L175 HydrophobicContact CZ2-CD1 3.87Å; W148-L175 HydrophobicContact CZ3-CD1 3.77Å; G172-L175 WeakPolarHBondContact O-CA 3.27Å; G172-L175 VanDerWaalsContact O-CB 3.29Å; G172-L175 WeakPolarHBondContact O-CB 3.38Å; G172-L175 PolarHBondContact O-N 2.98Å; A173-L175 PolarHBondContact O-N 3.49Å; A173-L175 VanDerWaalsContact O-N 3.16Å; L175-L179 WeakPolarHBondContact O-CG 3.39Å; L175-A194 HydrophobicContact CD1-CB 4.38Å; L175-A194 HydrophobicContact CD2-CB 3.79Å; L175-A194 HydrophobicContact CG-CB 3.81Å; L175-W197 HydrophobicContact CD1-CB 4.03Å; L175-W197 HydrophobicContact CD1-CD2 3.71Å; L175-W197 HydrophobicContact CD1-CE3 3.6Å; L175-W197 HydrophobicContact CD1-CG 3.91Å; L175-W197 HydrophobicContact CD1-CZ3 4.33Å; L175-W197 HydrophobicContact CD2-CE3 3.82Å; L175-W197 HydrophobicContact CD2-CZ3 4.33Å; L175-W197 HydrophobicContact CG-CE3 4.32Å; L175-I198 HydrophobicContact CD2-CD1 3.72Å; L175-I198 HydrophobicContact CD2-CG1 3.64Å
176	I	98.7	Very high	97.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-78.5	-46.7	-175.6	-64.9	167.5	0	0	0	111.3	G172 A173 S178 L179 I198 L202 Y219 L223	G172-I176 WeakPolarHBondContact O-CG1 3.32Å; G172-I176 PolarHBondContact O-N 3.04Å; A173-I176 PolarHBondContact O-N 3.14Å; A173-I176 VanDerWaalsContact O-N 3.07Å; I176-S178 PolarHBondContact O-N 2.75Å; I176-L179 HydrophobicContact CG2-CD1 4.4Å; I176-L179 WeakPolarHBondContact O-CB 3.35Å; I176-L179 VanDerWaalsContact O-CG 3.3Å; I176-L179 WeakPolarHBondContact O-CG 3.27Å; I176-L179 PolarHBondContact O-N 2.88Å; I176-I198 HydrophobicContact CG1-CD1 4.01Å; I176-I198 HydrophobicContact CG1-CG1 4.28Å; I176-L202 HydrophobicContact CD1-CD1 4.19Å; I176-L202 HydrophobicContact CD1-CD2 3.61Å; I176-Y219 HydrophobicContact CB-CD1 4.35Å; I176-Y219 HydrophobicContact CD1-CD1 3.44Å; I176-Y219 VanDerWaalsContact CD1-CD1 3.44Å; I176-Y219 HydrophobicContact CD1-CE1 3.65Å; I176-Y219 HydrophobicContact CG1-CD1 4.49Å; I176-Y219 HydrophobicContact CG2-CD1 4.26Å; I176-Y219 HydrophobicContact CG2-CG 4.39Å; I176-L223 HydrophobicContact CG2-CD1 4.38Å; I176-L223 HydrophobicContact CG2-CD2 4.04Å; I176-L223 HydrophobicContact CG2-CG 3.72Å
177	D	98.6	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.6	-30.6	-179	-155.5	8.8	0	0	0	111	A173 R218 S536 A540 H568	A173-D177 WeakPolarHBondContact O-CB 3.34Å; A173-D177 PolarHBondContact O-N 3.28Å; D177-R218 HydrophobicContact CB-CB 4.44Å; D177-R218 IonicContact OD2-NH1 3.34Å; D177-R218 PolarHBondContact OD2-NH1 3.15Å; D177-R218 VanDerWaalsContact OD2-NH1 3.17Å; D177-S536 WeakPolarHBondContact OD2-CB 3.34Å; D177-S536 PolarHBondContact OD2-OG 3Å; D177-A540 HydrophobicContact CB-CB 4.19Å; D177-A540 VanDerWaalsContact CG-CB 3.5Å; D177-A540 WeakPolarHBondContact O-CB 3.36Å; D177-A540 VanDerWaalsContact OD1-CB 3.3Å; D177-A540 WeakPolarHBondContact OD1-CB 3.34Å; D177-H568 PolarHBondContact O-CE1 3.47Å; D177-H568 IonicContact OD1-CE1 3.79Å; D177-H568 PolarHBondContact OD1-CE1 3.46Å; D177-H568 IonicContact OD1-NE2 3.43Å; D177-H568 PolarHBondContact OD1-NE2 3.44Å; D177-H568 VanDerWaalsContact OD1-NE2 3.1Å
178	S	98.7	Very high	98	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	0.3	179.3	70.5	0	0	0	0	115.9	W140 S174 I176 D180 T181 L182	W140-S178 VanDerWaalsContact CZ3-OG 3.32Å; W140-S178 WeakPolarHBondContact CZ3-OG 3.24Å; S174-S178 VanDerWaalsContact O-CB 3.27Å; S174-S178 WeakPolarHBondContact O-CB 3.31Å; S174-S178 PolarHBondContact O-N 3.39Å; S174-S178 PolarHBondContact O-OG 2.97Å; I176-S178 PolarHBondContact O-N 2.75Å; S178-D180 VanDerWaalsContact C-N 3.35Å; S178-D180 PolarHBondContact O-N 3.41Å; S178-T181 WeakPolarHBondContact O-CB 3.13Å; S178-T181 PolarHBondContact O-N 3.24Å; S178-T181 VanDerWaalsContact O-N 3.16Å; S178-L182 WeakPolarHBondContact O-CG 3.34Å; S178-L182 PolarHBondContact O-N 3.47Å
179	L	98.8	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.9	-49.2	-174.2	-75.2	171.6	0	0	0	112.6	L175 I176 L182 Y183 F191 A194 V195 I198 L223 A226 L235	L175-L179 WeakPolarHBondContact O-CG 3.39Å; I176-L179 HydrophobicContact CG2-CD1 4.4Å; I176-L179 WeakPolarHBondContact O-CB 3.35Å; I176-L179 VanDerWaalsContact O-CG 3.3Å; I176-L179 WeakPolarHBondContact O-CG 3.27Å; I176-L179 PolarHBondContact O-N 2.88Å; L179-L182 PolarHBondContact O-N 2.67Å; L179-Y183 PolarHBondContact O-N 2.97Å; L179-F191 HydrophobicContact CB-CD2 4.37Å; L179-F191 HydrophobicContact CB-CE2 4.19Å; L179-F191 HydrophobicContact CD2-CD2 4.14Å; L179-F191 HydrophobicContact CD2-CE2 4.19Å; L179-F191 VanDerWaalsContact O-CD2 3.25Å; L179-F191 WeakPolarHBondContact O-CD2 3.24Å; L179-A194 HydrophobicContact CD2-CB 3.59Å; L179-V195 HydrophobicContact CD2-CG2 4.23Å; L179-I198 HydrophobicContact CD1-CD1 3.63Å; L179-I198 HydrophobicContact CD2-CD1 4.11Å; L179-I198 HydrophobicContact CG-CD1 4.35Å; L179-L223 HydrophobicContact CD1-CD2 4.14Å; L179-A226 HydrophobicContact CB-CB 3.64Å; L179-A226 HydrophobicContact CD1-CB 3.92Å; L179-A226 HydrophobicContact CG-CB 4.41Å; L179-L235 HydrophobicContact CD1-CD2 4.11Å
180	D	98.7	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-67.7	-38.5	-178.9	65.1	-1.2	0	0	0	111.2	S178 L182 Y183 I184 F229 K544 H568 P569	S178-D180 VanDerWaalsContact C-N 3.35Å; S178-D180 PolarHBondContact O-N 3.41Å; D180-L182 PolarHBondContact O-N 2.79Å; D180-Y183 WeakPolarHBondContact O-CB 3.38Å; D180-Y183 PolarHBondContact O-N 3.42Å; D180-I184 HydrophobicContact CB-CD1 4.49Å; D180-I184 WeakPolarHBondContact O-CB 3.46Å; D180-I184 VanDerWaalsContact O-CD1 3.29Å; D180-I184 WeakPolarHBondContact O-CD1 3.28Å; D180-I184 WeakPolarHBondContact O-CG1 3.44Å; D180-I184 PolarHBondContact O-N 3.44Å; D180-F229 HydrophobicContact CB-CD2 4.27Å; D180-F229 HydrophobicContact CB-CE2 3.89Å; D180-K544 WeakPolarHBondContact OD1-CE 3.38Å; D180-K544 IonicContact OD1-NZ 3.35Å; D180-K544 PolarHBondContact OD1-NZ 3.38Å; D180-K544 IonicContact OD2-NZ 3.44Å; D180-K544 PolarHBondContact OD2-NZ 2.75Å; D180-H568 IonicContact OD1-ND1 2.75Å; D180-H568 VanDerWaalsContact OD2-CA 3.28Å; D180-H568 WeakPolarHBondContact OD2-CA 3.41Å; D180-H568 IonicContact OD2-CE1 3.26Å; D180-H568 IonicContact OD2-CG 2.82Å; D180-H568 IonicContact OD2-ND1 3.87Å; D180-H568 PolarHBondContact OD2-ND1 3.39Å; D180-P569 WeakPolarHBondContact OD2-CD 3.49Å
181	T	98.9	Very high	98.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.2	-49.9	173.3	-52.4	0	0	0	0	111	M136 S178 Y183 I184 M185 L539 A540 K544	M136-T181 HydrophobicContact CE-CG2 3.93Å; M136-T181 HydrophobicContact CG-CG2 4.37Å; M136-T181 HydrophobicContact SD-CG2 3.99Å; S178-T181 WeakPolarHBondContact O-CB 3.13Å; S178-T181 PolarHBondContact O-N 3.24Å; S178-T181 VanDerWaalsContact O-N 3.16Å; T181-Y183 VanDerWaalsContact C-N 3.26Å; T181-Y183 PolarHBondContact O-N 2.87Å; T181-I184 PolarHBondContact O-N 3.3Å; T181-M185 HydrophobicContact CG2-CE 3.36Å; T181-M185 HydrophobicContact CG2-CG 4.32Å; T181-M185 HydrophobicContact CG2-SD 3.97Å; T181-M185 WeakPolarHBondContact O-CB 3.48Å; T181-M185 WeakPolarHBondContact O-CG 3.43Å; T181-M185 PolarHBondContact O-N 3.33Å; T181-L539 VanDerWaalsContact CG2-O 3.25Å; T181-L539 WeakPolarHBondContact CG2-O 3.41Å; T181-L539 PolarHBondContact OG1-O 2.93Å; T181-A540 PolarHBondContact OG1-O 3.22Å; T181-K544 HydrophobicContact CG2-CB 4.23Å; T181-K544 WeakPolarHBondContact OG1-CE 3.32Å; T181-K544 PolarHBondContact OG1-NZ 3.12Å
182	L	98.9	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-58.1	-43.2	177.8	-68.5	170.5	0	0	0	110.8	M136 W140 S178 L179 D180 L187 E190 F191	M136-L182 HydrophobicContact CE-CD2 3.44Å; M136-L182 VanDerWaalsContact CE-CD2 3.44Å; M136-L182 HydrophobicContact CE-CG 3.79Å; W140-L182 HydrophobicContact CD2-CD1 4.11Å; W140-L182 HydrophobicContact CD2-CD2 3.95Å; W140-L182 HydrophobicContact CE3-CD1 3.79Å; W140-L182 HydrophobicContact CE3-CD2 4.07Å; W140-L182 HydrophobicContact CE3-CG 4.36Å; W140-L182 HydrophobicContact CG-CD2 4.15Å; W140-L182 HydrophobicContact CH2-CD1 3.57Å; W140-L182 HydrophobicContact CZ2-CD1 3.89Å; W140-L182 HydrophobicContact CZ3-CD1 3.54Å; S178-L182 WeakPolarHBondContact O-CG 3.34Å; S178-L182 PolarHBondContact O-N 3.47Å; L179-L182 PolarHBondContact O-N 2.67Å; D180-L182 PolarHBondContact O-N 2.79Å; L182-L187 HydrophobicContact CB-CB 4.32Å; L182-L187 HydrophobicContact CD2-CB 3.98Å; L182-L187 HydrophobicContact CD2-CD1 3.83Å; L182-L187 WeakPolarHBondContact O-CA 3.45Å; L182-L187 WeakPolarHBondContact O-CB 3.25Å; L182-L187 PolarHBondContact O-N 3.49Å; L182-E190 HydrophobicContact CD1-CB 4.33Å; L182-E190 HydrophobicContact CD2-CB 3.87Å; L182-F191 HydrophobicContact CB-CB 4.07Å
183	Y	98.7	Very high	98.6	Very high	38 Å²	38	21.3 Å²	21.3	15%	0.149	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-51.8	177.3	-162.3	-81.8	0	0	0	111.4	I115 Q116 L179 D180 T181 M185 N186 F191 F229	I115-Y183 HydrophobicContact CD1-CE1 3.67Å; I115-Y183 HydrophobicContact CG1-CE1 4.18Å; Q116-Y183 HydrophobicContact CG-CD1 3.86Å; Q116-Y183 HydrophobicContact CG-CE1 3.69Å; Q116-Y183 WeakPolarHBondContact CG-O 3.47Å; Q116-Y183 PolarHBondContact NE2-O 2.96Å; L179-Y183 PolarHBondContact O-N 2.97Å; D180-Y183 WeakPolarHBondContact O-CB 3.38Å; D180-Y183 PolarHBondContact O-N 3.42Å; T181-Y183 VanDerWaalsContact C-N 3.26Å; T181-Y183 PolarHBondContact O-N 2.87Å; Y183-M185 VanDerWaalsContact C-N 3.27Å; Y183-M185 PolarHBondContact O-N 2.96Å; Y183-N186 PolarHBondContact O-N 3.34Å; Y183-N186 VanDerWaalsContact O-N 3.07Å; Y183-F191 AromaticContact CD2-CD1 3.77Å; Y183-F191 HydrophobicContact CD2-CD1 3.77Å; Y183-F191 HydrophobicContact CD2-CD2 4.06Å; Y183-F191 AromaticContact CD2-CE1 3.69Å; Y183-F191 HydrophobicContact CD2-CE1 3.69Å; Y183-F191 AromaticContact CD2-CE2 3.96Å; Y183-F191 HydrophobicContact CD2-CE2 3.96Å; Y183-F191 AromaticContact CD2-CG 3.96Å; Y183-F191 HydrophobicContact CD2-CG 3.96Å; Y183-F191 AromaticContact CD2-CZ 3.78Å; Y183-F191 HydrophobicContact CD2-CZ 3.78Å; Y183-F191 HydrophobicContact CE2-CD1 4.33Å; Y183-F191 HydrophobicContact CE2-CE1 4.04Å; Y183-F191 HydrophobicContact CE2-CZ 4.36Å; Y183-F229 HydrophobicContact CD1-CB 3.77Å; Y183-F229 HydrophobicContact CD1-CD2 4.01Å; Y183-F229 HydrophobicContact CD1-CG 4.2Å; Y183-F229 HydrophobicContact CE1-CB 3.74Å; Y183-F229 HydrophobicContact CE1-CG 4.49Å; Y183-F229 HydrophobicContact CG-CB 4.21Å; Y183-F229 HydrophobicContact CG-CD2 4.35Å; Y183-F229 PolarHBondContact OH-O 2.98Å
184	I	98.8	Very high	98.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-55.7	-42.6	-180	-71.5	158.9	0	0	0	111.2	I115 D180 T181 N186 F229 K544 Y547 L548 L555 L556 P569	I115-I184 WeakPolarHBondContact O-CA 3.49Å; D180-I184 HydrophobicContact CB-CD1 4.49Å; D180-I184 WeakPolarHBondContact O-CB 3.46Å; D180-I184 VanDerWaalsContact O-CD1 3.29Å; D180-I184 WeakPolarHBondContact O-CD1 3.28Å; D180-I184 WeakPolarHBondContact O-CG1 3.44Å; D180-I184 PolarHBondContact O-N 3.44Å; T181-I184 PolarHBondContact O-N 3.3Å; I184-N186 PolarHBondContact O-N 3Å; I184-F229 HydrophobicContact CD1-CE2 3.91Å; I184-F229 HydrophobicContact CD1-CZ 4.39Å; I184-F229 HydrophobicContact CG1-CE2 3.8Å; I184-F229 HydrophobicContact CG1-CZ 4.41Å; I184-K544 HydrophobicContact CD1-CD 4.29Å; I184-Y547 HydrophobicContact CG2-CD1 4.17Å; I184-Y547 HydrophobicContact CG2-CE1 4Å; I184-L548 HydrophobicContact CG2-CD2 4.41Å; I184-L555 HydrophobicContact CG2-CD1 4.29Å; I184-L555 HydrophobicContact CG2-CD2 4.06Å; I184-L556 HydrophobicContact CD1-CD1 3.69Å; I184-L556 HydrophobicContact CG1-CD1 4.14Å; I184-P569 HydrophobicContact CD1-CG 4.14Å
185	M	98.7	Very high	98.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	13.7	-178.4	-64.6	-171.5	-170.7	0	0	114	R133 M136 T181 Y183 L187 L543 Y547	R133-M185 WeakPolarHBondContact CD-O 3.46Å; R133-M185 HydrophobicContact CG-CB 4.31Å; R133-M185 PolarHBondContact NE-O 3.08Å; M136-M185 HydrophobicContact CB-CE 4.17Å; M136-M185 HydrophobicContact CB-SD 3.44Å; M136-M185 WeakPolarHBondContact CB-SD 3.41Å; M136-M185 HydrophobicContact CG-CE 4.28Å; M136-M185 HydrophobicContact CG-SD 3.51Å; M136-M185 VanDerWaalsContact CG-SD 3.51Å; T181-M185 HydrophobicContact CG2-CE 3.36Å; T181-M185 HydrophobicContact CG2-CG 4.32Å; T181-M185 HydrophobicContact CG2-SD 3.97Å; T181-M185 WeakPolarHBondContact O-CB 3.48Å; T181-M185 WeakPolarHBondContact O-CG 3.43Å; T181-M185 PolarHBondContact O-N 3.33Å; Y183-M185 VanDerWaalsContact C-N 3.27Å; Y183-M185 PolarHBondContact O-N 2.96Å; M185-L187 HydrophobicContact CB-CD1 4.22Å; M185-L187 HydrophobicContact CB-CG 4.18Å; M185-L187 PolarHBondContact O-N 2.94Å; M185-L543 HydrophobicContact CE-CB 4.25Å; M185-L543 VanDerWaalsContact CE-O 3.28Å; M185-L543 WeakPolarHBondContact CE-O 3.25Å; M185-Y547 HydrophobicContact CB-CE2 4.47Å; M185-Y547 HydrophobicContact CE-CD1 4.48Å; M185-Y547 HydrophobicContact CE-CD2 4.31Å; M185-Y547 HydrophobicContact CE-CG 3.92Å; M185-Y547 HydrophobicContact CG-CD1 3.95Å; M185-Y547 HydrophobicContact CG-CD2 4.05Å; M185-Y547 HydrophobicContact CG-CE1 3.92Å; M185-Y547 HydrophobicContact CG-CE2 4.03Å; M185-Y547 HydrophobicContact CG-CG 3.98Å; M185-Y547 HydrophobicContact SD-CD2 4.29Å; M185-Y547 HydrophobicContact SD-CG 4.38Å
186	N	98.2	Very high	98.6	Very high	37 Å²	37	27.5 Å²	27.5	20%	0.198	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	31.8	-176	-65.6	-90.4	0	0	0	113.4	Q116 R133 Y183 I184 N188	Q116-N186 PolarHBondContact O-ND2 2.76Å; R133-N186 PolarHBondContact NH2-O 3.42Å; R133-N186 VanDerWaalsContact NH2-O 3.15Å; Y183-N186 PolarHBondContact O-N 3.34Å; Y183-N186 VanDerWaalsContact O-N 3.07Å; I184-N186 PolarHBondContact O-N 3Å; N186-N188 PolarHBondContact O-N 2.98Å
187	L	98.6	Very high	98.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.01	14%	0.139	C	C	.	.			trans	-91.3	54.2	171.3	-61.8	173.9	0	0	0	108.8	R133 M136 K137 L182 M185 K189 E190 F191	R133-L187 HydrophobicContact CG-CD2 4.47Å; M136-L187 HydrophobicContact CB-CD1 4.33Å; M136-L187 HydrophobicContact CG-CD1 3.71Å; K137-L187 HydrophobicContact CB-CD2 4.44Å; K137-L187 HydrophobicContact CD-CD2 4.32Å; L182-L187 HydrophobicContact CB-CB 4.32Å; L182-L187 HydrophobicContact CD2-CB 3.98Å; L182-L187 HydrophobicContact CD2-CD1 3.83Å; L182-L187 WeakPolarHBondContact O-CA 3.45Å; L182-L187 WeakPolarHBondContact O-CB 3.25Å; L182-L187 PolarHBondContact O-N 3.49Å; M185-L187 HydrophobicContact CB-CD1 4.22Å; M185-L187 HydrophobicContact CB-CG 4.18Å; M185-L187 PolarHBondContact O-N 2.94Å; L187-K189 VanDerWaalsContact C-N 3.26Å; L187-K189 PolarHBondContact O-N 3.05Å; L187-E190 VanDerWaalsContact C-OE2 3.26Å; L187-E190 WeakPolarHBondContact CA-OE2 3.24Å; L187-E190 HydrophobicContact CB-CB 4.18Å; L187-E190 HydrophobicContact CB-CG 4.37Å; L187-E190 WeakPolarHBondContact CB-OE2 3.43Å; L187-E190 WeakPolarHBondContact O-CB 3.36Å; L187-E190 PolarHBondContact O-N 2.97Å; L187-F191 PolarHBondContact O-N 3.08Å
188	N	98.2	Very high	98.6	Very high	52 Å²	52	28.8 Å²	28.8	28%	0.278	14%	0.139	S	C	.	.	H	α-helix	trans	-64.8	-28.3	-170.5	-69.6	-57.4	0	0	0	113.1	Q116 N186 N192	Q116-N188 PolarHBondContact NE2-ND2 3.19Å; Q116-N188 PolarHBondContact NE2-OD1 3.41Å; N186-N188 PolarHBondContact O-N 2.98Å; N188-N192 WeakPolarHBondContact O-CB 3.08Å; N188-N192 VanDerWaalsContact O-CG 3.3Å; N188-N192 PolarHBondContact O-N 3.31Å; N188-N192 PolarHBondContact O-ND2 3.32Å
189	K	98.6	Very high	98.6	Very high	165 Å²	165	34.8 Å²	34.8	72%	0.717	17%	0.167	S	C	*	.	H	α-helix	trans	-68.6	-48.4	177	-179	-173.2	175.8	-173.1	0	109.8	L187 N192 T193	L187-K189 VanDerWaalsContact C-N 3.26Å; L187-K189 PolarHBondContact O-N 3.05Å; K189-N192 PolarHBondContact O-N 2.93Å; K189-T193 WeakPolarHBondContact O-CB 3.22Å; K189-T193 PolarHBondContact O-N 2.8Å; K189-T193 PolarHBondContact O-OG1 3.28Å
190	E	98.7	Very high	98.5	Very high	23 Å²	23	39.2 Å²	39.2	11%	0.107	19%	0.194	C	C	.	.	H	α-helix	trans	-60	-48.8	177.2	-64.3	79.1	-179	0	0	110.3	K137 W140 L182 L187 N192 T193 A194	K137-E190 WeakPolarHBondContact CE-OE1 3.48Å; W140-E190 HydrophobicContact CG-CG 4.37Å; W140-E190 HydrophobicContact CZ2-CB 4.3Å; L182-E190 HydrophobicContact CD1-CB 4.33Å; L182-E190 HydrophobicContact CD2-CB 3.87Å; L187-E190 VanDerWaalsContact C-OE2 3.26Å; L187-E190 WeakPolarHBondContact CA-OE2 3.24Å; L187-E190 HydrophobicContact CB-CB 4.18Å; L187-E190 HydrophobicContact CB-CG 4.37Å; L187-E190 WeakPolarHBondContact CB-OE2 3.43Å; L187-E190 WeakPolarHBondContact O-CB 3.36Å; L187-E190 PolarHBondContact O-N 2.97Å; E190-N192 PolarHBondContact O-N 3.1Å; E190-T193 PolarHBondContact O-N 3.07Å; E190-A194 PolarHBondContact O-N 3.21Å
191	F	98.8	Very high	98.5	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-54.1	-52.9	173.2	173.5	-98.7	0	0	0	112.5	L179 L182 Y183 L187 T193 A194 V195 A226 K232 L235	L179-F191 HydrophobicContact CB-CD2 4.37Å; L179-F191 HydrophobicContact CB-CE2 4.19Å; L179-F191 HydrophobicContact CD2-CD2 4.14Å; L179-F191 HydrophobicContact CD2-CE2 4.19Å; L179-F191 VanDerWaalsContact O-CD2 3.25Å; L179-F191 WeakPolarHBondContact O-CD2 3.24Å; L182-F191 HydrophobicContact CB-CB 4.07Å; Y183-F191 AromaticContact CD2-CD1 3.77Å; Y183-F191 HydrophobicContact CD2-CD1 3.77Å; Y183-F191 HydrophobicContact CD2-CD2 4.06Å; Y183-F191 AromaticContact CD2-CE1 3.69Å; Y183-F191 HydrophobicContact CD2-CE1 3.69Å; Y183-F191 AromaticContact CD2-CE2 3.96Å; Y183-F191 HydrophobicContact CD2-CE2 3.96Å; Y183-F191 AromaticContact CD2-CG 3.96Å; Y183-F191 HydrophobicContact CD2-CG 3.96Å; Y183-F191 AromaticContact CD2-CZ 3.78Å; Y183-F191 HydrophobicContact CD2-CZ 3.78Å; Y183-F191 HydrophobicContact CE2-CD1 4.33Å; Y183-F191 HydrophobicContact CE2-CE1 4.04Å; Y183-F191 HydrophobicContact CE2-CZ 4.36Å; L187-F191 PolarHBondContact O-N 3.08Å; F191-T193 VanDerWaalsContact C-N 3.29Å; F191-T193 PolarHBondContact O-N 2.94Å; F191-A194 WeakPolarHBondContact O-CB 3.44Å; F191-A194 PolarHBondContact O-N 3.32Å; F191-A194 VanDerWaalsContact O-N 3.15Å; F191-V195 HydrophobicContact CD1-CG2 4.26Å; F191-V195 HydrophobicContact CD2-CG2 4.39Å; F191-V195 HydrophobicContact CE1-CG2 3.8Å; F191-V195 HydrophobicContact CE2-CG2 3.96Å; F191-V195 HydrophobicContact CZ-CG2 3.64Å; F191-V195 WeakPolarHBondContact O-CG2 3.45Å; F191-V195 PolarHBondContact O-N 3Å; F191-A226 HydrophobicContact CE2-CB 4.03Å; F191-K232 HydrophobicContact CE1-CD 4.26Å; F191-L235 HydrophobicContact CZ-CD1 4.33Å
192	N	98.6	Very high	98.4	Very high	71 Å²	71	44.1 Å²	44.1	38%	0.38	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-35.7	-178.2	-75.4	-49.4	0	0	0	112.2	N188 K189 E190 A194 V195 E196 K232	N188-N192 WeakPolarHBondContact O-CB 3.08Å; N188-N192 VanDerWaalsContact O-CG 3.3Å; N188-N192 PolarHBondContact O-N 3.31Å; N188-N192 PolarHBondContact O-ND2 3.32Å; K189-N192 PolarHBondContact O-N 2.93Å; E190-N192 PolarHBondContact O-N 3.1Å; N192-A194 VanDerWaalsContact C-N 3.33Å; N192-V195 PolarHBondContact O-N 3.38Å; N192-E196 WeakPolarHBondContact O-CB 3.42Å; N192-E196 PolarHBondContact O-N 3.43Å; N192-K232 WeakPolarHBondContact OD1-CE 3.13Å; N192-K232 PolarHBondContact OD1-NZ 2.87Å
193	T	98.4	Very high	98.4	Very high	59 Å²	59	47.1 Å²	47.1	36%	0.362	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-39.6	175.4	-51.5	0	0	0	0	111	W148 K189 E190 F191 E196 W197	W148-T193 HydrophobicContact CH2-CG2 4.02Å; W148-T193 HydrophobicContact CZ2-CG2 3.91Å; K189-T193 WeakPolarHBondContact O-CB 3.22Å; K189-T193 PolarHBondContact O-N 2.8Å; K189-T193 PolarHBondContact O-OG1 3.28Å; E190-T193 PolarHBondContact O-N 3.07Å; F191-T193 VanDerWaalsContact C-N 3.29Å; F191-T193 PolarHBondContact O-N 2.94Å; T193-E196 PolarHBondContact O-N 3.04Å; T193-W197 PolarHBondContact O-N 2.82Å; T193-W197 VanDerWaalsContact O-N 3.1Å
194	A	98.6	Very high	98.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64.4	-45.1	174.5	0	0	0	0	0	111.8	W140 L175 L179 E190 F191 N192 E196 W197 I198	W140-A194 HydrophobicContact CH2-CB 3.78Å; W140-A194 HydrophobicContact CZ2-CB 4.17Å; L175-A194 HydrophobicContact CD1-CB 4.38Å; L175-A194 HydrophobicContact CD2-CB 3.79Å; L175-A194 HydrophobicContact CG-CB 3.81Å; L179-A194 HydrophobicContact CD2-CB 3.59Å; E190-A194 PolarHBondContact O-N 3.21Å; F191-A194 WeakPolarHBondContact O-CB 3.44Å; F191-A194 PolarHBondContact O-N 3.32Å; F191-A194 VanDerWaalsContact O-N 3.15Å; N192-A194 VanDerWaalsContact C-N 3.33Å; A194-E196 VanDerWaalsContact C-N 3.34Å; A194-E196 PolarHBondContact O-N 3.36Å; A194-W197 WeakPolarHBondContact O-CB 3.47Å; A194-W197 PolarHBondContact O-N 2.84Å; A194-I198 WeakPolarHBondContact O-CG1 3.46Å; A194-I198 PolarHBondContact O-N 2.59Å
195	V	98.7	Very high	98.3	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.03	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-40.5	177.3	179.6	0	0	0	0	111.8	L179 F191 N192 W197 I198 E199 K232 I234 L235	L179-V195 HydrophobicContact CD2-CG2 4.23Å; F191-V195 HydrophobicContact CD1-CG2 4.26Å; F191-V195 HydrophobicContact CD2-CG2 4.39Å; F191-V195 HydrophobicContact CE1-CG2 3.8Å; F191-V195 HydrophobicContact CE2-CG2 3.96Å; F191-V195 HydrophobicContact CZ-CG2 3.64Å; F191-V195 WeakPolarHBondContact O-CG2 3.45Å; F191-V195 PolarHBondContact O-N 3Å; N192-V195 PolarHBondContact O-N 3.38Å; V195-W197 VanDerWaalsContact C-N 3.3Å; V195-W197 PolarHBondContact O-N 3.33Å; V195-I198 WeakPolarHBondContact O-CB 3.43Å; V195-I198 PolarHBondContact O-N 3.48Å; V195-E199 PolarHBondContact O-N 3.17Å; V195-K232 HydrophobicContact CB-CD 4.39Å; V195-K232 HydrophobicContact CG1-CD 3.77Å; V195-K232 HydrophobicContact CG2-CD 4.25Å; V195-I234 HydrophobicContact CG1-CG2 3.96Å; V195-L235 HydrophobicContact CG1-CD2 4.29Å; V195-L235 HydrophobicContact CG2-CD1 4.35Å; V195-L235 HydrophobicContact CG2-CD2 4.21Å
196	E	98.5	Very high	98.2	Very high	124 Å²	124	51.8 Å²	51.8	58%	0.579	26%	0.261	S	S	*	.	H	α-helix	trans	-59.5	-41.9	174.3	-177.6	179.3	177.9	0	0	111.3	N192 T193 A194 E199 T200	N192-E196 WeakPolarHBondContact O-CB 3.42Å; N192-E196 PolarHBondContact O-N 3.43Å; T193-E196 PolarHBondContact O-N 3.04Å; A194-E196 VanDerWaalsContact C-N 3.34Å; A194-E196 PolarHBondContact O-N 3.36Å; E196-E199 PolarHBondContact O-N 3.21Å; E196-T200 WeakPolarHBondContact O-CB 3.39Å; E196-T200 WeakPolarHBondContact O-CG2 3.2Å; E196-T200 PolarHBondContact O-N 3.19Å; E196-T200 PolarHBondContact O-OG1 3.5Å
197	W	98.5	Very high	98.1	Very high	28 Å²	28	54.4 Å²	54.4	11%	0.106	28%	0.275	C	S	.	.	H	α-helix	trans	-63.5	-41.2	175	-176.7	90	0	0	0	112.4	W148 G149 L175 T193 A194 V195 E199 T200 N201 L202	W148-W197 AromaticContact CD1-CD1 3.97Å; W148-W197 AromaticContact CE2-CD1 3.93Å; W148-W197 HydrophobicContact CZ2-CB 3.86Å; W148-W197 HydrophobicContact CZ2-CG 4.2Å; W148-W197 AromaticContact NE1-CD1 3.31Å; W148-W197 VanDerWaalsContact NE1-CD1 3.31Å; W148-W197 AromaticContact NE1-CG 3.99Å; W148-W197 AromaticContact NE1-NE1 3.95Å; G149-W197 VanDerWaalsContact CA-CZ2 3.41Å; L175-W197 HydrophobicContact CD1-CB 4.03Å; L175-W197 HydrophobicContact CD1-CD2 3.71Å; L175-W197 HydrophobicContact CD1-CE3 3.6Å; L175-W197 HydrophobicContact CD1-CG 3.91Å; L175-W197 HydrophobicContact CD1-CZ3 4.33Å; L175-W197 HydrophobicContact CD2-CE3 3.82Å; L175-W197 HydrophobicContact CD2-CZ3 4.33Å; L175-W197 HydrophobicContact CG-CE3 4.32Å; T193-W197 PolarHBondContact O-N 2.82Å; T193-W197 VanDerWaalsContact O-N 3.1Å; A194-W197 WeakPolarHBondContact O-CB 3.47Å; A194-W197 PolarHBondContact O-N 2.84Å; V195-W197 VanDerWaalsContact C-N 3.3Å; V195-W197 PolarHBondContact O-N 3.33Å; W197-E199 VanDerWaalsContact C-N 3.32Å; W197-E199 PolarHBondContact O-N 2.87Å; W197-T200 PolarHBondContact O-N 2.89Å; W197-N201 VanDerWaalsContact CD1-ND2 3.32Å; W197-N201 HydrophobicContact CD2-CB 4.17Å; W197-N201 HydrophobicContact CG-CB 4.31Å; W197-N201 HydrophobicContact CZ2-CB 4.2Å; W197-N201 WeakPolarHBondContact O-CA 3.4Å; W197-N201 WeakPolarHBondContact O-CB 3.48Å; W197-N201 PolarHBondContact O-N 3.48Å; W197-L202 HydrophobicContact CE3-CB 4.46Å; W197-L202 HydrophobicContact CH2-CB 4.46Å; W197-L202 HydrophobicContact CH2-CD1 4.14Å; W197-L202 HydrophobicContact CZ3-CB 3.95Å; W197-L202 HydrophobicContact CZ3-CD1 3.99Å; W197-L202 HydrophobicContact CZ3-CG 4.44Å; W197-L202 PolarHBondContact O-N 3.08Å
198	I	98.7	Very high	98.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-43.4	175.8	-70.8	167.6	0	0	0	111.2	L175 I176 L179 A194 V195 L202 L223 L235 K238	L175-I198 HydrophobicContact CD2-CD1 3.72Å; L175-I198 HydrophobicContact CD2-CG1 3.64Å; I176-I198 HydrophobicContact CG1-CD1 4.01Å; I176-I198 HydrophobicContact CG1-CG1 4.28Å; L179-I198 HydrophobicContact CD1-CD1 3.63Å; L179-I198 HydrophobicContact CD2-CD1 4.11Å; L179-I198 HydrophobicContact CG-CD1 4.35Å; A194-I198 WeakPolarHBondContact O-CG1 3.46Å; A194-I198 PolarHBondContact O-N 2.59Å; V195-I198 WeakPolarHBondContact O-CB 3.43Å; V195-I198 PolarHBondContact O-N 3.48Å; I198-L202 HydrophobicContact CB-CD2 4.48Å; I198-L202 HydrophobicContact CG1-CD2 4.27Å; I198-L202 HydrophobicContact CG2-CB 4.43Å; I198-L202 HydrophobicContact CG2-CD2 3.92Å; I198-L202 WeakPolarHBondContact O-CB 3.27Å; I198-L202 PolarHBondContact O-N 3Å; I198-L223 HydrophobicContact CD1-CD2 4.16Å; I198-L235 HydrophobicContact CD1-CD2 4.03Å; I198-L235 HydrophobicContact CG2-CD2 4.48Å; I198-K238 HydrophobicContact CG2-CB 4.45Å; I198-K238 HydrophobicContact CG2-CG 3.81Å
199	E	98	Very high	98	Very high	126 Å²	126	53.9 Å²	53.9	59%	0.589	27%	0.271	S	S	*	.	H	α-helix	trans	-66.4	-38.5	179.9	-174.9	168.9	-170.1	0	0	112.1	V195 E196 W197 I234	V195-E199 PolarHBondContact O-N 3.17Å; E196-E199 PolarHBondContact O-N 3.21Å; W197-E199 VanDerWaalsContact C-N 3.32Å; W197-E199 PolarHBondContact O-N 2.87Å; E199-I234 HydrophobicContact CB-CG1 4.04Å; E199-I234 HydrophobicContact CG-CG1 4.17Å
200	T	97.7	Very high	98	Very high	92 Å²	92	46 Å²	46	56%	0.564	24%	0.237	S	C	*	.	H	α-helix	trans	-96.3	-29.2	-170.5	52.6	0	0	0	0	114.7	E196 W197	E196-T200 WeakPolarHBondContact O-CB 3.39Å; E196-T200 WeakPolarHBondContact O-CG2 3.2Å; E196-T200 PolarHBondContact O-N 3.19Å; E196-T200 PolarHBondContact O-OG1 3.5Å; W197-T200 PolarHBondContact O-N 2.89Å
201	N	97.6	Very high	98	Very high	97 Å²	97	45 Å²	45	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-125.3	-25.3	-168.5	-60.4	-78.8	0	0	0	114.7	W197 D203	W197-N201 VanDerWaalsContact CD1-ND2 3.32Å; W197-N201 HydrophobicContact CD2-CB 4.17Å; W197-N201 HydrophobicContact CG-CB 4.31Å; W197-N201 HydrophobicContact CZ2-CB 4.2Å; W197-N201 WeakPolarHBondContact O-CA 3.4Å; W197-N201 WeakPolarHBondContact O-CB 3.48Å; W197-N201 PolarHBondContact O-N 3.48Å; N201-D203 PolarHBondContact O-N 3.37Å; N201-D203 VanDerWaalsContact O-N 3.15Å
202	L	97.8	Very high	98	Very high	7 Å²	7	45.1 Å²	45.1	4%	0.037	23%	0.233	C	C	.	.			trans	-73.2	112.5	-174.2	-177.4	64.1	0	0	0	111.2	L171 I176 W197 I198 F204 K238	L171-L202 HydrophobicContact CD2-CD1 4.49Å; I176-L202 HydrophobicContact CD1-CD1 4.19Å; I176-L202 HydrophobicContact CD1-CD2 3.61Å; W197-L202 HydrophobicContact CE3-CB 4.46Å; W197-L202 HydrophobicContact CH2-CB 4.46Å; W197-L202 HydrophobicContact CH2-CD1 4.14Å; W197-L202 HydrophobicContact CZ3-CB 3.95Å; W197-L202 HydrophobicContact CZ3-CD1 3.99Å; W197-L202 HydrophobicContact CZ3-CG 4.44Å; W197-L202 PolarHBondContact O-N 3.08Å; I198-L202 HydrophobicContact CB-CD2 4.48Å; I198-L202 HydrophobicContact CG1-CD2 4.27Å; I198-L202 HydrophobicContact CG2-CB 4.43Å; I198-L202 HydrophobicContact CG2-CD2 3.92Å; I198-L202 WeakPolarHBondContact O-CB 3.27Å; I198-L202 PolarHBondContact O-N 3Å; L202-F204 HydrophobicContact CD1-CD1 4.33Å; L202-F204 HydrophobicContact CD1-CE1 3.9Å; L202-F204 HydrophobicContact CD1-CZ 4.1Å; L202-F204 HydrophobicContact CD2-CE1 4.22Å; L202-F204 HydrophobicContact CD2-CE2 3.78Å; L202-F204 HydrophobicContact CD2-CZ 3.54Å; L202-F204 HydrophobicContact CG-CE1 4.28Å; L202-F204 HydrophobicContact CG-CE2 4.15Å; L202-F204 HydrophobicContact CG-CZ 4.01Å; L202-K238 HydrophobicContact CD2-CD 4.24Å; L202-K238 WeakPolarHBondContact O-CE 3.41Å; L202-K238 PolarHBondContact O-NZ 3.16Å
203	D	97.4	Very high	98	Very high	62 Å²	62	42.8 Å²	42.8	33%	0.332	22%	0.22	S	C	.	.			trans	-125.7	113.2	174.6	172.7	26.5	0	0	0	109.1	N201 N205 K206	N201-D203 PolarHBondContact O-N 3.37Å; N201-D203 VanDerWaalsContact O-N 3.15Å; D203-N205 PolarHBondContact O-N 3.31Å; D203-N205 WeakPolarHBondContact OD1-CA 3.42Å; D203-N205 WeakPolarHBondContact OD1-CB 3.46Å; D203-N205 PolarHBondContact OD1-N 2.9Å; D203-K206 WeakPolarHBondContact O-CE 3.46Å; D203-K206 WeakPolarHBondContact O-CG 3.49Å; D203-K206 IonicContact OD2-NZ 3.44Å
204	F	98.2	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.			trans	-79.7	-2.4	176.8	-66.5	-62.1	0	0	0	112.7	L171 L202 K206 F215 Y219 K238 L242 L263	L171-F204 HydrophobicContact CD2-CD1 4.32Å; L202-F204 HydrophobicContact CD1-CD1 4.33Å; L202-F204 HydrophobicContact CD1-CE1 3.9Å; L202-F204 HydrophobicContact CD1-CZ 4.1Å; L202-F204 HydrophobicContact CD2-CE1 4.22Å; L202-F204 HydrophobicContact CD2-CE2 3.78Å; L202-F204 HydrophobicContact CD2-CZ 3.54Å; L202-F204 HydrophobicContact CG-CE1 4.28Å; L202-F204 HydrophobicContact CG-CE2 4.15Å; L202-F204 HydrophobicContact CG-CZ 4.01Å; F204-K206 PolarHBondContact O-N 2.79Å; F204-F215 HydrophobicContact CD1-CE1 4.46Å; F204-F215 HydrophobicContact CE1-CE1 4.24Å; F204-Y219 AromaticContact CE1-CD1 3.93Å; F204-Y219 HydrophobicContact CE1-CD1 3.93Å; F204-Y219 HydrophobicContact CE1-CE1 4.22Å; F204-Y219 HydrophobicContact CZ-CD1 4.18Å; F204-K238 HydrophobicContact CE2-CB 4.38Å; F204-K238 HydrophobicContact CE2-CD 4.28Å; F204-L242 HydrophobicContact CD1-CD1 4.1Å; F204-L242 HydrophobicContact CD2-CB 3.95Å; F204-L242 HydrophobicContact CE1-CD1 4.23Å; F204-L242 HydrophobicContact CE1-CD2 4.16Å; F204-L242 HydrophobicContact CE2-CB 3.74Å; F204-L242 HydrophobicContact CE2-CD2 4.44Å; F204-L242 HydrophobicContact CG-CB 4.47Å; F204-L242 HydrophobicContact CG-CD1 4.28Å; F204-L242 HydrophobicContact CZ-CB 4.08Å; F204-L242 HydrophobicContact CZ-CD2 3.93Å; F204-L242 HydrophobicContact CZ-CG 4.4Å; F204-L263 HydrophobicContact CD1-CD1 4.44Å; F204-L263 VanDerWaalsContact O-CB 3.28Å; F204-L263 WeakPolarHBondContact O-CB 3.48Å
205	N	97.5	Very high	98	Very high	69 Å²	69	41.3 Å²	41.3	37%	0.369	21%	0.208	S	C	.	.			trans	-77.2	48	178.7	-159	25.9	0	0	0	114	D203 R245	D203-N205 PolarHBondContact O-N 3.31Å; D203-N205 WeakPolarHBondContact OD1-CA 3.42Å; D203-N205 WeakPolarHBondContact OD1-CB 3.46Å; D203-N205 PolarHBondContact OD1-N 2.9Å; N205-R245 VanDerWaalsContact CB-NH2 3.27Å; N205-R245 PolarHBondContact OD1-NH1 3.28Å
206	K	96.6	Very high	98	Very high	68 Å²	68	41 Å²	41	30%	0.296	21%	0.207	S	C	.	.			trans	-103.5	141	-175.3	-58.7	-60.9	-177.6	179.7	0	111.4	E169 L171 D203 F204 T208 K264	E169-K206 HydrophobicContact CB-CB 4.37Å; E169-K206 HydrophobicContact CB-CG 4.43Å; E169-K206 HydrophobicContact CG-CB 4.09Å; E169-K206 HydrophobicContact CG-CG 4.5Å; L171-K206 HydrophobicContact CD2-CG 3.95Å; D203-K206 WeakPolarHBondContact O-CE 3.46Å; D203-K206 WeakPolarHBondContact O-CG 3.49Å; D203-K206 IonicContact OD2-NZ 3.44Å; F204-K206 PolarHBondContact O-N 2.79Å; K206-T208 HydrophobicContact CB-CG2 3.96Å; K206-T208 PolarHBondContact O-N 2.78Å; K206-K264 VanDerWaalsContact O-CB 3.27Å; K206-K264 WeakPolarHBondContact O-CB 3.49Å; K206-K264 PolarHBondContact O-N 2.97Å; K206-K264 VanDerWaalsContact O-N 3.16Å
207	N	96.9	Very high	98	Very high	92 Å²	92	35.1 Å²	35.1	49%	0.492	18%	0.179	S	C	.	.	S	Bend	trans	-78	60	175	-170.3	32.9	0	0	0	110.9	N262 K264	N207-N262 PolarHBondContact OD1-ND2 2.99Å; N207-N262 PolarHBondContact OD1-OD1 3.34Å; N207-K264 HydrophobicContact CB-CB 4.48Å; N207-K264 HydrophobicContact CB-CD 4.03Å
208	T	97.4	Very high	98	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.031	18%	0.177	C	C	.	.			trans	-127.1	142.7	178.3	-175	0	0	0	0	109.8	G167 N168 E169 L171 K206 V210 N262 L263	G167-T208 WeakPolarHBondContact CA-OG1 3.41Å; N168-T208 PolarHBondContact N-OG1 3.43Å; E169-T208 HydrophobicContact CB-CG2 4.07Å; E169-T208 HydrophobicContact CG-CG2 4.01Å; L171-T208 HydrophobicContact CD1-CG2 3.99Å; K206-T208 HydrophobicContact CB-CG2 3.96Å; K206-T208 PolarHBondContact O-N 2.78Å; T208-V210 HydrophobicContact CG2-CG1 4.03Å; T208-N262 VanDerWaalsContact O-CA 3.3Å; T208-N262 WeakPolarHBondContact O-CA 3.34Å; T208-L263 HydrophobicContact CG2-CD1 4.28Å; T208-L263 PolarHBondContact O-N 2.64Å
209	Q	97.8	Very high	98	Very high	37 Å²	37	34.7 Å²	34.7	17%	0.173	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	141.6	168.5	-177	160.6	73	0	0	110.1	F164 G167 L260 I261 R269	F164-Q209 HydrophobicContact CE2-CB 4.47Å; F164-Q209 HydrophobicContact CE2-CG 4.48Å; F164-Q209 HydrophobicContact CZ-CG 4.29Å; G167-Q209 VanDerWaalsContact CA-O 3.29Å; G167-Q209 WeakPolarHBondContact CA-O 3.39Å; Q209-L260 HydrophobicContact CG-CB 3.81Å; Q209-L260 HydrophobicContact CG-CD1 4.49Å; Q209-L260 HydrophobicContact CG-CD2 4.48Å; Q209-I261 CarbonylContact C-O 3.12Å; Q209-I261 VanDerWaalsContact CA-O 3.3Å; Q209-I261 WeakPolarHBondContact CA-O 3.48Å; Q209-R269 VanDerWaalsContact NE2-NE 3.18Å
210	V	98.2	Very high	98.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	160.3	179.8	-57	0	0	0	0	110.8	T208 F215 L246 L260 I261 L263	T208-V210 HydrophobicContact CG2-CG1 4.03Å; V210-F215 HydrophobicContact CB-CD2 3.57Å; V210-F215 HydrophobicContact CB-CE2 3.33Å; V210-F215 HydrophobicContact CB-CG 4.35Å; V210-F215 HydrophobicContact CB-CZ 3.96Å; V210-F215 HydrophobicContact CG1-CD2 4.1Å; V210-F215 HydrophobicContact CG1-CE1 4.31Å; V210-F215 HydrophobicContact CG1-CE2 3.37Å; V210-F215 HydrophobicContact CG1-CZ 3.5Å; V210-F215 HydrophobicContact CG2-CD2 3.85Å; V210-F215 HydrophobicContact CG2-CE2 4Å; V210-F215 HydrophobicContact CG2-CG 4.16Å; V210-F215 HydrophobicContact CG2-CZ 4.45Å; V210-L246 HydrophobicContact CG2-CD2 4.48Å; V210-L260 VanDerWaalsContact O-CA 3.28Å; V210-L260 WeakPolarHBondContact O-CA 3.18Å; V210-I261 HydrophobicContact CG2-CG2 3.87Å; V210-I261 PolarHBondContact N-O 3.5Å; V210-I261 PolarHBondContact O-N 2.75Å; V210-L263 HydrophobicContact CG1-CD1 3.87Å; V210-L263 HydrophobicContact CG1-CG 4.02Å; V210-L263 HydrophobicContact CG2-CD1 4.3Å; V210-L263 HydrophobicContact CG2-CD2 3.68Å; V210-L263 HydrophobicContact CG2-CG 3.79Å
211	S	98.4	Very high	98.1	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.7	167.3	173.7	0	0	0	0	110.6	V165 F213 E214 F215 S259	V165-S211 WeakPolarHBondContact O-CB 3.31Å; V165-S211 PolarHBondContact O-N 3.35Å; S211-F213 VanDerWaalsContact C-N 3.27Å; S211-F213 PolarHBondContact O-N 3.1Å; S211-F213 PolarHBondContact OG-N 3.23Å; S211-E214 PolarHBondContact OG-N 2.96Å; S211-F215 WeakPolarHBondContact O-CB 3.47Å; S211-F215 WeakPolarHBondContact O-CD2 3.34Å; S211-F215 PolarHBondContact O-N 3.13Å; S211-F215 VanDerWaalsContact O-N 3.17Å; S211-S259 WeakPolarHBondContact CA-O 3.5Å
212	V	98.7	Very high	98.2	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.024	10%	0.098	C	C	.	.	H	α-helix	trans	-63	-39.5	174.9	177.4	0	0	0	0	110.4	N216 L246 A249 M258 S259 I261 L287	V212-N216 VanDerWaalsContact O-CB 3.31Å; V212-N216 WeakPolarHBondContact O-CB 3.44Å; V212-N216 PolarHBondContact O-N 2.75Å; V212-N216 VanDerWaalsContact O-N 3.07Å; V212-L246 HydrophobicContact CG1-CB 4.5Å; V212-L246 HydrophobicContact CG1-CD1 4.5Å; V212-A249 HydrophobicContact CG1-CB 4.45Å; V212-A249 HydrophobicContact CG2-CB 3.59Å; V212-M258 WeakPolarHBondContact CG2-O 3.34Å; V212-S259 PolarHBondContact N-O 3.41Å; V212-I261 HydrophobicContact CG2-CB 4.07Å; V212-I261 HydrophobicContact CG2-CG2 3.6Å; V212-L287 HydrophobicContact CG1-CD1 4.34Å; V212-L287 HydrophobicContact CG1-CD2 4.39Å
213	F	98.6	Very high	98.2	Very high	23 Å²	23	19.3 Å²	19.3	10%	0.101	10%	0.096	C	C	.	.	H	α-helix	trans	-63.1	-57.2	178.4	168.5	-112.9	0	0	0	111.4	S211 F215 N216 I217 E283 T286	S211-F213 VanDerWaalsContact C-N 3.27Å; S211-F213 PolarHBondContact O-N 3.1Å; S211-F213 PolarHBondContact OG-N 3.23Å; F213-F215 VanDerWaalsContact C-N 3.34Å; F213-F215 PolarHBondContact O-N 2.8Å; F213-N216 WeakPolarHBondContact O-CA 3.35Å; F213-N216 WeakPolarHBondContact O-CB 3.35Å; F213-N216 PolarHBondContact O-N 3.09Å; F213-I217 HydrophobicContact CD1-CD1 4.12Å; F213-I217 HydrophobicContact CD2-CD1 4.19Å; F213-I217 HydrophobicContact CD2-CG2 4.04Å; F213-I217 HydrophobicContact CE1-CD1 3.6Å; F213-I217 HydrophobicContact CE2-CD1 3.68Å; F213-I217 HydrophobicContact CE2-CG2 3.92Å; F213-I217 HydrophobicContact CG-CD1 4.41Å; F213-I217 HydrophobicContact CZ-CD1 3.39Å; F213-I217 WeakPolarHBondContact O-CG1 3.35Å; F213-I217 PolarHBondContact O-N 2.77Å; F213-E283 HydrophobicContact CB-CB 3.73Å; F213-E283 HydrophobicContact CB-CG 3.67Å; F213-E283 HydrophobicContact CD1-CG 4.11Å; F213-E283 HydrophobicContact CD2-CB 4.45Å; F213-E283 HydrophobicContact CG-CB 4.14Å; F213-E283 HydrophobicContact CG-CG 3.87Å; F213-T286 HydrophobicContact CE2-CG2 3.8Å
214	E	98.2	Very high	98.3	Very high	27 Å²	27	16.4 Å²	16.4	13%	0.126	8%	0.08	C	C	.	.	H	α-helix	trans	-60.8	-41.7	-176.5	-60.7	-68.7	170.1	0	0	112	V165 L166 S211 N216 R218	V165-E214 HydrophobicContact CB-CG 4.22Å; V165-E214 HydrophobicContact CG2-CG 4.3Å; L166-E214 HydrophobicContact CD2-CB 3.8Å; L166-E214 HydrophobicContact CD2-CG 4.4Å; S211-E214 PolarHBondContact OG-N 2.96Å; E214-N216 VanDerWaalsContact C-N 3.3Å; E214-N216 PolarHBondContact O-N 3.42Å; E214-R218 VanDerWaalsContact O-CB 3.25Å; E214-R218 WeakPolarHBondContact O-CB 3.47Å; E214-R218 WeakPolarHBondContact O-CG 3.37Å; E214-R218 PolarHBondContact O-N 2.81Å; E214-R218 IonicContact OE2-CZ 3.49Å; E214-R218 IonicContact OE2-NE 2.64Å; E214-R218 PolarHBondContact OE2-NE 2.95Å; E214-R218 IonicContact OE2-NH2 2.57Å; E214-R218 PolarHBondContact OE2-NH2 2.9Å; E214-R218 VanDerWaalsContact OE2-NH2 3.1Å
215	F	98.6	Very high	98.3	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.08	C	C	.	.	I	π-helix	trans	-68.2	-30.5	176.6	-89.4	-108.2	0	0	0	112.5	L166 L171 F204 V210 S211 F213 Y219 I220 L242 L246 L263	L166-F215 WeakPolarHBondContact O-CZ 3.39Å; L171-F215 HydrophobicContact CD1-CE1 3.98Å; L171-F215 HydrophobicContact CD1-CZ 3.65Å; F204-F215 HydrophobicContact CD1-CE1 4.46Å; F204-F215 HydrophobicContact CE1-CE1 4.24Å; V210-F215 HydrophobicContact CB-CD2 3.57Å; V210-F215 HydrophobicContact CB-CE2 3.33Å; V210-F215 HydrophobicContact CB-CG 4.35Å; V210-F215 HydrophobicContact CB-CZ 3.96Å; V210-F215 HydrophobicContact CG1-CD2 4.1Å; V210-F215 HydrophobicContact CG1-CE1 4.31Å; V210-F215 HydrophobicContact CG1-CE2 3.37Å; V210-F215 HydrophobicContact CG1-CZ 3.5Å; V210-F215 HydrophobicContact CG2-CD2 3.85Å; V210-F215 HydrophobicContact CG2-CE2 4Å; V210-F215 HydrophobicContact CG2-CG 4.16Å; V210-F215 HydrophobicContact CG2-CZ 4.45Å; S211-F215 WeakPolarHBondContact O-CB 3.47Å; S211-F215 WeakPolarHBondContact O-CD2 3.34Å; S211-F215 PolarHBondContact O-N 3.13Å; S211-F215 VanDerWaalsContact O-N 3.17Å; F213-F215 VanDerWaalsContact C-N 3.34Å; F213-F215 PolarHBondContact O-N 2.8Å; F215-Y219 HydrophobicContact CD1-CD1 4.1Å; F215-Y219 AromaticContact CD1-CD2 3.97Å; F215-Y219 HydrophobicContact CD1-CD2 3.97Å; F215-Y219 HydrophobicContact CD1-CE1 4.29Å; F215-Y219 HydrophobicContact CD1-CE2 4.19Å; F215-Y219 AromaticContact CD1-CG 3.93Å; F215-Y219 HydrophobicContact CD1-CG 3.93Å; F215-Y219 HydrophobicContact CD2-CD2 4.39Å; F215-Y219 HydrophobicContact CD2-CE2 4.25Å; F215-Y219 AromaticContact CE1-CD1 3.99Å; F215-Y219 HydrophobicContact CE1-CD1 3.99Å; F215-Y219 HydrophobicContact CE1-CD2 4.23Å; F215-Y219 AromaticContact CE1-CE1 3.75Å; F215-Y219 HydrophobicContact CE1-CE1 3.75Å; F215-Y219 HydrophobicContact CE1-CE2 4.03Å; F215-Y219 HydrophobicContact CE1-CG 4.22Å; F215-Y219 AromaticContact CE1-CZ 3.77Å; F215-Y219 HydrophobicContact CE2-CE2 4.07Å; F215-Y219 HydrophobicContact CG-CD2 4.07Å; F215-Y219 HydrophobicContact CG-CE2 4.31Å; F215-Y219 HydrophobicContact CG-CG 4.42Å; F215-Y219 HydrophobicContact CZ-CE1 4.15Å; F215-Y219 AromaticContact CZ-CE2 3.96Å; F215-Y219 HydrophobicContact CZ-CE2 3.96Å; F215-Y219 AromaticContact CZ-CZ 3.72Å; F215-Y219 VanDerWaalsContact O-CB 3.26Å; F215-Y219 WeakPolarHBondContact O-CB 3.48Å; F215-Y219 PolarHBondContact O-N 3.37Å; F215-I220 PolarHBondContact O-N 3.4Å; F215-L242 HydrophobicContact CB-CD2 4.32Å; F215-L242 HydrophobicContact CD1-CD1 3.63Å; F215-L242 HydrophobicContact CD1-CD2 3.78Å; F215-L242 HydrophobicContact CD1-CG 4.33Å; F215-L242 HydrophobicContact CE1-CD1 4.36Å; F215-L242 HydrophobicContact CG-CD1 4.5Å; F215-L246 HydrophobicContact CB-CD1 4.17Å; F215-L246 HydrophobicContact CB-CD2 4.37Å; F215-L263 HydrophobicContact CE1-CD1 4.04Å; F215-L263 HydrophobicContact CZ-CD1 4.4Å
216	N	98.8	Very high	98.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-70.1	-57.9	173.8	179.5	74.3	0	0	0	111.3	V212 F213 E214 R218 I220 G221 T286 L287 E290 F291	V212-N216 VanDerWaalsContact O-CB 3.31Å; V212-N216 WeakPolarHBondContact O-CB 3.44Å; V212-N216 PolarHBondContact O-N 2.75Å; V212-N216 VanDerWaalsContact O-N 3.07Å; F213-N216 WeakPolarHBondContact O-CA 3.35Å; F213-N216 WeakPolarHBondContact O-CB 3.35Å; F213-N216 PolarHBondContact O-N 3.09Å; E214-N216 VanDerWaalsContact C-N 3.3Å; E214-N216 PolarHBondContact O-N 3.42Å; N216-R218 PolarHBondContact O-N 2.95Å; N216-I220 WeakPolarHBondContact O-CB 3.48Å; N216-I220 PolarHBondContact O-N 3.06Å; N216-G221 PolarHBondContact O-N 3.11Å; N216-T286 PolarHBondContact ND2-O 2.8Å; N216-L287 HydrophobicContact CB-CD2 3.45Å; N216-L287 VanDerWaalsContact CB-CD2 3.45Å; N216-L287 WeakPolarHBondContact ND2-CA 3.27Å; N216-E290 PolarHBondContact ND2-OE2 2.78Å; N216-E290 WeakPolarHBondContact OD1-CB 3.28Å; N216-F291 WeakPolarHBondContact OD1-CD1 3.45Å; N216-F291 WeakPolarHBondContact OD1-CE1 3.16Å
217	I	98.6	Very high	98.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	I	π-helix	trans	-70.1	-34.7	-170.6	65.1	176.6	0	0	0	112.4	F213 T286 N564 E566 H568	F213-I217 HydrophobicContact CD1-CD1 4.12Å; F213-I217 HydrophobicContact CD2-CD1 4.19Å; F213-I217 HydrophobicContact CD2-CG2 4.04Å; F213-I217 HydrophobicContact CE1-CD1 3.6Å; F213-I217 HydrophobicContact CE2-CD1 3.68Å; F213-I217 HydrophobicContact CE2-CG2 3.92Å; F213-I217 HydrophobicContact CG-CD1 4.41Å; F213-I217 HydrophobicContact CZ-CD1 3.39Å; F213-I217 WeakPolarHBondContact O-CG1 3.35Å; F213-I217 PolarHBondContact O-N 2.77Å; I217-T286 HydrophobicContact CG2-CG2 3.89Å; I217-T286 WeakPolarHBondContact CG2-O 3.29Å; I217-N564 PolarHBondContact O-ND2 2.77Å; I217-E566 HydrophobicContact CB-CG 3.76Å; I217-E566 HydrophobicContact CD1-CG 3.6Å; I217-E566 WeakPolarHBondContact CD1-OE1 3.44Å; I217-E566 HydrophobicContact CG1-CG 3.49Å; I217-E566 VanDerWaalsContact CG1-CG 3.49Å; I217-H568 PolarHBondContact O-CD2 3.17Å; I217-H568 PolarHBondContact O-NE2 3.21Å
218	R	98.7	Very high	98.4	Very high	18 Å²	18	5.6 Å²	5.6	7%	0.068	3%	0.026	C	C	.	.	I	π-helix	trans	-91	-56.1	-179.8	-57.6	177.7	-173.9	-64.3	-18.8	112.9	D177 E214 N216 G222 S536 E566 H568	D177-R218 HydrophobicContact CB-CB 4.44Å; D177-R218 IonicContact OD2-NH1 3.34Å; D177-R218 PolarHBondContact OD2-NH1 3.15Å; D177-R218 VanDerWaalsContact OD2-NH1 3.17Å; E214-R218 VanDerWaalsContact O-CB 3.25Å; E214-R218 WeakPolarHBondContact O-CB 3.47Å; E214-R218 WeakPolarHBondContact O-CG 3.37Å; E214-R218 PolarHBondContact O-N 2.81Å; E214-R218 IonicContact OE2-CZ 3.49Å; E214-R218 IonicContact OE2-NE 2.64Å; E214-R218 PolarHBondContact OE2-NE 2.95Å; E214-R218 IonicContact OE2-NH2 2.57Å; E214-R218 PolarHBondContact OE2-NH2 2.9Å; E214-R218 VanDerWaalsContact OE2-NH2 3.1Å; N216-R218 PolarHBondContact O-N 2.95Å; R218-G222 WeakPolarHBondContact O-CA 3.09Å; R218-G222 PolarHBondContact O-N 2.82Å; R218-S536 PolarHBondContact NH1-OG 2.85Å; R218-E566 HydrophobicContact CG-CG 3.8Å; R218-E566 IonicContact CZ-OE1 2.78Å; R218-E566 IonicContact CZ-OE2 3.64Å; R218-E566 VanDerWaalsContact CZ-OE2 3.22Å; R218-E566 IonicContact NE-OE1 3.17Å; R218-E566 VanDerWaalsContact NH1-CD 3.25Å; R218-E566 IonicContact NH1-OE1 3.9Å; R218-E566 PolarHBondContact NH1-OE1 3.3Å; R218-E566 IonicContact NH1-OE2 2.71Å; R218-E566 PolarHBondContact NH1-OE2 2.85Å; R218-E566 IonicContact NH2-OE1 3.8Å; R218-E566 PolarHBondContact NH2-OE1 3Å; R218-E566 IonicContact NH2-OE2 3.97Å; R218-E566 PolarHBondContact NH2-OE2 3.35Å; R218-H568 PolarHBondContact O-NE2 3.32Å
