A0A3Q0KP55_SCHMA Loading...

RNA helicase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KP55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	41.6	Very low	42.1	Very low	249 Å²	249	146.4 Å²	146.4	100%	1.227	76%	0.758	S	S	*	*				0	117.4	0	-72.9	179.8	-173.3	0	0	107.3
2	I	38.2	Very low	41.2	Very low	176 Å²	176	142.2 Å²	142.2	90%	0.903	75%	0.747	S	S	*	*			trans	-73.8	125.6	-176	-65.4	165	0	0	0	107.5
3	F	41.6	Very low	40.6	Very low	171 Å²	171	143.9 Å²	143.9	75%	0.75	76%	0.757	S	S	*	*			trans	-61	134.3	-177.9	-155.5	-95.2	0	0	0	110	P5	F3-P5 VanDerWaalsContact O-CD 3.25Å; F3-P5 WeakPolarHBondContact O-CD 3.49Å
4	N	52.5	Low	39.8	Very low	106 Å²	106	145.1 Å²	145.1	57%	0.567	76%	0.762	S	S	*	*			trans	-76.6	113.6	175.5	-175.9	-8.3	0	0	0	108.8	N6 F7	N4-N6 PolarHBondContact O-N 2.66Å; N4-N6 VanDerWaalsContact O-N 3.14Å; N4-N6 PolarHBondContact OD1-N 2.99Å; N4-N6 VanDerWaalsContact OD1-N 3.13Å; N4-F7 PolarHBondContact O-N 3.41Å
5	P	44.5	Very low	39.1	Very low	117 Å²	117	140.9 Å²	140.9	76%	0.76	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-8.9	-176.7	27.6	-33.8	0	0	0	114	F3	F3-P5 VanDerWaalsContact O-CD 3.25Å; F3-P5 WeakPolarHBondContact O-CD 3.49Å
6	N	38.2	Very low	38.6	Very low	134 Å²	134	140.2 Å²	140.2	72%	0.717	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	13.7	178.9	-67.7	-8.3	0	0	0	113.8	N4 S8	N4-N6 PolarHBondContact O-N 2.66Å; N4-N6 VanDerWaalsContact O-N 3.14Å; N4-N6 PolarHBondContact OD1-N 2.99Å; N4-N6 VanDerWaalsContact OD1-N 3.13Å; N6-S8 PolarHBondContact O-N 3.01Å
7	F	51.8	Low	37.8	Very low	143 Å²	143	141.4 Å²	141.4	63%	0.627	77%	0.765	S	S	*	*			trans	-78.6	109.7	176	-174.3	-95.7	0	0	0	111.1	N4 F9	N4-F7 PolarHBondContact O-N 3.41Å; F7-F9 HydrophobicContact CE1-CE2 4.5Å
8	S	42.3	Very low	37.2	Very low	71 Å²	71	140.1 Å²	140.1	50%	0.497	76%	0.762	S	S	.	*			trans	-122.8	150.5	170.9	175.8	0	0	0	0	109.5	N6 D10	N6-S8 PolarHBondContact O-N 3.01Å; S8-D10 PolarHBondContact O-N 2.86Å; S8-D10 PolarHBondContact OG-N 2.82Å
9	F	40.7	Very low	36.5	Very low	186 Å²	186	142 Å²	142	82%	0.816	77%	0.766	S	S	*	*	S	Bend	trans	-70.2	-16.4	176.6	-82.9	-83.4	0	0	0	113.5	F7	F7-F9 HydrophobicContact CE1-CE2 4.5Å
10	D	37.7	Very low	36	Very low	127 Å²	127	140.6 Å²	140.6	68%	0.679	77%	0.767	S	S	*	*	S	Bend	trans	-95.5	115	173.4	-62.6	-37.3	0	0	0	107.9	S8 P12	S8-D10 PolarHBondContact O-N 2.86Å; S8-D10 PolarHBondContact OG-N 2.82Å; D10-P12 WeakPolarHBondContact O-CD 3.41Å; D10-P12 VanDerWaalsContact O-N 3.14Å
11	T	33.8	Very low	35.6	Very low	130 Å²	130	142.7 Å²	142.7	80%	0.798	77%	0.772	S	S	*	*			trans	-57.4	112.7	178.3	45.7	0	0	0	0	109.7
12	P	31.2	Very low	34.8	Very low	96 Å²	96	138.8 Å²	138.8	62%	0.623	76%	0.756	S	S	*	*			trans	-76.2	132.9	171.4	27.4	-22.3	0	0	0	108.3	D10 I14	D10-P12 WeakPolarHBondContact O-CD 3.41Å; D10-P12 VanDerWaalsContact O-N 3.14Å; P12-I14 PolarHBondContact O-N 3.1Å
13	D	34	Very low	34.3	Very low	165 Å²	165	137.6 Å²	137.6	88%	0.882	75%	0.75	S	S	*	*			trans	-54	102.7	177.8	-68.6	-45.2	0	0	0	110.3	A15	D13-A15 PolarHBondContact O-N 2.81Å; D13-A15 VanDerWaalsContact O-N 3.11Å
14	I	29.3	Very low	33.6	Very low	160 Å²	160	135.1 Å²	135.1	82%	0.821	75%	0.754	S	S	*	*			trans	-75.5	101.9	171.3	-62.1	172	0	0	0	106.2	P12	P12-I14 PolarHBondContact O-N 3.1Å
15	A	28.7	Very low	32.5	Very low	82 Å²	82	134.3 Å²	134.3	68%	0.678	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-57.8	126.3	171.5	0	0	0	0	0	109.9	D13	D13-A15 PolarHBondContact O-N 2.81Å; D13-A15 VanDerWaalsContact O-N 3.11Å
16	P	31.4	Very low	32	Very low	130 Å²	130	134.3 Å²	134.3	84%	0.844	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-79.2	133.9	-177.6	29.2	-31	0	0	0	111.3
17	I	25	Very low	32	Very low	161 Å²	161	137 Å²	137	83%	0.826	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-90.4	132	170.1	-59.9	167.7	0	0	0	108
18	V	28.2	Very low	31.5	Very low	117 Å²	117	133.9 Å²	133.9	71%	0.709	75%	0.751	S	S	*	*			trans	90.7	97.4	167.1	-161.4	0	0	0	0	118.1
19	E	23	Very low	32.1	Very low	177 Å²	177	133.8 Å²	133.8	83%	0.827	75%	0.75	S	S	*	*				27.4	106.4	127.2	-61.5	175.6	162.9	0	0	119.1
20	S	27.7	Very low	32.6	Very low	114 Å²	114	128.8 Å²	128.8	80%	0.797	73%	0.732	S	S	*	*				179.7	124.6	113.7	37.5	0	0	0	0	111.9
21	Q	26.8	Very low	33.6	Very low	185 Å²	185	126 Å²	126	86%	0.864	72%	0.716	S	S	*	*			trans	67.5	89.2	152.1	-57.8	-173.3	-2.9	0	0	119.4	I23	Q21-I23 PolarHBondContact O-N 2.97Å
22	N	24.6	Very low	35.5	Very low	167 Å²	167	123.2 Å²	123.2	89%	0.893	69%	0.691	S	S	*	*			trans	24.1	77.6	131.6	-71.7	-8.2	0	0	0	118.5
23	I	28.5	Very low	38	Very low	150 Å²	150	120.7 Å²	120.7	77%	0.769	67%	0.673	S	S	*	*			trans	-144.7	111.6	133	-55.6	-178	0	0	0	106.2	Q21 S25	Q21-I23 PolarHBondContact O-N 2.97Å; I23-S25 PolarHBondContact O-N 3.37Å
24	S	25.4	Very low	40.4	Very low	119 Å²	119	113.7 Å²	113.7	83%	0.832	64%	0.635	S	S	*	*			trans	-67.5	75.9	174.2	65.1	0	0	0	0	110.2	T26	S24-T26 PolarHBondContact O-N 3.3Å
25	S	31.1	Very low	43.1	Very low	90 Å²	90	107.6 Å²	107.6	63%	0.629	60%	0.604	S	S	*	*			trans	-82.4	94.5	164.2	45.5	0	0	0	0	106.4	I23 H27	I23-S25 PolarHBondContact O-N 3.37Å; S25-H27 PolarHBondContact O-N 3.49Å
26	T	33.9	Very low	45.8	Very low	116 Å²	116	105.5 Å²	105.5	71%	0.712	58%	0.584	S	S	*	*			trans	-51.3	115.6	164.4	35.4	0	0	0	0	107.4	S24 I28	S24-T26 PolarHBondContact O-N 3.3Å; T26-I28 PolarHBondContact O-N 3.07Å
27	H	36.5	Very low	48.5	Very low	191 Å²	191	100.8 Å²	100.8	88%	0.884	55%	0.551	S	S	*	*			trans	-63.4	85.5	173.9	-95.6	-82.8	0	0	0	108.5	S25 S29	S25-H27 PolarHBondContact O-N 3.49Å; H27-S29 PolarHBondContact O-N 3.26Å
28	I	42.9	Very low	51.5	Low	78 Å²	78	93.7 Å²	93.7	40%	0.4	52%	0.515	S	S	.	.			trans	-64.2	121.8	170.8	-61.2	170.5	0	0	0	105.9	T26 I30 R32 T36	T26-I28 PolarHBondContact O-N 3.07Å; I28-I30 PolarHBondContact O-N 3.35Å; I28-R32 HydrophobicContact CG2-CB 4.2Å; I28-T36 HydrophobicContact CD1-CG2 3.79Å
29	S	53.1	Low	54.3	Low	68 Å²	68	91.3 Å²	91.3	48%	0.476	50%	0.496	S	S	.	.			trans	-53.4	120	171.1	-177.1	0	0	0	0	108.5	H27 N31 R32	H27-S29 PolarHBondContact O-N 3.26Å; S29-N31 PolarHBondContact O-N 3.4Å; S29-R32 WeakPolarHBondContact O-CB 3.47Å; S29-R32 PolarHBondContact O-N 3.19Å
30	I	53.2	Low	57.4	Low	82 Å²	82	85.7 Å²	85.7	42%	0.421	47%	0.474	S	S	.	.	G	3₁₀ helix	trans	-46.3	-32.9	-175.6	-67.1	154.5	0	0	0	113.3	I28 R32 L33	I28-I30 PolarHBondContact O-N 3.35Å; I30-R32 PolarHBondContact O-N 3.3Å; I30-L33 PolarHBondContact O-N 3.43Å; I30-L33 VanDerWaalsContact O-N 3.08Å
31	N	57.9	Low	60.3	Low	67 Å²	67	83 Å²	83	36%	0.358	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-55.7	-17	176.1	-67.1	-26.4	0	0	0	112.8	S29 Q392	S29-N31 PolarHBondContact O-N 3.4Å; N31-Q392 HydrophobicContact CB-CG 4.49Å; N31-Q392 VanDerWaalsContact OD1-CG 3.3Å; N31-Q392 WeakPolarHBondContact OD1-CG 3.33Å; N31-Q392 PolarHBondContact OD1-NE2 3.3Å
32	R	73.3	Confident	63	Low	73 Å²	73	79.3 Å²	79.3	28%	0.275	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-114.5	0.6	-178.4	-57.4	-174.1	-175.3	160.4	5	114.2	I28 S29 I30 V34 D35 T36 D425	I28-R32 HydrophobicContact CG2-CB 4.2Å; S29-R32 WeakPolarHBondContact O-CB 3.47Å; S29-R32 PolarHBondContact O-N 3.19Å; I30-R32 PolarHBondContact O-N 3.3Å; R32-V34 VanDerWaalsContact C-N 3.29Å; R32-V34 PolarHBondContact O-N 2.62Å; R32-D35 CarbonylContact O-C 3.58Å; R32-D35 PolarHBondContact O-N 3.06Å; R32-D35 VanDerWaalsContact O-N 3.08Å; R32-T36 PolarHBondContact O-N 3.43Å; R32-T36 PolarHBondContact O-OG1 3.22Å; R32-D425 IonicContact CZ-OD2 2.8Å; R32-D425 VanDerWaalsContact NH1-CG 3.3Å; R32-D425 IonicContact NH1-OD1 2.71Å; R32-D425 IonicContact NH1-OD2 3.44Å; R32-D425 PolarHBondContact NH1-OD2 3.34Å; R32-D425 IonicContact NH2-OD2 3.22Å; R32-D425 PolarHBondContact NH2-OD2 2.65Å; R32-D425 VanDerWaalsContact NH2-OD2 3.09Å
33	L	82.9	Confident	65.9	Low	43 Å²	43	78.4 Å²	78.4	23%	0.225	41%	0.413	C	S	.	.	H	α-helix	trans	-52.9	-49.3	-179.4	175.2	67.1	0	0	0	111.4	I30 T36 L37 E535	I30-L33 PolarHBondContact O-N 3.43Å; I30-L33 VanDerWaalsContact O-N 3.08Å; L33-T36 PolarHBondContact O-N 3.27Å; L33-L37 HydrophobicContact CD1-CD1 4.19Å; L33-L37 HydrophobicContact CD1-CG 4.2Å; L33-L37 HydrophobicContact CG-CD1 4.05Å; L33-L37 HydrophobicContact CG-CG 4.42Å; L33-L37 WeakPolarHBondContact O-CG 3.41Å; L33-L37 PolarHBondContact O-N 3.25Å; L33-E535 HydrophobicContact CD2-CB 3.89Å; L33-E535 HydrophobicContact CD2-CG 3.79Å
34	V	85.4	Confident	68.4	Low	17 Å²	17	75.5 Å²	75.5	10%	0.103	40%	0.399	C	S	.	.	H	α-helix	trans	-63.3	-43.7	179.6	177.1	0	0	0	0	110.9	R32 T36 L37 I38 I372 I528 E532	R32-V34 VanDerWaalsContact C-N 3.29Å; R32-V34 PolarHBondContact O-N 2.62Å; V34-T36 VanDerWaalsContact C-N 3.32Å; V34-T36 PolarHBondContact O-N 3.44Å; V34-L37 PolarHBondContact O-N 3.13Å; V34-I38 HydrophobicContact CG1-CD1 3.79Å; V34-I38 HydrophobicContact CG1-CG1 4.38Å; V34-I38 WeakPolarHBondContact O-CB 3.48Å; V34-I38 WeakPolarHBondContact O-CD1 3.4Å; V34-I38 WeakPolarHBondContact O-CG1 3.48Å; V34-I38 PolarHBondContact O-N 2.92Å; V34-I372 HydrophobicContact CG1-CG1 3.98Å; V34-I528 HydrophobicContact CG1-CG2 4.42Å; V34-E532 HydrophobicContact CG2-CG 3.93Å
35	D	85.2	Confident	71	Confident	32 Å²	32	71 Å²	71	17%	0.171	37%	0.365	C	S	.	.	H	α-helix	trans	-61.7	-40.3	176.6	-75.7	-1.2	0	0	0	111.1	R32 I38 E39 H371 R399	R32-D35 CarbonylContact O-C 3.58Å; R32-D35 PolarHBondContact O-N 3.06Å; R32-D35 VanDerWaalsContact O-N 3.08Å; D35-I38 PolarHBondContact O-N 2.94Å; D35-E39 WeakPolarHBondContact O-CG 3.41Å; D35-E39 PolarHBondContact O-N 3.18Å; D35-H371 IonicContact OD1-CE1 3.65Å; D35-H371 IonicContact OD1-NE2 3.27Å; D35-H371 PolarHBondContact OD1-NE2 2.76Å; D35-H371 VanDerWaalsContact OD1-NE2 3.15Å; D35-R399 IonicContact OD2-CZ 2.77Å; D35-R399 IonicContact OD2-NH1 4Å; D35-R399 PolarHBondContact OD2-NH1 3.34Å; D35-R399 IonicContact OD2-NH2 3.89Å
36	T	85.9	Confident	73	Confident	39 Å²	39	70 Å²	70	24%	0.239	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-46.3	175.4	-53.9	0	0	0	0	111.6	I28 R32 L33 V34 I38 E39 T40	I28-T36 HydrophobicContact CD1-CG2 3.79Å; R32-T36 PolarHBondContact O-N 3.43Å; R32-T36 PolarHBondContact O-OG1 3.22Å; L33-T36 PolarHBondContact O-N 3.27Å; V34-T36 VanDerWaalsContact C-N 3.32Å; V34-T36 PolarHBondContact O-N 3.44Å; T36-I38 VanDerWaalsContact C-N 3.31Å; T36-I38 PolarHBondContact O-N 2.8Å; T36-E39 WeakPolarHBondContact O-CB 3.46Å; T36-E39 PolarHBondContact O-N 3.21Å; T36-E39 VanDerWaalsContact O-N 3.12Å; T36-T40 WeakPolarHBondContact O-CG2 3.19Å; T36-T40 PolarHBondContact O-N 3.31Å; T36-T40 PolarHBondContact O-OG1 3.26Å
37	L	88.1	Confident	74.3	Confident	31 Å²	31	68.5 Å²	68.5	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-39.3	176.9	-71.3	175.2	0	0	0	111.7	L33 V34 E39 T40 Y41 I528 A531	L33-L37 HydrophobicContact CD1-CD1 4.19Å; L33-L37 HydrophobicContact CD1-CG 4.2Å; L33-L37 HydrophobicContact CG-CD1 4.05Å; L33-L37 HydrophobicContact CG-CG 4.42Å; L33-L37 WeakPolarHBondContact O-CG 3.41Å; L33-L37 PolarHBondContact O-N 3.25Å; V34-L37 PolarHBondContact O-N 3.13Å; L37-E39 VanDerWaalsContact C-N 3.32Å; L37-T40 WeakPolarHBondContact CA-OG1 3.45Å; L37-T40 PolarHBondContact O-N 3.34Å; L37-T40 PolarHBondContact O-OG1 3.01Å; L37-Y41 HydrophobicContact CD2-CE2 4.5Å; L37-Y41 WeakPolarHBondContact O-CD2 2.91Å; L37-Y41 PolarHBondContact O-N 2.82Å; L37-I528 HydrophobicContact CB-CG1 4.32Å; L37-I528 HydrophobicContact CB-CG2 4.43Å; L37-I528 HydrophobicContact CD1-CG2 4.26Å; L37-A531 HydrophobicContact CD1-CB 4.01Å
38	I	88.3	Confident	75	Confident	11 Å²	11	64 Å²	64	6%	0.056	33%	0.334	C	S	.	.	H	α-helix	trans	-60.2	-45.5	173.3	-72.3	165.6	0	0	0	110	V34 D35 T36 R42 I372 L376 I528	V34-I38 HydrophobicContact CG1-CD1 3.79Å; V34-I38 HydrophobicContact CG1-CG1 4.38Å; V34-I38 WeakPolarHBondContact O-CB 3.48Å; V34-I38 WeakPolarHBondContact O-CD1 3.4Å; V34-I38 WeakPolarHBondContact O-CG1 3.48Å; V34-I38 PolarHBondContact O-N 2.92Å; D35-I38 PolarHBondContact O-N 2.94Å; T36-I38 VanDerWaalsContact C-N 3.31Å; T36-I38 PolarHBondContact O-N 2.8Å; I38-R42 WeakPolarHBondContact O-CB 3.44Å; I38-R42 PolarHBondContact O-N 3.27Å; I38-I372 HydrophobicContact CG1-CG2 4.4Å; I38-L376 HydrophobicContact CG2-CD2 4.48Å; I38-I528 HydrophobicContact CG1-CD1 4.39Å
39	E	87	Confident	74.8	Confident	67 Å²	67	69.9 Å²	69.9	31%	0.313	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-39.9	178.2	-75.8	175.4	-168.9	0	0	113	D35 T36 L37 K43 R427	D35-E39 WeakPolarHBondContact O-CG 3.41Å; D35-E39 PolarHBondContact O-N 3.18Å; T36-E39 WeakPolarHBondContact O-CB 3.46Å; T36-E39 PolarHBondContact O-N 3.21Å; T36-E39 VanDerWaalsContact O-N 3.12Å; L37-E39 VanDerWaalsContact C-N 3.32Å; E39-K43 WeakPolarHBondContact O-CG 3.5Å; E39-K43 PolarHBondContact O-N 3.4Å; E39-K43 VanDerWaalsContact O-N 3.16Å; E39-R427 IonicContact OE1-CZ 3.88Å; E39-R427 VanDerWaalsContact OE1-CZ 3.22Å; E39-R427 IonicContact OE1-NH1 2.64Å; E39-R427 PolarHBondContact OE1-NH1 2.9Å; E39-R427 IonicContact OE1-NH2 3.55Å; E39-R427 PolarHBondContact OE1-NH2 3.12Å; E39-R427 IonicContact OE2-NH2 2.9Å
40	T	87.6	Confident	74.1	Confident	59 Å²	59	70.7 Å²	70.7	36%	0.362	37%	0.365	S	S	.	.	H	α-helix	trans	-65.8	-53.8	177.5	55.6	0	0	0	0	110.8	T36 L37 R42 K43 D44	T36-T40 WeakPolarHBondContact O-CG2 3.19Å; T36-T40 PolarHBondContact O-N 3.31Å; T36-T40 PolarHBondContact O-OG1 3.26Å; L37-T40 WeakPolarHBondContact CA-OG1 3.45Å; L37-T40 PolarHBondContact O-N 3.34Å; L37-T40 PolarHBondContact O-OG1 3.01Å; T40-R42 PolarHBondContact O-N 2.68Å; T40-K43 WeakPolarHBondContact O-CB 3.49Å; T40-K43 PolarHBondContact O-N 3.06Å; T40-K43 VanDerWaalsContact O-N 3.08Å; T40-D44 PolarHBondContact O-N 3.36Å
41	Y	87.9	Confident	73.6	Confident	57 Å²	57	69.1 Å²	69.1	22%	0.224	36%	0.359	C	S	.	.	H	α-helix	trans	-65.2	-30.5	-179.7	-76.3	-62.1	0	0	0	112.4	L37 D44 I45 I524 I528	L37-Y41 HydrophobicContact CD2-CE2 4.5Å; L37-Y41 WeakPolarHBondContact O-CD2 2.91Å; L37-Y41 PolarHBondContact O-N 2.82Å; Y41-D44 PolarHBondContact O-N 3.26Å; Y41-I45 WeakPolarHBondContact O-CD1 3.48Å; Y41-I45 WeakPolarHBondContact O-CG1 3.39Å; Y41-I45 PolarHBondContact O-N 3.48Å; Y41-I524 HydrophobicContact CD1-CG2 3.86Å; Y41-I524 HydrophobicContact CD2-CG2 3.97Å; Y41-I524 HydrophobicContact CE1-CG2 4.46Å; Y41-I524 HydrophobicContact CG-CG2 3.59Å; Y41-I528 HydrophobicContact CD2-CD1 3.76Å; Y41-I528 HydrophobicContact CD2-CG1 3.62Å; Y41-I528 HydrophobicContact CE2-CD1 4.3Å; Y41-I528 HydrophobicContact CE2-CG1 3.64Å
42	R	85	Confident	72.2	Confident	109 Å²	109	74.1 Å²	74.1	41%	0.411	38%	0.381	S	S	.	.	H	α-helix	trans	-65.2	-39.8	173.9	-177.2	179	174.9	178.5	2.6	112	I38 T40 D44 I45 C46	I38-R42 WeakPolarHBondContact O-CB 3.44Å; I38-R42 PolarHBondContact O-N 3.27Å; T40-R42 PolarHBondContact O-N 2.68Å; R42-D44 VanDerWaalsContact C-N 3.32Å; R42-I45 PolarHBondContact O-N 2.84Å; R42-C46 PolarHBondContact O-N 3.27Å; R42-C46 PolarHBondContact O-SG 2.91Å
43	K	84.1	Confident	70.4	Confident	147 Å²	147	75.1 Å²	75.1	64%	0.639	40%	0.395	S	S	*	.	H	α-helix	trans	-61.9	-43.1	174.8	-72.9	173.2	-176.8	177.9	0	110.7	E39 T40 I45 C46 S47	E39-K43 WeakPolarHBondContact O-CG 3.5Å; E39-K43 PolarHBondContact O-N 3.4Å; E39-K43 VanDerWaalsContact O-N 3.16Å; T40-K43 WeakPolarHBondContact O-CB 3.49Å; T40-K43 PolarHBondContact O-N 3.06Å; T40-K43 VanDerWaalsContact O-N 3.08Å; K43-I45 PolarHBondContact O-N 2.92Å; K43-C46 PolarHBondContact O-N 3.36Å; K43-S47 PolarHBondContact O-N 2.9Å; K43-S47 PolarHBondContact O-OG 2.96Å
44	D	82.3	Confident	67.9	Low	89 Å²	89	77.5 Å²	77.5	48%	0.476	41%	0.414	S	S	.	.	H	α-helix	trans	-62.1	-42.8	177.3	-58.8	-18.9	0	0	0	112	T40 Y41 R42 C46 S47 D48	T40-D44 PolarHBondContact O-N 3.36Å; Y41-D44 PolarHBondContact O-N 3.26Å; R42-D44 VanDerWaalsContact C-N 3.32Å; D44-C46 VanDerWaalsContact C-N 3.32Å; D44-C46 PolarHBondContact O-N 3.21Å; D44-S47 WeakPolarHBondContact CA-OG 3.32Å; D44-S47 PolarHBondContact O-N 2.98Å; D44-S47 PolarHBondContact O-OG 3.36Å; D44-D48 PolarHBondContact O-N 3.48Å
45	I	80.5	Confident	65.2	Low	24 Å²	24	81.2 Å²	81.2	12%	0.123	44%	0.441	C	S	.	.	H	α-helix	trans	-64	-36.8	176.6	-67.4	160.6	0	0	0	111.4	Y41 R42 K43 V51 L376 L521 I524	Y41-I45 WeakPolarHBondContact O-CD1 3.48Å; Y41-I45 WeakPolarHBondContact O-CG1 3.39Å; Y41-I45 PolarHBondContact O-N 3.48Å; R42-I45 PolarHBondContact O-N 2.84Å; K43-I45 PolarHBondContact O-N 2.92Å; I45-V51 HydrophobicContact CG2-CG2 3.83Å; I45-V51 VanDerWaalsContact O-CG2 3.28Å; I45-V51 WeakPolarHBondContact O-CG2 3.37Å; I45-L376 HydrophobicContact CD1-CD2 4.28Å; I45-L521 HydrophobicContact CD1-CD2 3.67Å; I45-I524 HydrophobicContact CD1-CD1 3.74Å; I45-I524 HydrophobicContact CG1-CD1 3.87Å
46	C	71.3	Confident	62.4	Low	70 Å²	70	86.7 Å²	86.7	47%	0.473	47%	0.47	S	S	.	.	H	α-helix	trans	-76.4	-28	178.2	-73.5	0	0	0	0	113.4	R42 K43 D44 D48	R42-C46 PolarHBondContact O-N 3.27Å; R42-C46 PolarHBondContact O-SG 2.91Å; K43-C46 PolarHBondContact O-N 3.36Å; D44-C46 VanDerWaalsContact C-N 3.32Å; D44-C46 PolarHBondContact O-N 3.21Å; C46-D48 VanDerWaalsContact C-N 3.33Å
47	S	61.4	Low	59.5	Low	85 Å²	85	89 Å²	89	59%	0.594	49%	0.493	S	S	*	.	H	α-helix	trans	-73.9	-23.8	176.1	49.4	0	0	0	0	113.3	K43 D44 E49	K43-S47 PolarHBondContact O-N 2.9Å; K43-S47 PolarHBondContact O-OG 2.96Å; D44-S47 WeakPolarHBondContact CA-OG 3.32Å; D44-S47 PolarHBondContact O-N 2.98Å; D44-S47 PolarHBondContact O-OG 3.36Å; S47-E49 PolarHBondContact O-N 3.01Å; S47-E49 VanDerWaalsContact O-N 3.14Å
48	D	52.4	Low	56.6	Low	95 Å²	95	93.2 Å²	93.2	51%	0.508	52%	0.52	S	S	.	.	S	Bend	trans	-70.9	102.8	164.8	-79.8	-18.5	0	0	0	108.3	D44 C46 S50 V51	D44-D48 PolarHBondContact O-N 3.48Å; C46-D48 VanDerWaalsContact C-N 3.33Å; D48-S50 PolarHBondContact O-N 3.18Å; D48-V51 PolarHBondContact O-N 3.4Å
49	E	37.9	Very low	53.6	Low	203 Å²	203	97.6 Å²	97.6	95%	0.949	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	14.5	-178.4	-68.6	-171.7	147.8	0	0	116	S47	S47-E49 PolarHBondContact O-N 3.01Å; S47-E49 VanDerWaalsContact O-N 3.14Å
50	S	39.3	Very low	50.7	Low	84 Å²	84	100.5 Å²	100.5	59%	0.587	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	9.9	177.6	59.1	0	0	0	0	114.3	D48 R520	D48-S50 PolarHBondContact O-N 3.18Å; S50-R520 PolarHBondContact OG-NH2 3.07Å
51	V	41.4	Very low	47.8	Very low	49 Å²	49	100.5 Å²	100.5	30%	0.297	59%	0.585	S	S	.	*			trans	-106.4	94.8	175.4	-168.4	0	0	0	0	108.9	I45 D48 V53	I45-V51 HydrophobicContact CG2-CG2 3.83Å; I45-V51 VanDerWaalsContact O-CG2 3.28Å; I45-V51 WeakPolarHBondContact O-CG2 3.37Å; D48-V51 PolarHBondContact O-N 3.4Å; V51-V53 HydrophobicContact CG1-CG2 3.91Å; V51-V53 PolarHBondContact O-N 3.25Å
52	E	28.8	Very low	44.8	Very low	172 Å²	172	104.2 Å²	104.2	80%	0.804	61%	0.613	S	S	*	*			trans	-56.6	89	153.7	-80.5	-175.6	162.4	0	0	108	C54	E52-C54 VanDerWaalsContact C-N 3.25Å; E52-C54 PolarHBondContact O-N 3.31Å; E52-C54 VanDerWaalsContact O-N 3.08Å
53	V	36	Very low	41.9	Very low	95 Å²	95	105.9 Å²	105.9	58%	0.576	63%	0.63	S	S	*	*			trans	-70.5	97.7	155.1	-178.7	0	0	0	0	103.3	V51 S55	V51-V53 HydrophobicContact CG1-CG2 3.91Å; V51-V53 PolarHBondContact O-N 3.25Å; V53-S55 PolarHBondContact O-N 3.18Å
54	C	31	Very low	39	Very low	92 Å²	92	107.2 Å²	107.2	62%	0.622	64%	0.638	S	S	*	*			trans	-55.4	88.6	176.7	-53.6	0	0	0	0	109.8	E52	E52-C54 VanDerWaalsContact C-N 3.25Å; E52-C54 PolarHBondContact O-N 3.31Å; E52-C54 VanDerWaalsContact O-N 3.08Å
55	S	27.1	Very low	36.2	Very low	95 Å²	95	109.6 Å²	109.6	66%	0.664	65%	0.651	S	S	*	*			trans	-67.7	132.7	146	49.2	0	0	0	0	106.1	V53	V53-S55 PolarHBondContact O-N 3.18Å
56	D	26.1	Very low	33.5	Very low	147 Å²	147	117.1 Å²	117.1	79%	0.786	69%	0.686	S	S	*	*			trans	73.5	56.9	164.7	-46.5	-30	0	0	0	117.4
57	A	25.9	Very low	31.3	Very low	87 Å²	87	119.2 Å²	119.2	72%	0.719	70%	0.701	S	S	*	*			trans	-99	85	143.1	0	0	0	0	0	108.7
58	V	26.3	Very low	29.6	Very low	121 Å²	121	120.6 Å²	120.6	73%	0.733	71%	0.711	S	S	*	*			trans	-52.5	130.9	164	178.1	0	0	0	0	107.4
59	P	26	Very low	28.3	Very low	102 Å²	102	121.4 Å²	121.4	66%	0.662	72%	0.719	S	S	*	*			trans	-59.1	139.6	178.7	23.9	-31.5	0	0	0	108.8	G61	P59-G61 PolarHBondContact O-N 3.27Å
60	P	26.6	Very low	27.8	Very low	128 Å²	128	118 Å²	118	83%	0.831	71%	0.713	S	S	*	*			trans	-55.8	115.7	169.5	-10.2	21.7	0	0	0	106.5	V62	P60-V62 PolarHBondContact O-N 2.75Å
61	G	25.6	Very low	27	Very low	59 Å²	59	121.1 Å²	121.1	61%	0.608	72%	0.718	S	S	*	*			trans	-50.5	139	166.8	0	0	0	0	0	107.4	P59 L63	P59-G61 PolarHBondContact O-N 3.27Å; G61-L63 PolarHBondContact O-N 3.25Å
62	V	26	Very low	26.4	Very low	135 Å²	135	128.5 Å²	128.5	82%	0.818	75%	0.746	S	S	*	*			trans	-63.1	84.7	171.5	-177	0	0	0	0	106.2	P60 E64	P60-V62 PolarHBondContact O-N 2.75Å; V62-E64 HydrophobicContact CG1-CG 4.22Å; V62-E64 PolarHBondContact O-N 3.35Å
63	L	23.3	Very low	26.3	Very low	144 Å²	144	124.8 Å²	124.8	75%	0.754	74%	0.735	S	S	*	*			trans	-81.6	102.3	163.7	-74.1	171.6	0	0	0	104.9	G61 D65	G61-L63 PolarHBondContact O-N 3.25Å; L63-D65 PolarHBondContact O-N 3.15Å
64	E	24.6	Very low	25.9	Very low	176 Å²	176	127.3 Å²	127.3	82%	0.822	75%	0.746	S	S	*	*			trans	-66	75.5	163.1	-63.6	-179.7	157.5	0	0	107.7	V62	V62-E64 HydrophobicContact CG1-CG 4.22Å; V62-E64 PolarHBondContact O-N 3.35Å
65	D	22.8	Very low	25.8	Very low	138 Å²	138	129 Å²	129	74%	0.738	75%	0.753	S	S	*	*			trans	-103.2	109.3	167.3	-81.4	-32.8	0	0	0	109.1	L63	L63-D65 PolarHBondContact O-N 3.15Å
66	E	23.9	Very low	26	Very low	183 Å²	183	129.4 Å²	129.4	86%	0.855	75%	0.751	S	S	*	*			trans	-55.4	158	165.8	-59.6	-143.8	146.6	0	0	111.4
67	S	24	Very low	26	Very low	113 Å²	113	133 Å²	133	79%	0.79	75%	0.754	S	S	*	*			trans	90.6	74	171.9	80.5	0	0	0	0	117.7
68	S	26.8	Very low	26.1	Very low	114 Å²	114	135.4 Å²	135.4	80%	0.797	76%	0.755	S	S	*	*				-174.2	76.1	126.2	41.6	0	0	0	0	110.1	T70	S68-T70 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 2.99Å