219	Y	98.8	Very high	98.4	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.027	C	C	.	.	I	π-helix	trans	-78.3	-54.5	-171	-70.6	-119.5	0	0	0	111	N151 L166 L171 A173 I176 F204 F215 L223 L242	N151-Y219 PolarHBondContact OD1-OH 2.73Å; L166-Y219 HydrophobicContact CD2-CE2 4.32Å; L171-Y219 HydrophobicContact CB-CE1 4.18Å; L171-Y219 WeakPolarHBondContact O-CE1 3.46Å; A173-Y219 VanDerWaalsContact CA-OH 3.3Å; A173-Y219 WeakPolarHBondContact CA-OH 3.14Å; A173-Y219 HydrophobicContact CB-CE2 3.82Å; A173-Y219 WeakPolarHBondContact CB-OH 3.3Å; A173-Y219 PolarHBondContact N-OH 3.13Å; I176-Y219 HydrophobicContact CB-CD1 4.35Å; I176-Y219 HydrophobicContact CD1-CD1 3.44Å; I176-Y219 VanDerWaalsContact CD1-CD1 3.44Å; I176-Y219 HydrophobicContact CD1-CE1 3.65Å; I176-Y219 HydrophobicContact CG1-CD1 4.49Å; I176-Y219 HydrophobicContact CG2-CD1 4.26Å; I176-Y219 HydrophobicContact CG2-CG 4.39Å; F204-Y219 AromaticContact CE1-CD1 3.93Å; F204-Y219 HydrophobicContact CE1-CD1 3.93Å; F204-Y219 HydrophobicContact CE1-CE1 4.22Å; F204-Y219 HydrophobicContact CZ-CD1 4.18Å; F215-Y219 HydrophobicContact CD1-CD1 4.1Å; F215-Y219 AromaticContact CD1-CD2 3.97Å; F215-Y219 HydrophobicContact CD1-CD2 3.97Å; F215-Y219 HydrophobicContact CD1-CE1 4.29Å; F215-Y219 HydrophobicContact CD1-CE2 4.19Å; F215-Y219 AromaticContact CD1-CG 3.93Å; F215-Y219 HydrophobicContact CD1-CG 3.93Å; F215-Y219 HydrophobicContact CD2-CD2 4.39Å; F215-Y219 HydrophobicContact CD2-CE2 4.25Å; F215-Y219 AromaticContact CE1-CD1 3.99Å; F215-Y219 HydrophobicContact CE1-CD1 3.99Å; F215-Y219 HydrophobicContact CE1-CD2 4.23Å; F215-Y219 AromaticContact CE1-CE1 3.75Å; F215-Y219 HydrophobicContact CE1-CE1 3.75Å; F215-Y219 HydrophobicContact CE1-CE2 4.03Å; F215-Y219 HydrophobicContact CE1-CG 4.22Å; F215-Y219 AromaticContact CE1-CZ 3.77Å; F215-Y219 HydrophobicContact CE2-CE2 4.07Å; F215-Y219 HydrophobicContact CG-CD2 4.07Å; F215-Y219 HydrophobicContact CG-CE2 4.31Å; F215-Y219 HydrophobicContact CG-CG 4.42Å; F215-Y219 HydrophobicContact CZ-CE1 4.15Å; F215-Y219 AromaticContact CZ-CE2 3.96Å; F215-Y219 HydrophobicContact CZ-CE2 3.96Å; F215-Y219 AromaticContact CZ-CZ 3.72Å; F215-Y219 VanDerWaalsContact O-CB 3.26Å; F215-Y219 WeakPolarHBondContact O-CB 3.48Å; F215-Y219 PolarHBondContact O-N 3.37Å; Y219-L223 VanDerWaalsContact O-CB 3.27Å; Y219-L223 WeakPolarHBondContact O-CB 3.36Å; Y219-L223 WeakPolarHBondContact O-CD1 3.39Å; Y219-L223 WeakPolarHBondContact O-CG 3.45Å; Y219-L223 PolarHBondContact O-N 3.32Å; Y219-L242 VanDerWaalsContact CB-CD2 3.45Å; Y219-L242 HydrophobicContact CD1-CD2 4.45Å; Y219-L242 HydrophobicContact CG-CD2 4.22Å
220	I	98.9	Very high	98.3	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	I	π-helix	trans	-64.7	-45.7	177.8	-60	176.2	0	0	0	109	F215 N216 G222 L223 L224 A239 L242 A243 L246 E290 F291	F215-I220 PolarHBondContact O-N 3.4Å; N216-I220 WeakPolarHBondContact O-CB 3.48Å; N216-I220 PolarHBondContact O-N 3.06Å; I220-G222 PolarHBondContact O-N 2.96Å; I220-L223 PolarHBondContact O-N 2.71Å; I220-L224 HydrophobicContact CG2-CD1 3.64Å; I220-L224 HydrophobicContact CG2-CG 3.95Å; I220-L224 VanDerWaalsContact O-CB 3.26Å; I220-L224 WeakPolarHBondContact O-CB 3.25Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 3.23Å; I220-A239 HydrophobicContact CG2-CB 4.43Å; I220-L242 HydrophobicContact CD1-CD2 4.44Å; I220-L242 HydrophobicContact CD1-CG 4.31Å; I220-L242 HydrophobicContact CG1-CB 4.44Å; I220-L242 HydrophobicContact CG1-CD2 3.74Å; I220-L242 HydrophobicContact CG1-CG 4.07Å; I220-A243 HydrophobicContact CD1-CB 3.82Å; I220-L246 HydrophobicContact CD1-CD1 3.91Å; I220-E290 HydrophobicContact CG2-CB 3.91Å; I220-E290 HydrophobicContact CG2-CG 4.47Å; I220-F291 HydrophobicContact CD1-CE1 4.01Å
221	G	98.8	Very high	98	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-51.8	-55.8	174.3	0	0	0	0	0	113.3	N216 L223 L224 S225	N216-G221 PolarHBondContact O-N 3.11Å; G221-L223 PolarHBondContact O-N 2.84Å; G221-L224 PolarHBondContact O-N 2.8Å; G221-S225 PolarHBondContact O-N 2.9Å
222	G	98.8	Very high	97.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.5	-43.2	179.8	0	0	0	0	0	113.6	R218 I220 A226 H568	R218-G222 WeakPolarHBondContact O-CA 3.09Å; R218-G222 PolarHBondContact O-N 2.82Å; I220-G222 PolarHBondContact O-N 2.96Å; G222-A226 WeakPolarHBondContact O-CB 3.04Å; G222-A226 PolarHBondContact O-N 3.5Å; G222-H568 PolarHBondContact N-CD2 3.15Å; G222-H568 VanDerWaalsContact N-CD2 3.26Å; G222-H568 PolarHBondContact N-NE2 2.86Å
223	L	98.9	Very high	97.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-63.4	-43.4	176.2	-71.5	169	0	0	0	111.9	I176 L179 I198 Y219 I220 G221 Y227 L235 K238 A239	I176-L223 HydrophobicContact CG2-CD1 4.38Å; I176-L223 HydrophobicContact CG2-CD2 4.04Å; I176-L223 HydrophobicContact CG2-CG 3.72Å; L179-L223 HydrophobicContact CD1-CD2 4.14Å; I198-L223 HydrophobicContact CD1-CD2 4.16Å; Y219-L223 VanDerWaalsContact O-CB 3.27Å; Y219-L223 WeakPolarHBondContact O-CB 3.36Å; Y219-L223 WeakPolarHBondContact O-CD1 3.39Å; Y219-L223 WeakPolarHBondContact O-CG 3.45Å; Y219-L223 PolarHBondContact O-N 3.32Å; I220-L223 PolarHBondContact O-N 2.71Å; G221-L223 PolarHBondContact O-N 2.84Å; L223-Y227 VanDerWaalsContact O-CB 3.24Å; L223-Y227 WeakPolarHBondContact O-CB 3.3Å; L223-Y227 PolarHBondContact O-N 2.86Å; L223-L235 HydrophobicContact CD2-CD2 3.83Å; L223-K238 HydrophobicContact CD1-CB 4.01Å; L223-K238 HydrophobicContact CD2-CB 4.35Å; L223-A239 HydrophobicContact CB-CB 3.93Å; L223-A239 HydrophobicContact CD1-CB 4.23Å
224	L	98.8	Very high	97.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.5	-44.3	179.5	-73.8	-176.5	0	0	0	111.7	I220 G221 Y227 T228 L236 A239 E290 Y293 L294 L297 L570	I220-L224 HydrophobicContact CG2-CD1 3.64Å; I220-L224 HydrophobicContact CG2-CG 3.95Å; I220-L224 VanDerWaalsContact O-CB 3.26Å; I220-L224 WeakPolarHBondContact O-CB 3.25Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 3.23Å; G221-L224 PolarHBondContact O-N 2.8Å; L224-Y227 PolarHBondContact O-N 3.25Å; L224-T228 WeakPolarHBondContact O-CB 3.44Å; L224-T228 PolarHBondContact O-N 3.35Å; L224-T228 PolarHBondContact O-OG1 3.5Å; L224-L236 HydrophobicContact CD2-CD1 3.87Å; L224-A239 HydrophobicContact CD2-CB 3.95Å; L224-A239 HydrophobicContact CG-CB 4.25Å; L224-E290 HydrophobicContact CD1-CB 4.26Å; L224-Y293 HydrophobicContact CB-CD1 4.04Å; L224-Y293 HydrophobicContact CB-CE1 4.17Å; L224-Y293 HydrophobicContact CD1-CD1 3.89Å; L224-Y293 HydrophobicContact CG-CD1 4.4Å; L224-L294 HydrophobicContact CD1-CB 4.2Å; L224-L294 HydrophobicContact CD2-CD1 3.95Å; L224-L297 HydrophobicContact CD2-CD1 3.81Å; L224-L570 HydrophobicContact CB-CD2 4.47Å
225	S	98.6	Very high	97.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-65.5	-46.3	177.7	-167.7	0	0	0	0	111.6	G221 Y227 T228 F229 P569	G221-S225 PolarHBondContact O-N 2.9Å; S225-Y227 VanDerWaalsContact C-N 3.33Å; S225-Y227 PolarHBondContact O-N 3.08Å; S225-T228 WeakPolarHBondContact O-CA 3.19Å; S225-T228 VanDerWaalsContact O-CB 3.27Å; S225-T228 WeakPolarHBondContact O-CB 3.2Å; S225-T228 PolarHBondContact O-N 3.36Å; S225-F229 WeakPolarHBondContact O-CG 3.35Å; S225-F229 PolarHBondContact O-N 2.77Å; S225-F229 VanDerWaalsContact O-N 3.09Å; S225-P569 WeakPolarHBondContact CB-O 3.42Å; S225-P569 VanDerWaalsContact OG-CD 3.28Å; S225-P569 WeakPolarHBondContact OG-CD 3.4Å; S225-P569 PolarHBondContact OG-O 2.96Å
226	A	98.5	Very high	97.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-61.1	-38.6	175.7	0	0	0	0	0	113	L179 F191 G222 T228 F229 S230 L235	L179-A226 HydrophobicContact CB-CB 3.64Å; L179-A226 HydrophobicContact CD1-CB 3.92Å; L179-A226 HydrophobicContact CG-CB 4.41Å; F191-A226 HydrophobicContact CE2-CB 4.03Å; G222-A226 WeakPolarHBondContact O-CB 3.04Å; G222-A226 PolarHBondContact O-N 3.5Å; A226-T228 VanDerWaalsContact C-N 3.35Å; A226-F229 PolarHBondContact O-N 2.93Å; A226-S230 VanDerWaalsContact O-CB 3.31Å; A226-S230 WeakPolarHBondContact O-CB 3.36Å; A226-S230 PolarHBondContact O-N 3.38Å; A226-S230 PolarHBondContact O-OG 3.49Å; A226-L235 HydrophobicContact CB-CD1 3.77Å
227	Y	97.8	Very high	97.6	Very high	1 Å²	1	15.4 Å²	15.4	0%	0.004	8%	0.082	C	C	.	.	H	α-helix	trans	-62.9	-41.7	171.4	170.3	-109.6	0	0	0	111.7	L223 L224 S225 F229 R231 K232 L236 L297	L223-Y227 VanDerWaalsContact O-CB 3.24Å; L223-Y227 WeakPolarHBondContact O-CB 3.3Å; L223-Y227 PolarHBondContact O-N 2.86Å; L224-Y227 PolarHBondContact O-N 3.25Å; S225-Y227 VanDerWaalsContact C-N 3.33Å; S225-Y227 PolarHBondContact O-N 3.08Å; Y227-F229 VanDerWaalsContact C-N 3.28Å; Y227-F229 PolarHBondContact O-N 3.22Å; Y227-R231 WeakPolarHBondContact O-CA 3.43Å; Y227-R231 PolarHBondContact O-N 3.39Å; Y227-R231 PolarHBondContact OH-NH1 3.34Å; Y227-R231 PolarHBondContact OH-NH2 3.23Å; Y227-K232 WeakPolarHBondContact CD2-O 3.29Å; Y227-L236 HydrophobicContact CD1-CB 4.02Å; Y227-L236 HydrophobicContact CD1-CD1 4.49Å; Y227-L236 HydrophobicContact CD1-CD2 4.24Å; Y227-L236 HydrophobicContact CD1-CG 4.49Å; Y227-L236 HydrophobicContact CD2-CB 3.74Å; Y227-L236 HydrophobicContact CE1-CB 4.1Å; Y227-L236 HydrophobicContact CE1-CD2 3.57Å; Y227-L236 HydrophobicContact CE1-CG 4.28Å; Y227-L236 HydrophobicContact CE2-CB 3.84Å; Y227-L236 HydrophobicContact CE2-CD2 4.15Å; Y227-L236 HydrophobicContact CG-CB 3.82Å; Y227-L297 HydrophobicContact CD1-CD1 3.79Å; Y227-L297 HydrophobicContact CE1-CD1 3.82Å; Y227-L297 HydrophobicContact CE1-CD2 4.01Å; Y227-L297 HydrophobicContact CE1-CG 4.41Å
228	T	97	Very high	97.6	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	9%	0.087	C	C	.	.	H	α-helix	trans	-58.6	-43.3	179.7	-55.1	0	0	0	0	111.1	I110 L224 S225 A226 R231 Y293 W561 P571 L578	I110-T228 HydrophobicContact CD1-CG2 3.92Å; L224-T228 WeakPolarHBondContact O-CB 3.44Å; L224-T228 PolarHBondContact O-N 3.35Å; L224-T228 PolarHBondContact O-OG1 3.5Å; S225-T228 WeakPolarHBondContact O-CA 3.19Å; S225-T228 VanDerWaalsContact O-CB 3.27Å; S225-T228 WeakPolarHBondContact O-CB 3.2Å; S225-T228 PolarHBondContact O-N 3.36Å; A226-T228 VanDerWaalsContact C-N 3.35Å; T228-R231 WeakPolarHBondContact O-CD 3.34Å; T228-Y293 WeakPolarHBondContact OG1-CE1 3.4Å; T228-Y293 PolarHBondContact OG1-OH 3.41Å; T228-W561 HydrophobicContact CG2-CH2 3.84Å; T228-W561 HydrophobicContact CG2-CZ3 3.89Å; T228-P571 HydrophobicContact CG2-CG 4.27Å; T228-L578 HydrophobicContact CG2-CD2 3.96Å
229	F	96.4	Very high	97.6	Very high	11 Å²	11	15.7 Å²	15.7	5%	0.048	8%	0.083	C	C	.	.	H	α-helix	trans	-77.3	-45.8	-179.1	-60.7	-21.8	0	0	0	114	I115 D180 Y183 I184 S225 A226 Y227 L556 W561 P569	I115-F229 HydrophobicContact CB-CD1 4.16Å; I115-F229 HydrophobicContact CB-CE1 4.31Å; I115-F229 HydrophobicContact CB-CG 4.5Å; I115-F229 HydrophobicContact CD1-CB 4.07Å; I115-F229 HydrophobicContact CD1-CD1 4.28Å; I115-F229 HydrophobicContact CD1-CG 4.36Å; I115-F229 HydrophobicContact CG2-CD1 3.64Å; I115-F229 HydrophobicContact CG2-CE1 3.59Å; I115-F229 HydrophobicContact CG2-CG 4.45Å; I115-F229 HydrophobicContact CG2-CZ 4.35Å; D180-F229 HydrophobicContact CB-CD2 4.27Å; D180-F229 HydrophobicContact CB-CE2 3.89Å; Y183-F229 HydrophobicContact CD1-CB 3.77Å; Y183-F229 HydrophobicContact CD1-CD2 4.01Å; Y183-F229 HydrophobicContact CD1-CG 4.2Å; Y183-F229 HydrophobicContact CE1-CB 3.74Å; Y183-F229 HydrophobicContact CE1-CG 4.49Å; Y183-F229 HydrophobicContact CG-CB 4.21Å; Y183-F229 HydrophobicContact CG-CD2 4.35Å; Y183-F229 PolarHBondContact OH-O 2.98Å; I184-F229 HydrophobicContact CD1-CE2 3.91Å; I184-F229 HydrophobicContact CD1-CZ 4.39Å; I184-F229 HydrophobicContact CG1-CE2 3.8Å; I184-F229 HydrophobicContact CG1-CZ 4.41Å; S225-F229 WeakPolarHBondContact O-CG 3.35Å; S225-F229 PolarHBondContact O-N 2.77Å; S225-F229 VanDerWaalsContact O-N 3.09Å; A226-F229 PolarHBondContact O-N 2.93Å; Y227-F229 VanDerWaalsContact C-N 3.28Å; Y227-F229 PolarHBondContact O-N 3.22Å; F229-L556 HydrophobicContact CE1-CD2 4.16Å; F229-L556 HydrophobicContact CZ-CD2 3.89Å; F229-W561 HydrophobicContact CD1-CH2 4.05Å; F229-W561 HydrophobicContact CD1-CZ3 4.41Å; F229-W561 HydrophobicContact CE1-CE3 4.27Å; F229-W561 AromaticContact CE1-CH2 3.53Å; F229-W561 HydrophobicContact CE1-CH2 3.53Å; F229-W561 HydrophobicContact CE1-CZ2 4.13Å; F229-W561 AromaticContact CE1-CZ3 3.6Å; F229-W561 HydrophobicContact CE1-CZ3 3.6Å; F229-W561 HydrophobicContact CZ-CZ3 4.44Å; F229-P569 HydrophobicContact CE2-CG 4.44Å; F229-P569 HydrophobicContact CZ-CB 3.86Å; F229-P569 HydrophobicContact CZ-CG 3.86Å
230	S	95.4	Very high	97.6	Very high	23 Å²	23	16 Å²	16	16%	0.161	9%	0.086	C	C	.	.	H	α-helix	trans	-94.3	-19	-170.7	70.5	0	0	0	0	114.1	A226 K232	A226-S230 VanDerWaalsContact O-CB 3.31Å; A226-S230 WeakPolarHBondContact O-CB 3.36Å; A226-S230 PolarHBondContact O-N 3.38Å; A226-S230 PolarHBondContact O-OG 3.49Å; S230-K232 PolarHBondContact O-N 3.16Å; S230-K232 VanDerWaalsContact O-N 3.1Å; S230-K232 PolarHBondContact OG-N 3.47Å
231	R	93.5	Very high	97.6	Very high	30 Å²	30	18.2 Å²	18.2	11%	0.113	10%	0.096	C	C	.	.			trans	56.6	15.3	-172.6	-51.7	-58	-62.8	150.2	6	114.7	Y227 T228 P233 T579	Y227-R231 WeakPolarHBondContact O-CA 3.43Å; Y227-R231 PolarHBondContact O-N 3.39Å; Y227-R231 PolarHBondContact OH-NH1 3.34Å; Y227-R231 PolarHBondContact OH-NH2 3.23Å; T228-R231 WeakPolarHBondContact O-CD 3.34Å; R231-P233 VanDerWaalsContact O-CD 3.23Å; R231-P233 WeakPolarHBondContact O-CD 3.46Å; R231-T579 VanDerWaalsContact CZ-O 3.3Å; R231-T579 PolarHBondContact NE-O 2.72Å; R231-T579 VanDerWaalsContact NE-O 3.11Å; R231-T579 PolarHBondContact NH2-O 2.82Å
232	K	95.4	Very high	97.6	Very high	75 Å²	75	18.2 Å²	18.2	33%	0.326	10%	0.096	S	C	.	.			trans	-69.6	112.3	178.8	-68.8	-179	-178.3	-82.4	0	110.9	F191 N192 V195 Y227 S230 I234 L235	F191-K232 HydrophobicContact CE1-CD 4.26Å; N192-K232 WeakPolarHBondContact OD1-CE 3.13Å; N192-K232 PolarHBondContact OD1-NZ 2.87Å; V195-K232 HydrophobicContact CB-CD 4.39Å; V195-K232 HydrophobicContact CG1-CD 3.77Å; V195-K232 HydrophobicContact CG2-CD 4.25Å; Y227-K232 WeakPolarHBondContact CD2-O 3.29Å; S230-K232 PolarHBondContact O-N 3.16Å; S230-K232 VanDerWaalsContact O-N 3.1Å; S230-K232 PolarHBondContact OG-N 3.47Å; K232-I234 VanDerWaalsContact C-N 3.28Å; K232-I234 HydrophobicContact CB-CG2 4.46Å; K232-I234 PolarHBondContact O-N 3.34Å; K232-I234 VanDerWaalsContact O-N 3.15Å; K232-L235 HydrophobicContact CB-CD1 4.15Å; K232-L235 HydrophobicContact CB-CG 4.35Å; K232-L235 PolarHBondContact O-N 2.96Å; K232-L235 VanDerWaalsContact O-N 3.15Å
233	P	95.2	Very high	97.6	Very high	63 Å²	63	18.2 Å²	18.2	41%	0.409	10%	0.096	S	C	.	.	H	α-helix	trans	-58.7	-33.8	-169.7	-27.9	36.6	0	0	0	114.9	L98 R231 L235 L236 T237	L98-P233 HydrophobicContact CD1-CB 4.43Å; R231-P233 VanDerWaalsContact O-CD 3.23Å; R231-P233 WeakPolarHBondContact O-CD 3.46Å; P233-L235 PolarHBondContact O-N 3.09Å; P233-L235 VanDerWaalsContact O-N 3.12Å; P233-L236 PolarHBondContact O-N 3.2Å; P233-L236 VanDerWaalsContact O-N 3.08Å; P233-T237 PolarHBondContact O-N 3.47Å; P233-T237 PolarHBondContact O-OG1 2.91Å
234	I	97.4	Very high	97.5	Very high	39 Å²	39	21.1 Å²	21.1	20%	0.2	11%	0.11	C	C	.	.	H	α-helix	trans	-54.2	-33.8	179.6	-174	57.9	0	0	0	112.9	V195 E199 K232 T237 K238	V195-I234 HydrophobicContact CG1-CG2 3.96Å; E199-I234 HydrophobicContact CB-CG1 4.04Å; E199-I234 HydrophobicContact CG-CG1 4.17Å; K232-I234 VanDerWaalsContact C-N 3.28Å; K232-I234 HydrophobicContact CB-CG2 4.46Å; K232-I234 PolarHBondContact O-N 3.34Å; K232-I234 VanDerWaalsContact O-N 3.15Å; I234-T237 PolarHBondContact O-N 3.23Å; I234-K238 HydrophobicContact CD1-CG 4.19Å; I234-K238 HydrophobicContact CG1-CG 4.4Å; I234-K238 WeakPolarHBondContact O-CB 3.24Å; I234-K238 VanDerWaalsContact O-CG 3.32Å; I234-K238 WeakPolarHBondContact O-CG 3.36Å; I234-K238 PolarHBondContact O-N 3.36Å
235	L	98.3	Very high	97.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-67.1	-44.1	179.7	-62.6	176.8	0	0	0	111.6	L179 F191 V195 I198 L223 A226 K232 P233 K238 A239	L179-L235 HydrophobicContact CD1-CD2 4.11Å; F191-L235 HydrophobicContact CZ-CD1 4.33Å; V195-L235 HydrophobicContact CG1-CD2 4.29Å; V195-L235 HydrophobicContact CG2-CD1 4.35Å; V195-L235 HydrophobicContact CG2-CD2 4.21Å; I198-L235 HydrophobicContact CD1-CD2 4.03Å; I198-L235 HydrophobicContact CG2-CD2 4.48Å; L223-L235 HydrophobicContact CD2-CD2 3.83Å; A226-L235 HydrophobicContact CB-CD1 3.77Å; K232-L235 HydrophobicContact CB-CD1 4.15Å; K232-L235 HydrophobicContact CB-CG 4.35Å; K232-L235 PolarHBondContact O-N 2.96Å; K232-L235 VanDerWaalsContact O-N 3.15Å; P233-L235 PolarHBondContact O-N 3.09Å; P233-L235 VanDerWaalsContact O-N 3.12Å; L235-K238 PolarHBondContact O-N 2.98Å; L235-A239 PolarHBondContact O-N 2.86Å
236	L	97.6	Very high	97.5	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-68.2	-38.8	174.7	-180	57.9	0	0	0	111.5	L98 L224 Y227 P233 K238 A239 A240 L294 L297 T298	L98-L236 HydrophobicContact CD2-CD2 3.37Å; L98-L236 HydrophobicContact CD2-CG 4.49Å; L224-L236 HydrophobicContact CD2-CD1 3.87Å; Y227-L236 HydrophobicContact CD1-CB 4.02Å; Y227-L236 HydrophobicContact CD1-CD1 4.49Å; Y227-L236 HydrophobicContact CD1-CD2 4.24Å; Y227-L236 HydrophobicContact CD1-CG 4.49Å; Y227-L236 HydrophobicContact CD2-CB 3.74Å; Y227-L236 HydrophobicContact CE1-CB 4.1Å; Y227-L236 HydrophobicContact CE1-CD2 3.57Å; Y227-L236 HydrophobicContact CE1-CG 4.28Å; Y227-L236 HydrophobicContact CE2-CB 3.84Å; Y227-L236 HydrophobicContact CE2-CD2 4.15Å; Y227-L236 HydrophobicContact CG-CB 3.82Å; P233-L236 PolarHBondContact O-N 3.2Å; P233-L236 VanDerWaalsContact O-N 3.08Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 3.46Å; L236-A239 PolarHBondContact O-N 3.37Å; L236-A240 WeakPolarHBondContact O-CB 3.08Å; L236-A240 PolarHBondContact O-N 2.87Å; L236-L294 HydrophobicContact CD1-CD1 3.73Å; L236-L297 HydrophobicContact CD1-CB 4.04Å; L236-L297 HydrophobicContact CD1-CD1 4.01Å; L236-L297 HydrophobicContact CD2-CB 4.09Å; L236-T298 HydrophobicContact CD1-CG2 3.94Å; L236-T298 HydrophobicContact CG-CG2 4.32Å
237	T	98	Very high	97.5	Very high	58 Å²	58	24 Å²	24	36%	0.356	12%	0.122	S	C	.	.	H	α-helix	trans	-57.9	-45.5	174.3	-60.1	0	0	0	0	111.1	I94 P233 I234 A240 E241	I94-T237 HydrophobicContact CD1-CG2 4.32Å; P233-T237 PolarHBondContact O-N 3.47Å; P233-T237 PolarHBondContact O-OG1 2.91Å; I234-T237 PolarHBondContact O-N 3.23Å; T237-A240 PolarHBondContact O-N 3.25Å; T237-E241 WeakPolarHBondContact O-CB 3.42Å; T237-E241 PolarHBondContact O-N 2.87Å
238	K	98.6	Very high	97.6	Very high	25 Å²	25	25 Å²	25	11%	0.109	13%	0.128	C	C	.	.	H	α-helix	trans	-68.9	-36.9	178.3	-71.6	-71.1	174.2	-169.1	0	112.9	I198 L202 F204 L223 I234 L235 L236 E241 L242	I198-K238 HydrophobicContact CG2-CB 4.45Å; I198-K238 HydrophobicContact CG2-CG 3.81Å; L202-K238 HydrophobicContact CD2-CD 4.24Å; L202-K238 WeakPolarHBondContact O-CE 3.41Å; L202-K238 PolarHBondContact O-NZ 3.16Å; F204-K238 HydrophobicContact CE2-CB 4.38Å; F204-K238 HydrophobicContact CE2-CD 4.28Å; L223-K238 HydrophobicContact CD1-CB 4.01Å; L223-K238 HydrophobicContact CD2-CB 4.35Å; I234-K238 HydrophobicContact CD1-CG 4.19Å; I234-K238 HydrophobicContact CG1-CG 4.4Å; I234-K238 WeakPolarHBondContact O-CB 3.24Å; I234-K238 VanDerWaalsContact O-CG 3.32Å; I234-K238 WeakPolarHBondContact O-CG 3.36Å; I234-K238 PolarHBondContact O-N 3.36Å; L235-K238 PolarHBondContact O-N 2.98Å; L236-K238 VanDerWaalsContact C-N 3.32Å; L236-K238 PolarHBondContact O-N 3.46Å; K238-E241 WeakPolarHBondContact CD-OE2 3.43Å; K238-E241 IonicContact NZ-OE2 3.8Å; K238-E241 PolarHBondContact NZ-OE2 3.13Å; K238-E241 PolarHBondContact O-N 3Å; K238-L242 WeakPolarHBondContact O-CB 3.01Å; K238-L242 PolarHBondContact O-N 3.29Å
239	A	98.8	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.3	-45.9	173.6	0	0	0	0	0	111.2	I220 L223 L224 L235 L236 L242 A243 L294	I220-A239 HydrophobicContact CG2-CB 4.43Å; L223-A239 HydrophobicContact CB-CB 3.93Å; L223-A239 HydrophobicContact CD1-CB 4.23Å; L224-A239 HydrophobicContact CD2-CB 3.95Å; L224-A239 HydrophobicContact CG-CB 4.25Å; L235-A239 PolarHBondContact O-N 2.86Å; L236-A239 PolarHBondContact O-N 3.37Å; A239-L242 PolarHBondContact O-N 3.18Å; A239-A243 WeakPolarHBondContact O-CB 3.2Å; A239-A243 PolarHBondContact O-N 3.48Å; A239-L294 HydrophobicContact CB-CD1 4.19Å
240	A	98.6	Very high	97.8	Very high	6 Å²	6	24.5 Å²	24.5	5%	0.05	13%	0.126	C	C	.	.	H	α-helix	trans	-65.8	-41.2	176.2	0	0	0	0	0	112.6	I94 L236 T237 L242 A243 Q244 L294 T298 Y303	I94-A240 HydrophobicContact CD1-CB 4.41Å; L236-A240 WeakPolarHBondContact O-CB 3.08Å; L236-A240 PolarHBondContact O-N 2.87Å; T237-A240 PolarHBondContact O-N 3.25Å; A240-L242 PolarHBondContact O-N 3.3Å; A240-A243 PolarHBondContact O-N 2.88Å; A240-Q244 WeakPolarHBondContact O-CB 3.25Å; A240-Q244 PolarHBondContact O-N 3.43Å; A240-L294 HydrophobicContact CB-CD1 4.32Å; A240-T298 HydrophobicContact CB-CG2 4.31Å; A240-Y303 PolarHBondContact O-OH 3.36Å
241	E	98.6	Very high	97.9	Very high	46 Å²	46	28.2 Å²	28.2	22%	0.215	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-48.3	175.5	-170	-163.7	147.6	0	0	111.1	T237 K238 Q244 R245	T237-E241 WeakPolarHBondContact O-CB 3.42Å; T237-E241 PolarHBondContact O-N 2.87Å; K238-E241 WeakPolarHBondContact CD-OE2 3.43Å; K238-E241 IonicContact NZ-OE2 3.8Å; K238-E241 PolarHBondContact NZ-OE2 3.13Å; K238-E241 PolarHBondContact O-N 3Å; E241-Q244 PolarHBondContact O-N 3.49Å; E241-R245 WeakPolarHBondContact O-CG 3.41Å; E241-R245 PolarHBondContact O-N 2.97Å; E241-R245 IonicContact OE1-NE 2.71Å; E241-R245 IonicContact OE1-NH2 3.85Å
242	L	98.7	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.1	-48.7	178.5	176	56.7	0	0	0	111.5	F204 F215 Y219 I220 K238 A239 A240 Q244 R245 L246 L263	F204-L242 HydrophobicContact CD1-CD1 4.1Å; F204-L242 HydrophobicContact CD2-CB 3.95Å; F204-L242 HydrophobicContact CE1-CD1 4.23Å; F204-L242 HydrophobicContact CE1-CD2 4.16Å; F204-L242 HydrophobicContact CE2-CB 3.74Å; F204-L242 HydrophobicContact CE2-CD2 4.44Å; F204-L242 HydrophobicContact CG-CB 4.47Å; F204-L242 HydrophobicContact CG-CD1 4.28Å; F204-L242 HydrophobicContact CZ-CB 4.08Å; F204-L242 HydrophobicContact CZ-CD2 3.93Å; F204-L242 HydrophobicContact CZ-CG 4.4Å; F215-L242 HydrophobicContact CB-CD2 4.32Å; F215-L242 HydrophobicContact CD1-CD1 3.63Å; F215-L242 HydrophobicContact CD1-CD2 3.78Å; F215-L242 HydrophobicContact CD1-CG 4.33Å; F215-L242 HydrophobicContact CE1-CD1 4.36Å; F215-L242 HydrophobicContact CG-CD1 4.5Å; Y219-L242 VanDerWaalsContact CB-CD2 3.45Å; Y219-L242 HydrophobicContact CD1-CD2 4.45Å; Y219-L242 HydrophobicContact CG-CD2 4.22Å; I220-L242 HydrophobicContact CD1-CD2 4.44Å; I220-L242 HydrophobicContact CD1-CG 4.31Å; I220-L242 HydrophobicContact CG1-CB 4.44Å; I220-L242 HydrophobicContact CG1-CD2 3.74Å; I220-L242 HydrophobicContact CG1-CG 4.07Å; K238-L242 WeakPolarHBondContact O-CB 3.01Å; K238-L242 PolarHBondContact O-N 3.29Å; A239-L242 PolarHBondContact O-N 3.18Å; A240-L242 PolarHBondContact O-N 3.3Å; L242-Q244 PolarHBondContact O-N 3.11Å; L242-R245 CarbonylContact O-C 3.58Å; L242-R245 WeakPolarHBondContact O-CA 3.4Å; L242-R245 WeakPolarHBondContact O-CB 3.29Å; L242-R245 PolarHBondContact O-N 3.01Å; L242-L246 HydrophobicContact CD1-CD2 4.32Å; L242-L246 HydrophobicContact CD1-CG 4.21Å; L242-L246 HydrophobicContact CG-CD1 4.38Å; L242-L246 HydrophobicContact CG-CG 4.46Å; L242-L246 WeakPolarHBondContact O-CG 3.34Å; L242-L246 PolarHBondContact O-N 2.81Å; L242-L263 HydrophobicContact CD1-CD2 4.02Å
243	A	98.8	Very high	98.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-55.8	-42.3	179	0	0	0	0	0	111.7	I220 A239 A240 R245 L246 L247 L294 Y303	I220-A243 HydrophobicContact CD1-CB 3.82Å; A239-A243 WeakPolarHBondContact O-CB 3.2Å; A239-A243 PolarHBondContact O-N 3.48Å; A240-A243 PolarHBondContact O-N 2.88Å; A243-R245 VanDerWaalsContact C-N 3.27Å; A243-R245 PolarHBondContact O-N 3.48Å; A243-L246 PolarHBondContact O-N 3.16Å; A243-L247 WeakPolarHBondContact O-CG 3.44Å; A243-L247 PolarHBondContact O-N 3.17Å; A243-L247 VanDerWaalsContact O-N 3.07Å; A243-L294 HydrophobicContact CB-CD2 3.28Å; A243-Y303 HydrophobicContact CB-CD1 3.84Å; A243-Y303 HydrophobicContact CB-CE1 3.43Å; A243-Y303 VanDerWaalsContact CB-CE1 3.43Å
244	Q	98.5	Very high	98.4	Very high	62 Å²	62	27.1 Å²	27.1	29%	0.29	15%	0.149	S	C	.	.	H	α-helix	trans	-60.5	-34.7	175.6	-176.2	60.2	60	0	0	112.8	A240 E241 L242	A240-Q244 WeakPolarHBondContact O-CB 3.25Å; A240-Q244 PolarHBondContact O-N 3.43Å; E241-Q244 PolarHBondContact O-N 3.49Å; L242-Q244 PolarHBondContact O-N 3.11Å
245	R	98.5	Very high	98.4	Very high	46 Å²	46	26.2 Å²	26.2	17%	0.174	15%	0.149	C	C	.	.	H	α-helix	trans	-75.6	-23.3	174.8	-69.2	178.1	-179.1	-74.8	-6.1	113.4	N205 E241 L242 A243 P248 I261 L263	N205-R245 VanDerWaalsContact CB-NH2 3.27Å; N205-R245 PolarHBondContact OD1-NH1 3.28Å; E241-R245 WeakPolarHBondContact O-CG 3.41Å; E241-R245 PolarHBondContact O-N 2.97Å; E241-R245 IonicContact OE1-NE 2.71Å; E241-R245 IonicContact OE1-NH2 3.85Å; L242-R245 CarbonylContact O-C 3.58Å; L242-R245 WeakPolarHBondContact O-CA 3.4Å; L242-R245 WeakPolarHBondContact O-CB 3.29Å; L242-R245 PolarHBondContact O-N 3.01Å; A243-R245 VanDerWaalsContact C-N 3.27Å; A243-R245 PolarHBondContact O-N 3.48Å; R245-P248 WeakPolarHBondContact O-CD 3.15Å; R245-I261 VanDerWaalsContact O-CD1 3.29Å; R245-I261 WeakPolarHBondContact O-CD1 3.44Å; R245-L263 HydrophobicContact CB-CD2 4.25Å; R245-L263 PolarHBondContact NH1-O 2.84Å
246	L	98.8	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-81.1	-24.7	174.1	-61.4	-176.8	0	0	0	112.5	V210 V212 F215 I220 L242 A243 P248 A249 I261 L263	V210-L246 HydrophobicContact CG2-CD2 4.48Å; V212-L246 HydrophobicContact CG1-CB 4.5Å; V212-L246 HydrophobicContact CG1-CD1 4.5Å; F215-L246 HydrophobicContact CB-CD1 4.17Å; F215-L246 HydrophobicContact CB-CD2 4.37Å; I220-L246 HydrophobicContact CD1-CD1 3.91Å; L242-L246 HydrophobicContact CD1-CD2 4.32Å; L242-L246 HydrophobicContact CD1-CG 4.21Å; L242-L246 HydrophobicContact CG-CD1 4.38Å; L242-L246 HydrophobicContact CG-CG 4.46Å; L242-L246 WeakPolarHBondContact O-CG 3.34Å; L242-L246 PolarHBondContact O-N 2.81Å; A243-L246 PolarHBondContact O-N 3.16Å; L246-P248 VanDerWaalsContact C-N 3.34Å; L246-A249 WeakPolarHBondContact O-CB 3.47Å; L246-A249 PolarHBondContact O-N 2.86Å; L246-I261 HydrophobicContact CD2-CG2 3.71Å; L246-L263 HydrophobicContact CD2-CD2 4.12Å
247	L	98.8	Very high	98.5	Very high	14 Å²	14	26.3 Å²	26.3	7%	0.073	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-52.2	-38.3	-177.4	-72.7	-174.2	0	0	0	115.5	A243 A249 F250 F291 V302 Y303 K306	A243-L247 WeakPolarHBondContact O-CG 3.44Å; A243-L247 PolarHBondContact O-N 3.17Å; A243-L247 VanDerWaalsContact O-N 3.07Å; L247-A249 PolarHBondContact O-N 2.88Å; L247-A249 VanDerWaalsContact O-N 3.07Å; L247-F250 WeakPolarHBondContact O-CB 3.31Å; L247-F250 WeakPolarHBondContact O-CD2 3.01Å; L247-F250 PolarHBondContact O-N 2.94Å; L247-F291 HydrophobicContact CD2-CE2 4.27Å; L247-V302 HydrophobicContact CD1-CG1 3.98Å; L247-V302 HydrophobicContact CD1-CG2 4.01Å; L247-Y303 HydrophobicContact CD1-CE1 4.23Å; L247-Y303 HydrophobicContact CD2-CD1 4.11Å; L247-Y303 HydrophobicContact CD2-CE1 4.47Å; L247-Y303 HydrophobicContact CG-CE1 4.42Å; L247-K306 HydrophobicContact CD2-CG 3.98Å
248	P	98.7	Very high	98.5	Very high	21 Å²	21	25.3 Å²	25.3	14%	0.136	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-58.5	-24	177.9	-24.5	34	0	0	0	113.5	R245 L246 F250 D251 I261 K268	R245-P248 WeakPolarHBondContact O-CD 3.15Å; L246-P248 VanDerWaalsContact C-N 3.34Å; P248-F250 PolarHBondContact O-N 2.87Å; P248-D251 WeakPolarHBondContact CA-OD2 3.26Å; P248-D251 WeakPolarHBondContact O-CB 3.48Å; P248-D251 PolarHBondContact O-N 2.86Å; P248-I261 HydrophobicContact CB-CD1 3.85Å; P248-I261 HydrophobicContact CG-CD1 4.21Å; P248-K268 WeakPolarHBondContact O-CD 3.48Å; P248-K268 WeakPolarHBondContact O-CE 3.23Å; P248-K268 PolarHBondContact O-NZ 3.44Å
249	A	98.7	Very high	98.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-57.4	-30.8	177.1	0	0	0	0	0	112.1	V212 L246 L247 D251 P257 M258 I261	V212-A249 HydrophobicContact CG1-CB 4.45Å; V212-A249 HydrophobicContact CG2-CB 3.59Å; L246-A249 WeakPolarHBondContact O-CB 3.47Å; L246-A249 PolarHBondContact O-N 2.86Å; L247-A249 PolarHBondContact O-N 2.88Å; L247-A249 VanDerWaalsContact O-N 3.07Å; A249-D251 VanDerWaalsContact C-N 3.33Å; A249-P257 HydrophobicContact CB-CB 4.03Å; A249-P257 VanDerWaalsContact O-CA 3.24Å; A249-P257 WeakPolarHBondContact O-CA 3.45Å; A249-M258 PolarHBondContact O-N 2.91Å; A249-I261 HydrophobicContact CB-CB 4.42Å; A249-I261 HydrophobicContact CB-CD1 3.96Å
250	F	98.7	Very high	98.5	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-83.7	-2.4	-179.5	-60.3	-106.4	0	0	0	113.3	L247 P248 T252 G255 P257 L287 F291 K306 I310	L247-F250 WeakPolarHBondContact O-CB 3.31Å; L247-F250 WeakPolarHBondContact O-CD2 3.01Å; L247-F250 PolarHBondContact O-N 2.94Å; P248-F250 PolarHBondContact O-N 2.87Å; F250-T252 PolarHBondContact O-N 3.38Å; F250-G255 WeakPolarHBondContact CD1-O 3.47Å; F250-P257 HydrophobicContact CD1-CB 3.98Å; F250-P257 HydrophobicContact CD1-CG 4.03Å; F250-P257 HydrophobicContact CD2-CB 4.09Å; F250-P257 HydrophobicContact CE1-CB 4.1Å; F250-P257 HydrophobicContact CE1-CG 3.81Å; F250-P257 HydrophobicContact CE2-CB 4.19Å; F250-P257 HydrophobicContact CG-CB 3.99Å; F250-P257 HydrophobicContact CZ-CB 4.22Å; F250-P257 HydrophobicContact CZ-CG 4.13Å; F250-L287 HydrophobicContact CE1-CD1 4.02Å; F250-L287 HydrophobicContact CZ-CD1 3.58Å; F250-F291 HydrophobicContact CE1-CE2 4.38Å; F250-F291 AromaticContact CE2-CE2 3.79Å; F250-F291 HydrophobicContact CE2-CE2 3.79Å; F250-F291 HydrophobicContact CE2-CZ 4.04Å; F250-F291 HydrophobicContact CZ-CD2 4.31Å; F250-F291 AromaticContact CZ-CE2 3.47Å; F250-F291 HydrophobicContact CZ-CE2 3.47Å; F250-F291 VanDerWaalsContact CZ-CE2 3.47Å; F250-F291 AromaticContact CZ-CZ 3.94Å; F250-F291 HydrophobicContact CZ-CZ 3.94Å; F250-K306 HydrophobicContact CB-CD 3.88Å; F250-K306 HydrophobicContact CD1-CB 3.87Å; F250-K306 HydrophobicContact CD1-CD 3.94Å; F250-K306 HydrophobicContact CD1-CG 4.08Å; F250-K306 HydrophobicContact CE1-CB 3.77Å; F250-K306 HydrophobicContact CE1-CG 4.34Å; F250-K306 HydrophobicContact CG-CD 4Å; F250-K306 HydrophobicContact CG-CG 4.28Å; F250-K306 HydrophobicContact CZ-CB 4.39Å; F250-I310 HydrophobicContact CD1-CD1 4.3Å; F250-I310 HydrophobicContact CE1-CD1 3.79Å
251	D	97.9	Very high	98.5	Very high	101 Å²	101	24 Å²	24	54%	0.54	14%	0.135	S	C	.	.			trans	-78.6	65.8	176.9	-56.6	-28.4	0	0	0	110.1	P248 A249 K268	P248-D251 WeakPolarHBondContact CA-OD2 3.26Å; P248-D251 WeakPolarHBondContact O-CB 3.48Å; P248-D251 PolarHBondContact O-N 2.86Å; A249-D251 VanDerWaalsContact C-N 3.33Å; D251-K268 WeakPolarHBondContact O-CE 3.35Å; D251-K268 IonicContact OD2-NZ 3.57Å
252	T	98.3	Very high	98.5	Very high	17 Å²	17	22.8 Å²	22.8	10%	0.104	13%	0.13	C	C	.	.	S	Bend	trans	-120.2	155.6	174	70.5	0	0	0	0	108.2	F250 S254 G255 I256 M258 P330	F250-T252 PolarHBondContact O-N 3.38Å; T252-S254 PolarHBondContact O-N 3.1Å; T252-G255 PolarHBondContact O-N 2.87Å; T252-G255 PolarHBondContact OG1-N 3.15Å; T252-G255 VanDerWaalsContact OG1-N 3.13Å; T252-I256 WeakPolarHBondContact CB-O 3.29Å; T252-I256 WeakPolarHBondContact CG2-O 3.36Å; T252-I256 PolarHBondContact OG1-N 3.12Å; T252-I256 PolarHBondContact OG1-O 3.15Å; T252-M258 HydrophobicContact CG2-CE 4.13Å; T252-M258 HydrophobicContact CG2-CG 4.05Å; T252-P330 WeakPolarHBondContact CB-O 2.98Å; T252-P330 HydrophobicContact CG2-CB 4.04Å; T252-P330 PolarHBondContact OG1-O 3.36Å
253	P	98.1	Very high	98.4	Very high	107 Å²	107	22.9 Å²	22.9	70%	0.695	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-28.3	-179.6	-27.8	35.4	0	0	0	114.5	N331	P253-N331 WeakPolarHBondContact CD-OD1 3.33Å; P253-N331 HydrophobicContact CG-CB 4.14Å; P253-N331 WeakPolarHBondContact CG-OD1 3.44Å
254	S	97.6	Very high	98.4	Very high	22 Å²	22	28.2 Å²	28.2	15%	0.154	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-21.5	176.4	70.8	0	0	0	0	114.6	T252 I256 I313 P330 K333	T252-S254 PolarHBondContact O-N 3.1Å; S254-I256 VanDerWaalsContact C-N 3.34Å; S254-I256 WeakPolarHBondContact OG-CB 3.46Å; S254-I256 WeakPolarHBondContact OG-CG1 3.17Å; S254-I256 PolarHBondContact OG-N 3.35Å; S254-I256 VanDerWaalsContact OG-N 3.09Å; S254-I313 WeakPolarHBondContact O-CD1 3.28Å; S254-P330 VanDerWaalsContact CB-O 3.28Å; S254-P330 WeakPolarHBondContact CB-O 3.38Å; S254-P330 PolarHBondContact N-O 3.06Å; S254-P330 VanDerWaalsContact OG-C 3.29Å; S254-P330 PolarHBondContact OG-O 3.49Å; S254-K333 VanDerWaalsContact CB-CG 3.45Å
255	G	98.1	Very high	98.4	Very high	19 Å²	19	27.6 Å²	27.6	20%	0.196	15%	0.154	C	C	.	.			trans	86.3	-6.1	-167.7	0	0	0	0	0	114.8	F250 T252	F250-G255 WeakPolarHBondContact CD1-O 3.47Å; T252-G255 PolarHBondContact O-N 2.87Å; T252-G255 PolarHBondContact OG1-N 3.15Å; T252-G255 VanDerWaalsContact OG1-N 3.13Å
256	I	98.7	Very high	98.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-67.7	126.2	171.2	-63.3	166.9	0	0	0	108.7	T252 S254 F284 I313 M328 P330 K333	T252-I256 WeakPolarHBondContact CB-O 3.29Å; T252-I256 WeakPolarHBondContact CG2-O 3.36Å; T252-I256 PolarHBondContact OG1-N 3.12Å; T252-I256 PolarHBondContact OG1-O 3.15Å; S254-I256 VanDerWaalsContact C-N 3.34Å; S254-I256 WeakPolarHBondContact OG-CB 3.46Å; S254-I256 WeakPolarHBondContact OG-CG1 3.17Å; S254-I256 PolarHBondContact OG-N 3.35Å; S254-I256 VanDerWaalsContact OG-N 3.09Å; I256-F284 HydrophobicContact CG2-CB 4.02Å; I256-F284 HydrophobicContact CG2-CD1 3.84Å; I256-F284 HydrophobicContact CG2-CD2 4.29Å; I256-F284 HydrophobicContact CG2-CE1 4.39Å; I256-F284 HydrophobicContact CG2-CG 3.81Å; I256-I313 HydrophobicContact CD1-CD1 4.3Å; I256-I313 HydrophobicContact CD1-CG2 4.28Å; I256-I313 HydrophobicContact CG1-CD1 3.94Å; I256-M328 HydrophobicContact CD1-CG 3.9Å; I256-M328 HydrophobicContact CD1-SD 3.25Å; I256-M328 WeakPolarHBondContact CD1-SD 3.44Å; I256-P330 HydrophobicContact CB-CB 4.13Å; I256-P330 HydrophobicContact CG2-CB 4.22Å; I256-P330 WeakPolarHBondContact O-CB 3.17Å; I256-K333 HydrophobicContact CD1-CG 4.43Å
257	P	98.7	Very high	98.4	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.032	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-68.5	150.6	-178.2	27.2	-34.9	0	0	0	112.2	A249 F250 S279 F284 L287 I310	A249-P257 HydrophobicContact CB-CB 4.03Å; A249-P257 VanDerWaalsContact O-CA 3.24Å; A249-P257 WeakPolarHBondContact O-CA 3.45Å; F250-P257 HydrophobicContact CD1-CB 3.98Å; F250-P257 HydrophobicContact CD1-CG 4.03Å; F250-P257 HydrophobicContact CD2-CB 4.09Å; F250-P257 HydrophobicContact CE1-CB 4.1Å; F250-P257 HydrophobicContact CE1-CG 3.81Å; F250-P257 HydrophobicContact CE2-CB 4.19Å; F250-P257 HydrophobicContact CG-CB 3.99Å; F250-P257 HydrophobicContact CZ-CB 4.22Å; F250-P257 HydrophobicContact CZ-CG 4.13Å; P257-S279 WeakPolarHBondContact O-CB 3.41Å; P257-S279 PolarHBondContact O-OG 3.46Å; P257-F284 HydrophobicContact CG-CB 3.75Å; P257-L287 HydrophobicContact CG-CD1 3.77Å; P257-I310 HydrophobicContact CG-CD1 4.25Å
258	M	98.6	Very high	98.3	Very high	38 Å²	38	32.6 Å²	32.6	19%	0.187	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-76.3	149.5	162.2	-61.4	-168.5	-177.1	0	0	110.5	V212 A249 T252 L260 K268 R269 N270	V212-M258 WeakPolarHBondContact CG2-O 3.34Å; A249-M258 PolarHBondContact O-N 2.91Å; T252-M258 HydrophobicContact CG2-CE 4.13Å; T252-M258 HydrophobicContact CG2-CG 4.05Å; M258-L260 VanDerWaalsContact C-N 3.34Å; M258-L260 PolarHBondContact O-N 2.95Å; M258-K268 HydrophobicContact CB-CB 4.21Å; M258-K268 HydrophobicContact CG-CD 4.39Å; M258-K268 HydrophobicContact CG-CG 4.48Å; M258-K268 HydrophobicContact SD-CB 4.09Å; M258-K268 HydrophobicContact SD-CD 4.18Å; M258-K268 HydrophobicContact SD-CG 3.79Å; M258-R269 VanDerWaalsContact SD-CA 3.56Å; M258-N270 WeakPolarHBondContact CA-OD1 3.48Å; M258-N270 WeakPolarHBondContact CB-OD1 3.23Å
259	S	98.2	Very high	98.3	Very high	3 Å²	3	36 Å²	36	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-58.8	-40.1	-176.2	-60.7	0	0	0	0	114.1	S211 V212 N270 E283	S211-S259 WeakPolarHBondContact CA-O 3.5Å; V212-S259 PolarHBondContact N-O 3.41Å; S259-N270 PolarHBondContact N-OD1 3.21Å; S259-N270 PolarHBondContact OG-OD1 2.8Å; S259-E283 WeakPolarHBondContact CA-OE2 3.47Å; S259-E283 WeakPolarHBondContact CB-OE2 3.03Å; S259-E283 PolarHBondContact OG-OE2 2.69Å
260	L	98.5	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.4	-172.1	-57.1	170.3	0	0	0	111.4	F164 Q209 V210 M258 K268 R269 F271	F164-L260 HydrophobicContact CE1-CD1 4.04Å; F164-L260 HydrophobicContact CE1-CD2 4.07Å; F164-L260 HydrophobicContact CZ-CD1 3.91Å; F164-L260 HydrophobicContact CZ-CD2 4.38Å; Q209-L260 HydrophobicContact CG-CB 3.81Å; Q209-L260 HydrophobicContact CG-CD1 4.49Å; Q209-L260 HydrophobicContact CG-CD2 4.48Å; V210-L260 VanDerWaalsContact O-CA 3.28Å; V210-L260 WeakPolarHBondContact O-CA 3.18Å; M258-L260 VanDerWaalsContact C-N 3.34Å; M258-L260 PolarHBondContact O-N 2.95Å; L260-K268 CarbonylContact O-C 3.6Å; L260-K268 WeakPolarHBondContact O-CA 3.49Å; L260-R269 WeakPolarHBondContact CA-O 3.47Å; L260-R269 HydrophobicContact CB-CG 4.24Å; L260-R269 VanDerWaalsContact CB-O 3.28Å; L260-R269 WeakPolarHBondContact CB-O 3.34Å; L260-R269 HydrophobicContact CD1-CG 4.27Å; L260-R269 PolarHBondContact N-O 3.34Å; L260-R269 PolarHBondContact O-N 2.88Å; L260-F271 HydrophobicContact CD1-CD1 3.91Å; L260-F271 HydrophobicContact CD1-CE1 3.89Å; L260-F271 HydrophobicContact CD1-CG 4.39Å; L260-F271 HydrophobicContact CD1-CZ 4.33Å; L260-F271 HydrophobicContact CD2-CE1 3.81Å; L260-F271 HydrophobicContact CD2-CE2 4.22Å; L260-F271 HydrophobicContact CD2-CZ 3.59Å; L260-F271 HydrophobicContact CG-CD1 4.45Å; L260-F271 HydrophobicContact CG-CE1 4.12Å; L260-F271 HydrophobicContact CG-CE2 4.32Å; L260-F271 HydrophobicContact CG-CZ 4.05Å
261	I	98.5	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.8	176.4	-173.9	158.7	0	0	0	111.7	Q209 V210 V212 R245 L246 P248 A249 D267	Q209-I261 CarbonylContact C-O 3.12Å; Q209-I261 VanDerWaalsContact CA-O 3.3Å; Q209-I261 WeakPolarHBondContact CA-O 3.48Å; V210-I261 HydrophobicContact CG2-CG2 3.87Å; V210-I261 PolarHBondContact N-O 3.5Å; V210-I261 PolarHBondContact O-N 2.75Å; V212-I261 HydrophobicContact CG2-CB 4.07Å; V212-I261 HydrophobicContact CG2-CG2 3.6Å; R245-I261 VanDerWaalsContact O-CD1 3.29Å; R245-I261 WeakPolarHBondContact O-CD1 3.44Å; L246-I261 HydrophobicContact CD2-CG2 3.71Å; P248-I261 HydrophobicContact CB-CD1 3.85Å; P248-I261 HydrophobicContact CG-CD1 4.21Å; A249-I261 HydrophobicContact CB-CB 4.42Å; A249-I261 HydrophobicContact CB-CD1 3.96Å; I261-D267 CarbonylContact C-O 3.58Å; I261-D267 WeakPolarHBondContact CA-O 3.36Å
262	N	98.6	Very high	97.9	Very high	20 Å²	20	37.5 Å²	37.5	11%	0.107	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	120.7	166.8	-175.3	-58.5	0	0	0	110.4	N207 T208 K264 T265 G266 D267	N207-N262 PolarHBondContact OD1-ND2 2.99Å; N207-N262 PolarHBondContact OD1-OD1 3.34Å; T208-N262 VanDerWaalsContact O-CA 3.3Å; T208-N262 WeakPolarHBondContact O-CA 3.34Å; N262-K264 PolarHBondContact O-N 3.23Å; N262-K264 PolarHBondContact OD1-N 2.94Å; N262-T265 VanDerWaalsContact CB-OG1 3.31Å; N262-T265 WeakPolarHBondContact CB-OG1 3.38Å; N262-T265 VanDerWaalsContact CG-OG1 3.29Å; N262-T265 PolarHBondContact OD1-N 3.5Å; N262-T265 PolarHBondContact OD1-OG1 3.49Å; N262-G266 WeakPolarHBondContact O-CA 3.23Å; N262-G266 PolarHBondContact O-N 2.88Å; N262-D267 HydrophobicContact CB-CB 4.34Å; N262-D267 PolarHBondContact N-O 2.95Å
263	L	98.3	Very high	97.6	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-19.8	-173.6	-68.2	179.6	0	0	0	114.8	L171 F204 T208 V210 F215 L242 R245 L246	L171-L263 HydrophobicContact CD1-CD1 3.8Å; F204-L263 HydrophobicContact CD1-CD1 4.44Å; F204-L263 VanDerWaalsContact O-CB 3.28Å; F204-L263 WeakPolarHBondContact O-CB 3.48Å; T208-L263 HydrophobicContact CG2-CD1 4.28Å; T208-L263 PolarHBondContact O-N 2.64Å; V210-L263 HydrophobicContact CG1-CD1 3.87Å; V210-L263 HydrophobicContact CG1-CG 4.02Å; V210-L263 HydrophobicContact CG2-CD1 4.3Å; V210-L263 HydrophobicContact CG2-CD2 3.68Å; V210-L263 HydrophobicContact CG2-CG 3.79Å; F215-L263 HydrophobicContact CE1-CD1 4.04Å; F215-L263 HydrophobicContact CZ-CD1 4.4Å; L242-L263 HydrophobicContact CD1-CD2 4.02Å; R245-L263 HydrophobicContact CB-CD2 4.25Å; R245-L263 PolarHBondContact NH1-O 2.84Å; L246-L263 HydrophobicContact CD2-CD2 4.12Å
264	K	98.1	Very high	97.4	Very high	112 Å²	112	37 Å²	37	49%	0.487	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-47.5	178.2	-178.4	175	-174.6	176.4	0	112.5	K206 N207 N262	K206-K264 VanDerWaalsContact O-CB 3.27Å; K206-K264 WeakPolarHBondContact O-CB 3.49Å; K206-K264 PolarHBondContact O-N 2.97Å; K206-K264 VanDerWaalsContact O-N 3.16Å; N207-K264 HydrophobicContact CB-CB 4.48Å; N207-K264 HydrophobicContact CB-CD 4.03Å; N262-K264 PolarHBondContact O-N 3.23Å; N262-K264 PolarHBondContact OD1-N 2.94Å
265	T	98.1	Very high	96.9	Very high	49 Å²	49	37.8 Å²	37.8	30%	0.301	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-23	-173	68.4	0	0	0	0	113.3	N262 D267	N262-T265 VanDerWaalsContact CB-OG1 3.31Å; N262-T265 WeakPolarHBondContact CB-OG1 3.38Å; N262-T265 VanDerWaalsContact CG-OG1 3.29Å; N262-T265 PolarHBondContact OD1-N 3.5Å; N262-T265 PolarHBondContact OD1-OG1 3.49Å; T265-D267 WeakPolarHBondContact CB-OD2 3.48Å; T265-D267 PolarHBondContact O-N 3.41Å; T265-D267 WeakPolarHBondContact OG1-CB 3.42Å; T265-D267 PolarHBondContact OG1-N 3.28Å; T265-D267 PolarHBondContact OG1-OD2 3.26Å
266	G	98.1	Very high	96.5	Very high	15 Å²	15	39.5 Å²	39.5	16%	0.155	21%	0.209	C	C	.	.			trans	75	5.2	-170.7	0	0	0	0	0	113.8	N262	N262-G266 WeakPolarHBondContact O-CA 3.23Å; N262-G266 PolarHBondContact O-N 2.88Å
267	D	98.3	Very high	96.3	Very high	87 Å²	87	47.6 Å²	47.6	47%	0.465	24%	0.24	S	C	.	.			trans	-63	136.1	174.2	-66.4	-40.1	0	0	0	109.9	I261 N262 T265	I261-D267 CarbonylContact C-O 3.58Å; I261-D267 WeakPolarHBondContact CA-O 3.36Å; N262-D267 HydrophobicContact CB-CB 4.34Å; N262-D267 PolarHBondContact N-O 2.95Å; T265-D267 WeakPolarHBondContact CB-OD2 3.48Å; T265-D267 PolarHBondContact O-N 3.41Å; T265-D267 WeakPolarHBondContact OG1-CB 3.42Å; T265-D267 PolarHBondContact OG1-N 3.28Å; T265-D267 PolarHBondContact OG1-OD2 3.26Å
268	K	98	Very high	96.2	Very high	62 Å²	62	47.4 Å²	47.4	27%	0.27	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.6	-167.3	55.7	-179.6	164.8	-83.6	0	111.7	P248 D251 M258 L260	P248-K268 WeakPolarHBondContact O-CD 3.48Å; P248-K268 WeakPolarHBondContact O-CE 3.23Å; P248-K268 PolarHBondContact O-NZ 3.44Å; D251-K268 WeakPolarHBondContact O-CE 3.35Å; D251-K268 IonicContact OD2-NZ 3.57Å; M258-K268 HydrophobicContact CB-CB 4.21Å; M258-K268 HydrophobicContact CG-CD 4.39Å; M258-K268 HydrophobicContact CG-CG 4.48Å; M258-K268 HydrophobicContact SD-CB 4.09Å; M258-K268 HydrophobicContact SD-CD 4.18Å; M258-K268 HydrophobicContact SD-CG 3.79Å; L260-K268 CarbonylContact O-C 3.6Å; L260-K268 WeakPolarHBondContact O-CA 3.49Å