69	T	24.1	Very low	26.1	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.693	76%	0.755	S	S	*	*			trans	-49.1	86.1	171.2	-50.8	0	0	0	0	112.1	Q71	T69-Q71 HydrophobicContact CG2-CB 4.46Å; T69-Q71 HydrophobicContact CG2-CG 3.56Å
70	T	27.3	Very low	26.1	Very low	132 Å²	132	140.4 Å²	140.4	81%	0.81	76%	0.763	S	S	*	*			trans	-99.6	83.5	150.3	33.4	0	0	0	0	107.2	S68 F72	S68-T70 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 2.99Å; T70-F72 VanDerWaalsContact C-N 3.32Å; T70-F72 PolarHBondContact O-N 3.45Å
71	Q	24.5	Very low	26.3	Very low	148 Å²	148	140.2 Å²	140.2	69%	0.692	76%	0.755	S	S	*	*			trans	-55.9	90	172	-84.8	169	2.4	0	0	110.6	T69 T73	T69-Q71 HydrophobicContact CG2-CB 4.46Å; T69-Q71 HydrophobicContact CG2-CG 3.56Å; Q71-T73 HydrophobicContact CB-CG2 3.97Å; Q71-T73 HydrophobicContact CG-CG2 3.82Å; Q71-T73 PolarHBondContact O-N 3.44Å
72	F	28.3	Very low	26.4	Very low	205 Å²	205	148.7 Å²	148.7	90%	0.899	77%	0.769	S	S	*	*			trans	-84.3	74.6	136.1	-80.3	-81.2	0	0	0	106.5	T70 D74	T70-F72 VanDerWaalsContact C-N 3.32Å; T70-F72 PolarHBondContact O-N 3.45Å; F72-D74 PolarHBondContact O-N 3.43Å
73	T	25.9	Very low	26.6	Very low	93 Å²	93	148.8 Å²	148.8	57%	0.571	77%	0.77	S	S	*	*			trans	-55.4	127.9	166.5	42.3	0	0	0	0	108.4	Q71 V75	Q71-T73 HydrophobicContact CB-CG2 3.97Å; Q71-T73 HydrophobicContact CG-CG2 3.82Å; Q71-T73 PolarHBondContact O-N 3.44Å; T73-V75 PolarHBondContact O-N 2.97Å
74	D	28.2	Very low	26.8	Very low	148 Å²	148	153 Å²	153	79%	0.791	78%	0.775	S	S	*	*			trans	-41.6	113	167.6	-78.2	-41.1	0	0	0	110.2	F72 V76	F72-D74 PolarHBondContact O-N 3.43Å; D74-V76 HydrophobicContact CB-CG2 4.12Å; D74-V76 PolarHBondContact O-N 2.81Å
75	V	29	Very low	26.8	Very low	129 Å²	129	154.1 Å²	154.1	78%	0.782	78%	0.778	S	S	*	*			trans	-78.6	81.1	165.6	-176.2	0	0	0	0	106.8	T73 R77	T73-V75 PolarHBondContact O-N 2.97Å; V75-R77 HydrophobicContact CG1-CG 4.44Å; V75-R77 PolarHBondContact O-N 3Å
76	V	30.5	Very low	27	Very low	103 Å²	103	157 Å²	157	62%	0.624	78%	0.784	S	S	*	*			trans	-68.4	98.8	164.5	-178.5	0	0	0	0	106.9	D74 D78	D74-V76 HydrophobicContact CB-CG2 4.12Å; D74-V76 PolarHBondContact O-N 2.81Å; V76-D78 PolarHBondContact O-N 3.05Å
77	R	26.8	Very low	27.1	Very low	222 Å²	222	157.8 Å²	157.8	84%	0.838	78%	0.784	S	S	*	*			trans	-82.3	95.5	161.1	-94.8	-178.9	167.5	160.6	-2.6	107.9	V75 K79	V75-R77 HydrophobicContact CG1-CG 4.44Å; V75-R77 PolarHBondContact O-N 3Å; R77-K79 PolarHBondContact O-N 3.11Å
78	D	27.7	Very low	27.5	Very low	138 Å²	138	159.4 Å²	159.4	74%	0.738	78%	0.784	S	S	*	*			trans	-64.6	103.9	160.6	-77.3	-30.9	0	0	0	108.4	V76	V76-D78 PolarHBondContact O-N 3.05Å
79	K	26.7	Very low	27.8	Very low	168 Å²	168	162.7 Å²	162.7	73%	0.73	79%	0.787	S	S	*	*			trans	-87.1	105.5	156.4	-84.4	-170.9	174.7	-175.7	0	107.1	R77 N81	R77-K79 PolarHBondContact O-N 3.11Å; K79-N81 PolarHBondContact O-N 3.11Å
80	N	25.7	Very low	28.2	Very low	159 Å²	159	162.5 Å²	162.5	85%	0.85	79%	0.79	S	S	*	*			trans	-57.9	79.7	157.3	-78.2	-16.7	0	0	0	109	R82	N80-R82 PolarHBondContact O-N 3.3Å
81	N	31.4	Very low	28.8	Very low	124 Å²	124	162.9 Å²	162.9	66%	0.663	78%	0.783	S	S	*	*			trans	-80.9	105.3	171.1	-90.2	-11.3	0	0	0	107.6	K79 V83	K79-N81 PolarHBondContact O-N 3.11Å; N81-V83 PolarHBondContact O-N 2.91Å; N81-V83 VanDerWaalsContact O-N 3.08Å
82	R	27.8	Very low	29.6	Very low	238 Å²	238	165.9 Å²	165.9	90%	0.898	79%	0.794	S	S	*	*			trans	-41.6	117.3	165.9	-71.7	177.2	173.2	172	-2.8	109	N80 R84	N80-R82 PolarHBondContact O-N 3.3Å; R82-R84 VanDerWaalsContact C-N 3.27Å; R82-R84 PolarHBondContact O-N 2.95Å
83	V	30	Very low	30.4	Very low	137 Å²	137	161 Å²	161	83%	0.83	77%	0.772	S	S	*	*			trans	-60	96.5	164.4	178.7	0	0	0	0	106.1	N81 K85	N81-V83 PolarHBondContact O-N 2.91Å; N81-V83 VanDerWaalsContact O-N 3.08Å; V83-K85 PolarHBondContact O-N 3.26Å
84	R	26.5	Very low	31.5	Very low	231 Å²	231	162.1 Å²	162.1	87%	0.872	77%	0.774	S	S	*	*			trans	-65.1	105.9	162.7	-81.7	-175.8	168.2	178.8	-3.4	105.4	R82 K86	R82-R84 VanDerWaalsContact C-N 3.27Å; R82-R84 PolarHBondContact O-N 2.95Å; R84-K86 VanDerWaalsContact C-N 3.35Å; R84-K86 PolarHBondContact O-N 2.77Å
85	K	25.1	Very low	33	Very low	201 Å²	201	156.9 Å²	156.9	87%	0.874	75%	0.745	S	S	*	*			trans	-48.1	106	158.1	-89.7	-179.9	170.3	178.4	0	106	V83 K87	V83-K85 PolarHBondContact O-N 3.26Å; K85-K87 PolarHBondContact O-N 2.88Å
86	K	27.4	Very low	34.4	Very low	197 Å²	197	154.2 Å²	154.2	86%	0.857	74%	0.737	S	S	*	*			trans	-60.3	125.9	160.8	-97.1	-176.7	169.3	-174.1	0	105	R84 D88	R84-K86 VanDerWaalsContact C-N 3.35Å; R84-K86 PolarHBondContact O-N 2.77Å; K86-D88 PolarHBondContact O-N 2.97Å
87	K	25.8	Very low	36.3	Very low	200 Å²	200	153.5 Å²	153.5	87%	0.87	73%	0.726	S	S	*	*			trans	-52.8	123.3	165.3	-101.1	177.3	167.6	-179.5	0	106.4	K85 E89	K85-K87 PolarHBondContact O-N 2.88Å; K87-E89 PolarHBondContact O-N 3.1Å
88	D	32.2	Very low	38.6	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	71%	0.709	S	S	*	*			trans	-54.8	112.9	168.6	-66.1	-48.6	0	0	0	107.2	K86 S90	K86-D88 PolarHBondContact O-N 2.97Å; D88-S90 PolarHBondContact O-N 3.25Å; D88-S90 VanDerWaalsContact O-N 3.11Å
89	E	33.5	Very low	40.6	Very low	183 Å²	183	140.6 Å²	140.6	86%	0.855	68%	0.683	S	S	*	*			trans	-63.2	113.2	166.5	-75.9	-171.6	163.2	0	0	106.3	K87 E91	K87-E89 PolarHBondContact O-N 3.1Å; E89-E91 PolarHBondContact O-N 3.03Å; E89-E91 VanDerWaalsContact O-N 3.13Å
90	S	32.7	Very low	42.2	Very low	108 Å²	108	138.8 Å²	138.8	76%	0.755	69%	0.686	S	S	*	*			trans	-16.7	106.3	172.2	48.8	0	0	0	0	113.5	D88 K92	D88-S90 PolarHBondContact O-N 3.25Å; D88-S90 VanDerWaalsContact O-N 3.11Å; S90-K92 PolarHBondContact O-N 2.84Å; S90-K92 VanDerWaalsContact O-N 3.11Å
91	E	39.5	Very low	44.2	Very low	141 Å²	141	140.1 Å²	140.1	66%	0.659	68%	0.684	S	S	*	*			trans	-57.3	107.6	179.4	-63.9	174.1	141	0	0	110.1	E89 F93 N94	E89-E91 PolarHBondContact O-N 3.03Å; E89-E91 VanDerWaalsContact O-N 3.13Å; E91-F93 PolarHBondContact O-N 3.21Å; E91-N94 PolarHBondContact OE2-OD1 3.35Å
92	K	41.8	Very low	46.6	Very low	211 Å²	211	138 Å²	138	92%	0.917	67%	0.668	S	S	*	*	S	Bend	trans	-75.1	-1	169	-80.7	-174.5	178	178.6	0	112.9	S90	S90-K92 PolarHBondContact O-N 2.84Å; S90-K92 VanDerWaalsContact O-N 3.11Å
93	F	43.5	Very low	49.3	Very low	101 Å²	101	134.4 Å²	134.4	44%	0.443	66%	0.658	S	S	.	*			trans	-155.1	112.1	177.7	-157.7	-92.8	0	0	0	112.6	E91 F95 I305	E91-F93 PolarHBondContact O-N 3.21Å; F93-F95 HydrophobicContact CD1-CD1 4.41Å; F93-F95 AromaticContact CD1-CD2 3.58Å; F93-F95 HydrophobicContact CD1-CD2 3.58Å; F93-F95 HydrophobicContact CD1-CE1 4.44Å; F93-F95 AromaticContact CD1-CE2 3.63Å; F93-F95 HydrophobicContact CD1-CE2 3.63Å; F93-F95 HydrophobicContact CD1-CG 4.02Å; F93-F95 HydrophobicContact CD1-CZ 4.08Å; F93-F95 AromaticContact CE1-CD1 3.98Å; F93-F95 HydrophobicContact CE1-CD1 3.98Å; F93-F95 AromaticContact CE1-CD2 3.97Å; F93-F95 HydrophobicContact CE1-CD2 3.97Å; F93-F95 HydrophobicContact CE1-CE1 4.11Å; F93-F95 HydrophobicContact CE1-CE2 4.12Å; F93-F95 AromaticContact CE1-CG 3.93Å; F93-F95 HydrophobicContact CE1-CG 3.93Å; F93-F95 HydrophobicContact CE1-CZ 4.19Å; F93-I305 HydrophobicContact CD2-CD1 4.19Å; F93-I305 HydrophobicContact CD2-CG1 4.15Å; F93-I305 HydrophobicContact CE2-CG1 4.13Å; F93-I305 HydrophobicContact CG-CD1 4.42Å; F93-I305 HydrophobicContact CG-CG1 4.48Å; F93-I305 HydrophobicContact CZ-CG1 4.43Å
94	N	50.2	Low	51.9	Low	117 Å²	117	133.1 Å²	133.1	63%	0.626	64%	0.643	S	S	*	*			trans	-94.3	116	167.5	-74.4	1.5	0	0	0	108.3	E91	E91-N94 PolarHBondContact OE2-OD1 3.35Å
95	F	59	Low	54.9	Low	38 Å²	38	122.7 Å²	122.7	17%	0.167	61%	0.605	C	S	.	*			trans	-69.4	131.9	170.2	-69.7	-108.4	0	0	0	108.8	F93 H97 P311 Q313	F93-F95 HydrophobicContact CD1-CD1 4.41Å; F93-F95 AromaticContact CD1-CD2 3.58Å; F93-F95 HydrophobicContact CD1-CD2 3.58Å; F93-F95 HydrophobicContact CD1-CE1 4.44Å; F93-F95 AromaticContact CD1-CE2 3.63Å; F93-F95 HydrophobicContact CD1-CE2 3.63Å; F93-F95 HydrophobicContact CD1-CG 4.02Å; F93-F95 HydrophobicContact CD1-CZ 4.08Å; F93-F95 AromaticContact CE1-CD1 3.98Å; F93-F95 HydrophobicContact CE1-CD1 3.98Å; F93-F95 AromaticContact CE1-CD2 3.97Å; F93-F95 HydrophobicContact CE1-CD2 3.97Å; F93-F95 HydrophobicContact CE1-CE1 4.11Å; F93-F95 HydrophobicContact CE1-CE2 4.12Å; F93-F95 AromaticContact CE1-CG 3.93Å; F93-F95 HydrophobicContact CE1-CG 3.93Å; F93-F95 HydrophobicContact CE1-CZ 4.19Å; F95-H97 VanDerWaalsContact C-N 3.32Å; F95-H97 PolarHBondContact O-N 2.79Å; F95-P311 HydrophobicContact CD1-CG 3.93Å; F95-P311 HydrophobicContact CE1-CG 3.92Å; F95-Q313 HydrophobicContact CB-CG 3.62Å; F95-Q313 HydrophobicContact CD1-CG 3.4Å; F95-Q313 HydrophobicContact CD2-CG 4.32Å; F95-Q313 HydrophobicContact CE1-CG 4.03Å; F95-Q313 HydrophobicContact CG-CG 3.56Å; F95-Q313 VanDerWaalsContact CZ-NE2 3.33Å
96	A	58.9	Low	57.9	Low	74 Å²	74	117 Å²	117	61%	0.612	59%	0.591	S	S	*	*	S	Bend	trans	-69.9	-28.5	-173.9	0	0	0	0	0	113.3
97	H	70.9	Confident	60.9	Low	87 Å²	87	109.1 Å²	109.1	40%	0.403	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-135.5	116.7	-172.9	-63.2	-77.2	0	0	0	111.9	F95 R144 D310 V312 Q313	F95-H97 VanDerWaalsContact C-N 3.32Å; F95-H97 PolarHBondContact O-N 2.79Å; H97-R144 PolarHBondContact CD2-NH2 3.24Å; H97-D310 IonicContact CD2-OD1 3.6Å; H97-D310 IonicContact CD2-OD2 3.59Å; H97-V312 HydrophobicContact CB-CG2 4.42Å; H97-V312 WeakPolarHBondContact O-CA 3.44Å; H97-Q313 PolarHBondContact O-N 2.79Å
98	A	74	Confident	64.1	Low	58 Å²	58	99.9 Å²	99.9	48%	0.479	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.4	171.6	0	0	0	0	0	110.6	T100 Q313	A98-T100 PolarHBondContact O-N 2.95Å; A98-T100 VanDerWaalsContact O-N 3.1Å; A98-Q313 HydrophobicContact CB-CB 4.19Å
99	V	69.8	Low	67	Low	32 Å²	32	98.5 Å²	98.5	19%	0.194	51%	0.512	C	S	.	.			trans	-76.4	97.2	170.6	-179.6	0	0	0	0	108	K101 A135 V139 V312 Q313 V314	V99-K101 WeakPolarHBondContact CG1-O 3.4Å; V99-A135 HydrophobicContact CG1-CB 4.48Å; V99-V139 HydrophobicContact CG2-CG2 4.22Å; V99-V312 HydrophobicContact CG2-CG1 3.42Å; V99-V312 VanDerWaalsContact CG2-CG1 3.42Å; V99-Q313 PolarHBondContact N-O 3.08Å; V99-V314 HydrophobicContact CB-CG2 4.17Å; V99-V314 HydrophobicContact CG2-CG2 3.89Å
100	T	61.1	Low	69.8	Low	129 Å²	129	94 Å²	94	79%	0.791	49%	0.491	S	S	*	.			trans	-85.1	-27.6	173.5	52.4	0	0	0	0	112.2	A98	A98-T100 PolarHBondContact O-N 2.95Å; A98-T100 VanDerWaalsContact O-N 3.1Å
101	K	68.1	Low	72.6	Confident	187 Å²	187	89.5 Å²	89.5	81%	0.813	46%	0.458	S	S	*	.			trans	-134.3	129.5	179.8	-64.7	-178.1	-179	179.3	0	109.3	V99	V99-K101 WeakPolarHBondContact CG1-O 3.4Å
102	Y	81.3	Confident	74.9	Confident	81 Å²	81	87.3 Å²	87.3	32%	0.318	46%	0.458	S	S	.	.			trans	-119.4	147.9	170	61.8	-88.5	0	0	0	109.1	Q104 P131 C134 A135 L316	Y102-Q104 HydrophobicContact CE2-CB 4.28Å; Y102-Q104 PolarHBondContact O-N 2.81Å; Y102-P131 HydrophobicContact CE2-CB 4.11Å; Y102-P131 WeakPolarHBondContact OH-CB 3.27Å; Y102-C134 HydrophobicContact CD2-CB 3.76Å; Y102-C134 HydrophobicContact CE2-CB 4.28Å; Y102-A135 HydrophobicContact CD1-CB 4.11Å; Y102-A135 HydrophobicContact CG-CB 3.95Å; Y102-L316 HydrophobicContact CD1-CD2 3.94Å; Y102-L316 HydrophobicContact CE1-CD1 4.35Å; Y102-L316 HydrophobicContact CE1-CD2 3.58Å
103	K	83.2	Confident	77.4	Confident	161 Å²	161	77.8 Å²	77.8	70%	0.7	42%	0.418	S	S	*	.			trans	-79.4	115.7	172	-174.8	-179.2	177	-171.4	0	108	V105	K103-V105 HydrophobicContact CG-CG1 4.46Å; K103-V105 PolarHBondContact O-N 2.82Å
104	Q	85.9	Confident	79.7	Confident	110 Å²	110	74.2 Å²	74.2	51%	0.514	41%	0.406	S	S	.	.			trans	-73.4	124.6	171	-165.3	168.5	5.8	0	0	108.3	Y102	Y102-Q104 HydrophobicContact CE2-CB 4.28Å; Y102-Q104 PolarHBondContact O-N 2.81Å
105	V	88.3	Confident	81.8	Confident	12 Å²	12	77.2 Å²	77.2	7%	0.073	41%	0.414	C	S	.	.			trans	-105.9	151.9	178.9	-60.2	0	0	0	0	110	K103 E110 L111 P129	K103-V105 HydrophobicContact CG-CG1 4.46Å; K103-V105 PolarHBondContact O-N 2.82Å; V105-E110 HydrophobicContact CB-CB 3.98Å; V105-E110 HydrophobicContact CB-CG 4.44Å; V105-E110 WeakPolarHBondContact CB-OE2 3.26Å; V105-E110 HydrophobicContact CG1-CB 4.05Å; V105-E110 WeakPolarHBondContact CG1-OE2 3.45Å; V105-L111 HydrophobicContact CG2-CD2 4.03Å; V105-L111 HydrophobicContact CG2-CG 4.18Å; V105-P129 HydrophobicContact CG2-CG 3.32Å
106	S	88.2	Confident	83.5	Confident	83 Å²	83	77.7 Å²	77.7	58%	0.58	42%	0.421	S	S	*	.	S	Bend	trans	-82.2	-30.6	-176.6	68.2	0	0	0	0	112.4	E110	S106-E110 PolarHBondContact N-OE1 3.21Å; S106-E110 PolarHBondContact OG-OE1 3.46Å
107	S	91.9	Very high	85.2	Confident	30 Å²	30	74.1 Å²	74.1	21%	0.21	39%	0.392	C	S	.	.	S	Bend	trans	-138.8	152.5	-176.3	178.7	0	0	0	0	112.3	I109 E110 D127	S107-I109 PolarHBondContact O-N 2.8Å; S107-I109 WeakPolarHBondContact OG-CG1 3.42Å; S107-I109 PolarHBondContact OG-N 3.18Å; S107-E110 PolarHBondContact O-N 2.88Å; S107-D127 WeakPolarHBondContact CA-O 3.32Å
108	F	93.3	Very high	86.3	Confident	6 Å²	6	71.5 Å²	71.5	3%	0.026	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-60.2	-22.1	169	-77.7	-83.6	0	0	0	113.7	E110 L111 L113 L118 L121 L126 D127 P129 I137 L162	F108-E110 PolarHBondContact O-N 3.06Å; F108-L111 HydrophobicContact CD1-CD1 3.83Å; F108-L111 HydrophobicContact CE1-CD1 4.35Å; F108-L111 WeakPolarHBondContact O-CB 3.48Å; F108-L111 PolarHBondContact O-N 3.28Å; F108-L113 HydrophobicContact CD1-CD1 4.34Å; F108-L118 HydrophobicContact CB-CD2 3.95Å; F108-L121 HydrophobicContact CB-CD1 3.96Å; F108-L121 HydrophobicContact CD1-CD1 3.79Å; F108-L121 HydrophobicContact CD2-CD1 4.29Å; F108-L121 HydrophobicContact CE1-CD1 4.35Å; F108-L121 HydrophobicContact CG-CD1 3.76Å; F108-L126 VanDerWaalsContact CD2-O 3.29Å; F108-L126 WeakPolarHBondContact CD2-O 3.25Å; F108-L126 HydrophobicContact CE2-CB 4.28Å; F108-D127 WeakPolarHBondContact CD2-O 3.27Å; F108-D127 PolarHBondContact N-O 3.49Å; F108-P129 HydrophobicContact CD1-CB 4.23Å; F108-P129 HydrophobicContact CE1-CB 3.77Å; F108-P129 HydrophobicContact CE2-CB 4.12Å; F108-P129 HydrophobicContact CZ-CB 3.72Å; F108-I137 HydrophobicContact CE1-CD1 4.34Å; F108-L162 HydrophobicContact CD1-CD1 3.93Å; F108-L162 HydrophobicContact CE1-CD1 3.54Å
109	I	91.2	Very high	87.3	Confident	120 Å²	120	74.2 Å²	74.2	62%	0.615	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-59.7	-36.3	177.1	-61.7	170	0	0	0	110.8	S107 L111 S112 L118	S107-I109 PolarHBondContact O-N 2.8Å; S107-I109 WeakPolarHBondContact OG-CG1 3.42Å; S107-I109 PolarHBondContact OG-N 3.18Å; I109-L111 PolarHBondContact O-N 3.4Å; I109-S112 PolarHBondContact O-N 3.07Å; I109-L118 HydrophobicContact CG1-CD1 4.44Å; I109-L118 HydrophobicContact CG1-CD2 4.39Å
110	E	92.3	Very high	88.5	Confident	87 Å²	87	72.7 Å²	72.7	41%	0.407	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-66.6	-16.4	178.8	-64.7	-179.2	-125.7	0	0	113.3	V105 S106 S107 F108 S112	V105-E110 HydrophobicContact CB-CB 3.98Å; V105-E110 HydrophobicContact CB-CG 4.44Å; V105-E110 WeakPolarHBondContact CB-OE2 3.26Å; V105-E110 HydrophobicContact CG1-CB 4.05Å; V105-E110 WeakPolarHBondContact CG1-OE2 3.45Å; S106-E110 PolarHBondContact N-OE1 3.21Å; S106-E110 PolarHBondContact OG-OE1 3.46Å; S107-E110 PolarHBondContact O-N 2.88Å; F108-E110 PolarHBondContact O-N 3.06Å; E110-S112 VanDerWaalsContact C-N 3.25Å; E110-S112 PolarHBondContact O-N 3.22Å
111	L	91.7	Very high	90.1	Very high	14 Å²	14	66.7 Å²	66.7	7%	0.073	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-83.8	3.2	178.6	-59.8	175.7	0	0	0	113.2	V105 F108 I109 L113 P129 I137 P138	V105-L111 HydrophobicContact CG2-CD2 4.03Å; V105-L111 HydrophobicContact CG2-CG 4.18Å; F108-L111 HydrophobicContact CD1-CD1 3.83Å; F108-L111 HydrophobicContact CE1-CD1 4.35Å; F108-L111 WeakPolarHBondContact O-CB 3.48Å; F108-L111 PolarHBondContact O-N 3.28Å; I109-L111 PolarHBondContact O-N 3.4Å; L111-L113 VanDerWaalsContact C-N 3.29Å; L111-L113 HydrophobicContact CB-CD1 4.43Å; L111-L113 HydrophobicContact CB-CG 4.17Å; L111-L113 PolarHBondContact O-N 2.87Å; L111-P129 HydrophobicContact CD1-CB 4.38Å; L111-P129 HydrophobicContact CD1-CG 4.36Å; L111-I137 HydrophobicContact CB-CG2 4.47Å; L111-I137 HydrophobicContact CD1-CB 4.35Å; L111-I137 HydrophobicContact CD1-CD1 3.73Å; L111-I137 HydrophobicContact CD1-CG2 4.17Å; L111-P138 HydrophobicContact CD2-CG 4.1Å
112	S	89.1	Confident	91.3	Very high	95 Å²	95	62.2 Å²	62.2	66%	0.664	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	37.7	174.4	-56.2	0	0	0	0	114.3	I109 E110	I109-S112 PolarHBondContact O-N 3.07Å; E110-S112 VanDerWaalsContact C-N 3.25Å; E110-S112 PolarHBondContact O-N 3.22Å
113	L	92.8	Very high	91.9	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.063	33%	0.331	C	S	.	.			trans	-78.6	158.6	176	-59.3	173.4	0	0	0	111.7	F108 L111 L118 L121 I137 L141 L162 E166	F108-L113 HydrophobicContact CD1-CD1 4.34Å; L111-L113 VanDerWaalsContact C-N 3.29Å; L111-L113 HydrophobicContact CB-CD1 4.43Å; L111-L113 HydrophobicContact CB-CG 4.17Å; L111-L113 PolarHBondContact O-N 2.87Å; L113-L118 HydrophobicContact CB-CD2 4.12Å; L113-L118 HydrophobicContact CB-CG 4.21Å; L113-L118 HydrophobicContact CD1-CD2 4.43Å; L113-L118 WeakPolarHBondContact O-CD1 3.42Å; L113-L121 HydrophobicContact CD1-CD1 4.26Å; L113-I137 HydrophobicContact CD2-CG2 4.45Å; L113-L141 HydrophobicContact CD2-CD1 4.27Å; L113-L162 HydrophobicContact CD1-CB 4.44Å; L113-L162 HydrophobicContact CD1-CD1 4.12Å; L113-L162 HydrophobicContact CD1-CD2 4.3Å; L113-E166 HydrophobicContact CD2-CB 4.31Å; L113-E166 HydrophobicContact CD2-CG 4.24Å
114	A	92.6	Very high	92.2	Very high	25 Å²	25	58 Å²	58	21%	0.207	31%	0.31	C	S	.	.			trans	-62.2	141.5	177.5	0	0	0	0	0	111.6	P116 L117 L118 E166	A114-P116 VanDerWaalsContact C-CD 3.41Å; A114-P116 VanDerWaalsContact C-N 3.31Å; A114-P116 VanDerWaalsContact O-N 3.16Å; A114-L117 PolarHBondContact O-N 3.36Å; A114-L118 PolarHBondContact O-N 3.06Å; A114-L118 VanDerWaalsContact O-N 3.15Å; A114-E166 WeakPolarHBondContact CB-OE2 3.41Å; A114-E166 PolarHBondContact N-OE1 2.85Å; A114-E166 PolarHBondContact N-OE2 3.13Å
115	K	94	Very high	92.4	Very high	180 Å²	180	57.5 Å²	57.5	78%	0.783	32%	0.319	S	S	*	.	H	α-helix	trans	-50	-40.9	-178.9	-63.8	-178.2	179.3	180	0	114	L117 L118 K119	K115-L117 VanDerWaalsContact C-N 3.35Å; K115-L117 PolarHBondContact O-N 2.82Å; K115-L118 PolarHBondContact O-N 3.47Å; K115-K119 PolarHBondContact O-N 3.3Å
116	P	94.5	Very high	92.4	Very high	48 Å²	48	59.6 Å²	59.6	31%	0.312	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-38.1	176.4	-27.2	37.9	0	0	0	114.5	A114 K119 S120 Y205	A114-P116 VanDerWaalsContact C-CD 3.41Å; A114-P116 VanDerWaalsContact C-N 3.31Å; A114-P116 VanDerWaalsContact O-N 3.16Å; P116-K119 PolarHBondContact O-N 2.92Å; P116-S120 PolarHBondContact O-N 3.44Å; P116-S120 VanDerWaalsContact O-N 3.15Å; P116-S120 PolarHBondContact O-OG 3.31Å; P116-Y205 WeakPolarHBondContact CB-O 3.32Å
117	L	94.8	Very high	92.2	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-72.2	-38.6	177.8	-65.3	179.4	0	0	0	111.5	A114 K115 K119 S120 L121 L165 E166 L202	A114-L117 PolarHBondContact O-N 3.36Å; K115-L117 VanDerWaalsContact C-N 3.35Å; K115-L117 PolarHBondContact O-N 2.82Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.47Å; L117-S120 WeakPolarHBondContact CA-OG 3.48Å; L117-S120 PolarHBondContact O-N 3.08Å; L117-S120 PolarHBondContact O-OG 3.49Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.19Å; L117-L121 PolarHBondContact O-N 3.47Å; L117-L165 HydrophobicContact CD1-CB 4.2Å; L117-L165 HydrophobicContact CD2-CB 4.21Å; L117-L165 HydrophobicContact CD2-CD1 4.35Å; L117-E166 HydrophobicContact CD1-CB 4.15Å; L117-E166 WeakPolarHBondContact CD1-OE2 3.3Å; L117-L202 HydrophobicContact CD2-CB 4.41Å
118	L	94.8	Very high	92.2	Very high	31 Å²	31	65.4 Å²	65.4	16%	0.162	35%	0.345	C	S	.	.	H	α-helix	trans	-63	-38.1	174.2	-66.7	174	0	0	0	111.5	F108 I109 L113 A114 K115 L121 T122	F108-L118 HydrophobicContact CB-CD2 3.95Å; I109-L118 HydrophobicContact CG1-CD1 4.44Å; I109-L118 HydrophobicContact CG1-CD2 4.39Å; L113-L118 HydrophobicContact CB-CD2 4.12Å; L113-L118 HydrophobicContact CB-CG 4.21Å; L113-L118 HydrophobicContact CD1-CD2 4.43Å; L113-L118 WeakPolarHBondContact O-CD1 3.42Å; A114-L118 PolarHBondContact O-N 3.06Å; A114-L118 VanDerWaalsContact O-N 3.15Å; K115-L118 PolarHBondContact O-N 3.47Å; L118-L121 PolarHBondContact O-N 2.94Å; L118-T122 PolarHBondContact O-N 3.33Å; L118-T122 PolarHBondContact O-OG1 2.86Å
119	K	95.1	Very high	92.2	Very high	115 Å²	115	65.3 Å²	65.3	50%	0.5	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-45.2	175.6	-170.5	-178.6	178.3	-175.3	0	111.8	K115 P116 L117 T122 E123 Y205	K115-K119 PolarHBondContact O-N 3.3Å; P116-K119 PolarHBondContact O-N 2.92Å; L117-K119 VanDerWaalsContact C-N 3.28Å; L117-K119 PolarHBondContact O-N 3.47Å; K119-T122 PolarHBondContact O-N 3.28Å; K119-E123 PolarHBondContact O-N 3.33Å; K119-E123 VanDerWaalsContact O-N 3.08Å; K119-Y205 HydrophobicContact CB-CD2 3.97Å; K119-Y205 HydrophobicContact CB-CE2 4.22Å; K119-Y205 HydrophobicContact CD-CD1 3.97Å; K119-Y205 HydrophobicContact CD-CD2 3.8Å; K119-Y205 HydrophobicContact CD-CE1 3.91Å; K119-Y205 HydrophobicContact CD-CE2 3.72Å; K119-Y205 HydrophobicContact CD-CG 3.92Å; K119-Y205 VanDerWaalsContact CE-CZ 3.42Å; K119-Y205 HydrophobicContact CG-CD2 3.83Å; K119-Y205 HydrophobicContact CG-CE2 3.62Å; K119-Y205 HydrophobicContact CG-CG 4.44Å
120	S	94.5	Very high	92.1	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.007	32%	0.323	C	S	.	.	H	α-helix	trans	-67	-37.4	177	50.9	0	0	0	0	112.5	P116 L117 T122 E123 M124 K201 L202	P116-S120 PolarHBondContact O-N 3.44Å; P116-S120 VanDerWaalsContact O-N 3.15Å; P116-S120 PolarHBondContact O-OG 3.31Å; L117-S120 WeakPolarHBondContact CA-OG 3.48Å; L117-S120 PolarHBondContact O-N 3.08Å; L117-S120 PolarHBondContact O-OG 3.49Å; S120-T122 PolarHBondContact O-N 3.48Å; S120-E123 PolarHBondContact O-N 2.97Å; S120-M124 WeakPolarHBondContact O-CB 3.43Å; S120-M124 VanDerWaalsContact O-CG 3.25Å; S120-M124 WeakPolarHBondContact O-CG 3.26Å; S120-M124 PolarHBondContact O-N 2.97Å; S120-K201 VanDerWaalsContact CB-O 3.27Å; S120-K201 WeakPolarHBondContact CB-O 3.43Å; S120-L202 PolarHBondContact OG-O 3.19Å
121	L	95	Very high	92	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-41.5	173.8	-72.9	168.5	0	0	0	112.7	F108 L113 L117 L118 M124 S125 L126 L162 L202	F108-L121 HydrophobicContact CB-CD1 3.96Å; F108-L121 HydrophobicContact CD1-CD1 3.79Å; F108-L121 HydrophobicContact CD2-CD1 4.29Å; F108-L121 HydrophobicContact CE1-CD1 4.35Å; F108-L121 HydrophobicContact CG-CD1 3.76Å; L113-L121 HydrophobicContact CD1-CD1 4.26Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.19Å; L117-L121 PolarHBondContact O-N 3.47Å; L118-L121 PolarHBondContact O-N 2.94Å; L121-M124 CarbonylContact O-C 3.6Å; L121-M124 PolarHBondContact O-N 3.13Å; L121-S125 PolarHBondContact O-N 3.4Å; L121-L126 HydrophobicContact CD2-CB 4.29Å; L121-L126 HydrophobicContact CD2-CD1 4.04Å; L121-L126 PolarHBondContact O-N 2.92Å; L121-L162 HydrophobicContact CD1-CD1 4.22Å; L121-L162 HydrophobicContact CD1-CD2 3.99Å; L121-L162 HydrophobicContact CD2-CD1 4.48Å; L121-L162 HydrophobicContact CD2-CD2 4.33Å; L121-L162 HydrophobicContact CG-CD2 4.39Å; L121-L202 HydrophobicContact CD2-CD2 3.85Å; L121-L202 HydrophobicContact CG-CD2 4.14Å
122	T	93.2	Very high	92	Very high	94 Å²	94	58.6 Å²	58.6	58%	0.577	32%	0.317	S	S	*	.	H	α-helix	trans	-63.4	-43.7	176.2	-50.9	0	0	0	0	110.8	L118 K119 S120 M124 S125	L118-T122 PolarHBondContact O-N 3.33Å; L118-T122 PolarHBondContact O-OG1 2.86Å; K119-T122 PolarHBondContact O-N 3.28Å; S120-T122 PolarHBondContact O-N 3.48Å; T122-M124 VanDerWaalsContact C-N 3.29Å; T122-M124 PolarHBondContact O-N 2.89Å; T122-S125 PolarHBondContact O-N 3.42Å
123	E	92.9	Very high	92.2	Very high	100 Å²	100	54.4 Å²	54.4	47%	0.467	29%	0.287	S	S	.	.	H	α-helix	trans	-62.9	-35.7	175.3	-171.6	-177.9	167.8	0	0	112.1	K119 S120 S125 K204 Y205	K119-E123 PolarHBondContact O-N 3.33Å; K119-E123 VanDerWaalsContact O-N 3.08Å; S120-E123 PolarHBondContact O-N 2.97Å; E123-S125 PolarHBondContact O-N 3.45Å; E123-K204 IonicContact OE1-NZ 2.82Å; E123-K204 PolarHBondContact OE1-NZ 3.29Å; E123-K204 IonicContact OE2-NZ 3.59Å; E123-K204 PolarHBondContact OE2-NZ 3.16Å; E123-Y205 WeakPolarHBondContact OE2-CE2 3.37Å; E123-Y205 PolarHBondContact OE2-OH 3.01Å
124	M	91	Very high	92.2	Very high	52 Å²	52	54 Å²	54	26%	0.256	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	1.9	174.6	-68.5	176.9	70.7	0	0	113.7	S120 L121 T122 L126 V198 K201 L202	S120-M124 WeakPolarHBondContact O-CB 3.43Å; S120-M124 VanDerWaalsContact O-CG 3.25Å; S120-M124 WeakPolarHBondContact O-CG 3.26Å; S120-M124 PolarHBondContact O-N 2.97Å; L121-M124 CarbonylContact O-C 3.6Å; L121-M124 PolarHBondContact O-N 3.13Å; T122-M124 VanDerWaalsContact C-N 3.29Å; T122-M124 PolarHBondContact O-N 2.89Å; M124-L126 VanDerWaalsContact C-N 3.3Å; M124-L126 HydrophobicContact CB-CD1 3.91Å; M124-L126 HydrophobicContact CB-CG 4.06Å; M124-L126 HydrophobicContact CE-CD1 4.01Å; M124-L126 PolarHBondContact O-N 2.72Å; M124-V198 HydrophobicContact CE-CG1 4.43Å; M124-K201 HydrophobicContact CE-CB 4.3Å; M124-K201 HydrophobicContact CE-CD 4.11Å; M124-K201 HydrophobicContact CG-CB 4.33Å; M124-K201 HydrophobicContact CG-CD 4.42Å; M124-K201 HydrophobicContact SD-CB 3.71Å; M124-K201 HydrophobicContact SD-CD 4.36Å; M124-L202 HydrophobicContact SD-CD2 4.09Å; M124-L202 HydrophobicContact SD-CG 4.45Å
125	S	89.8	Confident	92.2	Very high	100 Å²	100	53 Å²	53	70%	0.699	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	39.4	-176.3	-50.6	0	0	0	0	112.9	L121 T122 E123	L121-S125 PolarHBondContact O-N 3.4Å; T122-S125 PolarHBondContact O-N 3.42Å; E123-S125 PolarHBondContact O-N 3.45Å
126	L	88.3	Confident	92.3	Very high	57 Å²	57	44.4 Å²	44.4	30%	0.298	24%	0.24	S	C	.	.			trans	-113.9	88.6	-179.1	-66.6	173.6	0	0	0	110.7	F108 L121 M124 L158	F108-L126 VanDerWaalsContact CD2-O 3.29Å; F108-L126 WeakPolarHBondContact CD2-O 3.25Å; F108-L126 HydrophobicContact CE2-CB 4.28Å; L121-L126 HydrophobicContact CD2-CB 4.29Å; L121-L126 HydrophobicContact CD2-CD1 4.04Å; L121-L126 PolarHBondContact O-N 2.92Å; M124-L126 VanDerWaalsContact C-N 3.3Å; M124-L126 HydrophobicContact CB-CD1 3.91Å; M124-L126 HydrophobicContact CB-CG 4.06Å; M124-L126 HydrophobicContact CE-CD1 4.01Å; M124-L126 PolarHBondContact O-N 2.72Å; L126-L158 HydrophobicContact CD1-CD1 3.58Å
127	D	84.3	Confident	92.4	Very high	105 Å²	105	42.1 Å²	42.1	56%	0.561	23%	0.225	S	C	*	.			trans	-89.4	-44.7	-176.7	-56.9	-47.2	0	0	0	112.9	S107 F108	S107-D127 WeakPolarHBondContact CA-O 3.32Å; F108-D127 WeakPolarHBondContact CD2-O 3.27Å; F108-D127 PolarHBondContact N-O 3.49Å
128	K	91.2	Very high	92.3	Very high	130 Å²	130	44.9 Å²	44.9	57%	0.565	24%	0.243	S	C	*	.	S	Bend	trans	-106.8	123.5	-172.5	-174.1	173.8	-177.9	175.7	0	112.3
129	P	93	Very high	92.3	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.019	24%	0.241	C	C	.	.			trans	-71.4	146.5	175.8	25.4	-30.3	0	0	0	112.4	V105 F108 L111 Q133	V105-P129 HydrophobicContact CG2-CG 3.32Å; F108-P129 HydrophobicContact CD1-CB 4.23Å; F108-P129 HydrophobicContact CE1-CB 3.77Å; F108-P129 HydrophobicContact CE2-CB 4.12Å; F108-P129 HydrophobicContact CZ-CB 3.72Å; L111-P129 HydrophobicContact CD1-CB 4.38Å; L111-P129 HydrophobicContact CD1-CG 4.36Å; P129-Q133 VanDerWaalsContact CA-OE1 3.24Å; P129-Q133 HydrophobicContact CB-CB 3.97Å
130	T	89.9	Confident	92.3	Very high	24 Å²	24	39 Å²	39	15%	0.147	22%	0.218	C	C	.	.			trans	-74.3	162.6	175.2	69.8	0	0	0	0	111.4	I132 Q133 C134 S154 I472	T130-I132 VanDerWaalsContact C-N 3.28Å; T130-I132 PolarHBondContact O-N 2.92Å; T130-I132 WeakPolarHBondContact OG1-CG2 3.4Å; T130-Q133 WeakPolarHBondContact O-CB 3.48Å; T130-Q133 PolarHBondContact O-N 2.96Å; T130-Q133 VanDerWaalsContact OG1-CG 3.3Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.46Å; T130-Q133 PolarHBondContact OG1-NE2 3.35Å; T130-Q133 PolarHBondContact OG1-OE1 3.15Å; T130-C134 PolarHBondContact O-N 3Å; T130-C134 PolarHBondContact O-SG 3.44Å; T130-S154 VanDerWaalsContact CB-O 3.25Å; T130-S154 WeakPolarHBondContact CB-O 3.21Å; T130-S154 WeakPolarHBondContact CG2-O 3.32Å; T130-S154 PolarHBondContact OG1-O 2.89Å; T130-I472 HydrophobicContact CG2-CD1 3.99Å
131	P	90.2	Very high	92.3	Very high	53 Å²	53	40.8 Å²	40.8	34%	0.344	23%	0.227	S	C	.	.	H	α-helix	trans	-49.3	-43.6	175.8	-35.6	40.7	0	0	0	115.1	Y102 Q133 C134 A135 L316	Y102-P131 HydrophobicContact CE2-CB 4.11Å; Y102-P131 WeakPolarHBondContact OH-CB 3.27Å; P131-Q133 VanDerWaalsContact C-N 3.32Å; P131-Q133 PolarHBondContact O-N 3.46Å; P131-C134 PolarHBondContact O-N 2.98Å; P131-A135 WeakPolarHBondContact O-CB 3.18Å; P131-A135 PolarHBondContact O-N 3.42Å; P131-L316 HydrophobicContact CB-CD1 4.04Å
132	I	90.5	Very high	92.3	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-69.1	-32.8	179.4	-168.5	62.3	0	0	0	112.1	T130 C136 A148 A150 S154 F292 V314 L316	T130-I132 VanDerWaalsContact C-N 3.28Å; T130-I132 PolarHBondContact O-N 2.92Å; T130-I132 WeakPolarHBondContact OG1-CG2 3.4Å; I132-C136 VanDerWaalsContact O-CB 3.26Å; I132-C136 WeakPolarHBondContact O-CB 3.38Å; I132-C136 PolarHBondContact O-N 3.4Å; I132-C136 PolarHBondContact O-SG 3.23Å; I132-C136 VanDerWaalsContact O-SG 3.36Å; I132-A148 HydrophobicContact CD1-CB 4.31Å; I132-A150 HydrophobicContact CB-CB 4.36Å; I132-A150 HydrophobicContact CD1-CB 3.93Å; I132-A150 HydrophobicContact CG1-CB 3.98Å; I132-S154 WeakPolarHBondContact CG2-O 3.17Å; I132-F292 HydrophobicContact CG1-CE1 4.48Å; I132-V314 HydrophobicContact CD1-CG1 3.68Å; I132-L316 VanDerWaalsContact CA-CD1 3.45Å; I132-L316 HydrophobicContact CB-CD1 3.96Å; I132-L316 HydrophobicContact CD1-CD1 3.77Å; I132-L316 HydrophobicContact CD1-CG 4.26Å; I132-L316 HydrophobicContact CG1-CD1 4.49Å
133	Q	94.3	Very high	92.3	Very high	7 Å²	7	46.5 Å²	46.5	3%	0.033	25%	0.25	C	S	.	.	H	α-helix	trans	-69.8	-43.9	174.7	-67.4	162.4	4.4	0	0	110.5	P129 T130 P131 A135 C136 I137 G155 L158 A159	P129-Q133 VanDerWaalsContact CA-OE1 3.24Å; P129-Q133 HydrophobicContact CB-CB 3.97Å; T130-Q133 WeakPolarHBondContact O-CB 3.48Å; T130-Q133 PolarHBondContact O-N 2.96Å; T130-Q133 VanDerWaalsContact OG1-CG 3.3Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.46Å; T130-Q133 PolarHBondContact OG1-NE2 3.35Å; T130-Q133 PolarHBondContact OG1-OE1 3.15Å; P131-Q133 VanDerWaalsContact C-N 3.32Å; P131-Q133 PolarHBondContact O-N 3.46Å; Q133-A135 VanDerWaalsContact C-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.02Å; Q133-C136 PolarHBondContact O-N 3.3Å; Q133-I137 HydrophobicContact CB-CD1 3.77Å; Q133-I137 HydrophobicContact CB-CG1 4.47Å; Q133-I137 HydrophobicContact CG-CD1 4.4Å; Q133-I137 VanDerWaalsContact O-CB 3.26Å; Q133-I137 WeakPolarHBondContact O-CB 3.38Å; Q133-I137 WeakPolarHBondContact O-CD1 3.28Å; Q133-I137 WeakPolarHBondContact O-CG1 3.29Å; Q133-I137 PolarHBondContact O-N 3.38Å; Q133-G155 WeakPolarHBondContact CG-O 3.39Å; Q133-G155 PolarHBondContact NE2-O 3.46Å; Q133-L158 HydrophobicContact CG-CB 4.46Å; Q133-A159 HydrophobicContact CB-CB 4.49Å; Q133-A159 HydrophobicContact CG-CB 3.89Å
134	C	93.4	Very high	92.4	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.034	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-37.5	175.6	-62.2	0	0	0	0	112.4	Y102 T130 P131 P138	Y102-C134 HydrophobicContact CD2-CB 3.76Å; Y102-C134 HydrophobicContact CE2-CB 4.28Å; T130-C134 PolarHBondContact O-N 3Å; T130-C134 PolarHBondContact O-SG 3.44Å; P131-C134 PolarHBondContact O-N 2.98Å; C134-P138 WeakPolarHBondContact O-CD 3.2Å; C134-P138 WeakPolarHBondContact O-CG 3.42Å
135	A	92.6	Very high	92.6	Very high	3 Å²	3	43 Å²	43	3%	0.025	23%	0.231	C	C	.	.	H	α-helix	trans	-78.4	-43.1	180	0	0	0	0	0	112.9	V99 Y102 P131 Q133 V139 V314 L316	V99-A135 HydrophobicContact CG1-CB 4.48Å; Y102-A135 HydrophobicContact CD1-CB 4.11Å; Y102-A135 HydrophobicContact CG-CB 3.95Å; P131-A135 WeakPolarHBondContact O-CB 3.18Å; P131-A135 PolarHBondContact O-N 3.42Å; Q133-A135 VanDerWaalsContact C-N 3.28Å; Q133-A135 PolarHBondContact O-N 3.02Å; A135-V139 WeakPolarHBondContact O-CG2 3.35Å; A135-V314 HydrophobicContact CB-CG1 3.55Å; A135-L316 HydrophobicContact CB-CD1 4.08Å
136	C	94.9	Very high	92.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-84.8	-40.2	-173.4	-67.5	0	0	0	0	113.8	I132 Q133 V139 A140 I146 A159 F292	I132-C136 VanDerWaalsContact O-CB 3.26Å; I132-C136 WeakPolarHBondContact O-CB 3.38Å; I132-C136 PolarHBondContact O-N 3.4Å; I132-C136 PolarHBondContact O-SG 3.23Å; I132-C136 VanDerWaalsContact O-SG 3.36Å; Q133-C136 PolarHBondContact O-N 3.3Å; C136-V139 PolarHBondContact O-N 3.48Å; C136-A140 WeakPolarHBondContact O-CB 3.27Å; C136-A140 PolarHBondContact O-N 2.93Å; C136-I146 HydrophobicContact CB-CD1 4.28Å; C136-I146 WeakPolarHBondContact O-CD1 3.28Å; C136-A159 HydrophobicContact CB-CB 4.17Å; C136-F292 HydrophobicContact CB-CZ 4.21Å
137	I	96	Very high	93.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-49.9	-170.2	-65.6	168.9	0	0	0	111.6	F108 L111 L113 Q133 V139 A140 L141 L162	F108-I137 HydrophobicContact CE1-CD1 4.34Å; L111-I137 HydrophobicContact CB-CG2 4.47Å; L111-I137 HydrophobicContact CD1-CB 4.35Å; L111-I137 HydrophobicContact CD1-CD1 3.73Å; L111-I137 HydrophobicContact CD1-CG2 4.17Å; L113-I137 HydrophobicContact CD2-CG2 4.45Å; Q133-I137 HydrophobicContact CB-CD1 3.77Å; Q133-I137 HydrophobicContact CB-CG1 4.47Å; Q133-I137 HydrophobicContact CG-CD1 4.4Å; Q133-I137 VanDerWaalsContact O-CB 3.26Å; Q133-I137 WeakPolarHBondContact O-CB 3.38Å; Q133-I137 WeakPolarHBondContact O-CD1 3.28Å; Q133-I137 WeakPolarHBondContact O-CG1 3.29Å; Q133-I137 PolarHBondContact O-N 3.38Å; I137-V139 VanDerWaalsContact C-N 3.32Å; I137-V139 PolarHBondContact O-N 3.38Å; I137-A140 PolarHBondContact O-N 3.25Å; I137-L141 HydrophobicContact CG2-CD1 3.89Å; I137-L141 HydrophobicContact CG2-CG 4.26Å; I137-L141 WeakPolarHBondContact O-CB 3.42Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 2.95Å; I137-L162 HydrophobicContact CD1-CB 4.46Å; I137-L162 HydrophobicContact CD1-CD1 3.84Å
138	P	94.4	Very high	93.6	Very high	58 Å²	58	30.6 Å²	30.6	38%	0.377	16%	0.157	S	C	.	.	H	α-helix	trans	-60.5	-40.7	178.9	-24	35.5	0	0	0	112.8	L111 C134 L141 L142	L111-P138 HydrophobicContact CD2-CG 4.1Å; C134-P138 WeakPolarHBondContact O-CD 3.2Å; C134-P138 WeakPolarHBondContact O-CG 3.42Å; P138-L141 PolarHBondContact O-N 3.32Å; P138-L142 WeakPolarHBondContact O-CG 3.3Å; P138-L142 PolarHBondContact O-N 3.08Å
139	V	93.8	Very high	93.4	Very high	22 Å²	22	24.4 Å²	24.4	13%	0.133	13%	0.13	C	C	.	.	H	α-helix	trans	-67	-41.7	179	178.9	0	0	0	0	111.3	V99 A135 C136 I137 L141 L142 R144 I146 V312	V99-V139 HydrophobicContact CG2-CG2 4.22Å; A135-V139 WeakPolarHBondContact O-CG2 3.35Å; C136-V139 PolarHBondContact O-N 3.48Å; I137-V139 VanDerWaalsContact C-N 3.32Å; I137-V139 PolarHBondContact O-N 3.38Å; V139-L141 VanDerWaalsContact C-N 3.32Å; V139-L141 PolarHBondContact O-N 2.94Å; V139-L142 WeakPolarHBondContact O-CB 3.46Å; V139-L142 PolarHBondContact O-N 2.84Å; V139-R144 HydrophobicContact CG1-CB 4.16Å; V139-I146 HydrophobicContact CB-CD1 3.85Å; V139-I146 HydrophobicContact CG1-CD1 3.75Å; V139-I146 HydrophobicContact CG1-CG1 3.86Å; V139-V312 HydrophobicContact CG1-CB 3.74Å; V139-V312 HydrophobicContact CG1-CG1 3.89Å; V139-V312 HydrophobicContact CG1-CG2 3.67Å; V139-V312 HydrophobicContact CG2-CG1 4.49Å
140	A	95.6	Very high	93	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-67.2	-37.3	178.7	0	0	0	0	0	110.8	C136 I137 L142 H143 I146 P163 Q288 L290	C136-A140 WeakPolarHBondContact O-CB 3.27Å; C136-A140 PolarHBondContact O-N 2.93Å; I137-A140 PolarHBondContact O-N 3.25Å; A140-L142 PolarHBondContact O-N 3.47Å; A140-H143 PolarHBondContact O-N 3.06Å; A140-I146 HydrophobicContact CB-CD1 3.76Å; A140-P163 HydrophobicContact CB-CB 3.52Å; A140-P163 HydrophobicContact CB-CG 3.53Å; A140-Q288 PolarHBondContact O-NE2 2.83Å; A140-L290 HydrophobicContact CB-CD1 4.47Å; A140-L290 HydrophobicContact CB-CD2 4.35Å
141	L	94.9	Very high	92.4	Very high	37 Å²	37	27.5 Å²	27.5	19%	0.194	14%	0.139	C	C	.	.	H	α-helix	trans	-65.2	-20.8	172.6	-70.3	175.8	0	0	0	112.6	L113 I137 P138 V139 H143 P163 E166 R167	L113-L141 HydrophobicContact CD2-CD1 4.27Å; I137-L141 HydrophobicContact CG2-CD1 3.89Å; I137-L141 HydrophobicContact CG2-CG 4.26Å; I137-L141 WeakPolarHBondContact O-CB 3.42Å; I137-L141 VanDerWaalsContact O-CG 3.27Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 2.95Å; P138-L141 PolarHBondContact O-N 3.32Å; V139-L141 VanDerWaalsContact C-N 3.32Å; V139-L141 PolarHBondContact O-N 2.94Å; L141-H143 PolarHBondContact O-N 3.24Å; L141-P163 HydrophobicContact CD2-CB 3.96Å; L141-P163 HydrophobicContact CG-CB 4.17Å; L141-E166 HydrophobicContact CD2-CB 4.06Å; L141-E166 HydrophobicContact CD2-CG 3.73Å; L141-R167 PolarHBondContact O-NH2 3.18Å
142	L	93.5	Very high	91.6	Very high	127 Å²	127	26 Å²	26	67%	0.665	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.9	7.3	170	-64.7	172.2	0	0	0	113.5	P138 V139 A140 R144	P138-L142 WeakPolarHBondContact O-CG 3.3Å; P138-L142 PolarHBondContact O-N 3.08Å; V139-L142 WeakPolarHBondContact O-CB 3.46Å; V139-L142 PolarHBondContact O-N 2.84Å; A140-L142 PolarHBondContact O-N 3.47Å; L142-R144 HydrophobicContact CB-CG 4.43Å; L142-R144 PolarHBondContact O-N 3.31Å
143	H	93.4	Very high	90.7	Very high	90 Å²	90	27.4 Å²	27.4	42%	0.417	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.5	28.3	-179.7	-159.9	61	0	0	0	114.1	A140 L141 Y258 Q288	A140-H143 PolarHBondContact O-N 3.06Å; L141-H143 PolarHBondContact O-N 3.24Å; H143-Y258 AromaticContact CE1-CE1 3.98Å; H143-Y258 AromaticContact ND1-CE1 3.85Å; H143-Q288 PolarHBondContact ND1-OE1 3.17Å
144	R	94.9	Very high	90.1	Very high	70 Å²	70	27.7 Å²	27.7	26%	0.264	15%	0.148	S	C	.	.			trans	-90.8	147	172.7	-63.3	-168.1	69.2	-175.2	4.2	111	H97 V139 L142 Q288 D310 V312	H97-R144 PolarHBondContact CD2-NH2 3.24Å; V139-R144 HydrophobicContact CG1-CB 4.16Å; L142-R144 HydrophobicContact CB-CG 4.43Å; L142-R144 PolarHBondContact O-N 3.31Å; R144-Q288 PolarHBondContact O-NE2 2.99Å; R144-D310 IonicContact CZ-OD2 2.65Å; R144-D310 IonicContact NH2-OD1 3.63Å; R144-D310 IonicContact NH2-OD2 3.94Å; R144-D310 PolarHBondContact NH2-OD2 3.31Å; R144-V312 HydrophobicContact CB-CG2 4.11Å; R144-V312 VanDerWaalsContact NE-CG2 3.3Å
145	D	96.6	Very high	89.8	Confident	8 Å²	8	28.7 Å²	28.7	4%	0.043	16%	0.159	C	C	.	.			trans	-66.5	148.6	169.2	-76.4	12.2	0	0	0	109.9	Q288 T289 L308 R309 P311 V312	D145-Q288 VanDerWaalsContact OD1-CA 3.27Å; D145-Q288 WeakPolarHBondContact OD1-CA 3.37Å; D145-T289 VanDerWaalsContact CA-O 3.27Å; D145-T289 WeakPolarHBondContact CA-O 3.36Å; D145-T289 WeakPolarHBondContact CB-O 3.4Å; D145-T289 PolarHBondContact OD1-N 3.42Å; D145-L308 HydrophobicContact CB-CB 4.32Å; D145-L308 HydrophobicContact CB-CD2 4.39Å; D145-L308 VanDerWaalsContact OD2-CA 3.3Å; D145-L308 WeakPolarHBondContact OD2-CA 3.37Å; D145-R309 WeakPolarHBondContact CB-O 3.24Å; D145-R309 PolarHBondContact OD2-N 3.3Å; D145-P311 HydrophobicContact CB-CB 4.15Å; D145-P311 CarbonylContact O-C 3.56Å; D145-P311 WeakPolarHBondContact O-CA 3.49Å; D145-V312 PolarHBondContact O-N 3.27Å
146	I	95.8	Very high	89.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	133.4	-177.8	-60.8	-177.1	0	0	0	109.6	C136 V139 A140 A148 T289 L290 L291 V312 V314	C136-I146 HydrophobicContact CB-CD1 4.28Å; C136-I146 WeakPolarHBondContact O-CD1 3.28Å; V139-I146 HydrophobicContact CB-CD1 3.85Å; V139-I146 HydrophobicContact CG1-CD1 3.75Å; V139-I146 HydrophobicContact CG1-CG1 3.86Å; A140-I146 HydrophobicContact CB-CD1 3.76Å; I146-A148 HydrophobicContact CG2-CB 3.82Å; I146-T289 PolarHBondContact N-O 3.18Å; I146-L290 HydrophobicContact CB-CD2 3.85Å; I146-L290 HydrophobicContact CD1-CD2 4.06Å; I146-L290 HydrophobicContact CG1-CD2 3.84Å; I146-L291 PolarHBondContact O-N 3.2Å; I146-V312 WeakPolarHBondContact CA-O 3.39Å; I146-V314 HydrophobicContact CG2-CG2 4.05Å
147	C	94.1	Very high	89.7	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	100.1	162.8	-174	0	0	0	0	108.3	L308 P311 V312 Q313 V314	C147-L308 HydrophobicContact CB-CD1 3.86Å; C147-P311 HydrophobicContact CB-CB 4.39Å; C147-V312 PolarHBondContact N-O 3.12Å; C147-Q313 WeakPolarHBondContact O-CA 3.45Å; C147-V314 PolarHBondContact O-N 3.22Å
148	A	92.3	Very high	89.7	Confident	1 Å²	1	31.9 Å²	31.9	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.9	-174.9	0	0	0	0	0	111.2	I132 I146 L291 F292 S293 V314	I132-A148 HydrophobicContact CD1-CB 4.31Å; I146-A148 HydrophobicContact CG2-CB 3.82Å; A148-L291 PolarHBondContact N-O 3.07Å; A148-F292 HydrophobicContact CB-CD1 3.5Å; A148-F292 HydrophobicContact CB-CE1 3.43Å; A148-F292 VanDerWaalsContact CB-CE1 3.43Å; A148-F292 HydrophobicContact CB-CE2 4.47Å; A148-F292 HydrophobicContact CB-CG 4.12Å; A148-F292 HydrophobicContact CB-CZ 3.96Å; A148-F292 WeakPolarHBondContact O-CA 3.47Å; A148-S293 PolarHBondContact O-N 3.45Å; A148-V314 WeakPolarHBondContact CA-O 3.44Å; A148-V314 HydrophobicContact CB-CB 4.27Å
149	C	88.3	Confident	89.7	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.3	174	-83.1	0	0	0	0	111.1	S293 M296 V314 F315 L316 Q318	C149-S293 WeakPolarHBondContact CA-O 3.42Å; C149-M296 HydrophobicContact CB-CG 4.12Å; C149-M296 WeakPolarHBondContact SG-CG 3.31Å; C149-M296 PolarHBondContact SG-SD 2.81Å; C149-V314 PolarHBondContact N-O 3.03Å; C149-F315 HydrophobicContact CB-CD1 3.86Å; C149-F315 HydrophobicContact CB-CE1 4.1Å; C149-L316 PolarHBondContact O-N 3.44Å; C149-L316 VanDerWaalsContact O-N 3.07Å; C149-Q318 HydrophobicContact CB-CG 4.15Å
150	A	83.9	Confident	89.9	Confident	4 Å²	4	28 Å²	28	3%	0.033	15%	0.152	C	C	.	.			trans	-152.6	147.5	178.7	0	0	0	0	0	110.4	I132 S154 K156 S293 A294	I132-A150 HydrophobicContact CB-CB 4.36Å; I132-A150 HydrophobicContact CD1-CB 3.93Å; I132-A150 HydrophobicContact CG1-CB 3.98Å; A150-S154 WeakPolarHBondContact CB-OG 3.42Å; A150-K156 HydrophobicContact CB-CD 4.45Å; A150-K156 PolarHBondContact O-NZ 2.89Å; A150-S293 PolarHBondContact N-O 3.34Å; A150-A294 WeakPolarHBondContact O-CA 3.44Å
151	R	76.8	Confident	90	Very high	87 Å²	87	28 Å²	28	33%	0.328	15%	0.151	S	C	.	.			trans	-47.9	157.8	176.2	65.8	177.1	-178.5	151.9	-2.5	113.7	S154 K156	R151-S154 WeakPolarHBondContact O-CB 3.32Å; R151-S154 PolarHBondContact O-N 2.65Å; R151-S154 PolarHBondContact O-OG 3.44Å; R151-K156 PolarHBondContact O-NZ 3.37Å
152	T	73.8	Confident	90.1	Very high	22 Å²	22	26.2 Å²	26.2	14%	0.135	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	144.6	170.5	50.7	0	0	0	0	110.5	S154 A294	T152-S154 VanDerWaalsContact C-N 3.26Å; T152-S154 PolarHBondContact O-N 2.93Å; T152-A294 HydrophobicContact CG2-CB 4.38Å
153	G	72.2	Confident	90.3	Very high	33 Å²	33	20.3 Å²	20.3	34%	0.34	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	10.6	-177.6	0	0	0	0	0	115.4	G155	G153-G155 PolarHBondContact O-N 2.71Å
154	S	81.1	Confident	90.5	Very high	13 Å²	13	16 Å²	16	9%	0.091	9%	0.091	C	C	.	.	S	Bend	trans	-74	-8.5	173.9	60.1	0	0	0	0	114	T130 I132 A150 R151 T152 K156	T130-S154 VanDerWaalsContact CB-O 3.25Å; T130-S154 WeakPolarHBondContact CB-O 3.21Å; T130-S154 WeakPolarHBondContact CG2-O 3.32Å; T130-S154 PolarHBondContact OG1-O 2.89Å; I132-S154 WeakPolarHBondContact CG2-O 3.17Å; A150-S154 WeakPolarHBondContact CB-OG 3.42Å; R151-S154 WeakPolarHBondContact O-CB 3.32Å; R151-S154 PolarHBondContact O-N 2.65Å; R151-S154 PolarHBondContact O-OG 3.44Å; T152-S154 VanDerWaalsContact C-N 3.26Å; T152-S154 PolarHBondContact O-N 2.93Å; S154-K156 VanDerWaalsContact OG-CG 3.31Å; S154-K156 WeakPolarHBondContact OG-CG 3.07Å