269	R	97.6	Very high	96.2	Very high	94 Å²	94	45.7 Å²	45.7	36%	0.355	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	158	176.7	64.4	-175.6	-175.2	84.5	-4.6	111	Q209 M258 L260	Q209-R269 VanDerWaalsContact NE2-NE 3.18Å; M258-R269 VanDerWaalsContact SD-CA 3.56Å; L260-R269 WeakPolarHBondContact CA-O 3.47Å; L260-R269 HydrophobicContact CB-CG 4.24Å; L260-R269 VanDerWaalsContact CB-O 3.28Å; L260-R269 WeakPolarHBondContact CB-O 3.34Å; L260-R269 HydrophobicContact CD1-CG 4.27Å; L260-R269 PolarHBondContact N-O 3.34Å; L260-R269 PolarHBondContact O-N 2.88Å
270	N	98.1	Very high	96.2	Very high	16 Å²	16	45.5 Å²	45.5	9%	0.086	23%	0.229	C	C	.	.			trans	-84.3	166.6	164	-72.8	-24.9	0	0	0	110.8	M258 S259 R277 S279	M258-N270 WeakPolarHBondContact CA-OD1 3.48Å; M258-N270 WeakPolarHBondContact CB-OD1 3.23Å; S259-N270 PolarHBondContact N-OD1 3.21Å; S259-N270 PolarHBondContact OG-OD1 2.8Å; N270-R277 VanDerWaalsContact CB-O 3.31Å; N270-R277 WeakPolarHBondContact CB-O 3.32Å; N270-R277 PolarHBondContact ND2-O 2.99Å; N270-S279 PolarHBondContact ND2-N 2.71Å; N270-S279 VanDerWaalsContact ND2-N 3.16Å; N270-S279 PolarHBondContact ND2-OG 2.82Å; N270-S279 PolarHBondContact OD1-OG 3.35Å
271	F	95.4	Very high	96.3	Very high	20 Å²	20	45.5 Å²	45.5	9%	0.088	23%	0.229	C	C	.	.			trans	-61.2	140	171.5	-66.7	-81.9	0	0	0	111.1	F164 V165 L260 W273 A274 I280 E283	F164-F271 HydrophobicContact CE1-CE1 4.1Å; V165-F271 HydrophobicContact CG1-CZ 4.38Å; L260-F271 HydrophobicContact CD1-CD1 3.91Å; L260-F271 HydrophobicContact CD1-CE1 3.89Å; L260-F271 HydrophobicContact CD1-CG 4.39Å; L260-F271 HydrophobicContact CD1-CZ 4.33Å; L260-F271 HydrophobicContact CD2-CE1 3.81Å; L260-F271 HydrophobicContact CD2-CE2 4.22Å; L260-F271 HydrophobicContact CD2-CZ 3.59Å; L260-F271 HydrophobicContact CG-CD1 4.45Å; L260-F271 HydrophobicContact CG-CE1 4.12Å; L260-F271 HydrophobicContact CG-CE2 4.32Å; L260-F271 HydrophobicContact CG-CZ 4.05Å; F271-W273 HydrophobicContact CB-CD2 4.01Å; F271-W273 HydrophobicContact CB-CG 4.17Å; F271-W273 HydrophobicContact CB-CZ2 3.92Å; F271-W273 AromaticContact CD1-CE2 3.98Å; F271-W273 HydrophobicContact CD1-CZ2 4.15Å; F271-W273 AromaticContact CD1-NE1 3.44Å; F271-W273 AromaticContact CD2-CZ2 3.89Å; F271-W273 HydrophobicContact CD2-CZ2 3.89Å; F271-W273 HydrophobicContact CE2-CZ2 4.43Å; F271-W273 AromaticContact CG-CE2 3.7Å; F271-W273 AromaticContact CG-CZ2 3.73Å; F271-W273 HydrophobicContact CG-CZ2 3.73Å; F271-W273 AromaticContact CG-NE1 3.6Å; F271-W273 PolarHBondContact O-N 3.45Å; F271-A274 HydrophobicContact CB-CB 4.12Å; F271-A274 WeakPolarHBondContact O-CB 3.42Å; F271-A274 PolarHBondContact O-N 3.1Å; F271-I280 HydrophobicContact CD2-CD1 3.96Å; F271-I280 HydrophobicContact CE2-CD1 4.26Å; F271-E283 WeakPolarHBondContact CE2-OE1 3.49Å
272	V	94.2	Very high	96.2	Very high	98 Å²	98	45.7 Å²	45.7	59%	0.594	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.1	-177.7	-146.6	0	0	0	0	111.6
273	W	92.6	Very high	96.2	Very high	108 Å²	108	45.5 Å²	45.5	41%	0.409	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-16.1	178	60.7	-106.7	0	0	0	113.6	F271 I280 F327 L345	F271-W273 HydrophobicContact CB-CD2 4.01Å; F271-W273 HydrophobicContact CB-CG 4.17Å; F271-W273 HydrophobicContact CB-CZ2 3.92Å; F271-W273 AromaticContact CD1-CE2 3.98Å; F271-W273 HydrophobicContact CD1-CZ2 4.15Å; F271-W273 AromaticContact CD1-NE1 3.44Å; F271-W273 AromaticContact CD2-CZ2 3.89Å; F271-W273 HydrophobicContact CD2-CZ2 3.89Å; F271-W273 HydrophobicContact CE2-CZ2 4.43Å; F271-W273 AromaticContact CG-CE2 3.7Å; F271-W273 AromaticContact CG-CZ2 3.73Å; F271-W273 HydrophobicContact CG-CZ2 3.73Å; F271-W273 AromaticContact CG-NE1 3.6Å; F271-W273 PolarHBondContact O-N 3.45Å; W273-I280 HydrophobicContact CH2-CD1 3.72Å; W273-I280 HydrophobicContact CZ2-CD1 4.32Å; W273-I280 HydrophobicContact CZ3-CD1 4.49Å; W273-F327 HydrophobicContact CZ3-CE1 4.24Å; W273-F327 HydrophobicContact CZ3-CZ 4.34Å; W273-L345 HydrophobicContact CH2-CD2 3.9Å; W273-L345 HydrophobicContact CZ3-CD2 4.33Å
274	A	92.7	Very high	96.2	Very high	4 Å²	4	45.6 Å²	45.6	3%	0.033	23%	0.229	C	C	.	.	S	Bend	trans	-63.3	142	-178.9	0	0	0	0	0	110.3	F271 G276 R277 F327	F271-A274 HydrophobicContact CB-CB 4.12Å; F271-A274 WeakPolarHBondContact O-CB 3.42Å; F271-A274 PolarHBondContact O-N 3.1Å; A274-G276 PolarHBondContact O-N 3.36Å; A274-G276 VanDerWaalsContact O-N 3.15Å; A274-R277 WeakPolarHBondContact O-CA 3.47Å; A274-R277 PolarHBondContact O-N 2.79Å; A274-F327 HydrophobicContact CB-CD1 4.13Å; A274-F327 HydrophobicContact CB-CE1 3.88Å
275	N	87.5	Confident	96.2	Very high	39 Å²	39	40.4 Å²	40.4	21%	0.209	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-60	121.3	-174.7	-164.3	-32.8	0	0	0	110.3	R277 C278 F327 C336 G337	N275-R277 PolarHBondContact O-N 3.41Å; N275-C278 VanDerWaalsContact O-CB 3.23Å; N275-C278 WeakPolarHBondContact O-CB 3.32Å; N275-C278 PolarHBondContact O-N 3.07Å; N275-C278 VanDerWaalsContact O-N 3.17Å; N275-C278 PolarHBondContact O-SG 2.74Å; N275-C278 VanDerWaalsContact O-SG 3.36Å; N275-F327 HydrophobicContact CB-CD1 4.37Å; N275-F327 HydrophobicContact CB-CD2 3.71Å; N275-F327 HydrophobicContact CB-CE2 3.92Å; N275-F327 HydrophobicContact CB-CG 3.95Å; N275-F327 HydrophobicContact CB-CZ 4.32Å; N275-C336 WeakPolarHBondContact O-CB 3.49Å; N275-G337 VanDerWaalsContact ND2-CA 3.33Å; N275-G337 WeakPolarHBondContact ND2-CA 3.41Å
276	G	90	Very high	96.2	Very high	56 Å²	56	38 Å²	38	58%	0.577	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	64.1	15.5	-175.3	0	0	0	0	0	114.9	A274 C278	A274-G276 PolarHBondContact O-N 3.36Å; A274-G276 VanDerWaalsContact O-N 3.15Å; G276-C278 PolarHBondContact O-N 3.03Å; G276-C278 PolarHBondContact O-SG 3.17Å
277	R	93.6	Very high	96.3	Very high	171 Å²	171	37.3 Å²	37.3	65%	0.645	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	53.8	35	-169.7	-58.3	179.3	174.4	177.5	-2.8	112.3	N270 A274 N275	N270-R277 VanDerWaalsContact CB-O 3.31Å; N270-R277 WeakPolarHBondContact CB-O 3.32Å; N270-R277 PolarHBondContact ND2-O 2.99Å; A274-R277 WeakPolarHBondContact O-CA 3.47Å; A274-R277 PolarHBondContact O-N 2.79Å; N275-R277 PolarHBondContact O-N 3.41Å
278	C	98	Very high	96.3	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.007	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-88	162.1	-178.4	-63.5	0	0	0	0	111.6	N275 G276 F327 M328 C336	N275-C278 VanDerWaalsContact O-CB 3.23Å; N275-C278 WeakPolarHBondContact O-CB 3.32Å; N275-C278 PolarHBondContact O-N 3.07Å; N275-C278 VanDerWaalsContact O-N 3.17Å; N275-C278 PolarHBondContact O-SG 2.74Å; N275-C278 VanDerWaalsContact O-SG 3.36Å; G276-C278 PolarHBondContact O-N 3.03Å; G276-C278 PolarHBondContact O-SG 3.17Å; C278-F327 HydrophobicContact CB-CB 3.94Å; C278-M328 WeakPolarHBondContact CB-O 3.38Å; C278-C336 HydrophobicContact CB-CB 3.64Å; C278-C336 WeakPolarHBondContact CB-SG 3.36Å; C278-C336 WeakPolarHBondContact SG-CB 3.08Å; C278-C336 CovalentContact SG-SG 2.02Å; C278-C336 PolarHBondContact SG-SG 2.85Å
279	S	98.5	Very high	96.3	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.007	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	149.9	178.1	-57.4	0	0	0	0	109.7	P257 N270 F327 M328	P257-S279 WeakPolarHBondContact O-CB 3.41Å; P257-S279 PolarHBondContact O-OG 3.46Å; N270-S279 PolarHBondContact ND2-N 2.71Å; N270-S279 VanDerWaalsContact ND2-N 3.16Å; N270-S279 PolarHBondContact ND2-OG 2.82Å; N270-S279 PolarHBondContact OD1-OG 3.35Å; S279-F327 CarbonylContact O-C 3.56Å; S279-F327 VanDerWaalsContact O-CA 3.26Å; S279-F327 WeakPolarHBondContact O-CA 3.27Å; S279-M328 PolarHBondContact N-O 3.48Å; S279-M328 PolarHBondContact O-N 3.36Å
280	I	98.6	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	135.6	-172.6	-65.9	161.5	0	0	0	110.9	F271 W273 S282 E283 F284 N326 F327 L345	F271-I280 HydrophobicContact CD2-CD1 3.96Å; F271-I280 HydrophobicContact CE2-CD1 4.26Å; W273-I280 HydrophobicContact CH2-CD1 3.72Å; W273-I280 HydrophobicContact CZ2-CD1 4.32Å; W273-I280 HydrophobicContact CZ3-CD1 4.49Å; I280-S282 PolarHBondContact O-N 3.1Å; I280-E283 HydrophobicContact CB-CB 4.1Å; I280-E283 HydrophobicContact CB-CG 3.81Å; I280-E283 HydrophobicContact CD1-CG 4.45Å; I280-E283 HydrophobicContact CG2-CG 4Å; I280-E283 WeakPolarHBondContact O-CB 3.4Å; I280-E283 PolarHBondContact O-N 3.13Å; I280-F284 VanDerWaalsContact C-CD1 3.41Å; I280-F284 WeakPolarHBondContact O-CD1 3.28Å; I280-F284 VanDerWaalsContact O-CE1 3.31Å; I280-F284 WeakPolarHBondContact O-CE1 3.45Å; I280-F284 PolarHBondContact O-N 3.38Å; I280-N326 CarbonylContact C-O 3.59Å; I280-N326 WeakPolarHBondContact CA-O 3.5Å; I280-F327 HydrophobicContact CD1-CE1 4.46Å; I280-F327 HydrophobicContact CG1-CD1 3.9Å; I280-F327 HydrophobicContact CG1-CE1 3.73Å; I280-L345 HydrophobicContact CD1-CD2 3.79Å; I280-L345 HydrophobicContact CG1-CD2 4.12Å; I280-L345 HydrophobicContact CG2-CB 3.79Å; I280-L345 HydrophobicContact CG2-CD2 3.68Å; I280-L345 HydrophobicContact CG2-CG 4.38Å; I280-L345 WeakPolarHBondContact CG2-O 3.46Å
281	L	98.6	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-49.2	-174.1	177.4	65.4	0	0	0	113.2	E283 F284 G285 L314 F324 N326 W335 F349 Y350	L281-E283 PolarHBondContact O-N 3.1Å; L281-F284 VanDerWaalsContact CA-CE1 3.5Å; L281-F284 HydrophobicContact CB-CE1 4.45Å; L281-F284 HydrophobicContact CB-CZ 4.27Å; L281-F284 HydrophobicContact CD1-CE2 3.86Å; L281-F284 HydrophobicContact CD1-CZ 3.76Å; L281-G285 VanDerWaalsContact O-CA 3.29Å; L281-G285 WeakPolarHBondContact O-CA 3.32Å; L281-G285 PolarHBondContact O-N 2.68Å; L281-L314 HydrophobicContact CD1-CD2 4.05Å; L281-F324 HydrophobicContact CD1-CB 4.42Å; L281-F324 HydrophobicContact CD2-CB 3.6Å; L281-N326 PolarHBondContact N-O 3.47Å; L281-W335 HydrophobicContact CD1-CH2 4.45Å; L281-F349 HydrophobicContact CD1-CD1 3.95Å; L281-F349 HydrophobicContact CD1-CD2 4.28Å; L281-F349 HydrophobicContact CD1-CE1 4.18Å; L281-F349 HydrophobicContact CD1-CE2 4.49Å; L281-F349 HydrophobicContact CD1-CG 3.98Å; L281-F349 HydrophobicContact CD1-CZ 4.43Å; L281-F349 HydrophobicContact CD2-CD1 3.8Å; L281-F349 HydrophobicContact CD2-CE1 4.3Å; L281-F349 HydrophobicContact CD2-CG 4.38Å; L281-F349 HydrophobicContact CG-CB 4.1Å; L281-F349 HydrophobicContact CG-CD1 3.9Å; L281-F349 HydrophobicContact CG-CG 3.98Å; L281-Y350 HydrophobicContact CD2-CE2 4.42Å
282	S	97.9	Very high	96.6	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-39.2	175.3	59	0	0	0	0	111.1	I280 T286 L345 D347 S348	I280-S282 PolarHBondContact O-N 3.1Å; S282-T286 WeakPolarHBondContact O-CB 3.46Å; S282-T286 PolarHBondContact O-N 3.04Å; S282-T286 PolarHBondContact O-OG1 3.33Å; S282-L345 PolarHBondContact N-O 3.06Å; S282-L345 VanDerWaalsContact OG-C 3.24Å; S282-L345 WeakPolarHBondContact OG-CA 3.5Å; S282-L345 PolarHBondContact OG-O 3.36Å; S282-D347 WeakPolarHBondContact CB-OD1 3.41Å; S282-S348 WeakPolarHBondContact CB-OG 3.47Å
283	E	98.5	Very high	96.7	Very high	17 Å²	17	21.6 Å²	21.6	8%	0.079	11%	0.107	C	C	.	.	H	α-helix	trans	-66.9	-53.7	-178.1	-64.5	-173.2	162.2	0	0	113.5	F213 S259 F271 I280 L281 L287	F213-E283 HydrophobicContact CB-CB 3.73Å; F213-E283 HydrophobicContact CB-CG 3.67Å; F213-E283 HydrophobicContact CD1-CG 4.11Å; F213-E283 HydrophobicContact CD2-CB 4.45Å; F213-E283 HydrophobicContact CG-CB 4.14Å; F213-E283 HydrophobicContact CG-CG 3.87Å; S259-E283 WeakPolarHBondContact CA-OE2 3.47Å; S259-E283 WeakPolarHBondContact CB-OE2 3.03Å; S259-E283 PolarHBondContact OG-OE2 2.69Å; F271-E283 WeakPolarHBondContact CE2-OE1 3.49Å; I280-E283 HydrophobicContact CB-CB 4.1Å; I280-E283 HydrophobicContact CB-CG 3.81Å; I280-E283 HydrophobicContact CD1-CG 4.45Å; I280-E283 HydrophobicContact CG2-CG 4Å; I280-E283 WeakPolarHBondContact O-CB 3.4Å; I280-E283 PolarHBondContact O-N 3.13Å; L281-E283 PolarHBondContact O-N 3.1Å; E283-L287 WeakPolarHBondContact O-CG 3.24Å
284	F	98.5	Very high	97	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.018	9%	0.087	C	C	.	.	H	α-helix	trans	-80.9	-22.7	-178.3	66.7	-106	0	0	0	112.9	I256 P257 I280 L281 I310 L314 M328	I256-F284 HydrophobicContact CG2-CB 4.02Å; I256-F284 HydrophobicContact CG2-CD1 3.84Å; I256-F284 HydrophobicContact CG2-CD2 4.29Å; I256-F284 HydrophobicContact CG2-CE1 4.39Å; I256-F284 HydrophobicContact CG2-CG 3.81Å; P257-F284 HydrophobicContact CG-CB 3.75Å; I280-F284 VanDerWaalsContact C-CD1 3.41Å; I280-F284 WeakPolarHBondContact O-CD1 3.28Å; I280-F284 VanDerWaalsContact O-CE1 3.31Å; I280-F284 WeakPolarHBondContact O-CE1 3.45Å; I280-F284 PolarHBondContact O-N 3.38Å; L281-F284 VanDerWaalsContact CA-CE1 3.5Å; L281-F284 HydrophobicContact CB-CE1 4.45Å; L281-F284 HydrophobicContact CB-CZ 4.27Å; L281-F284 HydrophobicContact CD1-CE2 3.86Å; L281-F284 HydrophobicContact CD1-CZ 3.76Å; F284-I310 HydrophobicContact CD2-CG2 3.84Å; F284-I310 HydrophobicContact CE2-CG2 4.46Å; F284-L314 HydrophobicContact CE2-CD1 4.13Å; F284-L314 HydrophobicContact CE2-CD2 4.07Å; F284-L314 HydrophobicContact CE2-CG 4.4Å; F284-M328 HydrophobicContact CE1-CB 3.91Å; F284-M328 HydrophobicContact CZ-CB 3.79Å
285	G	98	Very high	97.2	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-80.1	-24.6	178.6	0	0	0	0	0	114.1	L281	L281-G285 VanDerWaalsContact O-CA 3.29Å; L281-G285 WeakPolarHBondContact O-CA 3.32Å; L281-G285 PolarHBondContact O-N 2.68Å
286	T	98.6	Very high	97.6	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	43.2	-175.3	-53.7	0	0	0	0	111.8	F213 N216 I217 S282 S348 F349 Y352	F213-T286 HydrophobicContact CE2-CG2 3.8Å; N216-T286 PolarHBondContact ND2-O 2.8Å; I217-T286 HydrophobicContact CG2-CG2 3.89Å; I217-T286 WeakPolarHBondContact CG2-O 3.29Å; S282-T286 WeakPolarHBondContact O-CB 3.46Å; S282-T286 PolarHBondContact O-N 3.04Å; S282-T286 PolarHBondContact O-OG1 3.33Å; T286-S348 WeakPolarHBondContact CB-OG 3.23Å; T286-S348 WeakPolarHBondContact CG2-OG 3.3Å; T286-S348 WeakPolarHBondContact OG1-CB 3.42Å; T286-S348 PolarHBondContact OG1-O 3.23Å; T286-S348 PolarHBondContact OG1-OG 2.78Å; T286-F349 WeakPolarHBondContact OG1-CA 3.13Å; T286-F349 PolarHBondContact OG1-N 3.18Å; T286-F349 VanDerWaalsContact OG1-N 3.1Å; T286-Y352 HydrophobicContact CG2-CD1 3.66Å; T286-Y352 HydrophobicContact CG2-CD2 3.65Å; T286-Y352 HydrophobicContact CG2-CE1 3.41Å; T286-Y352 VanDerWaalsContact CG2-CE1 3.41Å; T286-Y352 HydrophobicContact CG2-CE2 3.38Å; T286-Y352 HydrophobicContact CG2-CG 3.78Å
287	L	98.8	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-11.7	168.9	-56	175.5	0	0	0	112.2	V212 N216 F250 P257 E283 F291 V307	V212-L287 HydrophobicContact CG1-CD1 4.34Å; V212-L287 HydrophobicContact CG1-CD2 4.39Å; N216-L287 HydrophobicContact CB-CD2 3.45Å; N216-L287 VanDerWaalsContact CB-CD2 3.45Å; N216-L287 WeakPolarHBondContact ND2-CA 3.27Å; F250-L287 HydrophobicContact CE1-CD1 4.02Å; F250-L287 HydrophobicContact CZ-CD1 3.58Å; P257-L287 HydrophobicContact CG-CD1 3.77Å; E283-L287 WeakPolarHBondContact O-CG 3.24Å; L287-F291 WeakPolarHBondContact O-CB 3.26Å; L287-F291 PolarHBondContact O-N 3.33Å; L287-V307 HydrophobicContact CB-CG1 3.82Å
288	H	98.7	Very high	97.9	Very high	6 Å²	6	7 Å²	7	3%	0.028	4%	0.036	C	C	.	.	H	α-helix	trans	-65.8	-51.9	-159.3	-157.9	97	0	0	0	112.5	E290 F291 K292 V307 D308 Y352 E356	H288-E290 PolarHBondContact O-N 3.34Å; H288-F291 PolarHBondContact O-N 3.31Å; H288-K292 WeakPolarHBondContact O-CB 3.31Å; H288-K292 WeakPolarHBondContact O-CG 3.3Å; H288-K292 PolarHBondContact O-N 3.13Å; H288-V307 HydrophobicContact CB-CB 4.32Å; H288-V307 PolarHBondContact ND1-O 2.88Å; H288-D308 IonicContact CE1-OD1 2.81Å; H288-D308 PolarHBondContact CE1-OD1 3.44Å; H288-D308 IonicContact NE2-OD1 2.75Å; H288-Y352 HydrophobicContact CB-CD2 4.34Å; H288-E356 IonicContact CD2-OE1 3.48Å
289	M	98.8	Very high	97.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-62.8	-45.1	-172.3	-66.3	179.1	73.8	0	0	112.5	Y293 Y352 K355 E356 R359 V562 L570	M289-Y293 VanDerWaalsContact O-CB 3.27Å; M289-Y293 WeakPolarHBondContact O-CB 3.5Å; M289-Y293 PolarHBondContact O-N 3.14Å; M289-Y352 HydrophobicContact CB-CD2 4.15Å; M289-Y352 HydrophobicContact CB-CE2 3.85Å; M289-Y352 HydrophobicContact CG-CD1 4.49Å; M289-Y352 HydrophobicContact CG-CD2 3.71Å; M289-Y352 HydrophobicContact CG-CE2 3.87Å; M289-Y352 HydrophobicContact CG-CG 4.06Å; M289-Y352 HydrophobicContact SD-CD1 3.78Å; M289-Y352 HydrophobicContact SD-CD2 4.08Å; M289-Y352 HydrophobicContact SD-CE1 3.8Å; M289-Y352 HydrophobicContact SD-CE2 4.12Å; M289-Y352 HydrophobicContact SD-CG 3.92Å; M289-K355 HydrophobicContact CE-CB 3.85Å; M289-K355 HydrophobicContact SD-CB 3.66Å; M289-E356 HydrophobicContact CG-CB 4.44Å; M289-E356 WeakPolarHBondContact CG-OE2 3.5Å; M289-R359 HydrophobicContact CE-CB 4.48Å; M289-V562 HydrophobicContact CE-CB 4.4Å; M289-V562 HydrophobicContact CE-CG1 3.62Å; M289-V562 HydrophobicContact CE-CG2 3.93Å; M289-L570 HydrophobicContact CB-CD1 3.94Å; M289-L570 HydrophobicContact CE-CD1 4.32Å
290	E	98.8	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-69.6	-45.2	-178.7	-60.6	77.1	-169.3	0	0	111.4	N216 I220 L224 H288 Y293 L294 Y352 N564	N216-E290 PolarHBondContact ND2-OE2 2.78Å; N216-E290 WeakPolarHBondContact OD1-CB 3.28Å; I220-E290 HydrophobicContact CG2-CB 3.91Å; I220-E290 HydrophobicContact CG2-CG 4.47Å; L224-E290 HydrophobicContact CD1-CB 4.26Å; H288-E290 PolarHBondContact O-N 3.34Å; E290-Y293 PolarHBondContact O-N 3.12Å; E290-L294 WeakPolarHBondContact O-CB 3.18Å; E290-L294 PolarHBondContact O-N 3.47Å; E290-Y352 PolarHBondContact OE1-OH 2.96Å; E290-Y352 WeakPolarHBondContact OE2-CE2 3.49Å; E290-N564 WeakPolarHBondContact OE1-CB 3.47Å; E290-N564 PolarHBondContact OE1-ND2 3.24Å
291	F	98.8	Very high	97.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.8	-38.5	-179.2	-86.8	37.8	0	0	0	111.8	N216 I220 L247 F250 L287 H288 S295 Y303 K306 V307	N216-F291 WeakPolarHBondContact OD1-CD1 3.45Å; N216-F291 WeakPolarHBondContact OD1-CE1 3.16Å; I220-F291 HydrophobicContact CD1-CE1 4.01Å; L247-F291 HydrophobicContact CD2-CE2 4.27Å; F250-F291 HydrophobicContact CE1-CE2 4.38Å; F250-F291 AromaticContact CE2-CE2 3.79Å; F250-F291 HydrophobicContact CE2-CE2 3.79Å; F250-F291 HydrophobicContact CE2-CZ 4.04Å; F250-F291 HydrophobicContact CZ-CD2 4.31Å; F250-F291 AromaticContact CZ-CE2 3.47Å; F250-F291 HydrophobicContact CZ-CE2 3.47Å; F250-F291 VanDerWaalsContact CZ-CE2 3.47Å; F250-F291 AromaticContact CZ-CZ 3.94Å; F250-F291 HydrophobicContact CZ-CZ 3.94Å; L287-F291 WeakPolarHBondContact O-CB 3.26Å; L287-F291 PolarHBondContact O-N 3.33Å; H288-F291 PolarHBondContact O-N 3.31Å; F291-S295 PolarHBondContact O-N 2.91Å; F291-S295 VanDerWaalsContact O-N 3.07Å; F291-S295 PolarHBondContact O-OG 3.22Å; F291-Y303 WeakPolarHBondContact CD2-O 3.46Å; F291-Y303 HydrophobicContact CE2-CD1 4.49Å; F291-Y303 WeakPolarHBondContact O-CB 3.38Å; F291-K306 HydrophobicContact CD2-CB 4.41Å; F291-V307 HydrophobicContact CB-CB 4.49Å; F291-V307 HydrophobicContact CB-CG1 3.65Å; F291-V307 HydrophobicContact CB-CG2 4.01Å; F291-V307 HydrophobicContact CD2-CG1 3.78Å; F291-V307 HydrophobicContact CG-CG1 3.9Å
292	K	98.2	Very high	97.4	Very high	41 Å²	41	16.4 Å²	16.4	18%	0.178	10%	0.104	C	C	.	.	H	α-helix	trans	-62	-50.1	172.4	-66.2	-67.5	-75.4	-157.8	0	110.2	H288 L294 S295 E296 V307 D308 R359	H288-K292 WeakPolarHBondContact O-CB 3.31Å; H288-K292 WeakPolarHBondContact O-CG 3.3Å; H288-K292 PolarHBondContact O-N 3.13Å; K292-L294 PolarHBondContact O-N 3.27Å; K292-S295 WeakPolarHBondContact O-CB 3.28Å; K292-S295 PolarHBondContact O-N 3.12Å; K292-E296 VanDerWaalsContact O-CG 3.29Å; K292-E296 WeakPolarHBondContact O-CG 3.47Å; K292-E296 PolarHBondContact O-N 2.91Å; K292-V307 HydrophobicContact CD-CG2 3.83Å; K292-V307 HydrophobicContact CG-CG2 3.92Å; K292-D308 IonicContact NZ-OD1 3.08Å; K292-D308 PolarHBondContact NZ-OD1 3.1Å; K292-D308 IonicContact NZ-OD2 3.48Å; K292-D308 PolarHBondContact NZ-OD2 3.06Å; K292-R359 VanDerWaalsContact CB-NH2 3.35Å
293	Y	98.1	Very high	97.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.1	-39	-178.1	-172.8	-137.3	0	0	0	112.9	F104 L224 T228 M289 E290 S295 E296 L297 L570 P571 L578	F104-Y293 HydrophobicContact CD2-CE2 4.23Å; F104-Y293 HydrophobicContact CE1-CE2 4.26Å; F104-Y293 AromaticContact CE2-CD2 3.73Å; F104-Y293 HydrophobicContact CE2-CD2 3.73Å; F104-Y293 AromaticContact CE2-CE2 3.37Å; F104-Y293 HydrophobicContact CE2-CE2 3.37Å; F104-Y293 AromaticContact CZ-CD2 3.7Å; F104-Y293 HydrophobicContact CZ-CD2 3.7Å; F104-Y293 AromaticContact CZ-CE2 3.38Å; F104-Y293 HydrophobicContact CZ-CE2 3.38Å; L224-Y293 HydrophobicContact CB-CD1 4.04Å; L224-Y293 HydrophobicContact CB-CE1 4.17Å; L224-Y293 HydrophobicContact CD1-CD1 3.89Å; L224-Y293 HydrophobicContact CG-CD1 4.4Å; T228-Y293 WeakPolarHBondContact OG1-CE1 3.4Å; T228-Y293 PolarHBondContact OG1-OH 3.41Å; M289-Y293 VanDerWaalsContact O-CB 3.27Å; M289-Y293 WeakPolarHBondContact O-CB 3.5Å; M289-Y293 PolarHBondContact O-N 3.14Å; E290-Y293 PolarHBondContact O-N 3.12Å; Y293-S295 VanDerWaalsContact C-N 3.33Å; Y293-S295 PolarHBondContact O-N 2.9Å; Y293-E296 WeakPolarHBondContact CD2-OE2 3.42Å; Y293-E296 WeakPolarHBondContact O-CB 3.48Å; Y293-E296 PolarHBondContact O-N 3.47Å; Y293-L297 HydrophobicContact CD1-CD1 4.13Å; Y293-L297 HydrophobicContact CD2-CD1 4.34Å; Y293-L297 HydrophobicContact CD2-CG 4.14Å; Y293-L297 HydrophobicContact CE1-CD1 3.7Å; Y293-L297 HydrophobicContact CE1-CG 4.44Å; Y293-L297 HydrophobicContact CE2-CD1 3.91Å; Y293-L297 HydrophobicContact CE2-CD2 3.89Å; Y293-L297 HydrophobicContact CE2-CG 3.74Å; Y293-L297 HydrophobicContact CG-CD1 4.43Å; Y293-L297 WeakPolarHBondContact O-CG 3.34Å; Y293-L297 PolarHBondContact O-N 2.98Å; Y293-L570 HydrophobicContact CD1-CD2 3.68Å; Y293-L570 HydrophobicContact CE1-CD2 3.99Å; Y293-P571 HydrophobicContact CE1-CG 4.36Å; Y293-P571 HydrophobicContact CE2-CG 3.68Å; Y293-P571 WeakPolarHBondContact OH-CG 3.25Å; Y293-L578 WeakPolarHBondContact OH-CD1 3.3Å
294	L	98.1	Very high	97.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-41	174.5	-177.1	63.4	0	0	0	111.8	L224 L236 A239 A240 A243 E290 K292 L297 T298 Y303	L224-L294 HydrophobicContact CD1-CB 4.2Å; L224-L294 HydrophobicContact CD2-CD1 3.95Å; L236-L294 HydrophobicContact CD1-CD1 3.73Å; A239-L294 HydrophobicContact CB-CD1 4.19Å; A240-L294 HydrophobicContact CB-CD1 4.32Å; A243-L294 HydrophobicContact CB-CD2 3.28Å; E290-L294 WeakPolarHBondContact O-CB 3.18Å; E290-L294 PolarHBondContact O-N 3.47Å; K292-L294 PolarHBondContact O-N 3.27Å; L294-L297 PolarHBondContact O-N 2.94Å; L294-T298 HydrophobicContact CD1-CG2 3.72Å; L294-T298 HydrophobicContact CG-CG2 4.27Å; L294-T298 WeakPolarHBondContact O-CB 3.12Å; L294-T298 VanDerWaalsContact O-CG2 3.3Å; L294-T298 WeakPolarHBondContact O-CG2 3.15Å; L294-T298 PolarHBondContact O-N 3.22Å; L294-T298 PolarHBondContact O-OG1 3.17Å; L294-Y303 HydrophobicContact CB-CD2 4.27Å; L294-Y303 HydrophobicContact CD2-CD1 4.1Å; L294-Y303 HydrophobicContact CD2-CD2 3.66Å; L294-Y303 HydrophobicContact CD2-CE1 4.08Å; L294-Y303 HydrophobicContact CD2-CE2 3.59Å; L294-Y303 HydrophobicContact CD2-CG 3.9Å; L294-Y303 HydrophobicContact CG-CD2 3.72Å; L294-Y303 HydrophobicContact CG-CE2 3.73Å; L294-Y303 HydrophobicContact CG-CG 4.37Å
295	S	97.5	Very high	97.5	Very high	10 Å²	10	22.3 Å²	22.3	7%	0.07	13%	0.133	C	C	.	.	H	α-helix	trans	-64.9	-41.6	175.5	-54.9	0	0	0	0	111.6	F291 K292 Y293 L297 T298 G299 N300 Y303 S304	F291-S295 PolarHBondContact O-N 2.91Å; F291-S295 VanDerWaalsContact O-N 3.07Å; F291-S295 PolarHBondContact O-OG 3.22Å; K292-S295 WeakPolarHBondContact O-CB 3.28Å; K292-S295 PolarHBondContact O-N 3.12Å; Y293-S295 VanDerWaalsContact C-N 3.33Å; Y293-S295 PolarHBondContact O-N 2.9Å; S295-L297 VanDerWaalsContact C-N 3.3Å; S295-L297 PolarHBondContact O-N 3.05Å; S295-T298 PolarHBondContact O-N 3.5Å; S295-G299 WeakPolarHBondContact O-CA 3.48Å; S295-G299 PolarHBondContact O-N 3.48Å; S295-N300 WeakPolarHBondContact CA-O 3.48Å; S295-N300 VanDerWaalsContact CB-O 3.28Å; S295-N300 WeakPolarHBondContact CB-O 3.34Å; S295-N300 PolarHBondContact OG-O 2.71Å; S295-Y303 WeakPolarHBondContact OG-CB 3.47Å; S295-S304 WeakPolarHBondContact OG-CB 3.31Å; S295-S304 PolarHBondContact OG-N 2.85Å; S295-S304 PolarHBondContact OG-OG 3.04Å
296	E	95.8	Very high	97.5	Very high	33 Å²	33	24.6 Å²	24.6	15%	0.154	14%	0.142	C	C	.	.	H	α-helix	trans	-61.9	-36.3	177	-69	161.9	-172.6	0	0	112.5	A103 F104 K292 Y293 R359 Q573	A103-E296 HydrophobicContact CB-CB 3.92Å; A103-E296 HydrophobicContact CB-CG 4.02Å; F104-E296 HydrophobicContact CE2-CB 3.99Å; F104-E296 VanDerWaalsContact CE2-OE2 3.29Å; F104-E296 WeakPolarHBondContact CE2-OE2 3.28Å; F104-E296 WeakPolarHBondContact CZ-OE2 3.5Å; K292-E296 VanDerWaalsContact O-CG 3.29Å; K292-E296 WeakPolarHBondContact O-CG 3.47Å; K292-E296 PolarHBondContact O-N 2.91Å; Y293-E296 WeakPolarHBondContact CD2-OE2 3.42Å; Y293-E296 WeakPolarHBondContact O-CB 3.48Å; Y293-E296 PolarHBondContact O-N 3.47Å; E296-R359 IonicContact OE1-CZ 3.93Å; E296-R359 IonicContact OE1-NH1 3.61Å; E296-R359 PolarHBondContact OE1-NH1 3.41Å; E296-R359 VanDerWaalsContact OE1-NH1 3.12Å; E296-R359 IonicContact OE1-NH2 3.6Å; E296-R359 PolarHBondContact OE1-NH2 3.36Å; E296-R359 IonicContact OE2-CZ 3.45Å; E296-R359 IonicContact OE2-NH1 3.12Å; E296-R359 PolarHBondContact OE2-NH1 3.38Å; E296-R359 IonicContact OE2-NH2 2.85Å; E296-Q573 PolarHBondContact OE1-NE2 2.98Å
297	L	95.3	Very high	97.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-81.1	-38.4	178.9	-70.8	178.1	0	0	0	113.6	I101 L224 Y227 L236 Y293 L294 S295 L578	I101-L297 HydrophobicContact CD1-CD2 4.48Å; I101-L297 HydrophobicContact CG2-CD2 3.93Å; L224-L297 HydrophobicContact CD2-CD1 3.81Å; Y227-L297 HydrophobicContact CD1-CD1 3.79Å; Y227-L297 HydrophobicContact CE1-CD1 3.82Å; Y227-L297 HydrophobicContact CE1-CD2 4.01Å; Y227-L297 HydrophobicContact CE1-CG 4.41Å; L236-L297 HydrophobicContact CD1-CB 4.04Å; L236-L297 HydrophobicContact CD1-CD1 4.01Å; L236-L297 HydrophobicContact CD2-CB 4.09Å; Y293-L297 HydrophobicContact CD1-CD1 4.13Å; Y293-L297 HydrophobicContact CD2-CD1 4.34Å; Y293-L297 HydrophobicContact CD2-CG 4.14Å; Y293-L297 HydrophobicContact CE1-CD1 3.7Å; Y293-L297 HydrophobicContact CE1-CG 4.44Å; Y293-L297 HydrophobicContact CE2-CD1 3.91Å; Y293-L297 HydrophobicContact CE2-CD2 3.89Å; Y293-L297 HydrophobicContact CE2-CG 3.74Å; Y293-L297 HydrophobicContact CG-CD1 4.43Å; Y293-L297 WeakPolarHBondContact O-CG 3.34Å; Y293-L297 PolarHBondContact O-N 2.98Å; L294-L297 PolarHBondContact O-N 2.94Å; S295-L297 VanDerWaalsContact C-N 3.3Å; S295-L297 PolarHBondContact O-N 3.05Å; L297-L578 HydrophobicContact CD2-CD1 3.9Å
298	T	94.7	Very high	97.5	Very high	28 Å²	28	27.8 Å²	27.8	17%	0.172	16%	0.159	C	C	.	.	H	α-helix	trans	-92.9	-15.1	-174.5	61	0	0	0	0	113.5	P99 L236 A240 L294 S295 N300	P99-T298 VanDerWaalsContact CG-C 3.49Å; P99-T298 WeakPolarHBondContact CG-O 3.32Å; L236-T298 HydrophobicContact CD1-CG2 3.94Å; L236-T298 HydrophobicContact CG-CG2 4.32Å; A240-T298 HydrophobicContact CB-CG2 4.31Å; L294-T298 HydrophobicContact CD1-CG2 3.72Å; L294-T298 HydrophobicContact CG-CG2 4.27Å; L294-T298 WeakPolarHBondContact O-CB 3.12Å; L294-T298 VanDerWaalsContact O-CG2 3.3Å; L294-T298 WeakPolarHBondContact O-CG2 3.15Å; L294-T298 PolarHBondContact O-N 3.22Å; L294-T298 PolarHBondContact O-OG1 3.17Å; S295-T298 PolarHBondContact O-N 3.5Å; T298-N300 PolarHBondContact O-N 3.31Å; T298-N300 PolarHBondContact OG1-N 2.61Å
299	G	92.8	Very high	97.5	Very high	53 Å²	53	29.6 Å²	29.6	55%	0.546	18%	0.176	S	C	.	.			trans	68	2.3	-171.5	0	0	0	0	0	114.3	S295 P301	S295-G299 WeakPolarHBondContact O-CA 3.48Å; S295-G299 PolarHBondContact O-N 3.48Å; G299-P301 WeakPolarHBondContact O-CD 3.36Å
300	N	95.4	Very high	97.5	Very high	49 Å²	49	29.9 Å²	29.9	26%	0.262	18%	0.177	S	C	.	.			trans	-87.9	112.6	176.6	-176.5	-4.5	0	0	0	109.4	S295 T298 V302 Y303	S295-N300 WeakPolarHBondContact CA-O 3.48Å; S295-N300 VanDerWaalsContact CB-O 3.28Å; S295-N300 WeakPolarHBondContact CB-O 3.34Å; S295-N300 PolarHBondContact OG-O 2.71Å; T298-N300 PolarHBondContact O-N 3.31Å; T298-N300 PolarHBondContact OG1-N 2.61Å; N300-V302 PolarHBondContact O-N 2.93Å; N300-V302 WeakPolarHBondContact OD1-CB 3.43Å; N300-V302 VanDerWaalsContact OD1-CG1 3.31Å; N300-V302 WeakPolarHBondContact OD1-CG1 3.11Å; N300-V302 PolarHBondContact OD1-N 2.04Å; N300-Y303 HydrophobicContact CB-CE2 4.18Å
301	P	96.6	Very high	97.4	Very high	64 Å²	64	30.3 Å²	30.3	42%	0.416	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-14	-173.5	31.4	-36.9	0	0	0	113.5	G299 Y303 S304 E305	G299-P301 WeakPolarHBondContact O-CD 3.36Å; P301-Y303 VanDerWaalsContact C-N 3.26Å; P301-Y303 PolarHBondContact O-N 3.06Å; P301-Y303 VanDerWaalsContact O-N 3.12Å; P301-S304 PolarHBondContact O-N 3.12Å; P301-S304 VanDerWaalsContact O-N 3.09Å; P301-S304 PolarHBondContact O-OG 2.6Å; P301-E305 HydrophobicContact CB-CG 4.37Å; P301-E305 WeakPolarHBondContact O-CG 3.37Å; P301-E305 PolarHBondContact O-N 3.42Å
302	V	98.3	Very high	97.4	Very high	34 Å²	34	35.9 Å²	35.9	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-54.8	-39.7	-170.2	73.3	0	0	0	0	112.9	L247 N300 E305 K306	L247-V302 HydrophobicContact CD1-CG1 3.98Å; L247-V302 HydrophobicContact CD1-CG2 4.01Å; N300-V302 PolarHBondContact O-N 2.93Å; N300-V302 WeakPolarHBondContact OD1-CB 3.43Å; N300-V302 VanDerWaalsContact OD1-CG1 3.31Å; N300-V302 WeakPolarHBondContact OD1-CG1 3.11Å; N300-V302 PolarHBondContact OD1-N 2.04Å; V302-E305 PolarHBondContact O-N 3Å; V302-K306 WeakPolarHBondContact O-CG 3.36Å; V302-K306 PolarHBondContact O-N 2.84Å; V302-K306 VanDerWaalsContact O-N 3.14Å
303	Y	98.5	Very high	97.4	Very high	8 Å²	8	34.8 Å²	34.8	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-69.8	-45.4	-178	-41.2	-70	0	0	0	110.5	A240 A243 L247 F291 L294 S295 N300 P301 E305 K306 V307	A240-Y303 PolarHBondContact O-OH 3.36Å; A243-Y303 HydrophobicContact CB-CD1 3.84Å; A243-Y303 HydrophobicContact CB-CE1 3.43Å; A243-Y303 VanDerWaalsContact CB-CE1 3.43Å; L247-Y303 HydrophobicContact CD1-CE1 4.23Å; L247-Y303 HydrophobicContact CD2-CD1 4.11Å; L247-Y303 HydrophobicContact CD2-CE1 4.47Å; L247-Y303 HydrophobicContact CG-CE1 4.42Å; F291-Y303 WeakPolarHBondContact CD2-O 3.46Å; F291-Y303 HydrophobicContact CE2-CD1 4.49Å; F291-Y303 WeakPolarHBondContact O-CB 3.38Å; L294-Y303 HydrophobicContact CB-CD2 4.27Å; L294-Y303 HydrophobicContact CD2-CD1 4.1Å; L294-Y303 HydrophobicContact CD2-CD2 3.66Å; L294-Y303 HydrophobicContact CD2-CE1 4.08Å; L294-Y303 HydrophobicContact CD2-CE2 3.59Å; L294-Y303 HydrophobicContact CD2-CG 3.9Å; L294-Y303 HydrophobicContact CG-CD2 3.72Å; L294-Y303 HydrophobicContact CG-CE2 3.73Å; L294-Y303 HydrophobicContact CG-CG 4.37Å; S295-Y303 WeakPolarHBondContact OG-CB 3.47Å; N300-Y303 HydrophobicContact CB-CE2 4.18Å; P301-Y303 VanDerWaalsContact C-N 3.26Å; P301-Y303 PolarHBondContact O-N 3.06Å; P301-Y303 VanDerWaalsContact O-N 3.12Å; Y303-E305 VanDerWaalsContact C-N 3.34Å; Y303-E305 PolarHBondContact O-N 3.41Å; Y303-K306 PolarHBondContact O-N 3.02Å; Y303-V307 PolarHBondContact O-N 2.86Å
304	S	98.2	Very high	97.4	Very high	21 Å²	21	34.9 Å²	34.9	15%	0.147	20%	0.199	C	C	.	.	H	α-helix	trans	-60.5	-42.7	175.2	56	0	0	0	0	112.1	S295 P301 K306 V307 D308	S295-S304 WeakPolarHBondContact OG-CB 3.31Å; S295-S304 PolarHBondContact OG-N 2.85Å; S295-S304 PolarHBondContact OG-OG 3.04Å; P301-S304 PolarHBondContact O-N 3.12Å; P301-S304 VanDerWaalsContact O-N 3.09Å; P301-S304 PolarHBondContact O-OG 2.6Å; S304-K306 VanDerWaalsContact C-N 3.29Å; S304-K306 PolarHBondContact O-N 2.98Å; S304-V307 WeakPolarHBondContact O-CG2 3.16Å; S304-V307 PolarHBondContact O-N 3.3Å; S304-D308 VanDerWaalsContact O-CB 3.26Å; S304-D308 WeakPolarHBondContact O-CB 3.16Å; S304-D308 PolarHBondContact O-N 3.48Å
305	E	98.6	Very high	97.4	Very high	118 Å²	118	38.8 Å²	38.8	55%	0.551	22%	0.217	S	C	*	.	H	α-helix	trans	-60.4	-38.3	177.8	-71.7	172.3	176.9	0	0	112.1	P301 V302 Y303 A309	P301-E305 HydrophobicContact CB-CG 4.37Å; P301-E305 WeakPolarHBondContact O-CG 3.37Å; P301-E305 PolarHBondContact O-N 3.42Å; V302-E305 PolarHBondContact O-N 3Å; Y303-E305 VanDerWaalsContact C-N 3.34Å; Y303-E305 PolarHBondContact O-N 3.41Å; E305-A309 VanDerWaalsContact O-CB 3.29Å; E305-A309 WeakPolarHBondContact O-CB 3.42Å; E305-A309 PolarHBondContact O-N 2.9Å
306	K	98.8	Very high	97.4	Very high	52 Å²	52	44.6 Å²	44.6	23%	0.226	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-49	176.7	-69.5	-58.4	-174.5	173.8	0	112.1	L247 F250 F291 V302 Y303 S304 A309 I310	L247-K306 HydrophobicContact CD2-CG 3.98Å; F250-K306 HydrophobicContact CB-CD 3.88Å; F250-K306 HydrophobicContact CD1-CB 3.87Å; F250-K306 HydrophobicContact CD1-CD 3.94Å; F250-K306 HydrophobicContact CD1-CG 4.08Å; F250-K306 HydrophobicContact CE1-CB 3.77Å; F250-K306 HydrophobicContact CE1-CG 4.34Å; F250-K306 HydrophobicContact CG-CD 4Å; F250-K306 HydrophobicContact CG-CG 4.28Å; F250-K306 HydrophobicContact CZ-CB 4.39Å; F291-K306 HydrophobicContact CD2-CB 4.41Å; V302-K306 WeakPolarHBondContact O-CG 3.36Å; V302-K306 PolarHBondContact O-N 2.84Å; V302-K306 VanDerWaalsContact O-N 3.14Å; Y303-K306 PolarHBondContact O-N 3.02Å; S304-K306 VanDerWaalsContact C-N 3.29Å; S304-K306 PolarHBondContact O-N 2.98Å; K306-A309 PolarHBondContact O-N 3.45Å; K306-I310 WeakPolarHBondContact O-CG1 3.49Å; K306-I310 PolarHBondContact O-N 3.22Å
307	V	98.7	Very high	97.4	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-79	-27.3	-176.2	-62.1	0	0	0	0	113.1	L287 H288 F291 K292 Y303 S304 I310 R311	L287-V307 HydrophobicContact CB-CG1 3.82Å; H288-V307 HydrophobicContact CB-CB 4.32Å; H288-V307 PolarHBondContact ND1-O 2.88Å; F291-V307 HydrophobicContact CB-CB 4.49Å; F291-V307 HydrophobicContact CB-CG1 3.65Å; F291-V307 HydrophobicContact CB-CG2 4.01Å; F291-V307 HydrophobicContact CD2-CG1 3.78Å; F291-V307 HydrophobicContact CG-CG1 3.9Å; K292-V307 HydrophobicContact CD-CG2 3.83Å; K292-V307 HydrophobicContact CG-CG2 3.92Å; Y303-V307 PolarHBondContact O-N 2.86Å; S304-V307 WeakPolarHBondContact O-CG2 3.16Å; S304-V307 PolarHBondContact O-N 3.3Å; V307-I310 PolarHBondContact O-N 2.9Å; V307-R311 WeakPolarHBondContact O-CB 3.47Å; V307-R311 PolarHBondContact O-N 3.49Å
308	D	98.6	Very high	97.5	Very high	64 Å²	64	50.4 Å²	50.4	34%	0.342	28%	0.277	S	S	.	.	H	α-helix	trans	-67.7	-37.7	170.3	-70	-19.7	0	0	0	110.7	H288 K292 S304 R311 K312	H288-D308 IonicContact CE1-OD1 2.81Å; H288-D308 PolarHBondContact CE1-OD1 3.44Å; H288-D308 IonicContact NE2-OD1 2.75Å; K292-D308 IonicContact NZ-OD1 3.08Å; K292-D308 PolarHBondContact NZ-OD1 3.1Å; K292-D308 IonicContact NZ-OD2 3.48Å; K292-D308 PolarHBondContact NZ-OD2 3.06Å; S304-D308 VanDerWaalsContact O-CB 3.26Å; S304-D308 WeakPolarHBondContact O-CB 3.16Å; S304-D308 PolarHBondContact O-N 3.48Å; D308-R311 PolarHBondContact O-N 2.92Å; D308-K312 WeakPolarHBondContact O-CB 3.22Å; D308-K312 PolarHBondContact O-N 2.91Å
309	A	98.5	Very high	97.6	Very high	45 Å²	45	52.2 Å²	52.2	37%	0.372	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-41.8	173.4	0	0	0	0	0	112.4	E305 K306 K312 I313	E305-A309 VanDerWaalsContact O-CB 3.29Å; E305-A309 WeakPolarHBondContact O-CB 3.42Å; E305-A309 PolarHBondContact O-N 2.9Å; K306-A309 PolarHBondContact O-N 3.45Å; A309-K312 PolarHBondContact O-N 3.45Å; A309-I313 WeakPolarHBondContact O-CG1 3.01Å; A309-I313 PolarHBondContact O-N 3.48Å; A309-I313 VanDerWaalsContact O-N 3.09Å
310	I	98.7	Very high	97.7	Very high	6 Å²	6	51.6 Å²	51.6	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-46.4	173.6	-67.7	169.1	0	0	0	110.6	F250 P257 F284 K306 V307 K312 I313 L314	F250-I310 HydrophobicContact CD1-CD1 4.3Å; F250-I310 HydrophobicContact CE1-CD1 3.79Å; P257-I310 HydrophobicContact CG-CD1 4.25Å; F284-I310 HydrophobicContact CD2-CG2 3.84Å; F284-I310 HydrophobicContact CE2-CG2 4.46Å; K306-I310 WeakPolarHBondContact O-CG1 3.49Å; K306-I310 PolarHBondContact O-N 3.22Å; V307-I310 PolarHBondContact O-N 2.9Å; I310-K312 VanDerWaalsContact C-N 3.31Å; I310-K312 PolarHBondContact O-N 2.84Å; I310-I313 WeakPolarHBondContact O-CB 2.97Å; I310-I313 PolarHBondContact O-N 2.81Å; I310-I313 VanDerWaalsContact O-N 3.14Å; I310-L314 HydrophobicContact CG2-CD1 3.93Å; I310-L314 PolarHBondContact O-N 2.66Å
311	R	98.2	Very high	97.7	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.03	28%	0.277	C	S	.	.	H	α-helix	trans	-56.6	-46.8	178.1	-176.7	66.9	68.8	-147.6	2.2	110.7	V307 D308 I313 L314 E315 F349 L353	V307-R311 WeakPolarHBondContact O-CB 3.47Å; V307-R311 PolarHBondContact O-N 3.49Å; D308-R311 PolarHBondContact O-N 2.92Å; R311-I313 VanDerWaalsContact C-N 3.35Å; R311-I313 PolarHBondContact O-N 2.93Å; R311-L314 CarbonylContact O-C 3.6Å; R311-L314 PolarHBondContact O-N 3.12Å; R311-L314 VanDerWaalsContact O-N 3.11Å; R311-E315 WeakPolarHBondContact CG-OE1 3.4Å; R311-E315 WeakPolarHBondContact O-CG 3.06Å; R311-E315 PolarHBondContact O-N 3.5Å; R311-F349 VanDerWaalsContact NH1-CE2 3.3Å; R311-L353 VanDerWaalsContact CZ-CD2 3.43Å
312	K	98.3	Very high	97.7	Very high	117 Å²	117	51.3 Å²	51.3	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-58.3	-42	176	-176.4	176.7	178.4	179.3	0	113.1	D308 A309 I310 L314 E315 E316	D308-K312 WeakPolarHBondContact O-CB 3.22Å; D308-K312 PolarHBondContact O-N 2.91Å; A309-K312 PolarHBondContact O-N 3.45Å; I310-K312 VanDerWaalsContact C-N 3.31Å; I310-K312 PolarHBondContact O-N 2.84Å; K312-L314 VanDerWaalsContact C-N 3.32Å; K312-L314 PolarHBondContact O-N 3.39Å; K312-E315 PolarHBondContact O-N 2.96Å; K312-E316 WeakPolarHBondContact CE-OE1 3.5Å; K312-E316 IonicContact NZ-OE1 2.74Å; K312-E316 WeakPolarHBondContact O-CG 3.49Å; K312-E316 PolarHBondContact O-N 3.38Å; K312-E316 VanDerWaalsContact O-N 3.14Å
313	I	98.5	Very high	97.7	Very high	19 Å²	19	49.8 Å²	49.8	10%	0.097	26%	0.256	C	S	.	.	H	α-helix	trans	-60.6	-44.7	175.8	-67.8	164.9	0	0	0	110.6	S254 I256 A309 I310 R311 E315 E316 V317 M328 K333	S254-I313 WeakPolarHBondContact O-CD1 3.28Å; I256-I313 HydrophobicContact CD1-CD1 4.3Å; I256-I313 HydrophobicContact CD1-CG2 4.28Å; I256-I313 HydrophobicContact CG1-CD1 3.94Å; A309-I313 WeakPolarHBondContact O-CG1 3.01Å; A309-I313 PolarHBondContact O-N 3.48Å; A309-I313 VanDerWaalsContact O-N 3.09Å; I310-I313 WeakPolarHBondContact O-CB 2.97Å; I310-I313 PolarHBondContact O-N 2.81Å; I310-I313 VanDerWaalsContact O-N 3.14Å; R311-I313 VanDerWaalsContact C-N 3.35Å; R311-I313 PolarHBondContact O-N 2.93Å; I313-E315 VanDerWaalsContact C-N 3.29Å; I313-E315 PolarHBondContact O-N 2.85Å; I313-E316 PolarHBondContact O-N 2.82Å; I313-V317 WeakPolarHBondContact O-CB 3.4Å; I313-V317 PolarHBondContact O-N 2.78Å; I313-M328 HydrophobicContact CG2-SD 3.93Å; I313-K333 HydrophobicContact CD1-CD 4.11Å; I313-K333 HydrophobicContact CD1-CG 4.41Å; I313-K333 HydrophobicContact CG1-CD 4Å; I313-K333 HydrophobicContact CG2-CB 4.16Å; I313-K333 HydrophobicContact CG2-CD 4.04Å; I313-K333 HydrophobicContact CG2-CG 4.08Å
314	L	98.4	Very high	97.7	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-68.7	-27.3	179.2	-69.4	168.3	0	0	0	112.8	L281 F284 I310 R311 K312 F324 M328 W335 F349	L281-L314 HydrophobicContact CD1-CD2 4.05Å; F284-L314 HydrophobicContact CE2-CD1 4.13Å; F284-L314 HydrophobicContact CE2-CD2 4.07Å; F284-L314 HydrophobicContact CE2-CG 4.4Å; I310-L314 HydrophobicContact CG2-CD1 3.93Å; I310-L314 PolarHBondContact O-N 2.66Å; R311-L314 CarbonylContact O-C 3.6Å; R311-L314 PolarHBondContact O-N 3.12Å; R311-L314 VanDerWaalsContact O-N 3.11Å; K312-L314 VanDerWaalsContact C-N 3.32Å; K312-L314 PolarHBondContact O-N 3.39Å; L314-F324 HydrophobicContact CB-CE1 3.88Å; L314-F324 HydrophobicContact CB-CZ 4.44Å; L314-F324 HydrophobicContact CD2-CD1 3.74Å; L314-F324 HydrophobicContact CD2-CE1 3.78Å; L314-F324 HydrophobicContact CG-CE1 4.45Å; L314-F324 WeakPolarHBondContact O-CE1 3.23Å; L314-M328 HydrophobicContact CD2-CE 3.93Å; L314-W335 HydrophobicContact CD2-CH2 3.9Å; L314-F349 HydrophobicContact CD1-CD2 4.27Å; L314-F349 HydrophobicContact CD1-CE2 3.47Å; L314-F349 VanDerWaalsContact CD1-CE2 3.47Å; L314-F349 HydrophobicContact CD1-CZ 3.95Å
315	E	97.5	Very high	97.7	Very high	81 Å²	81	48.6 Å²	48.6	38%	0.379	25%	0.249	S	C	.	.	H	α-helix	trans	-70.4	-35	171.8	-70.8	173.8	-141.1	0	0	113.1	R311 K312 I313 K366 L370	R311-E315 WeakPolarHBondContact CG-OE1 3.4Å; R311-E315 WeakPolarHBondContact O-CG 3.06Å; R311-E315 PolarHBondContact O-N 3.5Å; K312-E315 PolarHBondContact O-N 2.96Å; I313-E315 VanDerWaalsContact C-N 3.29Å; I313-E315 PolarHBondContact O-N 2.85Å; E315-K366 HydrophobicContact CG-CD 3.93Å; E315-K366 HydrophobicContact CG-CG 3.84Å; E315-K366 VanDerWaalsContact OE1-CG 3.23Å; E315-K366 WeakPolarHBondContact OE1-CG 3.31Å; E315-K366 WeakPolarHBondContact OE2-CG 3.41Å; E315-L370 HydrophobicContact CG-CD1 3.88Å
316	E	96.9	Very high	97.7	Very high	132 Å²	132	43.4 Å²	43.4	62%	0.617	23%	0.225	S	C	*	.	H	α-helix	trans	-95.9	-19	-171.2	-68.1	175.4	175	0	0	113.9	K312 I313	K312-E316 WeakPolarHBondContact CE-OE1 3.5Å; K312-E316 IonicContact NZ-OE1 2.74Å; K312-E316 WeakPolarHBondContact O-CG 3.49Å; K312-E316 PolarHBondContact O-N 3.38Å; K312-E316 VanDerWaalsContact O-N 3.14Å; I313-E316 PolarHBondContact O-N 2.82Å
317	V	97	Very high	97.7	Very high	29 Å²	29	41 Å²	41	18%	0.176	21%	0.214	C	C	.	.	S	Bend	trans	-69.7	142.7	-176.3	72.3	0	0	0	0	111.9	I313 F324 M328 W335	I313-V317 WeakPolarHBondContact O-CB 3.4Å; I313-V317 PolarHBondContact O-N 2.78Å; V317-F324 HydrophobicContact CG1-CE1 4.3Å; V317-M328 HydrophobicContact CB-CE 4.48Å; V317-M328 HydrophobicContact CG1-CE 4.24Å; V317-M328 HydrophobicContact CG2-CE 4.15Å; V317-W335 HydrophobicContact CG1-CZ2 3.6Å; V317-W335 HydrophobicContact CG2-CZ2 4.29Å
318	D	96.2	Very high	97.7	Very high	127 Å²	127	40.9 Å²	40.9	68%	0.679	21%	0.214	S	C	*	.			trans	-61.2	141.2	169	-179.3	55.1	0	0	0	110.4	W335	D318-W335 PolarHBondContact O-NE1 3.41Å
319	R	97.1	Very high	97.7	Very high	66 Å²	66	39.7 Å²	39.7	25%	0.249	21%	0.207	C	C	.	.			trans	-120	97.7	-177.3	-67.4	-170	-63.7	170	-4.4	110	N321 G322 L323 F324 S373	R319-N321 PolarHBondContact O-N 2.57Å; R319-G322 WeakPolarHBondContact O-CA 3.32Å; R319-G322 PolarHBondContact O-N 3.04Å; R319-L323 WeakPolarHBondContact CB-O 3.36Å; R319-F324 HydrophobicContact CG-CD1 4.39Å; R319-F324 HydrophobicContact CG-CE1 4.28Å; R319-S373 PolarHBondContact NH1-OG 3.31Å; R319-S373 PolarHBondContact NH2-OG 2.78Å
320	P	95.5	Very high	97.6	Very high	39 Å²	39	37.7 Å²	37.7	25%	0.253	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-54.4	124.2	175.9	-26.4	35.4	0	0	0	111	G322 L323 L325	P320-G322 PolarHBondContact O-N 3.43Å; P320-G322 VanDerWaalsContact O-N 3.12Å; P320-L323 WeakPolarHBondContact O-CB 3.42Å; P320-L323 PolarHBondContact O-N 2.9Å; P320-L325 HydrophobicContact CG-CD1 4.11Å
321	N	95.3	Very high	97.6	Very high	90 Å²	90	41.4 Å²	41.4	48%	0.481	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	56.8	19.1	-173	-58.1	-51.3	0	0	0	115.3	R319 L323 V381 Y398	R319-N321 PolarHBondContact O-N 2.57Å; N321-L323 VanDerWaalsContact C-N 3.27Å; N321-L323 HydrophobicContact CB-CD1 4.34Å; N321-L323 HydrophobicContact CB-CG 4.29Å; N321-V381 HydrophobicContact CB-CG1 3.96Å; N321-Y398 PolarHBondContact ND2-OH 3.3Å