155	G	86.6	Confident	90.6	Very high	26 Å²	26	12.8 Å²	12.8	27%	0.268	8%	0.079	S	C	.	.			trans	90	27.2	-176.6	0	0	0	0	0	114.5	Q133 G153 T157 L158 A159	Q133-G155 WeakPolarHBondContact CG-O 3.39Å; Q133-G155 PolarHBondContact NE2-O 3.46Å; G153-G155 PolarHBondContact O-N 2.71Å; G155-T157 VanDerWaalsContact C-N 3.27Å; G155-T157 PolarHBondContact O-N 3.42Å; G155-L158 PolarHBondContact O-N 3.09Å; G155-A159 PolarHBondContact O-N 3.08Å
156	K	91	Very high	90.5	Very high	13 Å²	13	12.5 Å²	12.5	6%	0.057	8%	0.078	C	C	.	.	H	α-helix	trans	-54.9	-38.6	179.5	-62.7	-168.5	-73.6	-88.3	0	113.5	A150 R151 S154 L158 A159 F160 F292	A150-K156 HydrophobicContact CB-CD 4.45Å; A150-K156 PolarHBondContact O-NZ 2.89Å; R151-K156 PolarHBondContact O-NZ 3.37Å; S154-K156 VanDerWaalsContact OG-CG 3.31Å; S154-K156 WeakPolarHBondContact OG-CG 3.07Å; K156-L158 PolarHBondContact O-N 3.2Å; K156-A159 WeakPolarHBondContact O-CA 3.41Å; K156-A159 VanDerWaalsContact O-CB 3.23Å; K156-A159 WeakPolarHBondContact O-CB 3.37Å; K156-A159 PolarHBondContact O-N 3.18Å; K156-F160 WeakPolarHBondContact O-CD1 3.44Å; K156-F160 PolarHBondContact O-N 3.1Å; K156-F292 HydrophobicContact CB-CD1 3.9Å; K156-F292 HydrophobicContact CB-CE1 4.41Å; K156-F292 HydrophobicContact CD-CB 4.26Å; K156-F292 HydrophobicContact CD-CD1 3.91Å; K156-F292 HydrophobicContact CG-CD1 4.01Å
157	T	94	Very high	90.4	Very high	39 Å²	39	16.7 Å²	16.7	24%	0.239	9%	0.093	C	C	.	.	H	α-helix	trans	-54.6	-49.5	-177.1	-50	0	0	0	0	112.7	G155 A159 F160 L161 I195 V198	G155-T157 VanDerWaalsContact C-N 3.27Å; G155-T157 PolarHBondContact O-N 3.42Å; T157-A159 VanDerWaalsContact C-N 3.31Å; T157-A159 PolarHBondContact O-N 2.73Å; T157-F160 VanDerWaalsContact CA-CE1 3.48Å; T157-F160 HydrophobicContact CG2-CZ 4.11Å; T157-F160 PolarHBondContact O-N 2.95Å; T157-L161 HydrophobicContact CG2-CD1 3.72Å; T157-L161 HydrophobicContact CG2-CG 4.38Å; T157-L161 WeakPolarHBondContact O-CB 3.23Å; T157-L161 VanDerWaalsContact O-CG 3.32Å; T157-L161 WeakPolarHBondContact O-CG 3.48Å; T157-L161 PolarHBondContact O-N 2.99Å; T157-I195 HydrophobicContact CG2-CG1 4.09Å; T157-V198 HydrophobicContact CG2-CB 4.34Å; T157-V198 HydrophobicContact CG2-CG1 4.21Å
158	L	95.9	Very high	90.4	Very high	17 Å²	17	16.9 Å²	16.9	9%	0.089	10%	0.095	C	C	.	.	H	α-helix	trans	-70.2	-29.8	175.8	-63.4	174.6	0	0	0	112.5	L126 Q133 G155 K156 F160 L162 V198 L202	L126-L158 HydrophobicContact CD1-CD1 3.58Å; Q133-L158 HydrophobicContact CG-CB 4.46Å; G155-L158 PolarHBondContact O-N 3.09Å; K156-L158 PolarHBondContact O-N 3.2Å; L158-F160 PolarHBondContact O-N 3.01Å; L158-L162 HydrophobicContact CB-CD1 4.16Å; L158-L162 HydrophobicContact CB-CG 4.47Å; L158-L162 WeakPolarHBondContact O-CB 3.41Å; L158-L162 WeakPolarHBondContact O-CG 3.37Å; L158-L162 PolarHBondContact O-N 3.22Å; L158-L162 VanDerWaalsContact O-N 3.13Å; L158-V198 HydrophobicContact CD2-CG1 3.74Å; L158-L202 HydrophobicContact CD2-CD1 3.82Å; L158-L202 HydrophobicContact CD2-CD2 4.31Å; L158-L202 HydrophobicContact CD2-CG 4.48Å
159	A	95.7	Very high	90.3	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-63.1	-29.7	-180	0	0	0	0	0	112.7	Q133 C136 G155 K156 T157 P163 F292	Q133-A159 HydrophobicContact CB-CB 4.49Å; Q133-A159 HydrophobicContact CG-CB 3.89Å; C136-A159 HydrophobicContact CB-CB 4.17Å; G155-A159 PolarHBondContact O-N 3.08Å; K156-A159 WeakPolarHBondContact O-CA 3.41Å; K156-A159 VanDerWaalsContact O-CB 3.23Å; K156-A159 WeakPolarHBondContact O-CB 3.37Å; K156-A159 PolarHBondContact O-N 3.18Å; T157-A159 VanDerWaalsContact C-N 3.31Å; T157-A159 PolarHBondContact O-N 2.73Å; A159-P163 WeakPolarHBondContact O-CD 3.45Å; A159-P163 WeakPolarHBondContact O-CG 3.38Å; A159-F292 HydrophobicContact CB-CE1 4.03Å; A159-F292 HydrophobicContact CB-CZ 4.18Å
160	F	97.4	Very high	90.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-99.8	-33.4	172.5	63.4	-110.6	0	0	0	114.3	K156 T157 L158 P163 V164 V184 I195 V260 D262 L290 F292	K156-F160 WeakPolarHBondContact O-CD1 3.44Å; K156-F160 PolarHBondContact O-N 3.1Å; T157-F160 VanDerWaalsContact CA-CE1 3.48Å; T157-F160 HydrophobicContact CG2-CZ 4.11Å; T157-F160 PolarHBondContact O-N 2.95Å; L158-F160 PolarHBondContact O-N 3.01Å; F160-P163 WeakPolarHBondContact O-CD 3.48Å; F160-P163 WeakPolarHBondContact O-CG 3.32Å; F160-V164 WeakPolarHBondContact O-CG2 3.25Å; F160-V164 PolarHBondContact O-N 2.76Å; F160-V184 HydrophobicContact CE2-CG1 3.96Å; F160-V184 HydrophobicContact CE2-CG2 4.29Å; F160-V184 HydrophobicContact CZ-CG1 4.32Å; F160-I195 HydrophobicContact CE2-CG2 4.13Å; F160-I195 HydrophobicContact CZ-CD1 4.11Å; F160-I195 HydrophobicContact CZ-CG1 4.26Å; F160-I195 HydrophobicContact CZ-CG2 4.33Å; F160-V260 HydrophobicContact CB-CG1 4Å; F160-V260 HydrophobicContact CB-CG2 4.25Å; F160-V260 HydrophobicContact CD1-CG1 3.96Å; F160-V260 HydrophobicContact CD2-CB 4.42Å; F160-V260 HydrophobicContact CD2-CG1 3.71Å; F160-V260 HydrophobicContact CD2-CG2 4.17Å; F160-V260 HydrophobicContact CE1-CG1 4.29Å; F160-V260 HydrophobicContact CE2-CG1 4.09Å; F160-V260 HydrophobicContact CG-CG1 3.65Å; F160-V260 HydrophobicContact CG-CG2 4.45Å; F160-V260 HydrophobicContact CZ-CG1 4.37Å; F160-D262 HydrophobicContact CE1-CB 4.17Å; F160-D262 HydrophobicContact CZ-CB 4.37Å; F160-L290 HydrophobicContact CB-CD1 4.1Å; F160-F292 HydrophobicContact CB-CD2 4.08Å; F160-F292 HydrophobicContact CB-CE2 3.53Å; F160-F292 HydrophobicContact CB-CZ 4.01Å; F160-F292 AromaticContact CD1-CD2 3.89Å; F160-F292 HydrophobicContact CD1-CD2 3.89Å; F160-F292 HydrophobicContact CD1-CE2 4.09Å; F160-F292 HydrophobicContact CD1-CG 4.16Å; F160-F292 HydrophobicContact CD1-CZ 4.5Å; F160-F292 HydrophobicContact CG-CD2 4.42Å; F160-F292 HydrophobicContact CG-CE2 4.3Å
161	L	98.1	Very high	89.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68	-45.8	-177.8	-77.5	178.8	0	0	0	112.2	T157 V164 L165 V184 I195 V198 A199 L202 L233	T157-L161 HydrophobicContact CG2-CD1 3.72Å; T157-L161 HydrophobicContact CG2-CG 4.38Å; T157-L161 WeakPolarHBondContact O-CB 3.23Å; T157-L161 VanDerWaalsContact O-CG 3.32Å; T157-L161 WeakPolarHBondContact O-CG 3.48Å; T157-L161 PolarHBondContact O-N 2.99Å; L161-V164 PolarHBondContact O-N 3.19Å; L161-L165 WeakPolarHBondContact O-CB 3.28Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 2.87Å; L161-V184 HydrophobicContact CD2-CG2 4.44Å; L161-I195 HydrophobicContact CD1-CG2 4.31Å; L161-I195 HydrophobicContact CD2-CG2 4.24Å; L161-V198 HydrophobicContact CD1-CB 4.16Å; L161-V198 HydrophobicContact CD1-CG1 3.74Å; L161-A199 HydrophobicContact CD1-CB 4.19Å; L161-A199 HydrophobicContact CD2-CB 4.24Å; L161-L202 HydrophobicContact CB-CD1 4.02Å; L161-L202 HydrophobicContact CD1-CD1 4.13Å; L161-L233 HydrophobicContact CD2-CD2 4.38Å
162	L	97.4	Very high	89.5	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57.9	-51.7	-176.4	-69.8	172.5	0	0	0	113.3	F108 L113 L121 I137 L158 V164 L165 E166 L202	F108-L162 HydrophobicContact CD1-CD1 3.93Å; F108-L162 HydrophobicContact CE1-CD1 3.54Å; L113-L162 HydrophobicContact CD1-CB 4.44Å; L113-L162 HydrophobicContact CD1-CD1 4.12Å; L113-L162 HydrophobicContact CD1-CD2 4.3Å; L121-L162 HydrophobicContact CD1-CD1 4.22Å; L121-L162 HydrophobicContact CD1-CD2 3.99Å; L121-L162 HydrophobicContact CD2-CD1 4.48Å; L121-L162 HydrophobicContact CD2-CD2 4.33Å; L121-L162 HydrophobicContact CG-CD2 4.39Å; I137-L162 HydrophobicContact CD1-CB 4.46Å; I137-L162 HydrophobicContact CD1-CD1 3.84Å; L158-L162 HydrophobicContact CB-CD1 4.16Å; L158-L162 HydrophobicContact CB-CG 4.47Å; L158-L162 WeakPolarHBondContact O-CB 3.41Å; L158-L162 WeakPolarHBondContact O-CG 3.37Å; L158-L162 PolarHBondContact O-N 3.22Å; L158-L162 VanDerWaalsContact O-N 3.13Å; L162-V164 VanDerWaalsContact C-N 3.32Å; L162-V164 PolarHBondContact O-N 3.06Å; L162-L165 PolarHBondContact O-N 2.87Å; L162-E166 WeakPolarHBondContact O-CB 3.46Å; L162-E166 PolarHBondContact O-N 2.81Å; L162-L202 HydrophobicContact CD2-CD1 4.22Å; L162-L202 HydrophobicContact CD2-CD2 3.96Å
163	P	96.9	Very high	88.9	Confident	2 Å²	2	32 Å²	32	1%	0.013	19%	0.187	C	C	.	.	H	α-helix	trans	-65.4	-33.9	179.1	24.8	-34.6	0	0	0	113	A140 L141 A159 F160 R167	A140-P163 HydrophobicContact CB-CB 3.52Å; A140-P163 HydrophobicContact CB-CG 3.53Å; L141-P163 HydrophobicContact CD2-CB 3.96Å; L141-P163 HydrophobicContact CG-CB 4.17Å; A159-P163 WeakPolarHBondContact O-CD 3.45Å; A159-P163 WeakPolarHBondContact O-CG 3.38Å; F160-P163 WeakPolarHBondContact O-CD 3.48Å; F160-P163 WeakPolarHBondContact O-CG 3.32Å; P163-R167 WeakPolarHBondContact O-CB 3.45Å; P163-R167 VanDerWaalsContact O-CG 3.25Å; P163-R167 WeakPolarHBondContact O-CG 3.27Å; P163-R167 PolarHBondContact O-N 2.88Å
164	V	97.2	Very high	88.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-51.6	175.7	171.4	0	0	0	0	110.6	F160 L161 L162 E166 R167 L168 A182 Y258 V260 L290	F160-V164 WeakPolarHBondContact O-CG2 3.25Å; F160-V164 PolarHBondContact O-N 2.76Å; L161-V164 PolarHBondContact O-N 3.19Å; L162-V164 VanDerWaalsContact C-N 3.32Å; L162-V164 PolarHBondContact O-N 3.06Å; V164-E166 PolarHBondContact O-N 3.24Å; V164-R167 PolarHBondContact O-N 3.12Å; V164-L168 HydrophobicContact CG1-CD1 4Å; V164-L168 HydrophobicContact CG1-CG 4.43Å; V164-L168 VanDerWaalsContact O-CG 3.32Å; V164-L168 WeakPolarHBondContact O-CG 3.45Å; V164-L168 PolarHBondContact O-N 2.92Å; V164-A182 HydrophobicContact CG1-CB 3.61Å; V164-Y258 HydrophobicContact CG1-CG 4.44Å; V164-Y258 HydrophobicContact CG2-CG 4.49Å; V164-V260 HydrophobicContact CG2-CG2 4.17Å; V164-L290 HydrophobicContact CG2-CD1 4.23Å
165	L	96.9	Very high	88.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-39.6	-180	-67.6	177.5	0	0	0	112.2	L117 L161 L162 R167 L168 A169 L202 V203 L209 L233	L117-L165 HydrophobicContact CD1-CB 4.2Å; L117-L165 HydrophobicContact CD2-CB 4.21Å; L117-L165 HydrophobicContact CD2-CD1 4.35Å; L161-L165 WeakPolarHBondContact O-CB 3.28Å; L161-L165 VanDerWaalsContact O-CG 3.28Å; L161-L165 WeakPolarHBondContact O-CG 3.41Å; L161-L165 PolarHBondContact O-N 2.87Å; L162-L165 PolarHBondContact O-N 2.87Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 2.64Å; L165-L168 HydrophobicContact CD2-CD1 4.39Å; L165-L168 PolarHBondContact O-N 3.49Å; L165-A169 WeakPolarHBondContact O-CB 3.3Å; L165-A169 PolarHBondContact O-N 3.41Å; L165-L202 HydrophobicContact CD1-CB 3.62Å; L165-L202 HydrophobicContact CD1-CD1 3.8Å; L165-L202 HydrophobicContact CD1-CG 4.38Å; L165-V203 HydrophobicContact CD1-CG1 3.94Å; L165-V203 HydrophobicContact CD2-CG1 3.57Å; L165-V203 HydrophobicContact CG-CG1 4.36Å; L165-L209 HydrophobicContact CD2-CD1 4.26Å; L165-L233 HydrophobicContact CD2-CD2 3.96Å
166	E	95.2	Very high	87.5	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-44.5	175.3	178.5	63.7	-168.5	0	0	111.6	L113 A114 L117 L141 L162 V164 K170	L113-E166 HydrophobicContact CD2-CB 4.31Å; L113-E166 HydrophobicContact CD2-CG 4.24Å; A114-E166 WeakPolarHBondContact CB-OE2 3.41Å; A114-E166 PolarHBondContact N-OE1 2.85Å; A114-E166 PolarHBondContact N-OE2 3.13Å; L117-E166 HydrophobicContact CD1-CB 4.15Å; L117-E166 WeakPolarHBondContact CD1-OE2 3.3Å; L141-E166 HydrophobicContact CD2-CB 4.06Å; L141-E166 HydrophobicContact CD2-CG 3.73Å; L162-E166 WeakPolarHBondContact O-CB 3.46Å; L162-E166 PolarHBondContact O-N 2.81Å; V164-E166 PolarHBondContact O-N 3.24Å; E166-K170 HydrophobicContact CG-CD 4.46Å; E166-K170 PolarHBondContact O-N 3.04Å; E166-K170 WeakPolarHBondContact OE1-CD 3.31Å; E166-K170 WeakPolarHBondContact OE1-CE 3.48Å; E166-K170 IonicContact OE1-NZ 3.98Å; E166-K170 PolarHBondContact OE1-NZ 3.31Å
167	R	93.6	Very high	87	Confident	88 Å²	88	50.3 Å²	50.3	33%	0.332	26%	0.264	S	S	.	.	H	α-helix	trans	-70.3	-43.1	178.7	-73.6	-69.8	-170.1	167.9	3.9	112.3	L141 P163 V164 L165 A169 K170 K171 Y258	L141-R167 PolarHBondContact O-NH2 3.18Å; P163-R167 WeakPolarHBondContact O-CB 3.45Å; P163-R167 VanDerWaalsContact O-CG 3.25Å; P163-R167 WeakPolarHBondContact O-CG 3.27Å; P163-R167 PolarHBondContact O-N 2.88Å; V164-R167 PolarHBondContact O-N 3.12Å; L165-R167 VanDerWaalsContact C-N 3.3Å; L165-R167 PolarHBondContact O-N 2.64Å; R167-A169 VanDerWaalsContact C-N 3.27Å; R167-A169 PolarHBondContact O-N 3.09Å; R167-K170 PolarHBondContact O-N 3.05Å; R167-K171 WeakPolarHBondContact O-CB 3.43Å; R167-K171 PolarHBondContact O-N 2.81Å; R167-Y258 HydrophobicContact CB-CE1 3.96Å; R167-Y258 HydrophobicContact CB-CE2 4.17Å; R167-Y258 WeakPolarHBondContact CB-OH 3.46Å; R167-Y258 HydrophobicContact CG-CE1 4.03Å
168	L	93.4	Very high	86.6	Confident	5 Å²	5	50.3 Å²	50.3	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-37.4	175.9	-68.8	174.4	0	0	0	112.1	V164 L165 R181 A182 L209 D232 L233 Y258	V164-L168 HydrophobicContact CG1-CD1 4Å; V164-L168 HydrophobicContact CG1-CG 4.43Å; V164-L168 VanDerWaalsContact O-CG 3.32Å; V164-L168 WeakPolarHBondContact O-CG 3.45Å; V164-L168 PolarHBondContact O-N 2.92Å; L165-L168 HydrophobicContact CD2-CD1 4.39Å; L165-L168 PolarHBondContact O-N 3.49Å; L168-R181 HydrophobicContact CD2-CB 3.62Å; L168-R181 PolarHBondContact O-NH2 3.37Å; L168-R181 VanDerWaalsContact O-NH2 3.08Å; L168-A182 HydrophobicContact CD1-CB 3.85Å; L168-A182 HydrophobicContact CD2-CB 4.31Å; L168-A182 HydrophobicContact CG-CB 4.48Å; L168-L209 HydrophobicContact CB-CD1 4.43Å; L168-L209 HydrophobicContact CB-CD2 3.72Å; L168-D232 HydrophobicContact CD1-CB 4.4Å; L168-L233 HydrophobicContact CD1-CB 4.17Å; L168-Y258 HydrophobicContact CD2-CD2 4.3Å; L168-Y258 HydrophobicContact CD2-CE2 4.34Å
169	A	90.6	Very high	86.4	Confident	46 Å²	46	49.8 Å²	49.8	38%	0.38	27%	0.266	S	S	.	.	H	α-helix	trans	-72.1	-35.8	179.5	0	0	0	0	0	113.3	L165 R167 L209	L165-A169 WeakPolarHBondContact O-CB 3.3Å; L165-A169 PolarHBondContact O-N 3.41Å; R167-A169 VanDerWaalsContact C-N 3.27Å; R167-A169 PolarHBondContact O-N 3.09Å; A169-L209 HydrophobicContact CB-CD1 4.31Å
170	K	86.9	Confident	86.4	Confident	142 Å²	142	50 Å²	50	62%	0.617	27%	0.267	S	S	*	.	H	α-helix	trans	-81	-35.5	-178.6	-79.7	176.7	165.3	161.8	0	113.6	E166 R167 S172	E166-K170 HydrophobicContact CG-CD 4.46Å; E166-K170 PolarHBondContact O-N 3.04Å; E166-K170 WeakPolarHBondContact OE1-CD 3.31Å; E166-K170 WeakPolarHBondContact OE1-CE 3.48Å; E166-K170 IonicContact OE1-NZ 3.98Å; E166-K170 PolarHBondContact OE1-NZ 3.31Å; R167-K170 PolarHBondContact O-N 3.05Å; K170-S172 PolarHBondContact O-N 3.48Å
171	K	77.5	Confident	86.2	Confident	77 Å²	77	50.3 Å²	50.3	34%	0.335	27%	0.268	S	S	.	.			trans	-78.4	108.4	-174.8	-171.5	174	-175.8	-173.6	0	110.6	R167 T173 D174 R181 E257	R167-K171 WeakPolarHBondContact O-CB 3.43Å; R167-K171 PolarHBondContact O-N 2.81Å; K171-T173 PolarHBondContact O-N 3.35Å; K171-D174 IonicContact NZ-OD2 2.82Å; K171-R181 PolarHBondContact O-NH1 3.39Å; K171-E257 WeakPolarHBondContact CD-OE2 3.38Å; K171-E257 IonicContact NZ-OE1 3.86Å; K171-E257 PolarHBondContact NZ-OE1 3.36Å; K171-E257 IonicContact NZ-OE2 3.77Å; K171-E257 PolarHBondContact NZ-OE2 3.38Å; K171-E257 VanDerWaalsContact NZ-OE2 3.12Å
172	S	67.7	Low	86.2	Confident	102 Å²	102	50.3 Å²	50.3	71%	0.713	27%	0.268	S	S	*	.			trans	-57.2	133.4	162.4	-169.7	0	0	0	0	108.2	K170 D174	K170-S172 PolarHBondContact O-N 3.48Å; S172-D174 PolarHBondContact O-N 3.02Å
173	T	62.8	Low	86.3	Confident	65 Å²	65	50.3 Å²	50.3	40%	0.399	27%	0.268	S	S	.	.			trans	-64.6	121.9	178.7	46.3	0	0	0	0	108.9	K171 F175	K171-T173 PolarHBondContact O-N 3.35Å; T173-F175 PolarHBondContact O-N 2.9Å; T173-F175 PolarHBondContact OG1-O 3.37Å
174	D	67.6	Low	86.3	Confident	129 Å²	129	50.3 Å²	50.3	69%	0.69	27%	0.268	S	S	*	.	S	Bend	trans	-65.4	-11.8	166.3	-58.8	-44.2	0	0	0	111.1	K171 S172	K171-D174 IonicContact NZ-OD2 2.82Å; S172-D174 PolarHBondContact O-N 3.02Å
175	F	67.8	Low	86.3	Confident	58 Å²	58	50.2 Å²	50.2	25%	0.254	27%	0.268	S	S	.	.	S	Bend	trans	-94.5	136.2	-178.8	-54.7	-77.9	0	0	0	111.3	T173 H177 V179 H255	T173-F175 PolarHBondContact O-N 2.9Å; T173-F175 PolarHBondContact OG1-O 3.37Å; F175-H177 WeakPolarHBondContact CB-O 3.38Å; F175-H177 PolarHBondContact O-N 3.35Å; F175-V179 HydrophobicContact CB-CG1 4.46Å; F175-V179 HydrophobicContact CB-CG2 4.44Å; F175-V179 HydrophobicContact CD2-CG1 4.47Å; F175-V179 HydrophobicContact CD2-CG2 3.48Å; F175-V179 VanDerWaalsContact CD2-CG2 3.48Å; F175-V179 HydrophobicContact CE2-CG2 3.93Å; F175-V179 HydrophobicContact CG-CG1 4.24Å; F175-V179 HydrophobicContact CG-CG2 4.04Å; F175-H255 AromaticContact CE1-CE1 3.8Å; F175-H255 AromaticContact CE1-ND1 3.69Å; F175-H255 AromaticContact CZ-ND1 3.5Å
176	N	74	Confident	86.2	Confident	175 Å²	175	50.2 Å²	50.2	94%	0.936	27%	0.267	S	S	*	.	S	Bend	trans	-72.1	-2.7	170.1	-70.8	-10.9	0	0	0	113.2
177	H	80.5	Confident	85.9	Confident	107 Å²	107	50.6 Å²	50.6	50%	0.495	27%	0.27	S	S	.	.	S	Bend	trans	-134.2	156.5	-178	59.1	-86.9	0	0	0	111.1	F175 V179	F175-H177 WeakPolarHBondContact CB-O 3.38Å; F175-H177 PolarHBondContact O-N 3.35Å; H177-V179 WeakPolarHBondContact CD2-CG1 3.45Å; H177-V179 WeakPolarHBondContact NE2-CG1 3.38Å; H177-V179 PolarHBondContact O-N 2.89Å
178	A	86	Confident	85.4	Confident	39 Å²	39	47.5 Å²	47.5	32%	0.322	26%	0.261	S	S	.	.			trans	-67.3	130.8	176.2	0	0	0	0	0	110.5	N230	A178-N230 HydrophobicContact CB-CB 4.06Å; A178-N230 WeakPolarHBondContact O-CB 3.45Å; A178-N230 PolarHBondContact O-ND2 3.33Å
179	V	91.8	Very high	85	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.042	26%	0.263	C	S	.	.			trans	-134.4	146	179.6	-67.3	0	0	0	0	110.4	F175 H177 R181 H255	F175-V179 HydrophobicContact CB-CG1 4.46Å; F175-V179 HydrophobicContact CB-CG2 4.44Å; F175-V179 HydrophobicContact CD2-CG1 4.47Å; F175-V179 HydrophobicContact CD2-CG2 3.48Å; F175-V179 VanDerWaalsContact CD2-CG2 3.48Å; F175-V179 HydrophobicContact CE2-CG2 3.93Å; F175-V179 HydrophobicContact CG-CG1 4.24Å; F175-V179 HydrophobicContact CG-CG2 4.04Å; H177-V179 WeakPolarHBondContact CD2-CG1 3.45Å; H177-V179 WeakPolarHBondContact NE2-CG1 3.38Å; H177-V179 PolarHBondContact O-N 2.89Å; V179-R181 HydrophobicContact CG2-CG 3.95Å; V179-R181 PolarHBondContact O-N 3.09Å; V179-H255 HydrophobicContact CB-CB 4.27Å
180	T	94.8	Very high	84.6	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.025	25%	0.248	C	C	.	.			trans	-77.2	118	173.3	-53.9	0	0	0	0	109.5	P231 V234 F251 H255 I256	T180-P231 VanDerWaalsContact CA-O 3.25Å; T180-P231 WeakPolarHBondContact CA-O 3.37Å; T180-P231 WeakPolarHBondContact CB-O 3.31Å; T180-P231 WeakPolarHBondContact CG2-O 3.49Å; T180-P231 PolarHBondContact OG1-O 3.27Å; T180-P231 VanDerWaalsContact OG1-O 3.13Å; T180-V234 HydrophobicContact CG2-CB 4.38Å; T180-V234 HydrophobicContact CG2-CG2 3.73Å; T180-F251 HydrophobicContact CG2-CE2 4.42Å; T180-H255 CarbonylContact O-C 3.53Å; T180-I256 HydrophobicContact CG2-CD1 3.81Å
181	R	94.7	Very high	84.6	Confident	6 Å²	6	40.1 Å²	40.1	2%	0.023	22%	0.22	C	C	.	.			trans	-108.8	-24	-175.3	-65.4	-178.1	-66.8	170.7	3	113.1	L168 K171 V179 D232 E257 Y258	L168-R181 HydrophobicContact CD2-CB 3.62Å; L168-R181 PolarHBondContact O-NH2 3.37Å; L168-R181 VanDerWaalsContact O-NH2 3.08Å; K171-R181 PolarHBondContact O-NH1 3.39Å; V179-R181 HydrophobicContact CG2-CG 3.95Å; V179-R181 PolarHBondContact O-N 3.09Å; R181-D232 IonicContact CZ-OD1 2.62Å; R181-D232 PolarHBondContact N-O 3.26Å; R181-D232 IonicContact NE-OD1 2.68Å; R181-D232 IonicContact NH2-OD1 3.12Å; R181-D232 PolarHBondContact NH2-OD1 3.06Å; R181-E257 PolarHBondContact O-N 3.44Å; R181-Y258 PolarHBondContact O-N 3.35Å
182	A	97.3	Very high	85.3	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	140.5	-179.9	0	0	0	0	0	112.2	V164 L168 D232 L233 V234 Y258	V164-A182 HydrophobicContact CG1-CB 3.61Å; L168-A182 HydrophobicContact CD1-CB 3.85Å; L168-A182 HydrophobicContact CD2-CB 4.31Å; L168-A182 HydrophobicContact CG-CB 4.48Å; A182-D232 PolarHBondContact N-O 3.46Å; A182-L233 HydrophobicContact CB-CB 4.25Å; A182-L233 HydrophobicContact CB-CD1 3.63Å; A182-L233 WeakPolarHBondContact O-CA 3.45Å; A182-V234 PolarHBondContact O-N 3.12Å; A182-Y258 CarbonylContact C-O 3.57Å; A182-Y258 VanDerWaalsContact CA-O 3.31Å; A182-Y258 WeakPolarHBondContact CA-O 3.42Å; A182-Y258 HydrophobicContact CB-CD2 4.42Å
183	L	98.3	Very high	86.3	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.2	177.3	176.8	63.2	0	0	0	109.9	I185 V234 A236 L241 L253 I256 Y258 L259 V260 I279	L183-I185 HydrophobicContact CD1-CG1 4.41Å; L183-I185 HydrophobicContact CD2-CD1 3.99Å; L183-I185 HydrophobicContact CD2-CG1 4.02Å; L183-I185 HydrophobicContact CG-CD1 4.42Å; L183-I185 HydrophobicContact CG-CG1 3.9Å; L183-V234 CarbonylContact C-O 3.53Å; L183-V234 WeakPolarHBondContact CA-O 3.2Å; L183-V234 HydrophobicContact CD1-CB 4.1Å; L183-V234 HydrophobicContact CD1-CG1 4.07Å; L183-A236 HydrophobicContact CD1-CB 4.27Å; L183-L241 HydrophobicContact CD1-CD1 4.44Å; L183-L241 HydrophobicContact CD1-CD2 3.87Å; L183-L241 HydrophobicContact CD2-CD2 3.76Å; L183-L241 HydrophobicContact CG-CD2 4.42Å; L183-L253 HydrophobicContact CD2-CD1 3.89Å; L183-L253 HydrophobicContact CD2-CD2 4.22Å; L183-I256 HydrophobicContact CB-CD1 3.75Å; L183-I256 HydrophobicContact CB-CG1 4.39Å; L183-Y258 PolarHBondContact N-O 3.16Å; L183-L259 HydrophobicContact CB-CD1 4.17Å; L183-L259 HydrophobicContact CD2-CD1 3.91Å; L183-L259 HydrophobicContact CG-CD1 4.07Å; L183-L259 CarbonylContact O-C 3.55Å; L183-L259 WeakPolarHBondContact O-CA 3.43Å; L183-V260 PolarHBondContact O-N 3.4Å; L183-I279 HydrophobicContact CD2-CG2 4.02Å