322	G	97	Very high	97.5	Very high	18 Å²	18	45 Å²	45	19%	0.186	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	79.7	4.1	-173.3	0	0	0	0	0	114.3	R319 P320 S377	R319-G322 WeakPolarHBondContact O-CA 3.32Å; R319-G322 PolarHBondContact O-N 3.04Å; P320-G322 PolarHBondContact O-N 3.43Å; P320-G322 VanDerWaalsContact O-N 3.12Å; G322-S377 WeakPolarHBondContact CA-OG 3.45Å; G322-S377 WeakPolarHBondContact O-CB 3.48Å; G322-S377 PolarHBondContact O-OG 3.14Å
323	L	98.3	Very high	97.4	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-92	140.6	-174.9	-54.5	175.9	0	0	0	111.9	R319 P320 N321 L325 A340 F378 V381 Y398	R319-L323 WeakPolarHBondContact CB-O 3.36Å; P320-L323 WeakPolarHBondContact O-CB 3.42Å; P320-L323 PolarHBondContact O-N 2.9Å; N321-L323 VanDerWaalsContact C-N 3.27Å; N321-L323 HydrophobicContact CB-CD1 4.34Å; N321-L323 HydrophobicContact CB-CG 4.29Å; L323-L325 HydrophobicContact CB-CD2 4.25Å; L323-A340 HydrophobicContact CB-CB 4.09Å; L323-A340 HydrophobicContact CD1-CB 4.04Å; L323-F378 HydrophobicContact CD2-CD1 3.56Å; L323-F378 HydrophobicContact CD2-CE1 3.76Å; L323-V381 HydrophobicContact CD1-CG1 4.15Å; L323-V381 HydrophobicContact CD1-CG2 4.27Å; L323-V381 HydrophobicContact CD2-CG1 4.36Å; L323-V381 HydrophobicContact CD2-CG2 4.08Å; L323-V381 HydrophobicContact CG-CG1 4.39Å; L323-Y398 HydrophobicContact CD1-CD1 3.76Å; L323-Y398 HydrophobicContact CD1-CD2 3.93Å; L323-Y398 HydrophobicContact CD1-CE1 3.93Å; L323-Y398 HydrophobicContact CD1-CE2 4.09Å; L323-Y398 HydrophobicContact CD1-CG 3.78Å
324	F	98.4	Very high	97.3	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-77.9	126.8	156	-66.6	-77.9	0	0	0	107.8	L281 L314 V317 R319 W335 A340 F349 Y350 L370 S374	L281-F324 HydrophobicContact CD1-CB 4.42Å; L281-F324 HydrophobicContact CD2-CB 3.6Å; L314-F324 HydrophobicContact CB-CE1 3.88Å; L314-F324 HydrophobicContact CB-CZ 4.44Å; L314-F324 HydrophobicContact CD2-CD1 3.74Å; L314-F324 HydrophobicContact CD2-CE1 3.78Å; L314-F324 HydrophobicContact CG-CE1 4.45Å; L314-F324 WeakPolarHBondContact O-CE1 3.23Å; V317-F324 HydrophobicContact CG1-CE1 4.3Å; R319-F324 HydrophobicContact CG-CD1 4.39Å; R319-F324 HydrophobicContact CG-CE1 4.28Å; F324-W335 HydrophobicContact CB-CH2 4.01Å; F324-W335 HydrophobicContact CB-CZ2 4.35Å; F324-W335 AromaticContact CD1-CH2 3.71Å; F324-W335 HydrophobicContact CD1-CH2 3.71Å; F324-W335 AromaticContact CD1-CZ2 3.69Å; F324-W335 HydrophobicContact CD1-CZ2 3.69Å; F324-W335 HydrophobicContact CG-CH2 4.39Å; F324-W335 HydrophobicContact CG-CZ2 4.5Å; F324-A340 WeakPolarHBondContact O-CB 3.45Å; F324-F349 HydrophobicContact CB-CE1 4.22Å; F324-F349 HydrophobicContact CD1-CE1 4.42Å; F324-F349 HydrophobicContact CD1-CZ 4.44Å; F324-F349 AromaticContact CD2-CE1 3.61Å; F324-F349 HydrophobicContact CD2-CE1 3.61Å; F324-F349 HydrophobicContact CD2-CZ 4.1Å; F324-F349 HydrophobicContact CE1-CZ 4.43Å; F324-F349 AromaticContact CE2-CE1 3.99Å; F324-F349 HydrophobicContact CE2-CE1 3.99Å; F324-F349 HydrophobicContact CE2-CZ 4.06Å; F324-F349 AromaticContact CG-CE1 3.84Å; F324-F349 HydrophobicContact CG-CE1 3.84Å; F324-F349 HydrophobicContact CG-CZ 4.28Å; F324-F349 HydrophobicContact CZ-CZ 4.22Å; F324-Y350 HydrophobicContact CD2-CE1 4.1Å; F324-Y350 PolarHBondContact O-OH 3.22Å; F324-L370 HydrophobicContact CE2-CD2 4.47Å; F324-L370 HydrophobicContact CZ-CD2 3.99Å; F324-S374 WeakPolarHBondContact CE2-OG 3.26Å
325	L	98.1	Very high	97.3	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-88.1	154.9	-180	-56.3	-177.5	0	0	0	110.3	P320 L323 F327 W335 E339 A340	P320-L325 HydrophobicContact CG-CD1 4.11Å; L323-L325 HydrophobicContact CB-CD2 4.25Å; L325-F327 PolarHBondContact O-N 2.69Å; L325-F327 VanDerWaalsContact O-N 3.13Å; L325-W335 HydrophobicContact CB-CB 4.24Å; L325-W335 HydrophobicContact CB-CD2 3.84Å; L325-W335 HydrophobicContact CB-CE3 3.67Å; L325-W335 HydrophobicContact CB-CG 4.1Å; L325-W335 HydrophobicContact CB-CZ3 4.3Å; L325-W335 HydrophobicContact CD1-CB 3.61Å; L325-W335 HydrophobicContact CD1-CD2 4.44Å; L325-W335 HydrophobicContact CD1-CG 3.84Å; L325-W335 HydrophobicContact CG-CB 4.29Å; L325-W335 HydrophobicContact CG-CD2 4.18Å; L325-W335 HydrophobicContact CG-CE3 4.5Å; L325-W335 HydrophobicContact CG-CG 4.08Å; L325-W335 WeakPolarHBondContact O-CZ3 3.41Å; L325-E339 CarbonylContact C-O 3.6Å; L325-E339 VanDerWaalsContact CA-O 3.26Å; L325-E339 WeakPolarHBondContact CA-O 3.26Å; L325-A340 HydrophobicContact CD2-CB 4.13Å
326	N	98	Very high	97.3	Very high	9 Å²	9	44.6 Å²	44.6	5%	0.048	24%	0.238	C	C	.	.	S	Bend	trans	-68.8	-14.2	-171.8	-72.4	-7.6	0	0	0	114.2	I280 L281 E339 A340 L345	I280-N326 CarbonylContact C-O 3.59Å; I280-N326 WeakPolarHBondContact CA-O 3.5Å; L281-N326 PolarHBondContact N-O 3.47Å; N326-E339 PolarHBondContact N-O 3.31Å; N326-A340 WeakPolarHBondContact OD1-CA 3.28Å; N326-L345 HydrophobicContact CB-CB 4.04Å
327	F	98.5	Very high	97.2	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.4	-176.3	-55.9	-86	0	0	0	112.3	W273 A274 N275 C278 S279 I280 L325 W335 C336 L345	W273-F327 HydrophobicContact CZ3-CE1 4.24Å; W273-F327 HydrophobicContact CZ3-CZ 4.34Å; A274-F327 HydrophobicContact CB-CD1 4.13Å; A274-F327 HydrophobicContact CB-CE1 3.88Å; N275-F327 HydrophobicContact CB-CD1 4.37Å; N275-F327 HydrophobicContact CB-CD2 3.71Å; N275-F327 HydrophobicContact CB-CE2 3.92Å; N275-F327 HydrophobicContact CB-CG 3.95Å; N275-F327 HydrophobicContact CB-CZ 4.32Å; C278-F327 HydrophobicContact CB-CB 3.94Å; S279-F327 CarbonylContact O-C 3.56Å; S279-F327 VanDerWaalsContact O-CA 3.26Å; S279-F327 WeakPolarHBondContact O-CA 3.27Å; I280-F327 HydrophobicContact CD1-CE1 4.46Å; I280-F327 HydrophobicContact CG1-CD1 3.9Å; I280-F327 HydrophobicContact CG1-CE1 3.73Å; L325-F327 PolarHBondContact O-N 2.69Å; L325-F327 VanDerWaalsContact O-N 3.13Å; F327-W335 CarbonylContact O-C 3.48Å; F327-W335 WeakPolarHBondContact O-CA 3.37Å; F327-C336 HydrophobicContact CB-CB 3.85Å; F327-C336 PolarHBondContact O-N 2.98Å; F327-L345 HydrophobicContact CE2-CD1 4.3Å; F327-L345 HydrophobicContact CZ-CD1 3.75Å
328	M	98.5	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.6	176.1	-170.1	178.1	-65.3	0	0	111.5	I256 C278 S279 F284 I313 L314 V317 P330 K333 W335	I256-M328 HydrophobicContact CD1-CG 3.9Å; I256-M328 HydrophobicContact CD1-SD 3.25Å; I256-M328 WeakPolarHBondContact CD1-SD 3.44Å; C278-M328 WeakPolarHBondContact CB-O 3.38Å; S279-M328 PolarHBondContact N-O 3.48Å; S279-M328 PolarHBondContact O-N 3.36Å; F284-M328 HydrophobicContact CE1-CB 3.91Å; F284-M328 HydrophobicContact CZ-CB 3.79Å; I313-M328 HydrophobicContact CG2-SD 3.93Å; L314-M328 HydrophobicContact CD2-CE 3.93Å; V317-M328 HydrophobicContact CB-CE 4.48Å; V317-M328 HydrophobicContact CG1-CE 4.24Å; V317-M328 HydrophobicContact CG2-CE 4.15Å; M328-P330 WeakPolarHBondContact O-CD 3.39Å; M328-K333 HydrophobicContact SD-CB 4.29Å; M328-W335 HydrophobicContact CB-CE3 3.98Å; M328-W335 HydrophobicContact CB-CZ3 3.98Å; M328-W335 HydrophobicContact CE-CD2 4.03Å; M328-W335 HydrophobicContact CE-CE3 3.74Å; M328-W335 HydrophobicContact CE-CH2 3.19Å; M328-W335 HydrophobicContact CE-CZ2 3.5Å; M328-W335 HydrophobicContact CE-CZ3 3.31Å; M328-W335 HydrophobicContact CG-CE3 4.4Å
329	N	98.1	Very high	97.2	Very high	39 Å²	39	34.7 Å²	34.7	21%	0.209	19%	0.194	C	C	.	.			trans	-70.5	119.7	177.6	-172.4	-53.6	0	0	0	110.5	N331 T332 K333 S334	N329-N331 PolarHBondContact O-N 3.25Å; N329-N331 VanDerWaalsContact O-N 3.12Å; N329-N331 WeakPolarHBondContact OD1-CA 3.34Å; N329-N331 WeakPolarHBondContact OD1-CB 3.48Å; N329-N331 PolarHBondContact OD1-N 3.38Å; N329-T332 VanDerWaalsContact CB-OG1 3.31Å; N329-T332 WeakPolarHBondContact CB-OG1 3.26Å; N329-T332 VanDerWaalsContact CG-OG1 3.31Å; N329-T332 PolarHBondContact O-N 2.88Å; N329-T332 PolarHBondContact OD1-N 2.89Å; N329-K333 WeakPolarHBondContact O-CA 3.38Å; N329-K333 PolarHBondContact O-N 2.99Å; N329-S334 WeakPolarHBondContact CB-O 3.33Å; N329-S334 PolarHBondContact N-O 3.44Å
330	P	98	Very high	97.2	Very high	4 Å²	4	31.5 Å²	31.5	3%	0.026	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5	-175.6	31.3	-37.7	0	0	0	114	T252 S254 I256 M328	T252-P330 WeakPolarHBondContact CB-O 2.98Å; T252-P330 HydrophobicContact CG2-CB 4.04Å; T252-P330 PolarHBondContact OG1-O 3.36Å; S254-P330 VanDerWaalsContact CB-O 3.28Å; S254-P330 WeakPolarHBondContact CB-O 3.38Å; S254-P330 PolarHBondContact N-O 3.06Å; S254-P330 VanDerWaalsContact OG-C 3.29Å; S254-P330 PolarHBondContact OG-O 3.49Å; I256-P330 HydrophobicContact CB-CB 4.13Å; I256-P330 HydrophobicContact CG2-CB 4.22Å; I256-P330 WeakPolarHBondContact O-CB 3.17Å; M328-P330 WeakPolarHBondContact O-CD 3.39Å
331	N	97.1	Very high	97.3	Very high	83 Å²	83	29.7 Å²	29.7	44%	0.444	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-43.5	175.5	-54.5	-60.6	0	0	0	111.3	P253 N329	P253-N331 WeakPolarHBondContact CD-OD1 3.33Å; P253-N331 HydrophobicContact CG-CB 4.14Å; P253-N331 WeakPolarHBondContact CG-OD1 3.44Å; N329-N331 PolarHBondContact O-N 3.25Å; N329-N331 VanDerWaalsContact O-N 3.12Å; N329-N331 WeakPolarHBondContact OD1-CA 3.34Å; N329-N331 WeakPolarHBondContact OD1-CB 3.48Å; N329-N331 PolarHBondContact OD1-N 3.38Å
332	T	96.8	Very high	97.4	Very high	84 Å²	84	25.5 Å²	25.5	52%	0.515	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-14.1	-169.8	58.4	0	0	0	0	114.5	N329 S334	N329-T332 VanDerWaalsContact CB-OG1 3.31Å; N329-T332 WeakPolarHBondContact CB-OG1 3.26Å; N329-T332 VanDerWaalsContact CG-OG1 3.31Å; N329-T332 PolarHBondContact O-N 2.88Å; N329-T332 PolarHBondContact OD1-N 2.89Å; T332-S334 PolarHBondContact O-N 3.44Å; T332-S334 PolarHBondContact OG1-N 3.4Å; T332-S334 PolarHBondContact OG1-OG 3.23Å
333	K	96.9	Very high	97.2	Very high	99 Å²	99	24.7 Å²	24.7	43%	0.43	14%	0.139	S	C	.	.			trans	64.9	12.6	-172.3	-50.8	169.7	-73.1	177.1	0	114.3	S254 I256 I313 M328 N329	S254-K333 VanDerWaalsContact CB-CG 3.45Å; I256-K333 HydrophobicContact CD1-CG 4.43Å; I313-K333 HydrophobicContact CD1-CD 4.11Å; I313-K333 HydrophobicContact CD1-CG 4.41Å; I313-K333 HydrophobicContact CG1-CD 4Å; I313-K333 HydrophobicContact CG2-CB 4.16Å; I313-K333 HydrophobicContact CG2-CD 4.04Å; I313-K333 HydrophobicContact CG2-CG 4.08Å; M328-K333 HydrophobicContact SD-CB 4.29Å; N329-K333 WeakPolarHBondContact O-CA 3.38Å; N329-K333 PolarHBondContact O-N 2.99Å
334	S	96.8	Very high	96.8	Very high	59 Å²	59	25.6 Å²	25.6	41%	0.413	15%	0.147	S	C	.	.			trans	-83.6	142.5	174.8	60.4	0	0	0	0	110.5	N329 T332	N329-S334 WeakPolarHBondContact CB-O 3.33Å; N329-S334 PolarHBondContact N-O 3.44Å; T332-S334 PolarHBondContact O-N 3.44Å; T332-S334 PolarHBondContact OG1-N 3.4Å; T332-S334 PolarHBondContact OG1-OG 3.23Å
335	W	97.7	Very high	96.6	Very high	39 Å²	39	26.1 Å²	26.1	15%	0.148	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	149.7	171.1	-61.1	116	0	0	0	112.5	L281 L314 V317 D318 F324 L325 F327 M328	L281-W335 HydrophobicContact CD1-CH2 4.45Å; L314-W335 HydrophobicContact CD2-CH2 3.9Å; V317-W335 HydrophobicContact CG1-CZ2 3.6Å; V317-W335 HydrophobicContact CG2-CZ2 4.29Å; D318-W335 PolarHBondContact O-NE1 3.41Å; F324-W335 HydrophobicContact CB-CH2 4.01Å; F324-W335 HydrophobicContact CB-CZ2 4.35Å; F324-W335 AromaticContact CD1-CH2 3.71Å; F324-W335 HydrophobicContact CD1-CH2 3.71Å; F324-W335 AromaticContact CD1-CZ2 3.69Å; F324-W335 HydrophobicContact CD1-CZ2 3.69Å; F324-W335 HydrophobicContact CG-CH2 4.39Å; F324-W335 HydrophobicContact CG-CZ2 4.5Å; L325-W335 HydrophobicContact CB-CB 4.24Å; L325-W335 HydrophobicContact CB-CD2 3.84Å; L325-W335 HydrophobicContact CB-CE3 3.67Å; L325-W335 HydrophobicContact CB-CG 4.1Å; L325-W335 HydrophobicContact CB-CZ3 4.3Å; L325-W335 HydrophobicContact CD1-CB 3.61Å; L325-W335 HydrophobicContact CD1-CD2 4.44Å; L325-W335 HydrophobicContact CD1-CG 3.84Å; L325-W335 HydrophobicContact CG-CB 4.29Å; L325-W335 HydrophobicContact CG-CD2 4.18Å; L325-W335 HydrophobicContact CG-CE3 4.5Å; L325-W335 HydrophobicContact CG-CG 4.08Å; L325-W335 WeakPolarHBondContact O-CZ3 3.41Å; F327-W335 CarbonylContact O-C 3.48Å; F327-W335 WeakPolarHBondContact O-CA 3.37Å; M328-W335 HydrophobicContact CB-CE3 3.98Å; M328-W335 HydrophobicContact CB-CZ3 3.98Å; M328-W335 HydrophobicContact CE-CD2 4.03Å; M328-W335 HydrophobicContact CE-CE3 3.74Å; M328-W335 HydrophobicContact CE-CH2 3.19Å; M328-W335 HydrophobicContact CE-CZ2 3.5Å; M328-W335 HydrophobicContact CE-CZ3 3.31Å; M328-W335 HydrophobicContact CG-CE3 4.4Å
336	C	97	Very high	96.4	Very high	14 Å²	14	26 Å²	26	10%	0.095	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.4	174.4	-46.9	0	0	0	0	108.6	N275 C278 F327	N275-C336 WeakPolarHBondContact O-CB 3.49Å; C278-C336 HydrophobicContact CB-CB 3.64Å; C278-C336 WeakPolarHBondContact CB-SG 3.36Å; C278-C336 WeakPolarHBondContact SG-CB 3.08Å; C278-C336 CovalentContact SG-SG 2.02Å; C278-C336 PolarHBondContact SG-SG 2.85Å; F327-C336 HydrophobicContact CB-CB 3.85Å; F327-C336 PolarHBondContact O-N 2.98Å
337	G	94.5	Very high	96.4	Very high	25 Å²	25	26.4 Å²	26.4	26%	0.258	15%	0.151	S	C	.	.	S	Bend	trans	67	-166.1	-171.7	0	0	0	0	0	113.3	N275 Y400	N275-G337 VanDerWaalsContact ND2-CA 3.33Å; N275-G337 WeakPolarHBondContact ND2-CA 3.41Å; G337-Y400 WeakPolarHBondContact CA-OH 3.13Å
338	N	96	Very high	96.3	Very high	41 Å²	41	26.4 Å²	26.4	22%	0.219	15%	0.151	C	C	.	.	S	Bend	trans	-147.7	55.9	177.4	-164.4	1.7	0	0	0	109.2	Y398 Y400	N338-Y398 WeakPolarHBondContact OD1-CE1 3.44Å; N338-Y400 HydrophobicContact CB-CD1 3.55Å; N338-Y400 HydrophobicContact CB-CE1 3.6Å; N338-Y400 HydrophobicContact CB-CG 4.09Å; N338-Y400 PolarHBondContact O-N 2.98Å
339	E	97.3	Very high	96.3	Very high	13 Å²	13	26.4 Å²	26.4	6%	0.061	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.9	-174.8	-65.5	167.7	-145.6	0	0	108	R66 L325 N326 Y398 K399 Y400	R66-E339 IonicContact CZ-OE1 3.81Å; R66-E339 IonicContact CZ-OE2 3.6Å; R66-E339 IonicContact NH1-OE1 3.1Å; R66-E339 IonicContact NH2-OE1 2.88Å; R66-E339 PolarHBondContact NH2-OE1 3.22Å; R66-E339 IonicContact NH2-OE2 2.71Å; R66-E339 PolarHBondContact NH2-OE2 2.95Å; L325-E339 CarbonylContact C-O 3.6Å; L325-E339 VanDerWaalsContact CA-O 3.26Å; L325-E339 WeakPolarHBondContact CA-O 3.26Å; N326-E339 PolarHBondContact N-O 3.31Å; E339-Y398 CarbonylContact C-O 3.4Å; E339-Y398 VanDerWaalsContact CA-O 3.27Å; E339-Y398 WeakPolarHBondContact CA-O 3.37Å; E339-K399 HydrophobicContact CG-CB 4.46Å; E339-K399 HydrophobicContact CG-CD 4.45Å; E339-K399 HydrophobicContact CG-CG 4.04Å; E339-Y400 HydrophobicContact CG-CE2 4.29Å
340	A	97.8	Very high	96.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	154.6	179.2	0	0	0	0	0	110.3	L323 F324 L325 N326 Y398	L323-A340 HydrophobicContact CB-CB 4.09Å; L323-A340 HydrophobicContact CD1-CB 4.04Å; F324-A340 WeakPolarHBondContact O-CB 3.45Å; L325-A340 HydrophobicContact CD2-CB 4.13Å; N326-A340 WeakPolarHBondContact OD1-CA 3.28Å; A340-Y398 HydrophobicContact CB-CD1 4.3Å; A340-Y398 PolarHBondContact N-O 2.95Å; A340-Y398 WeakPolarHBondContact O-CA 3.18Å; A340-Y398 WeakPolarHBondContact O-CB 3.13Å; A340-Y398 PolarHBondContact O-N 2.91Å
341	G	96.5	Very high	96.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	14%	0.141	C	C	.	.			trans	175.3	179.6	175.3	0	0	0	0	0	113.8	Y350	G341-Y350 WeakPolarHBondContact O-CE2 3.29Å
342	L	97.3	Very high	96.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.12	C	C	.	.	S	Bend	trans	-106.1	33.9	173.2	-68.9	169	0	0	0	110.4	Y350 F378 L383 F384 V395 A411 F413 V414 M417	L342-Y350 HydrophobicContact CD2-CD2 3.54Å; L342-Y350 HydrophobicContact CD2-CE2 4.21Å; L342-Y350 HydrophobicContact CD2-CG 3.75Å; L342-F378 HydrophobicContact CD1-CD2 3.97Å; L342-F378 HydrophobicContact CD1-CE2 4.04Å; L342-F378 HydrophobicContact CD2-CD2 4.31Å; L342-F378 HydrophobicContact CD2-CE2 3.59Å; L342-F378 HydrophobicContact CD2-CZ 4.2Å; L342-F378 HydrophobicContact CG-CD2 4.07Å; L342-F378 HydrophobicContact CG-CE2 3.62Å; L342-F378 HydrophobicContact CG-CZ 4.08Å; L342-L383 HydrophobicContact CD1-CD2 4.31Å; L342-L383 HydrophobicContact CG-CD2 4.25Å; L342-F384 HydrophobicContact CD1-CE1 4.29Å; L342-F384 HydrophobicContact CD1-CZ 3.76Å; L342-V395 HydrophobicContact CB-CG1 4.07Å; L342-V395 HydrophobicContact CD1-CG1 4.07Å; L342-A411 WeakPolarHBondContact O-CB 3.41Å; L342-F413 WeakPolarHBondContact O-CE1 3.21Å; L342-V414 HydrophobicContact CB-CG2 3.7Å; L342-V414 HydrophobicContact CD1-CG1 4.12Å; L342-V414 HydrophobicContact CD1-CG2 4.02Å; L342-V414 HydrophobicContact CG-CG2 4.35Å; L342-M417 HydrophobicContact CD2-CE 4.01Å
343	S	93.1	Very high	96.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.007	10%	0.095	C	C	.	.	S	Bend	trans	-128.8	-163.5	177.5	-162.2	0	0	0	0	108.9	L345 G346 D347 N397 D408	S343-L345 PolarHBondContact O-N 3.02Å; S343-G346 PolarHBondContact O-N 2.93Å; S343-D347 VanDerWaalsContact O-CB 3.31Å; S343-D347 WeakPolarHBondContact O-CB 3.33Å; S343-D347 PolarHBondContact O-N 3.08Å; S343-N397 WeakPolarHBondContact CB-OD1 3.42Å; S343-D408 VanDerWaalsContact OG-CB 3.24Å; S343-D408 WeakPolarHBondContact OG-CB 3.33Å; S343-D408 PolarHBondContact OG-OD2 2.78Å
344	A	89.5	Confident	96.6	Very high	20 Å²	20	11.9 Å²	11.9	17%	0.165	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-44	138.4	-179.4	0	0	0	0	0	111.4	I68 G346 D347 L410	I68-A344 HydrophobicContact CD1-CB 4.31Å; A344-G346 VanDerWaalsContact C-N 3.31Å; A344-G346 PolarHBondContact O-N 3.34Å; A344-D347 PolarHBondContact N-OD2 3.46Å; A344-L410 HydrophobicContact CB-CD1 3.91Å
345	L	95	Very high	96.7	Very high	12 Å²	12	9.2 Å²	9.2	6%	0.063	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-11.9	-177.9	-46	167.5	0	0	0	116	I68 W273 I280 S282 N326 F327 S343	I68-L345 HydrophobicContact CD1-CD2 3.74Å; I68-L345 HydrophobicContact CD1-CG 4.4Å; I68-L345 HydrophobicContact CG1-CD2 4.04Å; W273-L345 HydrophobicContact CH2-CD2 3.9Å; W273-L345 HydrophobicContact CZ3-CD2 4.33Å; I280-L345 HydrophobicContact CD1-CD2 3.79Å; I280-L345 HydrophobicContact CG1-CD2 4.12Å; I280-L345 HydrophobicContact CG2-CB 3.79Å; I280-L345 HydrophobicContact CG2-CD2 3.68Å; I280-L345 HydrophobicContact CG2-CG 4.38Å; I280-L345 WeakPolarHBondContact CG2-O 3.46Å; S282-L345 PolarHBondContact N-O 3.06Å; S282-L345 VanDerWaalsContact OG-C 3.24Å; S282-L345 WeakPolarHBondContact OG-CA 3.5Å; S282-L345 PolarHBondContact OG-O 3.36Å; N326-L345 HydrophobicContact CB-CB 4.04Å; F327-L345 HydrophobicContact CE2-CD1 4.3Å; F327-L345 HydrophobicContact CZ-CD1 3.75Å; S343-L345 PolarHBondContact O-N 3.02Å
346	G	94.9	Very high	96.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137	-33.8	-179.2	0	0	0	0	0	115.7	S343 A344 S348 F349 Y350	S343-G346 PolarHBondContact O-N 2.93Å; A344-G346 VanDerWaalsContact C-N 3.31Å; A344-G346 PolarHBondContact O-N 3.34Å; G346-S348 PolarHBondContact O-N 3.26Å; G346-F349 WeakPolarHBondContact O-CB 3.35Å; G346-F349 PolarHBondContact O-N 2.94Å; G346-Y350 WeakPolarHBondContact O-CD2 3.31Å; G346-Y350 WeakPolarHBondContact O-CE2 3.37Å
347	D	96.2	Very high	96.8	Very high	18 Å²	18	9 Å²	9	10%	0.096	5%	0.053	C	C	.	.	H	α-helix	trans	-29.2	-75.5	178.7	45	17.4	0	0	0	116.6	S282 S343 A344 F349 Y350 E351 F413	S282-D347 WeakPolarHBondContact CB-OD1 3.41Å; S343-D347 VanDerWaalsContact O-CB 3.31Å; S343-D347 WeakPolarHBondContact O-CB 3.33Å; S343-D347 PolarHBondContact O-N 3.08Å; A344-D347 PolarHBondContact N-OD2 3.46Å; D347-F349 PolarHBondContact O-N 2.96Å; D347-Y350 PolarHBondContact O-N 2.97Å; D347-Y350 VanDerWaalsContact O-N 3.14Å; D347-E351 PolarHBondContact O-N 3.36Å; D347-F413 HydrophobicContact CB-CD1 4.47Å; D347-F413 HydrophobicContact CB-CE1 3.54Å; D347-F413 HydrophobicContact CB-CZ 3.81Å; D347-F413 WeakPolarHBondContact O-CZ 3.49Å
348	S	97.6	Very high	97	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.014	4%	0.044	C	C	.	.	H	α-helix	trans	-68.6	-14.1	-165.6	62.2	0	0	0	0	113.2	S282 T286 G346 E351 Y352 S565	S282-S348 WeakPolarHBondContact CB-OG 3.47Å; T286-S348 WeakPolarHBondContact CB-OG 3.23Å; T286-S348 WeakPolarHBondContact CG2-OG 3.3Å; T286-S348 WeakPolarHBondContact OG1-CB 3.42Å; T286-S348 PolarHBondContact OG1-O 3.23Å; T286-S348 PolarHBondContact OG1-OG 2.78Å; G346-S348 PolarHBondContact O-N 3.26Å; S348-E351 WeakPolarHBondContact O-CB 3.41Å; S348-Y352 WeakPolarHBondContact O-CB 3.47Å; S348-Y352 WeakPolarHBondContact O-CD1 3.46Å; S348-Y352 PolarHBondContact O-N 3.01Å; S348-S565 WeakPolarHBondContact CB-OG 3.48Å
349	F	98.6	Very high	97.1	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-67.3	-44.4	174.7	160.5	-108.3	0	0	0	111	L281 T286 R311 L314 F324 G346 D347 E351 Y352 L353	L281-F349 HydrophobicContact CD1-CD1 3.95Å; L281-F349 HydrophobicContact CD1-CD2 4.28Å; L281-F349 HydrophobicContact CD1-CE1 4.18Å; L281-F349 HydrophobicContact CD1-CE2 4.49Å; L281-F349 HydrophobicContact CD1-CG 3.98Å; L281-F349 HydrophobicContact CD1-CZ 4.43Å; L281-F349 HydrophobicContact CD2-CD1 3.8Å; L281-F349 HydrophobicContact CD2-CE1 4.3Å; L281-F349 HydrophobicContact CD2-CG 4.38Å; L281-F349 HydrophobicContact CG-CB 4.1Å; L281-F349 HydrophobicContact CG-CD1 3.9Å; L281-F349 HydrophobicContact CG-CG 3.98Å; T286-F349 WeakPolarHBondContact OG1-CA 3.13Å; T286-F349 PolarHBondContact OG1-N 3.18Å; T286-F349 VanDerWaalsContact OG1-N 3.1Å; R311-F349 VanDerWaalsContact NH1-CE2 3.3Å; L314-F349 HydrophobicContact CD1-CD2 4.27Å; L314-F349 HydrophobicContact CD1-CE2 3.47Å; L314-F349 VanDerWaalsContact CD1-CE2 3.47Å; L314-F349 HydrophobicContact CD1-CZ 3.95Å; F324-F349 HydrophobicContact CB-CE1 4.22Å; F324-F349 HydrophobicContact CD1-CE1 4.42Å; F324-F349 HydrophobicContact CD1-CZ 4.44Å; F324-F349 AromaticContact CD2-CE1 3.61Å; F324-F349 HydrophobicContact CD2-CE1 3.61Å; F324-F349 HydrophobicContact CD2-CZ 4.1Å; F324-F349 HydrophobicContact CE1-CZ 4.43Å; F324-F349 AromaticContact CE2-CE1 3.99Å; F324-F349 HydrophobicContact CE2-CE1 3.99Å; F324-F349 HydrophobicContact CE2-CZ 4.06Å; F324-F349 AromaticContact CG-CE1 3.84Å; F324-F349 HydrophobicContact CG-CE1 3.84Å; F324-F349 HydrophobicContact CG-CZ 4.28Å; F324-F349 HydrophobicContact CZ-CZ 4.22Å; G346-F349 WeakPolarHBondContact O-CB 3.35Å; G346-F349 PolarHBondContact O-N 2.94Å; D347-F349 PolarHBondContact O-N 2.96Å; F349-E351 VanDerWaalsContact C-N 3.32Å; F349-Y352 PolarHBondContact O-N 3.07Å; F349-L353 HydrophobicContact CD1-CD1 4.38Å; F349-L353 HydrophobicContact CE1-CD1 3.73Å; F349-L353 HydrophobicContact CE2-CD1 4.06Å; F349-L353 HydrophobicContact CE2-CD2 4.44Å; F349-L353 HydrophobicContact CE2-CG 4.1Å; F349-L353 HydrophobicContact CZ-CD1 3.56Å; F349-L353 HydrophobicContact CZ-CD2 4.5Å; F349-L353 HydrophobicContact CZ-CG 4.11Å; F349-L353 PolarHBondContact O-N 3.02Å
350	Y	98.7	Very high	97.1	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-69.9	-35.9	178.6	-58.3	-78.4	0	0	0	111.3	L281 F324 G341 L342 G346 D347 L353 L354 Y371 F378	L281-Y350 HydrophobicContact CD2-CE2 4.42Å; F324-Y350 HydrophobicContact CD2-CE1 4.1Å; F324-Y350 PolarHBondContact O-OH 3.22Å; G341-Y350 WeakPolarHBondContact O-CE2 3.29Å; L342-Y350 HydrophobicContact CD2-CD2 3.54Å; L342-Y350 HydrophobicContact CD2-CE2 4.21Å; L342-Y350 HydrophobicContact CD2-CG 3.75Å; G346-Y350 WeakPolarHBondContact O-CD2 3.31Å; G346-Y350 WeakPolarHBondContact O-CE2 3.37Å; D347-Y350 PolarHBondContact O-N 2.97Å; D347-Y350 VanDerWaalsContact O-N 3.14Å; Y350-L353 HydrophobicContact CD1-CD1 4.39Å; Y350-L353 WeakPolarHBondContact O-CB 3.42Å; Y350-L353 PolarHBondContact O-N 3.36Å; Y350-L354 PolarHBondContact O-N 3.11Å; Y350-Y371 WeakPolarHBondContact O-CD2 3.39Å; Y350-F378 HydrophobicContact CD1-CE2 4.01Å; Y350-F378 HydrophobicContact CD1-CZ 4.38Å; Y350-F378 HydrophobicContact CD2-CE2 4.37Å; Y350-F378 HydrophobicContact CD2-CZ 4.37Å; Y350-F378 AromaticContact CE1-CE2 3.74Å; Y350-F378 HydrophobicContact CE1-CE2 3.74Å; Y350-F378 AromaticContact CE1-CZ 3.71Å; Y350-F378 HydrophobicContact CE1-CZ 3.71Å; Y350-F378 HydrophobicContact CE2-CE2 4.11Å; Y350-F378 AromaticContact CE2-CZ 3.69Å; Y350-F378 HydrophobicContact CE2-CZ 3.69Å; Y350-F378 HydrophobicContact CG-CE2 4.31Å; Y350-F378 AromaticContact CZ-CE2 3.78Å; Y350-F378 AromaticContact CZ-CZ 3.3Å; Y350-F378 VanDerWaalsContact OH-CZ 3.29Å; Y350-F378 WeakPolarHBondContact OH-CZ 3.33Å
351	E	98.6	Very high	97.1	Very high	3 Å²	3	8.4 Å²	8.4	1%	0.014	4%	0.044	C	C	.	.	H	α-helix	trans	-56.5	-49.4	170.3	-164.6	-169.4	178.4	0	0	111.2	D347 S348 F349 L353 L354 K355 F413 M417 S565	D347-E351 PolarHBondContact O-N 3.36Å; S348-E351 WeakPolarHBondContact O-CB 3.41Å; F349-E351 VanDerWaalsContact C-N 3.32Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 2.99Å; E351-L354 PolarHBondContact O-N 3.49Å; E351-K355 HydrophobicContact CG-CD 3.84Å; E351-K355 HydrophobicContact CG-CG 4.23Å; E351-K355 WeakPolarHBondContact O-CB 3.21Å; E351-K355 WeakPolarHBondContact O-CG 3.47Å; E351-K355 PolarHBondContact O-N 3.17Å; E351-K355 WeakPolarHBondContact OE1-CE 3.43Å; E351-K355 IonicContact OE1-NZ 3.25Å; E351-K355 PolarHBondContact OE1-NZ 3.33Å; E351-F413 HydrophobicContact CB-CD2 4.47Å; E351-F413 HydrophobicContact CB-CE2 3.85Å; E351-F413 HydrophobicContact CG-CD2 4.31Å; E351-F413 HydrophobicContact CG-CE2 4.15Å; E351-M417 HydrophobicContact CB-SD 4.43Å; E351-S565 WeakPolarHBondContact OE2-CB 3.44Å; E351-S565 PolarHBondContact OE2-OG 3.4Å
352	Y	98.6	Very high	97.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-70	-28.6	-177.7	-87.8	34.8	0	0	0	113.1	T286 H288 M289 E290 S348 F349 E356 N564 S565	T286-Y352 HydrophobicContact CG2-CD1 3.66Å; T286-Y352 HydrophobicContact CG2-CD2 3.65Å; T286-Y352 HydrophobicContact CG2-CE1 3.41Å; T286-Y352 VanDerWaalsContact CG2-CE1 3.41Å; T286-Y352 HydrophobicContact CG2-CE2 3.38Å; T286-Y352 HydrophobicContact CG2-CG 3.78Å; H288-Y352 HydrophobicContact CB-CD2 4.34Å; M289-Y352 HydrophobicContact CB-CD2 4.15Å; M289-Y352 HydrophobicContact CB-CE2 3.85Å; M289-Y352 HydrophobicContact CG-CD1 4.49Å; M289-Y352 HydrophobicContact CG-CD2 3.71Å; M289-Y352 HydrophobicContact CG-CE2 3.87Å; M289-Y352 HydrophobicContact CG-CG 4.06Å; M289-Y352 HydrophobicContact SD-CD1 3.78Å; M289-Y352 HydrophobicContact SD-CD2 4.08Å; M289-Y352 HydrophobicContact SD-CE1 3.8Å; M289-Y352 HydrophobicContact SD-CE2 4.12Å; M289-Y352 HydrophobicContact SD-CG 3.92Å; E290-Y352 PolarHBondContact OE1-OH 2.96Å; E290-Y352 WeakPolarHBondContact OE2-CE2 3.49Å; S348-Y352 WeakPolarHBondContact O-CB 3.47Å; S348-Y352 WeakPolarHBondContact O-CD1 3.46Å; S348-Y352 PolarHBondContact O-N 3.01Å; F349-Y352 PolarHBondContact O-N 3.07Å; Y352-E356 WeakPolarHBondContact O-CB 3.43Å; Y352-E356 PolarHBondContact O-N 2.94Å; Y352-N564 HydrophobicContact CE1-CB 4.41Å; Y352-N564 WeakPolarHBondContact OH-CB 3.37Å; Y352-S565 PolarHBondContact OH-N 3.44Å
353	L	98.8	Very high	97.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.6	-49.5	169.8	-77.1	172.5	0	0	0	111.1	R311 F349 Y350 E351 A367 L370	R311-L353 VanDerWaalsContact CZ-CD2 3.43Å; F349-L353 HydrophobicContact CD1-CD1 4.38Å; F349-L353 HydrophobicContact CE1-CD1 3.73Å; F349-L353 HydrophobicContact CE2-CD1 4.06Å; F349-L353 HydrophobicContact CE2-CD2 4.44Å; F349-L353 HydrophobicContact CE2-CG 4.1Å; F349-L353 HydrophobicContact CZ-CD1 3.56Å; F349-L353 HydrophobicContact CZ-CD2 4.5Å; F349-L353 HydrophobicContact CZ-CG 4.11Å; F349-L353 PolarHBondContact O-N 3.02Å; Y350-L353 HydrophobicContact CD1-CD1 4.39Å; Y350-L353 WeakPolarHBondContact O-CB 3.42Å; Y350-L353 PolarHBondContact O-N 3.36Å; E351-L353 VanDerWaalsContact C-N 3.32Å; E351-L353 PolarHBondContact O-N 2.99Å; L353-A367 HydrophobicContact CD2-CB 4.02Å; L353-A367 VanDerWaalsContact O-CB 3.27Å; L353-A367 WeakPolarHBondContact O-CB 3.41Å; L353-L370 HydrophobicContact CD1-CB 3.86Å; L353-L370 HydrophobicContact CD2-CB 3.67Å; L353-L370 HydrophobicContact CD2-CD1 3.87Å; L353-L370 HydrophobicContact CD2-CG 4.42Å; L353-L370 HydrophobicContact CG-CB 4.43Å
354	L	98.8	Very high	97.3	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-49.5	176.9	172.7	63.7	0	0	0	111.5	Y350 E351 E356 W357 I358 Y371 M417 L420	Y350-L354 PolarHBondContact O-N 3.11Å; E351-L354 PolarHBondContact O-N 3.49Å; L354-E356 PolarHBondContact O-N 2.98Å; L354-W357 HydrophobicContact CD1-CE3 3.98Å; L354-W357 HydrophobicContact CD1-CZ3 4.26Å; L354-W357 WeakPolarHBondContact O-CB 3.16Å; L354-W357 PolarHBondContact O-N 2.92Å; L354-I358 HydrophobicContact CD1-CD1 4.13Å; L354-I358 HydrophobicContact CG-CD1 4.09Å; L354-I358 WeakPolarHBondContact O-CG1 3.45Å; L354-I358 PolarHBondContact O-N 3.32Å; L354-I358 VanDerWaalsContact O-N 3.11Å; L354-Y371 HydrophobicContact CB-CD2 3.94Å; L354-Y371 HydrophobicContact CB-CE2 3.93Å; L354-Y371 HydrophobicContact CB-CG 4.24Å; L354-Y371 HydrophobicContact CD1-CD1 4.48Å; L354-Y371 HydrophobicContact CD1-CE1 4.24Å; L354-Y371 HydrophobicContact CD2-CE2 4.39Å; L354-M417 HydrophobicContact CD2-CG 3.85Å; L354-M417 WeakPolarHBondContact CD2-O 3.25Å; L354-L420 HydrophobicContact CD2-CB 4.3Å; L354-L420 HydrophobicContact CD2-CD2 4.33Å; L354-L420 HydrophobicContact CD2-CG 4.38Å
355	K	98.7	Very high	97.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	11%	0.112	C	C	.	.	H	α-helix	trans	-71.9	-29.2	-170.3	-69.7	-165.3	179.3	178.4	0	112.8	M289 E351 I358 R359 E482 Y486 V562 F563	M289-K355 HydrophobicContact CE-CB 3.85Å; M289-K355 HydrophobicContact SD-CB 3.66Å; E351-K355 HydrophobicContact CG-CD 3.84Å; E351-K355 HydrophobicContact CG-CG 4.23Å; E351-K355 WeakPolarHBondContact O-CB 3.21Å; E351-K355 WeakPolarHBondContact O-CG 3.47Å; E351-K355 PolarHBondContact O-N 3.17Å; E351-K355 WeakPolarHBondContact OE1-CE 3.43Å; E351-K355 IonicContact OE1-NZ 3.25Å; E351-K355 PolarHBondContact OE1-NZ 3.33Å; K355-I358 PolarHBondContact O-N 2.91Å; K355-R359 WeakPolarHBondContact O-CB 3.27Å; K355-R359 PolarHBondContact O-N 2.54Å; K355-E482 IonicContact NZ-OE1 3.93Å; K355-E482 PolarHBondContact NZ-OE1 2.83Å; K355-Y486 WeakPolarHBondContact CE-OH 3.25Å; K355-Y486 PolarHBondContact NZ-OH 2.87Å; K355-V562 HydrophobicContact CB-CG2 3.65Å; K355-V562 HydrophobicContact CD-CG2 3.93Å; K355-V562 HydrophobicContact CG-CG2 3.85Å; K355-F563 WeakPolarHBondContact CD-O 3.44Å; K355-F563 WeakPolarHBondContact CE-O 3.19Å; K355-F563 PolarHBondContact NZ-O 2.97Å
356	E	98.5	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.2	-38	171.6	-175.3	63.8	-169.2	0	0	112.4	H288 M289 Y352 L354 I358 R359 T360	H288-E356 IonicContact CD2-OE1 3.48Å; M289-E356 HydrophobicContact CG-CB 4.44Å; M289-E356 WeakPolarHBondContact CG-OE2 3.5Å; Y352-E356 WeakPolarHBondContact O-CB 3.43Å; Y352-E356 PolarHBondContact O-N 2.94Å; L354-E356 PolarHBondContact O-N 2.98Å; E356-I358 VanDerWaalsContact C-N 3.28Å; E356-I358 PolarHBondContact O-N 3.36Å; E356-R359 PolarHBondContact O-N 2.92Å; E356-R359 IonicContact OE1-CZ 3.37Å; E356-R359 IonicContact OE1-NE 3.85Å; E356-R359 PolarHBondContact OE1-NE 2.85Å; E356-R359 IonicContact OE1-NH2 2.85Å; E356-R359 PolarHBondContact OE1-NH2 3.09Å; E356-R359 IonicContact OE2-CZ 2.76Å; E356-R359 IonicContact OE2-NE 2.71Å; E356-R359 PolarHBondContact OE2-NE 3.01Å; E356-R359 IonicContact OE2-NH2 3.44Å; E356-T360 HydrophobicContact CG-CG2 4.3Å; E356-T360 WeakPolarHBondContact O-CG2 2.97Å; E356-T360 PolarHBondContact O-N 2.93Å; E356-T360 PolarHBondContact O-OG1 2.68Å; E356-T360 WeakPolarHBondContact OE1-CG2 3.35Å
357	W	98.7	Very high	98	Very high	49 Å²	49	26.2 Å²	26.2	19%	0.186	13%	0.126	C	C	.	.	H	α-helix	trans	-57.1	-44.8	170.9	170.8	72.6	0	0	0	110.8	L354 T360 H362 D364 L368	L354-W357 HydrophobicContact CD1-CE3 3.98Å; L354-W357 HydrophobicContact CD1-CZ3 4.26Å; L354-W357 WeakPolarHBondContact O-CB 3.16Å; L354-W357 PolarHBondContact O-N 2.92Å; W357-T360 PolarHBondContact O-OG1 2.74Å; W357-T360 VanDerWaalsContact O-OG1 3.12Å; W357-H362 AromaticContact CD2-CD2 3.72Å; W357-H362 AromaticContact CE2-CD2 3.36Å; W357-H362 AromaticContact CE2-CG 3.92Å; W357-H362 AromaticContact CE3-CD2 3.82Å; W357-H362 AromaticContact CH2-CD2 3.3Å; W357-H362 WeakPolarHBondContact CH2-CD2 3.18Å; W357-H362 AromaticContact CH2-NE2 3.89Å; W357-H362 HydrophobicContact CZ2-CB 3.97Å; W357-H362 AromaticContact CZ2-CD2 3.18Å; W357-H362 WeakPolarHBondContact CZ2-CD2 3.26Å; W357-H362 AromaticContact CZ2-CG 3.83Å; W357-H362 AromaticContact CZ3-CD2 3.62Å; W357-H362 PolarHBondContact NE1-O 3.33Å; W357-H362 WeakPolarHBondContact O-CA 3.43Å; W357-H362 PolarHBondContact O-N 3.34Å; W357-D364 VanDerWaalsContact CD1-O 3.27Å; W357-L368 HydrophobicContact CB-CB 4.34Å; W357-L368 HydrophobicContact CD2-CB 4.19Å; W357-L368 HydrophobicContact CD2-CD1 3.96Å; W357-L368 HydrophobicContact CD2-CD2 4.26Å; W357-L368 HydrophobicContact CD2-CG 4.35Å; W357-L368 HydrophobicContact CE3-CD1 4.02Å; W357-L368 HydrophobicContact CG-CB 3.86Å; W357-L368 HydrophobicContact CG-CD1 4.45Å; W357-L368 HydrophobicContact CZ2-CD1 4.45Å; W357-L368 HydrophobicContact CZ2-CD2 3.83Å; W357-L368 HydrophobicContact CZ3-CD1 4.3Å
358	I	98.6	Very high	98.1	Very high	15 Å²	15	27 Å²	27	8%	0.077	13%	0.131	C	C	.	.	H	α-helix	trans	-63.3	-50	174.3	-64.1	170.9	0	0	0	111.1	L354 K355 E356 T360 D361 L420 V562 I572	L354-I358 HydrophobicContact CD1-CD1 4.13Å; L354-I358 HydrophobicContact CG-CD1 4.09Å; L354-I358 WeakPolarHBondContact O-CG1 3.45Å; L354-I358 PolarHBondContact O-N 3.32Å; L354-I358 VanDerWaalsContact O-N 3.11Å; K355-I358 PolarHBondContact O-N 2.91Å; E356-I358 VanDerWaalsContact C-N 3.28Å; E356-I358 PolarHBondContact O-N 3.36Å; I358-T360 PolarHBondContact O-N 2.87Å; I358-D361 PolarHBondContact O-N 3.35Å; I358-L420 HydrophobicContact CD1-CD1 4.23Å; I358-L420 HydrophobicContact CD1-CD2 3.71Å; I358-L420 HydrophobicContact CD1-CG 3.74Å; I358-V562 HydrophobicContact CG2-CB 4.25Å; I358-V562 HydrophobicContact CG2-CG2 4.34Å; I358-I572 HydrophobicContact CG2-CD1 3.89Å; I358-I572 HydrophobicContact CG2-CG1 4.34Å; I358-I572 WeakPolarHBondContact O-CG2 3.38Å
359	R	97.9	Very high	98.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.6	-37.7	-176.7	-160.2	-174.5	67.9	79.6	4.3	112.6	M289 K292 E296 K355 E356 D361 V562 I572 Q573	M289-R359 HydrophobicContact CE-CB 4.48Å; K292-R359 VanDerWaalsContact CB-NH2 3.35Å; E296-R359 IonicContact OE1-CZ 3.93Å; E296-R359 IonicContact OE1-NH1 3.61Å; E296-R359 PolarHBondContact OE1-NH1 3.41Å; E296-R359 VanDerWaalsContact OE1-NH1 3.12Å; E296-R359 IonicContact OE1-NH2 3.6Å; E296-R359 PolarHBondContact OE1-NH2 3.36Å; E296-R359 IonicContact OE2-CZ 3.45Å; E296-R359 IonicContact OE2-NH1 3.12Å; E296-R359 PolarHBondContact OE2-NH1 3.38Å; E296-R359 IonicContact OE2-NH2 2.85Å; K355-R359 WeakPolarHBondContact O-CB 3.27Å; K355-R359 PolarHBondContact O-N 2.54Å; E356-R359 PolarHBondContact O-N 2.92Å; E356-R359 IonicContact OE1-CZ 3.37Å; E356-R359 IonicContact OE1-NE 3.85Å; E356-R359 PolarHBondContact OE1-NE 2.85Å; E356-R359 IonicContact OE1-NH2 2.85Å; E356-R359 PolarHBondContact OE1-NH2 3.09Å; E356-R359 IonicContact OE2-CZ 2.76Å; E356-R359 IonicContact OE2-NE 2.71Å; E356-R359 PolarHBondContact OE2-NE 3.01Å; E356-R359 IonicContact OE2-NH2 3.44Å; R359-D361 PolarHBondContact O-N 3.27Å; R359-V562 HydrophobicContact CB-CG1 3.7Å; R359-V562 HydrophobicContact CG-CG1 3.67Å; R359-I572 CarbonylContact O-C 3.48Å; R359-I572 WeakPolarHBondContact O-CA 3.48Å; R359-Q573 PolarHBondContact O-N 3.35Å
360	T	97.3	Very high	98.2	Very high	11 Å²	11	32 Å²	32	7%	0.067	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	9.7	-179.5	58.1	0	0	0	0	113.6	E356 W357 I358 H362 K363 D364	E356-T360 HydrophobicContact CG-CG2 4.3Å; E356-T360 WeakPolarHBondContact O-CG2 2.97Å; E356-T360 PolarHBondContact O-N 2.93Å; E356-T360 PolarHBondContact O-OG1 2.68Å; E356-T360 WeakPolarHBondContact OE1-CG2 3.35Å; W357-T360 PolarHBondContact O-OG1 2.74Å; W357-T360 VanDerWaalsContact O-OG1 3.12Å; I358-T360 PolarHBondContact O-N 2.87Å; T360-H362 VanDerWaalsContact C-N 3.29Å; T360-K363 WeakPolarHBondContact O-CB 3.49Å; T360-K363 WeakPolarHBondContact O-CD 3.43Å; T360-K363 VanDerWaalsContact O-CG 3.24Å; T360-K363 WeakPolarHBondContact O-CG 3.28Å; T360-K363 PolarHBondContact O-N 2.78Å; T360-K363 PolarHBondContact OG1-N 2.78Å; T360-D364 HydrophobicContact CG2-CB 4.33Å; T360-D364 PolarHBondContact OG1-N 2.7Å
361	D	96.6	Very high	98.2	Very high	40 Å²	40	32.1 Å²	32.1	21%	0.214	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	48	-170.4	-165.7	25.2	0	0	0	110.8	I358 R359 K363 I572 Q573 K575	I358-D361 PolarHBondContact O-N 3.35Å; R359-D361 PolarHBondContact O-N 3.27Å; D361-K363 VanDerWaalsContact C-N 3.28Å; D361-K363 PolarHBondContact O-N 2.92Å; D361-I572 HydrophobicContact CB-CG2 4.04Å; D361-Q573 WeakPolarHBondContact CB-O 3.39Å; D361-K575 VanDerWaalsContact CG-CE 3.4Å; D361-K575 VanDerWaalsContact CG-NZ 3.29Å; D361-K575 WeakPolarHBondContact OD1-CE 3.23Å; D361-K575 IonicContact OD1-NZ 2.71Å; D361-K575 PolarHBondContact OD1-NZ 2.59Å; D361-K575 WeakPolarHBondContact OD2-CE 3.46Å; D361-K575 IonicContact OD2-NZ 3.03Å; D361-K575 PolarHBondContact OD2-NZ 3.21Å; D361-K575 VanDerWaalsContact OD2-NZ 3.08Å
362	H	97.6	Very high	98.1	Very high	89 Å²	89	35.1 Å²	35.1	41%	0.412	17%	0.17	S	C	.	.	S	Bend	trans	67.5	19.8	175.7	-44.4	100.6	0	0	0	115.1	W357 T360	W357-H362 AromaticContact CD2-CD2 3.72Å; W357-H362 AromaticContact CE2-CD2 3.36Å; W357-H362 AromaticContact CE2-CG 3.92Å; W357-H362 AromaticContact CE3-CD2 3.82Å; W357-H362 AromaticContact CH2-CD2 3.3Å; W357-H362 WeakPolarHBondContact CH2-CD2 3.18Å; W357-H362 AromaticContact CH2-NE2 3.89Å; W357-H362 HydrophobicContact CZ2-CB 3.97Å; W357-H362 AromaticContact CZ2-CD2 3.18Å; W357-H362 WeakPolarHBondContact CZ2-CD2 3.26Å; W357-H362 AromaticContact CZ2-CG 3.83Å; W357-H362 AromaticContact CZ3-CD2 3.62Å; W357-H362 PolarHBondContact NE1-O 3.33Å; W357-H362 WeakPolarHBondContact O-CA 3.43Å; W357-H362 PolarHBondContact O-N 3.34Å; T360-H362 VanDerWaalsContact C-N 3.29Å
363	K	97.3	Very high	98.1	Very high	126 Å²	126	36.8 Å²	36.8	55%	0.548	18%	0.182	S	C	.	.			trans	-82	-29.2	178.9	-65.3	175.5	-167.1	172.8	0	113.3	T360 D361 V365 N574	T360-K363 WeakPolarHBondContact O-CB 3.49Å; T360-K363 WeakPolarHBondContact O-CD 3.43Å; T360-K363 VanDerWaalsContact O-CG 3.24Å; T360-K363 WeakPolarHBondContact O-CG 3.28Å; T360-K363 PolarHBondContact O-N 2.78Å; T360-K363 PolarHBondContact OG1-N 2.78Å; D361-K363 VanDerWaalsContact C-N 3.28Å; D361-K363 PolarHBondContact O-N 2.92Å; K363-V365 PolarHBondContact O-N 3.32Å; K363-N574 PolarHBondContact NZ-ND2 2.71Å
364	D	97.6	Very high	98.1	Very high	33 Å²	33	36.9 Å²	36.9	18%	0.176	18%	0.183	C	C	.	.			trans	-79.6	69	176.7	-166.7	-10.4	0	0	0	111.6	W357 T360 K366 A367 L368	W357-D364 VanDerWaalsContact CD1-O 3.27Å; T360-D364 HydrophobicContact CG2-CB 4.33Å; T360-D364 PolarHBondContact OG1-N 2.7Å; D364-K366 PolarHBondContact O-N 3.34Å; D364-K366 PolarHBondContact OD1-N 3.35Å; D364-A367 HydrophobicContact CB-CB 4.2Å; D364-A367 VanDerWaalsContact CG-CB 3.4Å; D364-A367 PolarHBondContact O-N 2.71Å; D364-A367 WeakPolarHBondContact OD1-CB 3.32Å; D364-A367 PolarHBondContact OD1-N 3.2Å; D364-A367 WeakPolarHBondContact OD2-CB 3.42Å; D364-L368 PolarHBondContact O-N 3.44Å
365	V	97.9	Very high	98.1	Very high	77 Å²	77	36.9 Å²	36.9	47%	0.467	18%	0.183	S	C	.	.	H	α-helix	trans	-60.4	-29.9	179.8	179.8	0	0	0	0	111.4	K363 L368 E369	K363-V365 PolarHBondContact O-N 3.32Å; V365-L368 WeakPolarHBondContact O-CB 3.41Å; V365-L368 PolarHBondContact O-N 3Å; V365-E369 HydrophobicContact CG1-CG 4.47Å; V365-E369 WeakPolarHBondContact O-CG 3.32Å; V365-E369 PolarHBondContact O-N 2.86Å
366	K	97.8	Very high	98.1	Very high	85 Å²	85	42 Å²	42	37%	0.37	21%	0.206	S	C	.	.	H	α-helix	trans	-69.6	-40.4	-179.2	-175.7	58.5	68.3	-167.6	0	111.7	E315 D364 L368 E369 L370	E315-K366 HydrophobicContact CG-CD 3.93Å; E315-K366 HydrophobicContact CG-CG 3.84Å; E315-K366 VanDerWaalsContact OE1-CG 3.23Å; E315-K366 WeakPolarHBondContact OE1-CG 3.31Å; E315-K366 WeakPolarHBondContact OE2-CG 3.41Å; D364-K366 PolarHBondContact O-N 3.34Å; D364-K366 PolarHBondContact OD1-N 3.35Å; K366-L368 VanDerWaalsContact C-N 3.29Å; K366-L368 PolarHBondContact O-N 3.27Å; K366-E369 WeakPolarHBondContact CE-OE2 3.34Å; K366-E369 IonicContact NZ-OE2 3.93Å; K366-E369 PolarHBondContact NZ-OE2 3.15Å; K366-E369 PolarHBondContact O-N 3.47Å; K366-L370 WeakPolarHBondContact O-CG 3.44Å; K366-L370 PolarHBondContact O-N 3.39Å
367	A	98.3	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-41.3	172.6	0	0	0	0	0	111.7	L353 D364 L370 Y371	L353-A367 HydrophobicContact CD2-CB 4.02Å; L353-A367 VanDerWaalsContact O-CB 3.27Å; L353-A367 WeakPolarHBondContact O-CB 3.41Å; D364-A367 HydrophobicContact CB-CB 4.2Å; D364-A367 VanDerWaalsContact CG-CB 3.4Å; D364-A367 PolarHBondContact O-N 2.71Å; D364-A367 WeakPolarHBondContact OD1-CB 3.32Å; D364-A367 PolarHBondContact OD1-N 3.2Å; D364-A367 WeakPolarHBondContact OD2-CB 3.42Å; A367-L370 PolarHBondContact O-N 3.46Å; A367-Y371 WeakPolarHBondContact O-CB 3.36Å; A367-Y371 PolarHBondContact O-N 3.28Å
368	L	98.4	Very high	98	Very high	35 Å²	35	40.4 Å²	40.4	18%	0.183	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-42	174.1	-176.2	69.4	0	0	0	112.8	W357 D364 V365 K366 Y371 N372	W357-L368 HydrophobicContact CB-CB 4.34Å; W357-L368 HydrophobicContact CD2-CB 4.19Å; W357-L368 HydrophobicContact CD2-CD1 3.96Å; W357-L368 HydrophobicContact CD2-CD2 4.26Å; W357-L368 HydrophobicContact CD2-CG 4.35Å; W357-L368 HydrophobicContact CE3-CD1 4.02Å; W357-L368 HydrophobicContact CG-CB 3.86Å; W357-L368 HydrophobicContact CG-CD1 4.45Å; W357-L368 HydrophobicContact CZ2-CD1 4.45Å; W357-L368 HydrophobicContact CZ2-CD2 3.83Å; W357-L368 HydrophobicContact CZ3-CD1 4.3Å; D364-L368 PolarHBondContact O-N 3.44Å; V365-L368 WeakPolarHBondContact O-CB 3.41Å; V365-L368 PolarHBondContact O-N 3Å; K366-L368 VanDerWaalsContact C-N 3.29Å; K366-L368 PolarHBondContact O-N 3.27Å; L368-Y371 HydrophobicContact CD1-CD1 4.4Å; L368-Y371 PolarHBondContact O-N 3.37Å; L368-N372 WeakPolarHBondContact O-CB 3.34Å; L368-N372 PolarHBondContact O-N 3.49Å; L368-N372 PolarHBondContact O-ND2 2.57Å
369	E	98.3	Very high	97.9	Very high	94 Å²	94	42 Å²	42	44%	0.439	21%	0.211	S	C	.	.	H	α-helix	trans	-61.3	-43.5	176.2	-73.9	172.4	-177.3	0	0	112	V365 K366 S373	V365-E369 HydrophobicContact CG1-CG 4.47Å; V365-E369 WeakPolarHBondContact O-CG 3.32Å; V365-E369 PolarHBondContact O-N 2.86Å; K366-E369 WeakPolarHBondContact CE-OE2 3.34Å; K366-E369 IonicContact NZ-OE2 3.93Å; K366-E369 PolarHBondContact NZ-OE2 3.15Å; K366-E369 PolarHBondContact O-N 3.47Å; E369-S373 VanDerWaalsContact O-CB 3.3Å; E369-S373 WeakPolarHBondContact O-CB 3.44Å; E369-S373 PolarHBondContact O-N 3.43Å; E369-S373 PolarHBondContact O-OG 3.43Å
370	L	98.5	Very high	97.9	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.068	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-41.9	176.3	-71.1	-176.3	0	0	0	111.6	E315 F324 L353 K366 A367 S373 S374	E315-L370 HydrophobicContact CG-CD1 3.88Å; F324-L370 HydrophobicContact CE2-CD2 4.47Å; F324-L370 HydrophobicContact CZ-CD2 3.99Å; L353-L370 HydrophobicContact CD1-CB 3.86Å; L353-L370 HydrophobicContact CD2-CB 3.67Å; L353-L370 HydrophobicContact CD2-CD1 3.87Å; L353-L370 HydrophobicContact CD2-CG 4.42Å; L353-L370 HydrophobicContact CG-CB 4.43Å; K366-L370 WeakPolarHBondContact O-CG 3.44Å; K366-L370 PolarHBondContact O-N 3.39Å; A367-L370 PolarHBondContact O-N 3.46Å; L370-S373 PolarHBondContact O-OG 2.92Å; L370-S374 WeakPolarHBondContact O-CB 3.33Å; L370-S374 PolarHBondContact O-N 2.83Å; L370-S374 PolarHBondContact O-OG 3.02Å
371	Y	98.7	Very high	97.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-58.4	-57.2	174.6	174.4	-106.1	0	0	0	110.9	Y350 L354 A367 L368 S373 S374 L375 M417	Y350-Y371 WeakPolarHBondContact O-CD2 3.39Å; L354-Y371 HydrophobicContact CB-CD2 3.94Å; L354-Y371 HydrophobicContact CB-CE2 3.93Å; L354-Y371 HydrophobicContact CB-CG 4.24Å; L354-Y371 HydrophobicContact CD1-CD1 4.48Å; L354-Y371 HydrophobicContact CD1-CE1 4.24Å; L354-Y371 HydrophobicContact CD2-CE2 4.39Å; A367-Y371 WeakPolarHBondContact O-CB 3.36Å; A367-Y371 PolarHBondContact O-N 3.28Å; L368-Y371 HydrophobicContact CD1-CD1 4.4Å; L368-Y371 PolarHBondContact O-N 3.37Å; Y371-S373 PolarHBondContact O-N 3.32Å; Y371-S374 WeakPolarHBondContact O-CB 3.35Å; Y371-S374 PolarHBondContact O-N 3.25Å; Y371-S374 VanDerWaalsContact O-N 3.11Å; Y371-L375 HydrophobicContact CD1-CD1 4.2Å; Y371-L375 HydrophobicContact CE1-CD1 3.54Å; Y371-L375 HydrophobicContact CE1-CG 4.28Å; Y371-L375 HydrophobicContact CE2-CD1 4.18Å; Y371-L375 HydrophobicContact CE2-CD2 4.31Å; Y371-L375 HydrophobicContact CE2-CG 4.26Å; Y371-L375 WeakPolarHBondContact O-CG 3.34Å; Y371-L375 PolarHBondContact O-N 2.64Å; Y371-M417 HydrophobicContact CE2-CE 4.14Å; Y371-M417 HydrophobicContact CE2-CG 4Å; Y371-M417 HydrophobicContact CE2-SD 3.81Å; Y371-M417 PolarHBondContact OH-O 3.07Å
372	N	98.4	Very high	97.9	Very high	65 Å²	65	50.7 Å²	50.7	35%	0.348	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-45	-177.9	-72.6	-21.3	0	0	0	112.2	L368 S374 L375 E376	L368-N372 WeakPolarHBondContact O-CB 3.34Å; L368-N372 PolarHBondContact O-N 3.49Å; L368-N372 PolarHBondContact O-ND2 2.57Å; N372-S374 VanDerWaalsContact C-N 3.26Å; N372-S374 PolarHBondContact O-N 3.3Å; N372-L375 PolarHBondContact O-N 3.1Å; N372-E376 WeakPolarHBondContact O-CG 3.31Å; N372-E376 PolarHBondContact O-N 3.42Å
373	S	98.3	Very high	97.9	Very high	35 Å²	35	46.5 Å²	46.5	25%	0.245	24%	0.237	C	C	.	.	H	α-helix	trans	-66.1	-29.1	178.5	67.5	0	0	0	0	113.2	R319 E369 L370 Y371 S377	R319-S373 PolarHBondContact NH1-OG 3.31Å; R319-S373 PolarHBondContact NH2-OG 2.78Å; E369-S373 VanDerWaalsContact O-CB 3.3Å; E369-S373 WeakPolarHBondContact O-CB 3.44Å; E369-S373 PolarHBondContact O-N 3.43Å; E369-S373 PolarHBondContact O-OG 3.43Å; L370-S373 PolarHBondContact O-OG 2.92Å; Y371-S373 PolarHBondContact O-N 3.32Å; S373-S377 WeakPolarHBondContact O-CB 3.35Å; S373-S377 PolarHBondContact O-N 3.17Å; S373-S377 VanDerWaalsContact O-N 3.11Å; S373-S377 PolarHBondContact O-OG 3.4Å
374	S	98.4	Very high	97.9	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.014	22%	0.215	C	C	.	.	H	α-helix	trans	-70.1	-44.1	173.6	-58.7	0	0	0	0	111.2	F324 L370 Y371 N372 E376 S377 F378	F324-S374 WeakPolarHBondContact CE2-OG 3.26Å; L370-S374 WeakPolarHBondContact O-CB 3.33Å; L370-S374 PolarHBondContact O-N 2.83Å; L370-S374 PolarHBondContact O-OG 3.02Å; Y371-S374 WeakPolarHBondContact O-CB 3.35Å; Y371-S374 PolarHBondContact O-N 3.25Å; Y371-S374 VanDerWaalsContact O-N 3.11Å; N372-S374 VanDerWaalsContact C-N 3.26Å; N372-S374 PolarHBondContact O-N 3.3Å; S374-E376 PolarHBondContact O-N 3.22Å; S374-S377 WeakPolarHBondContact O-CB 2.93Å; S374-S377 PolarHBondContact O-N 2.95Å; S374-S377 VanDerWaalsContact O-N 3.14Å; S374-F378 VanDerWaalsContact O-CD2 3.25Å; S374-F378 WeakPolarHBondContact O-CD2 3.32Å; S374-F378 VanDerWaalsContact O-CG 3.28Å; S374-F378 WeakPolarHBondContact O-CG 3.47Å; S374-F378 PolarHBondContact O-N 2.81Å
375	L	98.4	Very high	97.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-58.9	-44.5	175.7	-70.3	-166.5	0	0	0	112.7	Y371 N372 S377 F378 L379 L418 W429	Y371-L375 HydrophobicContact CD1-CD1 4.2Å; Y371-L375 HydrophobicContact CE1-CD1 3.54Å; Y371-L375 HydrophobicContact CE1-CG 4.28Å; Y371-L375 HydrophobicContact CE2-CD1 4.18Å; Y371-L375 HydrophobicContact CE2-CD2 4.31Å; Y371-L375 HydrophobicContact CE2-CG 4.26Å; Y371-L375 WeakPolarHBondContact O-CG 3.34Å; Y371-L375 PolarHBondContact O-N 2.64Å; N372-L375 PolarHBondContact O-N 3.1Å; L375-S377 VanDerWaalsContact C-N 3.32Å; L375-S377 PolarHBondContact O-N 2.91Å; L375-F378 HydrophobicContact CD2-CD2 4.41Å; L375-F378 PolarHBondContact O-N 2.67Å; L375-L379 PolarHBondContact O-N 3.43Å; L375-L418 HydrophobicContact CD1-CD2 3.7Å; L375-L418 HydrophobicContact CD2-CD2 3.72Å; L375-L418 HydrophobicContact CG-CD2 4.39Å; L375-W429 HydrophobicContact CB-CH2 3.53Å; L375-W429 HydrophobicContact CB-CZ2 3.53Å; L375-W429 HydrophobicContact CB-CZ3 4.23Å; L375-W429 HydrophobicContact CD1-CD2 3.92Å; L375-W429 HydrophobicContact CD1-CE3 4.04Å; L375-W429 HydrophobicContact CD1-CG 4.49Å; L375-W429 HydrophobicContact CD1-CH2 4.17Å; L375-W429 HydrophobicContact CD1-CZ2 4.09Å; L375-W429 HydrophobicContact CD1-CZ3 4.16Å; L375-W429 HydrophobicContact CD2-CH2 4.47Å; L375-W429 HydrophobicContact CD2-CZ3 4.4Å; L375-W429 HydrophobicContact CG-CH2 4.28Å; L375-W429 HydrophobicContact CG-CZ2 4.42Å
376	E	98.1	Very high	97.6	Very high	109 Å²	109	42.1 Å²	42.1	51%	0.509	21%	0.211	S	C	.	.	H	α-helix	trans	-62.3	-39.8	174.5	-69.2	-56.6	143	0	0	112.1	N372 S374 L379 K380	N372-E376 WeakPolarHBondContact O-CG 3.31Å; N372-E376 PolarHBondContact O-N 3.42Å; S374-E376 PolarHBondContact O-N 3.22Å; E376-L379 PolarHBondContact O-N 2.85Å; E376-K380 WeakPolarHBondContact O-CB 3.48Å; E376-K380 PolarHBondContact O-N 2.82Å
377	S	98.2	Very high	97.5	Very high	15 Å²	15	38.2 Å²	38.2	11%	0.105	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-39.9	176.9	-58	0	0	0	0	111.5	G322 S373 S374 L375 K380 V381	G322-S377 WeakPolarHBondContact CA-OG 3.45Å; G322-S377 WeakPolarHBondContact O-CB 3.48Å; G322-S377 PolarHBondContact O-OG 3.14Å; S373-S377 WeakPolarHBondContact O-CB 3.35Å; S373-S377 PolarHBondContact O-N 3.17Å; S373-S377 VanDerWaalsContact O-N 3.11Å; S373-S377 PolarHBondContact O-OG 3.4Å; S374-S377 WeakPolarHBondContact O-CB 2.93Å; S374-S377 PolarHBondContact O-N 2.95Å; S374-S377 VanDerWaalsContact O-N 3.14Å; L375-S377 VanDerWaalsContact C-N 3.32Å; L375-S377 PolarHBondContact O-N 2.91Å; S377-K380 WeakPolarHBondContact O-CB 3.41Å; S377-K380 PolarHBondContact O-N 2.74Å; S377-V381 WeakPolarHBondContact O-CG2 3.2Å; S377-V381 PolarHBondContact O-N 3.1Å
378	F	98.2	Very high	97.1	Very high	1 Å²	1	42.4 Å²	42.4	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-40.9	174.6	-69.4	-36.6	0	0	0	113.2	L323 L342 Y350 S374 L375 G382 L383 F384	L323-F378 HydrophobicContact CD2-CD1 3.56Å; L323-F378 HydrophobicContact CD2-CE1 3.76Å; L342-F378 HydrophobicContact CD1-CD2 3.97Å; L342-F378 HydrophobicContact CD1-CE2 4.04Å; L342-F378 HydrophobicContact CD2-CD2 4.31Å; L342-F378 HydrophobicContact CD2-CE2 3.59Å; L342-F378 HydrophobicContact CD2-CZ 4.2Å; L342-F378 HydrophobicContact CG-CD2 4.07Å; L342-F378 HydrophobicContact CG-CE2 3.62Å; L342-F378 HydrophobicContact CG-CZ 4.08Å; Y350-F378 HydrophobicContact CD1-CE2 4.01Å; Y350-F378 HydrophobicContact CD1-CZ 4.38Å; Y350-F378 HydrophobicContact CD2-CE2 4.37Å; Y350-F378 HydrophobicContact CD2-CZ 4.37Å; Y350-F378 AromaticContact CE1-CE2 3.74Å; Y350-F378 HydrophobicContact CE1-CE2 3.74Å; Y350-F378 AromaticContact CE1-CZ 3.71Å; Y350-F378 HydrophobicContact CE1-CZ 3.71Å; Y350-F378 HydrophobicContact CE2-CE2 4.11Å; Y350-F378 AromaticContact CE2-CZ 3.69Å; Y350-F378 HydrophobicContact CE2-CZ 3.69Å; Y350-F378 HydrophobicContact CG-CE2 4.31Å; Y350-F378 AromaticContact CZ-CE2 3.78Å; Y350-F378 AromaticContact CZ-CZ 3.3Å; Y350-F378 VanDerWaalsContact OH-CZ 3.29Å; Y350-F378 WeakPolarHBondContact OH-CZ 3.33Å; S374-F378 VanDerWaalsContact O-CD2 3.25Å; S374-F378 WeakPolarHBondContact O-CD2 3.32Å; S374-F378 VanDerWaalsContact O-CG 3.28Å; S374-F378 WeakPolarHBondContact O-CG 3.47Å; S374-F378 PolarHBondContact O-N 2.81Å; L375-F378 HydrophobicContact CD2-CD2 4.41Å; L375-F378 PolarHBondContact O-N 2.67Å; F378-G382 PolarHBondContact O-N 2.6Å; F378-L383 HydrophobicContact CB-CB 3.93Å; F378-L383 HydrophobicContact CB-CD2 4.01Å; F378-L383 HydrophobicContact CD1-CB 4.36Å; F378-L383 HydrophobicContact CD1-CD2 3.43Å; F378-L383 VanDerWaalsContact CD1-CD2 3.43Å; F378-L383 HydrophobicContact CD1-CG 4.38Å; F378-L383 HydrophobicContact CD2-CD2 4.26Å; F378-L383 HydrophobicContact CE1-CD2 3.77Å; F378-L383 HydrophobicContact CG-CB 4.45Å; F378-L383 HydrophobicContact CG-CD2 3.66Å; F378-L383 HydrophobicContact CZ-CD2 4.29Å; F378-L383 VanDerWaalsContact O-CB 3.3Å; F378-L383 WeakPolarHBondContact O-CB 3.47Å; F378-L383 PolarHBondContact O-N 2.88Å; F378-F384 HydrophobicContact CB-CD2 4.16Å; F378-F384 HydrophobicContact CB-CE2 3.66Å
379	L	96.7	Very high	96.4	Very high	49 Å²	49	42.7 Å²	42.7	26%	0.257	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-46	170.9	-77.2	172.5	0	0	0	111.4	L375 E376 V381 G382 F384 W429	L375-L379 PolarHBondContact O-N 3.43Å; E376-L379 PolarHBondContact O-N 2.85Å; L379-V381 PolarHBondContact O-N 3.14Å; L379-G382 PolarHBondContact O-N 2.81Å; L379-G382 VanDerWaalsContact O-N 3.12Å; L379-F384 HydrophobicContact CD2-CB 4.05Å; L379-F384 HydrophobicContact CD2-CD2 3.69Å; L379-F384 HydrophobicContact CD2-CG 4.16Å; L379-F384 HydrophobicContact CG-CD2 3.98Å; L379-F384 HydrophobicContact CG-CE2 4.45Å; L379-W429 HydrophobicContact CD1-CH2 3.3Å; L379-W429 HydrophobicContact CD1-CZ2 3.37Å; L379-W429 HydrophobicContact CD1-CZ3 4.29Å; L379-W429 HydrophobicContact CD2-CH2 4.26Å; L379-W429 HydrophobicContact CG-CH2 3.55Å; L379-W429 HydrophobicContact CG-CZ2 4.14Å; L379-W429 HydrophobicContact CG-CZ3 4.4Å
380	K	97.1	Very high	96	Very high	174 Å²	174	44.4 Å²	44.4	76%	0.757	23%	0.23	S	C	*	.	H	α-helix	trans	-61.8	-40.2	-177.1	-177.5	-176.7	175.7	-174.4	0	112.9	E376 S377 G382	E376-K380 WeakPolarHBondContact O-CB 3.48Å; E376-K380 PolarHBondContact O-N 2.82Å; S377-K380 WeakPolarHBondContact O-CB 3.41Å; S377-K380 PolarHBondContact O-N 2.74Å; K380-G382 VanDerWaalsContact C-N 3.26Å; K380-G382 PolarHBondContact O-N 2.88Å
381	V	97.3	Very high	95.7	Very high	32 Å²	32	48.6 Å²	48.6	19%	0.194	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-2.7	179	-56.7	0	0	0	0	113.4	N321 L323 S377 L379 L383 Y398 I403	N321-V381 HydrophobicContact CB-CG1 3.96Å; L323-V381 HydrophobicContact CD1-CG1 4.15Å; L323-V381 HydrophobicContact CD1-CG2 4.27Å; L323-V381 HydrophobicContact CD2-CG1 4.36Å; L323-V381 HydrophobicContact CD2-CG2 4.08Å; L323-V381 HydrophobicContact CG-CG1 4.39Å; S377-V381 WeakPolarHBondContact O-CG2 3.2Å; S377-V381 PolarHBondContact O-N 3.1Å; L379-V381 PolarHBondContact O-N 3.14Å; V381-L383 HydrophobicContact CG2-CB 4.34Å; V381-Y398 HydrophobicContact CB-CD2 4.22Å; V381-Y398 HydrophobicContact CB-CE2 4.37Å; V381-Y398 HydrophobicContact CG2-CD2 4.21Å; V381-I403 HydrophobicContact CG2-CD1 4.5Å
382	G	96.8	Very high	95.7	Very high	28 Å²	28	49.9 Å²	49.9	29%	0.289	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.8	22.6	178.4	0	0	0	0	0	114.3	F378 L379 K380 F384 H385	F378-G382 PolarHBondContact O-N 2.6Å; L379-G382 PolarHBondContact O-N 2.81Å; L379-G382 VanDerWaalsContact O-N 3.12Å; K380-G382 VanDerWaalsContact C-N 3.26Å; K380-G382 PolarHBondContact O-N 2.88Å; G382-F384 VanDerWaalsContact C-N 3.26Å; G382-F384 PolarHBondContact O-N 3.28Å; G382-H385 PolarHBondContact O-ND1 3.06Å; G382-H385 VanDerWaalsContact O-ND1 3.14Å
383	L	97.2	Very high	95.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.246	C	C	.	.			trans	-60.3	-40.1	178.5	-154.3	76	0	0	0	111.1	L342 F378 V381 H385 V395 G396 I403	L342-L383 HydrophobicContact CD1-CD2 4.31Å; L342-L383 HydrophobicContact CG-CD2 4.25Å; F378-L383 HydrophobicContact CB-CB 3.93Å; F378-L383 HydrophobicContact CB-CD2 4.01Å; F378-L383 HydrophobicContact CD1-CB 4.36Å; F378-L383 HydrophobicContact CD1-CD2 3.43Å; F378-L383 VanDerWaalsContact CD1-CD2 3.43Å; F378-L383 HydrophobicContact CD1-CG 4.38Å; F378-L383 HydrophobicContact CD2-CD2 4.26Å; F378-L383 HydrophobicContact CE1-CD2 3.77Å; F378-L383 HydrophobicContact CG-CB 4.45Å; F378-L383 HydrophobicContact CG-CD2 3.66Å; F378-L383 HydrophobicContact CZ-CD2 4.29Å; F378-L383 VanDerWaalsContact O-CB 3.3Å; F378-L383 WeakPolarHBondContact O-CB 3.47Å; F378-L383 PolarHBondContact O-N 2.88Å; V381-L383 HydrophobicContact CG2-CB 4.34Å; L383-H385 PolarHBondContact O-ND1 3.37Å; L383-V395 HydrophobicContact CD2-CG1 3.77Å; L383-V395 HydrophobicContact CG-CG1 3.89Å; L383-V395 WeakPolarHBondContact O-CA 3.28Å; L383-G396 WeakPolarHBondContact CD1-O 3.23Å; L383-G396 WeakPolarHBondContact CG-O 3.46Å; L383-G396 PolarHBondContact O-N 3.42Å; L383-I403 HydrophobicContact CD1-CD1 4.04Å
384	F	97.7	Very high	95.6	Very high	18 Å²	18	45.8 Å²	45.8	8%	0.079	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	114.9	171.3	-59.1	-80.9	0	0	0	110.4	L342 F378 L379 G382 L393 V395 V414 L418 W429 I436	L342-F384 HydrophobicContact CD1-CE1 4.29Å; L342-F384 HydrophobicContact CD1-CZ 3.76Å; F378-F384 HydrophobicContact CB-CD2 4.16Å; F378-F384 HydrophobicContact CB-CE2 3.66Å; L379-F384 HydrophobicContact CD2-CB 4.05Å; L379-F384 HydrophobicContact CD2-CD2 3.69Å; L379-F384 HydrophobicContact CD2-CG 4.16Å; L379-F384 HydrophobicContact CG-CD2 3.98Å; L379-F384 HydrophobicContact CG-CE2 4.45Å; G382-F384 VanDerWaalsContact C-N 3.26Å; G382-F384 PolarHBondContact O-N 3.28Å; F384-L393 HydrophobicContact CB-CD1 4.28Å; F384-V395 HydrophobicContact CD1-CG2 3.77Å; F384-V395 HydrophobicContact CE1-CG2 3.67Å; F384-V414 HydrophobicContact CE1-CG1 4.23Å; F384-L418 HydrophobicContact CE1-CD1 3.97Å; F384-L418 HydrophobicContact CZ-CD1 4.27Å; F384-W429 HydrophobicContact CD2-CZ3 4.47Å; F384-W429 HydrophobicContact CE2-CH2 4.06Å; F384-W429 AromaticContact CE2-CZ3 3.85Å; F384-W429 HydrophobicContact CE2-CZ3 3.85Å; F384-W429 AromaticContact CZ-CZ3 3.94Å; F384-W429 HydrophobicContact CZ-CZ3 3.94Å; F384-I436 HydrophobicContact CD1-CD1 3.91Å; F384-I436 HydrophobicContact CE1-CD1 3.74Å
385	H	94	Very high	95.5	Very high	43 Å²	43	45.8 Å²	45.8	20%	0.199	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.9	-179.7	56.6	-67.4	0	0	0	111.7	G382 L383 Y394 I403	G382-H385 PolarHBondContact O-ND1 3.06Å; G382-H385 VanDerWaalsContact O-ND1 3.14Å; L383-H385 PolarHBondContact O-ND1 3.37Å; H385-Y394 AromaticContact CD2-CE1 3.79Å; H385-Y394 AromaticContact CD2-CE2 3.9Å; H385-Y394 AromaticContact CD2-CZ 3.36Å; H385-Y394 PolarHBondContact CD2-OH 3.2Å; H385-Y394 VanDerWaalsContact CD2-OH 3.23Å; H385-Y394 AromaticContact CE1-CE2 3.41Å; H385-Y394 VanDerWaalsContact CE1-CE2 3.41Å; H385-Y394 WeakPolarHBondContact CE1-CE2 3.43Å; H385-Y394 AromaticContact CE1-CZ 3.71Å; H385-Y394 PolarHBondContact N-O 3.06Å; H385-Y394 VanDerWaalsContact N-O 3.17Å; H385-Y394 AromaticContact NE2-CE1 3.92Å; H385-Y394 AromaticContact NE2-CE2 3.16Å; H385-Y394 WeakPolarHBondContact NE2-CE2 3.16Å; H385-Y394 AromaticContact NE2-CZ 3.04Å; H385-Y394 PolarHBondContact NE2-OH 2.9Å; H385-Y394 VanDerWaalsContact O-CD1 3.25Å; H385-Y394 WeakPolarHBondContact O-CD1 3.21Å; H385-Y394 PolarHBondContact O-N 2.85Å; H385-I403 WeakPolarHBondContact CE1-CG2 3.46Å
386	K	95.3	Very high	95.4	Very high	84 Å²	84	45.8 Å²	45.8	37%	0.365	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	139.4	-173.1	-64.6	-160.4	172.1	-155.5	0	112.1	N391 L392 L393 E435	K386-N391 WeakPolarHBondContact CD-OD1 3.31Å; K386-L392 CarbonylContact C-O 3.55Å; K386-L392 VanDerWaalsContact CA-O 3.22Å; K386-L392 WeakPolarHBondContact CA-O 3.42Å; K386-L393 HydrophobicContact CG-CB 4.46Å; K386-L393 HydrophobicContact CG-CD1 4.09Å; K386-E435 WeakPolarHBondContact CE-OE2 3.21Å; K386-E435 IonicContact NZ-OE2 2.81Å; K386-E435 PolarHBondContact NZ-OE2 3.42Å
387	S	94.7	Very high	95.4	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.021	22%	0.219	C	C	.	.			trans	-68.3	143.3	177.5	61.6	0	0	0	0	111.5	Q389 N391 L392 F458	S387-Q389 VanDerWaalsContact C-N 3.31Å; S387-Q389 WeakPolarHBondContact CB-O 3.1Å; S387-Q389 PolarHBondContact O-N 3.46Å; S387-Q389 PolarHBondContact OG-O 3.47Å; S387-N391 WeakPolarHBondContact O-CA 3.49Å; S387-N391 PolarHBondContact O-N 3.25Å; S387-L392 PolarHBondContact N-O 3.02Å; S387-L392 WeakPolarHBondContact OG-CB 3.24Å; S387-L392 PolarHBondContact OG-N 2.93Å; S387-F458 VanDerWaalsContact CB-CD1 3.5Å
388	P	90.2	Very high	95.3	Very high	87 Å²	87	42.3 Å²	42.3	57%	0.565	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-39.6	179.8	-18.8	29.2	0	0	0	112.1
389	Q	84.6	Confident	95.3	Very high	42 Å²	42	45.7 Å²	45.7	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	140.4	169.1	-47.5	86.1	62.9	0	0	109.9	S387 N391 T459 D460 S462	S387-Q389 VanDerWaalsContact C-N 3.31Å; S387-Q389 WeakPolarHBondContact CB-O 3.1Å; S387-Q389 PolarHBondContact O-N 3.46Å; S387-Q389 PolarHBondContact OG-O 3.47Å; Q389-N391 PolarHBondContact O-N 2.95Å; Q389-T459 PolarHBondContact NE2-O 3.27Å; Q389-T459 PolarHBondContact OE1-O 2.94Å; Q389-D460 PolarHBondContact NE2-O 2.85Å; Q389-D460 VanDerWaalsContact NE2-O 3.12Å; Q389-S462 VanDerWaalsContact OE1-C 3.31Å; Q389-S462 PolarHBondContact OE1-O 3.49Å; Q389-S462 VanDerWaalsContact OE1-O 3.11Å
390	H	88.6	Confident	95.2	Very high	129 Å²	129	49.7 Å²	49.7	60%	0.597	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	-3.8	172.2	-52	-71.2	0	0	0	117.2	L392 S463	H390-L392 VanDerWaalsContact C-N 3.27Å; H390-L392 HydrophobicContact CB-CD1 4.29Å; H390-L392 HydrophobicContact CB-CD2 4.37Å; H390-L392 HydrophobicContact CB-CG 3.95Å; H390-L392 PolarHBondContact O-N 3.33Å; H390-S463 PolarHBondContact CD2-OG 3.36Å
391	N	94.1	Very high	95.1	Very high	102 Å²	102	44 Å²	44	55%	0.545	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.2	174.8	-164.8	52.1	0	0	0	113.3	K386 S387 Q389	K386-N391 WeakPolarHBondContact CD-OD1 3.31Å; S387-N391 WeakPolarHBondContact O-CA 3.49Å; S387-N391 PolarHBondContact O-N 3.25Å; Q389-N391 PolarHBondContact O-N 2.95Å
392	L	96.9	Very high	95	Very high	28 Å²	28	45.3 Å²	45.3	15%	0.147	25%	0.249	C	C	.	.			trans	-78.7	128	-179.3	-59.3	173.5	0	0	0	109.6	K386 S387 H390 T439 R442 F458 S463 A464	K386-L392 CarbonylContact C-O 3.55Å; K386-L392 VanDerWaalsContact CA-O 3.22Å; K386-L392 WeakPolarHBondContact CA-O 3.42Å; S387-L392 PolarHBondContact N-O 3.02Å; S387-L392 WeakPolarHBondContact OG-CB 3.24Å; S387-L392 PolarHBondContact OG-N 2.93Å; H390-L392 VanDerWaalsContact C-N 3.27Å; H390-L392 HydrophobicContact CB-CD1 4.29Å; H390-L392 HydrophobicContact CB-CD2 4.37Å; H390-L392 HydrophobicContact CB-CG 3.95Å; H390-L392 PolarHBondContact O-N 3.33Å; L392-T439 HydrophobicContact CB-CG2 4.07Å; L392-T439 WeakPolarHBondContact CB-OG1 3.32Å; L392-R442 HydrophobicContact CD1-CB 4.33Å; L392-R442 HydrophobicContact CD1-CG 3.83Å; L392-F458 HydrophobicContact CB-CE1 4.33Å; L392-F458 HydrophobicContact CD1-CE1 4.13Å; L392-S463 WeakPolarHBondContact CD1-OG 3.39Å; L392-A464 HydrophobicContact CD1-CB 4.21Å
393	L	98.1	Very high	95	Very high	12 Å²	12	46 Å²	46	6%	0.063	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	123.2	173.9	-176.6	68.9	0	0	0	109.8	F384 K386 R432 E435 I436 T439	F384-L393 HydrophobicContact CB-CD1 4.28Å; K386-L393 HydrophobicContact CG-CB 4.46Å; K386-L393 HydrophobicContact CG-CD1 4.09Å; L393-R432 HydrophobicContact CD2-CB 3.94Å; L393-R432 HydrophobicContact CD2-CG 3.79Å; L393-E435 HydrophobicContact CB-CB 3.84Å; L393-E435 HydrophobicContact CD2-CB 3.9Å; L393-I436 HydrophobicContact CD2-CD1 4.41Å; L393-I436 HydrophobicContact CD2-CG1 4.02Å; L393-I436 HydrophobicContact CG-CG1 4.13Å; L393-T439 WeakPolarHBondContact O-CB 3.42Å; L393-T439 PolarHBondContact O-OG1 3.17Å
394	Y	97.5	Very high	94.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	169.2	176.3	68.8	-81.8	0	0	0	111.5	H385 N405 M407 F458	H385-Y394 AromaticContact CD2-CE1 3.79Å; H385-Y394 AromaticContact CD2-CE2 3.9Å; H385-Y394 AromaticContact CD2-CZ 3.36Å; H385-Y394 PolarHBondContact CD2-OH 3.2Å; H385-Y394 VanDerWaalsContact CD2-OH 3.23Å; H385-Y394 AromaticContact CE1-CE2 3.41Å; H385-Y394 VanDerWaalsContact CE1-CE2 3.41Å; H385-Y394 WeakPolarHBondContact CE1-CE2 3.43Å; H385-Y394 AromaticContact CE1-CZ 3.71Å; H385-Y394 PolarHBondContact N-O 3.06Å; H385-Y394 VanDerWaalsContact N-O 3.17Å; H385-Y394 AromaticContact NE2-CE1 3.92Å; H385-Y394 AromaticContact NE2-CE2 3.16Å; H385-Y394 WeakPolarHBondContact NE2-CE2 3.16Å; H385-Y394 AromaticContact NE2-CZ 3.04Å; H385-Y394 PolarHBondContact NE2-OH 2.9Å; H385-Y394 VanDerWaalsContact O-CD1 3.25Å; H385-Y394 WeakPolarHBondContact O-CD1 3.21Å; H385-Y394 PolarHBondContact O-N 2.85Å; Y394-N405 PolarHBondContact OH-OD1 2.97Å; Y394-M407 HydrophobicContact CD2-CB 4.47Å; Y394-F458 HydrophobicContact CD1-CB 4.29Å; Y394-F458 HydrophobicContact CD1-CD1 4.02Å; Y394-F458 AromaticContact CD1-CD2 3.7Å; Y394-F458 HydrophobicContact CD1-CD2 3.7Å; Y394-F458 HydrophobicContact CD1-CE1 4.2Å; Y394-F458 AromaticContact CD1-CE2 3.93Å; Y394-F458 HydrophobicContact CD1-CE2 3.93Å; Y394-F458 AromaticContact CD1-CG 3.74Å; Y394-F458 HydrophobicContact CD1-CG 3.74Å; Y394-F458 HydrophobicContact CD1-CZ 4.16Å; Y394-F458 AromaticContact CD2-CD2 3.38Å; Y394-F458 HydrophobicContact CD2-CD2 3.38Å; Y394-F458 AromaticContact CD2-CE2 3.51Å; Y394-F458 HydrophobicContact CD2-CE2 3.51Å; Y394-F458 HydrophobicContact CD2-CG 4.22Å; Y394-F458 HydrophobicContact CD2-CZ 4.41Å; Y394-F458 HydrophobicContact CE1-CB 3.66Å; Y394-F458 HydrophobicContact CE1-CD1 4.2Å; Y394-F458 AromaticContact CE1-CD2 3.81Å; Y394-F458 HydrophobicContact CE1-CD2 3.81Å; Y394-F458 HydrophobicContact CE1-CE2 4.49Å; Y394-F458 AromaticContact CE1-CG 3.63Å; Y394-F458 HydrophobicContact CE1-CG 3.63Å; Y394-F458 HydrophobicContact CE2-CB 4.22Å; Y394-F458 AromaticContact CE2-CD2 3.46Å; Y394-F458 HydrophobicContact CE2-CD2 3.46Å; Y394-F458 VanDerWaalsContact CE2-CD2 3.46Å; Y394-F458 HydrophobicContact CE2-CE2 4.1Å; Y394-F458 HydrophobicContact CE2-CG 4.09Å; Y394-F458 HydrophobicContact CG-CD1 4.45Å; Y394-F458 AromaticContact CG-CD2 3.47Å; Y394-F458 HydrophobicContact CG-CD2 3.47Å; Y394-F458 VanDerWaalsContact CG-CD2 3.47Å; Y394-F458 HydrophobicContact CG-CE1 4.35Å; Y394-F458 AromaticContact CG-CE2 3.38Å; Y394-F458 HydrophobicContact CG-CE2 3.38Å; Y394-F458 HydrophobicContact CG-CG 4.02Å; Y394-F458 AromaticContact CG-CZ 3.84Å; Y394-F458 HydrophobicContact CG-CZ 3.84Å; Y394-F458 AromaticContact CZ-CD2 3.65Å; Y394-F458 AromaticContact CZ-CG 3.77Å
395	V	97.1	Very high	94.8	Very high	3 Å²	3	50.3 Å²	50.3	2%	0.018	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	113.6	179.8	-170.3	0	0	0	0	108.4	L342 L383 F384 M407 V414 I436	L342-V395 HydrophobicContact CB-CG1 4.07Å; L342-V395 HydrophobicContact CD1-CG1 4.07Å; L383-V395 HydrophobicContact CD2-CG1 3.77Å; L383-V395 HydrophobicContact CG-CG1 3.89Å; L383-V395 WeakPolarHBondContact O-CA 3.28Å; F384-V395 HydrophobicContact CD1-CG2 3.77Å; F384-V395 HydrophobicContact CE1-CG2 3.67Å; V395-M407 HydrophobicContact CB-CE 4.45Å; V395-M407 HydrophobicContact CG2-CE 4.42Å; V395-M407 WeakPolarHBondContact O-CG 3.26Å; V395-V414 HydrophobicContact CG2-CG1 4.23Å; V395-I436 HydrophobicContact CG2-CD1 3.67Å; V395-I436 HydrophobicContact CG2-CG1 4.28Å
396	G	96	Very high	94.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.269	C	S	.	.			trans	-82.8	178.6	171.9	0	0	0	0	0	112.2	L383	L383-G396 WeakPolarHBondContact CD1-O 3.23Å; L383-G396 WeakPolarHBondContact CG-O 3.46Å; L383-G396 PolarHBondContact O-N 3.42Å
397	N	96.7	Very high	94.9	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.193	25%	0.251	C	S	.	.			trans	-105.8	135.6	170.3	-73.7	-47.9	0	0	0	109.8	S343 I403 S404	S343-N397 WeakPolarHBondContact CB-OD1 3.42Å; N397-I403 WeakPolarHBondContact O-CA 3.4Å; N397-S404 PolarHBondContact N-OG 2.99Å; N397-S404 PolarHBondContact O-N 3.44Å
398	Y	97.4	Very high	95	Very high	15 Å²	15	46.2 Å²	46.2	6%	0.059	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.2	176.1	176.5	-84	0	0	0	110	N321 L323 N338 E339 A340 V381 G401 A402 I403	N321-Y398 PolarHBondContact ND2-OH 3.3Å; L323-Y398 HydrophobicContact CD1-CD1 3.76Å; L323-Y398 HydrophobicContact CD1-CD2 3.93Å; L323-Y398 HydrophobicContact CD1-CE1 3.93Å; L323-Y398 HydrophobicContact CD1-CE2 4.09Å; L323-Y398 HydrophobicContact CD1-CG 3.78Å; N338-Y398 WeakPolarHBondContact OD1-CE1 3.44Å; E339-Y398 CarbonylContact C-O 3.4Å; E339-Y398 VanDerWaalsContact CA-O 3.27Å; E339-Y398 WeakPolarHBondContact CA-O 3.37Å; A340-Y398 HydrophobicContact CB-CD1 4.3Å; A340-Y398 PolarHBondContact N-O 2.95Å; A340-Y398 WeakPolarHBondContact O-CA 3.18Å; A340-Y398 WeakPolarHBondContact O-CB 3.13Å; A340-Y398 PolarHBondContact O-N 2.91Å; V381-Y398 HydrophobicContact CB-CD2 4.22Å; V381-Y398 HydrophobicContact CB-CE2 4.37Å; V381-Y398 HydrophobicContact CG2-CD2 4.21Å; Y398-G401 VanDerWaalsContact CZ-N 3.35Å; Y398-G401 WeakPolarHBondContact OH-CA 3.38Å; Y398-G401 PolarHBondContact OH-N 3.17Å; Y398-A402 CarbonylContact C-O 3.56Å; Y398-A402 WeakPolarHBondContact CA-O 3.29Å; Y398-I403 HydrophobicContact CD2-CD1 3.64Å; Y398-I403 HydrophobicContact CG-CD1 4.22Å
399	K	96.6	Very high	95.4	Very high	72 Å²	72	42.1 Å²	42.1	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	111	177.5	-178.3	166.6	-173.7	-173	0	110.8	D64 E339 G401 A402	D64-K399 IonicContact OD1-NZ 3.96Å; D64-K399 PolarHBondContact OD1-NZ 2.67Å; D64-K399 VanDerWaalsContact OD2-CD 3.23Å; D64-K399 WeakPolarHBondContact OD2-CD 3.41Å; D64-K399 WeakPolarHBondContact OD2-CE 3.3Å; D64-K399 IonicContact OD2-NZ 2.79Å; D64-K399 PolarHBondContact OD2-NZ 3.14Å; E339-K399 HydrophobicContact CG-CB 4.46Å; E339-K399 HydrophobicContact CG-CD 4.45Å; E339-K399 HydrophobicContact CG-CG 4.04Å; K399-G401 PolarHBondContact O-N 3.46Å; K399-G401 VanDerWaalsContact O-N 3.14Å; K399-A402 PolarHBondContact N-O 3.07Å; K399-A402 PolarHBondContact O-N 2.89Å
400	Y	95.4	Very high	95.9	Very high	134 Å²	134	41.6 Å²	41.6	53%	0.525	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.5	40.6	177.1	-63.7	-87.7	0	0	0	113.9	G337 N338 E339	G337-Y400 WeakPolarHBondContact CA-OH 3.13Å; N338-Y400 HydrophobicContact CB-CD1 3.55Å; N338-Y400 HydrophobicContact CB-CE1 3.6Å; N338-Y400 HydrophobicContact CB-CG 4.09Å; N338-Y400 PolarHBondContact O-N 2.98Å; E339-Y400 HydrophobicContact CG-CE2 4.29Å
401	G	94.4	Very high	96.4	Very high	54 Å²	54	35.5 Å²	35.5	56%	0.557	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.7	-5.3	178.9	0	0	0	0	0	115.4	Y398 K399	Y398-G401 VanDerWaalsContact CZ-N 3.35Å; Y398-G401 WeakPolarHBondContact OH-CA 3.38Å; Y398-G401 PolarHBondContact OH-N 3.17Å; K399-G401 PolarHBondContact O-N 3.46Å; K399-G401 VanDerWaalsContact O-N 3.14Å
402	A	96.5	Very high	96.6	Very high	60 Å²	60	30.6 Å²	30.6	50%	0.496	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	152.8	171.3	0	0	0	0	0	111.1	Y398 K399	Y398-A402 CarbonylContact C-O 3.56Å; Y398-A402 WeakPolarHBondContact CA-O 3.29Å; K399-A402 PolarHBondContact N-O 3.07Å; K399-A402 PolarHBondContact O-N 2.89Å
403	I	96.4	Very high	96.6	Very high	41 Å²	41	29.6 Å²	29.6	21%	0.21	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	135	171.7	-54.6	-58.8	0	0	0	108.4	V381 L383 H385 N397 Y398	V381-I403 HydrophobicContact CG2-CD1 4.5Å; L383-I403 HydrophobicContact CD1-CD1 4.04Å; H385-I403 WeakPolarHBondContact CE1-CG2 3.46Å; N397-I403 WeakPolarHBondContact O-CA 3.4Å; Y398-I403 HydrophobicContact CD2-CD1 3.64Å; Y398-I403 HydrophobicContact CG-CD1 4.22Å
404	S	95.2	Very high	96.7	Very high	20 Å²	20	29 Å²	29	14%	0.14	17%	0.165	C	C	.	.			trans	-71.6	144.9	175.7	66.5	0	0	0	0	112.1	N397 S406	N397-S404 PolarHBondContact N-OG 2.99Å; N397-S404 PolarHBondContact O-N 3.44Å; S404-S406 PolarHBondContact O-N 2.88Å; S404-S406 PolarHBondContact OG-O 2.92Å
405	N	95.1	Very high	96.7	Very high	89 Å²	89	29 Å²	29	48%	0.476	17%	0.165	S	C	.	.	S	Bend	trans	-88.6	37.6	171.8	-65	-34.3	0	0	0	111.4	Y394 S457 F458	Y394-N405 PolarHBondContact OH-OD1 2.97Å; N405-S457 WeakPolarHBondContact O-CA 3.32Å; N405-F458 PolarHBondContact O-N 3.23Å
406	S	95.6	Very high	96.8	Very high	21 Å²	21	28.8 Å²	28.8	15%	0.147	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.8	-178	62.8	0	0	0	0	110.2	S404 F456	S404-S406 PolarHBondContact O-N 2.88Å; S404-S406 PolarHBondContact OG-O 2.92Å; S406-F456 CarbonylContact C-O 3.48Å; S406-F456 VanDerWaalsContact CA-O 3.26Å; S406-F456 WeakPolarHBondContact CA-O 3.42Å
407	M	96.7	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	130.3	175.6	-175.3	175.4	176.9	0	0	108.2	Y394 V395 A411 I436 F456 F458	Y394-M407 HydrophobicContact CD2-CB 4.47Å; V395-M407 HydrophobicContact CB-CE 4.45Å; V395-M407 HydrophobicContact CG2-CE 4.42Å; V395-M407 WeakPolarHBondContact O-CG 3.26Å; M407-A411 HydrophobicContact CE-CB 3.57Å; M407-A411 WeakPolarHBondContact CE-O 3.42Å; M407-A411 HydrophobicContact CG-CB 3.84Å; M407-I436 HydrophobicContact CE-CG2 3.78Å; M407-F456 HydrophobicContact CB-CD2 4.22Å; M407-F456 HydrophobicContact CB-CE2 3.68Å; M407-F456 HydrophobicContact CB-CZ 3.96Å; M407-F456 HydrophobicContact CG-CE2 4.03Å; M407-F456 HydrophobicContact CG-CZ 3.89Å; M407-F456 PolarHBondContact N-O 2.87Å; M407-F456 WeakPolarHBondContact O-CD1 3.36Å; M407-F456 PolarHBondContact O-N 2.7Å; M407-F456 HydrophobicContact SD-CE2 4Å; M407-F456 HydrophobicContact SD-CZ 3.98Å; M407-F458 HydrophobicContact CB-CE2 3.93Å
408	D	96	Very high	97.1	Very high	24 Å²	24	27.3 Å²	27.3	13%	0.128	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	151.6	176.7	-50.9	-11.6	0	0	0	108.5	S343 L410 A411 E454 I455	S343-D408 VanDerWaalsContact OG-CB 3.24Å; S343-D408 WeakPolarHBondContact OG-CB 3.33Å; S343-D408 PolarHBondContact OG-OD2 2.78Å; D408-L410 PolarHBondContact O-N 3.03Å; D408-A411 WeakPolarHBondContact O-CB 3.39Å; D408-A411 PolarHBondContact O-N 3.1Å; D408-E454 CarbonylContact C-O 3.35Å; D408-E454 WeakPolarHBondContact CA-O 3.48Å; D408-I455 HydrophobicContact CB-CG1 4.26Å
409	H	97.7	Very high	97.1	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-54.9	-38.1	175.3	-170.3	-76.7	0	0	0	111.3	A411 C412 Y444 E454 E479 T480	H409-A411 PolarHBondContact O-N 3.46Å; H409-C412 WeakPolarHBondContact O-CB 3.23Å; H409-C412 PolarHBondContact O-N 3.36Å; H409-Y444 AromaticContact CD2-CE2 3.99Å; H409-Y444 AromaticContact NE2-CE2 3.41Å; H409-Y444 WeakPolarHBondContact NE2-CE2 3.45Å; H409-Y444 AromaticContact NE2-CZ 3.54Å; H409-Y444 PolarHBondContact NE2-OH 3.07Å; H409-E454 WeakPolarHBondContact CB-O 3.48Å; H409-E454 PolarHBondContact N-O 3.18Å; H409-E479 IonicContact CE1-OE2 2.67Å; H409-E479 PolarHBondContact CE1-OE2 3.2Å; H409-E479 IonicContact CG-OE2 2.75Å; H409-E479 IonicContact ND1-OE2 3.33Å; H409-E479 PolarHBondContact ND1-OE2 3.09Å; H409-T480 PolarHBondContact NE2-OG1 2.94Å; H409-T480 VanDerWaalsContact NE2-OG1 3.15Å
410	L	96.3	Very high	97.2	Very high	30 Å²	30	24.9 Å²	24.9	16%	0.157	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-51.8	-37.6	173.6	-82.1	167.9	0	0	0	112.4	A344 D408 C412 F413 E479	A344-L410 HydrophobicContact CB-CD1 3.91Å; D408-L410 PolarHBondContact O-N 3.03Å; L410-C412 PolarHBondContact O-N 3.06Å; L410-C412 VanDerWaalsContact O-N 3.12Å; L410-F413 WeakPolarHBondContact O-CD1 3.47Å; L410-E479 HydrophobicContact CD2-CG 4.36Å; L410-E479 WeakPolarHBondContact CD2-OE1 3.29Å; L410-E479 WeakPolarHBondContact O-CG 3.35Å
411	A	97.7	Very high	97.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-71.4	-5.4	179.9	0	0	0	0	0	113.5	L342 M407 D408 H409 F413 V414	L342-A411 WeakPolarHBondContact O-CB 3.41Å; M407-A411 HydrophobicContact CE-CB 3.57Å; M407-A411 WeakPolarHBondContact CE-O 3.42Å; M407-A411 HydrophobicContact CG-CB 3.84Å; D408-A411 WeakPolarHBondContact O-CB 3.39Å; D408-A411 PolarHBondContact O-N 3.1Å; H409-A411 PolarHBondContact O-N 3.46Å; A411-F413 PolarHBondContact O-N 2.98Å; A411-V414 VanDerWaalsContact O-CB 3.29Å; A411-V414 WeakPolarHBondContact O-CB 3.32Å; A411-V414 WeakPolarHBondContact O-CG2 3.35Å; A411-V414 PolarHBondContact O-N 2.81Å
412	C	98.6	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-67.8	-15.9	178.1	-74.1	0	0	0	0	113.8	H409 L410 V414 G415 C440 E479 T480 S483	H409-C412 WeakPolarHBondContact O-CB 3.23Å; H409-C412 PolarHBondContact O-N 3.36Å; L410-C412 PolarHBondContact O-N 3.06Å; L410-C412 VanDerWaalsContact O-N 3.12Å; C412-V414 PolarHBondContact O-N 3.01Å; C412-G415 PolarHBondContact O-N 3.44Å; C412-C440 WeakPolarHBondContact CA-SG 3.39Å; C412-C440 HydrophobicContact CB-CB 3.86Å; C412-C440 WeakPolarHBondContact CB-SG 3.49Å; C412-C440 WeakPolarHBondContact SG-CB 3.46Å; C412-C440 CovalentContact SG-SG 2.04Å; C412-C440 PolarHBondContact SG-SG 3.13Å; C412-E479 CarbonylContact C-O 3.44Å; C412-E479 HydrophobicContact CB-CB 4.06Å; C412-T480 WeakPolarHBondContact CB-OG1 3.5Å; C412-T480 PolarHBondContact SG-OG1 3.12Å; C412-S483 PolarHBondContact O-OG 3.49Å
413	F	98.5	Very high	97.4	Very high	7 Å²	7	19.5 Å²	19.5	3%	0.031	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-65.8	-24	174.7	87.1	-73.8	0	0	0	111.9	L342 D347 E351 L410 A411 G415 G416 M417 E479 E482	L342-F413 WeakPolarHBondContact O-CE1 3.21Å; D347-F413 HydrophobicContact CB-CD1 4.47Å; D347-F413 HydrophobicContact CB-CE1 3.54Å; D347-F413 HydrophobicContact CB-CZ 3.81Å; D347-F413 WeakPolarHBondContact O-CZ 3.49Å; E351-F413 HydrophobicContact CB-CD2 4.47Å; E351-F413 HydrophobicContact CB-CE2 3.85Å; E351-F413 HydrophobicContact CG-CD2 4.31Å; E351-F413 HydrophobicContact CG-CE2 4.15Å; L410-F413 WeakPolarHBondContact O-CD1 3.47Å; A411-F413 PolarHBondContact O-N 2.98Å; F413-G415 PolarHBondContact O-N 3.37Å; F413-G415 VanDerWaalsContact O-N 3.1Å; F413-G416 PolarHBondContact O-N 2.89Å; F413-M417 HydrophobicContact CD2-CB 4.14Å; F413-M417 HydrophobicContact CE2-CB 4.12Å; F413-M417 HydrophobicContact CE2-CE 4.28Å; F413-M417 HydrophobicContact CE2-CG 4.37Å; F413-M417 HydrophobicContact CE2-SD 3.6Å; F413-M417 HydrophobicContact CZ-CE 4.45Å; F413-M417 HydrophobicContact CZ-SD 4.17Å; F413-M417 PolarHBondContact O-N 3.43Å; F413-E479 HydrophobicContact CB-CB 4.03Å; F413-E479 HydrophobicContact CB-CG 4.19Å; F413-E482 WeakPolarHBondContact CB-OE2 3.27Å
414	V	98.8	Very high	97.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-56.8	-31.4	-178.8	176.5	0	0	0	0	111	L342 F384 V395 A411 C412 M417 L418 I436	L342-V414 HydrophobicContact CB-CG2 3.7Å; L342-V414 HydrophobicContact CD1-CG1 4.12Å; L342-V414 HydrophobicContact CD1-CG2 4.02Å; L342-V414 HydrophobicContact CG-CG2 4.35Å; F384-V414 HydrophobicContact CE1-CG1 4.23Å; V395-V414 HydrophobicContact CG2-CG1 4.23Å; A411-V414 VanDerWaalsContact O-CB 3.29Å; A411-V414 WeakPolarHBondContact O-CB 3.32Å; A411-V414 WeakPolarHBondContact O-CG2 3.35Å; A411-V414 PolarHBondContact O-N 2.81Å; C412-V414 PolarHBondContact O-N 3.01Å; V414-M417 HydrophobicContact CG1-CE 4.23Å; V414-M417 HydrophobicContact CG2-CE 4.39Å; V414-M417 PolarHBondContact O-N 3.03Å; V414-L418 HydrophobicContact CG1-CD1 3.64Å; V414-L418 HydrophobicContact CG1-CG 3.76Å; V414-L418 WeakPolarHBondContact O-CB 3.22Å; V414-L418 VanDerWaalsContact O-CG 3.25Å; V414-L418 WeakPolarHBondContact O-CG 3.03Å; V414-L418 PolarHBondContact O-N 3.38Å; V414-I436 HydrophobicContact CB-CG2 4.5Å; V414-I436 HydrophobicContact CG1-CD1 3.8Å
415	G	98.8	Very high	97.5	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54.5	-56.4	172.9	0	0	0	0	0	112.4	C412 F413 S419 G433 T437 S483	C412-G415 PolarHBondContact O-N 3.44Å; F413-G415 PolarHBondContact O-N 3.37Å; F413-G415 VanDerWaalsContact O-N 3.1Å; G415-S419 WeakPolarHBondContact O-CB 3.16Å; G415-S419 PolarHBondContact O-N 3.18Å; G415-S419 VanDerWaalsContact O-N 3.14Å; G415-S419 PolarHBondContact O-OG 3.07Å; G415-S419 VanDerWaalsContact O-OG 3.1Å; G415-G433 WeakPolarHBondContact CA-O 3.49Å; G415-G433 WeakPolarHBondContact O-CA 3.41Å; G415-T437 WeakPolarHBondContact CA-OG1 3.49Å; G415-S483 WeakPolarHBondContact CA-OG 3.37Å
416	G	98.7	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.5	-45.6	176.9	0	0	0	0	0	112.5	F413 S419 L420 S483	F413-G416 PolarHBondContact O-N 2.89Å; G416-S419 PolarHBondContact O-N 2.98Å; G416-L420 WeakPolarHBondContact O-CB 3.36Å; G416-L420 PolarHBondContact O-N 3.47Å; G416-S483 PolarHBondContact N-OG 3.5Å
417	M	98.7	Very high	97.7	Very high	5 Å²	5	28 Å²	28	3%	0.025	16%	0.159	C	C	.	.	H	α-helix	trans	-58.8	-51.1	179.4	-176.3	-171.3	64.8	0	0	112.1	L342 E351 L354 Y371 F413 V414 L420 G421	L342-M417 HydrophobicContact CD2-CE 4.01Å; E351-M417 HydrophobicContact CB-SD 4.43Å; L354-M417 HydrophobicContact CD2-CG 3.85Å; L354-M417 WeakPolarHBondContact CD2-O 3.25Å; Y371-M417 HydrophobicContact CE2-CE 4.14Å; Y371-M417 HydrophobicContact CE2-CG 4Å; Y371-M417 HydrophobicContact CE2-SD 3.81Å; Y371-M417 PolarHBondContact OH-O 3.07Å; F413-M417 HydrophobicContact CD2-CB 4.14Å; F413-M417 HydrophobicContact CE2-CB 4.12Å; F413-M417 HydrophobicContact CE2-CE 4.28Å; F413-M417 HydrophobicContact CE2-CG 4.37Å; F413-M417 HydrophobicContact CE2-SD 3.6Å; F413-M417 HydrophobicContact CZ-CE 4.45Å; F413-M417 HydrophobicContact CZ-SD 4.17Å; F413-M417 PolarHBondContact O-N 3.43Å; V414-M417 HydrophobicContact CG1-CE 4.23Å; V414-M417 HydrophobicContact CG2-CE 4.39Å; V414-M417 PolarHBondContact O-N 3.03Å; M417-L420 PolarHBondContact O-N 2.71Å; M417-G421 PolarHBondContact O-N 2.9Å
418	L	98.9	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.5	-41.6	-179.3	-67.9	-178	0	0	0	111.9	L375 F384 V414 L420 G421 A422 W429 R432 I436	L375-L418 HydrophobicContact CD1-CD2 3.7Å; L375-L418 HydrophobicContact CD2-CD2 3.72Å; L375-L418 HydrophobicContact CG-CD2 4.39Å; F384-L418 HydrophobicContact CE1-CD1 3.97Å; F384-L418 HydrophobicContact CZ-CD1 4.27Å; V414-L418 HydrophobicContact CG1-CD1 3.64Å; V414-L418 HydrophobicContact CG1-CG 3.76Å; V414-L418 WeakPolarHBondContact O-CB 3.22Å; V414-L418 VanDerWaalsContact O-CG 3.25Å; V414-L418 WeakPolarHBondContact O-CG 3.03Å; V414-L418 PolarHBondContact O-N 3.38Å; L418-L420 VanDerWaalsContact C-N 3.35Å; L418-G421 PolarHBondContact O-N 3.22Å; L418-A422 WeakPolarHBondContact O-CB 3.45Å; L418-A422 PolarHBondContact O-N 2.82Å; L418-W429 HydrophobicContact CD1-CE3 4.07Å; L418-W429 HydrophobicContact CD1-CZ3 4.35Å; L418-W429 HydrophobicContact CD2-CD2 4.47Å; L418-W429 HydrophobicContact CD2-CE3 3.65Å; L418-W429 HydrophobicContact CD2-CZ3 4.03Å; L418-W429 HydrophobicContact CG-CE3 4.4Å; L418-R432 HydrophobicContact CD1-CB 3.99Å; L418-I436 HydrophobicContact CD1-CD1 3.84Å
419	S	98.8	Very high	97.8	Very high	3 Å²	3	32 Å²	32	2%	0.021	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-34	177.6	-64.4	0	0	0	0	112.8	G415 G416 F430 L487 L490	G415-S419 WeakPolarHBondContact O-CB 3.16Å; G415-S419 PolarHBondContact O-N 3.18Å; G415-S419 VanDerWaalsContact O-N 3.14Å; G415-S419 PolarHBondContact O-OG 3.07Å; G415-S419 VanDerWaalsContact O-OG 3.1Å; G416-S419 PolarHBondContact O-N 2.98Å; S419-F430 WeakPolarHBondContact O-CD2 3.49Å; S419-F430 PolarHBondContact OG-O 3.03Å; S419-L487 VanDerWaalsContact OG-CD2 3.3Å; S419-L487 WeakPolarHBondContact OG-CD2 3.45Å; S419-L490 WeakPolarHBondContact O-CD1 3.36Å
420	L	98.4	Very high	97.9	Very high	33 Å²	33	32.4 Å²	32.4	17%	0.173	19%	0.185	C	C	.	.	H	α-helix	trans	-71	-37.6	175.7	-178	66.3	0	0	0	112.2	L354 I358 G416 M417 L418 Y486	L354-L420 HydrophobicContact CD2-CB 4.3Å; L354-L420 HydrophobicContact CD2-CD2 4.33Å; L354-L420 HydrophobicContact CD2-CG 4.38Å; I358-L420 HydrophobicContact CD1-CD1 4.23Å; I358-L420 HydrophobicContact CD1-CD2 3.71Å; I358-L420 HydrophobicContact CD1-CG 3.74Å; G416-L420 WeakPolarHBondContact O-CB 3.36Å; G416-L420 PolarHBondContact O-N 3.47Å; M417-L420 PolarHBondContact O-N 2.71Å; L418-L420 VanDerWaalsContact C-N 3.35Å; L420-Y486 HydrophobicContact CB-CD1 4.37Å; L420-Y486 HydrophobicContact CD1-CD1 4.04Å; L420-Y486 HydrophobicContact CD1-CE1 3.91Å; L420-Y486 HydrophobicContact CD2-CD1 4.29Å; L420-Y486 HydrophobicContact CD2-CE1 3.66Å; L420-Y486 HydrophobicContact CG-CD1 4.47Å; L420-Y486 HydrophobicContact CG-CE1 4.25Å
421	G	97.9	Very high	98	Very high	19 Å²	19	35.1 Å²	35.1	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-83.5	-5.8	-179	0	0	0	0	0	115.4	M417 L418	M417-G421 PolarHBondContact O-N 2.9Å; L418-G421 PolarHBondContact O-N 3.22Å
422	A	98.3	Very high	98	Very high	19 Å²	19	38 Å²	38	16%	0.157	21%	0.207	C	C	.	.	S	Bend	trans	-76.6	151.4	179.8	0	0	0	0	0	113.1	L418 D427 W429 F430	L418-A422 WeakPolarHBondContact O-CB 3.45Å; L418-A422 PolarHBondContact O-N 2.82Å; A422-D427 WeakPolarHBondContact CA-OD2 3.2Å; A422-D427 HydrophobicContact CB-CB 3.85Å; A422-W429 HydrophobicContact CB-CB 4.41Å; A422-F430 HydrophobicContact CB-CB 3.62Å; A422-F430 HydrophobicContact CB-CD2 4.06Å; A422-F430 HydrophobicContact CB-CG 4.36Å
423	S	94.6	Very high	98	Very high	97 Å²	97	38 Å²	38	68%	0.678	21%	0.207	S	C	*	.	S	Bend	trans	-69	-39.3	-179.6	67	0	0	0	0	113.3	D427	S423-D427 PolarHBondContact N-OD2 2.85Å; S423-D427 PolarHBondContact OG-OD2 2.99Å
424	D	96.4	Very high	98.1	Very high	79 Å²	79	38.7 Å²	38.7	42%	0.422	21%	0.212	S	C	.	.	S	Bend	trans	-162.7	-177.8	176.2	68.1	77.5	0	0	0	110.7	N426 D427 F430	D424-N426 PolarHBondContact O-N 3.43Å; D424-N426 WeakPolarHBondContact OD1-CA 3.3Å; D424-N426 VanDerWaalsContact OD1-CB 3.28Å; D424-N426 WeakPolarHBondContact OD1-CB 3.34Å; D424-N426 PolarHBondContact OD1-N 3.32Å; D424-N426 PolarHBondContact OD1-ND2 2.78Å; D424-D427 WeakPolarHBondContact O-CB 3.09Å; D424-D427 PolarHBondContact O-N 3.46Å; D424-D427 VanDerWaalsContact O-N 3.12Å; D424-F430 WeakPolarHBondContact O-CB 3.39Å
425	K	96.5	Very high	98.1	Very high	102 Å²	102	41.8 Å²	41.8	44%	0.443	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-20.8	-176.2	-63.2	180	-178.6	179	0	114.2	F430 Q431 L490	K425-F430 HydrophobicContact CB-CD1 4.29Å; K425-F430 HydrophobicContact CB-CE1 4.24Å; K425-F430 HydrophobicContact CG-CE1 4.12Å; K425-F430 HydrophobicContact CG-CE2 4.31Å; K425-F430 HydrophobicContact CG-CZ 3.99Å; K425-Q431 PolarHBondContact O-NE2 2.79Å; K425-L490 WeakPolarHBondContact CE-O 3.29Å; K425-L490 PolarHBondContact NZ-O 3.28Å
426	N	96.8	Very high	98	Very high	140 Å²	140	41.8 Å²	41.8	75%	0.749	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.3	178.6	-50.7	-66.9	0	0	0	112.6	D424	D424-N426 PolarHBondContact O-N 3.43Å; D424-N426 WeakPolarHBondContact OD1-CA 3.3Å; D424-N426 VanDerWaalsContact OD1-CB 3.28Å; D424-N426 WeakPolarHBondContact OD1-CB 3.34Å; D424-N426 PolarHBondContact OD1-N 3.32Å; D424-N426 PolarHBondContact OD1-ND2 2.78Å
427	D	98.2	Very high	98.1	Very high	28 Å²	28	41.8 Å²	41.8	15%	0.15	23%	0.226	C	C	.	.	S	Bend	trans	-58.5	130	173.5	-171.8	-34.1	0	0	0	109.3	A422 S423 D424 W429 F430 Q431	A422-D427 WeakPolarHBondContact CA-OD2 3.2Å; A422-D427 HydrophobicContact CB-CB 3.85Å; S423-D427 PolarHBondContact N-OD2 2.85Å; S423-D427 PolarHBondContact OG-OD2 2.99Å; D424-D427 WeakPolarHBondContact O-CB 3.09Å; D424-D427 PolarHBondContact O-N 3.46Å; D424-D427 VanDerWaalsContact O-N 3.12Å; D427-W429 PolarHBondContact O-N 3.34Å; D427-W429 VanDerWaalsContact O-N 3.13Å; D427-W429 WeakPolarHBondContact OD1-CB 3.4Å; D427-W429 PolarHBondContact OD1-N 3.19Å; D427-F430 HydrophobicContact CB-CB 4.19Å; D427-F430 WeakPolarHBondContact O-CA 3.07Å; D427-F430 VanDerWaalsContact O-CB 3.29Å; D427-F430 WeakPolarHBondContact O-CB 3.4Å; D427-F430 PolarHBondContact O-N 2.72Å; D427-Q431 PolarHBondContact O-N 2.8Å; D427-Q431 VanDerWaalsContact O-N 3.15Å
428	P	98	Very high	98	Very high	79 Å²	79	44.3 Å²	44.3	51%	0.513	24%	0.24	S	C	.	.	H	α-helix	trans	-52	-32	174.2	-28.4	36	0	0	0	113.9	Q431 R432	P428-Q431 PolarHBondContact O-N 3.16Å; P428-R432 WeakPolarHBondContact O-CG 3.15Å; P428-R432 PolarHBondContact O-N 3.31Å