184	V	98.4	Very high	87.5	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.006	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	120.7	170.3	179.9	0	0	0	0	108.9	F160 L161 I195 L233 V234 V235 A236 V260	F160-V184 HydrophobicContact CE2-CG1 3.96Å; F160-V184 HydrophobicContact CE2-CG2 4.29Å; F160-V184 HydrophobicContact CZ-CG1 4.32Å; L161-V184 HydrophobicContact CD2-CG2 4.44Å; V184-I195 HydrophobicContact CG1-CD1 4.2Å; V184-I195 HydrophobicContact CG1-CG2 4.09Å; V184-L233 HydrophobicContact CG2-CD1 3.85Å; V184-V234 PolarHBondContact N-O 2.9Å; V184-V235 HydrophobicContact CB-CG1 4.39Å; V184-V235 HydrophobicContact CB-CG2 4.3Å; V184-V235 HydrophobicContact CG1-CG1 4.45Å; V184-V235 CarbonylContact O-C 3.58Å; V184-V235 WeakPolarHBondContact O-CA 2.94Å; V184-A236 PolarHBondContact O-N 3.39Å; V184-V260 HydrophobicContact CB-CB 4.26Å; V184-V260 HydrophobicContact CG1-CB 4.13Å; V184-V260 HydrophobicContact CG1-CG1 4.21Å; V184-V260 HydrophobicContact CG2-CB 3.9Å; V184-V260 HydrophobicContact CG2-CG2 3.99Å
185	I	97.1	Very high	88.8	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.7	177.9	-52.3	-176.6	0	0	0	109.3	L183 A236 P238 L259 V260 L261 D262 L267 I276 I279	L183-I185 HydrophobicContact CD1-CG1 4.41Å; L183-I185 HydrophobicContact CD2-CD1 3.99Å; L183-I185 HydrophobicContact CD2-CG1 4.02Å; L183-I185 HydrophobicContact CG-CD1 4.42Å; L183-I185 HydrophobicContact CG-CG1 3.9Å; I185-A236 WeakPolarHBondContact CA-O 3.32Å; I185-P238 HydrophobicContact CG2-CG 3.73Å; I185-L259 HydrophobicContact CD1-CD1 3.95Å; I185-L259 HydrophobicContact CG1-CD1 4.18Å; I185-V260 PolarHBondContact N-O 2.89Å; I185-L261 HydrophobicContact CB-CD2 4.06Å; I185-L261 HydrophobicContact CD1-CD2 3.81Å; I185-L261 HydrophobicContact CG1-CD2 4.2Å; I185-D262 PolarHBondContact O-N 2.95Å; I185-L267 HydrophobicContact CG2-CD1 4.26Å; I185-L267 HydrophobicContact CG2-CD2 4.03Å; I185-I276 HydrophobicContact CD1-CD1 4.32Å; I185-I276 HydrophobicContact CG2-CD1 3.77Å; I185-I279 HydrophobicContact CD1-CB 4.39Å; I185-I279 HydrophobicContact CD1-CD1 4.27Å; I185-I279 HydrophobicContact CD1-CG2 3.61Å
186	S	93.7	Very high	90.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.			trans	-125.5	142.8	176.2	158.6	0	0	0	0	110.7	T188 L191 A192 A236 P238	S186-T188 PolarHBondContact O-N 2.97Å; S186-T188 PolarHBondContact OG-O 2.98Å; S186-T188 VanDerWaalsContact OG-O 3.07Å; S186-L191 VanDerWaalsContact OG-CB 3.26Å; S186-L191 WeakPolarHBondContact OG-CB 3.31Å; S186-L191 VanDerWaalsContact OG-CD2 3.31Å; S186-L191 WeakPolarHBondContact OG-CD2 3.35Å; S186-L191 WeakPolarHBondContact OG-CG 3.35Å; S186-A192 PolarHBondContact OG-N 3.11Å; S186-A236 PolarHBondContact N-O 3.46Å; S186-P238 WeakPolarHBondContact O-CD 3.42Å
187	P	89	Confident	91.1	Very high	10 Å²	10	19.2 Å²	19.2	7%	0.065	10%	0.102	C	C	.	.	S	Bend	trans	-65.8	-34.4	-176.3	24.5	-35.6	0	0	0	113.6	L191 D262 E263 K266 L267	P187-L191 HydrophobicContact CG-CD2 4.36Å; P187-D262 WeakPolarHBondContact CD-O 3.25Å; P187-E263 HydrophobicContact CG-CB 3.75Å; P187-K266 HydrophobicContact CB-CB 4.06Å; P187-K266 HydrophobicContact CG-CB 4.06Å; P187-K266 HydrophobicContact CG-CD 4.39Å; P187-L267 HydrophobicContact CB-CD2 3.78Å; P187-L267 HydrophobicContact CB-CG 4.36Å; P187-L267 HydrophobicContact CG-CD2 4.36Å
188	T	84.5	Confident	91.8	Very high	23 Å²	23	16 Å²	16	14%	0.141	9%	0.089	C	C	.	.	S	Bend	trans	-117.2	150.2	-176.2	65.2	0	0	0	0	111	S186 E190 L191 A192	S186-T188 PolarHBondContact O-N 2.97Å; S186-T188 PolarHBondContact OG-O 2.98Å; S186-T188 VanDerWaalsContact OG-O 3.07Å; T188-E190 VanDerWaalsContact C-N 3.29Å; T188-E190 PolarHBondContact O-N 3.12Å; T188-L191 PolarHBondContact O-N 2.81Å; T188-L191 WeakPolarHBondContact OG1-CB 3.33Å; T188-L191 PolarHBondContact OG1-N 3.43Å; T188-A192 PolarHBondContact O-N 2.86Å
189	R	84.3	Confident	92.4	Very high	21 Å²	21	14.1 Å²	14.1	8%	0.079	7%	0.074	C	C	.	.	H	α-helix	trans	-59	-44.9	175.7	163.2	169.1	169.5	177.3	-1.9	110.7	L191 A192 V193 A215 G216 G217 T237	R189-L191 VanDerWaalsContact C-N 3.29Å; R189-L191 PolarHBondContact O-N 2.79Å; R189-A192 CarbonylContact O-C 3.43Å; R189-A192 WeakPolarHBondContact O-CA 3.37Å; R189-A192 WeakPolarHBondContact O-CB 3.48Å; R189-A192 PolarHBondContact O-N 3.21Å; R189-A192 VanDerWaalsContact O-N 3.08Å; R189-V193 HydrophobicContact CG-CG2 4.05Å; R189-V193 WeakPolarHBondContact O-CG2 3.46Å; R189-V193 PolarHBondContact O-N 2.98Å; R189-A215 HydrophobicContact CB-CB 4.12Å; R189-A215 HydrophobicContact CG-CB 3.81Å; R189-G216 WeakPolarHBondContact CD-O 3.25Å; R189-G216 PolarHBondContact NH1-O 3.28Å; R189-G217 PolarHBondContact NH1-O 3.05Å; R189-T237 HydrophobicContact CB-CG2 4.3Å
190	E	82.1	Confident	92.6	Very high	10 Å²	10	18.8 Å²	18.8	5%	0.047	10%	0.096	C	C	.	.	H	α-helix	trans	-66.6	-37.8	-172.2	-58.5	75.7	-171.4	0	0	110.9	T188 V193 Q194 Q390 R393 L442	T188-E190 VanDerWaalsContact C-N 3.29Å; T188-E190 PolarHBondContact O-N 3.12Å; E190-V193 PolarHBondContact O-N 2.91Å; E190-Q194 VanDerWaalsContact O-CG 3.29Å; E190-Q194 WeakPolarHBondContact O-CG 3.31Å; E190-Q194 PolarHBondContact O-N 3.49Å; E190-Q390 PolarHBondContact OE1-OE1 3.12Å; E190-R393 WeakPolarHBondContact OE1-CD 3.47Å; E190-R393 IonicContact OE1-CZ 3.44Å; E190-R393 IonicContact OE1-NE 3.52Å; E190-R393 IonicContact OE1-NH1 3.42Å; E190-R393 PolarHBondContact OE1-NH1 2.82Å; E190-R393 IonicContact OE2-NH1 3.97Å; E190-L442 HydrophobicContact CB-CD2 3.23Å; E190-L442 HydrophobicContact CB-CG 4.39Å; E190-L442 HydrophobicContact CG-CD2 4.01Å
191	L	86.1	Confident	92.7	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-66.8	-39.4	171.4	177.1	61	0	0	0	111.4	S186 P187 T188 R189 V193 Q194 I195 E263	S186-L191 VanDerWaalsContact OG-CB 3.26Å; S186-L191 WeakPolarHBondContact OG-CB 3.31Å; S186-L191 VanDerWaalsContact OG-CD2 3.31Å; S186-L191 WeakPolarHBondContact OG-CD2 3.35Å; S186-L191 WeakPolarHBondContact OG-CG 3.35Å; P187-L191 HydrophobicContact CG-CD2 4.36Å; T188-L191 PolarHBondContact O-N 2.81Å; T188-L191 WeakPolarHBondContact OG1-CB 3.33Å; T188-L191 PolarHBondContact OG1-N 3.43Å; R189-L191 VanDerWaalsContact C-N 3.29Å; R189-L191 PolarHBondContact O-N 2.79Å; L191-V193 VanDerWaalsContact C-N 3.35Å; L191-V193 PolarHBondContact O-N 2.6Å; L191-Q194 PolarHBondContact O-N 3.04Å; L191-I195 HydrophobicContact CD1-CD1 4.08Å; L191-I195 HydrophobicContact CD1-CG1 4.17Å; L191-I195 HydrophobicContact CG-CD1 3.91Å; L191-I195 HydrophobicContact CG-CG1 4.46Å; L191-I195 VanDerWaalsContact O-CG1 3.25Å; L191-I195 WeakPolarHBondContact O-CG1 3.46Å; L191-I195 PolarHBondContact O-N 3.09Å; L191-E263 HydrophobicContact CD2-CB 4.31Å; L191-E263 HydrophobicContact CD2-CG 3.56Å
192	A	92.2	Very high	92.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.1	-42.5	174.1	0	0	0	0	0	111.9	S186 T188 R189 I195 F196 L213 V235 T237	S186-A192 PolarHBondContact OG-N 3.11Å; T188-A192 PolarHBondContact O-N 2.86Å; R189-A192 CarbonylContact O-C 3.43Å; R189-A192 WeakPolarHBondContact O-CA 3.37Å; R189-A192 WeakPolarHBondContact O-CB 3.48Å; R189-A192 PolarHBondContact O-N 3.21Å; R189-A192 VanDerWaalsContact O-N 3.08Å; A192-I195 PolarHBondContact O-N 3.25Å; A192-F196 VanDerWaalsContact O-CB 3.29Å; A192-F196 WeakPolarHBondContact O-CB 3.43Å; A192-F196 PolarHBondContact O-N 3.36Å; A192-L213 HydrophobicContact CB-CD1 3.85Å; A192-V235 HydrophobicContact CB-CG1 4.07Å; A192-V235 WeakPolarHBondContact O-CG1 3.38Å; A192-T237 HydrophobicContact CB-CG2 4.16Å
193	V	90	Very high	92.7	Very high	19 Å²	19	24.8 Å²	24.8	12%	0.115	12%	0.123	C	C	.	.	H	α-helix	trans	-61.8	-44.6	173.8	172.5	0	0	0	0	110.6	R189 E190 L191 F196 N197 L213	R189-V193 HydrophobicContact CG-CG2 4.05Å; R189-V193 WeakPolarHBondContact O-CG2 3.46Å; R189-V193 PolarHBondContact O-N 2.98Å; E190-V193 PolarHBondContact O-N 2.91Å; L191-V193 VanDerWaalsContact C-N 3.35Å; L191-V193 PolarHBondContact O-N 2.6Å; V193-F196 PolarHBondContact O-N 2.96Å; V193-N197 WeakPolarHBondContact O-CB 3.31Å; V193-N197 PolarHBondContact O-N 3.25Å; V193-N197 PolarHBondContact O-OD1 3.29Å; V193-L213 HydrophobicContact CB-CD2 4.44Å; V193-L213 HydrophobicContact CG2-CD2 3.64Å
194	Q	87.6	Confident	92.5	Very high	45 Å²	45	30.3 Å²	30.3	21%	0.21	15%	0.146	C	C	.	.	H	α-helix	trans	-61.4	-45.8	177.6	-75.4	-179.2	-16.9	0	0	112	E190 L191 F196 N197 V198 D443	E190-Q194 VanDerWaalsContact O-CG 3.29Å; E190-Q194 WeakPolarHBondContact O-CG 3.31Å; E190-Q194 PolarHBondContact O-N 3.49Å; L191-Q194 PolarHBondContact O-N 3.04Å; Q194-F196 VanDerWaalsContact C-N 3.34Å; Q194-N197 PolarHBondContact O-N 3.48Å; Q194-V198 WeakPolarHBondContact O-CG2 3.35Å; Q194-V198 PolarHBondContact O-N 3.4Å; Q194-V198 VanDerWaalsContact O-N 3.08Å; Q194-D443 VanDerWaalsContact NE2-N 3.16Å; Q194-D443 PolarHBondContact NE2-O 3.45Å
195	I	95.1	Very high	92.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-45	175.9	-66.7	164.5	0	0	0	110.3	T157 F160 L161 V184 L191 A192 V198 A199 V235	T157-I195 HydrophobicContact CG2-CG1 4.09Å; F160-I195 HydrophobicContact CE2-CG2 4.13Å; F160-I195 HydrophobicContact CZ-CD1 4.11Å; F160-I195 HydrophobicContact CZ-CG1 4.26Å; F160-I195 HydrophobicContact CZ-CG2 4.33Å; L161-I195 HydrophobicContact CD1-CG2 4.31Å; L161-I195 HydrophobicContact CD2-CG2 4.24Å; V184-I195 HydrophobicContact CG1-CD1 4.2Å; V184-I195 HydrophobicContact CG1-CG2 4.09Å; L191-I195 HydrophobicContact CD1-CD1 4.08Å; L191-I195 HydrophobicContact CD1-CG1 4.17Å; L191-I195 HydrophobicContact CG-CD1 3.91Å; L191-I195 HydrophobicContact CG-CG1 4.46Å; L191-I195 VanDerWaalsContact O-CG1 3.25Å; L191-I195 WeakPolarHBondContact O-CG1 3.46Å; L191-I195 PolarHBondContact O-N 3.09Å; A192-I195 PolarHBondContact O-N 3.25Å; I195-V198 PolarHBondContact O-N 3.4Å; I195-A199 WeakPolarHBondContact O-CB 3.32Å; I195-A199 PolarHBondContact O-N 3.19Å; I195-V235 HydrophobicContact CB-CG1 4Å; I195-V235 HydrophobicContact CG2-CG1 3.84Å; I195-V235 HydrophobicContact CG2-CG2 4.05Å
196	F	96.5	Very high	92.2	Very high	31 Å²	31	34.3 Å²	34.3	14%	0.136	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-46.8	178.4	179.3	-95.5	0	0	0	111.9	A192 V193 Q194 V198 A199 E200 I211 L213 V235	A192-F196 VanDerWaalsContact O-CB 3.29Å; A192-F196 WeakPolarHBondContact O-CB 3.43Å; A192-F196 PolarHBondContact O-N 3.36Å; V193-F196 PolarHBondContact O-N 2.96Å; Q194-F196 VanDerWaalsContact C-N 3.34Å; F196-V198 VanDerWaalsContact C-N 3.28Å; F196-V198 PolarHBondContact O-N 3.05Å; F196-A199 CarbonylContact O-C 3.6Å; F196-A199 WeakPolarHBondContact O-CB 3.33Å; F196-A199 PolarHBondContact O-N 3.14Å; F196-A199 VanDerWaalsContact O-N 3.09Å; F196-E200 WeakPolarHBondContact O-CB 3.11Å; F196-E200 PolarHBondContact O-N 3.35Å; F196-I211 HydrophobicContact CD2-CD1 4.1Å; F196-I211 HydrophobicContact CD2-CG1 4.42Å; F196-I211 HydrophobicContact CE2-CB 4.22Å; F196-I211 HydrophobicContact CE2-CD1 3.69Å; F196-I211 HydrophobicContact CE2-CG1 3.65Å; F196-I211 HydrophobicContact CZ-CD1 4.07Å; F196-I211 HydrophobicContact CZ-CG1 4.09Å; F196-L213 HydrophobicContact CB-CB 4.37Å; F196-L213 HydrophobicContact CB-CD1 4.18Å; F196-L213 HydrophobicContact CD1-CB 4.31Å; F196-L213 HydrophobicContact CD2-CB 3.76Å; F196-L213 HydrophobicContact CE2-CB 4.1Å; F196-L213 HydrophobicContact CG-CB 3.87Å; F196-V235 HydrophobicContact CB-CB 4.4Å; F196-V235 HydrophobicContact CB-CG2 4.45Å; F196-V235 HydrophobicContact CD2-CG2 4.5Å
197	N	94.1	Very high	91.9	Very high	71 Å²	71	40.3 Å²	40.3	38%	0.38	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-35.4	177.9	-66.7	-6.1	0	0	0	112.2	V193 Q194 K201	V193-N197 WeakPolarHBondContact O-CB 3.31Å; V193-N197 PolarHBondContact O-N 3.25Å; V193-N197 PolarHBondContact O-OD1 3.29Å; Q194-N197 PolarHBondContact O-N 3.48Å; N197-K201 WeakPolarHBondContact O-CG 3.5Å; N197-K201 PolarHBondContact O-N 2.8Å
198	V	95.1	Very high	91.9	Very high	38 Å²	38	48.7 Å²	48.7	23%	0.23	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-44.5	173.1	173.6	0	0	0	0	110.3	M124 T157 L158 L161 Q194 I195 F196 E200 K201 L202	M124-V198 HydrophobicContact CE-CG1 4.43Å; T157-V198 HydrophobicContact CG2-CB 4.34Å; T157-V198 HydrophobicContact CG2-CG1 4.21Å; L158-V198 HydrophobicContact CD2-CG1 3.74Å; L161-V198 HydrophobicContact CD1-CB 4.16Å; L161-V198 HydrophobicContact CD1-CG1 3.74Å; Q194-V198 WeakPolarHBondContact O-CG2 3.35Å; Q194-V198 PolarHBondContact O-N 3.4Å; Q194-V198 VanDerWaalsContact O-N 3.08Å; I195-V198 PolarHBondContact O-N 3.4Å; F196-V198 VanDerWaalsContact C-N 3.28Å; F196-V198 PolarHBondContact O-N 3.05Å; V198-E200 VanDerWaalsContact C-N 3.34Å; V198-E200 PolarHBondContact O-N 3.33Å; V198-K201 PolarHBondContact O-N 2.86Å; V198-L202 HydrophobicContact CG1-CD1 4.09Å; V198-L202 HydrophobicContact CG1-CG 4.49Å; V198-L202 WeakPolarHBondContact O-CG 2.96Å; V198-L202 PolarHBondContact O-N 3.39Å
199	A	97.3	Very high	92.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.4	-42.9	177.2	0	0	0	0	0	111.8	L161 I195 F196 K201 L202 V203 I211 L233	L161-A199 HydrophobicContact CD1-CB 4.19Å; L161-A199 HydrophobicContact CD2-CB 4.24Å; I195-A199 WeakPolarHBondContact O-CB 3.32Å; I195-A199 PolarHBondContact O-N 3.19Å; F196-A199 CarbonylContact O-C 3.6Å; F196-A199 WeakPolarHBondContact O-CB 3.33Å; F196-A199 PolarHBondContact O-N 3.14Å; F196-A199 VanDerWaalsContact O-N 3.09Å; A199-K201 PolarHBondContact O-N 2.75Å; A199-L202 WeakPolarHBondContact O-CB 3.47Å; A199-L202 PolarHBondContact O-N 3Å; A199-L202 VanDerWaalsContact O-N 3.11Å; A199-V203 WeakPolarHBondContact O-CG1 3.38Å; A199-V203 WeakPolarHBondContact O-CG2 3.28Å; A199-V203 PolarHBondContact O-N 2.73Å; A199-I211 HydrophobicContact CB-CD1 4.03Å; A199-L233 HydrophobicContact CB-CD2 4.25Å
200	E	96.4	Very high	92.8	Very high	106 Å²	106	54.3 Å²	54.3	50%	0.495	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-47	177.5	-169.8	179	-153.7	0	0	111.8	F196 V198 L202 V203 K204 I211	F196-E200 WeakPolarHBondContact O-CB 3.11Å; F196-E200 PolarHBondContact O-N 3.35Å; V198-E200 VanDerWaalsContact C-N 3.34Å; V198-E200 PolarHBondContact O-N 3.33Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 2.93Å; E200-V203 PolarHBondContact O-N 3.09Å; E200-K204 PolarHBondContact O-N 3.24Å; E200-K204 VanDerWaalsContact O-N 3.12Å; E200-I211 VanDerWaalsContact CA-CD1 3.46Å; E200-I211 HydrophobicContact CB-CD1 3.85Å; E200-I211 HydrophobicContact CG-CD1 4.48Å
201	K	95.9	Very high	93.5	Very high	122 Å²	122	55 Å²	55	53%	0.53	26%	0.262	S	S	.	.	H	α-helix	trans	-61.9	-40.3	174.9	-69.5	178.4	-177.8	-170.8	0	112.1	S120 M124 N197 V198 A199 K204	S120-K201 VanDerWaalsContact CB-O 3.27Å; S120-K201 WeakPolarHBondContact CB-O 3.43Å; M124-K201 HydrophobicContact CE-CB 4.3Å; M124-K201 HydrophobicContact CE-CD 4.11Å; M124-K201 HydrophobicContact CG-CB 4.33Å; M124-K201 HydrophobicContact CG-CD 4.42Å; M124-K201 HydrophobicContact SD-CB 3.71Å; M124-K201 HydrophobicContact SD-CD 4.36Å; N197-K201 WeakPolarHBondContact O-CG 3.5Å; N197-K201 PolarHBondContact O-N 2.8Å; V198-K201 PolarHBondContact O-N 2.86Å; A199-K201 PolarHBondContact O-N 2.75Å; K201-K204 WeakPolarHBondContact O-CB 3.3Å
202	L	96.4	Very high	94	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-67	-41.3	179.4	-70.4	172.7	0	0	0	112.3	L117 S120 L121 M124 L158 L161 L162 L165 V198 A199 E200 K204	L117-L202 HydrophobicContact CD2-CB 4.41Å; S120-L202 PolarHBondContact OG-O 3.19Å; L121-L202 HydrophobicContact CD2-CD2 3.85Å; L121-L202 HydrophobicContact CG-CD2 4.14Å; M124-L202 HydrophobicContact SD-CD2 4.09Å; M124-L202 HydrophobicContact SD-CG 4.45Å; L158-L202 HydrophobicContact CD2-CD1 3.82Å; L158-L202 HydrophobicContact CD2-CD2 4.31Å; L158-L202 HydrophobicContact CD2-CG 4.48Å; L161-L202 HydrophobicContact CB-CD1 4.02Å; L161-L202 HydrophobicContact CD1-CD1 4.13Å; L162-L202 HydrophobicContact CD2-CD1 4.22Å; L162-L202 HydrophobicContact CD2-CD2 3.96Å; L165-L202 HydrophobicContact CD1-CB 3.62Å; L165-L202 HydrophobicContact CD1-CD1 3.8Å; L165-L202 HydrophobicContact CD1-CG 4.38Å; V198-L202 HydrophobicContact CG1-CD1 4.09Å; V198-L202 HydrophobicContact CG1-CG 4.49Å; V198-L202 WeakPolarHBondContact O-CG 2.96Å; V198-L202 PolarHBondContact O-N 3.39Å; A199-L202 WeakPolarHBondContact O-CB 3.47Å; A199-L202 PolarHBondContact O-N 3Å; A199-L202 VanDerWaalsContact O-N 3.11Å; E200-L202 VanDerWaalsContact C-N 3.32Å; E200-L202 PolarHBondContact O-N 2.93Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 3.2Å
203	V	95.8	Very high	94.2	Very high	15 Å²	15	57.1 Å²	57.1	9%	0.091	27%	0.272	C	S	.	.	H	α-helix	trans	-84.4	0	-178.5	-56.5	0	0	0	0	114	L165 A199 E200 Y205 C206 L209 I211	L165-V203 HydrophobicContact CD1-CG1 3.94Å; L165-V203 HydrophobicContact CD2-CG1 3.57Å; L165-V203 HydrophobicContact CG-CG1 4.36Å; A199-V203 WeakPolarHBondContact O-CG1 3.38Å; A199-V203 WeakPolarHBondContact O-CG2 3.28Å; A199-V203 PolarHBondContact O-N 2.73Å; E200-V203 PolarHBondContact O-N 3.09Å; V203-Y205 PolarHBondContact O-N 2.83Å; V203-C206 HydrophobicContact CB-CB 4.25Å; V203-C206 CarbonylContact O-C 3.53Å; V203-C206 WeakPolarHBondContact O-CA 3.49Å; V203-C206 WeakPolarHBondContact O-CB 3.29Å; V203-C206 PolarHBondContact O-N 2.83Å; V203-L209 HydrophobicContact CB-CB 4.5Å; V203-L209 HydrophobicContact CG1-CB 4.33Å; V203-L209 HydrophobicContact CG1-CD1 4.07Å; V203-I211 HydrophobicContact CG1-CG2 4.18Å; V203-I211 HydrophobicContact CG2-CD1 3.97Å; V203-I211 HydrophobicContact CG2-CG1 4.33Å; V203-I211 HydrophobicContact CG2-CG2 4.17Å
204	K	95.2	Very high	94.5	Very high	115 Å²	115	56.2 Å²	56.2	50%	0.5	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-36.8	178.3	-176.9	-179.2	177.3	-170.6	0	113.8	E123 E200 K201 L202	E123-K204 IonicContact OE1-NZ 2.82Å; E123-K204 PolarHBondContact OE1-NZ 3.29Å; E123-K204 IonicContact OE2-NZ 3.59Å; E123-K204 PolarHBondContact OE2-NZ 3.16Å; E200-K204 PolarHBondContact O-N 3.24Å; E200-K204 VanDerWaalsContact O-N 3.12Å; K201-K204 WeakPolarHBondContact O-CB 3.3Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 3.2Å
205	Y	94.8	Very high	94.7	Very high	73 Å²	73	54 Å²	54	29%	0.286	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	11.4	178.4	-61.8	-64.8	0	0	0	113.9	P116 K119 E123 V203 P207	P116-Y205 WeakPolarHBondContact CB-O 3.32Å; K119-Y205 HydrophobicContact CB-CD2 3.97Å; K119-Y205 HydrophobicContact CB-CE2 4.22Å; K119-Y205 HydrophobicContact CD-CD1 3.97Å; K119-Y205 HydrophobicContact CD-CD2 3.8Å; K119-Y205 HydrophobicContact CD-CE1 3.91Å; K119-Y205 HydrophobicContact CD-CE2 3.72Å; K119-Y205 HydrophobicContact CD-CG 3.92Å; K119-Y205 VanDerWaalsContact CE-CZ 3.42Å; K119-Y205 HydrophobicContact CG-CD2 3.83Å; K119-Y205 HydrophobicContact CG-CE2 3.62Å; K119-Y205 HydrophobicContact CG-CG 4.44Å; E123-Y205 WeakPolarHBondContact OE2-CE2 3.37Å; E123-Y205 PolarHBondContact OE2-OH 3.01Å; V203-Y205 PolarHBondContact O-N 2.83Å; Y205-P207 VanDerWaalsContact O-CD 3.31Å; Y205-P207 WeakPolarHBondContact O-CD 3.48Å
206	C	93.2	Very high	94.3	Very high	13 Å²	13	55.3 Å²	55.3	9%	0.088	27%	0.269	C	S	.	.			trans	-117	72	-179.6	-61.9	0	0	0	0	110.6	V203 K208 L209	V203-C206 HydrophobicContact CB-CB 4.25Å; V203-C206 CarbonylContact O-C 3.53Å; V203-C206 WeakPolarHBondContact O-CA 3.49Å; V203-C206 WeakPolarHBondContact O-CB 3.29Å; V203-C206 PolarHBondContact O-N 2.83Å; C206-K208 PolarHBondContact O-N 3.13Å; C206-L209 HydrophobicContact CB-CB 4.32Å; C206-L209 HydrophobicContact CB-CD1 3.87Å; C206-L209 HydrophobicContact CB-CG 4.08Å; C206-L209 PolarHBondContact O-N 3.01Å
207	P	88.3	Confident	93.4	Very high	126 Å²	126	56.3 Å²	56.3	82%	0.818	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-15.1	-171.9	26.9	-36.6	0	0	0	114.6	Y205	Y205-P207 VanDerWaalsContact O-CD 3.31Å; Y205-P207 WeakPolarHBondContact O-CD 3.48Å
208	K	88.6	Confident	92.9	Very high	186 Å²	186	55.8 Å²	55.8	81%	0.809	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-22.6	175.7	-64.7	-174.4	179.5	-176.9	0	113.1	C206	C206-K208 PolarHBondContact O-N 3.13Å
209	L	93.6	Very high	92.5	Very high	18 Å²	18	58.7 Å²	58.7	9%	0.094	30%	0.3	C	S	.	.			trans	-91.7	123.2	-174	-63.8	-177	0	0	0	110.5	L165 L168 A169 V203 C206 D232	L165-L209 HydrophobicContact CD2-CD1 4.26Å; L168-L209 HydrophobicContact CB-CD1 4.43Å; L168-L209 HydrophobicContact CB-CD2 3.72Å; A169-L209 HydrophobicContact CB-CD1 4.31Å; V203-L209 HydrophobicContact CB-CB 4.5Å; V203-L209 HydrophobicContact CG1-CB 4.33Å; V203-L209 HydrophobicContact CG1-CD1 4.07Å; C206-L209 HydrophobicContact CB-CB 4.32Å; C206-L209 HydrophobicContact CB-CD1 3.87Å; C206-L209 HydrophobicContact CB-CG 4.08Å; C206-L209 PolarHBondContact O-N 3.01Å; L209-D232 WeakPolarHBondContact CA-OD2 3.49Å; L209-D232 HydrophobicContact CD2-CB 4.37Å
210	R	94.6	Very high	92	Very high	143 Å²	143	60.4 Å²	60.4	54%	0.54	31%	0.309	S	S	.	.			trans	-103	132.4	172.6	-61.1	179.8	-164.3	141.1	4	109.5	P231 D232 L233	R210-P231 HydrophobicContact CB-CB 4.16Å; R210-P231 CarbonylContact O-C 3.52Å; R210-D232 PolarHBondContact N-OD2 3.44Å; R210-D232 WeakPolarHBondContact O-CB 3.41Å; R210-D232 PolarHBondContact O-N 3.02Å; R210-L233 PolarHBondContact O-N 3.14Å
211	I	96.9	Very high	91.7	Very high	26 Å²	26	61.9 Å²	61.9	13%	0.133	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.8	178.7	67.8	167.3	0	0	0	109.9	F196 A199 E200 V203 L233	F196-I211 HydrophobicContact CD2-CD1 4.1Å; F196-I211 HydrophobicContact CD2-CG1 4.42Å; F196-I211 HydrophobicContact CE2-CB 4.22Å; F196-I211 HydrophobicContact CE2-CD1 3.69Å; F196-I211 HydrophobicContact CE2-CG1 3.65Å; F196-I211 HydrophobicContact CZ-CD1 4.07Å; F196-I211 HydrophobicContact CZ-CG1 4.09Å; A199-I211 HydrophobicContact CB-CD1 4.03Å; E200-I211 VanDerWaalsContact CA-CD1 3.46Å; E200-I211 HydrophobicContact CB-CD1 3.85Å; E200-I211 HydrophobicContact CG-CD1 4.48Å; V203-I211 HydrophobicContact CG1-CG2 4.18Å; V203-I211 HydrophobicContact CG2-CD1 3.97Å; V203-I211 HydrophobicContact CG2-CG1 4.33Å; V203-I211 HydrophobicContact CG2-CG2 4.17Å; I211-L233 CarbonylContact C-O 3.57Å; I211-L233 VanDerWaalsContact CA-O 3.28Å; I211-L233 WeakPolarHBondContact CA-O 3.33Å; I211-L233 HydrophobicContact CG2-CB 4.04Å; I211-L233 HydrophobicContact CG2-CD2 4.12Å; I211-L233 HydrophobicContact CG2-CG 4.44Å