429	W	98.1	Very high	98	Very high	29 Å²	29	44.4 Å²	44.4	11%	0.11	24%	0.24	C	C	.	.	H	α-helix	trans	-68.5	-38.2	174.9	-70.2	116.1	0	0	0	112.6	L375 L379 F384 L418 A422 D427 Q431 R432 G433	L375-W429 HydrophobicContact CB-CH2 3.53Å; L375-W429 HydrophobicContact CB-CZ2 3.53Å; L375-W429 HydrophobicContact CB-CZ3 4.23Å; L375-W429 HydrophobicContact CD1-CD2 3.92Å; L375-W429 HydrophobicContact CD1-CE3 4.04Å; L375-W429 HydrophobicContact CD1-CG 4.49Å; L375-W429 HydrophobicContact CD1-CH2 4.17Å; L375-W429 HydrophobicContact CD1-CZ2 4.09Å; L375-W429 HydrophobicContact CD1-CZ3 4.16Å; L375-W429 HydrophobicContact CD2-CH2 4.47Å; L375-W429 HydrophobicContact CD2-CZ3 4.4Å; L375-W429 HydrophobicContact CG-CH2 4.28Å; L375-W429 HydrophobicContact CG-CZ2 4.42Å; L379-W429 HydrophobicContact CD1-CH2 3.3Å; L379-W429 HydrophobicContact CD1-CZ2 3.37Å; L379-W429 HydrophobicContact CD1-CZ3 4.29Å; L379-W429 HydrophobicContact CD2-CH2 4.26Å; L379-W429 HydrophobicContact CG-CH2 3.55Å; L379-W429 HydrophobicContact CG-CZ2 4.14Å; L379-W429 HydrophobicContact CG-CZ3 4.4Å; F384-W429 HydrophobicContact CD2-CZ3 4.47Å; F384-W429 HydrophobicContact CE2-CH2 4.06Å; F384-W429 AromaticContact CE2-CZ3 3.85Å; F384-W429 HydrophobicContact CE2-CZ3 3.85Å; F384-W429 AromaticContact CZ-CZ3 3.94Å; F384-W429 HydrophobicContact CZ-CZ3 3.94Å; L418-W429 HydrophobicContact CD1-CE3 4.07Å; L418-W429 HydrophobicContact CD1-CZ3 4.35Å; L418-W429 HydrophobicContact CD2-CD2 4.47Å; L418-W429 HydrophobicContact CD2-CE3 3.65Å; L418-W429 HydrophobicContact CD2-CZ3 4.03Å; L418-W429 HydrophobicContact CG-CE3 4.4Å; A422-W429 HydrophobicContact CB-CB 4.41Å; D427-W429 PolarHBondContact O-N 3.34Å; D427-W429 VanDerWaalsContact O-N 3.13Å; D427-W429 WeakPolarHBondContact OD1-CB 3.4Å; D427-W429 PolarHBondContact OD1-N 3.19Å; W429-Q431 VanDerWaalsContact C-N 3.31Å; W429-Q431 PolarHBondContact O-N 2.86Å; W429-R432 PolarHBondContact O-N 3.41Å; W429-G433 PolarHBondContact O-N 2.85Å
430	F	98.8	Very high	98	Very high	10 Å²	10	44.2 Å²	44.2	4%	0.044	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-46.6	173.2	-167.5	-85.2	0	0	0	110.8	S419 A422 D424 K425 D427 G433 V434 L487 L490 T491	S419-F430 WeakPolarHBondContact O-CD2 3.49Å; S419-F430 PolarHBondContact OG-O 3.03Å; A422-F430 HydrophobicContact CB-CB 3.62Å; A422-F430 HydrophobicContact CB-CD2 4.06Å; A422-F430 HydrophobicContact CB-CG 4.36Å; D424-F430 WeakPolarHBondContact O-CB 3.39Å; K425-F430 HydrophobicContact CB-CD1 4.29Å; K425-F430 HydrophobicContact CB-CE1 4.24Å; K425-F430 HydrophobicContact CG-CE1 4.12Å; K425-F430 HydrophobicContact CG-CE2 4.31Å; K425-F430 HydrophobicContact CG-CZ 3.99Å; D427-F430 HydrophobicContact CB-CB 4.19Å; D427-F430 WeakPolarHBondContact O-CA 3.07Å; D427-F430 VanDerWaalsContact O-CB 3.29Å; D427-F430 WeakPolarHBondContact O-CB 3.4Å; D427-F430 PolarHBondContact O-N 2.72Å; F430-G433 PolarHBondContact O-N 2.98Å; F430-G433 VanDerWaalsContact O-N 3.17Å; F430-V434 HydrophobicContact CD1-CG2 4.07Å; F430-V434 HydrophobicContact CE1-CG2 3.83Å; F430-V434 PolarHBondContact O-N 2.7Å; F430-L487 HydrophobicContact CE1-CD2 4.28Å; F430-L487 HydrophobicContact CZ-CD2 4Å; F430-L490 HydrophobicContact CE2-CB 4.02Å; F430-L490 HydrophobicContact CE2-CD1 4.03Å; F430-L490 HydrophobicContact CZ-CB 4.2Å; F430-T491 HydrophobicContact CE1-CG2 3.95Å; F430-T491 HydrophobicContact CZ-CG2 3.59Å
431	Q	98.5	Very high	98	Very high	87 Å²	87	43.6 Å²	43.6	41%	0.407	24%	0.235	S	C	.	.	H	α-helix	trans	-64.7	-40.5	179.6	-64.7	-59.1	-46.1	0	0	112.2	K425 D427 P428 W429 G433 V434 E435	K425-Q431 PolarHBondContact O-NE2 2.79Å; D427-Q431 PolarHBondContact O-N 2.8Å; D427-Q431 VanDerWaalsContact O-N 3.15Å; P428-Q431 PolarHBondContact O-N 3.16Å; W429-Q431 VanDerWaalsContact C-N 3.31Å; W429-Q431 PolarHBondContact O-N 2.86Å; Q431-G433 VanDerWaalsContact C-N 3.3Å; Q431-G433 PolarHBondContact O-N 3.21Å; Q431-V434 WeakPolarHBondContact O-CB 3.45Å; Q431-V434 PolarHBondContact O-N 2.83Å; Q431-E435 WeakPolarHBondContact O-CG 3.41Å; Q431-E435 PolarHBondContact O-N 3.17Å
432	R	98.6	Very high	98	Very high	61 Å²	61	46.8 Å²	46.8	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-39.9	171.9	-73.1	-177	-175.2	101.2	-2.9	112.1	L393 L418 P428 W429 V434 E435 I436	L393-R432 HydrophobicContact CD2-CB 3.94Å; L393-R432 HydrophobicContact CD2-CG 3.79Å; L418-R432 HydrophobicContact CD1-CB 3.99Å; P428-R432 WeakPolarHBondContact O-CG 3.15Å; P428-R432 PolarHBondContact O-N 3.31Å; W429-R432 PolarHBondContact O-N 3.41Å; R432-V434 VanDerWaalsContact C-N 3.32Å; R432-V434 PolarHBondContact O-N 3.29Å; R432-E435 PolarHBondContact O-N 3.19Å; R432-I436 WeakPolarHBondContact O-CB 3.39Å; R432-I436 VanDerWaalsContact O-CG1 3.29Å; R432-I436 WeakPolarHBondContact O-CG1 3.24Å; R432-I436 PolarHBondContact O-N 2.88Å
433	G	98.8	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-41.3	174.6	0	0	0	0	0	112.7	G415 W429 F430 Q431 T437	G415-G433 WeakPolarHBondContact CA-O 3.49Å; G415-G433 WeakPolarHBondContact O-CA 3.41Å; W429-G433 PolarHBondContact O-N 2.85Å; F430-G433 PolarHBondContact O-N 2.98Å; F430-G433 VanDerWaalsContact O-N 3.17Å; Q431-G433 VanDerWaalsContact C-N 3.3Å; Q431-G433 PolarHBondContact O-N 3.21Å; G433-T437 WeakPolarHBondContact O-CB 3.1Å; G433-T437 PolarHBondContact O-N 3.01Å; G433-T437 PolarHBondContact O-OG1 3.04Å
434	V	98.8	Very high	98.2	Very high	21 Å²	21	41.2 Å²	41.2	13%	0.127	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-50.6	172.9	176.9	0	0	0	0	111.3	F430 Q431 R432 I436 T437 D438 L487	F430-V434 HydrophobicContact CD1-CG2 4.07Å; F430-V434 HydrophobicContact CE1-CG2 3.83Å; F430-V434 PolarHBondContact O-N 2.7Å; Q431-V434 WeakPolarHBondContact O-CB 3.45Å; Q431-V434 PolarHBondContact O-N 2.83Å; R432-V434 VanDerWaalsContact C-N 3.32Å; R432-V434 PolarHBondContact O-N 3.29Å; V434-I436 PolarHBondContact O-N 2.91Å; V434-T437 PolarHBondContact O-N 3.46Å; V434-D438 PolarHBondContact O-N 2.93Å; V434-L487 HydrophobicContact CG2-CD2 3.69Å
435	E	98.6	Very high	98.2	Very high	65 Å²	65	40.9 Å²	40.9	30%	0.304	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-38.2	-177.7	-70.8	-177.8	-89.7	0	0	112.8	K386 L393 Q431 R432 D438 T439	K386-E435 WeakPolarHBondContact CE-OE2 3.21Å; K386-E435 IonicContact NZ-OE2 2.81Å; K386-E435 PolarHBondContact NZ-OE2 3.42Å; L393-E435 HydrophobicContact CB-CB 3.84Å; L393-E435 HydrophobicContact CD2-CB 3.9Å; Q431-E435 WeakPolarHBondContact O-CG 3.41Å; Q431-E435 PolarHBondContact O-N 3.17Å; R432-E435 PolarHBondContact O-N 3.19Å; E435-D438 PolarHBondContact O-N 2.72Å; E435-T439 PolarHBondContact O-N 3.04Å; E435-T439 PolarHBondContact O-OG1 2.85Å
436	I	98.7	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.3	-42.1	175.1	-70.8	165.6	0	0	0	110.4	F384 L393 V395 M407 V414 L418 R432 V434 D438 T439 C440	F384-I436 HydrophobicContact CD1-CD1 3.91Å; F384-I436 HydrophobicContact CE1-CD1 3.74Å; L393-I436 HydrophobicContact CD2-CD1 4.41Å; L393-I436 HydrophobicContact CD2-CG1 4.02Å; L393-I436 HydrophobicContact CG-CG1 4.13Å; V395-I436 HydrophobicContact CG2-CD1 3.67Å; V395-I436 HydrophobicContact CG2-CG1 4.28Å; M407-I436 HydrophobicContact CE-CG2 3.78Å; V414-I436 HydrophobicContact CB-CG2 4.5Å; V414-I436 HydrophobicContact CG1-CD1 3.8Å; L418-I436 HydrophobicContact CD1-CD1 3.84Å; R432-I436 WeakPolarHBondContact O-CB 3.39Å; R432-I436 VanDerWaalsContact O-CG1 3.29Å; R432-I436 WeakPolarHBondContact O-CG1 3.24Å; R432-I436 PolarHBondContact O-N 2.88Å; V434-I436 PolarHBondContact O-N 2.91Å; I436-D438 VanDerWaalsContact C-N 3.32Å; I436-D438 PolarHBondContact O-N 3.1Å; I436-T439 WeakPolarHBondContact O-CA 3.14Å; I436-T439 WeakPolarHBondContact O-CB 3.27Å; I436-T439 PolarHBondContact O-N 2.84Å; I436-T439 VanDerWaalsContact O-N 3.1Å; I436-C440 PolarHBondContact O-N 3Å
437	T	98.8	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.4	-39.7	176.9	-57.9	0	0	0	0	111.8	G415 G433 V434 T439 C440 R441 Y484 L487 Y496	G415-T437 WeakPolarHBondContact CA-OG1 3.49Å; G433-T437 WeakPolarHBondContact O-CB 3.1Å; G433-T437 PolarHBondContact O-N 3.01Å; G433-T437 PolarHBondContact O-OG1 3.04Å; V434-T437 PolarHBondContact O-N 3.46Å; T437-T439 VanDerWaalsContact C-N 3.27Å; T437-T439 PolarHBondContact O-N 3.37Å; T437-C440 PolarHBondContact O-N 2.96Å; T437-R441 PolarHBondContact O-N 3.13Å; T437-Y484 HydrophobicContact CG2-CD1 3.47Å; T437-Y484 VanDerWaalsContact CG2-CD1 3.47Å; T437-Y484 HydrophobicContact CG2-CE1 3.51Å; T437-L487 HydrophobicContact CG2-CD1 3.68Å; T437-L487 WeakPolarHBondContact OG1-CD1 3.47Å; T437-Y496 HydrophobicContact CG2-CE1 4.14Å
438	D	98.5	Very high	98.2	Very high	59 Å²	59	30 Å²	30	32%	0.316	15%	0.148	S	C	.	.	H	α-helix	trans	-62.8	-35.9	174.2	-72.7	0.9	0	0	0	110.8	V434 E435 I436 R441 R442 K495 W499	V434-D438 PolarHBondContact O-N 2.93Å; E435-D438 PolarHBondContact O-N 2.72Å; I436-D438 VanDerWaalsContact C-N 3.32Å; I436-D438 PolarHBondContact O-N 3.1Å; D438-R441 WeakPolarHBondContact O-CB 3.45Å; D438-R441 PolarHBondContact O-N 3.46Å; D438-R442 PolarHBondContact O-N 2.85Å; D438-K495 IonicContact OD1-NZ 3.73Å; D438-K495 PolarHBondContact OD1-NZ 2.96Å; D438-K495 IonicContact OD2-NZ 3.93Å; D438-K495 PolarHBondContact OD2-NZ 2.78Å; D438-W499 WeakPolarHBondContact OD1-CH2 3.49Å
439	T	98.5	Very high	98.2	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.006	13%	0.125	C	C	.	.	H	α-helix	trans	-67.8	-42.5	174	-60.2	0	0	0	0	112.5	L392 L393 E435 I436 T437 R441 R442 S443 F456 F458	L392-T439 HydrophobicContact CB-CG2 4.07Å; L392-T439 WeakPolarHBondContact CB-OG1 3.32Å; L393-T439 WeakPolarHBondContact O-CB 3.42Å; L393-T439 PolarHBondContact O-OG1 3.17Å; E435-T439 PolarHBondContact O-N 3.04Å; E435-T439 PolarHBondContact O-OG1 2.85Å; I436-T439 WeakPolarHBondContact O-CA 3.14Å; I436-T439 WeakPolarHBondContact O-CB 3.27Å; I436-T439 PolarHBondContact O-N 2.84Å; I436-T439 VanDerWaalsContact O-N 3.1Å; T437-T439 VanDerWaalsContact C-N 3.27Å; T437-T439 PolarHBondContact O-N 3.37Å; T439-R441 VanDerWaalsContact C-N 3.32Å; T439-R441 PolarHBondContact O-N 3.05Å; T439-R442 WeakPolarHBondContact O-CB 3.38Å; T439-R442 PolarHBondContact O-N 3.34Å; T439-R442 VanDerWaalsContact O-N 3.09Å; T439-S443 PolarHBondContact O-N 3Å; T439-F456 HydrophobicContact CG2-CE2 4.34Å; T439-F458 HydrophobicContact CG2-CE1 3.79Å; T439-F458 HydrophobicContact CG2-CZ 3.5Å; T439-F458 VanDerWaalsContact CG2-CZ 3.5Å
440	C	98.7	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-39.1	172.2	-68.7	0	0	0	0	111.6	C412 I436 T437 R442 S443 Y444 T480	C412-C440 WeakPolarHBondContact CA-SG 3.39Å; C412-C440 HydrophobicContact CB-CB 3.86Å; C412-C440 WeakPolarHBondContact CB-SG 3.49Å; C412-C440 WeakPolarHBondContact SG-CB 3.46Å; C412-C440 CovalentContact SG-SG 2.04Å; C412-C440 PolarHBondContact SG-SG 3.13Å; I436-C440 PolarHBondContact O-N 3Å; T437-C440 PolarHBondContact O-N 2.96Å; C440-R442 VanDerWaalsContact C-N 3.27Å; C440-R442 PolarHBondContact O-N 3.45Å; C440-S443 PolarHBondContact O-N 3.3Å; C440-S443 PolarHBondContact O-OG 3.14Å; C440-Y444 WeakPolarHBondContact O-CD2 3.15Å; C440-Y444 PolarHBondContact O-N 3.06Å; C440-T480 HydrophobicContact CB-CG2 4.11Å
441	R	98.4	Very high	98.2	Very high	20 Å²	20	25.2 Å²	25.2	8%	0.075	13%	0.125	C	C	.	.	H	α-helix	trans	-59.9	-40.1	171.5	176.1	60.2	-156.8	-162.6	-3.4	111.9	T437 D438 T439 S443 Y444 D445 Y484 W499 D502	T437-R441 PolarHBondContact O-N 3.13Å; D438-R441 WeakPolarHBondContact O-CB 3.45Å; D438-R441 PolarHBondContact O-N 3.46Å; T439-R441 VanDerWaalsContact C-N 3.32Å; T439-R441 PolarHBondContact O-N 3.05Å; R441-S443 VanDerWaalsContact C-N 3.27Å; R441-S443 PolarHBondContact O-N 3.47Å; R441-Y444 WeakPolarHBondContact O-CB 3.46Å; R441-Y444 PolarHBondContact O-N 2.82Å; R441-Y444 VanDerWaalsContact O-N 3.16Å; R441-D445 IonicContact CZ-OD1 3.27Å; R441-D445 VanDerWaalsContact NE-CG 3.31Å; R441-D445 IonicContact NE-OD1 3.7Å; R441-D445 PolarHBondContact NE-OD1 2.96Å; R441-D445 IonicContact NE-OD2 3.24Å; R441-D445 PolarHBondContact NE-OD2 3Å; R441-D445 IonicContact NH2-OD1 2.61Å; R441-D445 PolarHBondContact NH2-OD1 3.43Å; R441-D445 PolarHBondContact O-N 3.41Å; R441-Y484 WeakPolarHBondContact CA-OH 3.2Å; R441-Y484 HydrophobicContact CB-CE1 4.49Å; R441-Y484 WeakPolarHBondContact CB-OH 3.16Å; R441-Y484 VanDerWaalsContact CD-OH 3.23Å; R441-Y484 WeakPolarHBondContact CD-OH 3.47Å; R441-W499 HydrophobicContact CB-CD2 4.3Å; R441-W499 HydrophobicContact CB-CE3 4.01Å; R441-W499 HydrophobicContact CB-CH2 4.14Å; R441-W499 HydrophobicContact CB-CZ2 4.45Å; R441-W499 HydrophobicContact CB-CZ3 3.92Å; R441-W499 HydrophobicContact CG-CD2 3.78Å; R441-W499 HydrophobicContact CG-CE3 4.02Å; R441-W499 HydrophobicContact CG-CG 4.24Å; R441-W499 HydrophobicContact CG-CH2 4.12Å; R441-W499 HydrophobicContact CG-CZ2 3.92Å; R441-W499 HydrophobicContact CG-CZ3 4.18Å; R441-W499 PolarHBondContact NH1-O 3.09Å; R441-D502 IonicContact CZ-OD2 2.71Å; R441-D502 IonicContact NH1-OD2 3.49Å; R441-D502 PolarHBondContact NH1-OD2 3.25Å; R441-D502 IonicContact NH2-OD2 2.81Å; R441-D502 PolarHBondContact NH2-OD2 2.9Å
442	R	97.8	Very high	98.2	Very high	85 Å²	85	21 Å²	21	32%	0.321	11%	0.106	S	C	.	.	H	α-helix	trans	-62	-33.4	179.2	-177.8	58.8	176	162.3	2.2	112.6	L392 D438 T439 C440 Y444 D445 S446 A464	L392-R442 HydrophobicContact CD1-CB 4.33Å; L392-R442 HydrophobicContact CD1-CG 3.83Å; D438-R442 PolarHBondContact O-N 2.85Å; T439-R442 WeakPolarHBondContact O-CB 3.38Å; T439-R442 PolarHBondContact O-N 3.34Å; T439-R442 VanDerWaalsContact O-N 3.09Å; C440-R442 VanDerWaalsContact C-N 3.27Å; C440-R442 PolarHBondContact O-N 3.45Å; R442-Y444 VanDerWaalsContact C-N 3.34Å; R442-D445 PolarHBondContact O-N 2.79Å; R442-S446 WeakPolarHBondContact O-CB 3.34Å; R442-S446 PolarHBondContact O-N 2.96Å; R442-S446 VanDerWaalsContact O-N 3.08Å; R442-S446 PolarHBondContact O-OG 3.35Å; R442-A464 HydrophobicContact CB-CB 4.27Å; R442-A464 HydrophobicContact CG-CB 3.9Å
443	S	98.1	Very high	98.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.7	-36.6	176.3	77.5	0	0	0	0	112.1	T439 C440 R441 A464	T439-S443 PolarHBondContact O-N 3Å; C440-S443 PolarHBondContact O-N 3.3Å; C440-S443 PolarHBondContact O-OG 3.14Å; R441-S443 VanDerWaalsContact C-N 3.27Å; R441-S443 PolarHBondContact O-N 3.47Å; S443-A464 WeakPolarHBondContact CA-O 3.31Å
444	Y	98.5	Very high	98.1	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.8	-44.3	172.9	-79.9	-120.5	0	0	0	112	H409 C440 R441 R442 S446 A447 G450 T480 V503	H409-Y444 AromaticContact CD2-CE2 3.99Å; H409-Y444 AromaticContact NE2-CE2 3.41Å; H409-Y444 WeakPolarHBondContact NE2-CE2 3.45Å; H409-Y444 AromaticContact NE2-CZ 3.54Å; H409-Y444 PolarHBondContact NE2-OH 3.07Å; C440-Y444 WeakPolarHBondContact O-CD2 3.15Å; C440-Y444 PolarHBondContact O-N 3.06Å; R441-Y444 WeakPolarHBondContact O-CB 3.46Å; R441-Y444 PolarHBondContact O-N 2.82Å; R441-Y444 VanDerWaalsContact O-N 3.16Å; R442-Y444 VanDerWaalsContact C-N 3.34Å; Y444-S446 VanDerWaalsContact C-N 3.29Å; Y444-S446 PolarHBondContact O-N 3.18Å; Y444-A447 WeakPolarHBondContact O-CB 3.38Å; Y444-A447 PolarHBondContact O-N 3.47Å; Y444-A447 VanDerWaalsContact O-N 3.15Å; Y444-G450 WeakPolarHBondContact CD1-O 3.23Å; Y444-G450 WeakPolarHBondContact O-CA 3.07Å; Y444-T480 HydrophobicContact CD2-CG2 4.19Å; Y444-T480 HydrophobicContact CE2-CG2 3.69Å; Y444-T480 WeakPolarHBondContact CE2-OG1 3.33Å; Y444-V503 HydrophobicContact CD1-CG2 3.85Å; Y444-V503 HydrophobicContact CE1-CG1 4.28Å; Y444-V503 HydrophobicContact CE1-CG2 3.65Å
445	D	97.1	Very high	98	Very high	72 Å²	72	18.8 Å²	18.8	39%	0.385	10%	0.097	S	C	.	.	H	α-helix	trans	-64.2	-33.7	-179.7	-78.8	-30.2	0	0	0	113	R441 R442 A447	R441-D445 IonicContact CZ-OD1 3.27Å; R441-D445 VanDerWaalsContact NE-CG 3.31Å; R441-D445 IonicContact NE-OD1 3.7Å; R441-D445 PolarHBondContact NE-OD1 2.96Å; R441-D445 IonicContact NE-OD2 3.24Å; R441-D445 PolarHBondContact NE-OD2 3Å; R441-D445 IonicContact NH2-OD1 2.61Å; R441-D445 PolarHBondContact NH2-OD1 3.43Å; R441-D445 PolarHBondContact O-N 3.41Å; R442-D445 PolarHBondContact O-N 2.79Å; D445-A447 VanDerWaalsContact C-N 3.26Å; D445-A447 PolarHBondContact O-N 2.85Å
446	S	95.7	Very high	97.9	Very high	15 Å²	15	15.7 Å²	15.7	11%	0.105	8%	0.082	C	C	.	.	H	α-helix	trans	-71.8	-21	177.5	-61.5	0	0	0	0	112.7	R442 Y444 Y524	R442-S446 WeakPolarHBondContact O-CB 3.34Å; R442-S446 PolarHBondContact O-N 2.96Å; R442-S446 VanDerWaalsContact O-N 3.08Å; R442-S446 PolarHBondContact O-OG 3.35Å; Y444-S446 VanDerWaalsContact C-N 3.29Å; Y444-S446 PolarHBondContact O-N 3.18Å; S446-Y524 WeakPolarHBondContact O-CE1 3.39Å
447	A	97.6	Very high	97.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-80.1	136.9	178.4	0	0	0	0	0	112.3	K48 Y444 D445 T449 G450 L451 V523 Y524	K48-A447 PolarHBondContact NZ-O 3.42Å; Y444-A447 WeakPolarHBondContact O-CB 3.38Å; Y444-A447 PolarHBondContact O-N 3.47Å; Y444-A447 VanDerWaalsContact O-N 3.15Å; D445-A447 VanDerWaalsContact C-N 3.26Å; D445-A447 PolarHBondContact O-N 2.85Å; A447-T449 PolarHBondContact O-N 2.83Å; A447-G450 PolarHBondContact O-N 2.84Å; A447-L451 WeakPolarHBondContact CB-O 3.38Å; A447-V523 HydrophobicContact CB-CB 3.95Å; A447-V523 HydrophobicContact CB-CG2 3.88Å; A447-Y524 HydrophobicContact CB-CD1 4.37Å; A447-Y524 HydrophobicContact CB-CE1 4.18Å
448	S	97.7	Very high	97.6	Very high	25 Å²	25	16.3 Å²	16.3	18%	0.175	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-35.3	177.5	-58.6	0	0	0	0	112	K48 G450 V523 Y524	K48-S448 PolarHBondContact NZ-O 2.83Å; S448-G450 VanDerWaalsContact C-N 3.34Å; S448-V523 PolarHBondContact N-O 3.48Å; S448-Y524 WeakPolarHBondContact CB-O 3.38Å; S448-Y524 PolarHBondContact OG-O 3.47Å
449	T	98.2	Very high	97.2	Very high	3 Å²	3	15.3 Å²	15.3	2%	0.018	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.7	174.9	58.7	0	0	0	0	113.5	A447 L451 A506 Y510 L520 V523 S525	A447-T449 PolarHBondContact O-N 2.83Å; T449-L451 VanDerWaalsContact C-N 3.27Å; T449-L451 PolarHBondContact OG1-N 2.91Å; T449-A506 WeakPolarHBondContact O-CB 3.46Å; T449-Y510 HydrophobicContact CG2-CD1 4.16Å; T449-Y510 HydrophobicContact CG2-CD2 4.21Å; T449-Y510 HydrophobicContact CG2-CE1 4.47Å; T449-Y510 HydrophobicContact CG2-CG 4.02Å; T449-Y510 VanDerWaalsContact O-CD2 3.24Å; T449-Y510 WeakPolarHBondContact O-CD2 3.41Å; T449-Y510 WeakPolarHBondContact O-CE2 3.42Å; T449-L520 HydrophobicContact CG2-CD2 3.85Å; T449-V523 WeakPolarHBondContact CB-O 3.38Å; T449-V523 VanDerWaalsContact CG2-O 3.24Å; T449-V523 WeakPolarHBondContact CG2-O 3.45Å; T449-V523 PolarHBondContact N-O 3.47Å; T449-V523 VanDerWaalsContact N-O 3.08Å; T449-V523 PolarHBondContact OG1-O 3.45Å; T449-S525 WeakPolarHBondContact CG2-O 3.48Å
450	G	98.1	Very high	96.5	Very high	15 Å²	15	21 Å²	21	16%	0.155	11%	0.113	C	C	.	.	S	Bend	trans	74.4	16.8	-171.2	0	0	0	0	0	113.8	Y444 A447 S448	Y444-G450 WeakPolarHBondContact CD1-O 3.23Å; Y444-G450 WeakPolarHBondContact O-CA 3.07Å; A447-G450 PolarHBondContact O-N 2.84Å; S448-G450 VanDerWaalsContact C-N 3.34Å
451	L	98.5	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.			trans	-109.9	145.1	173.2	-61.2	171	0	0	0	109.4	A447 T449 Y474 A506 I507 L520 V523	A447-L451 WeakPolarHBondContact CB-O 3.38Å; T449-L451 VanDerWaalsContact C-N 3.27Å; T449-L451 PolarHBondContact OG1-N 2.91Å; L451-Y474 HydrophobicContact CB-CD1 4.18Å; L451-Y474 HydrophobicContact CB-CD2 4.06Å; L451-Y474 HydrophobicContact CB-CE1 4.39Å; L451-Y474 HydrophobicContact CB-CE2 4.34Å; L451-Y474 HydrophobicContact CB-CG 3.96Å; L451-Y474 HydrophobicContact CD1-CD1 3.7Å; L451-Y474 HydrophobicContact CD1-CE1 3.8Å; L451-Y474 HydrophobicContact CD1-CG 4.3Å; L451-Y474 HydrophobicContact CD2-CD1 4.48Å; L451-Y474 HydrophobicContact CD2-CE1 3.9Å; L451-Y474 HydrophobicContact CD2-CE2 4.41Å; L451-Y474 HydrophobicContact CG-CD1 4.32Å; L451-Y474 HydrophobicContact CG-CE1 4.23Å; L451-A506 HydrophobicContact CD2-CB 3.55Å; L451-A506 HydrophobicContact CG-CB 3.85Å; L451-I507 HydrophobicContact CD2-CG1 3.82Å; L451-L520 HydrophobicContact CD1-CD1 3.63Å; L451-L520 HydrophobicContact CD1-CD2 4.17Å; L451-V523 HydrophobicContact CB-CG1 4.19Å; L451-V523 WeakPolarHBondContact O-CB 3.1Å
452	G	97.7	Very high	95	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.			trans	-75.2	137.9	-177.4	0	0	0	0	0	112.9	Y474	G452-Y474 VanDerWaalsContact O-CD2 3.25Å; G452-Y474 WeakPolarHBondContact O-CD2 3.36Å
453	P	98.3	Very high	94.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.			trans	-70	156.4	170.8	30.6	-34.3	0	0	0	111.5	I455 F456 A466 H471 M473 V523	P453-I455 VanDerWaalsContact C-N 3.28Å; P453-I455 PolarHBondContact O-N 3.01Å; P453-F456 HydrophobicContact CG-CB 4.04Å; P453-F456 HydrophobicContact CG-CD1 4.2Å; P453-A466 HydrophobicContact CB-CB 3.67Å; P453-A466 HydrophobicContact CG-CB 4.16Å; P453-H471 VanDerWaalsContact CB-O 3.24Å; P453-H471 WeakPolarHBondContact CB-O 3.01Å; P453-M473 CarbonylContact C-O 3.23Å; P453-M473 WeakPolarHBondContact CA-O 3.48Å; P453-V523 HydrophobicContact CB-CG2 3.85Å; P453-V523 HydrophobicContact CG-CG2 4.42Å
454	E	97.4	Very high	94.5	Very high	20 Å²	20	22.7 Å²	22.7	9%	0.093	13%	0.126	C	C	.	.	S	Bend	trans	-60.2	-36	177.9	-176.2	63.5	-173.3	0	0	112.6	D408 H409 H471 M473 R477	D408-E454 CarbonylContact C-O 3.35Å; D408-E454 WeakPolarHBondContact CA-O 3.48Å; H409-E454 WeakPolarHBondContact CB-O 3.48Å; H409-E454 PolarHBondContact N-O 3.18Å; E454-H471 PolarHBondContact N-O 3.17Å; E454-M473 PolarHBondContact N-O 3.44Å; E454-R477 VanDerWaalsContact CD-NE 3.29Å; E454-R477 IonicContact OE1-CZ 2.64Å; E454-R477 VanDerWaalsContact OE1-CZ 3.26Å; E454-R477 IonicContact OE1-NE 3.17Å; E454-R477 PolarHBondContact OE1-NE 3.2Å; E454-R477 IonicContact OE1-NH2 3.41Å; E454-R477 PolarHBondContact OE1-NH2 3.34Å; E454-R477 WeakPolarHBondContact OE2-CD 3.26Å; E454-R477 IonicContact OE2-CZ 3.53Å; E454-R477 IonicContact OE2-NE 2.97Å; E454-R477 PolarHBondContact OE2-NE 3.18Å; E454-R477 IonicContact OE2-NH2 2.73Å
455	I	97.7	Very high	94.4	Very high	15 Å²	15	23.4 Å²	23.4	8%	0.077	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	137.6	174.8	-55.5	-179.6	0	0	0	108.5	D408 P453 A466 H471	D408-I455 HydrophobicContact CB-CG1 4.26Å; P453-I455 VanDerWaalsContact C-N 3.28Å; P453-I455 PolarHBondContact O-N 3.01Å; I455-A466 WeakPolarHBondContact O-CA 3.33Å; I455-A466 VanDerWaalsContact O-CB 3.27Å; I455-A466 WeakPolarHBondContact O-CB 3.44Å; I455-H471 HydrophobicContact CB-CB 3.95Å; I455-H471 PolarHBondContact N-O 2.96Å
456	F	96.8	Very high	94.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.2	174.7	47.4	-86.1	0	0	0	111.7	S406 M407 T439 P453 F458 A464 I465	S406-F456 CarbonylContact C-O 3.48Å; S406-F456 VanDerWaalsContact CA-O 3.26Å; S406-F456 WeakPolarHBondContact CA-O 3.42Å; M407-F456 HydrophobicContact CB-CD2 4.22Å; M407-F456 HydrophobicContact CB-CE2 3.68Å; M407-F456 HydrophobicContact CB-CZ 3.96Å; M407-F456 HydrophobicContact CG-CE2 4.03Å; M407-F456 HydrophobicContact CG-CZ 3.89Å; M407-F456 PolarHBondContact N-O 2.87Å; M407-F456 WeakPolarHBondContact O-CD1 3.36Å; M407-F456 PolarHBondContact O-N 2.7Å; M407-F456 HydrophobicContact SD-CE2 4Å; M407-F456 HydrophobicContact SD-CZ 3.98Å; T439-F456 HydrophobicContact CG2-CE2 4.34Å; P453-F456 HydrophobicContact CG-CB 4.04Å; P453-F456 HydrophobicContact CG-CD1 4.2Å; F456-F458 AromaticContact CD2-CE2 3.7Å; F456-F458 HydrophobicContact CD2-CE2 3.7Å; F456-F458 AromaticContact CD2-CZ 3.54Å; F456-F458 HydrophobicContact CD2-CZ 3.54Å; F456-F458 AromaticContact CE2-CE2 3.92Å; F456-F458 HydrophobicContact CE2-CE2 3.92Å; F456-F458 AromaticContact CE2-CZ 3.64Å; F456-F458 HydrophobicContact CE2-CZ 3.64Å; F456-A464 HydrophobicContact CD2-CB 4.19Å; F456-I465 WeakPolarHBondContact CA-O 2.86Å
457	S	96.3	Very high	94.1	Very high	10 Å²	10	21.4 Å²	21.4	7%	0.07	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	158.3	-168.8	-57.3	0	0	0	0	112.9	N405 A464 I465 I467	N405-S457 WeakPolarHBondContact O-CA 3.32Å; S457-A464 PolarHBondContact O-N 3.43Å; S457-I465 PolarHBondContact N-O 3.4Å; S457-I467 VanDerWaalsContact CB-CD1 3.41Å
458	F	94.7	Very high	93.9	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	75.1	-176.3	-56.4	-84.6	0	0	0	109.5	S387 L392 Y394 N405 M407 T439 F456 S462 A464	S387-F458 VanDerWaalsContact CB-CD1 3.5Å; L392-F458 HydrophobicContact CB-CE1 4.33Å; L392-F458 HydrophobicContact CD1-CE1 4.13Å; Y394-F458 HydrophobicContact CD1-CB 4.29Å; Y394-F458 HydrophobicContact CD1-CD1 4.02Å; Y394-F458 AromaticContact CD1-CD2 3.7Å; Y394-F458 HydrophobicContact CD1-CD2 3.7Å; Y394-F458 HydrophobicContact CD1-CE1 4.2Å; Y394-F458 AromaticContact CD1-CE2 3.93Å; Y394-F458 HydrophobicContact CD1-CE2 3.93Å; Y394-F458 AromaticContact CD1-CG 3.74Å; Y394-F458 HydrophobicContact CD1-CG 3.74Å; Y394-F458 HydrophobicContact CD1-CZ 4.16Å; Y394-F458 AromaticContact CD2-CD2 3.38Å; Y394-F458 HydrophobicContact CD2-CD2 3.38Å; Y394-F458 AromaticContact CD2-CE2 3.51Å; Y394-F458 HydrophobicContact CD2-CE2 3.51Å; Y394-F458 HydrophobicContact CD2-CG 4.22Å; Y394-F458 HydrophobicContact CD2-CZ 4.41Å; Y394-F458 HydrophobicContact CE1-CB 3.66Å; Y394-F458 HydrophobicContact CE1-CD1 4.2Å; Y394-F458 AromaticContact CE1-CD2 3.81Å; Y394-F458 HydrophobicContact CE1-CD2 3.81Å; Y394-F458 HydrophobicContact CE1-CE2 4.49Å; Y394-F458 AromaticContact CE1-CG 3.63Å; Y394-F458 HydrophobicContact CE1-CG 3.63Å; Y394-F458 HydrophobicContact CE2-CB 4.22Å; Y394-F458 AromaticContact CE2-CD2 3.46Å; Y394-F458 HydrophobicContact CE2-CD2 3.46Å; Y394-F458 VanDerWaalsContact CE2-CD2 3.46Å; Y394-F458 HydrophobicContact CE2-CE2 4.1Å; Y394-F458 HydrophobicContact CE2-CG 4.09Å; Y394-F458 HydrophobicContact CG-CD1 4.45Å; Y394-F458 AromaticContact CG-CD2 3.47Å; Y394-F458 HydrophobicContact CG-CD2 3.47Å; Y394-F458 VanDerWaalsContact CG-CD2 3.47Å; Y394-F458 HydrophobicContact CG-CE1 4.35Å; Y394-F458 AromaticContact CG-CE2 3.38Å; Y394-F458 HydrophobicContact CG-CE2 3.38Å; Y394-F458 HydrophobicContact CG-CG 4.02Å; Y394-F458 AromaticContact CG-CZ 3.84Å; Y394-F458 HydrophobicContact CG-CZ 3.84Å; Y394-F458 AromaticContact CZ-CD2 3.65Å; Y394-F458 AromaticContact CZ-CG 3.77Å; N405-F458 PolarHBondContact O-N 3.23Å; M407-F458 HydrophobicContact CB-CE2 3.93Å; T439-F458 HydrophobicContact CG2-CE1 3.79Å; T439-F458 HydrophobicContact CG2-CZ 3.5Å; T439-F458 VanDerWaalsContact CG2-CZ 3.5Å; F456-F458 AromaticContact CD2-CE2 3.7Å; F456-F458 HydrophobicContact CD2-CE2 3.7Å; F456-F458 AromaticContact CD2-CZ 3.54Å; F456-F458 HydrophobicContact CD2-CZ 3.54Å; F456-F458 AromaticContact CE2-CE2 3.92Å; F456-F458 HydrophobicContact CE2-CE2 3.92Å; F456-F458 AromaticContact CE2-CZ 3.64Å; F456-F458 HydrophobicContact CE2-CZ 3.64Å; F458-S462 CarbonylContact C-O 3.55Å; F458-S462 WeakPolarHBondContact CA-O 3.43Å; F458-A464 HydrophobicContact CE1-CB 3.78Å; F458-A464 HydrophobicContact CZ-CB 4.16Å
459	T	88.8	Confident	93.6	Very high	38 Å²	38	26.2 Å²	26.2	23%	0.233	14%	0.14	C	C	.	.			trans	-100	-178.1	176.3	70.7	0	0	0	0	110.2	Q389 Q461 S462 I467	Q389-T459 PolarHBondContact NE2-O 3.27Å; Q389-T459 PolarHBondContact OE1-O 2.94Å; T459-Q461 PolarHBondContact O-N 3.46Å; T459-Q461 PolarHBondContact OG1-N 3.33Å; T459-S462 PolarHBondContact N-O 3.39Å; T459-S462 VanDerWaalsContact O-O 3.11Å; T459-S462 WeakPolarHBondContact OG1-CB 3.31Å; T459-S462 PolarHBondContact OG1-N 2.9Å; T459-S462 VanDerWaalsContact OG1-N 3.13Å; T459-I467 HydrophobicContact CG2-CD1 3.98Å
460	D	84.3	Confident	93.3	Very high	121 Å²	121	28.6 Å²	28.6	65%	0.647	16%	0.156	S	C	*	.	S	Bend	trans	-62.2	-19.7	173.9	-73.9	-26.9	0	0	0	113.9	Q389	Q389-D460 PolarHBondContact NE2-O 2.85Å; Q389-D460 VanDerWaalsContact NE2-O 3.12Å
461	Q	83	Confident	93.3	Very high	127 Å²	127	29.2 Å²	29.2	59%	0.593	16%	0.155	S	C	*	.	S	Bend	trans	-115.5	-10.4	-175.8	-57.3	78.5	20.9	0	0	113.6	T459	T459-Q461 PolarHBondContact O-N 3.46Å; T459-Q461 PolarHBondContact OG1-N 3.33Å
462	S	82.4	Confident	93.2	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.163	C	C	.	.			trans	-133.2	128.1	-172	-60.9	0	0	0	0	109.9	Q389 F458 T459	Q389-S462 VanDerWaalsContact OE1-C 3.31Å; Q389-S462 PolarHBondContact OE1-O 3.49Å; Q389-S462 VanDerWaalsContact OE1-O 3.11Å; F458-S462 CarbonylContact C-O 3.55Å; F458-S462 WeakPolarHBondContact CA-O 3.43Å; T459-S462 PolarHBondContact N-O 3.39Å; T459-S462 VanDerWaalsContact O-O 3.11Å; T459-S462 WeakPolarHBondContact OG1-CB 3.31Å; T459-S462 PolarHBondContact OG1-N 2.9Å; T459-S462 VanDerWaalsContact OG1-N 3.13Å
463	S	91.2	Very high	93.3	Very high	12 Å²	12	33.1 Å²	33.1	8%	0.084	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	108.9	179.5	-171.5	0	0	0	0	110.3	H390 L392 I465	H390-S463 PolarHBondContact CD2-OG 3.36Å; L392-S463 WeakPolarHBondContact CD1-OG 3.39Å; S463-I465 PolarHBondContact O-N 2.9Å
464	A	94.7	Very high	93.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	56.1	45.6	-176.9	0	0	0	0	0	113.2	L392 R442 S443 F456 S457 F458	L392-A464 HydrophobicContact CD1-CB 4.21Å; R442-A464 HydrophobicContact CB-CB 4.27Å; R442-A464 HydrophobicContact CG-CB 3.9Å; S443-A464 WeakPolarHBondContact CA-O 3.31Å; F456-A464 HydrophobicContact CD2-CB 4.19Å; S457-A464 PolarHBondContact O-N 3.43Å; F458-A464 HydrophobicContact CE1-CB 3.78Å; F458-A464 HydrophobicContact CZ-CB 4.16Å
465	I	95.9	Very high	93.3	Very high	15 Å²	15	32.8 Å²	32.8	8%	0.077	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.5	172.9	61	174	0	0	0	111.7	P54 F456 S457 S463 Y524	P54-I465 HydrophobicContact CB-CD1 4.07Å; F456-I465 WeakPolarHBondContact CA-O 2.86Å; S457-I465 PolarHBondContact N-O 3.4Å; S463-I465 PolarHBondContact O-N 2.9Å; I465-Y524 WeakPolarHBondContact CA-OH 3.45Å; I465-Y524 WeakPolarHBondContact CB-OH 3.31Å; I465-Y524 HydrophobicContact CG2-CE1 4.42Å
466	A	95.3	Very high	93.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.			trans	-71.9	137.2	171.2	0	0	0	0	0	110.8	P453 I455 H471 K472 Y524	P453-A466 HydrophobicContact CB-CB 3.67Å; P453-A466 HydrophobicContact CG-CB 4.16Å; I455-A466 WeakPolarHBondContact O-CA 3.33Å; I455-A466 VanDerWaalsContact O-CB 3.27Å; I455-A466 WeakPolarHBondContact O-CB 3.44Å; A466-H471 HydrophobicContact CB-CB 3.7Å; A466-K472 HydrophobicContact CB-CB 4.32Å; A466-K472 HydrophobicContact CB-CG 3.75Å; A466-Y524 HydrophobicContact CB-CE2 3.83Å; A466-Y524 PolarHBondContact N-OH 2.99Å
467	I	91.9	Very high	93.3	Very high	46 Å²	46	33.3 Å²	33.3	24%	0.236	17%	0.173	C	C	.	.			trans	-97	-50.8	-179.5	-62	178.8	0	0	0	111.2	S457 T459	S457-I467 VanDerWaalsContact CB-CD1 3.41Å; T459-I467 HydrophobicContact CG2-CD1 3.98Å
468	T	92.4	Very high	93.4	Very high	29 Å²	29	32.9 Å²	32.9	18%	0.178	17%	0.17	C	C	.	.	S	Bend	trans	-93.8	161.4	-175.8	69.8	0	0	0	0	111.4	S470 H471 K472	T468-S470 PolarHBondContact O-N 3.02Å; T468-S470 PolarHBondContact OG1-OG 2.88Å; T468-H471 WeakPolarHBondContact O-CB 3.35Å; T468-H471 PolarHBondContact O-N 3.14Å; T468-H471 VanDerWaalsContact O-N 3.15Å; T468-H471 PolarHBondContact OG1-CD2 2.96Å; T468-H471 PolarHBondContact OG1-N 3.48Å; T468-H471 PolarHBondContact OG1-ND1 3.14Å; T468-H471 PolarHBondContact OG1-NE2 3.37Å; T468-K472 WeakPolarHBondContact O-CG 3.43Å; T468-K472 PolarHBondContact O-N 3.34Å
469	Q	92.8	Very high	93.6	Very high	97 Å²	97	33.5 Å²	33.5	45%	0.453	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-40.1	-178.2	-172.1	58.1	38	0	0	113.3	H471 K472 H521	Q469-H471 PolarHBondContact O-N 3.41Å; Q469-K472 PolarHBondContact O-N 2.97Å; Q469-H521 PolarHBondContact NE2-O 2.92Å; Q469-H521 VanDerWaalsContact NE2-O 3.11Å
470	S	92	Very high	94.1	Very high	52 Å²	52	31.7 Å²	31.7	36%	0.364	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-65.1	-29	177.4	54.3	0	0	0	0	112.4	T468 K472 M473	T468-S470 PolarHBondContact O-N 3.02Å; T468-S470 PolarHBondContact OG1-OG 2.88Å; S470-K472 VanDerWaalsContact C-N 3.32Å; S470-M473 WeakPolarHBondContact O-CG 3.37Å
471	H	96.2	Very high	94.8	Very high	29 Å²	29	26 Å²	26	13%	0.134	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-73.7	-25.5	178.3	-65.7	-173.3	0	0	0	112.3	P453 E454 I455 A466 T468 Q469 M473	P453-H471 VanDerWaalsContact CB-O 3.24Å; P453-H471 WeakPolarHBondContact CB-O 3.01Å; E454-H471 PolarHBondContact N-O 3.17Å; I455-H471 HydrophobicContact CB-CB 3.95Å; I455-H471 PolarHBondContact N-O 2.96Å; A466-H471 HydrophobicContact CB-CB 3.7Å; T468-H471 WeakPolarHBondContact O-CB 3.35Å; T468-H471 PolarHBondContact O-N 3.14Å; T468-H471 VanDerWaalsContact O-N 3.15Å; T468-H471 PolarHBondContact OG1-CD2 2.96Å; T468-H471 PolarHBondContact OG1-N 3.48Å; T468-H471 PolarHBondContact OG1-ND1 3.14Å; T468-H471 PolarHBondContact OG1-NE2 3.37Å; Q469-H471 PolarHBondContact O-N 3.41Å; H471-M473 PolarHBondContact O-N 3.44Å
472	K	98.1	Very high	95.6	Very high	38 Å²	38	20.3 Å²	20.3	17%	0.165	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-75.4	-4.7	-177.2	-60.1	174.2	-169.2	171.5	0	114.1	A466 T468 Q469 S470 D522 V523 Y524	A466-K472 HydrophobicContact CB-CB 4.32Å; A466-K472 HydrophobicContact CB-CG 3.75Å; T468-K472 WeakPolarHBondContact O-CG 3.43Å; T468-K472 PolarHBondContact O-N 3.34Å; Q469-K472 PolarHBondContact O-N 2.97Å; S470-K472 VanDerWaalsContact C-N 3.32Å; K472-D522 HydrophobicContact CB-CB 4.41Å; K472-D522 VanDerWaalsContact CD-OD2 3.3Å; K472-D522 WeakPolarHBondContact CD-OD2 3.38Å; K472-D522 IonicContact NZ-OD2 3.11Å; K472-D522 WeakPolarHBondContact O-CA 3.36Å; K472-V523 WeakPolarHBondContact O-CG1 3.29Å; K472-V523 PolarHBondContact O-N 2.94Å; K472-Y524 HydrophobicContact CB-CD2 4.4Å; K472-Y524 HydrophobicContact CD-CD2 4.05Å; K472-Y524 HydrophobicContact CG-CD2 3.9Å; K472-Y524 HydrophobicContact CG-CE2 3.95Å
473	M	98	Very high	96.3	Very high	43 Å²	43	20.2 Å²	20.2	21%	0.212	10%	0.104	C	C	.	.			trans	-67.7	150.9	-177.1	-62	-173.6	63.3	0	0	111.2	P453 E454 S470 H471 L475 L520 D531	P453-M473 CarbonylContact C-O 3.23Å; P453-M473 WeakPolarHBondContact CA-O 3.48Å; E454-M473 PolarHBondContact N-O 3.44Å; S470-M473 WeakPolarHBondContact O-CG 3.37Å; H471-M473 PolarHBondContact O-N 3.44Å; M473-L475 HydrophobicContact CE-CD2 3.88Å; M473-L520 CarbonylContact C-O 3.58Å; M473-L520 VanDerWaalsContact CA-O 3.22Å; M473-L520 WeakPolarHBondContact CA-O 3.49Å; M473-D531 HydrophobicContact CE-CB 4.46Å
474	Y	98.2	Very high	96.7	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.008	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-120.6	120.6	166	172.3	-110.4	0	0	0	108.6	L451 G452 L476 I507 G519 L520	L451-Y474 HydrophobicContact CB-CD1 4.18Å; L451-Y474 HydrophobicContact CB-CD2 4.06Å; L451-Y474 HydrophobicContact CB-CE1 4.39Å; L451-Y474 HydrophobicContact CB-CE2 4.34Å; L451-Y474 HydrophobicContact CB-CG 3.96Å; L451-Y474 HydrophobicContact CD1-CD1 3.7Å; L451-Y474 HydrophobicContact CD1-CE1 3.8Å; L451-Y474 HydrophobicContact CD1-CG 4.3Å; L451-Y474 HydrophobicContact CD2-CD1 4.48Å; L451-Y474 HydrophobicContact CD2-CE1 3.9Å; L451-Y474 HydrophobicContact CD2-CE2 4.41Å; L451-Y474 HydrophobicContact CG-CD1 4.32Å; L451-Y474 HydrophobicContact CG-CE1 4.23Å; G452-Y474 VanDerWaalsContact O-CD2 3.25Å; G452-Y474 WeakPolarHBondContact O-CD2 3.36Å; Y474-L476 HydrophobicContact CD1-CD2 4.11Å; Y474-L476 HydrophobicContact CE1-CD2 3.59Å; Y474-I507 HydrophobicContact CE1-CG1 4.38Å; Y474-G519 CarbonylContact O-C 3.52Å; Y474-G519 WeakPolarHBondContact O-CA 3.28Å; Y474-L520 HydrophobicContact CD1-CD1 3.67Å; Y474-L520 HydrophobicContact CG-CD1 4.41Å; Y474-L520 PolarHBondContact N-O 3.4Å; Y474-L520 PolarHBondContact O-N 3.24Å
475	L	97.8	Very high	96.9	Very high	12 Å²	12	19.7 Å²	19.7	6%	0.063	10%	0.1	C	C	.	.			trans	-107.5	32.9	-173.7	-60.2	-179.4	0	0	0	112.3	M473 R477 D531 Q535 Y537	M473-L475 HydrophobicContact CE-CD2 3.88Å; L475-R477 HydrophobicContact CB-CG 4.15Å; L475-R477 PolarHBondContact O-N 3.15Å; L475-R477 VanDerWaalsContact O-N 3.08Å; L475-D531 WeakPolarHBondContact CD2-OD2 2.98Å; L475-Q535 PolarHBondContact O-OE1 3.34Å; L475-Y537 WeakPolarHBondContact O-CE2 3.46Å; L475-Y537 VanDerWaalsContact O-CZ 3.27Å; L475-Y537 PolarHBondContact O-OH 2.73Å
476	L	98.5	Very high	97.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.			trans	60.3	19.3	178.7	-54	-177	0	0	0	115.4	Y474 A511 Y537 F538 T542	Y474-L476 HydrophobicContact CD1-CD2 4.11Å; Y474-L476 HydrophobicContact CE1-CD2 3.59Å; L476-A511 HydrophobicContact CD2-CB 3.93Å; L476-Y537 HydrophobicContact CB-CE2 4.36Å; L476-F538 HydrophobicContact CB-CB 4.04Å; L476-F538 HydrophobicContact CB-CD2 3.71Å; L476-F538 HydrophobicContact CB-CG 4.1Å; L476-F538 HydrophobicContact CD1-CB 3.97Å; L476-F538 HydrophobicContact CD1-CD1 4.25Å; L476-F538 HydrophobicContact CD1-CD2 4.02Å; L476-F538 HydrophobicContact CD1-CG 3.8Å; L476-F538 HydrophobicContact CD2-CD2 4.35Å; L476-F538 HydrophobicContact CD2-CE2 4.42Å; L476-F538 HydrophobicContact CG-CD2 4.26Å; L476-F538 HydrophobicContact CG-CG 4.49Å; L476-T542 PolarHBondContact O-OG1 2.83Å
477	R	97.7	Very high	97.2	Very high	26 Å²	26	19 Å²	19	10%	0.098	10%	0.097	C	C	.	.			trans	-70.4	151.6	-169.7	-63.5	-172.3	178.5	-78.8	3.8	114.9	E454 L475 E479 Y537	E454-R477 VanDerWaalsContact CD-NE 3.29Å; E454-R477 IonicContact OE1-CZ 2.64Å; E454-R477 VanDerWaalsContact OE1-CZ 3.26Å; E454-R477 IonicContact OE1-NE 3.17Å; E454-R477 PolarHBondContact OE1-NE 3.2Å; E454-R477 IonicContact OE1-NH2 3.41Å; E454-R477 PolarHBondContact OE1-NH2 3.34Å; E454-R477 WeakPolarHBondContact OE2-CD 3.26Å; E454-R477 IonicContact OE2-CZ 3.53Å; E454-R477 IonicContact OE2-NE 2.97Å; E454-R477 PolarHBondContact OE2-NE 3.18Å; E454-R477 IonicContact OE2-NH2 2.73Å; L475-R477 HydrophobicContact CB-CG 4.15Å; L475-R477 PolarHBondContact O-N 3.15Å; L475-R477 VanDerWaalsContact O-N 3.08Å; R477-E479 WeakPolarHBondContact CB-OE2 3.42Å; R477-E479 WeakPolarHBondContact CD-OE2 3.49Å; R477-Y537 HydrophobicContact CG-CE2 4.28Å
478	P	98.5	Very high	97.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.089	C	C	.	.			trans	-90.1	-18.4	-174.7	35	-39.9	0	0	0	115.9	T480 V481 E482 E541 T542 Y545	P478-T480 VanDerWaalsContact C-N 3.27Å; P478-T480 PolarHBondContact O-N 3.14Å; P478-V481 HydrophobicContact CB-CG2 4.41Å; P478-V481 CarbonylContact O-C 3.53Å; P478-V481 WeakPolarHBondContact O-CA 3.35Å; P478-V481 WeakPolarHBondContact O-CG2 3.48Å; P478-V481 PolarHBondContact O-N 3.24Å; P478-E482 PolarHBondContact O-N 2.85Å; P478-E541 HydrophobicContact CB-CB 3.6Å; P478-E541 HydrophobicContact CG-CB 3.69Å; P478-E541 HydrophobicContact CG-CG 4.34Å; P478-T542 WeakPolarHBondContact CA-OG1 3.41Å; P478-Y545 HydrophobicContact CB-CD2 4.03Å; P478-Y545 HydrophobicContact CB-CE2 4.35Å
479	E	98.6	Very high	97.8	Very high	15 Å²	15	17.1 Å²	17.1	7%	0.07	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-32.5	-155.1	-58.5	83.1	-155.3	0	0	113.9	H409 L410 C412 F413 R477 S483	H409-E479 IonicContact CE1-OE2 2.67Å; H409-E479 PolarHBondContact CE1-OE2 3.2Å; H409-E479 IonicContact CG-OE2 2.75Å; H409-E479 IonicContact ND1-OE2 3.33Å; H409-E479 PolarHBondContact ND1-OE2 3.09Å; L410-E479 HydrophobicContact CD2-CG 4.36Å; L410-E479 WeakPolarHBondContact CD2-OE1 3.29Å; L410-E479 WeakPolarHBondContact O-CG 3.35Å; C412-E479 CarbonylContact C-O 3.44Å; C412-E479 HydrophobicContact CB-CB 4.06Å; F413-E479 HydrophobicContact CB-CB 4.03Å; F413-E479 HydrophobicContact CB-CG 4.19Å; R477-E479 WeakPolarHBondContact CB-OE2 3.42Å; R477-E479 WeakPolarHBondContact CD-OE2 3.49Å; E479-S483 PolarHBondContact O-N 3.19Å; E479-S483 PolarHBondContact O-OG 2.74Å
480	T	98.8	Very high	98.1	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-44.1	172.9	-62.3	0	0	0	0	112.1	H409 C412 C440 Y444 P478 S483 Y484	H409-T480 PolarHBondContact NE2-OG1 2.94Å; H409-T480 VanDerWaalsContact NE2-OG1 3.15Å; C412-T480 WeakPolarHBondContact CB-OG1 3.5Å; C412-T480 PolarHBondContact SG-OG1 3.12Å; C440-T480 HydrophobicContact CB-CG2 4.11Å; Y444-T480 HydrophobicContact CD2-CG2 4.19Å; Y444-T480 HydrophobicContact CE2-CG2 3.69Å; Y444-T480 WeakPolarHBondContact CE2-OG1 3.33Å; P478-T480 VanDerWaalsContact C-N 3.27Å; P478-T480 PolarHBondContact O-N 3.14Å; T480-S483 PolarHBondContact O-N 3.48Å; T480-Y484 HydrophobicContact CG2-CE1 3.75Å; T480-Y484 HydrophobicContact CG2-CE2 3.82Å; T480-Y484 VanDerWaalsContact CG2-OH 3.23Å; T480-Y484 WeakPolarHBondContact CG2-OH 3.45Å; T480-Y484 VanDerWaalsContact O-CD1 3.28Å; T480-Y484 WeakPolarHBondContact O-CD1 3.17Å; T480-Y484 PolarHBondContact O-N 3.47Å; T480-Y484 VanDerWaalsContact O-N 3.12Å
481	V	98.8	Very high	98.3	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	7%	0.067	C	C	.	.	H	α-helix	trans	-76.7	-25.3	-179.9	-63.1	0	0	0	0	112.6	P478 Y484 F485 V503 T542 L546	P478-V481 HydrophobicContact CB-CG2 4.41Å; P478-V481 CarbonylContact O-C 3.53Å; P478-V481 WeakPolarHBondContact O-CA 3.35Å; P478-V481 WeakPolarHBondContact O-CG2 3.48Å; P478-V481 PolarHBondContact O-N 3.24Å; V481-Y484 HydrophobicContact CG1-CD2 4.21Å; V481-Y484 PolarHBondContact O-N 3.27Å; V481-F485 WeakPolarHBondContact O-CB 3.34Å; V481-F485 PolarHBondContact O-N 3.4Å; V481-V503 HydrophobicContact CG1-CB 4.2Å; V481-V503 HydrophobicContact CG1-CG1 3.95Å; V481-V503 HydrophobicContact CG1-CG2 4.09Å; V481-T542 HydrophobicContact CG2-CG2 4.45Å; V481-L546 HydrophobicContact CB-CD2 4.23Å; V481-L546 HydrophobicContact CB-CG 4.5Å; V481-L546 HydrophobicContact CG1-CD2 3.86Å; V481-L546 HydrophobicContact CG1-CG 4.4Å; V481-L546 HydrophobicContact CG2-CG 4.45Å
482	E	98.9	Very high	98.4	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.028	7%	0.073	C	C	.	.	H	α-helix	trans	-59.2	-51.1	167.1	176.7	-179.4	-168.5	0	0	110.6	K355 F413 P478 Y484 F485 Y486 Y545	K355-E482 IonicContact NZ-OE1 3.93Å; K355-E482 PolarHBondContact NZ-OE1 2.83Å; F413-E482 WeakPolarHBondContact CB-OE2 3.27Å; P478-E482 PolarHBondContact O-N 2.85Å; E482-Y484 VanDerWaalsContact C-N 3.29Å; E482-Y484 PolarHBondContact O-N 3Å; E482-F485 WeakPolarHBondContact O-CB 3.45Å; E482-F485 PolarHBondContact O-N 3.2Å; E482-Y486 HydrophobicContact CG-CD2 3.8Å; E482-Y486 HydrophobicContact CG-CE2 3.73Å; E482-Y486 WeakPolarHBondContact O-CD2 3.33Å; E482-Y486 PolarHBondContact O-N 3.23Å; E482-Y486 WeakPolarHBondContact OE1-CE2 3.26Å; E482-Y545 HydrophobicContact CB-CD2 3.84Å; E482-Y545 HydrophobicContact CB-CE1 4.37Å; E482-Y545 HydrophobicContact CB-CE2 3.65Å; E482-Y545 HydrophobicContact CB-CG 4.26Å; E482-Y545 HydrophobicContact CG-CD2 4.41Å; E482-Y545 HydrophobicContact CG-CE1 3.99Å; E482-Y545 HydrophobicContact CG-CE2 3.81Å; E482-Y545 PolarHBondContact OE1-OH 3.3Å
483	S	98.9	Very high	98.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.5	-40	176.4	-75.6	0	0	0	0	112.2	C412 G415 G416 E479 T480 F485 L487	C412-S483 PolarHBondContact O-OG 3.49Å; G415-S483 WeakPolarHBondContact CA-OG 3.37Å; G416-S483 PolarHBondContact N-OG 3.5Å; E479-S483 PolarHBondContact O-N 3.19Å; E479-S483 PolarHBondContact O-OG 2.74Å; T480-S483 PolarHBondContact O-N 3.48Å; S483-F485 VanDerWaalsContact C-N 3.34Å; S483-F485 PolarHBondContact O-N 3.07Å; S483-L487 VanDerWaalsContact O-CB 3.32Å; S483-L487 WeakPolarHBondContact O-CB 3.42Å; S483-L487 PolarHBondContact O-N 2.83Å
484	Y	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.1	-42.1	172.9	-61.4	-11.6	0	0	0	112.1	T437 R441 T480 V481 E482 W488 Y496 W499 A500 V503 I549	T437-Y484 HydrophobicContact CG2-CD1 3.47Å; T437-Y484 VanDerWaalsContact CG2-CD1 3.47Å; T437-Y484 HydrophobicContact CG2-CE1 3.51Å; R441-Y484 WeakPolarHBondContact CA-OH 3.2Å; R441-Y484 HydrophobicContact CB-CE1 4.49Å; R441-Y484 WeakPolarHBondContact CB-OH 3.16Å; R441-Y484 VanDerWaalsContact CD-OH 3.23Å; R441-Y484 WeakPolarHBondContact CD-OH 3.47Å; T480-Y484 HydrophobicContact CG2-CE1 3.75Å; T480-Y484 HydrophobicContact CG2-CE2 3.82Å; T480-Y484 VanDerWaalsContact CG2-OH 3.23Å; T480-Y484 WeakPolarHBondContact CG2-OH 3.45Å; T480-Y484 VanDerWaalsContact O-CD1 3.28Å; T480-Y484 WeakPolarHBondContact O-CD1 3.17Å; T480-Y484 PolarHBondContact O-N 3.47Å; T480-Y484 VanDerWaalsContact O-N 3.12Å; V481-Y484 HydrophobicContact CG1-CD2 4.21Å; V481-Y484 PolarHBondContact O-N 3.27Å; E482-Y484 VanDerWaalsContact C-N 3.29Å; E482-Y484 PolarHBondContact O-N 3Å; Y484-W488 WeakPolarHBondContact O-CB 2.9Å; Y484-W488 PolarHBondContact O-N 3.44Å; Y484-Y496 HydrophobicContact CD1-CD1 4.15Å; Y484-W499 HydrophobicContact CD1-CE3 4.06Å; Y484-W499 HydrophobicContact CD2-CB 4Å; Y484-W499 AromaticContact CE1-CE3 3.61Å; Y484-W499 HydrophobicContact CE1-CE3 3.61Å; Y484-W499 HydrophobicContact CE1-CZ3 4.22Å; Y484-W499 HydrophobicContact CE2-CB 3.6Å; Y484-W499 AromaticContact CZ-CE3 3.94Å; Y484-A500 HydrophobicContact CD2-CB 4.37Å; Y484-V503 HydrophobicContact CE2-CG2 4.33Å; Y484-I549 WeakPolarHBondContact O-CD1 3.34Å
485	F	98.9	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.7	-52.1	178.5	160.6	-106.1	0	0	0	111.8	V481 E482 S483 L487 W488 R489 Y545 L548 I549 L558 F563	V481-F485 WeakPolarHBondContact O-CB 3.34Å; V481-F485 PolarHBondContact O-N 3.4Å; E482-F485 WeakPolarHBondContact O-CB 3.45Å; E482-F485 PolarHBondContact O-N 3.2Å; S483-F485 VanDerWaalsContact C-N 3.34Å; S483-F485 PolarHBondContact O-N 3.07Å; F485-L487 PolarHBondContact O-N 3.43Å; F485-W488 PolarHBondContact O-N 2.99Å; F485-R489 HydrophobicContact CD2-CG 4.03Å; F485-R489 HydrophobicContact CE2-CG 3.58Å; F485-R489 HydrophobicContact CZ-CG 3.95Å; F485-R489 WeakPolarHBondContact O-CG 3.43Å; F485-R489 PolarHBondContact O-N 3.17Å; F485-Y545 HydrophobicContact CB-CD1 4.01Å; F485-Y545 AromaticContact CD1-CD1 3.59Å; F485-Y545 HydrophobicContact CD1-CD1 3.59Å; F485-Y545 AromaticContact CD1-CE1 3.75Å; F485-Y545 HydrophobicContact CD1-CE1 3.75Å; F485-Y545 HydrophobicContact CE1-CD1 4.26Å; F485-Y545 HydrophobicContact CE1-CE1 4.16Å; F485-Y545 AromaticContact CG-CD1 3.87Å; F485-Y545 HydrophobicContact CG-CD1 3.87Å; F485-Y545 HydrophobicContact CG-CE1 4.48Å; F485-L548 HydrophobicContact CD2-CB 3.78Å; F485-L548 HydrophobicContact CE2-CB 3.6Å; F485-L548 HydrophobicContact CE2-CD1 4.33Å; F485-L548 HydrophobicContact CZ-CB 4.36Å; F485-L548 HydrophobicContact CZ-CD1 4.29Å; F485-I549 HydrophobicContact CB-CB 4.4Å; F485-I549 HydrophobicContact CD2-CB 4.46Å; F485-L558 HydrophobicContact CE1-CD2 4.26Å; F485-L558 HydrophobicContact CZ-CD2 4.19Å; F485-F563 HydrophobicContact CE1-CE2 4.11Å; F485-F563 HydrophobicContact CE1-CZ 4.46Å; F485-F563 HydrophobicContact CZ-CE2 4.16Å; F485-F563 HydrophobicContact CZ-CZ 4.3Å
486	Y	98.8	Very high	98.3	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.008	8%	0.078	C	C	.	.	H	α-helix	trans	-60.9	-48	179.2	-82.8	-68.4	0	0	0	111.3	K355 L420 E482 W488 R489 L490 L558	K355-Y486 WeakPolarHBondContact CE-OH 3.25Å; K355-Y486 PolarHBondContact NZ-OH 2.87Å; L420-Y486 HydrophobicContact CB-CD1 4.37Å; L420-Y486 HydrophobicContact CD1-CD1 4.04Å; L420-Y486 HydrophobicContact CD1-CE1 3.91Å; L420-Y486 HydrophobicContact CD2-CD1 4.29Å; L420-Y486 HydrophobicContact CD2-CE1 3.66Å; L420-Y486 HydrophobicContact CG-CD1 4.47Å; L420-Y486 HydrophobicContact CG-CE1 4.25Å; E482-Y486 HydrophobicContact CG-CD2 3.8Å; E482-Y486 HydrophobicContact CG-CE2 3.73Å; E482-Y486 WeakPolarHBondContact O-CD2 3.33Å; E482-Y486 PolarHBondContact O-N 3.23Å; E482-Y486 WeakPolarHBondContact OE1-CE2 3.26Å; Y486-W488 VanDerWaalsContact C-N 3.34Å; Y486-W488 PolarHBondContact O-N 2.95Å; Y486-R489 PolarHBondContact O-N 3.44Å; Y486-L490 WeakPolarHBondContact O-CB 3.01Å; Y486-L490 WeakPolarHBondContact O-CG 3.21Å; Y486-L490 PolarHBondContact O-N 3.13Å; Y486-L558 HydrophobicContact CD1-CD1 3.89Å; Y486-L558 HydrophobicContact CE1-CD1 4.05Å; Y486-L558 HydrophobicContact CE1-CD2 3.97Å
487	L	98.9	Very high	98.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.2	-36.2	179.3	-79.4	164.9	0	0	0	112.5	S419 F430 V434 T437 S483 F485 L490 T491 Y496	S419-L487 VanDerWaalsContact OG-CD2 3.3Å; S419-L487 WeakPolarHBondContact OG-CD2 3.45Å; F430-L487 HydrophobicContact CE1-CD2 4.28Å; F430-L487 HydrophobicContact CZ-CD2 4Å; V434-L487 HydrophobicContact CG2-CD2 3.69Å; T437-L487 HydrophobicContact CG2-CD1 3.68Å; T437-L487 WeakPolarHBondContact OG1-CD1 3.47Å; S483-L487 VanDerWaalsContact O-CB 3.32Å; S483-L487 WeakPolarHBondContact O-CB 3.42Å; S483-L487 PolarHBondContact O-N 2.83Å; F485-L487 PolarHBondContact O-N 3.43Å; L487-L490 PolarHBondContact O-N 3.15Å; L487-T491 HydrophobicContact CD2-CG2 4.22Å; L487-T491 VanDerWaalsContact O-CB 3.26Å; L487-T491 WeakPolarHBondContact O-CB 3.34Å; L487-T491 WeakPolarHBondContact O-CG2 3.3Å; L487-T491 PolarHBondContact O-N 3.48Å; L487-T491 PolarHBondContact O-OG1 2.83Å; L487-Y496 HydrophobicContact CB-CD1 4.03Å; L487-Y496 HydrophobicContact CB-CD2 3.92Å; L487-Y496 HydrophobicContact CB-CE1 3.71Å; L487-Y496 HydrophobicContact CB-CE2 3.59Å; L487-Y496 HydrophobicContact CB-CG 4.13Å; L487-Y496 VanDerWaalsContact CB-CZ 3.47Å; L487-Y496 HydrophobicContact CD1-CE1 3.69Å; L487-Y496 HydrophobicContact CG-CE1 4.29Å
488	W	98.6	Very high	98.3	Very high	17 Å²	17	16 Å²	16	6%	0.064	8%	0.079	C	C	.	.	H	α-helix	trans	-59.4	-49.2	170.8	165	-108.2	0	0	0	111.7	Y484 F485 Y486 L490 K492 R497 I549	Y484-W488 WeakPolarHBondContact O-CB 2.9Å; Y484-W488 PolarHBondContact O-N 3.44Å; F485-W488 PolarHBondContact O-N 2.99Å; Y486-W488 VanDerWaalsContact C-N 3.34Å; Y486-W488 PolarHBondContact O-N 2.95Å; W488-L490 VanDerWaalsContact C-N 3.31Å; W488-L490 PolarHBondContact O-N 2.7Å; W488-K492 HydrophobicContact CD2-CD 4.48Å; W488-K492 HydrophobicContact CH2-CB 4.49Å; W488-K492 HydrophobicContact CH2-CD 4.03Å; W488-K492 HydrophobicContact CZ2-CD 3.78Å; W488-K492 HydrophobicContact CZ3-CB 4.42Å; W488-K492 HydrophobicContact CZ3-CD 4.47Å; W488-K492 WeakPolarHBondContact CZ3-O 3.49Å; W488-K492 WeakPolarHBondContact O-CA 3.36Å; W488-K492 PolarHBondContact O-N 3.28Å; W488-R497 HydrophobicContact CD2-CG 3.89Å; W488-R497 VanDerWaalsContact CE2-CZ 3.44Å; W488-R497 HydrophobicContact CE3-CG 3.93Å; W488-R497 HydrophobicContact CG-CG 4.37Å; W488-R497 VanDerWaalsContact CZ2-NH1 3.34Å; W488-R497 HydrophobicContact CZ3-CG 4.26Å; W488-I549 HydrophobicContact CB-CD1 3.88Å; W488-I549 HydrophobicContact CB-CG1 3.63Å; W488-I549 HydrophobicContact CG-CD1 4.38Å; W488-I549 HydrophobicContact CG-CG1 3.67Å; W488-I549 PolarHBondContact NE1-O 3.4Å
489	R	98	Very high	98.3	Very high	17 Å²	17	18 Å²	18	6%	0.064	9%	0.087	C	C	.	.	H	α-helix	trans	-60.4	-41.7	179.3	-70.8	-67.1	-176.6	114.6	-6.3	111.5	F485 Y486 E552 D553 L555 L556 L558	F485-R489 HydrophobicContact CD2-CG 4.03Å; F485-R489 HydrophobicContact CE2-CG 3.58Å; F485-R489 HydrophobicContact CZ-CG 3.95Å; F485-R489 WeakPolarHBondContact O-CG 3.43Å; F485-R489 PolarHBondContact O-N 3.17Å; Y486-R489 PolarHBondContact O-N 3.44Å; R489-E552 PolarHBondContact NH2-O 2.81Å; R489-D553 VanDerWaalsContact CD-CG 3.46Å; R489-D553 WeakPolarHBondContact CD-OD1 3.35Å; R489-D553 IonicContact CZ-OD1 2.96Å; R489-D553 IonicContact NE-OD1 3.32Å; R489-D553 PolarHBondContact NE-OD1 2.97Å; R489-D553 PolarHBondContact NH1-O 2.73Å; R489-L555 PolarHBondContact NH1-O 3.29Å; R489-L555 PolarHBondContact NH2-O 3.44Å; R489-L556 PolarHBondContact NH1-O 2.92Å; R489-L558 HydrophobicContact CB-CD1 3.81Å; R489-L558 HydrophobicContact CG-CD1 4.18Å
490	L	98.2	Very high	98.3	Very high	55 Å²	55	17.3 Å²	17.3	29%	0.288	8%	0.083	S	C	.	.	H	α-helix	trans	-79.4	-36.8	-176.4	-63.8	167.6	0	0	0	113.2	S419 K425 F430 Y486 L487 W488	S419-L490 WeakPolarHBondContact O-CD1 3.36Å; K425-L490 WeakPolarHBondContact CE-O 3.29Å; K425-L490 PolarHBondContact NZ-O 3.28Å; F430-L490 HydrophobicContact CE2-CB 4.02Å; F430-L490 HydrophobicContact CE2-CD1 4.03Å; F430-L490 HydrophobicContact CZ-CB 4.2Å; Y486-L490 WeakPolarHBondContact O-CB 3.01Å; Y486-L490 WeakPolarHBondContact O-CG 3.21Å; Y486-L490 PolarHBondContact O-N 3.13Å; L487-L490 PolarHBondContact O-N 3.15Å; W488-L490 VanDerWaalsContact C-N 3.31Å; W488-L490 PolarHBondContact O-N 2.7Å
491	T	98	Very high	98.3	Very high	31 Å²	31	19.3 Å²	19.3	19%	0.19	9%	0.091	C	C	.	.	H	α-helix	trans	-102.1	-34.5	-172	67	0	0	0	0	114.4	F430 L487 D493 Y496	F430-T491 HydrophobicContact CE1-CG2 3.95Å; F430-T491 HydrophobicContact CZ-CG2 3.59Å; L487-T491 HydrophobicContact CD2-CG2 4.22Å; L487-T491 VanDerWaalsContact O-CB 3.26Å; L487-T491 WeakPolarHBondContact O-CB 3.34Å; L487-T491 WeakPolarHBondContact O-CG2 3.3Å; L487-T491 PolarHBondContact O-N 3.48Å; L487-T491 PolarHBondContact O-OG1 2.83Å; T491-D493 PolarHBondContact O-N 3.25Å; T491-D493 WeakPolarHBondContact OG1-CB 3.38Å; T491-D493 PolarHBondContact OG1-N 3Å; T491-Y496 HydrophobicContact CG2-CE2 4.36Å; T491-Y496 WeakPolarHBondContact OG1-CE2 3.3Å
492	K	97	Very high	98.3	Very high	58 Å²	58	21 Å²	21	25%	0.252	10%	0.1	S	C	.	.			trans	57.8	22.8	-162.5	-55.4	-65.2	168.3	-164.6	0	114.8	N31 W488 P494 D553	N31-K492 PolarHBondContact ND2-O 3.32Å; W488-K492 HydrophobicContact CD2-CD 4.48Å; W488-K492 HydrophobicContact CH2-CB 4.49Å; W488-K492 HydrophobicContact CH2-CD 4.03Å; W488-K492 HydrophobicContact CZ2-CD 3.78Å; W488-K492 HydrophobicContact CZ3-CB 4.42Å; W488-K492 HydrophobicContact CZ3-CD 4.47Å; W488-K492 WeakPolarHBondContact CZ3-O 3.49Å; W488-K492 WeakPolarHBondContact O-CA 3.36Å; W488-K492 PolarHBondContact O-N 3.28Å; K492-P494 WeakPolarHBondContact O-CD 3.29Å; K492-D553 WeakPolarHBondContact CE-OD2 3.41Å; K492-D553 IonicContact NZ-OD1 3.43Å; K492-D553 PolarHBondContact NZ-OD1 2.99Å; K492-D553 IonicContact NZ-OD2 2.71Å; K492-D553 PolarHBondContact NZ-OD2 3.45Å
493	D	97.5	Very high	98.3	Very high	60 Å²	60	20.7 Å²	20.7	32%	0.321	10%	0.099	S	C	.	.			trans	-70.8	119.5	172.2	-174.1	-22.6	0	0	0	109.7	T491 K495 Y496	T491-D493 PolarHBondContact O-N 3.25Å; T491-D493 WeakPolarHBondContact OG1-CB 3.38Å; T491-D493 PolarHBondContact OG1-N 3Å; D493-K495 HydrophobicContact CB-CG 4.38Å; D493-K495 PolarHBondContact O-N 2.96Å; D493-K495 WeakPolarHBondContact OD1-CB 3.35Å; D493-K495 WeakPolarHBondContact OD1-CG 3.48Å; D493-K495 PolarHBondContact OD1-N 2.81Å; D493-K495 WeakPolarHBondContact OD2-CD 3.26Å; D493-Y496 HydrophobicContact CB-CD2 3.91Å; D493-Y496 HydrophobicContact CB-CE2 3.77Å; D493-Y496 WeakPolarHBondContact O-CD2 3.21Å; D493-Y496 PolarHBondContact O-N 2.85Å
494	P	96.5	Very high	98.3	Very high	12 Å²	12	20.8 Å²	20.8	8%	0.078	10%	0.099	C	C	.	.	H	α-helix	trans	-61	-17.2	-178.7	25.1	-34.7	0	0	0	113.7	L34 F35 K492 Y496 R497 V498	L34-P494 HydrophobicContact CB-CG 4.32Å; F35-P494 HydrophobicContact CB-CB 4.16Å; K492-P494 WeakPolarHBondContact O-CD 3.29Å; P494-Y496 PolarHBondContact O-N 3.12Å; P494-R497 PolarHBondContact O-N 3.44Å; P494-V498 WeakPolarHBondContact O-CG2 3.41Å; P494-V498 PolarHBondContact O-N 2.87Å; P494-V498 VanDerWaalsContact O-N 3.08Å
495	K	97.6	Very high	98.3	Very high	34 Å²	34	24.8 Å²	24.8	15%	0.148	12%	0.118	C	C	.	.	H	α-helix	trans	-55.7	-37.3	178.1	80.4	-179.3	-176.9	161.5	0	112.4	D438 D493 V498 W499	D438-K495 IonicContact OD1-NZ 3.73Å; D438-K495 PolarHBondContact OD1-NZ 2.96Å; D438-K495 IonicContact OD2-NZ 3.93Å; D438-K495 PolarHBondContact OD2-NZ 2.78Å; D493-K495 HydrophobicContact CB-CG 4.38Å; D493-K495 PolarHBondContact O-N 2.96Å; D493-K495 WeakPolarHBondContact OD1-CB 3.35Å; D493-K495 WeakPolarHBondContact OD1-CG 3.48Å; D493-K495 PolarHBondContact OD1-N 2.81Å; D493-K495 WeakPolarHBondContact OD2-CD 3.26Å; K495-V498 PolarHBondContact O-N 3.12Å; K495-W499 HydrophobicContact CB-CZ2 4.49Å; K495-W499 HydrophobicContact CD-CH2 3.86Å; K495-W499 HydrophobicContact CD-CZ2 4Å; K495-W499 HydrophobicContact CD-CZ3 4.33Å; K495-W499 HydrophobicContact CG-CH2 4.34Å; K495-W499 HydrophobicContact CG-CZ2 4.33Å; K495-W499 HydrophobicContact CG-CZ3 4.46Å; K495-W499 WeakPolarHBondContact O-CB 3.31Å; K495-W499 PolarHBondContact O-N 2.57Å
496	Y	98.6	Very high	98.3	Very high	3 Å²	3	25.2 Å²	25.2	1%	0.012	12%	0.121	C	C	.	.	H	α-helix	trans	-69.5	-36.6	-177.6	-60	-63.3	0	0	0	112.6	T437 Y484 L487 T491 D493 P494 W499 A500 I549	T437-Y496 HydrophobicContact CG2-CE1 4.14Å; Y484-Y496 HydrophobicContact CD1-CD1 4.15Å; L487-Y496 HydrophobicContact CB-CD1 4.03Å; L487-Y496 HydrophobicContact CB-CD2 3.92Å; L487-Y496 HydrophobicContact CB-CE1 3.71Å; L487-Y496 HydrophobicContact CB-CE2 3.59Å; L487-Y496 HydrophobicContact CB-CG 4.13Å; L487-Y496 VanDerWaalsContact CB-CZ 3.47Å; L487-Y496 HydrophobicContact CD1-CE1 3.69Å; L487-Y496 HydrophobicContact CG-CE1 4.29Å; T491-Y496 HydrophobicContact CG2-CE2 4.36Å; T491-Y496 WeakPolarHBondContact OG1-CE2 3.3Å; D493-Y496 HydrophobicContact CB-CD2 3.91Å; D493-Y496 HydrophobicContact CB-CE2 3.77Å; D493-Y496 WeakPolarHBondContact O-CD2 3.21Å; D493-Y496 PolarHBondContact O-N 2.85Å; P494-Y496 PolarHBondContact O-N 3.12Å; Y496-W499 AromaticContact CD1-CE3 3.96Å; Y496-W499 HydrophobicContact CD1-CE3 3.96Å; Y496-W499 HydrophobicContact CD1-CZ3 4.1Å; Y496-W499 HydrophobicContact CE1-CE3 4.28Å; Y496-W499 AromaticContact CE1-CZ3 3.94Å; Y496-W499 HydrophobicContact CE1-CZ3 3.94Å; Y496-A500 WeakPolarHBondContact O-CB 3.33Å; Y496-A500 PolarHBondContact O-N 2.76Å; Y496-I549 WeakPolarHBondContact O-CD1 3.39Å
497	R	98.2	Very high	98.3	Very high	7 Å²	7	25.1 Å²	25.1	3%	0.026	12%	0.121	C	C	.	.	H	α-helix	trans	-69.7	-37	172.3	-79.8	-175.9	166.4	173.3	-0.2	112	F35 W488 P494 W501 I549 F550 S551	F35-R497 HydrophobicContact CD2-CB 3.88Å; F35-R497 HydrophobicContact CE2-CB 3.4Å; F35-R497 VanDerWaalsContact CE2-CB 3.4Å; F35-R497 HydrophobicContact CE2-CG 4.48Å; F35-R497 HydrophobicContact CZ-CB 4.21Å; W488-R497 HydrophobicContact CD2-CG 3.89Å; W488-R497 VanDerWaalsContact CE2-CZ 3.44Å; W488-R497 HydrophobicContact CE3-CG 3.93Å; W488-R497 HydrophobicContact CG-CG 4.37Å; W488-R497 VanDerWaalsContact CZ2-NH1 3.34Å; W488-R497 HydrophobicContact CZ3-CG 4.26Å; P494-R497 PolarHBondContact O-N 3.44Å; R497-W501 WeakPolarHBondContact O-CB 3.07Å; R497-W501 PolarHBondContact O-N 3.37Å; R497-I549 HydrophobicContact CG-CD1 4.41Å; R497-I549 HydrophobicContact CG-CG1 4.03Å; R497-I549 PolarHBondContact NE-O 3.33Å; R497-I549 PolarHBondContact NH2-O 3.48Å; R497-F550 HydrophobicContact CB-CD1 4.4Å; R497-F550 HydrophobicContact CB-CE1 3.84Å; R497-F550 HydrophobicContact CG-CD1 4.16Å; R497-F550 HydrophobicContact CG-CE1 4.06Å; R497-F550 WeakPolarHBondContact O-CE1 3.36Å; R497-F550 VanDerWaalsContact O-CZ 3.25Å; R497-F550 WeakPolarHBondContact O-CZ 3.25Å; R497-S551 PolarHBondContact NH2-O 2.84Å; R497-S551 VanDerWaalsContact NH2-O 3.14Å
498	V	98.4	Very high	98.3	Very high	15 Å²	15	27 Å²	27	9%	0.091	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-47.2	173.9	174	0	0	0	0	110.2	F35 K38 I39 P494 K495 A500 W501 D502	F35-V498 HydrophobicContact CD2-CG2 3.96Å; F35-V498 HydrophobicContact CE2-CG2 4.27Å; K38-V498 HydrophobicContact CB-CG2 3.92Å; K38-V498 HydrophobicContact CD-CG2 4Å; I39-V498 HydrophobicContact CG1-CG2 4.49Å; P494-V498 WeakPolarHBondContact O-CG2 3.41Å; P494-V498 PolarHBondContact O-N 2.87Å; P494-V498 VanDerWaalsContact O-N 3.08Å; K495-V498 PolarHBondContact O-N 3.12Å; V498-A500 PolarHBondContact O-N 3.28Å; V498-W501 WeakPolarHBondContact O-CB 3.34Å; V498-W501 PolarHBondContact O-N 3.23Å; V498-W501 VanDerWaalsContact O-N 3.12Å; V498-D502 PolarHBondContact O-N 2.93Å
499	W	98.7	Very high	98.3	Very high	45 Å²	45	33.1 Å²	33.1	17%	0.17	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-42	178.7	-64.3	-15.1	0	0	0	112.9	D438 R441 Y484 K495 Y496 W501 D502 V503	D438-W499 WeakPolarHBondContact OD1-CH2 3.49Å; R441-W499 HydrophobicContact CB-CD2 4.3Å; R441-W499 HydrophobicContact CB-CE3 4.01Å; R441-W499 HydrophobicContact CB-CH2 4.14Å; R441-W499 HydrophobicContact CB-CZ2 4.45Å; R441-W499 HydrophobicContact CB-CZ3 3.92Å; R441-W499 HydrophobicContact CG-CD2 3.78Å; R441-W499 HydrophobicContact CG-CE3 4.02Å; R441-W499 HydrophobicContact CG-CG 4.24Å; R441-W499 HydrophobicContact CG-CH2 4.12Å; R441-W499 HydrophobicContact CG-CZ2 3.92Å; R441-W499 HydrophobicContact CG-CZ3 4.18Å; R441-W499 PolarHBondContact NH1-O 3.09Å; Y484-W499 HydrophobicContact CD1-CE3 4.06Å; Y484-W499 HydrophobicContact CD2-CB 4Å; Y484-W499 AromaticContact CE1-CE3 3.61Å; Y484-W499 HydrophobicContact CE1-CE3 3.61Å; Y484-W499 HydrophobicContact CE1-CZ3 4.22Å; Y484-W499 HydrophobicContact CE2-CB 3.6Å; Y484-W499 AromaticContact CZ-CE3 3.94Å; K495-W499 HydrophobicContact CB-CZ2 4.49Å; K495-W499 HydrophobicContact CD-CH2 3.86Å; K495-W499 HydrophobicContact CD-CZ2 4Å; K495-W499 HydrophobicContact CD-CZ3 4.33Å; K495-W499 HydrophobicContact CG-CH2 4.34Å; K495-W499 HydrophobicContact CG-CZ2 4.33Å; K495-W499 HydrophobicContact CG-CZ3 4.46Å; K495-W499 WeakPolarHBondContact O-CB 3.31Å; K495-W499 PolarHBondContact O-N 2.57Å; Y496-W499 AromaticContact CD1-CE3 3.96Å; Y496-W499 HydrophobicContact CD1-CE3 3.96Å; Y496-W499 HydrophobicContact CD1-CZ3 4.1Å; Y496-W499 HydrophobicContact CE1-CE3 4.28Å; Y496-W499 AromaticContact CE1-CZ3 3.94Å; Y496-W499 HydrophobicContact CE1-CZ3 3.94Å; W499-W501 PolarHBondContact O-N 3.41Å; W499-D502 WeakPolarHBondContact O-CB 3.35Å; W499-D502 PolarHBondContact O-N 3.37Å; W499-V503 WeakPolarHBondContact O-CG2 3.28Å; W499-V503 PolarHBondContact O-N 2.02Å; W499-V503 VanDerWaalsContact O-N 3.14Å
500	A	98.8	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-35.4	173.1	0	0	0	0	0	112.1	Y484 Y496 V498 V503 V504 L546 I549 F550	Y484-A500 HydrophobicContact CD2-CB 4.37Å; Y496-A500 WeakPolarHBondContact O-CB 3.33Å; Y496-A500 PolarHBondContact O-N 2.76Å; V498-A500 PolarHBondContact O-N 3.28Å; A500-V503 PolarHBondContact O-N 2.71Å; A500-V504 WeakPolarHBondContact O-CG2 3.43Å; A500-V504 PolarHBondContact O-N 2.93Å; A500-L546 HydrophobicContact CB-CD2 3.92Å; A500-I549 HydrophobicContact CB-CD1 3.82Å; A500-I549 HydrophobicContact CB-CG2 3.77Å; A500-F550 HydrophobicContact CB-CE2 4.01Å; A500-F550 HydrophobicContact CB-CZ 3.83Å
501	W	98.5	Very high	98.3	Very high	41 Å²	41	31.9 Å²	31.9	16%	0.155	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-41.3	177	178.4	-123.2	0	0	0	111.5	I39 I128 K131 R497 V498 W499 V503 V504 Q505 F550	I39-W501 HydrophobicContact CD1-CB 4.24Å; I39-W501 HydrophobicContact CD1-CG 4.02Å; I128-W501 HydrophobicContact CB-CE3 4.23Å; I128-W501 HydrophobicContact CB-CZ3 4.31Å; I128-W501 HydrophobicContact CD1-CD2 4.01Å; I128-W501 HydrophobicContact CD1-CE3 4.21Å; I128-W501 HydrophobicContact CD1-CG 4.2Å; I128-W501 HydrophobicContact CG1-CD2 4.1Å; I128-W501 HydrophobicContact CG1-CE3 3.89Å; I128-W501 HydrophobicContact CG1-CH2 4.34Å; I128-W501 HydrophobicContact CG1-CZ3 4Å; I128-W501 HydrophobicContact CG2-CD2 4.22Å; I128-W501 HydrophobicContact CG2-CE3 3.38Å; I128-W501 HydrophobicContact CG2-CZ3 3.71Å; K131-W501 HydrophobicContact CG-CH2 4.45Å; K131-W501 HydrophobicContact CG-CZ3 4.31Å; R497-W501 WeakPolarHBondContact O-CB 3.07Å; R497-W501 PolarHBondContact O-N 3.37Å; V498-W501 WeakPolarHBondContact O-CB 3.34Å; V498-W501 PolarHBondContact O-N 3.23Å; V498-W501 VanDerWaalsContact O-N 3.12Å; W499-W501 PolarHBondContact O-N 3.41Å; W501-V503 PolarHBondContact O-N 2.82Å; W501-V504 HydrophobicContact CE3-CB 3.72Å; W501-V504 HydrophobicContact CE3-CG1 3.72Å; W501-V504 HydrophobicContact CE3-CG2 4.32Å; W501-V504 HydrophobicContact CH2-CG1 4.3Å; W501-V504 HydrophobicContact CZ3-CB 3.92Å; W501-V504 HydrophobicContact CZ3-CG1 3.35Å; W501-V504 WeakPolarHBondContact O-CB 3.41Å; W501-V504 PolarHBondContact O-N 2.88Å; W501-V504 VanDerWaalsContact O-N 3.13Å; W501-Q505 HydrophobicContact CD2-CG 3.97Å; W501-Q505 VanDerWaalsContact CE2-CD 3.48Å; W501-Q505 HydrophobicContact CE3-CG 4.37Å; W501-Q505 HydrophobicContact CH2-CG 4.07Å; W501-Q505 HydrophobicContact CZ2-CG 3.61Å; W501-Q505 HydrophobicContact CZ3-CG 4.43Å; W501-Q505 VanDerWaalsContact NE1-CD 3.29Å; W501-Q505 WeakPolarHBondContact O-CG 3.42Å; W501-Q505 PolarHBondContact O-N 2.92Å; W501-F550 HydrophobicContact CB-CE1 4.44Å; W501-F550 HydrophobicContact CB-CZ 3.86Å
502	D	98.6	Very high	98.3	Very high	38 Å²	38	33.9 Å²	33.9	20%	0.203	15%	0.152	C	C	.	.	H	α-helix	trans	-56.9	-40.7	172.9	-63.8	-21.8	0	0	0	111.4	R441 V498 W499 Q505 A506	R441-D502 IonicContact CZ-OD2 2.71Å; R441-D502 IonicContact NH1-OD2 3.49Å; R441-D502 PolarHBondContact NH1-OD2 3.25Å; R441-D502 IonicContact NH2-OD2 2.81Å; R441-D502 PolarHBondContact NH2-OD2 2.9Å; V498-D502 PolarHBondContact O-N 2.93Å; W499-D502 WeakPolarHBondContact O-CB 3.35Å; W499-D502 PolarHBondContact O-N 3.37Å; D502-Q505 PolarHBondContact O-N 3.46Å; D502-A506 VanDerWaalsContact O-CB 3.31Å; D502-A506 WeakPolarHBondContact O-CB 3.45Å; D502-A506 PolarHBondContact O-N 3.21Å
503	V	98.8	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.3	-45.3	176.3	179	0	0	0	0	111	Y444 V481 Y484 W499 A500 W501 Q505 A506 I507	Y444-V503 HydrophobicContact CD1-CG2 3.85Å; Y444-V503 HydrophobicContact CE1-CG1 4.28Å; Y444-V503 HydrophobicContact CE1-CG2 3.65Å; V481-V503 HydrophobicContact CG1-CB 4.2Å; V481-V503 HydrophobicContact CG1-CG1 3.95Å; V481-V503 HydrophobicContact CG1-CG2 4.09Å; Y484-V503 HydrophobicContact CE2-CG2 4.33Å; W499-V503 WeakPolarHBondContact O-CG2 3.28Å; W499-V503 PolarHBondContact O-N 2.02Å; W499-V503 VanDerWaalsContact O-N 3.14Å; A500-V503 PolarHBondContact O-N 2.71Å; W501-V503 PolarHBondContact O-N 2.82Å; V503-Q505 VanDerWaalsContact C-N 3.32Å; V503-Q505 PolarHBondContact O-N 2.98Å; V503-A506 PolarHBondContact O-N 3.36Å; V503-I507 HydrophobicContact CG1-CD1 3.65Å; V503-I507 HydrophobicContact CG1-CG1 4.18Å; V503-I507 VanDerWaalsContact O-CG1 3.31Å; V503-I507 WeakPolarHBondContact O-CG1 3.28Å; V503-I507 PolarHBondContact O-N 3.25Å
504	V	98.9	Very high	98.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-55.7	-48.2	175.2	169.3	0	0	0	0	111.1	K131 V132 M135 A500 W501 A506 I507 E508 L546 F550	K131-V504 HydrophobicContact CG-CG1 4.37Å; V132-V504 HydrophobicContact CG2-CG2 3.77Å; M135-V504 HydrophobicContact CE-CG1 4.45Å; M135-V504 HydrophobicContact SD-CG1 3.61Å; A500-V504 WeakPolarHBondContact O-CG2 3.43Å; A500-V504 PolarHBondContact O-N 2.93Å; W501-V504 HydrophobicContact CE3-CB 3.72Å; W501-V504 HydrophobicContact CE3-CG1 3.72Å; W501-V504 HydrophobicContact CE3-CG2 4.32Å; W501-V504 HydrophobicContact CH2-CG1 4.3Å; W501-V504 HydrophobicContact CZ3-CB 3.92Å; W501-V504 HydrophobicContact CZ3-CG1 3.35Å; W501-V504 WeakPolarHBondContact O-CB 3.41Å; W501-V504 PolarHBondContact O-N 2.88Å; W501-V504 VanDerWaalsContact O-N 3.13Å; V504-A506 VanDerWaalsContact C-N 3.34Å; V504-A506 PolarHBondContact O-N 3.27Å; V504-I507 PolarHBondContact O-N 2.83Å; V504-E508 WeakPolarHBondContact O-CB 3.17Å; V504-E508 PolarHBondContact O-N 3.4Å; V504-L546 HydrophobicContact CG2-CB 4.39Å; V504-L546 HydrophobicContact CG2-CD1 3.89Å; V504-L546 HydrophobicContact CG2-CD2 3.84Å; V504-L546 HydrophobicContact CG2-CG 4.25Å; V504-F550 HydrophobicContact CG2-CE2 4.38Å
505	Q	98.7	Very high	98.5	Very high	85 Å²	85	35.7 Å²	35.7	40%	0.397	17%	0.166	S	C	.	.	H	α-helix	trans	-64	-40	179.8	-66.9	-175.9	-71.4	0	0	112	W501 D502 V503 K509	W501-Q505 HydrophobicContact CD2-CG 3.97Å; W501-Q505 VanDerWaalsContact CE2-CD 3.48Å; W501-Q505 HydrophobicContact CE3-CG 4.37Å; W501-Q505 HydrophobicContact CH2-CG 4.07Å; W501-Q505 HydrophobicContact CZ2-CG 3.61Å; W501-Q505 HydrophobicContact CZ3-CG 4.43Å; W501-Q505 VanDerWaalsContact NE1-CD 3.29Å; W501-Q505 WeakPolarHBondContact O-CG 3.42Å; W501-Q505 PolarHBondContact O-N 2.92Å; D502-Q505 PolarHBondContact O-N 3.46Å; V503-Q505 VanDerWaalsContact C-N 3.32Å; V503-Q505 PolarHBondContact O-N 2.98Å; Q505-K509 VanDerWaalsContact O-CB 3.25Å; Q505-K509 WeakPolarHBondContact O-CB 3.49Å; Q505-K509 PolarHBondContact O-N 2.94Å
506	A	98.8	Very high	98.5	Very high	8 Å²	8	34.1 Å²	34.1	7%	0.066	16%	0.158	C	C	.	.	H	α-helix	trans	-67.8	-43.3	178.5	0	0	0	0	0	112.2	T449 L451 D502 V503 V504 K509 Y510	T449-A506 WeakPolarHBondContact O-CB 3.46Å; L451-A506 HydrophobicContact CD2-CB 3.55Å; L451-A506 HydrophobicContact CG-CB 3.85Å; D502-A506 VanDerWaalsContact O-CB 3.31Å; D502-A506 WeakPolarHBondContact O-CB 3.45Å; D502-A506 PolarHBondContact O-N 3.21Å; V503-A506 PolarHBondContact O-N 3.36Å; V504-A506 VanDerWaalsContact C-N 3.34Å; V504-A506 PolarHBondContact O-N 3.27Å; A506-K509 PolarHBondContact O-N 2.97Å; A506-Y510 HydrophobicContact CB-CD2 4.43Å; A506-Y510 VanDerWaalsContact O-CD2 3.31Å; A506-Y510 WeakPolarHBondContact O-CD2 3.45Å; A506-Y510 PolarHBondContact O-N 3.39Å
507	I	98.8	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-60.4	-49	175	-69.7	170.3	0	0	0	110	M135 L451 Y474 V503 V504 K509 A511 R512 Y517 F538 T542 L546	M135-I507 HydrophobicContact CE-CB 4.19Å; M135-I507 HydrophobicContact CE-CG2 3.66Å; L451-I507 HydrophobicContact CD2-CG1 3.82Å; Y474-I507 HydrophobicContact CE1-CG1 4.38Å; V503-I507 HydrophobicContact CG1-CD1 3.65Å; V503-I507 HydrophobicContact CG1-CG1 4.18Å; V503-I507 VanDerWaalsContact O-CG1 3.31Å; V503-I507 WeakPolarHBondContact O-CG1 3.28Å; V503-I507 PolarHBondContact O-N 3.25Å; V504-I507 PolarHBondContact O-N 2.83Å; I507-K509 PolarHBondContact O-N 2.78Å; I507-A511 HydrophobicContact CG2-CB 4.16Å; I507-A511 WeakPolarHBondContact O-CA 3.39Å; I507-A511 WeakPolarHBondContact O-CB 3.29Å; I507-A511 PolarHBondContact O-N 3.06Å; I507-R512 PolarHBondContact O-N 3.44Å; I507-R512 VanDerWaalsContact O-N 3.1Å; I507-Y517 HydrophobicContact CG2-CD1 3.52Å; I507-Y517 HydrophobicContact CG2-CE1 3.71Å; I507-Y517 HydrophobicContact CG2-CG 4.44Å; I507-F538 HydrophobicContact CD1-CE2 4.31Å; I507-F538 HydrophobicContact CG2-CE2 4.18Å; I507-F538 HydrophobicContact CG2-CZ 4.09Å; I507-T542 HydrophobicContact CD1-CG2 4.1Å; I507-L546 HydrophobicContact CD1-CD1 4.17Å
508	E	98.6	Very high	98.6	Very high	40 Å²	40	33.6 Å²	33.6	19%	0.187	16%	0.157	C	C	.	.	I	π-helix	trans	-59.2	-35.5	177.8	-84.4	-69.5	107.3	0	0	113.2	K131 M135 V504 R512 Y517	K131-E508 VanDerWaalsContact CE-OE2 3.25Å; K131-E508 WeakPolarHBondContact CE-OE2 3.48Å; K131-E508 IonicContact NZ-OE2 3.22Å; K131-E508 PolarHBondContact NZ-OE2 3.11Å; M135-E508 HydrophobicContact CE-CG 4.01Å; M135-E508 HydrophobicContact CG-CG 4.26Å; M135-E508 HydrophobicContact SD-CG 3.89Å; V504-E508 WeakPolarHBondContact O-CB 3.17Å; V504-E508 PolarHBondContact O-N 3.4Å; E508-R512 WeakPolarHBondContact O-CB 3.37Å; E508-R512 IonicContact OE1-CZ 3.51Å; E508-R512 IonicContact OE1-NH1 3.86Å; E508-R512 PolarHBondContact OE1-NH1 3.44Å; E508-R512 IonicContact OE2-CZ 3.88Å; E508-R512 IonicContact OE2-NH1 3.94Å; E508-R512 PolarHBondContact OE2-NH1 3Å; E508-Y517 VanDerWaalsContact OE1-CE1 3.26Å; E508-Y517 WeakPolarHBondContact OE1-CE1 3.35Å; E508-Y517 VanDerWaalsContact OE1-CZ 3.28Å; E508-Y517 PolarHBondContact OE1-OH 3.41Å
509	K	98.5	Very high	98.5	Very high	146 Å²	146	32.9 Å²	32.9	64%	0.635	15%	0.152	S	C	*	.	I	π-helix	trans	-82.3	-40.4	-176.2	-175	172.6	178	-169.3	0	113.3	Q505 A506 I507	Q505-K509 VanDerWaalsContact O-CB 3.25Å; Q505-K509 WeakPolarHBondContact O-CB 3.49Å; Q505-K509 PolarHBondContact O-N 2.94Å; A506-K509 PolarHBondContact O-N 2.97Å; I507-K509 PolarHBondContact O-N 2.78Å
510	Y	98.5	Very high	98.5	Very high	45 Å²	45	30.8 Å²	30.8	18%	0.176	14%	0.144	C	C	.	.	I	π-helix	trans	-116.3	-22.9	-167.6	-55.6	-71.5	0	0	0	114.5	T449 A506 I526 L530	T449-Y510 HydrophobicContact CG2-CD1 4.16Å; T449-Y510 HydrophobicContact CG2-CD2 4.21Å; T449-Y510 HydrophobicContact CG2-CE1 4.47Å; T449-Y510 HydrophobicContact CG2-CG 4.02Å; T449-Y510 VanDerWaalsContact O-CD2 3.24Å; T449-Y510 WeakPolarHBondContact O-CD2 3.41Å; T449-Y510 WeakPolarHBondContact O-CE2 3.42Å; A506-Y510 HydrophobicContact CB-CD2 4.43Å; A506-Y510 VanDerWaalsContact O-CD2 3.31Å; A506-Y510 WeakPolarHBondContact O-CD2 3.45Å; A506-Y510 PolarHBondContact O-N 3.39Å; Y510-I526 HydrophobicContact CE1-CB 4.14Å; Y510-I526 HydrophobicContact CE1-CG2 4.32Å; Y510-L530 WeakPolarHBondContact O-CD2 3.4Å
511	A	98.6	Very high	98.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-103.2	-18.6	-179.8	0	0	0	0	0	113.1	L476 I507 Y517 S518 L520	L476-A511 HydrophobicContact CD2-CB 3.93Å; I507-A511 HydrophobicContact CG2-CB 4.16Å; I507-A511 WeakPolarHBondContact O-CA 3.39Å; I507-A511 WeakPolarHBondContact O-CB 3.29Å; I507-A511 PolarHBondContact O-N 3.06Å; A511-Y517 HydrophobicContact CB-CD1 4.43Å; A511-Y517 CarbonylContact O-C 3.6Å; A511-Y517 VanDerWaalsContact O-CA 3.29Å; A511-Y517 WeakPolarHBondContact O-CA 3.29Å; A511-S518 VanDerWaalsContact CB-O 3.23Å; A511-S518 WeakPolarHBondContact CB-O 3.39Å; A511-S518 PolarHBondContact O-N 3.29Å; A511-L520 HydrophobicContact CB-CD1 4.06Å
512	R	98.6	Very high	98.5	Very high	73 Å²	73	33.5 Å²	33.5	28%	0.275	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-69.4	130.6	-179.6	-167.7	-179.4	-178.8	108.9	-1.2	111.7	E134 F138 I507 E508 Y517	E134-R512 IonicContact OE1-CZ 3.34Å; E134-R512 IonicContact OE1-NH1 3.1Å; E134-R512 IonicContact OE1-NH2 3.23Å; E134-R512 PolarHBondContact OE1-NH2 2.86Å; E134-R512 IonicContact OE2-NH1 3.2Å; F138-R512 HydrophobicContact CD1-CG 4.42Å; F138-R512 VanDerWaalsContact CD1-CZ 3.48Å; F138-R512 HydrophobicContact CE1-CG 3.8Å; F138-R512 HydrophobicContact CZ-CG 4.48Å; I507-R512 PolarHBondContact O-N 3.44Å; I507-R512 VanDerWaalsContact O-N 3.1Å; E508-R512 WeakPolarHBondContact O-CB 3.37Å; E508-R512 IonicContact OE1-CZ 3.51Å; E508-R512 IonicContact OE1-NH1 3.86Å; E508-R512 PolarHBondContact OE1-NH1 3.44Å; E508-R512 IonicContact OE2-CZ 3.88Å; E508-R512 IonicContact OE2-NH1 3.94Å; E508-R512 PolarHBondContact OE2-NH1 3Å; R512-Y517 HydrophobicContact CB-CD1 4.04Å; R512-Y517 HydrophobicContact CB-CE1 3.77Å; R512-Y517 HydrophobicContact CG-CD1 4.43Å; R512-Y517 HydrophobicContact CG-CE1 3.92Å; R512-Y517 PolarHBondContact NH1-OH 3.29Å
513	T	98.3	Very high	98.5	Very high	18 Å²	18	31.7 Å²	31.7	11%	0.11	15%	0.15	C	C	.	.			trans	-111.2	-169.2	174	77.2	0	0	0	0	111	F138 P155 V156 A515 G516 L530	F138-T513 VanDerWaalsContact CZ-O 3.23Å; F138-T513 WeakPolarHBondContact CZ-O 3.48Å; P155-T513 HydrophobicContact CB-CG2 4.16Å; P155-T513 HydrophobicContact CG-CG2 4.12Å; P155-T513 PolarHBondContact O-OG1 3.29Å; V156-T513 HydrophobicContact CG2-CG2 4Å; T513-A515 VanDerWaalsContact C-N 3.31Å; T513-A515 PolarHBondContact OG1-N 3.14Å; T513-G516 WeakPolarHBondContact CB-O 3.18Å; T513-G516 PolarHBondContact N-O 2.99Å; T513-G516 PolarHBondContact OG1-N 3.45Å; T513-G516 VanDerWaalsContact OG1-N 3.14Å; T513-G516 PolarHBondContact OG1-O 3.46Å; T513-L530 HydrophobicContact CG2-CD1 3.56Å
514	N	97.7	Very high	98.4	Very high	148 Å²	148	33.3 Å²	33.3	79%	0.791	16%	0.156	S	C	*	.	S	Bend	trans	-76.4	-13.5	171.8	-71.1	-31	0	0	0	114.2
515	A	97.8	Very high	98.4	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	17%	0.17	C	C	.	.	S	Bend	trans	-139.6	18.4	-172.2	0	0	0	0	0	114.1	G142 Y146 L153 P155 K158 T513	G142-A515 WeakPolarHBondContact CA-O 3.42Å; Y146-A515 HydrophobicContact CD2-CB 3.69Å; Y146-A515 HydrophobicContact CE2-CB 3.42Å; Y146-A515 VanDerWaalsContact CE2-CB 3.42Å; L153-A515 VanDerWaalsContact CD2-O 3.28Å; L153-A515 WeakPolarHBondContact CD2-O 3.28Å; P155-A515 WeakPolarHBondContact O-CB 3.47Å; K158-A515 HydrophobicContact CD-CB 4.49Å; K158-A515 HydrophobicContact CG-CB 3.97Å; T513-A515 VanDerWaalsContact C-N 3.31Å; T513-A515 PolarHBondContact OG1-N 3.14Å
516	G	98.6	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	146.5	-157.9	-176.9	0	0	0	0	0	111.1	T513 Q534	T513-G516 WeakPolarHBondContact CB-O 3.18Å; T513-G516 PolarHBondContact N-O 2.99Å; T513-G516 PolarHBondContact OG1-N 3.45Å; T513-G516 VanDerWaalsContact OG1-N 3.14Å; T513-G516 PolarHBondContact OG1-O 3.46Å; G516-Q534 VanDerWaalsContact CA-OE1 3.28Å
517	Y	98.8	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-120.9	143.5	-179.9	-61.3	-96.7	0	0	0	111	M135 F138 A139 P155 I507 E508 A511 R512 Q534 F538	M135-Y517 WeakPolarHBondContact CA-OH 3.45Å; M135-Y517 HydrophobicContact CB-CE2 4.38Å; M135-Y517 VanDerWaalsContact CB-OH 3.23Å; M135-Y517 WeakPolarHBondContact CB-OH 3.35Å; M135-Y517 HydrophobicContact CE-CE1 4.07Å; M135-Y517 VanDerWaalsContact CG-OH 3.26Å; M135-Y517 WeakPolarHBondContact CG-OH 3.49Å; F138-Y517 HydrophobicContact CD1-CD2 4.36Å; F138-Y517 AromaticContact CD1-CE2 3.65Å; F138-Y517 HydrophobicContact CD1-CE2 3.65Å; F138-Y517 AromaticContact CD1-CZ 3.96Å; F138-Y517 HydrophobicContact CE1-CE2 4.39Å; A139-Y517 HydrophobicContact CB-CD2 3.87Å; A139-Y517 HydrophobicContact CB-CE2 3.96Å; P155-Y517 WeakPolarHBondContact CG-O 3.48Å; I507-Y517 HydrophobicContact CG2-CD1 3.52Å; I507-Y517 HydrophobicContact CG2-CE1 3.71Å; I507-Y517 HydrophobicContact CG2-CG 4.44Å; E508-Y517 VanDerWaalsContact OE1-CE1 3.26Å; E508-Y517 WeakPolarHBondContact OE1-CE1 3.35Å; E508-Y517 VanDerWaalsContact OE1-CZ 3.28Å; E508-Y517 PolarHBondContact OE1-OH 3.41Å; A511-Y517 HydrophobicContact CB-CD1 4.43Å; A511-Y517 CarbonylContact O-C 3.6Å; A511-Y517 VanDerWaalsContact O-CA 3.29Å; A511-Y517 WeakPolarHBondContact O-CA 3.29Å; R512-Y517 HydrophobicContact CB-CD1 4.04Å; R512-Y517 HydrophobicContact CB-CE1 3.77Å; R512-Y517 HydrophobicContact CG-CD1 4.43Å; R512-Y517 HydrophobicContact CG-CE1 3.92Å; R512-Y517 PolarHBondContact NH1-OH 3.29Å; Y517-Q534 WeakPolarHBondContact O-CA 3.43Å; Y517-Q534 WeakPolarHBondContact O-CB 3.33Å; Y517-Q534 WeakPolarHBondContact O-CG 3.29Å; Y517-F538 HydrophobicContact CD1-CE1 4.42Å; Y517-F538 HydrophobicContact CD1-CZ 4.05Å; Y517-F538 HydrophobicContact CD2-CD1 4.32Å; Y517-F538 AromaticContact CD2-CE1 3.26Å; Y517-F538 HydrophobicContact CD2-CE1 3.26Å; Y517-F538 AromaticContact CD2-CZ 3.68Å; Y517-F538 HydrophobicContact CD2-CZ 3.68Å; Y517-F538 AromaticContact CE2-CE1 3.94Å; Y517-F538 HydrophobicContact CE2-CE1 3.94Å; Y517-F538 HydrophobicContact CE2-CZ 4.17Å; Y517-F538 AromaticContact CG-CE1 3.53Å; Y517-F538 HydrophobicContact CG-CE1 3.53Å; Y517-F538 AromaticContact CG-CZ 3.58Å; Y517-F538 HydrophobicContact CG-CZ 3.58Å
518	S	98.7	Very high	98	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.			trans	-125.8	151.5	179.8	-157.3	0	0	0	0	110.5	A511 D531 D532 V533	A511-S518 VanDerWaalsContact CB-O 3.23Å; A511-S518 WeakPolarHBondContact CB-O 3.39Å; A511-S518 PolarHBondContact O-N 3.29Å; S518-D531 PolarHBondContact OG-OD1 3.13Å; S518-D532 WeakPolarHBondContact OG-CA 3.46Å; S518-D532 PolarHBondContact OG-N 2.75Å; S518-V533 WeakPolarHBondContact CA-O 3.5Å; S518-V533 PolarHBondContact OG-N 2.69Å
519	G	98.1	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.236	C	C	.	.			trans	-63.4	167.7	163.4	0	0	0	0	0	113.2	Y474 L530 D531 V533	Y474-G519 CarbonylContact O-C 3.52Å; Y474-G519 WeakPolarHBondContact O-CA 3.28Å; G519-L530 CarbonylContact O-C 3.59Å; G519-L530 VanDerWaalsContact O-CA 3.26Å; G519-L530 WeakPolarHBondContact O-CA 3.37Å; G519-D531 VanDerWaalsContact CA-CG 3.49Å; G519-D531 VanDerWaalsContact CA-OD1 3.23Å; G519-D531 WeakPolarHBondContact CA-OD1 3.47Å; G519-D531 WeakPolarHBondContact CA-OD2 3.36Å; G519-D531 PolarHBondContact N-OD1 3.12Å; G519-D531 PolarHBondContact O-N 2.82Å; G519-V533 PolarHBondContact N-O 3.25Å
520	L	98.5	Very high	97.9	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-114	146.1	179.1	-65.7	78.8	0	0	0	109.6	T449 L451 M473 Y474 A511 L530	T449-L520 HydrophobicContact CG2-CD2 3.85Å; L451-L520 HydrophobicContact CD1-CD1 3.63Å; L451-L520 HydrophobicContact CD1-CD2 4.17Å; M473-L520 CarbonylContact C-O 3.58Å; M473-L520 VanDerWaalsContact CA-O 3.22Å; M473-L520 WeakPolarHBondContact CA-O 3.49Å; Y474-L520 HydrophobicContact CD1-CD1 3.67Å; Y474-L520 HydrophobicContact CG-CD1 4.41Å; Y474-L520 PolarHBondContact N-O 3.4Å; Y474-L520 PolarHBondContact O-N 3.24Å; A511-L520 HydrophobicContact CB-CD1 4.06Å; L520-L530 HydrophobicContact CG-CD2 4.3Å
521	H	98.2	Very high	97.9	Very high	71 Å²	71	40.4 Å²	40.4	33%	0.329	22%	0.215	S	C	.	.	S	Bend	trans	-79.4	-22	172.9	-76.1	-61.8	0	0	0	114	Q469 T529 L530	Q469-H521 PolarHBondContact NE2-O 2.92Å; Q469-H521 VanDerWaalsContact NE2-O 3.11Å; H521-T529 PolarHBondContact CD2-OG1 2.98Å; H521-T529 PolarHBondContact N-O 3.41Å; H521-L530 PolarHBondContact NE2-O 3.39Å
522	D	98.3	Very high	97.8	Very high	26 Å²	26	41.8 Å²	41.8	14%	0.139	22%	0.222	C	C	.	.			trans	-152.2	110	-179.2	-167.6	-28	0	0	0	111.9	K472 Y524 S525 S528	K472-D522 HydrophobicContact CB-CB 4.41Å; K472-D522 VanDerWaalsContact CD-OD2 3.3Å; K472-D522 WeakPolarHBondContact CD-OD2 3.38Å; K472-D522 IonicContact NZ-OD2 3.11Å; K472-D522 WeakPolarHBondContact O-CA 3.36Å; D522-Y524 VanDerWaalsContact C-N 3.25Å; D522-Y524 PolarHBondContact O-N 2.92Å; D522-Y524 WeakPolarHBondContact OD1-CA 3.35Å; D522-Y524 WeakPolarHBondContact OD1-CB 3.47Å; D522-Y524 PolarHBondContact OD1-N 2.98Å; D522-S525 PolarHBondContact O-N 3.19Å; D522-S528 WeakPolarHBondContact CA-OG 3.17Å; D522-S528 PolarHBondContact N-OG 3.3Å; D522-S528 WeakPolarHBondContact O-CB 3.08Å; D522-S528 PolarHBondContact O-OG 3.49Å
523	V	98.4	Very high	97.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.2	177.8	-64.4	0	0	0	0	114.6	A447 S448 T449 L451 P453 K472	A447-V523 HydrophobicContact CB-CB 3.95Å; A447-V523 HydrophobicContact CB-CG2 3.88Å; S448-V523 PolarHBondContact N-O 3.48Å; T449-V523 WeakPolarHBondContact CB-O 3.38Å; T449-V523 VanDerWaalsContact CG2-O 3.24Å; T449-V523 WeakPolarHBondContact CG2-O 3.45Å; T449-V523 PolarHBondContact N-O 3.47Å; T449-V523 VanDerWaalsContact N-O 3.08Å; T449-V523 PolarHBondContact OG1-O 3.45Å; L451-V523 HydrophobicContact CB-CG1 4.19Å; L451-V523 WeakPolarHBondContact O-CB 3.1Å; P453-V523 HydrophobicContact CB-CG2 3.85Å; P453-V523 HydrophobicContact CG-CG2 4.42Å; K472-V523 WeakPolarHBondContact O-CG1 3.29Å; K472-V523 PolarHBondContact O-N 2.94Å
524	Y	98.1	Very high	97.8	Very high	34 Å²	34	38.1 Å²	38.1	13%	0.133	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.7	177	-56.1	-70.5	0	0	0	113	S446 A447 S448 I465 A466 K472 D522	S446-Y524 WeakPolarHBondContact O-CE1 3.39Å; A447-Y524 HydrophobicContact CB-CD1 4.37Å; A447-Y524 HydrophobicContact CB-CE1 4.18Å; S448-Y524 WeakPolarHBondContact CB-O 3.38Å; S448-Y524 PolarHBondContact OG-O 3.47Å; I465-Y524 WeakPolarHBondContact CA-OH 3.45Å; I465-Y524 WeakPolarHBondContact CB-OH 3.31Å; I465-Y524 HydrophobicContact CG2-CE1 4.42Å; A466-Y524 HydrophobicContact CB-CE2 3.83Å; A466-Y524 PolarHBondContact N-OH 2.99Å; K472-Y524 HydrophobicContact CB-CD2 4.4Å; K472-Y524 HydrophobicContact CD-CD2 4.05Å; K472-Y524 HydrophobicContact CG-CD2 3.9Å; K472-Y524 HydrophobicContact CG-CE2 3.95Å; D522-Y524 VanDerWaalsContact C-N 3.25Å; D522-Y524 PolarHBondContact O-N 2.92Å; D522-Y524 WeakPolarHBondContact OD1-CA 3.35Å; D522-Y524 WeakPolarHBondContact OD1-CB 3.47Å; D522-Y524 PolarHBondContact OD1-N 2.98Å
525	S	97.4	Very high	97.9	Very high	43 Å²	43	31.2 Å²	31.2	30%	0.301	17%	0.171	S	C	.	.			trans	-105.3	120.4	173.7	-177.1	0	0	0	0	111.1	T449 D522 N527 S528	T449-S525 WeakPolarHBondContact CG2-O 3.48Å; D522-S525 PolarHBondContact O-N 3.19Å; S525-N527 PolarHBondContact O-N 3.37Å; S525-N527 PolarHBondContact OG-N 3.21Å; S525-S528 WeakPolarHBondContact O-CB 3.46Å; S525-S528 PolarHBondContact O-N 3.47Å; S525-S528 PolarHBondContact OG-N 3.12Å
526	I	97.1	Very high	97.9	Very high	101 Å²	101	31.1 Å²	31.1	52%	0.518	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-15	172.6	62.2	167.7	0	0	0	113.2	Y510	Y510-I526 HydrophobicContact CE1-CB 4.14Å; Y510-I526 HydrophobicContact CE1-CG2 4.32Å
527	N	95.7	Very high	97.9	Very high	137 Å²	137	31.9 Å²	31.9	73%	0.733	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	32.8	175.5	-62.1	-40.4	0	0	0	110.4	S525	S525-N527 PolarHBondContact O-N 3.37Å; S525-N527 PolarHBondContact OG-N 3.21Å
528	S	96.4	Very high	97.9	Very high	25 Å²	25	31.9 Å²	31.9	18%	0.175	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-57	141.2	179.6	-150.3	0	0	0	0	111.5	D522 S525	D522-S528 WeakPolarHBondContact CA-OG 3.17Å; D522-S528 PolarHBondContact N-OG 3.3Å; D522-S528 WeakPolarHBondContact O-CB 3.08Å; D522-S528 PolarHBondContact O-OG 3.49Å; S525-S528 WeakPolarHBondContact O-CB 3.46Å; S525-S528 PolarHBondContact O-N 3.47Å; S525-S528 PolarHBondContact OG-N 3.12Å
529	T	96.9	Very high	97.9	Very high	98 Å²	98	31.9 Å²	31.9	60%	0.601	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-74.4	148.8	166.2	49	0	0	0	0	110.2	H521	H521-T529 PolarHBondContact CD2-OG1 2.98Å; H521-T529 PolarHBondContact N-O 3.41Å
530	L	98	Very high	97.9	Very high	50 Å²	50	31.9 Å²	31.9	26%	0.262	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-88.6	149.7	179.6	-58.3	178.3	0	0	0	111.4	V156 Y510 T513 G519 L520 H521 D532	V156-L530 HydrophobicContact CG2-CB 4.07Å; V156-L530 HydrophobicContact CG2-CD1 3.79Å; Y510-L530 WeakPolarHBondContact O-CD2 3.4Å; T513-L530 HydrophobicContact CG2-CD1 3.56Å; G519-L530 CarbonylContact O-C 3.59Å; G519-L530 VanDerWaalsContact O-CA 3.26Å; G519-L530 WeakPolarHBondContact O-CA 3.37Å; L520-L530 HydrophobicContact CG-CD2 4.3Å; H521-L530 PolarHBondContact NE2-O 3.39Å; L530-D532 VanDerWaalsContact C-N 3.28Å; L530-D532 PolarHBondContact O-N 2.95Å
531	D	96.9	Very high	97.9	Very high	21 Å²	21	32.2 Å²	32.2	11%	0.112	17%	0.174	C	C	.	.			trans	-79.7	-8.3	179.1	71.7	-11	0	0	0	114.5	M473 L475 S518 G519 V533	M473-D531 HydrophobicContact CE-CB 4.46Å; L475-D531 WeakPolarHBondContact CD2-OD2 2.98Å; S518-D531 PolarHBondContact OG-OD1 3.13Å; G519-D531 VanDerWaalsContact CA-CG 3.49Å; G519-D531 VanDerWaalsContact CA-OD1 3.23Å; G519-D531 WeakPolarHBondContact CA-OD1 3.47Å; G519-D531 WeakPolarHBondContact CA-OD2 3.36Å; G519-D531 PolarHBondContact N-OD1 3.12Å; G519-D531 PolarHBondContact O-N 2.82Å; D531-V533 PolarHBondContact OD1-N 3.09Å
532	D	98.3	Very high	97.9	Very high	28 Å²	28	28.9 Å²	28.9	15%	0.15	16%	0.159	C	C	.	.			trans	55.6	43.8	-175.7	-166.4	26.6	0	0	0	114.1	R154 P155 V156 S157 S518 L530	R154-D532 WeakPolarHBondContact CA-O 3.07Å; R154-D532 WeakPolarHBondContact CA-OD1 3.17Å; R154-D532 WeakPolarHBondContact CB-O 3.4Å; R154-D532 WeakPolarHBondContact CB-OD1 3.42Å; R154-D532 WeakPolarHBondContact CG-O 3.39Å; R154-D532 PolarHBondContact NH1-O 2.92Å; P155-D532 WeakPolarHBondContact CD-OD1 2.93Å; P155-D532 VanDerWaalsContact N-OD1 3.11Å; V156-D532 VanDerWaalsContact CA-OD1 3.29Å; V156-D532 WeakPolarHBondContact CA-OD1 3.47Å; V156-D532 HydrophobicContact CB-CB 4.07Å; V156-D532 WeakPolarHBondContact CB-OD1 3.45Å; V156-D532 HydrophobicContact CG2-CB 4.18Å; V156-D532 PolarHBondContact N-OD1 3.2Å; S157-D532 WeakPolarHBondContact CB-OD2 3.47Å; S157-D532 PolarHBondContact N-OD1 3.05Å; S157-D532 VanDerWaalsContact N-OD1 3.11Å; S157-D532 PolarHBondContact N-OD2 2.9Å; S157-D532 PolarHBondContact OG-OD2 3.3Å; S518-D532 WeakPolarHBondContact OG-CA 3.46Å; S518-D532 PolarHBondContact OG-N 2.75Å; L530-D532 VanDerWaalsContact C-N 3.28Å; L530-D532 PolarHBondContact O-N 2.95Å
533	V	98.1	Very high	98	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.085	15%	0.152	C	C	.	.			trans	-136	125.5	173	-173.3	0	0	0	0	110.8	S518 G519 D531 Q535	S518-V533 WeakPolarHBondContact CA-O 3.5Å; S518-V533 PolarHBondContact OG-N 2.69Å; G519-V533 PolarHBondContact N-O 3.25Å; D531-V533 PolarHBondContact OD1-N 3.09Å; V533-Q535 HydrophobicContact CG1-CG 3.87Å; V533-Q535 PolarHBondContact O-OE1 3.01Å
534	Q	98.5	Very high	98	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-104.3	96.5	163.8	-170.9	178.8	-92.4	0	0	107.9	A139 L153 P155 G516 Y517 F538 L539	A139-Q534 PolarHBondContact O-NE2 3.06Å; L153-Q534 HydrophobicContact CB-CB 4.16Å; L153-Q534 HydrophobicContact CD2-CB 4.42Å; L153-Q534 PolarHBondContact O-N 3.39Å; P155-Q534 HydrophobicContact CG-CB 4.41Å; G516-Q534 VanDerWaalsContact CA-OE1 3.28Å; Y517-Q534 WeakPolarHBondContact O-CA 3.43Å; Y517-Q534 WeakPolarHBondContact O-CB 3.33Å; Y517-Q534 WeakPolarHBondContact O-CG 3.29Å; Q534-F538 HydrophobicContact CG-CD1 4.12Å; Q534-L539 HydrophobicContact CG-CD1 4.09Å