212	Q	96.6	Very high	91.5	Very high	36 Å²	36	59.1 Å²	59.1	17%	0.168	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	142.9	177.9	-174.7	54.9	45.8	0	0	112.3	S226 L227 P231 L233 V234 V235	Q212-S226 VanDerWaalsContact CD-CB 3.4Å; Q212-L227 HydrophobicContact CB-CD2 4.37Å; Q212-L227 HydrophobicContact CG-CD2 3.89Å; Q212-L227 HydrophobicContact CG-CG 4.22Å; Q212-P231 HydrophobicContact CB-CB 3.89Å; Q212-P231 HydrophobicContact CB-CG 3.55Å; Q212-P231 HydrophobicContact CG-CG 4.43Å; Q212-L233 PolarHBondContact N-O 3.4Å; Q212-V234 WeakPolarHBondContact O-CA 3.08Å; Q212-V235 PolarHBondContact O-N 2.67Å
213	L	97	Very high	91.3	Very high	15 Å²	15	59.4 Å²	59.4	8%	0.079	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.2	171.3	179.3	64.1	0	0	0	110.5	A192 V193 F196 A215 L218 V235	A192-L213 HydrophobicContact CB-CD1 3.85Å; V193-L213 HydrophobicContact CB-CD2 4.44Å; V193-L213 HydrophobicContact CG2-CD2 3.64Å; F196-L213 HydrophobicContact CB-CB 4.37Å; F196-L213 HydrophobicContact CB-CD1 4.18Å; F196-L213 HydrophobicContact CD1-CB 4.31Å; F196-L213 HydrophobicContact CD2-CB 3.76Å; F196-L213 HydrophobicContact CE2-CB 4.1Å; F196-L213 HydrophobicContact CG-CB 3.87Å; L213-A215 HydrophobicContact CD1-CB 4.09Å; L213-A215 HydrophobicContact CG-CB 4.23Å; L213-L218 HydrophobicContact CD2-CD1 3.56Å; L213-L218 HydrophobicContact CG-CD1 4.03Å; L213-V235 CarbonylContact C-O 3.6Å; L213-V235 WeakPolarHBondContact CA-O 3.24Å; L213-V235 HydrophobicContact CD1-CB 4.43Å; L213-V235 HydrophobicContact CD1-CG1 4.46Å
214	A	95.8	Very high	91.1	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	89.4	173.3	0	0	0	0	0	110.8	Q223 L227 V234 V235 A236 T237	A214-Q223 VanDerWaalsContact CA-OE1 3.28Å; A214-L227 HydrophobicContact CB-CD1 4.35Å; A214-V234 HydrophobicContact CB-CG1 4.19Å; A214-V235 PolarHBondContact N-O 3.06Å; A214-A236 HydrophobicContact CB-CB 3.9Å; A214-A236 WeakPolarHBondContact O-CA 3.46Å; A214-T237 PolarHBondContact O-N 2.64Å
215	A	92.3	Very high	91	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.31	C	S	.	.			trans	-135.2	151.6	-175	0	0	0	0	0	114.3	R189 L213 L218 Q223 T237	R189-A215 HydrophobicContact CB-CB 4.12Å; R189-A215 HydrophobicContact CG-CB 3.81Å; L213-A215 HydrophobicContact CD1-CB 4.09Å; L213-A215 HydrophobicContact CG-CB 4.23Å; A215-L218 HydrophobicContact CB-CD1 4.3Å; A215-Q223 PolarHBondContact O-OE1 3.26Å; A215-T237 HydrophobicContact CB-CG2 4.1Å
216	G	85.1	Confident	90.9	Very high	27 Å²	27	54.8 Å²	54.8	28%	0.278	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	131.4	-177	0	0	0	0	0	114.6	R189	R189-G216 WeakPolarHBondContact CD-O 3.25Å; R189-G216 PolarHBondContact NH1-O 3.28Å
217	G	78.7	Confident	91	Very high	52 Å²	52	54.2 Å²	54.2	54%	0.536	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	8.7	175	0	0	0	0	0	114.5	R189	R189-G217 PolarHBondContact NH1-O 3.05Å
218	L	83.4	Confident	91.1	Very high	60 Å²	60	54.1 Å²	54.1	31%	0.314	29%	0.287	S	S	.	.	S	Bend	trans	-87.1	163.3	157.7	-68.6	170.2	0	0	0	107.9	L213 A215 L220 Q223	L213-L218 HydrophobicContact CD2-CD1 3.56Å; L213-L218 HydrophobicContact CG-CD1 4.03Å; A215-L218 HydrophobicContact CB-CD1 4.3Å; L218-L220 PolarHBondContact O-N 3.49Å; L218-Q223 HydrophobicContact CB-CG 4.42Å; L218-Q223 PolarHBondContact O-NE2 2.83Å
219	D	86.6	Confident	91.3	Very high	99 Å²	99	50.8 Å²	50.8	53%	0.529	28%	0.278	S	S	.	.			trans	-57.4	128.7	177.4	179.1	52.4	0	0	0	110.5	H221 S222 Q223	D219-H221 PolarHBondContact OD2-N 2.92Å; D219-S222 WeakPolarHBondContact OD2-CB 3.39Å; D219-S222 PolarHBondContact OD2-N 3.29Å; D219-Q223 WeakPolarHBondContact O-CG 3.16Å; D219-Q223 PolarHBondContact O-N 2.73Å; D219-Q223 PolarHBondContact O-NE2 2.84Å
220	L	87.9	Confident	91.3	Very high	37 Å²	37	51.5 Å²	51.5	19%	0.194	28%	0.281	C	S	.	.	H	α-helix	trans	-73.3	-40.7	-171.6	-179.1	55.1	0	0	0	111.1	L218 E224	L218-L220 PolarHBondContact O-N 3.49Å; L220-E224 WeakPolarHBondContact O-CB 3.49Å; L220-E224 PolarHBondContact O-N 2.89Å
221	H	89.6	Confident	91.3	Very high	136 Å²	136	45 Å²	45	63%	0.63	26%	0.257	S	S	*	.	H	α-helix	trans	-76.5	-39.2	-171.5	-66.5	47.7	0	0	0	110.3	D219 E224 A225	D219-H221 PolarHBondContact OD2-N 2.92Å; H221-E224 PolarHBondContact O-N 2.97Å; H221-A225 WeakPolarHBondContact O-CB 3.33Å; H221-A225 PolarHBondContact O-N 2.83Å
222	S	90.5	Very high	91.2	Very high	65 Å²	65	44.6 Å²	44.6	46%	0.455	26%	0.256	S	S	.	.	H	α-helix	trans	-58.8	-48.7	171.4	175.1	0	0	0	0	111.8	D219 E224 A225 S226	D219-S222 WeakPolarHBondContact OD2-CB 3.39Å; D219-S222 PolarHBondContact OD2-N 3.29Å; S222-E224 VanDerWaalsContact C-N 3.32Å; S222-E224 PolarHBondContact O-N 3.4Å; S222-A225 PolarHBondContact O-N 3.06Å; S222-S226 PolarHBondContact O-N 2.9Å; S222-S226 PolarHBondContact O-OG 2.95Å
223	Q	93.4	Very high	91.3	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.023	25%	0.248	C	C	.	.	H	α-helix	trans	-61	-42.6	176.3	-75	173.4	102	0	0	111.7	A214 A215 L218 D219 S226 L227	A214-Q223 VanDerWaalsContact CA-OE1 3.28Å; A215-Q223 PolarHBondContact O-OE1 3.26Å; L218-Q223 HydrophobicContact CB-CG 4.42Å; L218-Q223 PolarHBondContact O-NE2 2.83Å; D219-Q223 WeakPolarHBondContact O-CG 3.16Å; D219-Q223 PolarHBondContact O-N 2.73Å; D219-Q223 PolarHBondContact O-NE2 2.84Å; Q223-S226 PolarHBondContact O-N 2.95Å; Q223-L227 WeakPolarHBondContact O-CB 3.38Å; Q223-L227 VanDerWaalsContact O-CG 3.24Å; Q223-L227 WeakPolarHBondContact O-CG 3.23Å; Q223-L227 PolarHBondContact O-N 2.98Å
224	E	92.1	Very high	91.3	Very high	18 Å²	18	42.2 Å²	42.2	8%	0.084	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-46.4	178	-168.8	175.6	142.9	0	0	111.8	L220 H221 S222 S226 L227 R228 A248 R568	L220-E224 WeakPolarHBondContact O-CB 3.49Å; L220-E224 PolarHBondContact O-N 2.89Å; H221-E224 PolarHBondContact O-N 2.97Å; S222-E224 VanDerWaalsContact C-N 3.32Å; S222-E224 PolarHBondContact O-N 3.4Å; E224-S226 VanDerWaalsContact C-N 3.34Å; E224-S226 PolarHBondContact O-N 3.19Å; E224-L227 PolarHBondContact O-N 2.87Å; E224-R228 WeakPolarHBondContact O-CG 3.32Å; E224-R228 PolarHBondContact O-N 3.39Å; E224-R228 IonicContact OE1-CZ 2.67Å; E224-R228 IonicContact OE1-NE 3.06Å; E224-R228 IonicContact OE1-NH2 3.12Å; E224-R228 PolarHBondContact OE1-NH2 3.42Å; E224-A248 HydrophobicContact CG-CB 3.7Å; E224-R568 IonicContact OE2-CZ 3.13Å; E224-R568 IonicContact OE2-NH1 2.76Å; E224-R568 PolarHBondContact OE2-NH1 3.31Å; E224-R568 IonicContact OE2-NH2 2.67Å
225	A	92	Very high	91.4	Very high	54 Å²	54	42.2 Å²	42.2	45%	0.446	24%	0.244	S	C	.	.	H	α-helix	trans	-59.5	-43.5	176	0	0	0	0	0	111.9	H221 S222 R228	H221-A225 WeakPolarHBondContact O-CB 3.33Å; H221-A225 PolarHBondContact O-N 2.83Å; S222-A225 PolarHBondContact O-N 3.06Å; A225-R228 PolarHBondContact O-N 2.88Å
226	S	92.9	Very high	91.7	Very high	35 Å²	35	42.2 Å²	42.2	25%	0.245	24%	0.244	C	C	.	.	H	α-helix	trans	-68.9	-36.1	177.6	-64.2	0	0	0	0	113.3	Q212 S222 Q223 E224 R228 L229	Q212-S226 VanDerWaalsContact CD-CB 3.4Å; S222-S226 PolarHBondContact O-N 2.9Å; S222-S226 PolarHBondContact O-OG 2.95Å; Q223-S226 PolarHBondContact O-N 2.95Å; E224-S226 VanDerWaalsContact C-N 3.34Å; E224-S226 PolarHBondContact O-N 3.19Å; S226-R228 VanDerWaalsContact C-N 3.33Å; S226-L229 WeakPolarHBondContact O-CB 3.28Å; S226-L229 PolarHBondContact O-N 2.87Å
227	L	94.8	Very high	92.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.3	-31.9	176.9	-73.4	170.7	0	0	0	112.4	Q212 A214 Q223 E224 L229 N230 P231 V234 H244 F251	Q212-L227 HydrophobicContact CB-CD2 4.37Å; Q212-L227 HydrophobicContact CG-CD2 3.89Å; Q212-L227 HydrophobicContact CG-CG 4.22Å; A214-L227 HydrophobicContact CB-CD1 4.35Å; Q223-L227 WeakPolarHBondContact O-CB 3.38Å; Q223-L227 VanDerWaalsContact O-CG 3.24Å; Q223-L227 WeakPolarHBondContact O-CG 3.23Å; Q223-L227 PolarHBondContact O-N 2.98Å; E224-L227 PolarHBondContact O-N 2.87Å; L227-L229 PolarHBondContact O-N 3.29Å; L227-N230 PolarHBondContact O-N 2.94Å; L227-P231 HydrophobicContact CD2-CG 4.36Å; L227-V234 HydrophobicContact CD2-CG1 4.25Å; L227-V234 HydrophobicContact CD2-CG2 3.85Å; L227-H244 HydrophobicContact CD1-CB 3.73Å; L227-H244 VanDerWaalsContact CD1-CG 3.45Å; L227-F251 HydrophobicContact CB-CB 4.42Å; L227-F251 HydrophobicContact CB-CD2 4.09Å; L227-F251 HydrophobicContact CB-CG 4.1Å; L227-F251 HydrophobicContact CD1-CD1 4.44Å; L227-F251 HydrophobicContact CD1-CE1 4.4Å; L227-F251 HydrophobicContact CD2-CD2 4.17Å; L227-F251 HydrophobicContact CD2-CE1 4.39Å; L227-F251 HydrophobicContact CD2-CE2 3.78Å; L227-F251 HydrophobicContact CD2-CZ 3.9Å
228	R	91.7	Very high	92.8	Very high	124 Å²	124	39.1 Å²	39.1	47%	0.468	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.7	173.2	-71	174.2	-167.8	-175.8	2.8	113.2	E224 A225 S226 N230	E224-R228 WeakPolarHBondContact O-CG 3.32Å; E224-R228 PolarHBondContact O-N 3.39Å; E224-R228 IonicContact OE1-CZ 2.67Å; E224-R228 IonicContact OE1-NE 3.06Å; E224-R228 IonicContact OE1-NH2 3.12Å; E224-R228 PolarHBondContact OE1-NH2 3.42Å; A225-R228 PolarHBondContact O-N 2.88Å; S226-R228 VanDerWaalsContact C-N 3.33Å; R228-N230 PolarHBondContact O-N 3.03Å
229	L	91.9	Very high	93.2	Very high	117 Å²	117	37 Å²	37	61%	0.613	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.3	0.6	174.1	-58.1	176.6	0	0	0	113.3	S226 L227	S226-L229 WeakPolarHBondContact O-CB 3.28Å; S226-L229 PolarHBondContact O-N 2.87Å; L227-L229 PolarHBondContact O-N 3.29Å
230	N	92.9	Very high	93.5	Very high	33 Å²	33	34.9 Å²	34.9	18%	0.176	19%	0.187	C	C	.	.			trans	49.1	67.6	-179.9	-66.7	-30.6	0	0	0	112.7	A178 L227 R228	A178-N230 HydrophobicContact CB-CB 4.06Å; A178-N230 WeakPolarHBondContact O-CB 3.45Å; A178-N230 PolarHBondContact O-ND2 3.33Å; L227-N230 PolarHBondContact O-N 2.94Å; R228-N230 PolarHBondContact O-N 3.03Å
231	P	95	Very high	93.9	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.032	18%	0.178	C	C	.	.			trans	-61.2	147.1	176.1	28.3	-36	0	0	0	111.4	T180 R210 Q212 L227 L233 V234	T180-P231 VanDerWaalsContact CA-O 3.25Å; T180-P231 WeakPolarHBondContact CA-O 3.37Å; T180-P231 WeakPolarHBondContact CB-O 3.31Å; T180-P231 WeakPolarHBondContact CG2-O 3.49Å; T180-P231 PolarHBondContact OG1-O 3.27Å; T180-P231 VanDerWaalsContact OG1-O 3.13Å; R210-P231 HydrophobicContact CB-CB 4.16Å; R210-P231 CarbonylContact O-C 3.52Å; Q212-P231 HydrophobicContact CB-CB 3.89Å; Q212-P231 HydrophobicContact CB-CG 3.55Å; Q212-P231 HydrophobicContact CG-CG 4.43Å; L227-P231 HydrophobicContact CD2-CG 4.36Å; P231-L233 VanDerWaalsContact C-N 3.32Å; P231-L233 PolarHBondContact O-N 3.1Å; P231-V234 HydrophobicContact CG-CG2 3.69Å
232	D	95.4	Very high	94.1	Very high	19 Å²	19	26.7 Å²	26.7	10%	0.102	15%	0.148	C	C	.	.	S	Bend	trans	-61.3	-39.8	179.4	-66.5	-89.9	0	0	0	113	L168 R181 A182 L209 R210	L168-D232 HydrophobicContact CD1-CB 4.4Å; R181-D232 IonicContact CZ-OD1 2.62Å; R181-D232 PolarHBondContact N-O 3.26Å; R181-D232 IonicContact NE-OD1 2.68Å; R181-D232 IonicContact NH2-OD1 3.12Å; R181-D232 PolarHBondContact NH2-OD1 3.06Å; A182-D232 PolarHBondContact N-O 3.46Å; L209-D232 WeakPolarHBondContact CA-OD2 3.49Å; L209-D232 HydrophobicContact CD2-CB 4.37Å; R210-D232 PolarHBondContact N-OD2 3.44Å; R210-D232 WeakPolarHBondContact O-CB 3.41Å; R210-D232 PolarHBondContact O-N 3.02Å
233	L	97.5	Very high	94.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.9	-178.9	168.1	66	0	0	0	110.6	L161 L165 L168 A182 V184 A199 R210 I211 Q212 P231 V235	L161-L233 HydrophobicContact CD2-CD2 4.38Å; L165-L233 HydrophobicContact CD2-CD2 3.96Å; L168-L233 HydrophobicContact CD1-CB 4.17Å; A182-L233 HydrophobicContact CB-CB 4.25Å; A182-L233 HydrophobicContact CB-CD1 3.63Å; A182-L233 WeakPolarHBondContact O-CA 3.45Å; V184-L233 HydrophobicContact CG2-CD1 3.85Å; A199-L233 HydrophobicContact CB-CD2 4.25Å; R210-L233 PolarHBondContact O-N 3.14Å; I211-L233 CarbonylContact C-O 3.57Å; I211-L233 VanDerWaalsContact CA-O 3.28Å; I211-L233 WeakPolarHBondContact CA-O 3.33Å; I211-L233 HydrophobicContact CG2-CB 4.04Å; I211-L233 HydrophobicContact CG2-CD2 4.12Å; I211-L233 HydrophobicContact CG2-CG 4.44Å; Q212-L233 PolarHBondContact N-O 3.4Å; P231-L233 VanDerWaalsContact C-N 3.32Å; P231-L233 PolarHBondContact O-N 3.1Å; L233-V235 HydrophobicContact CG-CG2 4.48Å
234	V	98.1	Very high	94.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.1	170.5	176.5	0	0	0	0	109.7	T180 A182 L183 V184 Q212 A214 L227 P231 A236 F251	T180-V234 HydrophobicContact CG2-CB 4.38Å; T180-V234 HydrophobicContact CG2-CG2 3.73Å; A182-V234 PolarHBondContact O-N 3.12Å; L183-V234 CarbonylContact C-O 3.53Å; L183-V234 WeakPolarHBondContact CA-O 3.2Å; L183-V234 HydrophobicContact CD1-CB 4.1Å; L183-V234 HydrophobicContact CD1-CG1 4.07Å; V184-V234 PolarHBondContact N-O 2.9Å; Q212-V234 WeakPolarHBondContact O-CA 3.08Å; A214-V234 HydrophobicContact CB-CG1 4.19Å; L227-V234 HydrophobicContact CD2-CG1 4.25Å; L227-V234 HydrophobicContact CD2-CG2 3.85Å; P231-V234 HydrophobicContact CG-CG2 3.69Å; V234-A236 HydrophobicContact CG1-CB 4.09Å; V234-F251 HydrophobicContact CG2-CE2 4.08Å; V234-F251 HydrophobicContact CG2-CZ 4.24Å
235	V	98.4	Very high	94.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.8	167.9	-174.8	0	0	0	0	107.6	V184 A192 I195 F196 Q212 L213 A214 L233	V184-V235 HydrophobicContact CB-CG1 4.39Å; V184-V235 HydrophobicContact CB-CG2 4.3Å; V184-V235 HydrophobicContact CG1-CG1 4.45Å; V184-V235 CarbonylContact O-C 3.58Å; V184-V235 WeakPolarHBondContact O-CA 2.94Å; A192-V235 HydrophobicContact CB-CG1 4.07Å; A192-V235 WeakPolarHBondContact O-CG1 3.38Å; I195-V235 HydrophobicContact CB-CG1 4Å; I195-V235 HydrophobicContact CG2-CG1 3.84Å; I195-V235 HydrophobicContact CG2-CG2 4.05Å; F196-V235 HydrophobicContact CB-CB 4.4Å; F196-V235 HydrophobicContact CB-CG2 4.45Å; F196-V235 HydrophobicContact CD2-CG2 4.5Å; Q212-V235 PolarHBondContact O-N 2.67Å; L213-V235 CarbonylContact C-O 3.6Å; L213-V235 WeakPolarHBondContact CA-O 3.24Å; L213-V235 HydrophobicContact CD1-CB 4.43Å; L213-V235 HydrophobicContact CD1-CG1 4.46Å; A214-V235 PolarHBondContact N-O 3.06Å; L233-V235 HydrophobicContact CG-CG2 4.48Å
236	A	97.1	Very high	94	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	155.4	-169.3	0	0	0	0	0	115.3	L183 V184 I185 S186 A214 V234 L241	L183-A236 HydrophobicContact CD1-CB 4.27Å; V184-A236 PolarHBondContact O-N 3.39Å; I185-A236 WeakPolarHBondContact CA-O 3.32Å; S186-A236 PolarHBondContact N-O 3.46Å; A214-A236 HydrophobicContact CB-CB 3.9Å; A214-A236 WeakPolarHBondContact O-CA 3.46Å; V234-A236 HydrophobicContact CG1-CB 4.09Å; A236-L241 HydrophobicContact CB-CB 4Å; A236-L241 HydrophobicContact CB-CD1 4.09Å; A236-L241 HydrophobicContact CB-CD2 4.19Å; A236-L241 HydrophobicContact CB-CG 4.33Å
237	T	94.4	Very high	93.7	Very high	13 Å²	13	24.2 Å²	24.2	8%	0.08	12%	0.124	C	C	.	.			trans	-93.9	141.8	162.1	58.7	0	0	0	0	110.3	R189 A192 A214 A215 G239 R240 L241	R189-T237 HydrophobicContact CB-CG2 4.3Å; A192-T237 HydrophobicContact CB-CG2 4.16Å; A214-T237 PolarHBondContact O-N 2.64Å; A215-T237 HydrophobicContact CB-CG2 4.1Å; T237-G239 PolarHBondContact O-N 3.08Å; T237-R240 PolarHBondContact O-N 3.43Å; T237-L241 PolarHBondContact O-N 2.86Å
238	P	94.1	Very high	93.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-52.1	-51.6	-171.3	-28.4	33	0	0	0	114.4	I185 S186 R240 L241 I242 L267 Q275 I276 I279	I185-P238 HydrophobicContact CG2-CG 3.73Å; S186-P238 WeakPolarHBondContact O-CD 3.42Å; P238-R240 PolarHBondContact O-N 3.09Å; P238-L241 WeakPolarHBondContact O-CB 3.25Å; P238-L241 PolarHBondContact O-N 3.34Å; P238-I242 WeakPolarHBondContact O-CG1 3.45Å; P238-I242 PolarHBondContact O-N 3.26Å; P238-L267 HydrophobicContact CG-CD2 4.04Å; P238-Q275 HydrophobicContact CB-CB 3.92Å; P238-I276 HydrophobicContact CB-CD1 4.26Å; P238-I276 HydrophobicContact CG-CD1 3.79Å; P238-I279 HydrophobicContact CB-CD1 3.75Å
239	G	91.8	Very high	92.8	Very high	16 Å²	16	22 Å²	22	17%	0.165	13%	0.126	C	C	.	.	H	α-helix	trans	-65.4	-39.8	-175.4	0	0	0	0	0	114.1	T237 L241 D243 Q275	T237-G239 PolarHBondContact O-N 3.08Å; G239-L241 VanDerWaalsContact C-N 3.34Å; G239-D243 PolarHBondContact O-N 3.4Å; G239-Q275 VanDerWaalsContact CA-OE1 3.3Å; G239-Q275 VanDerWaalsContact N-OE1 3.07Å
240	R	92.6	Very high	92.5	Very high	54 Å²	54	20.9 Å²	20.9	20%	0.204	13%	0.128	C	C	.	.	H	α-helix	trans	-69.5	-35.5	176.2	-177.9	59.6	67.5	-166	3.6	111.4	T237 P238 D243 H244	T237-R240 PolarHBondContact O-N 3.43Å; P238-R240 PolarHBondContact O-N 3.09Å; R240-D243 IonicContact CZ-OD2 3.61Å; R240-D243 IonicContact NH1-OD2 3Å; R240-D243 PolarHBondContact NH1-OD2 3.48Å; R240-D243 PolarHBondContact O-N 2.89Å; R240-H244 WeakPolarHBondContact CD-NE2 3.49Å; R240-H244 PolarHBondContact O-CD2 3.07Å; R240-H244 PolarHBondContact O-N 3.44Å; R240-H244 VanDerWaalsContact O-N 3.1Å
241	L	95.8	Very high	92.5	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.9	-48.7	177.2	-174.3	62.3	0	0	0	111.3	L183 A236 T237 P238 G239 D243 H244 L245 F251 L253 I279	L183-L241 HydrophobicContact CD1-CD1 4.44Å; L183-L241 HydrophobicContact CD1-CD2 3.87Å; L183-L241 HydrophobicContact CD2-CD2 3.76Å; L183-L241 HydrophobicContact CG-CD2 4.42Å; A236-L241 HydrophobicContact CB-CB 4Å; A236-L241 HydrophobicContact CB-CD1 4.09Å; A236-L241 HydrophobicContact CB-CD2 4.19Å; A236-L241 HydrophobicContact CB-CG 4.33Å; T237-L241 PolarHBondContact O-N 2.86Å; P238-L241 WeakPolarHBondContact O-CB 3.25Å; P238-L241 PolarHBondContact O-N 3.34Å; G239-L241 VanDerWaalsContact C-N 3.34Å; L241-D243 VanDerWaalsContact C-N 3.29Å; L241-D243 PolarHBondContact O-N 3.13Å; L241-H244 PolarHBondContact O-N 2.95Å; L241-H244 VanDerWaalsContact O-N 3.1Å; L241-L245 HydrophobicContact CG-CD1 4.21Å; L241-L245 HydrophobicContact CG-CG 4.43Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 3.26Å; L241-F251 HydrophobicContact CD1-CE1 3.89Å; L241-F251 HydrophobicContact CD1-CZ 4.1Å; L241-L253 HydrophobicContact CD2-CD1 4.2Å; L241-I279 HydrophobicContact CD2-CD1 4.07Å; L241-I279 HydrophobicContact CD2-CG1 4.17Å; L241-I279 HydrophobicContact CD2-CG2 3.82Å
242	I	93.3	Very high	92.4	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-58.5	-42.2	178.6	-67.5	169.5	0	0	0	111.5	P238 H244 L245 S246 Q275 E278 I279 W571	P238-I242 WeakPolarHBondContact O-CG1 3.45Å; P238-I242 PolarHBondContact O-N 3.26Å; I242-H244 VanDerWaalsContact C-N 3.35Å; I242-H244 PolarHBondContact O-N 2.87Å; I242-L245 PolarHBondContact O-N 3.4Å; I242-S246 PolarHBondContact O-N 2.8Å; I242-S246 PolarHBondContact O-OG 3.26Å; I242-Q275 HydrophobicContact CD1-CB 3.61Å; I242-Q275 HydrophobicContact CD1-CG 3.95Å; I242-E278 HydrophobicContact CD1-CB 4.48Å; I242-I279 HydrophobicContact CD1-CD1 4.32Å; I242-I279 HydrophobicContact CD1-CG1 4.18Å; I242-I279 HydrophobicContact CG1-CD1 4.14Å; I242-I279 HydrophobicContact CG1-CG1 3.77Å; I242-W571 HydrophobicContact CD1-CH2 4.4Å; I242-W571 HydrophobicContact CD1-CZ2 4.46Å; I242-W571 HydrophobicContact CD1-CZ3 4.48Å; I242-W571 HydrophobicContact CG2-CB 3.93Å; I242-W571 HydrophobicContact CG2-CD2 3.71Å; I242-W571 HydrophobicContact CG2-CE3 4.21Å; I242-W571 HydrophobicContact CG2-CG 3.56Å
243	D	91.7	Very high	92.4	Very high	25 Å²	25	21.5 Å²	21.5	13%	0.134	13%	0.13	C	C	.	.	H	α-helix	trans	-58.3	-45.9	175.1	172.5	31.1	0	0	0	111.4	G239 R240 L241 S246 N247 R568	G239-D243 PolarHBondContact O-N 3.4Å; R240-D243 IonicContact CZ-OD2 3.61Å; R240-D243 IonicContact NH1-OD2 3Å; R240-D243 PolarHBondContact NH1-OD2 3.48Å; R240-D243 PolarHBondContact O-N 2.89Å; L241-D243 VanDerWaalsContact C-N 3.29Å; L241-D243 PolarHBondContact O-N 3.13Å; D243-S246 PolarHBondContact O-N 2.74Å; D243-N247 WeakPolarHBondContact O-CB 3.4Å; D243-N247 PolarHBondContact O-N 3.28Å; D243-N247 PolarHBondContact O-ND2 2.92Å; D243-N247 PolarHBondContact OD1-ND2 3.45Å; D243-R568 VanDerWaalsContact CG-NH2 3.27Å; D243-R568 IonicContact OD1-CZ 3.15Å; D243-R568 VanDerWaalsContact OD1-CZ 3.27Å; D243-R568 IonicContact OD1-NE 3.22Å; D243-R568 PolarHBondContact OD1-NE 3.39Å; D243-R568 IonicContact OD1-NH2 3.36Å; D243-R568 PolarHBondContact OD1-NH2 2.78Å; D243-R568 IonicContact OD2-CZ 3.66Å; D243-R568 IonicContact OD2-NE 3.91Å; D243-R568 IonicContact OD2-NH2 2.98Å; D243-R568 PolarHBondContact OD2-NH2 3.02Å
244	H	93.9	Very high	92.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-67.8	-36	175	-72.1	-60.6	0	0	0	113.4	L227 R240 L241 I242 S246 N247 A248 F251	L227-H244 HydrophobicContact CD1-CB 3.73Å; L227-H244 VanDerWaalsContact CD1-CG 3.45Å; R240-H244 WeakPolarHBondContact CD-NE2 3.49Å; R240-H244 PolarHBondContact O-CD2 3.07Å; R240-H244 PolarHBondContact O-N 3.44Å; R240-H244 VanDerWaalsContact O-N 3.1Å; L241-H244 PolarHBondContact O-N 2.95Å; L241-H244 VanDerWaalsContact O-N 3.1Å; I242-H244 VanDerWaalsContact C-N 3.35Å; I242-H244 PolarHBondContact O-N 2.87Å; H244-S246 PolarHBondContact O-N 2.96Å; H244-N247 PolarHBondContact O-N 3.11Å; H244-A248 HydrophobicContact CB-CB 4.31Å; H244-A248 WeakPolarHBondContact O-CA 3.35Å; H244-A248 WeakPolarHBondContact O-CB 3.4Å; H244-A248 PolarHBondContact O-N 2.94Å; H244-F251 HydrophobicContact CB-CD1 4.4Å
245	L	92.3	Very high	91.9	Very high	24 Å²	24	30.7 Å²	30.7	13%	0.126	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-29.6	175.6	-66	171.9	0	0	0	112.7	L241 I242 F251 L253 F282	L241-L245 HydrophobicContact CG-CD1 4.21Å; L241-L245 HydrophobicContact CG-CG 4.43Å; L241-L245 WeakPolarHBondContact O-CG 3.45Å; L241-L245 PolarHBondContact O-N 3.26Å; I242-L245 PolarHBondContact O-N 3.4Å; L245-F251 HydrophobicContact CD2-CD1 3.89Å; L245-F251 HydrophobicContact CD2-CE1 3.65Å; L245-F251 HydrophobicContact CG-CE1 4.4Å; L245-L253 HydrophobicContact CD1-CD1 3.69Å; L245-L253 HydrophobicContact CD1-CG 4.38Å; L245-L253 HydrophobicContact CD2-CD1 3.86Å; L245-L253 HydrophobicContact CD2-CD2 4.35Å; L245-L253 HydrophobicContact CD2-CG 3.62Å; L245-L253 HydrophobicContact CG-CD1 4.35Å; L245-F282 HydrophobicContact CD1-CB 4.23Å; L245-F282 HydrophobicContact CD1-CD2 3.86Å; L245-F282 HydrophobicContact CD1-CE2 4.42Å; L245-F282 HydrophobicContact CD1-CG 4.06Å