535	Q	98.2	Very high	98	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.019	15%	0.146	C	C	.	.			trans	-65.8	150.8	-180	-60.3	86.6	-12.9	0	0	111.2	E152 L475 V533 Y537 F538	E152-Q535 WeakPolarHBondContact OE1-CA 3.29Å; L475-Q535 PolarHBondContact O-OE1 3.34Å; V533-Q535 HydrophobicContact CG1-CG 3.87Å; V533-Q535 PolarHBondContact O-OE1 3.01Å; Q535-Y537 VanDerWaalsContact C-N 3.29Å; Q535-Y537 HydrophobicContact CB-CD1 3.68Å; Q535-Y537 HydrophobicContact CB-CD2 4.09Å; Q535-Y537 HydrophobicContact CB-CE1 3.32Å; Q535-Y537 HydrophobicContact CB-CE2 3.73Å; Q535-Y537 HydrophobicContact CB-CG 4.05Å; Q535-Y537 VanDerWaalsContact CD-OH 3.23Å; Q535-Y537 HydrophobicContact CG-CD1 4.41Å; Q535-Y537 HydrophobicContact CG-CE1 3.57Å; Q535-Y537 HydrophobicContact CG-CE2 4.19Å; Q535-Y537 VanDerWaalsContact CG-CZ 3.42Å; Q535-Y537 VanDerWaalsContact CG-OH 3.27Å; Q535-Y537 WeakPolarHBondContact CG-OH 3.32Å; Q535-Y537 PolarHBondContact NE2-OH 3.43Å; Q535-Y537 PolarHBondContact O-N 3.3Å; Q535-F538 WeakPolarHBondContact O-CB 3.41Å; Q535-F538 PolarHBondContact O-N 3.19Å; Q535-F538 VanDerWaalsContact O-N 3.1Å
536	S	98.4	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.1	-37.7	-178.2	65.7	0	0	0	0	112.4	E152 D177 R218 F538 L539 A540	E152-S536 PolarHBondContact OE1-N 3.08Å; D177-S536 WeakPolarHBondContact OD2-CB 3.34Å; D177-S536 PolarHBondContact OD2-OG 3Å; R218-S536 PolarHBondContact NH1-OG 2.85Å; S536-F538 PolarHBondContact O-N 3.43Å; S536-F538 VanDerWaalsContact O-N 3.13Å; S536-L539 PolarHBondContact O-N 2.95Å; S536-L539 VanDerWaalsContact O-N 3.07Å; S536-A540 PolarHBondContact O-N 3.09Å; S536-A540 VanDerWaalsContact O-N 3.1Å
537	Y	98.1	Very high	98.2	Very high	17 Å²	17	19.3 Å²	19.3	7%	0.067	11%	0.107	C	C	.	.	H	α-helix	trans	-59.7	-23.1	175.8	55.1	-108.6	0	0	0	114	L475 L476 R477 Q535 L539 A540 E541 T542	L475-Y537 WeakPolarHBondContact O-CE2 3.46Å; L475-Y537 VanDerWaalsContact O-CZ 3.27Å; L475-Y537 PolarHBondContact O-OH 2.73Å; L476-Y537 HydrophobicContact CB-CE2 4.36Å; R477-Y537 HydrophobicContact CG-CE2 4.28Å; Q535-Y537 VanDerWaalsContact C-N 3.29Å; Q535-Y537 HydrophobicContact CB-CD1 3.68Å; Q535-Y537 HydrophobicContact CB-CD2 4.09Å; Q535-Y537 HydrophobicContact CB-CE1 3.32Å; Q535-Y537 HydrophobicContact CB-CE2 3.73Å; Q535-Y537 HydrophobicContact CB-CG 4.05Å; Q535-Y537 VanDerWaalsContact CD-OH 3.23Å; Q535-Y537 HydrophobicContact CG-CD1 4.41Å; Q535-Y537 HydrophobicContact CG-CE1 3.57Å; Q535-Y537 HydrophobicContact CG-CE2 4.19Å; Q535-Y537 VanDerWaalsContact CG-CZ 3.42Å; Q535-Y537 VanDerWaalsContact CG-OH 3.27Å; Q535-Y537 WeakPolarHBondContact CG-OH 3.32Å; Q535-Y537 PolarHBondContact NE2-OH 3.43Å; Q535-Y537 PolarHBondContact O-N 3.3Å; Y537-L539 PolarHBondContact O-N 3.45Å; Y537-A540 PolarHBondContact O-N 3.4Å; Y537-E541 WeakPolarHBondContact CB-OE1 3.46Å; Y537-E541 WeakPolarHBondContact O-CA 3.48Å; Y537-E541 VanDerWaalsContact O-CB 3.24Å; Y537-E541 WeakPolarHBondContact O-CB 3.4Å; Y537-E541 PolarHBondContact O-N 3.48Å; Y537-T542 PolarHBondContact O-N 2.87Å
538	F	98.8	Very high	98.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	I	π-helix	trans	-60.6	-39.6	177	174.7	-111.3	0	0	0	110.7	A139 L476 I507 Y517 Q534 Q535 S536 T542 L543	A139-F538 HydrophobicContact CB-CD1 4.49Å; A139-F538 HydrophobicContact CB-CE1 4.11Å; L476-F538 HydrophobicContact CB-CB 4.04Å; L476-F538 HydrophobicContact CB-CD2 3.71Å; L476-F538 HydrophobicContact CB-CG 4.1Å; L476-F538 HydrophobicContact CD1-CB 3.97Å; L476-F538 HydrophobicContact CD1-CD1 4.25Å; L476-F538 HydrophobicContact CD1-CD2 4.02Å; L476-F538 HydrophobicContact CD1-CG 3.8Å; L476-F538 HydrophobicContact CD2-CD2 4.35Å; L476-F538 HydrophobicContact CD2-CE2 4.42Å; L476-F538 HydrophobicContact CG-CD2 4.26Å; L476-F538 HydrophobicContact CG-CG 4.49Å; I507-F538 HydrophobicContact CD1-CE2 4.31Å; I507-F538 HydrophobicContact CG2-CE2 4.18Å; I507-F538 HydrophobicContact CG2-CZ 4.09Å; Y517-F538 HydrophobicContact CD1-CE1 4.42Å; Y517-F538 HydrophobicContact CD1-CZ 4.05Å; Y517-F538 HydrophobicContact CD2-CD1 4.32Å; Y517-F538 AromaticContact CD2-CE1 3.26Å; Y517-F538 HydrophobicContact CD2-CE1 3.26Å; Y517-F538 AromaticContact CD2-CZ 3.68Å; Y517-F538 HydrophobicContact CD2-CZ 3.68Å; Y517-F538 AromaticContact CE2-CE1 3.94Å; Y517-F538 HydrophobicContact CE2-CE1 3.94Å; Y517-F538 HydrophobicContact CE2-CZ 4.17Å; Y517-F538 AromaticContact CG-CE1 3.53Å; Y517-F538 HydrophobicContact CG-CE1 3.53Å; Y517-F538 AromaticContact CG-CZ 3.58Å; Y517-F538 HydrophobicContact CG-CZ 3.58Å; Q534-F538 HydrophobicContact CG-CD1 4.12Å; Q535-F538 WeakPolarHBondContact O-CB 3.41Å; Q535-F538 PolarHBondContact O-N 3.19Å; Q535-F538 VanDerWaalsContact O-N 3.1Å; S536-F538 PolarHBondContact O-N 3.43Å; S536-F538 VanDerWaalsContact O-N 3.13Å; F538-T542 HydrophobicContact CD2-CG2 3.9Å; F538-T542 HydrophobicContact CE2-CG2 3.97Å; F538-L543 HydrophobicContact CD1-CD1 4.13Å; F538-L543 HydrophobicContact CD1-CG 4.39Å; F538-L543 HydrophobicContact CD2-CG 4.46Å; F538-L543 HydrophobicContact CE1-CD1 3.59Å; F538-L543 HydrophobicContact CE1-CD2 4.27Å; F538-L543 HydrophobicContact CE1-CG 3.91Å; F538-L543 HydrophobicContact CE2-CD2 4.04Å; F538-L543 HydrophobicContact CE2-CG 4.02Å; F538-L543 HydrophobicContact CZ-CD1 3.89Å; F538-L543 HydrophobicContact CZ-CD2 3.68Å; F538-L543 HydrophobicContact CZ-CG 3.74Å; F538-L543 WeakPolarHBondContact O-CG 3.42Å; F538-L543 PolarHBondContact O-N 3.36Å
539	L	98.9	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-80	-41.7	175.9	-67.3	86.1	0	0	0	111.6	M136 A139 W140 T181 Q534 S536 Y537	M136-L539 HydrophobicContact CE-CB 4Å; M136-L539 HydrophobicContact CE-CD2 3.87Å; M136-L539 HydrophobicContact CE-CG 4.3Å; M136-L539 HydrophobicContact SD-CB 3.93Å; M136-L539 HydrophobicContact SD-CD2 4.07Å; M136-L539 HydrophobicContact SD-CG 4.04Å; A139-L539 HydrophobicContact CB-CD2 4.35Å; A139-L539 HydrophobicContact CB-CG 4.25Å; W140-L539 HydrophobicContact CE3-CD2 4.29Å; T181-L539 VanDerWaalsContact CG2-O 3.25Å; T181-L539 WeakPolarHBondContact CG2-O 3.41Å; T181-L539 PolarHBondContact OG1-O 2.93Å; Q534-L539 HydrophobicContact CG-CD1 4.09Å; S536-L539 PolarHBondContact O-N 2.95Å; S536-L539 VanDerWaalsContact O-N 3.07Å; Y537-L539 PolarHBondContact O-N 3.45Å
540	A	98.8	Very high	98.5	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.036	C	C	.	.	I	π-helix	trans	-71.2	-33.2	-176.6	0	0	0	0	0	112.6	D177 T181 S536 Y537 K544	D177-A540 HydrophobicContact CB-CB 4.19Å; D177-A540 VanDerWaalsContact CG-CB 3.5Å; D177-A540 WeakPolarHBondContact O-CB 3.36Å; D177-A540 VanDerWaalsContact OD1-CB 3.3Å; D177-A540 WeakPolarHBondContact OD1-CB 3.34Å; T181-A540 PolarHBondContact OG1-O 3.22Å; S536-A540 PolarHBondContact O-N 3.09Å; S536-A540 VanDerWaalsContact O-N 3.1Å; Y537-A540 PolarHBondContact O-N 3.4Å; A540-K544 WeakPolarHBondContact O-CB 3.28Å; A540-K544 WeakPolarHBondContact O-CD 3.25Å; A540-K544 WeakPolarHBondContact O-CE 3.28Å; A540-K544 PolarHBondContact O-NZ 2.94Å
541	E	98.8	Very high	98.6	Very high	7 Å²	7	4.6 Å²	4.6	3%	0.033	2%	0.023	C	C	.	.	I	π-helix	trans	-125	-65.3	-165.6	-50	-165.1	-93.9	0	0	112.8	P478 Y537 L543 K544 Y545 E566 A567	P478-E541 HydrophobicContact CB-CB 3.6Å; P478-E541 HydrophobicContact CG-CB 3.69Å; P478-E541 HydrophobicContact CG-CG 4.34Å; Y537-E541 WeakPolarHBondContact CB-OE1 3.46Å; Y537-E541 WeakPolarHBondContact O-CA 3.48Å; Y537-E541 VanDerWaalsContact O-CB 3.24Å; Y537-E541 WeakPolarHBondContact O-CB 3.4Å; Y537-E541 PolarHBondContact O-N 3.48Å; E541-L543 PolarHBondContact O-N 2.75Å; E541-K544 CarbonylContact O-C 3.53Å; E541-K544 WeakPolarHBondContact O-CA 3.19Å; E541-K544 WeakPolarHBondContact O-CB 3.43Å; E541-K544 PolarHBondContact O-N 2.81Å; E541-Y545 HydrophobicContact CB-CD2 4.39Å; E541-Y545 HydrophobicContact CB-CE2 4.36Å; E541-Y545 WeakPolarHBondContact O-CD2 3.48Å; E541-Y545 PolarHBondContact O-N 3.47Å; E541-E566 VanDerWaalsContact CD-CA 3.48Å; E541-E566 WeakPolarHBondContact CG-O 3.3Å; E541-E566 WeakPolarHBondContact OE2-CA 3.41Å; E541-A567 HydrophobicContact CB-CB 3.99Å; E541-A567 HydrophobicContact CG-CB 3.82Å
542	T	98.9	Very high	98.6	Very high	1 Å²	1	6.4 Å²	6.4	1%	0.006	3%	0.031	C	C	.	.	I	π-helix	trans	-58	-50.3	-171	-61.6	0	0	0	0	110.8	L476 P478 V481 I507 Y537 F538 K544 L546	L476-T542 PolarHBondContact O-OG1 2.83Å; P478-T542 WeakPolarHBondContact CA-OG1 3.41Å; V481-T542 HydrophobicContact CG2-CG2 4.45Å; I507-T542 HydrophobicContact CD1-CG2 4.1Å; Y537-T542 PolarHBondContact O-N 2.87Å; F538-T542 HydrophobicContact CD2-CG2 3.9Å; F538-T542 HydrophobicContact CE2-CG2 3.97Å; T542-K544 VanDerWaalsContact C-N 3.35Å; T542-L546 HydrophobicContact CG2-CD1 4.07Å; T542-L546 VanDerWaalsContact O-CB 3.32Å; T542-L546 WeakPolarHBondContact O-CB 3.5Å; T542-L546 WeakPolarHBondContact O-CD1 3.26Å; T542-L546 WeakPolarHBondContact O-CG 3.5Å; T542-L546 PolarHBondContact O-N 3.11Å; T542-L546 VanDerWaalsContact O-N 3.09Å
543	L	98.9	Very high	98.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-69.5	-30.7	175.8	-66.2	-178.4	0	0	0	112.9	V132 M135 M136 A139 M185 F538 E541 Y547	V132-L543 HydrophobicContact CG1-CD2 4.3Å; V132-L543 WeakPolarHBondContact CG1-O 3.31Å; M135-L543 HydrophobicContact CB-CD2 3.99Å; M135-L543 HydrophobicContact CE-CD2 3.96Å; M136-L543 HydrophobicContact CB-CD1 3.99Å; M136-L543 HydrophobicContact SD-CD1 3.89Å; A139-L543 HydrophobicContact CB-CD1 4.37Å; M185-L543 HydrophobicContact CE-CB 4.25Å; M185-L543 VanDerWaalsContact CE-O 3.28Å; M185-L543 WeakPolarHBondContact CE-O 3.25Å; F538-L543 HydrophobicContact CD1-CD1 4.13Å; F538-L543 HydrophobicContact CD1-CG 4.39Å; F538-L543 HydrophobicContact CD2-CG 4.46Å; F538-L543 HydrophobicContact CE1-CD1 3.59Å; F538-L543 HydrophobicContact CE1-CD2 4.27Å; F538-L543 HydrophobicContact CE1-CG 3.91Å; F538-L543 HydrophobicContact CE2-CD2 4.04Å; F538-L543 HydrophobicContact CE2-CG 4.02Å; F538-L543 HydrophobicContact CZ-CD1 3.89Å; F538-L543 HydrophobicContact CZ-CD2 3.68Å; F538-L543 HydrophobicContact CZ-CG 3.74Å; F538-L543 WeakPolarHBondContact O-CG 3.42Å; F538-L543 PolarHBondContact O-N 3.36Å; E541-L543 PolarHBondContact O-N 2.75Å; L543-Y547 VanDerWaalsContact O-CB 3.29Å; L543-Y547 WeakPolarHBondContact O-CB 3.44Å; L543-Y547 PolarHBondContact O-N 2.96Å
544	K	98.9	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-67.2	-53.1	176.8	-175.4	-174.8	-72.4	151.9	0	110.9	D180 T181 I184 A540 E541 T542 L546 Y547 L548 F563 A567	D180-K544 WeakPolarHBondContact OD1-CE 3.38Å; D180-K544 IonicContact OD1-NZ 3.35Å; D180-K544 PolarHBondContact OD1-NZ 3.38Å; D180-K544 IonicContact OD2-NZ 3.44Å; D180-K544 PolarHBondContact OD2-NZ 2.75Å; T181-K544 HydrophobicContact CG2-CB 4.23Å; T181-K544 WeakPolarHBondContact OG1-CE 3.32Å; T181-K544 PolarHBondContact OG1-NZ 3.12Å; I184-K544 HydrophobicContact CD1-CD 4.29Å; A540-K544 WeakPolarHBondContact O-CB 3.28Å; A540-K544 WeakPolarHBondContact O-CD 3.25Å; A540-K544 WeakPolarHBondContact O-CE 3.28Å; A540-K544 PolarHBondContact O-NZ 2.94Å; E541-K544 CarbonylContact O-C 3.53Å; E541-K544 WeakPolarHBondContact O-CA 3.19Å; E541-K544 WeakPolarHBondContact O-CB 3.43Å; E541-K544 PolarHBondContact O-N 2.81Å; T542-K544 VanDerWaalsContact C-N 3.35Å; K544-L546 VanDerWaalsContact C-N 3.33Å; K544-L546 PolarHBondContact O-N 3.05Å; K544-Y547 WeakPolarHBondContact O-CB 3.4Å; K544-Y547 PolarHBondContact O-N 3.46Å; K544-L548 HydrophobicContact CD-CD1 4.48Å; K544-L548 HydrophobicContact CG-CD1 3.9Å; K544-L548 HydrophobicContact CG-CG 4.32Å; K544-L548 WeakPolarHBondContact O-CB 3.44Å; K544-L548 VanDerWaalsContact O-CG 3.26Å; K544-L548 WeakPolarHBondContact O-CG 3.39Å; K544-L548 PolarHBondContact O-N 3.25Å; K544-F563 HydrophobicContact CD-CE1 4.46Å; K544-A567 HydrophobicContact CD-CB 3.96Å; K544-A567 WeakPolarHBondContact CD-O 3.41Å; K544-A567 WeakPolarHBondContact CE-O 3.49Å; K544-A567 PolarHBondContact NZ-O 3.12Å
545	Y	98.9	Very high	98.5	Very high	1 Å²	1	10.5 Å²	10.5	0%	0.004	6%	0.055	C	C	.	.	H	α-helix	trans	-61.3	-41	177.5	-73	-55.2	0	0	0	112.1	P478 E482 F485 E541 Y547 L548 I549 A567	P478-Y545 HydrophobicContact CB-CD2 4.03Å; P478-Y545 HydrophobicContact CB-CE2 4.35Å; E482-Y545 HydrophobicContact CB-CD2 3.84Å; E482-Y545 HydrophobicContact CB-CE1 4.37Å; E482-Y545 HydrophobicContact CB-CE2 3.65Å; E482-Y545 HydrophobicContact CB-CG 4.26Å; E482-Y545 HydrophobicContact CG-CD2 4.41Å; E482-Y545 HydrophobicContact CG-CE1 3.99Å; E482-Y545 HydrophobicContact CG-CE2 3.81Å; E482-Y545 PolarHBondContact OE1-OH 3.3Å; F485-Y545 HydrophobicContact CB-CD1 4.01Å; F485-Y545 AromaticContact CD1-CD1 3.59Å; F485-Y545 HydrophobicContact CD1-CD1 3.59Å; F485-Y545 AromaticContact CD1-CE1 3.75Å; F485-Y545 HydrophobicContact CD1-CE1 3.75Å; F485-Y545 HydrophobicContact CE1-CD1 4.26Å; F485-Y545 HydrophobicContact CE1-CE1 4.16Å; F485-Y545 AromaticContact CG-CD1 3.87Å; F485-Y545 HydrophobicContact CG-CD1 3.87Å; F485-Y545 HydrophobicContact CG-CE1 4.48Å; E541-Y545 HydrophobicContact CB-CD2 4.39Å; E541-Y545 HydrophobicContact CB-CE2 4.36Å; E541-Y545 WeakPolarHBondContact O-CD2 3.48Å; E541-Y545 PolarHBondContact O-N 3.47Å; Y545-Y547 VanDerWaalsContact C-N 3.3Å; Y545-Y547 PolarHBondContact O-N 3.39Å; Y545-L548 PolarHBondContact O-N 3.41Å; Y545-I549 WeakPolarHBondContact O-CG2 3.07Å; Y545-I549 PolarHBondContact O-N 3.06Å; Y545-A567 HydrophobicContact CD2-CB 4.25Å; Y545-A567 HydrophobicContact CE1-CB 4.28Å; Y545-A567 HydrophobicContact CE2-CB 3.5Å
546	L	98.9	Very high	98.6	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-60.7	-37.7	172.8	-73	172.9	0	0	0	111.9	V132 V481 A500 V504 I507 T542 K544 I549 F550	V132-L546 HydrophobicContact CG1-CB 3.88Å; V132-L546 HydrophobicContact CG2-CB 4.14Å; V481-L546 HydrophobicContact CB-CD2 4.23Å; V481-L546 HydrophobicContact CB-CG 4.5Å; V481-L546 HydrophobicContact CG1-CD2 3.86Å; V481-L546 HydrophobicContact CG1-CG 4.4Å; V481-L546 HydrophobicContact CG2-CG 4.45Å; A500-L546 HydrophobicContact CB-CD2 3.92Å; V504-L546 HydrophobicContact CG2-CB 4.39Å; V504-L546 HydrophobicContact CG2-CD1 3.89Å; V504-L546 HydrophobicContact CG2-CD2 3.84Å; V504-L546 HydrophobicContact CG2-CG 4.25Å; I507-L546 HydrophobicContact CD1-CD1 4.17Å; T542-L546 HydrophobicContact CG2-CD1 4.07Å; T542-L546 VanDerWaalsContact O-CB 3.32Å; T542-L546 WeakPolarHBondContact O-CB 3.5Å; T542-L546 WeakPolarHBondContact O-CD1 3.26Å; T542-L546 WeakPolarHBondContact O-CG 3.5Å; T542-L546 PolarHBondContact O-N 3.11Å; T542-L546 VanDerWaalsContact O-N 3.09Å; K544-L546 VanDerWaalsContact C-N 3.33Å; K544-L546 PolarHBondContact O-N 3.05Å; L546-I549 VanDerWaalsContact O-CG2 3.31Å; L546-I549 WeakPolarHBondContact O-CG2 3.29Å; L546-F550 WeakPolarHBondContact O-CD2 3.49Å
547	Y	98.9	Very high	98.6	Very high	1 Å²	1	11.3 Å²	11.3	0%	0.004	6%	0.061	C	C	.	.	H	α-helix	trans	-72.5	-40.7	176	-178	-98.5	0	0	0	112.8	R129 R133 I184 M185 L543 K544 Y545 F550 S551 L555	R129-Y547 HydrophobicContact CG-CD2 3.61Å; R129-Y547 HydrophobicContact CG-CE2 3.42Å; R129-Y547 VanDerWaalsContact CG-CE2 3.42Å; R129-Y547 HydrophobicContact CG-CG 4.37Å; R129-Y547 PolarHBondContact NH1-OH 3.44Å; R129-Y547 PolarHBondContact NH2-OH 2.97Å; R133-Y547 HydrophobicContact CB-CD2 4.35Å; R133-Y547 HydrophobicContact CB-CE2 4.01Å; I184-Y547 HydrophobicContact CG2-CD1 4.17Å; I184-Y547 HydrophobicContact CG2-CE1 4Å; M185-Y547 HydrophobicContact CB-CE2 4.47Å; M185-Y547 HydrophobicContact CE-CD1 4.48Å; M185-Y547 HydrophobicContact CE-CD2 4.31Å; M185-Y547 HydrophobicContact CE-CG 3.92Å; M185-Y547 HydrophobicContact CG-CD1 3.95Å; M185-Y547 HydrophobicContact CG-CD2 4.05Å; M185-Y547 HydrophobicContact CG-CE1 3.92Å; M185-Y547 HydrophobicContact CG-CE2 4.03Å; M185-Y547 HydrophobicContact CG-CG 3.98Å; M185-Y547 HydrophobicContact SD-CD2 4.29Å; M185-Y547 HydrophobicContact SD-CG 4.38Å; L543-Y547 VanDerWaalsContact O-CB 3.29Å; L543-Y547 WeakPolarHBondContact O-CB 3.44Å; L543-Y547 PolarHBondContact O-N 2.96Å; K544-Y547 WeakPolarHBondContact O-CB 3.4Å; K544-Y547 PolarHBondContact O-N 3.46Å; Y545-Y547 VanDerWaalsContact C-N 3.3Å; Y545-Y547 PolarHBondContact O-N 3.39Å; Y547-F550 CarbonylContact O-C 3.53Å; Y547-F550 PolarHBondContact O-N 2.91Å; Y547-S551 PolarHBondContact O-N 3.38Å; Y547-S551 VanDerWaalsContact O-N 3.13Å; Y547-S551 PolarHBondContact O-OG 3.14Å; Y547-L555 HydrophobicContact CD1-CD2 4.19Å; Y547-L555 HydrophobicContact CE1-CD2 3.78Å
548	L	98.9	Very high	98.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-69	-35.7	-177.9	-68.9	176.1	0	0	0	112.9	I184 F485 K544 Y545 F550 S551 L555 L556 F563	I184-L548 HydrophobicContact CG2-CD2 4.41Å; F485-L548 HydrophobicContact CD2-CB 3.78Å; F485-L548 HydrophobicContact CE2-CB 3.6Å; F485-L548 HydrophobicContact CE2-CD1 4.33Å; F485-L548 HydrophobicContact CZ-CB 4.36Å; F485-L548 HydrophobicContact CZ-CD1 4.29Å; K544-L548 HydrophobicContact CD-CD1 4.48Å; K544-L548 HydrophobicContact CG-CD1 3.9Å; K544-L548 HydrophobicContact CG-CG 4.32Å; K544-L548 WeakPolarHBondContact O-CB 3.44Å; K544-L548 VanDerWaalsContact O-CG 3.26Å; K544-L548 WeakPolarHBondContact O-CG 3.39Å; K544-L548 PolarHBondContact O-N 3.25Å; Y545-L548 PolarHBondContact O-N 3.41Å; L548-F550 VanDerWaalsContact C-N 3.3Å; L548-F550 PolarHBondContact O-N 3.29Å; L548-S551 PolarHBondContact O-N 3.12Å; L548-S551 VanDerWaalsContact O-N 3.11Å; L548-L555 HydrophobicContact CD2-CD2 3.62Å; L548-L555 HydrophobicContact CD2-CG 3.89Å; L548-L556 HydrophobicContact CD1-CD1 4.37Å; L548-L556 HydrophobicContact CD2-CD1 4.03Å; L548-F563 HydrophobicContact CD1-CE1 3.6Å; L548-F563 HydrophobicContact CD1-CZ 3.65Å
549	I	98.8	Very high	98.5	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	10%	0.095	C	C	.	.	H	α-helix	trans	-67.1	-33.1	176.9	-162.9	179	0	0	0	111.8	Y484 F485 W488 Y496 R497 A500 Y545 L546 S551	Y484-I549 WeakPolarHBondContact O-CD1 3.34Å; F485-I549 HydrophobicContact CB-CB 4.4Å; F485-I549 HydrophobicContact CD2-CB 4.46Å; W488-I549 HydrophobicContact CB-CD1 3.88Å; W488-I549 HydrophobicContact CB-CG1 3.63Å; W488-I549 HydrophobicContact CG-CD1 4.38Å; W488-I549 HydrophobicContact CG-CG1 3.67Å; W488-I549 PolarHBondContact NE1-O 3.4Å; Y496-I549 WeakPolarHBondContact O-CD1 3.39Å; R497-I549 HydrophobicContact CG-CD1 4.41Å; R497-I549 HydrophobicContact CG-CG1 4.03Å; R497-I549 PolarHBondContact NE-O 3.33Å; R497-I549 PolarHBondContact NH2-O 3.48Å; A500-I549 HydrophobicContact CB-CD1 3.82Å; A500-I549 HydrophobicContact CB-CG2 3.77Å; Y545-I549 WeakPolarHBondContact O-CG2 3.07Å; Y545-I549 PolarHBondContact O-N 3.06Å; L546-I549 VanDerWaalsContact O-CG2 3.31Å; L546-I549 WeakPolarHBondContact O-CG2 3.29Å; I549-S551 VanDerWaalsContact C-N 3.31Å
550	F	98.7	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	11.9	172.1	-60	-64.8	0	0	0	113.6	F35 P120 V125 I128 R129 V132 R497 A500 W501 V504 L546 Y547 L548	F35-F550 HydrophobicContact CE2-CE1 4.37Å; F35-F550 HydrophobicContact CZ-CD1 4.48Å; F35-F550 HydrophobicContact CZ-CE1 4.08Å; P120-F550 WeakPolarHBondContact CG-O 3.48Å; V125-F550 HydrophobicContact CG1-CB 4.11Å; V125-F550 HydrophobicContact CG1-CD1 4.3Å; V125-F550 VanDerWaalsContact CG1-O 3.29Å; V125-F550 WeakPolarHBondContact CG1-O 3.44Å; I128-F550 HydrophobicContact CB-CD1 4.31Å; I128-F550 HydrophobicContact CB-CG 4.32Å; I128-F550 HydrophobicContact CD1-CE1 4.34Å; I128-F550 HydrophobicContact CG2-CB 4.47Å; I128-F550 HydrophobicContact CG2-CD1 3.79Å; I128-F550 HydrophobicContact CG2-CD2 3.41Å; I128-F550 VanDerWaalsContact CG2-CD2 3.41Å; I128-F550 HydrophobicContact CG2-CE1 3.78Å; I128-F550 HydrophobicContact CG2-CE2 3.45Å; I128-F550 VanDerWaalsContact CG2-CE2 3.45Å; I128-F550 HydrophobicContact CG2-CG 3.63Å; I128-F550 HydrophobicContact CG2-CZ 3.64Å; R129-F550 HydrophobicContact CB-CB 3.93Å; R129-F550 WeakPolarHBondContact CD-O 3.22Å; V132-F550 HydrophobicContact CG2-CD2 4.37Å; R497-F550 HydrophobicContact CB-CD1 4.4Å; R497-F550 HydrophobicContact CB-CE1 3.84Å; R497-F550 HydrophobicContact CG-CD1 4.16Å; R497-F550 HydrophobicContact CG-CE1 4.06Å; R497-F550 WeakPolarHBondContact O-CE1 3.36Å; R497-F550 VanDerWaalsContact O-CZ 3.25Å; R497-F550 WeakPolarHBondContact O-CZ 3.25Å; A500-F550 HydrophobicContact CB-CE2 4.01Å; A500-F550 HydrophobicContact CB-CZ 3.83Å; W501-F550 HydrophobicContact CB-CE1 4.44Å; W501-F550 HydrophobicContact CB-CZ 3.86Å; V504-F550 HydrophobicContact CG2-CE2 4.38Å; L546-F550 WeakPolarHBondContact O-CD2 3.49Å; Y547-F550 CarbonylContact O-C 3.53Å; Y547-F550 PolarHBondContact O-N 2.91Å; L548-F550 VanDerWaalsContact C-N 3.3Å; L548-F550 PolarHBondContact O-N 3.29Å
551	S	98.5	Very high	98.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.101	C	C	.	.	S	Bend	trans	-102.7	162.4	171.3	-61.4	0	0	0	0	111	G118 R129 R497 Y547 L548 I549	G118-S551 WeakPolarHBondContact O-CA 3.5Å; G118-S551 WeakPolarHBondContact O-CB 3.37Å; R129-S551 WeakPolarHBondContact CD-OG 3.36Å; R129-S551 PolarHBondContact NE-OG 3.2Å; R497-S551 PolarHBondContact NH2-O 2.84Å; R497-S551 VanDerWaalsContact NH2-O 3.14Å; Y547-S551 PolarHBondContact O-N 3.38Å; Y547-S551 VanDerWaalsContact O-N 3.13Å; Y547-S551 PolarHBondContact O-OG 3.14Å; L548-S551 PolarHBondContact O-N 3.12Å; L548-S551 VanDerWaalsContact O-N 3.11Å; I549-S551 VanDerWaalsContact C-N 3.31Å
552	E	97.8	Very high	98.4	Very high	60 Å²	60	18.9 Å²	18.9	28%	0.28	10%	0.1	S	C	.	.			trans	-72	158.6	167.9	-64.5	-58.4	144.5	0	0	111.4	G118 F119 P120 R489 T554 L555	G118-E552 PolarHBondContact O-N 3.3Å; F119-E552 WeakPolarHBondContact O-CG 3.35Å; P120-E552 WeakPolarHBondContact CA-OE1 3.42Å; R489-E552 PolarHBondContact NH2-O 2.81Å; E552-T554 PolarHBondContact O-N 3.08Å; E552-T554 VanDerWaalsContact O-N 3.13Å; E552-L555 PolarHBondContact O-N 2.95Å; E552-L555 VanDerWaalsContact O-N 3.12Å
553	D	97.4	Very high	98.4	Very high	55 Å²	55	18.8 Å²	18.8	29%	0.294	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-15.6	-175	-72.2	18	0	0	0	113.6	R489 K492 L555 P557	R489-D553 VanDerWaalsContact CD-CG 3.46Å; R489-D553 WeakPolarHBondContact CD-OD1 3.35Å; R489-D553 IonicContact CZ-OD1 2.96Å; R489-D553 IonicContact NE-OD1 3.32Å; R489-D553 PolarHBondContact NE-OD1 2.97Å; R489-D553 PolarHBondContact NH1-O 2.73Å; K492-D553 WeakPolarHBondContact CE-OD2 3.41Å; K492-D553 IonicContact NZ-OD1 3.43Å; K492-D553 PolarHBondContact NZ-OD1 2.99Å; K492-D553 IonicContact NZ-OD2 2.71Å; K492-D553 PolarHBondContact NZ-OD2 3.45Å; D553-L555 PolarHBondContact O-N 3.23Å; D553-P557 WeakPolarHBondContact O-CA 3.27Å; D553-P557 WeakPolarHBondContact O-CB 3.13Å
554	T	97.7	Very high	98.4	Very high	72 Å²	72	18.8 Å²	18.8	44%	0.442	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.4	174	54.9	0	0	0	0	112.4	E113 E114 G118 E552	E113-T554 PolarHBondContact OE1-OG1 3.38Å; E114-T554 WeakPolarHBondContact CA-O 3.12Å; G118-T554 WeakPolarHBondContact CA-OG1 3.46Å; E552-T554 PolarHBondContact O-N 3.08Å; E552-T554 VanDerWaalsContact O-N 3.13Å
555	L	98.6	Very high	98.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-81.5	119.5	170.9	-179.7	67	0	0	0	109.8	I115 I184 R489 Y547 L548 E552 D553	I115-L555 VanDerWaalsContact C-CD1 3.49Å; I184-L555 HydrophobicContact CG2-CD1 4.29Å; I184-L555 HydrophobicContact CG2-CD2 4.06Å; R489-L555 PolarHBondContact NH1-O 3.29Å; R489-L555 PolarHBondContact NH2-O 3.44Å; Y547-L555 HydrophobicContact CD1-CD2 4.19Å; Y547-L555 HydrophobicContact CE1-CD2 3.78Å; L548-L555 HydrophobicContact CD2-CD2 3.62Å; L548-L555 HydrophobicContact CD2-CG 3.89Å; E552-L555 PolarHBondContact O-N 2.95Å; E552-L555 VanDerWaalsContact O-N 3.12Å; D553-L555 PolarHBondContact O-N 3.23Å
556	L	98.6	Very high	98.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	45.7	64.1	-178.6	-59.3	175.7	0	0	0	112.3	E114 I115 I184 F229 R489 L548 W561 F563 P569	E114-L556 PolarHBondContact O-N 2.91Å; I115-L556 HydrophobicContact CG2-CD2 4.15Å; I184-L556 HydrophobicContact CD1-CD1 3.69Å; I184-L556 HydrophobicContact CG1-CD1 4.14Å; F229-L556 HydrophobicContact CE1-CD2 4.16Å; F229-L556 HydrophobicContact CZ-CD2 3.89Å; R489-L556 PolarHBondContact NH1-O 2.92Å; L548-L556 HydrophobicContact CD1-CD1 4.37Å; L548-L556 HydrophobicContact CD2-CD1 4.03Å; L556-W561 HydrophobicContact CB-CG 4.36Å; L556-W561 HydrophobicContact CD2-CD2 3.85Å; L556-W561 HydrophobicContact CD2-CE3 4.43Å; L556-W561 HydrophobicContact CD2-CG 3.93Å; L556-F563 HydrophobicContact CB-CZ 4.01Å; L556-F563 HydrophobicContact CD1-CE1 4Å; L556-F563 HydrophobicContact CD1-CZ 3.86Å; L556-P569 HydrophobicContact CD1-CB 4.24Å; L556-P569 HydrophobicContact CD1-CG 3.55Å; L556-P569 HydrophobicContact CD2-CB 4.13Å; L556-P569 HydrophobicContact CD2-CG 4.24Å
557	P	98.3	Very high	98.3	Very high	22 Å²	22	20.2 Å²	20.2	14%	0.143	11%	0.109	C	C	.	.			trans	-66.3	137.3	-178.1	30.8	-37.7	0	0	0	110.8	E114 D553 D559 R560 W561	E114-P557 HydrophobicContact CG-CG 4.41Å; D553-P557 WeakPolarHBondContact O-CA 3.27Å; D553-P557 WeakPolarHBondContact O-CB 3.13Å; P557-D559 VanDerWaalsContact CB-OD1 3.31Å; P557-D559 WeakPolarHBondContact CB-OD1 3.24Å; P557-D559 PolarHBondContact O-N 2.67Å; P557-D559 VanDerWaalsContact O-N 3.13Å; P557-R560 HydrophobicContact CG-CB 4.1Å; P557-R560 HydrophobicContact CG-CG 4.05Å; P557-R560 PolarHBondContact O-N 3.15Å; P557-W561 PolarHBondContact O-N 3.34Å
558	L	98.1	Very high	98.3	Very high	40 Å²	40	20.2 Å²	20.2	21%	0.209	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-8.2	-171.6	-64.4	-179.2	0	0	0	114.2	F485 Y486 R489 R560 F563	F485-L558 HydrophobicContact CE1-CD2 4.26Å; F485-L558 HydrophobicContact CZ-CD2 4.19Å; Y486-L558 HydrophobicContact CD1-CD1 3.89Å; Y486-L558 HydrophobicContact CE1-CD1 4.05Å; Y486-L558 HydrophobicContact CE1-CD2 3.97Å; R489-L558 HydrophobicContact CB-CD1 3.81Å; R489-L558 HydrophobicContact CG-CD1 4.18Å; L558-R560 VanDerWaalsContact C-N 3.32Å; L558-F563 HydrophobicContact CD2-CD2 4.28Å; L558-F563 HydrophobicContact CD2-CE2 3.84Å
559	D	97.1	Very high	98.3	Very high	108 Å²	108	20.2 Å²	20.2	58%	0.578	11%	0.109	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.3	171	70.5	-37.9	0	0	0	112.9	P557 K575	P557-D559 VanDerWaalsContact CB-OD1 3.31Å; P557-D559 WeakPolarHBondContact CB-OD1 3.24Å; P557-D559 PolarHBondContact O-N 2.67Å; P557-D559 VanDerWaalsContact O-N 3.13Å; D559-K575 WeakPolarHBondContact O-CG 3.46Å
560	R	97.8	Very high	98.3	Very high	29 Å²	29	20.1 Å²	20.1	11%	0.109	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-24.5	178.9	-58.5	-179.8	54.9	74.6	-2.5	113.5	T108 E114 P557 L558 I572 K575 V576	T108-R560 PolarHBondContact O-NH2 3.37Å; T108-R560 VanDerWaalsContact OG1-CZ 3.25Å; T108-R560 PolarHBondContact OG1-NH1 3.05Å; T108-R560 PolarHBondContact OG1-NH2 3.03Å; E114-R560 IonicContact OE1-CZ 3.77Å; E114-R560 IonicContact OE1-NE 2.67Å; E114-R560 PolarHBondContact OE1-NE 3.31Å; E114-R560 IonicContact OE1-NH2 2.81Å; E114-R560 PolarHBondContact OE1-NH2 3.42Å; E114-R560 IonicContact OE2-CZ 2.7Å; E114-R560 IonicContact OE2-NE 3.82Å; E114-R560 PolarHBondContact OE2-NE 2.8Å; E114-R560 IonicContact OE2-NH2 3.89Å; E114-R560 PolarHBondContact OE2-NH2 3.08Å; P557-R560 HydrophobicContact CG-CB 4.1Å; P557-R560 HydrophobicContact CG-CG 4.05Å; P557-R560 PolarHBondContact O-N 3.15Å; L558-R560 VanDerWaalsContact C-N 3.32Å; R560-I572 PolarHBondContact O-N 3.14Å; R560-K575 HydrophobicContact CG-CB 4.37Å; R560-K575 PolarHBondContact NH1-O 3.11Å; R560-V576 HydrophobicContact CB-CG2 4.19Å
561	W	98.6	Very high	98.2	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.008	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.3	-177.1	-58.1	89.2	0	0	0	111.6	I110 E114 I115 T228 F229 L556 P557 P569 P571 V576	I110-W561 HydrophobicContact CD1-CH2 3.69Å; I110-W561 HydrophobicContact CD1-CZ2 4.06Å; I110-W561 HydrophobicContact CG1-CH2 4.15Å; I110-W561 HydrophobicContact CG1-CZ2 4.01Å; I110-W561 HydrophobicContact CG2-CZ2 4.1Å; E114-W561 WeakPolarHBondContact OE1-CZ2 3.49Å; E114-W561 PolarHBondContact OE1-NE1 3.22Å; I115-W561 HydrophobicContact CG2-CH2 4.42Å; I115-W561 HydrophobicContact CG2-CZ2 3.91Å; T228-W561 HydrophobicContact CG2-CH2 3.84Å; T228-W561 HydrophobicContact CG2-CZ3 3.89Å; F229-W561 HydrophobicContact CD1-CH2 4.05Å; F229-W561 HydrophobicContact CD1-CZ3 4.41Å; F229-W561 HydrophobicContact CE1-CE3 4.27Å; F229-W561 AromaticContact CE1-CH2 3.53Å; F229-W561 HydrophobicContact CE1-CH2 3.53Å; F229-W561 HydrophobicContact CE1-CZ2 4.13Å; F229-W561 AromaticContact CE1-CZ3 3.6Å; F229-W561 HydrophobicContact CE1-CZ3 3.6Å; F229-W561 HydrophobicContact CZ-CZ3 4.44Å; L556-W561 HydrophobicContact CB-CG 4.36Å; L556-W561 HydrophobicContact CD2-CD2 3.85Å; L556-W561 HydrophobicContact CD2-CE3 4.43Å; L556-W561 HydrophobicContact CD2-CG 3.93Å; P557-W561 PolarHBondContact O-N 3.34Å; W561-P569 HydrophobicContact CD2-CB 4.37Å; W561-P569 HydrophobicContact CE3-CB 3.78Å; W561-P569 HydrophobicContact CZ3-CB 4.46Å; W561-P571 HydrophobicContact CE3-CB 4.45Å; W561-P571 HydrophobicContact CZ3-CB 4.07Å; W561-V576 HydrophobicContact CZ2-CG2 4.39Å
562	V	98.6	Very high	98.2	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.9	167.7	62	0	0	0	0	108.3	M289 K355 I358 R359 L570 I572	M289-V562 HydrophobicContact CE-CB 4.4Å; M289-V562 HydrophobicContact CE-CG1 3.62Å; M289-V562 HydrophobicContact CE-CG2 3.93Å; K355-V562 HydrophobicContact CB-CG2 3.65Å; K355-V562 HydrophobicContact CD-CG2 3.93Å; K355-V562 HydrophobicContact CG-CG2 3.85Å; I358-V562 HydrophobicContact CG2-CB 4.25Å; I358-V562 HydrophobicContact CG2-CG2 4.34Å; R359-V562 HydrophobicContact CB-CG1 3.7Å; R359-V562 HydrophobicContact CG-CG1 3.67Å; V562-L570 HydrophobicContact CG1-CB 4.47Å; V562-L570 PolarHBondContact N-O 3.44Å; V562-L570 PolarHBondContact O-N 2.97Å; V562-I572 HydrophobicContact CG1-CG1 4.47Å
563	F	98.8	Very high	98.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	133	-176.7	-65.8	-100.9	0	0	0	108.8	K355 F485 K544 L548 L556 L558 A567 H568 P569	K355-F563 WeakPolarHBondContact CD-O 3.44Å; K355-F563 WeakPolarHBondContact CE-O 3.19Å; K355-F563 PolarHBondContact NZ-O 2.97Å; F485-F563 HydrophobicContact CE1-CE2 4.11Å; F485-F563 HydrophobicContact CE1-CZ 4.46Å; F485-F563 HydrophobicContact CZ-CE2 4.16Å; F485-F563 HydrophobicContact CZ-CZ 4.3Å; K544-F563 HydrophobicContact CD-CE1 4.46Å; L548-F563 HydrophobicContact CD1-CE1 3.6Å; L548-F563 HydrophobicContact CD1-CZ 3.65Å; L556-F563 HydrophobicContact CB-CZ 4.01Å; L556-F563 HydrophobicContact CD1-CE1 4Å; L556-F563 HydrophobicContact CD1-CZ 3.86Å; L558-F563 HydrophobicContact CD2-CD2 4.28Å; L558-F563 HydrophobicContact CD2-CE2 3.84Å; F563-A567 HydrophobicContact CD1-CB 4.49Å; F563-A567 WeakPolarHBondContact CD1-O 3.3Å; F563-H568 CarbonylContact C-O 3.52Å; F563-H568 WeakPolarHBondContact CA-O 3.48Å; F563-P569 HydrophobicContact CD1-CG 3.99Å; F563-P569 HydrophobicContact CE1-CB 4.36Å; F563-P569 HydrophobicContact CE1-CG 3.65Å; F563-P569 HydrophobicContact CZ-CG 4.34Å
564	N	98.6	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.			trans	-68.3	-173.1	169.5	89.7	-27.5	0	0	0	110.7	I217 E290 Y352 E566 A567 H568	I217-N564 PolarHBondContact O-ND2 2.77Å; E290-N564 WeakPolarHBondContact OE1-CB 3.47Å; E290-N564 PolarHBondContact OE1-ND2 3.24Å; Y352-N564 HydrophobicContact CE1-CB 4.41Å; Y352-N564 WeakPolarHBondContact OH-CB 3.37Å; N564-E566 PolarHBondContact O-N 2.93Å; N564-E566 WeakPolarHBondContact OD1-CA 3.18Å; N564-E566 PolarHBondContact OD1-N 2.9Å; N564-A567 PolarHBondContact O-N 3.44Å; N564-A567 PolarHBondContact OD1-N 2.96Å; N564-H568 PolarHBondContact N-O 3.03Å; N564-H568 WeakPolarHBondContact OD1-CA 3.46Å; N564-H568 VanDerWaalsContact OD1-CB 3.32Å; N564-H568 WeakPolarHBondContact OD1-CB 3.45Å; N564-H568 PolarHBondContact OD1-CD2 3.35Å; N564-H568 PolarHBondContact OD1-N 2.78Å
565	S	97.7	Very high	97.8	Very high	21 Å²	21	18.4 Å²	18.4	15%	0.147	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-22	-176.1	-147	0	0	0	0	112.6	S348 E351 Y352	S348-S565 WeakPolarHBondContact CB-OG 3.48Å; E351-S565 WeakPolarHBondContact OE2-CB 3.44Å; E351-S565 PolarHBondContact OE2-OG 3.4Å; Y352-S565 PolarHBondContact OH-N 3.44Å
566	E	98	Very high	97.6	Very high	11 Å²	11	18.4 Å²	18.4	5%	0.051	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	29.3	178.6	-64.2	-67.5	165.9	0	0	112.1	I217 R218 E541 N564 H568	I217-E566 HydrophobicContact CB-CG 3.76Å; I217-E566 HydrophobicContact CD1-CG 3.6Å; I217-E566 WeakPolarHBondContact CD1-OE1 3.44Å; I217-E566 HydrophobicContact CG1-CG 3.49Å; I217-E566 VanDerWaalsContact CG1-CG 3.49Å; R218-E566 HydrophobicContact CG-CG 3.8Å; R218-E566 IonicContact CZ-OE1 2.78Å; R218-E566 IonicContact CZ-OE2 3.64Å; R218-E566 VanDerWaalsContact CZ-OE2 3.22Å; R218-E566 IonicContact NE-OE1 3.17Å; R218-E566 VanDerWaalsContact NH1-CD 3.25Å; R218-E566 IonicContact NH1-OE1 3.9Å; R218-E566 PolarHBondContact NH1-OE1 3.3Å; R218-E566 IonicContact NH1-OE2 2.71Å; R218-E566 PolarHBondContact NH1-OE2 2.85Å; R218-E566 IonicContact NH2-OE1 3.8Å; R218-E566 PolarHBondContact NH2-OE1 3Å; R218-E566 IonicContact NH2-OE2 3.97Å; R218-E566 PolarHBondContact NH2-OE2 3.35Å; E541-E566 VanDerWaalsContact CD-CA 3.48Å; E541-E566 WeakPolarHBondContact CG-O 3.3Å; E541-E566 WeakPolarHBondContact OE2-CA 3.41Å; N564-E566 PolarHBondContact O-N 2.93Å; N564-E566 WeakPolarHBondContact OD1-CA 3.18Å; N564-E566 PolarHBondContact OD1-N 2.9Å; E566-H568 PolarHBondContact O-N 3.11Å
567	A	98.7	Very high	97.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	55.5	24.4	179.8	0	0	0	0	0	115.2	E541 K544 Y545 F563 N564 P569	E541-A567 HydrophobicContact CB-CB 3.99Å; E541-A567 HydrophobicContact CG-CB 3.82Å; K544-A567 HydrophobicContact CD-CB 3.96Å; K544-A567 WeakPolarHBondContact CD-O 3.41Å; K544-A567 WeakPolarHBondContact CE-O 3.49Å; K544-A567 PolarHBondContact NZ-O 3.12Å; Y545-A567 HydrophobicContact CD2-CB 4.25Å; Y545-A567 HydrophobicContact CE1-CB 4.28Å; Y545-A567 HydrophobicContact CE2-CB 3.5Å; F563-A567 HydrophobicContact CD1-CB 4.49Å; F563-A567 WeakPolarHBondContact CD1-O 3.3Å; N564-A567 PolarHBondContact O-N 3.44Å; N564-A567 PolarHBondContact OD1-N 2.96Å; A567-P569 VanDerWaalsContact O-CD 3.31Å; A567-P569 WeakPolarHBondContact O-CD 3.38Å
568	H	98.9	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.			trans	-82.9	120.1	174.2	-58.6	-54.7	0	0	0	111.4	D177 D180 I217 R218 G222 F563 N564 E566 L570	D177-H568 PolarHBondContact O-CE1 3.47Å; D177-H568 IonicContact OD1-CE1 3.79Å; D177-H568 PolarHBondContact OD1-CE1 3.46Å; D177-H568 IonicContact OD1-NE2 3.43Å; D177-H568 PolarHBondContact OD1-NE2 3.44Å; D177-H568 VanDerWaalsContact OD1-NE2 3.1Å; D180-H568 IonicContact OD1-ND1 2.75Å; D180-H568 VanDerWaalsContact OD2-CA 3.28Å; D180-H568 WeakPolarHBondContact OD2-CA 3.41Å; D180-H568 IonicContact OD2-CE1 3.26Å; D180-H568 IonicContact OD2-CG 2.82Å; D180-H568 IonicContact OD2-ND1 3.87Å; D180-H568 PolarHBondContact OD2-ND1 3.39Å; I217-H568 PolarHBondContact O-CD2 3.17Å; I217-H568 PolarHBondContact O-NE2 3.21Å; R218-H568 PolarHBondContact O-NE2 3.32Å; G222-H568 PolarHBondContact N-CD2 3.15Å; G222-H568 VanDerWaalsContact N-CD2 3.26Å; G222-H568 PolarHBondContact N-NE2 2.86Å; F563-H568 CarbonylContact C-O 3.52Å; F563-H568 WeakPolarHBondContact CA-O 3.48Å; N564-H568 PolarHBondContact N-O 3.03Å; N564-H568 WeakPolarHBondContact OD1-CA 3.46Å; N564-H568 VanDerWaalsContact OD1-CB 3.32Å; N564-H568 WeakPolarHBondContact OD1-CB 3.45Å; N564-H568 PolarHBondContact OD1-CD2 3.35Å; N564-H568 PolarHBondContact OD1-N 2.78Å; E566-H568 PolarHBondContact O-N 3.11Å; H568-L570 PolarHBondContact O-N 3.24Å
569	P	98.8	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	124.8	178.6	-18.6	31.1	0	0	0	111.5	D180 I184 S225 F229 L556 W561 F563 A567	D180-P569 WeakPolarHBondContact OD2-CD 3.49Å; I184-P569 HydrophobicContact CD1-CG 4.14Å; S225-P569 WeakPolarHBondContact CB-O 3.42Å; S225-P569 VanDerWaalsContact OG-CD 3.28Å; S225-P569 WeakPolarHBondContact OG-CD 3.4Å; S225-P569 PolarHBondContact OG-O 2.96Å; F229-P569 HydrophobicContact CE2-CG 4.44Å; F229-P569 HydrophobicContact CZ-CB 3.86Å; F229-P569 HydrophobicContact CZ-CG 3.86Å; L556-P569 HydrophobicContact CD1-CB 4.24Å; L556-P569 HydrophobicContact CD1-CG 3.55Å; L556-P569 HydrophobicContact CD2-CB 4.13Å; L556-P569 HydrophobicContact CD2-CG 4.24Å; W561-P569 HydrophobicContact CD2-CB 4.37Å; W561-P569 HydrophobicContact CE3-CB 3.78Å; W561-P569 HydrophobicContact CZ3-CB 4.46Å; F563-P569 HydrophobicContact CD1-CG 3.99Å; F563-P569 HydrophobicContact CE1-CB 4.36Å; F563-P569 HydrophobicContact CE1-CG 3.65Å; F563-P569 HydrophobicContact CZ-CG 4.34Å; A567-P569 VanDerWaalsContact O-CD 3.31Å; A567-P569 WeakPolarHBondContact O-CD 3.38Å
570	L	98.5	Very high	95	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.8	169.6	-57	-174.4	0	0	0	109.7	L224 M289 Y293 V562 H568	L224-L570 HydrophobicContact CB-CD2 4.47Å; M289-L570 HydrophobicContact CB-CD1 3.94Å; M289-L570 HydrophobicContact CE-CD1 4.32Å; Y293-L570 HydrophobicContact CD1-CD2 3.68Å; Y293-L570 HydrophobicContact CE1-CD2 3.99Å; V562-L570 HydrophobicContact CG1-CB 4.47Å; V562-L570 PolarHBondContact N-O 3.44Å; V562-L570 PolarHBondContact O-N 2.97Å; H568-L570 PolarHBondContact O-N 3.24Å
571	P	97.9	Very high	93.1	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.3	-177.6	27.8	-33.2	0	0	0	111.9	F104 T228 Y293 W561 V576	F104-P571 HydrophobicContact CD1-CB 4.37Å; F104-P571 HydrophobicContact CD1-CG 4.21Å; F104-P571 HydrophobicContact CE1-CB 3.81Å; F104-P571 HydrophobicContact CE1-CG 3.49Å; F104-P571 VanDerWaalsContact CE1-CG 3.49Å; F104-P571 HydrophobicContact CZ-CG 3.87Å; T228-P571 HydrophobicContact CG2-CG 4.27Å; Y293-P571 HydrophobicContact CE1-CG 4.36Å; Y293-P571 HydrophobicContact CE2-CG 3.68Å; Y293-P571 WeakPolarHBondContact OH-CG 3.25Å; W561-P571 HydrophobicContact CE3-CB 4.45Å; W561-P571 HydrophobicContact CZ3-CB 4.07Å; P571-V576 HydrophobicContact CB-CB 3.73Å; P571-V576 HydrophobicContact CB-CG1 4.02Å; P571-V576 HydrophobicContact CB-CG2 3.81Å
572	I	97.9	Very high	92.8	Very high	6 Å²	6	27.2 Å²	27.2	3%	0.031	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-73.1	128.9	167.5	-60.8	169.9	0	0	0	108.7	I358 R359 D361 R560 V562 K575 V576	I358-I572 HydrophobicContact CG2-CD1 3.89Å; I358-I572 HydrophobicContact CG2-CG1 4.34Å; I358-I572 WeakPolarHBondContact O-CG2 3.38Å; R359-I572 CarbonylContact O-C 3.48Å; R359-I572 WeakPolarHBondContact O-CA 3.48Å; D361-I572 HydrophobicContact CB-CG2 4.04Å; R560-I572 PolarHBondContact O-N 3.14Å; V562-I572 HydrophobicContact CG1-CG1 4.47Å; I572-K575 HydrophobicContact CB-CB 4.27Å; I572-K575 HydrophobicContact CB-CG 3.89Å; I572-K575 HydrophobicContact CG2-CB 4.47Å; I572-K575 HydrophobicContact CG2-CG 3.61Å; I572-K575 PolarHBondContact O-N 3.26Å; I572-V576 PolarHBondContact O-N 2.93Å
573	Q	95	Very high	92.5	Very high	29 Å²	29	28.5 Å²	28.5	14%	0.136	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	144.7	178.7	-68.8	-174.2	-7.6	0	0	111.4	F104 E296 R359 D361 K575	F104-Q573 HydrophobicContact CZ-CG 4.38Å; E296-Q573 PolarHBondContact OE1-NE2 2.98Å; R359-Q573 PolarHBondContact O-N 3.35Å; D361-Q573 WeakPolarHBondContact CB-O 3.39Å; Q573-K575 PolarHBondContact O-N 3.47Å
574	N	93.4	Very high	92.2	Very high	45 Å²	45	30.1 Å²	30.1	24%	0.241	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	-5.6	-179.4	-43.4	-70.9	0	0	0	116.1	N106 G107 K363	N106-N574 HydrophobicContact CB-CB 4.49Å; G107-N574 WeakPolarHBondContact CA-O 3.23Å; G107-N574 PolarHBondContact N-O 3.08Å; K363-N574 PolarHBondContact NZ-ND2 2.71Å
575	K	96	Very high	91.8	Very high	70 Å²	70	31.8 Å²	31.8	30%	0.304	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-45.9	170.9	-52	-63.3	-178.5	-160.4	0	110.1	G107 T108 D361 D559 R560 I572 Q573	G107-K575 CarbonylContact C-O 3.58Å; G107-K575 VanDerWaalsContact CA-O 3.28Å; G107-K575 WeakPolarHBondContact CA-O 3.45Å; T108-K575 PolarHBondContact N-O 2.83Å; D361-K575 VanDerWaalsContact CG-CE 3.4Å; D361-K575 VanDerWaalsContact CG-NZ 3.29Å; D361-K575 WeakPolarHBondContact OD1-CE 3.23Å; D361-K575 IonicContact OD1-NZ 2.71Å; D361-K575 PolarHBondContact OD1-NZ 2.59Å; D361-K575 WeakPolarHBondContact OD2-CE 3.46Å; D361-K575 IonicContact OD2-NZ 3.03Å; D361-K575 PolarHBondContact OD2-NZ 3.21Å; D361-K575 VanDerWaalsContact OD2-NZ 3.08Å; D559-K575 WeakPolarHBondContact O-CG 3.46Å; R560-K575 HydrophobicContact CG-CB 4.37Å; R560-K575 PolarHBondContact NH1-O 3.11Å; I572-K575 HydrophobicContact CB-CB 4.27Å; I572-K575 HydrophobicContact CB-CG 3.89Å; I572-K575 HydrophobicContact CG2-CB 4.47Å; I572-K575 HydrophobicContact CG2-CG 3.61Å; I572-K575 PolarHBondContact O-N 3.26Å; Q573-K575 PolarHBondContact O-N 3.47Å
576	V	95.5	Very high	91.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.3	-178.2	-179.6	0	0	0	0	110.8	F104 N106 I110 R560 W561 P571 I572 L578	F104-V576 WeakPolarHBondContact CD1-O 3.34Å; N106-V576 CarbonylContact O-C 3.58Å; N106-V576 VanDerWaalsContact O-O 3.13Å; I110-V576 HydrophobicContact CD1-CG1 3.79Å; I110-V576 HydrophobicContact CG1-CG1 3.41Å; I110-V576 VanDerWaalsContact CG1-CG1 3.41Å; R560-V576 HydrophobicContact CB-CG2 4.19Å; W561-V576 HydrophobicContact CZ2-CG2 4.39Å; P571-V576 HydrophobicContact CB-CB 3.73Å; P571-V576 HydrophobicContact CB-CG1 4.02Å; P571-V576 HydrophobicContact CB-CG2 3.81Å; I572-V576 PolarHBondContact O-N 2.93Å; V576-L578 HydrophobicContact CG1-CD2 3.97Å; V576-L578 HydrophobicContact CG1-CG 4.49Å
577	K	94.2	Very high	91	Very high	84 Å²	84	33.9 Å²	33.9	37%	0.365	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	127.3	169.6	-178.5	175.8	-178.2	170.2	0	110.1	F104 N105 N106 T108 L109	F104-K577 CarbonylContact O-C 3.41Å; F104-K577 VanDerWaalsContact O-CA 3.28Å; F104-K577 WeakPolarHBondContact O-CA 3.49Å; F104-K577 WeakPolarHBondContact O-CG 2.87Å; N105-K577 WeakPolarHBondContact O-CD 3.42Å; N105-K577 WeakPolarHBondContact O-CE 3.43Å; N106-K577 WeakPolarHBondContact O-CA 3.4Å; N106-K577 WeakPolarHBondContact O-CB 3.43Å; N106-K577 PolarHBondContact O-N 3.4Å; T108-K577 PolarHBondContact O-N 3.25Å; L109-K577 HydrophobicContact CD2-CB 4.19Å; L109-K577 HydrophobicContact CD2-CD 4.1Å; L109-K577 HydrophobicContact CD2-CG 4.01Å
578	L	91.6	Very high	90.4	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	23%	0.226	C	C	.	.			trans	-104.3	134.9	174.4	-59.7	179	0	0	0	110	I101 F104 I110 T228 Y293 L297 V576	I101-L578 HydrophobicContact CD1-CB 4.31Å; I101-L578 HydrophobicContact CG2-CB 4.49Å; I101-L578 HydrophobicContact CG2-CD1 4.46Å; F104-L578 HydrophobicContact CB-CB 3.88Å; F104-L578 HydrophobicContact CB-CD1 3.97Å; F104-L578 HydrophobicContact CB-CG 3.78Å; F104-L578 HydrophobicContact CD1-CD1 4.23Å; F104-L578 HydrophobicContact CD1-CG 4.35Å; F104-L578 HydrophobicContact CD2-CD1 4.06Å; F104-L578 HydrophobicContact CG-CD1 3.8Å; F104-L578 HydrophobicContact CG-CG 4.05Å; F104-L578 PolarHBondContact O-N 3.22Å; I110-L578 HydrophobicContact CD1-CD2 3.51Å; I110-L578 HydrophobicContact CG1-CD2 4.39Å; T228-L578 HydrophobicContact CG2-CD2 3.96Å; Y293-L578 WeakPolarHBondContact OH-CD1 3.3Å; L297-L578 HydrophobicContact CD2-CD1 3.9Å; V576-L578 HydrophobicContact CG1-CD2 3.97Å; V576-L578 HydrophobicContact CG1-CG 4.49Å
579	T	80.7	Confident	89.8	Confident	69 Å²	69	39.2 Å²	39.2	42%	0.423	24%	0.244	S	C	.	.			trans	-91.6	152.2	171.1	53.6	0	0	0	0	110.2	L109 R231 G581	L109-T579 HydrophobicContact CD2-CG2 3.66Å; R231-T579 VanDerWaalsContact CZ-O 3.3Å; R231-T579 PolarHBondContact NE-O 2.72Å; R231-T579 VanDerWaalsContact NE-O 3.11Å; R231-T579 PolarHBondContact NH2-O 2.82Å; T579-G581 PolarHBondContact O-N 3.47Å
580	P	69.5	Low	89	Confident	112 Å²	112	42.4 Å²	42.4	73%	0.727	26%	0.264	S	S	*	.			trans	-48.5	136.6	164.2	-24	34.2	0	0	0	109.8
581	G	58.3	Low	88.2	Confident	89 Å²	89	46.3 Å²	46.3	92%	0.918	29%	0.288	S	S	*	.			trans	-74.5	0	179.6	0	0	0	0	0	112.7	T579	T579-G581 PolarHBondContact O-N 3.47Å

Retrieved 581 of 581 residues in 480.2 ms (Link to these results)

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