246	S	88.4	Confident	91.7	Very high	47 Å²	47	30.7 Å²	30.7	33%	0.329	17%	0.173	S	C	.	.	H	α-helix	trans	-85.4	-30.2	-179.4	-51.4	0	0	0	0	112.5	I242 D243 H244	I242-S246 PolarHBondContact O-N 2.8Å; I242-S246 PolarHBondContact O-OG 3.26Å; D243-S246 PolarHBondContact O-N 2.74Å; H244-S246 PolarHBondContact O-N 2.96Å
247	N	87.5	Confident	91.6	Very high	29 Å²	29	31.9 Å²	31.9	16%	0.155	18%	0.179	C	C	.	.	H	α-helix	trans	-121.9	-16.2	-166.2	-63.2	-62.1	0	0	0	114.9	D243 H244 P249 R568 V569	D243-N247 WeakPolarHBondContact O-CB 3.4Å; D243-N247 PolarHBondContact O-N 3.28Å; D243-N247 PolarHBondContact O-ND2 2.92Å; D243-N247 PolarHBondContact OD1-ND2 3.45Å; H244-N247 PolarHBondContact O-N 3.11Å; N247-P249 WeakPolarHBondContact O-CD 3.25Å; N247-R568 HydrophobicContact CB-CG 4.06Å; N247-R568 VanDerWaalsContact CB-CZ 3.46Å; N247-R568 WeakPolarHBondContact ND2-CG 3.16Å; N247-R568 PolarHBondContact ND2-NE 3.11Å; N247-R568 WeakPolarHBondContact OD1-CG 3.4Å; N247-V569 PolarHBondContact ND2-O 3.32Å; N247-V569 PolarHBondContact OD1-N 3.26Å
248	A	86.7	Confident	91.8	Very high	5 Å²	5	31.8 Å²	31.8	4%	0.041	18%	0.177	C	C	.	.	S	Bend	trans	-91.2	103.5	177.3	0	0	0	0	0	109.6	E224 H244 F251	E224-A248 HydrophobicContact CG-CB 3.7Å; H244-A248 HydrophobicContact CB-CB 4.31Å; H244-A248 WeakPolarHBondContact O-CA 3.35Å; H244-A248 WeakPolarHBondContact O-CB 3.4Å; H244-A248 PolarHBondContact O-N 2.94Å; A248-F251 HydrophobicContact CB-CB 4.09Å; A248-F251 PolarHBondContact O-N 3.13Å
249	P	80.8	Confident	91.9	Very high	73 Å²	73	31.8 Å²	31.8	47%	0.474	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	144.5	177.2	25.3	-33.7	0	0	0	110.3	N247 F251	N247-P249 WeakPolarHBondContact O-CD 3.25Å; P249-F251 PolarHBondContact O-N 3.24Å; P249-F251 VanDerWaalsContact O-N 3.16Å
250	S	85.8	Confident	92.2	Very high	94 Å²	94	31.1 Å²	31.1	66%	0.657	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	-16.6	-179	-47.5	0	0	0	0	117.2
251	F	92.5	Very high	92.4	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.035	16%	0.16	C	C	.	.			trans	-84.2	122.4	175	177.8	-110.2	0	0	0	110.9	T180 L227 V234 L241 H244 L245 A248 P249 L253	T180-F251 HydrophobicContact CG2-CE2 4.42Å; L227-F251 HydrophobicContact CB-CB 4.42Å; L227-F251 HydrophobicContact CB-CD2 4.09Å; L227-F251 HydrophobicContact CB-CG 4.1Å; L227-F251 HydrophobicContact CD1-CD1 4.44Å; L227-F251 HydrophobicContact CD1-CE1 4.4Å; L227-F251 HydrophobicContact CD2-CD2 4.17Å; L227-F251 HydrophobicContact CD2-CE1 4.39Å; L227-F251 HydrophobicContact CD2-CE2 3.78Å; L227-F251 HydrophobicContact CD2-CZ 3.9Å; V234-F251 HydrophobicContact CG2-CE2 4.08Å; V234-F251 HydrophobicContact CG2-CZ 4.24Å; L241-F251 HydrophobicContact CD1-CE1 3.89Å; L241-F251 HydrophobicContact CD1-CZ 4.1Å; H244-F251 HydrophobicContact CB-CD1 4.4Å; L245-F251 HydrophobicContact CD2-CD1 3.89Å; L245-F251 HydrophobicContact CD2-CE1 3.65Å; L245-F251 HydrophobicContact CG-CE1 4.4Å; A248-F251 HydrophobicContact CB-CB 4.09Å; A248-F251 PolarHBondContact O-N 3.13Å; P249-F251 PolarHBondContact O-N 3.24Å; P249-F251 VanDerWaalsContact O-N 3.16Å; F251-L253 HydrophobicContact CE1-CD2 4.44Å; F251-L253 HydrophobicContact CZ-CD2 3.92Å
252	N	92.7	Very high	92.4	Very high	59 Å²	59	28.7 Å²	28.7	32%	0.316	16%	0.161	S	C	.	.			trans	-147.3	166.6	178.2	70.1	71.3	0	0	0	111.7	Q254	N252-Q254 HydrophobicContact CB-CG 4.45Å; N252-Q254 WeakPolarHBondContact OD1-CB 3.45Å; N252-Q254 PolarHBondContact OD1-N 3.42Å; N252-Q254 VanDerWaalsContact OD1-N 3.14Å
253	L	94.2	Very high	92.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.163	C	C	.	.	S	Bend	trans	-109.5	13.5	-178	-57.1	176.8	0	0	0	113.2	L183 L241 L245 F251 H255 I256 I279 F282 C283 S284	L183-L253 HydrophobicContact CD2-CD1 3.89Å; L183-L253 HydrophobicContact CD2-CD2 4.22Å; L241-L253 HydrophobicContact CD2-CD1 4.2Å; L245-L253 HydrophobicContact CD1-CD1 3.69Å; L245-L253 HydrophobicContact CD1-CG 4.38Å; L245-L253 HydrophobicContact CD2-CD1 3.86Å; L245-L253 HydrophobicContact CD2-CD2 4.35Å; L245-L253 HydrophobicContact CD2-CG 3.62Å; L245-L253 HydrophobicContact CG-CD1 4.35Å; F251-L253 HydrophobicContact CE1-CD2 4.44Å; F251-L253 HydrophobicContact CZ-CD2 3.92Å; L253-H255 PolarHBondContact O-N 3.15Å; L253-I256 HydrophobicContact CB-CG1 3.81Å; L253-I256 HydrophobicContact CD2-CD1 4.08Å; L253-I256 HydrophobicContact CD2-CG1 3.98Å; L253-I256 HydrophobicContact CG-CG1 4.45Å; L253-I256 WeakPolarHBondContact O-CG1 3.44Å; L253-I256 PolarHBondContact O-N 3.15Å; L253-I279 HydrophobicContact CD1-CG2 4.08Å; L253-F282 CarbonylContact C-O 3.6Å; L253-F282 VanDerWaalsContact C-O 3.29Å; L253-F282 HydrophobicContact CB-CB 4.28Å; L253-F282 WeakPolarHBondContact CB-O 3.45Å; L253-F282 HydrophobicContact CD1-CB 4.19Å; L253-C283 WeakPolarHBondContact O-CA 3.29Å; L253-S284 PolarHBondContact O-N 3.22Å
254	Q	92.5	Very high	92.2	Very high	132 Å²	132	28 Å²	28	62%	0.617	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.8	-174.1	-63.6	-178.7	-6.3	0	0	112.8	N252 S284	N252-Q254 HydrophobicContact CB-CG 4.45Å; N252-Q254 WeakPolarHBondContact OD1-CB 3.45Å; N252-Q254 PolarHBondContact OD1-N 3.42Å; N252-Q254 VanDerWaalsContact OD1-N 3.14Å; Q254-S284 VanDerWaalsContact O-CB 3.31Å; Q254-S284 WeakPolarHBondContact O-CB 3.33Å
255	H	92.9	Very high	91.9	Very high	61 Å²	61	28.1 Å²	28.1	28%	0.282	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	14.1	-178.4	-59.7	-74.3	0	0	0	113.7	F175 V179 T180 L253 E257	F175-H255 AromaticContact CE1-CE1 3.8Å; F175-H255 AromaticContact CE1-ND1 3.69Å; F175-H255 AromaticContact CZ-ND1 3.5Å; V179-H255 HydrophobicContact CB-CB 4.27Å; T180-H255 CarbonylContact O-C 3.53Å; L253-H255 PolarHBondContact O-N 3.15Å; H255-E257 PolarHBondContact O-N 3.3Å
256	I	95.3	Very high	91.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.			trans	-62.9	120	175.1	-67.5	-63.7	0	0	0	110.2	T180 L183 L253 L259 S284 R287	T180-I256 HydrophobicContact CG2-CD1 3.81Å; L183-I256 HydrophobicContact CB-CD1 3.75Å; L183-I256 HydrophobicContact CB-CG1 4.39Å; L253-I256 HydrophobicContact CB-CG1 3.81Å; L253-I256 HydrophobicContact CD2-CD1 4.08Å; L253-I256 HydrophobicContact CD2-CG1 3.98Å; L253-I256 HydrophobicContact CG-CG1 4.45Å; L253-I256 WeakPolarHBondContact O-CG1 3.44Å; L253-I256 PolarHBondContact O-N 3.15Å; I256-L259 HydrophobicContact CG2-CB 4.34Å; I256-S284 VanDerWaalsContact O-CB 3.32Å; I256-S284 WeakPolarHBondContact O-CB 3.36Å; I256-R287 WeakPolarHBondContact O-CB 3.21Å
257	E	95.3	Very high	91.3	Very high	26 Å²	26	25.2 Å²	25.2	12%	0.121	14%	0.138	C	C	.	.			trans	-99.4	-28	174.2	-64.1	178.2	-167	0	0	111.7	K171 R181 H255 R287 Q288	K171-E257 WeakPolarHBondContact CD-OE2 3.38Å; K171-E257 IonicContact NZ-OE1 3.86Å; K171-E257 PolarHBondContact NZ-OE1 3.36Å; K171-E257 IonicContact NZ-OE2 3.77Å; K171-E257 PolarHBondContact NZ-OE2 3.38Å; K171-E257 VanDerWaalsContact NZ-OE2 3.12Å; R181-E257 PolarHBondContact O-N 3.44Å; H255-E257 PolarHBondContact O-N 3.3Å; E257-R287 CarbonylContact O-C 3.52Å; E257-R287 WeakPolarHBondContact O-CA 3.43Å; E257-R287 WeakPolarHBondContact O-CB 3.47Å; E257-Q288 PolarHBondContact O-N 2.81Å
258	Y	97.1	Very high	91.1	Very high	11 Å²	11	25.3 Å²	25.3	4%	0.043	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	113.3	-176.8	-50.4	-82.3	0	0	0	110.6	H143 V164 R167 L168 R181 A182 L183 Q288	H143-Y258 AromaticContact CE1-CE1 3.98Å; H143-Y258 AromaticContact ND1-CE1 3.85Å; V164-Y258 HydrophobicContact CG1-CG 4.44Å; V164-Y258 HydrophobicContact CG2-CG 4.49Å; R167-Y258 HydrophobicContact CB-CE1 3.96Å; R167-Y258 HydrophobicContact CB-CE2 4.17Å; R167-Y258 WeakPolarHBondContact CB-OH 3.46Å; R167-Y258 HydrophobicContact CG-CE1 4.03Å; L168-Y258 HydrophobicContact CD2-CD2 4.3Å; L168-Y258 HydrophobicContact CD2-CE2 4.34Å; R181-Y258 PolarHBondContact O-N 3.35Å; A182-Y258 CarbonylContact C-O 3.57Å; A182-Y258 VanDerWaalsContact CA-O 3.31Å; A182-Y258 WeakPolarHBondContact CA-O 3.42Å; A182-Y258 HydrophobicContact CB-CD2 4.42Å; L183-Y258 PolarHBondContact N-O 3.16Å; Y258-Q288 WeakPolarHBondContact CA-O 3.32Å; Y258-Q288 HydrophobicContact CD1-CB 4.2Å
259	L	97.8	Very high	90.7	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.9	175.1	176.3	63.3	0	0	0	109.9	L183 I185 I256 L261 I280 Q288 T289 L290	L183-L259 HydrophobicContact CB-CD1 4.17Å; L183-L259 HydrophobicContact CD2-CD1 3.91Å; L183-L259 HydrophobicContact CG-CD1 4.07Å; L183-L259 CarbonylContact O-C 3.55Å; L183-L259 WeakPolarHBondContact O-CA 3.43Å; I185-L259 HydrophobicContact CD1-CD1 3.95Å; I185-L259 HydrophobicContact CG1-CD1 4.18Å; I256-L259 HydrophobicContact CG2-CB 4.34Å; L259-L261 HydrophobicContact CD1-CD2 4.12Å; L259-L261 HydrophobicContact CD2-CD2 4.34Å; L259-L261 HydrophobicContact CG-CD2 4.18Å; L259-L261 HydrophobicContact CG-CG 4.39Å; L259-I280 HydrophobicContact CD2-CG1 4.46Å; L259-Q288 PolarHBondContact N-O 2.85Å; L259-T289 HydrophobicContact CB-CG2 4.2Å; L259-T289 HydrophobicContact CD2-CG2 4.01Å; L259-T289 HydrophobicContact CG-CG2 4.1Å; L259-T289 CarbonylContact O-C 3.53Å; L259-T289 VanDerWaalsContact O-CA 3.28Å; L259-T289 WeakPolarHBondContact O-CA 3.48Å; L259-L290 PolarHBondContact O-N 2.84Å
260	V	98.1	Very high	90	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	128.6	173	-176.5	0	0	0	0	109.5	F160 V164 L183 V184 I185 L290	F160-V260 HydrophobicContact CB-CG1 4Å; F160-V260 HydrophobicContact CB-CG2 4.25Å; F160-V260 HydrophobicContact CD1-CG1 3.96Å; F160-V260 HydrophobicContact CD2-CB 4.42Å; F160-V260 HydrophobicContact CD2-CG1 3.71Å; F160-V260 HydrophobicContact CD2-CG2 4.17Å; F160-V260 HydrophobicContact CE1-CG1 4.29Å; F160-V260 HydrophobicContact CE2-CG1 4.09Å; F160-V260 HydrophobicContact CG-CG1 3.65Å; F160-V260 HydrophobicContact CG-CG2 4.45Å; F160-V260 HydrophobicContact CZ-CG1 4.37Å; V164-V260 HydrophobicContact CG2-CG2 4.17Å; L183-V260 PolarHBondContact O-N 3.4Å; V184-V260 HydrophobicContact CB-CB 4.26Å; V184-V260 HydrophobicContact CG1-CB 4.13Å; V184-V260 HydrophobicContact CG1-CG1 4.21Å; V184-V260 HydrophobicContact CG2-CB 3.9Å; V184-V260 HydrophobicContact CG2-CG2 3.99Å; I185-V260 PolarHBondContact N-O 2.89Å; V260-L290 CarbonylContact C-O 3.51Å; V260-L290 WeakPolarHBondContact CA-O 3.34Å; V260-L290 HydrophobicContact CG2-CB 4.29Å; V260-L290 HydrophobicContact CG2-CD1 4.26Å
261	L	96.6	Very high	89.4	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	98	172.8	-56.5	179.4	0	0	0	108	I185 L259 L267 T289 L290 F292 L303	I185-L261 HydrophobicContact CB-CD2 4.06Å; I185-L261 HydrophobicContact CD1-CD2 3.81Å; I185-L261 HydrophobicContact CG1-CD2 4.2Å; L259-L261 HydrophobicContact CD1-CD2 4.12Å; L259-L261 HydrophobicContact CD2-CD2 4.34Å; L259-L261 HydrophobicContact CG-CD2 4.18Å; L259-L261 HydrophobicContact CG-CG 4.39Å; L261-L267 HydrophobicContact CB-CD1 4.09Å; L261-L267 HydrophobicContact CD2-CD1 4.44Å; L261-T289 HydrophobicContact CD1-CG2 4.45Å; L261-L290 PolarHBondContact N-O 2.75Å; L261-F292 PolarHBondContact O-N 2.67Å; L261-L303 HydrophobicContact CD1-CD1 4.35Å; L261-L303 HydrophobicContact CD1-CD2 4.08Å; L261-L303 HydrophobicContact CD1-CG 4.35Å
262	D	94.7	Very high	88.8	Confident	4 Å²	4	39.5 Å²	39.5	2%	0.021	18%	0.181	C	C	.	.			trans	-92.2	148.6	179.6	-167	23.6	0	0	0	111.5	F160 I185 P187 A264 L267 F292	F160-D262 HydrophobicContact CE1-CB 4.17Å; F160-D262 HydrophobicContact CZ-CB 4.37Å; I185-D262 PolarHBondContact O-N 2.95Å; P187-D262 WeakPolarHBondContact CD-O 3.25Å; D262-A264 PolarHBondContact O-N 3.42Å; D262-L267 VanDerWaalsContact O-CD1 3.25Å; D262-L267 WeakPolarHBondContact O-CD1 3.37Å; D262-F292 CarbonylContact C-O 3.55Å
263	E	89.8	Confident	88.4	Confident	10 Å²	10	38.6 Å²	38.6	5%	0.047	18%	0.183	C	C	.	.	S	Bend	trans	48.7	47.3	-174.7	-64.4	-88.4	-151.2	0	0	111.7	P187 L191 D265 K266 L267 F292	P187-E263 HydrophobicContact CG-CB 3.75Å; L191-E263 HydrophobicContact CD2-CB 4.31Å; L191-E263 HydrophobicContact CD2-CG 3.56Å; E263-D265 PolarHBondContact O-N 3.28Å; E263-D265 VanDerWaalsContact O-N 3.09Å; E263-K266 HydrophobicContact CB-CD 4.19Å; E263-K266 WeakPolarHBondContact O-CA 3.28Å; E263-K266 WeakPolarHBondContact O-CB 3.5Å; E263-K266 PolarHBondContact O-N 3.13Å; E263-K266 IonicContact OE1-NZ 3.45Å; E263-K266 PolarHBondContact OE1-NZ 3Å; E263-K266 IonicContact OE2-NZ 3.11Å; E263-K266 PolarHBondContact OE2-NZ 3.23Å; E263-L267 PolarHBondContact O-N 3.07Å; E263-L267 VanDerWaalsContact O-N 3.16Å; E263-F292 PolarHBondContact N-O 2.86Å
264	A	91	Very high	88	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.5	-31.2	-170.3	0	0	0	0	0	114	D262 K266 L267 L268 L291 F292 L303	D262-A264 PolarHBondContact O-N 3.42Å; A264-K266 PolarHBondContact O-N 3.14Å; A264-L267 PolarHBondContact O-N 3.11Å; A264-L268 WeakPolarHBondContact O-CG 3.35Å; A264-L268 PolarHBondContact O-N 3.42Å; A264-L291 HydrophobicContact CB-CD1 4.23Å; A264-L291 HydrophobicContact CB-CD2 3.56Å; A264-L291 HydrophobicContact CB-CG 3.71Å; A264-F292 PolarHBondContact N-O 3Å; A264-L303 HydrophobicContact CB-CD2 4.19Å
265	D	87.1	Confident	87.9	Confident	3 Å²	3	38 Å²	38	2%	0.016	18%	0.179	C	C	.	.	H	α-helix	trans	-67.2	-13.7	175.9	65.8	-53.1	0	0	0	114.1	E263 S293 T295 V300 K460 H464	E263-D265 PolarHBondContact O-N 3.28Å; E263-D265 VanDerWaalsContact O-N 3.09Å; D265-S293 VanDerWaalsContact CB-OG 3.24Å; D265-S293 WeakPolarHBondContact CB-OG 3.36Å; D265-S293 PolarHBondContact OD1-OG 2.97Å; D265-T295 PolarHBondContact OD2-OG1 2.89Å; D265-V300 HydrophobicContact CB-CG2 3.61Å; D265-K460 VanDerWaalsContact CB-NZ 3.31Å; D265-K460 WeakPolarHBondContact OD2-CE 3.34Å; D265-K460 IonicContact OD2-NZ 3.58Å; D265-K460 PolarHBondContact OD2-NZ 2.65Å; D265-H464 IonicContact OD2-CE1 2.65Å
266	K	82.8	Confident	87.8	Confident	10 Å²	10	35.1 Å²	35.1	4%	0.043	17%	0.166	C	C	.	.	H	α-helix	trans	-102.8	-31.3	171.5	-59.4	176.9	-174.5	139.4	0	112.2	P187 E263 A264 L268 D269 F272	P187-K266 HydrophobicContact CB-CB 4.06Å; P187-K266 HydrophobicContact CG-CB 4.06Å; P187-K266 HydrophobicContact CG-CD 4.39Å; E263-K266 HydrophobicContact CB-CD 4.19Å; E263-K266 WeakPolarHBondContact O-CA 3.28Å; E263-K266 WeakPolarHBondContact O-CB 3.5Å; E263-K266 PolarHBondContact O-N 3.13Å; E263-K266 IonicContact OE1-NZ 3.45Å; E263-K266 PolarHBondContact OE1-NZ 3Å; E263-K266 IonicContact OE2-NZ 3.11Å; E263-K266 PolarHBondContact OE2-NZ 3.23Å; A264-K266 PolarHBondContact O-N 3.14Å; K266-L268 PolarHBondContact O-N 3.07Å; K266-L268 VanDerWaalsContact O-N 3.11Å; K266-D269 PolarHBondContact O-N 3.46Å; K266-D269 VanDerWaalsContact O-N 3.11Å; K266-F272 WeakPolarHBondContact O-CD2 3.28Å
267	L	87.2	Confident	87.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.5	-15.4	171	-69.4	179.3	0	0	0	112.7	I185 P187 P238 L261 D262 E263 A264 F272 I276	I185-L267 HydrophobicContact CG2-CD1 4.26Å; I185-L267 HydrophobicContact CG2-CD2 4.03Å; P187-L267 HydrophobicContact CB-CD2 3.78Å; P187-L267 HydrophobicContact CB-CG 4.36Å; P187-L267 HydrophobicContact CG-CD2 4.36Å; P238-L267 HydrophobicContact CG-CD2 4.04Å; L261-L267 HydrophobicContact CB-CD1 4.09Å; L261-L267 HydrophobicContact CD2-CD1 4.44Å; D262-L267 VanDerWaalsContact O-CD1 3.25Å; D262-L267 WeakPolarHBondContact O-CD1 3.37Å; E263-L267 PolarHBondContact O-N 3.07Å; E263-L267 VanDerWaalsContact O-N 3.16Å; A264-L267 PolarHBondContact O-N 3.11Å; L267-F272 CarbonylContact O-C 3.55Å; L267-F272 WeakPolarHBondContact O-CB 3.44Å; L267-I276 HydrophobicContact CB-CD1 4.41Å; L267-I276 HydrophobicContact CB-CG1 4.22Å; L267-I276 HydrophobicContact CD1-CD1 4.35Å; L267-I276 HydrophobicContact CD2-CD1 4.15Å
268	L	83.3	Confident	87.3	Confident	31 Å²	31	37 Å²	37	16%	0.162	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	9.1	178.5	-63.4	172.4	0	0	0	114.1	A264 K266 A273 S299 V300 L303	A264-L268 WeakPolarHBondContact O-CG 3.35Å; A264-L268 PolarHBondContact O-N 3.42Å; K266-L268 PolarHBondContact O-N 3.07Å; K266-L268 VanDerWaalsContact O-N 3.11Å; L268-A273 HydrophobicContact CD2-CB 4.37Å; L268-S299 WeakPolarHBondContact CD1-O 3.18Å; L268-V300 HydrophobicContact CD1-CB 4.36Å; L268-V300 HydrophobicContact CD1-CG2 3.9Å; L268-L303 HydrophobicContact CD1-CB 3.56Å; L268-L303 HydrophobicContact CD1-CD2 3.71Å; L268-L303 HydrophobicContact CD1-CG 4.24Å; L268-L303 HydrophobicContact CD2-CB 3.99Å; L268-L303 HydrophobicContact CD2-CD1 4.24Å; L268-L303 HydrophobicContact CD2-CD2 3.86Å; L268-L303 HydrophobicContact CD2-CG 4.23Å; L268-L303 HydrophobicContact CG-CB 4.27Å; L268-L303 HydrophobicContact CG-CD2 3.82Å
269	D	77.1	Confident	87.1	Confident	59 Å²	59	36.5 Å²	36.5	32%	0.316	18%	0.182	S	C	.	.	S	Bend	trans	-56.4	147.8	164.1	-77	-7.2	0	0	0	108.2	K266 Y271 F272 A273 R440	K266-D269 PolarHBondContact O-N 3.46Å; K266-D269 VanDerWaalsContact O-N 3.11Å; D269-Y271 PolarHBondContact O-N 3.04Å; D269-F272 HydrophobicContact CB-CD2 4.28Å; D269-F272 PolarHBondContact O-N 3.4Å; D269-A273 PolarHBondContact O-N 2.99Å; D269-R440 IonicContact OD2-NH1 3.05Å; D269-R440 PolarHBondContact OD2-NH1 3.16Å; D269-R440 VanDerWaalsContact OD2-NH1 3.12Å
270	E	66.5	Low	86.8	Confident	178 Å²	178	37.8 Å²	37.8	83%	0.832	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48	-25.9	-169.1	-67.2	-178	172.6	0	0	115
271	Y	73.2	Confident	86.5	Confident	184 Å²	184	44.8 Å²	44.8	72%	0.722	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-26.3	180	-58.5	-73.8	0	0	0	115	D269 Q275	D269-Y271 PolarHBondContact O-N 3.04Å; Y271-Q275 PolarHBondContact O-NE2 3.49Å
272	F	80.3	Confident	86.3	Confident	57 Å²	57	49 Å²	49	25%	0.25	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-23.2	-169.7	-62.4	-58.7	0	0	0	113.7	K266 L267 D269 E274 Q275 I276	K266-F272 WeakPolarHBondContact O-CD2 3.28Å; L267-F272 CarbonylContact O-C 3.55Å; L267-F272 WeakPolarHBondContact O-CB 3.44Å; D269-F272 HydrophobicContact CB-CD2 4.28Å; D269-F272 PolarHBondContact O-N 3.4Å; F272-E274 VanDerWaalsContact C-N 3.32Å; F272-E274 PolarHBondContact O-N 2.84Å; F272-Q275 WeakPolarHBondContact O-CA 3.42Å; F272-Q275 WeakPolarHBondContact O-CB 3.45Å; F272-Q275 PolarHBondContact O-N 3.37Å; F272-I276 WeakPolarHBondContact O-CG1 3.38Å; F272-I276 PolarHBondContact O-N 3.17Å
273	A	83.5	Confident	86.2	Confident	41 Å²	41	49.1 Å²	49.1	34%	0.339	24%	0.239	S	C	.	.	H	α-helix	trans	-54.7	-44.9	-176.3	0	0	0	0	0	112.9	L268 D269 Q275 I276 G277	L268-A273 HydrophobicContact CD2-CB 4.37Å; D269-A273 PolarHBondContact O-N 2.99Å; A273-Q275 VanDerWaalsContact C-N 3.33Å; A273-Q275 PolarHBondContact O-N 2.97Å; A273-I276 PolarHBondContact O-N 2.99Å; A273-G277 PolarHBondContact O-N 3.07Å
274	E	86.1	Confident	86.3	Confident	102 Å²	102	50.2 Å²	50.2	48%	0.477	25%	0.247	S	C	.	.	H	α-helix	trans	-62.7	-38.7	176	-68.8	-178.1	176.8	0	0	112.2	F272 G277 E278 K579	F272-E274 VanDerWaalsContact C-N 3.32Å; F272-E274 PolarHBondContact O-N 2.84Å; E274-G277 PolarHBondContact O-N 2.97Å; E274-E278 PolarHBondContact O-N 2.9Å; E274-E278 VanDerWaalsContact O-N 3.07Å; E274-K579 WeakPolarHBondContact OE1-CE 3.46Å; E274-K579 IonicContact OE1-NZ 3.76Å; E274-K579 PolarHBondContact OE1-NZ 3.29Å; E274-K579 IonicContact OE2-NZ 2.75Å; E274-K579 PolarHBondContact OE2-NZ 3.32Å
275	Q	90.6	Very high	86.2	Confident	18 Å²	18	54.6 Å²	54.6	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-42.2	-179.7	-61.1	174.8	41	0	0	110.8	P238 G239 I242 Y271 F272 A273 E278 I279 W571	P238-Q275 HydrophobicContact CB-CB 3.92Å; G239-Q275 VanDerWaalsContact CA-OE1 3.3Å; G239-Q275 VanDerWaalsContact N-OE1 3.07Å; I242-Q275 HydrophobicContact CD1-CB 3.61Å; I242-Q275 HydrophobicContact CD1-CG 3.95Å; Y271-Q275 PolarHBondContact O-NE2 3.49Å; F272-Q275 WeakPolarHBondContact O-CA 3.42Å; F272-Q275 WeakPolarHBondContact O-CB 3.45Å; F272-Q275 PolarHBondContact O-N 3.37Å; A273-Q275 VanDerWaalsContact C-N 3.33Å; A273-Q275 PolarHBondContact O-N 2.97Å; Q275-E278 PolarHBondContact O-N 3.07Å; Q275-I279 WeakPolarHBondContact O-CD1 3.05Å; Q275-I279 VanDerWaalsContact O-CG1 3.29Å; Q275-I279 WeakPolarHBondContact O-CG1 3.33Å; Q275-I279 PolarHBondContact O-N 3.06Å; Q275-W571 HydrophobicContact CG-CH2 4.05Å; Q275-W571 HydrophobicContact CG-CZ3 4.08Å
276	I	91.5	Very high	86.3	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-45.1	176.3	-65.5	-59.8	0	0	0	111.3	I185 P238 L267 F272 A273 E278 I279 I280 L303	I185-I276 HydrophobicContact CD1-CD1 4.32Å; I185-I276 HydrophobicContact CG2-CD1 3.77Å; P238-I276 HydrophobicContact CB-CD1 4.26Å; P238-I276 HydrophobicContact CG-CD1 3.79Å; L267-I276 HydrophobicContact CB-CD1 4.41Å; L267-I276 HydrophobicContact CB-CG1 4.22Å; L267-I276 HydrophobicContact CD1-CD1 4.35Å; L267-I276 HydrophobicContact CD2-CD1 4.15Å; F272-I276 WeakPolarHBondContact O-CG1 3.38Å; F272-I276 PolarHBondContact O-N 3.17Å; A273-I276 PolarHBondContact O-N 2.99Å; I276-E278 PolarHBondContact O-N 3.21Å; I276-I279 HydrophobicContact CD1-CD1 4.45Å; I276-I279 PolarHBondContact O-N 3.43Å; I276-I280 HydrophobicContact CG2-CD1 3.67Å; I276-I280 HydrophobicContact CG2-CG1 4.33Å; I276-I280 WeakPolarHBondContact O-CB 3.5Å; I276-I280 VanDerWaalsContact O-CG1 3.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.15Å; I276-I280 PolarHBondContact O-N 3.44Å; I276-L303 HydrophobicContact CG2-CD1 3.89Å
277	G	89.1	Confident	86.9	Confident	34 Å²	34	63.5 Å²	63.5	35%	0.351	31%	0.312	S	S	.	.	H	α-helix	trans	-57.2	-37.1	175.1	0	0	0	0	0	112.3	A273 E274 K281	A273-G277 PolarHBondContact O-N 3.07Å; E274-G277 PolarHBondContact O-N 2.97Å; G277-K281 WeakPolarHBondContact O-CG 3.36Å
278	E	89.8	Confident	87.4	Confident	33 Å²	33	63.7 Å²	63.7	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-70.8	-46.4	176.2	-163.2	70.6	170.6	0	0	112.7	I242 E274 Q275 I276 I280 K281 F282 W571	I242-E278 HydrophobicContact CD1-CB 4.48Å; E274-E278 PolarHBondContact O-N 2.9Å; E274-E278 VanDerWaalsContact O-N 3.07Å; Q275-E278 PolarHBondContact O-N 3.07Å; I276-E278 PolarHBondContact O-N 3.21Å; E278-I280 VanDerWaalsContact C-N 3.29Å; E278-I280 PolarHBondContact O-N 3.01Å; E278-K281 WeakPolarHBondContact O-CB 3.46Å; E278-K281 PolarHBondContact O-N 3.14Å; E278-K281 VanDerWaalsContact O-N 3.09Å; E278-K281 IonicContact OE2-NZ 2.73Å; E278-K281 PolarHBondContact OE2-NZ 3.4Å; E278-F282 HydrophobicContact CG-CD2 4.44Å; E278-F282 HydrophobicContact CG-CE2 3.98Å; E278-F282 WeakPolarHBondContact O-CD2 3.47Å; E278-F282 PolarHBondContact O-N 2.8Å; E278-W571 HydrophobicContact CB-CZ2 4.41Å; E278-W571 HydrophobicContact CG-CZ2 4.35Å
279	I	93.4	Very high	88	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-41.7	178.6	-66.5	159	0	0	0	111	L183 I185 P238 L241 I242 L253 Q275 I276 K281 F282 C283	L183-I279 HydrophobicContact CD2-CG2 4.02Å; I185-I279 HydrophobicContact CD1-CB 4.39Å; I185-I279 HydrophobicContact CD1-CD1 4.27Å; I185-I279 HydrophobicContact CD1-CG2 3.61Å; P238-I279 HydrophobicContact CB-CD1 3.75Å; L241-I279 HydrophobicContact CD2-CD1 4.07Å; L241-I279 HydrophobicContact CD2-CG1 4.17Å; L241-I279 HydrophobicContact CD2-CG2 3.82Å; I242-I279 HydrophobicContact CD1-CD1 4.32Å; I242-I279 HydrophobicContact CD1-CG1 4.18Å; I242-I279 HydrophobicContact CG1-CD1 4.14Å; I242-I279 HydrophobicContact CG1-CG1 3.77Å; L253-I279 HydrophobicContact CD1-CG2 4.08Å; Q275-I279 WeakPolarHBondContact O-CD1 3.05Å; Q275-I279 VanDerWaalsContact O-CG1 3.29Å; Q275-I279 WeakPolarHBondContact O-CG1 3.33Å; Q275-I279 PolarHBondContact O-N 3.06Å; I276-I279 HydrophobicContact CD1-CD1 4.45Å; I276-I279 PolarHBondContact O-N 3.43Å; I279-K281 PolarHBondContact O-N 3.46Å; I279-F282 PolarHBondContact O-N 3.08Å; I279-C283 PolarHBondContact O-N 3.48Å; I279-C283 PolarHBondContact O-SG 2.77Å; I279-C283 VanDerWaalsContact O-SG 3.39Å
280	I	92.2	Very high	89	Confident	27 Å²	27	59.6 Å²	59.6	14%	0.138	29%	0.292	C	S	.	.	H	α-helix	trans	-59.5	-33	178.4	-72.2	168.5	0	0	0	111.8	L259 I276 E278 C283 L303	L259-I280 HydrophobicContact CD2-CG1 4.46Å; I276-I280 HydrophobicContact CG2-CD1 3.67Å; I276-I280 HydrophobicContact CG2-CG1 4.33Å; I276-I280 WeakPolarHBondContact O-CB 3.5Å; I276-I280 VanDerWaalsContact O-CG1 3.28Å; I276-I280 WeakPolarHBondContact O-CG1 3.15Å; I276-I280 PolarHBondContact O-N 3.44Å; E278-I280 VanDerWaalsContact C-N 3.29Å; E278-I280 PolarHBondContact O-N 3.01Å; I280-C283 PolarHBondContact O-N 3.41Å; I280-L303 HydrophobicContact CD1-CD1 4.12Å
281	K	90.8	Very high	90.4	Very high	148 Å²	148	51.1 Å²	51.1	64%	0.643	25%	0.252	S	S	*	.	H	α-helix	trans	-69.4	-32.6	176.2	-65.5	169.4	-165.2	166.1	0	112.8	G277 E278 I279 C283	G277-K281 WeakPolarHBondContact O-CG 3.36Å; E278-K281 WeakPolarHBondContact O-CB 3.46Å; E278-K281 PolarHBondContact O-N 3.14Å; E278-K281 VanDerWaalsContact O-N 3.09Å; E278-K281 IonicContact OE2-NZ 2.73Å; E278-K281 PolarHBondContact OE2-NZ 3.4Å; I279-K281 PolarHBondContact O-N 3.46Å; K281-C283 VanDerWaalsContact C-N 3.32Å
282	F	91.9	Very high	91.4	Very high	88 Å²	88	42.4 Å²	42.4	39%	0.386	22%	0.218	S	C	.	.	H	α-helix	trans	-75	-23.3	175.7	-75.4	-72.8	0	0	0	112.6	L245 L253 E278 I279	L245-F282 HydrophobicContact CD1-CB 4.23Å; L245-F282 HydrophobicContact CD1-CD2 3.86Å; L245-F282 HydrophobicContact CD1-CE2 4.42Å; L245-F282 HydrophobicContact CD1-CG 4.06Å; L253-F282 CarbonylContact C-O 3.6Å; L253-F282 VanDerWaalsContact C-O 3.29Å; L253-F282 HydrophobicContact CB-CB 4.28Å; L253-F282 WeakPolarHBondContact CB-O 3.45Å; L253-F282 HydrophobicContact CD1-CB 4.19Å; E278-F282 HydrophobicContact CG-CD2 4.44Å; E278-F282 HydrophobicContact CG-CE2 3.98Å; E278-F282 WeakPolarHBondContact O-CD2 3.47Å; E278-F282 PolarHBondContact O-N 2.8Å; I279-F282 PolarHBondContact O-N 3.08Å
283	C	93.8	Very high	91.9	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.047	21%	0.206	C	C	.	.	S	Bend	trans	-77.7	145.5	178.2	-65.6	0	0	0	0	112.7	L253 I279 I280 K281 T285	L253-C283 WeakPolarHBondContact O-CA 3.29Å; I279-C283 PolarHBondContact O-N 3.48Å; I279-C283 PolarHBondContact O-SG 2.77Å; I279-C283 VanDerWaalsContact O-SG 3.39Å; I280-C283 PolarHBondContact O-N 3.41Å; K281-C283 VanDerWaalsContact C-N 3.32Å; C283-T285 PolarHBondContact O-N 3.42Å
284	S	91.2	Very high	91.8	Very high	33 Å²	33	38.7 Å²	38.7	23%	0.231	20%	0.198	C	C	.	.			trans	-51.1	138.3	169.2	-175	0	0	0	0	111.8	L253 Q254 I256 K286 R287	L253-S284 PolarHBondContact O-N 3.22Å; Q254-S284 VanDerWaalsContact O-CB 3.31Å; Q254-S284 WeakPolarHBondContact O-CB 3.33Å; I256-S284 VanDerWaalsContact O-CB 3.32Å; I256-S284 WeakPolarHBondContact O-CB 3.36Å; S284-K286 VanDerWaalsContact C-N 3.35Å; S284-K286 PolarHBondContact OG-N 2.86Å; S284-R287 WeakPolarHBondContact O-CD 3.48Å; S284-R287 WeakPolarHBondContact O-CG 3.36Å; S284-R287 PolarHBondContact O-NH1 2.81Å
285	T	88.1	Confident	91.5	Very high	93 Å²	93	35.6 Å²	35.6	57%	0.571	19%	0.186	S	C	*	.	S	Bend	trans	-71.4	-32.3	173.5	65.6	0	0	0	0	111.5	C283 R287 R309	C283-T285 PolarHBondContact O-N 3.42Å; T285-R287 PolarHBondContact O-N 2.92Å; T285-R287 VanDerWaalsContact O-N 3.1Å; T285-R309 PolarHBondContact O-NH1 3.4Å; T285-R309 PolarHBondContact O-NH2 3.18Å
286	K	90.6	Very high	91.1	Very high	174 Å²	174	37.1 Å²	37.1	76%	0.757	19%	0.193	S	C	*	.	S	Bend	trans	-84.5	77.4	177.7	-65.7	-176.8	-178.7	179.8	0	110.2	S284	S284-K286 VanDerWaalsContact C-N 3.35Å; S284-K286 PolarHBondContact OG-N 2.86Å
287	R	95	Very high	90.7	Very high	25 Å²	25	39 Å²	39	9%	0.094	21%	0.205	C	C	.	.	S	Bend	trans	-140.9	158.1	-179.5	66.6	179.2	-174.6	-94.9	-6	111	I256 E257 S284 T285 T289	I256-R287 WeakPolarHBondContact O-CB 3.21Å; E257-R287 CarbonylContact O-C 3.52Å; E257-R287 WeakPolarHBondContact O-CA 3.43Å; E257-R287 WeakPolarHBondContact O-CB 3.47Å; S284-R287 WeakPolarHBondContact O-CD 3.48Å; S284-R287 WeakPolarHBondContact O-CG 3.36Å; S284-R287 PolarHBondContact O-NH1 2.81Å; T285-R287 PolarHBondContact O-N 2.92Å; T285-R287 VanDerWaalsContact O-N 3.1Å; R287-T289 PolarHBondContact NE-OG1 2.96Å
288	Q	96.8	Very high	90.4	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	130.9	162.3	-179.5	-179.4	25	0	0	109.1	A140 H143 R144 D145 E257 Y258 L259 L290	A140-Q288 PolarHBondContact O-NE2 2.83Å; H143-Q288 PolarHBondContact ND1-OE1 3.17Å; R144-Q288 PolarHBondContact O-NE2 2.99Å; D145-Q288 VanDerWaalsContact OD1-CA 3.27Å; D145-Q288 WeakPolarHBondContact OD1-CA 3.37Å; E257-Q288 PolarHBondContact O-N 2.81Å; Y258-Q288 WeakPolarHBondContact CA-O 3.32Å; Y258-Q288 HydrophobicContact CD1-CB 4.2Å; L259-Q288 PolarHBondContact N-O 2.85Å; Q288-L290 HydrophobicContact CG-CD2 4.12Å
289	T	97.4	Very high	90.2	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	129.5	176.4	-51.3	0	0	0	0	110.8	D145 I146 L259 L261 R287 S307 L308	D145-T289 VanDerWaalsContact CA-O 3.27Å; D145-T289 WeakPolarHBondContact CA-O 3.36Å; D145-T289 WeakPolarHBondContact CB-O 3.4Å; D145-T289 PolarHBondContact OD1-N 3.42Å; I146-T289 PolarHBondContact N-O 3.18Å; L259-T289 HydrophobicContact CB-CG2 4.2Å; L259-T289 HydrophobicContact CD2-CG2 4.01Å; L259-T289 HydrophobicContact CG-CG2 4.1Å; L259-T289 CarbonylContact O-C 3.53Å; L259-T289 VanDerWaalsContact O-CA 3.28Å; L259-T289 WeakPolarHBondContact O-CA 3.48Å; L261-T289 HydrophobicContact CD1-CG2 4.45Å; R287-T289 PolarHBondContact NE-OG1 2.96Å; T289-S307 PolarHBondContact OG1-O 3.26Å; T289-L308 VanDerWaalsContact CB-CD2 3.46Å; T289-L308 HydrophobicContact CG2-CD2 3.38Å; T289-L308 WeakPolarHBondContact O-CD2 3.29Å
290	L	97.7	Very high	89.9	Confident	3 Å²	3	43.3 Å²	43.3	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	111.5	178.5	-53.4	179.8	0	0	0	109.5	A140 I146 F160 V164 L259 V260 L261 Q288 F292	A140-L290 HydrophobicContact CB-CD1 4.47Å; A140-L290 HydrophobicContact CB-CD2 4.35Å; I146-L290 HydrophobicContact CB-CD2 3.85Å; I146-L290 HydrophobicContact CD1-CD2 4.06Å; I146-L290 HydrophobicContact CG1-CD2 3.84Å; F160-L290 HydrophobicContact CB-CD1 4.1Å; V164-L290 HydrophobicContact CG2-CD1 4.23Å; L259-L290 PolarHBondContact O-N 2.84Å; V260-L290 CarbonylContact C-O 3.51Å; V260-L290 WeakPolarHBondContact CA-O 3.34Å; V260-L290 HydrophobicContact CG2-CB 4.29Å; V260-L290 HydrophobicContact CG2-CD1 4.26Å; L261-L290 PolarHBondContact N-O 2.75Å; Q288-L290 HydrophobicContact CG-CD2 4.12Å; L290-F292 HydrophobicContact CB-CD2 4.31Å; L290-F292 HydrophobicContact CB-CE2 3.92Å
291	L	96.1	Very high	89.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	121.3	178.9	-172.3	162.1	0	0	0	109.5	I146 A148 A264 V300 L303 A304 L308	I146-L291 PolarHBondContact O-N 3.2Å; A148-L291 PolarHBondContact N-O 3.07Å; A264-L291 HydrophobicContact CB-CD1 4.23Å; A264-L291 HydrophobicContact CB-CD2 3.56Å; A264-L291 HydrophobicContact CB-CG 3.71Å; L291-V300 HydrophobicContact CD2-CG1 3.94Å; L291-L303 HydrophobicContact CD1-CD2 4.07Å; L291-L303 HydrophobicContact CD1-CG 4.14Å; L291-A304 HydrophobicContact CD1-CB 4.13Å; L291-L308 HydrophobicContact CB-CD1 4.05Å; L291-L308 HydrophobicContact CB-CD2 4.18Å; L291-L308 HydrophobicContact CD1-CD1 4.36Å
292	F	94.5	Very high	89.4	Confident	1 Å²	1	44 Å²	44	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	132.4	177.7	-78.3	-96.3	0	0	0	110.8	I132 C136 A148 K156 A159 F160 L261 D262 E263 A264 L290	I132-F292 HydrophobicContact CG1-CE1 4.48Å; C136-F292 HydrophobicContact CB-CZ 4.21Å; A148-F292 HydrophobicContact CB-CD1 3.5Å; A148-F292 HydrophobicContact CB-CE1 3.43Å; A148-F292 VanDerWaalsContact CB-CE1 3.43Å; A148-F292 HydrophobicContact CB-CE2 4.47Å; A148-F292 HydrophobicContact CB-CG 4.12Å; A148-F292 HydrophobicContact CB-CZ 3.96Å; A148-F292 WeakPolarHBondContact O-CA 3.47Å; K156-F292 HydrophobicContact CB-CD1 3.9Å; K156-F292 HydrophobicContact CB-CE1 4.41Å; K156-F292 HydrophobicContact CD-CB 4.26Å; K156-F292 HydrophobicContact CD-CD1 3.91Å; K156-F292 HydrophobicContact CG-CD1 4.01Å; A159-F292 HydrophobicContact CB-CE1 4.03Å; A159-F292 HydrophobicContact CB-CZ 4.18Å; F160-F292 HydrophobicContact CB-CD2 4.08Å; F160-F292 HydrophobicContact CB-CE2 3.53Å; F160-F292 HydrophobicContact CB-CZ 4.01Å; F160-F292 AromaticContact CD1-CD2 3.89Å; F160-F292 HydrophobicContact CD1-CD2 3.89Å; F160-F292 HydrophobicContact CD1-CE2 4.09Å; F160-F292 HydrophobicContact CD1-CG 4.16Å; F160-F292 HydrophobicContact CD1-CZ 4.5Å; F160-F292 HydrophobicContact CG-CD2 4.42Å; F160-F292 HydrophobicContact CG-CE2 4.3Å; L261-F292 PolarHBondContact O-N 2.67Å; D262-F292 CarbonylContact C-O 3.55Å; E263-F292 PolarHBondContact N-O 2.86Å; A264-F292 PolarHBondContact N-O 3Å; L290-F292 HydrophobicContact CB-CD2 4.31Å; L290-F292 HydrophobicContact CB-CE2 3.92Å
293	S	89.5	Confident	89.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	159.8	175.9	-177	0	0	0	0	112.7	A148 C149 A150 D265 T295	A148-S293 PolarHBondContact O-N 3.45Å; C149-S293 WeakPolarHBondContact CA-O 3.42Å; A150-S293 PolarHBondContact N-O 3.34Å; D265-S293 VanDerWaalsContact CB-OG 3.24Å; D265-S293 WeakPolarHBondContact CB-OG 3.36Å; D265-S293 PolarHBondContact OD1-OG 2.97Å; S293-T295 PolarHBondContact OG-N 3.47Å; S293-T295 VanDerWaalsContact OG-N 3.1Å; S293-T295 PolarHBondContact OG-O 3.25Å
294	A	82.8	Confident	88.9	Confident	20 Å²	20	40 Å²	40	17%	0.165	21%	0.207	C	C	.	.	S	Bend	trans	-80.8	-28.4	167.2	0	0	0	0	0	112.8	A150 T152	A150-A294 WeakPolarHBondContact O-CA 3.44Å; T152-A294 HydrophobicContact CG2-CB 4.38Å
295	T	79.5	Confident	88.6	Confident	36 Å²	36	42.7 Å²	42.7	22%	0.221	22%	0.218	C	C	.	.	S	Bend	trans	-139.5	140.2	-173.3	61.9	0	0	0	0	112.1	D265 S293 T297 K460	D265-T295 PolarHBondContact OD2-OG1 2.89Å; S293-T295 PolarHBondContact OG-N 3.47Å; S293-T295 VanDerWaalsContact OG-N 3.1Å; S293-T295 PolarHBondContact OG-O 3.25Å; T295-T297 PolarHBondContact O-N 3.02Å; T295-K460 HydrophobicContact CG2-CD 4.22Å; T295-K460 HydrophobicContact CG2-CG 4.12Å; T295-K460 WeakPolarHBondContact OG1-CE 3.4Å; T295-K460 PolarHBondContact OG1-NZ 3.36Å
296	M	81.2	Confident	88.5	Confident	50 Å²	50	45 Å²	45	25%	0.246	23%	0.226	C	C	.	.			trans	-90	96.5	172.1	-75.6	-57.7	-85.9	0	0	110.4	C149 V300 K301 F315	C149-M296 HydrophobicContact CB-CG 4.12Å; C149-M296 WeakPolarHBondContact SG-CG 3.31Å; C149-M296 PolarHBondContact SG-SD 2.81Å; M296-V300 HydrophobicContact SD-CG1 3.83Å; M296-K301 HydrophobicContact CE-CG 3.93Å; M296-F315 HydrophobicContact CE-CE1 4.13Å; M296-F315 HydrophobicContact CE-CZ 3.7Å; M296-F315 HydrophobicContact CG-CE1 4.03Å; M296-F315 HydrophobicContact CG-CZ 3.92Å; M296-F315 HydrophobicContact SD-CE1 4.14Å; M296-F315 HydrophobicContact SD-CZ 4.2Å
297	T	82.9	Confident	88.4	Confident	40 Å²	40	37 Å²	37	25%	0.245	19%	0.192	C	C	.	.			trans	-93	163.7	169.3	60.3	0	0	0	0	110.6	T295 S299 V300 K301	T295-T297 PolarHBondContact O-N 3.02Å; T297-S299 VanDerWaalsContact C-N 3.29Å; T297-S299 PolarHBondContact O-N 2.72Å; T297-S299 PolarHBondContact OG1-OG 3.14Å; T297-V300 WeakPolarHBondContact O-CB 3.26Å; T297-V300 PolarHBondContact O-N 2.87Å; T297-V300 VanDerWaalsContact O-N 3.08Å; T297-V300 VanDerWaalsContact OG1-CG2 3.23Å; T297-V300 WeakPolarHBondContact OG1-CG2 3.22Å; T297-V300 PolarHBondContact OG1-N 2.8Å; T297-K301 PolarHBondContact O-N 2.95Å; T297-K301 VanDerWaalsContact O-N 3.09Å
298	E	83.9	Confident	88.2	Confident	115 Å²	115	36.5 Å²	36.5	54%	0.537	19%	0.191	S	C	.	.	H	α-helix	trans	-60.4	-40.9	176.6	-162.9	57.2	-150	0	0	111.7	V300 K301 E302	E298-V300 VanDerWaalsContact C-N 3.3Å; E298-V300 PolarHBondContact O-N 3.05Å; E298-K301 WeakPolarHBondContact O-CB 3.39Å; E298-K301 PolarHBondContact O-N 3.11Å; E298-K301 WeakPolarHBondContact OE2-CD 3.42Å; E298-K301 IonicContact OE2-NZ 3.96Å; E298-K301 PolarHBondContact OE2-NZ 2.79Å; E298-E302 PolarHBondContact O-N 2.88Å
299	S	85.2	Confident	87.9	Confident	43 Å²	43	42.8 Å²	42.8	30%	0.301	22%	0.215	S	C	.	.	H	α-helix	trans	-57.2	-40.2	172.4	54.4	0	0	0	0	113	L268 T297 K301 E302 L303	L268-S299 WeakPolarHBondContact CD1-O 3.18Å; T297-S299 VanDerWaalsContact C-N 3.29Å; T297-S299 PolarHBondContact O-N 2.72Å; T297-S299 PolarHBondContact OG1-OG 3.14Å; S299-K301 VanDerWaalsContact C-N 3.32Å; S299-K301 PolarHBondContact O-N 3.44Å; S299-E302 WeakPolarHBondContact O-CB 3.37Å; S299-E302 PolarHBondContact O-N 3.24Å; S299-L303 PolarHBondContact O-N 2.86Å
300	V	87.2	Confident	87.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-66.4	-36.5	177	172.6	0	0	0	0	111.3	D265 L268 L291 M296 T297 E298 L303 A304	D265-V300 HydrophobicContact CB-CG2 3.61Å; L268-V300 HydrophobicContact CD1-CB 4.36Å; L268-V300 HydrophobicContact CD1-CG2 3.9Å; L291-V300 HydrophobicContact CD2-CG1 3.94Å; M296-V300 HydrophobicContact SD-CG1 3.83Å; T297-V300 WeakPolarHBondContact O-CB 3.26Å; T297-V300 PolarHBondContact O-N 2.87Å; T297-V300 VanDerWaalsContact O-N 3.08Å; T297-V300 VanDerWaalsContact OG1-CG2 3.23Å; T297-V300 WeakPolarHBondContact OG1-CG2 3.22Å; T297-V300 PolarHBondContact OG1-N 2.8Å; E298-V300 VanDerWaalsContact C-N 3.3Å; E298-V300 PolarHBondContact O-N 3.05Å; V300-L303 PolarHBondContact O-N 3.04Å; V300-A304 WeakPolarHBondContact O-CB 3.47Å; V300-A304 PolarHBondContact O-N 3.36Å
301	K	86.6	Confident	87.4	Confident	77 Å²	77	47.3 Å²	47.3	34%	0.335	24%	0.239	S	C	.	.	H	α-helix	trans	-64.5	-43.3	172.7	-61.8	178.8	-165.9	161.1	0	111.1	M296 T297 E298 S299 L303 A304 I305	M296-K301 HydrophobicContact CE-CG 3.93Å; T297-K301 PolarHBondContact O-N 2.95Å; T297-K301 VanDerWaalsContact O-N 3.09Å; E298-K301 WeakPolarHBondContact O-CB 3.39Å; E298-K301 PolarHBondContact O-N 3.11Å; E298-K301 WeakPolarHBondContact OE2-CD 3.42Å; E298-K301 IonicContact OE2-NZ 3.96Å; E298-K301 PolarHBondContact OE2-NZ 2.79Å; S299-K301 VanDerWaalsContact C-N 3.32Å; S299-K301 PolarHBondContact O-N 3.44Å; K301-L303 PolarHBondContact O-N 2.76Å; K301-A304 WeakPolarHBondContact O-CB 3.24Å; K301-A304 PolarHBondContact O-N 2.86Å; K301-I305 VanDerWaalsContact O-CG1 3.28Å; K301-I305 WeakPolarHBondContact O-CG1 3.25Å; K301-I305 PolarHBondContact O-N 2.85Å
302	E	86.3	Confident	87.2	Confident	112 Å²	112	47.5 Å²	47.5	52%	0.523	24%	0.241	S	C	.	.	H	α-helix	trans	-59.7	-44.9	175	-69.3	174.8	176.6	0	0	111.6	E298 S299 A304 I305 L306	E298-E302 PolarHBondContact O-N 2.88Å; S299-E302 WeakPolarHBondContact O-CB 3.37Å; S299-E302 PolarHBondContact O-N 3.24Å; E302-A304 VanDerWaalsContact C-N 3.33Å; E302-A304 PolarHBondContact O-N 3.45Å; E302-I305 WeakPolarHBondContact O-CB 3.48Å; E302-I305 PolarHBondContact O-N 3.48Å; E302-L306 WeakPolarHBondContact O-CG 3.43Å; E302-L306 PolarHBondContact O-N 3.05Å
303	L	86.8	Confident	87	Confident	9 Å²	9	48.6 Å²	48.6	5%	0.047	25%	0.246	C	C	.	.	H	α-helix	trans	-62.1	-41.2	174.5	178.1	64.3	0	0	0	111.9	L261 A264 L268 I276 I280 L291 S299 V300 K301 I305 L306 S307	L261-L303 HydrophobicContact CD1-CD1 4.35Å; L261-L303 HydrophobicContact CD1-CD2 4.08Å; L261-L303 HydrophobicContact CD1-CG 4.35Å; A264-L303 HydrophobicContact CB-CD2 4.19Å; L268-L303 HydrophobicContact CD1-CB 3.56Å; L268-L303 HydrophobicContact CD1-CD2 3.71Å; L268-L303 HydrophobicContact CD1-CG 4.24Å; L268-L303 HydrophobicContact CD2-CB 3.99Å; L268-L303 HydrophobicContact CD2-CD1 4.24Å; L268-L303 HydrophobicContact CD2-CD2 3.86Å; L268-L303 HydrophobicContact CD2-CG 4.23Å; L268-L303 HydrophobicContact CG-CB 4.27Å; L268-L303 HydrophobicContact CG-CD2 3.82Å; I276-L303 HydrophobicContact CG2-CD1 3.89Å; I280-L303 HydrophobicContact CD1-CD1 4.12Å; L291-L303 HydrophobicContact CD1-CD2 4.07Å; L291-L303 HydrophobicContact CD1-CG 4.14Å; S299-L303 PolarHBondContact O-N 2.86Å; V300-L303 PolarHBondContact O-N 3.04Å; K301-L303 PolarHBondContact O-N 2.76Å; L303-I305 VanDerWaalsContact C-N 3.28Å; L303-I305 PolarHBondContact O-N 3.04Å; L303-L306 PolarHBondContact O-N 3.38Å; L303-S307 VanDerWaalsContact O-CB 3.31Å; L303-S307 WeakPolarHBondContact O-CB 3.37Å; L303-S307 PolarHBondContact O-N 3.05Å; L303-S307 PolarHBondContact O-OG 3.32Å
304	A	87.8	Confident	86.9	Confident	3 Å²	3	48.6 Å²	48.6	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-41.8	175.8	0	0	0	0	0	110.8	L291 V300 K301 E302 L308	L291-A304 HydrophobicContact CD1-CB 4.13Å; V300-A304 WeakPolarHBondContact O-CB 3.47Å; V300-A304 PolarHBondContact O-N 3.36Å; K301-A304 WeakPolarHBondContact O-CB 3.24Å; K301-A304 PolarHBondContact O-N 2.86Å; E302-A304 VanDerWaalsContact C-N 3.33Å; E302-A304 PolarHBondContact O-N 3.45Å; A304-L308 HydrophobicContact CB-CD1 3.81Å; A304-L308 HydrophobicContact CB-CG 4.41Å; A304-L308 WeakPolarHBondContact O-CB 3.29Å; A304-L308 WeakPolarHBondContact O-CG 3.29Å; A304-L308 PolarHBondContact O-N 3.26Å
305	I	85.7	Confident	87	Confident	90 Å²	90	50.6 Å²	50.6	46%	0.462	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-41.4	176.6	-66.5	162	0	0	0	111.5	F93 K301 E302 L303	F93-I305 HydrophobicContact CD2-CD1 4.19Å; F93-I305 HydrophobicContact CD2-CG1 4.15Å; F93-I305 HydrophobicContact CE2-CG1 4.13Å; F93-I305 HydrophobicContact CG-CD1 4.42Å; F93-I305 HydrophobicContact CG-CG1 4.48Å; F93-I305 HydrophobicContact CZ-CG1 4.43Å; K301-I305 VanDerWaalsContact O-CG1 3.28Å; K301-I305 WeakPolarHBondContact O-CG1 3.25Å; K301-I305 PolarHBondContact O-N 2.85Å; E302-I305 WeakPolarHBondContact O-CB 3.48Å; E302-I305 PolarHBondContact O-N 3.48Å; L303-I305 VanDerWaalsContact C-N 3.28Å; L303-I305 PolarHBondContact O-N 3.04Å
306	L	85.7	Confident	86.8	Confident	141 Å²	141	50.1 Å²	50.1	74%	0.738	25%	0.247	S	C	*	.	H	α-helix	trans	-76.1	-27.6	-177.7	-68.7	175.2	0	0	0	113.7	E302 L303	E302-L306 WeakPolarHBondContact O-CG 3.43Å; E302-L306 PolarHBondContact O-N 3.05Å; L303-L306 PolarHBondContact O-N 3.38Å
307	S	87.1	Confident	85.9	Confident	6 Å²	6	54 Å²	54	4%	0.042	27%	0.268	C	S	.	.	H	α-helix	trans	-113.1	-24.7	-167.9	65.5	0	0	0	0	115.3	T289 L303	T289-S307 PolarHBondContact OG1-O 3.26Å; L303-S307 VanDerWaalsContact O-CB 3.31Å; L303-S307 WeakPolarHBondContact O-CB 3.37Å; L303-S307 PolarHBondContact O-N 3.05Å; L303-S307 PolarHBondContact O-OG 3.32Å
308	L	91.5	Very high	84.6	Confident	15 Å²	15	56.2 Å²	56.2	8%	0.079	28%	0.276	C	S	.	.			trans	-105.6	154.3	-174.1	-51.2	179.1	0	0	0	112.5	D145 C147 T289 L291 A304 P311	D145-L308 HydrophobicContact CB-CB 4.32Å; D145-L308 HydrophobicContact CB-CD2 4.39Å; D145-L308 VanDerWaalsContact OD2-CA 3.3Å; D145-L308 WeakPolarHBondContact OD2-CA 3.37Å; C147-L308 HydrophobicContact CB-CD1 3.86Å; T289-L308 VanDerWaalsContact CB-CD2 3.46Å; T289-L308 HydrophobicContact CG2-CD2 3.38Å; T289-L308 WeakPolarHBondContact O-CD2 3.29Å; L291-L308 HydrophobicContact CB-CD1 4.05Å; L291-L308 HydrophobicContact CB-CD2 4.18Å; L291-L308 HydrophobicContact CD1-CD1 4.36Å; A304-L308 HydrophobicContact CB-CD1 3.81Å; A304-L308 HydrophobicContact CB-CG 4.41Å; A304-L308 WeakPolarHBondContact O-CB 3.29Å; A304-L308 WeakPolarHBondContact O-CG 3.29Å; A304-L308 PolarHBondContact O-N 3.26Å; L308-P311 HydrophobicContact CB-CB 3.88Å; L308-P311 HydrophobicContact CB-CG 3.87Å; L308-P311 HydrophobicContact CD1-CB 3.62Å; L308-P311 HydrophobicContact CD1-CG 3.95Å; L308-P311 HydrophobicContact CG-CB 4.33Å
309	R	91.5	Very high	83	Confident	136 Å²	136	54.3 Å²	54.3	51%	0.513	28%	0.28	S	S	.	.	S	Bend	trans	-123.2	116.4	175.9	-65.9	175.1	173.7	-175.1	-5.2	110.8	D145 T285	D145-R309 WeakPolarHBondContact CB-O 3.24Å; D145-R309 PolarHBondContact OD2-N 3.3Å; T285-R309 PolarHBondContact O-NH1 3.4Å; T285-R309 PolarHBondContact O-NH2 3.18Å
310	D	90.6	Very high	81.5	Confident	87 Å²	87	55.6 Å²	55.6	47%	0.465	29%	0.286	S	S	.	.	S	Bend	trans	41.6	58.3	-174.3	-176.1	45.8	0	0	0	113.5	H97 R144	H97-D310 IonicContact CD2-OD1 3.6Å; H97-D310 IonicContact CD2-OD2 3.59Å; R144-D310 IonicContact CZ-OD2 2.65Å; R144-D310 IonicContact NH2-OD1 3.63Å; R144-D310 IonicContact NH2-OD2 3.94Å; R144-D310 PolarHBondContact NH2-OD2 3.31Å
311	P	92.7	Very high	80.1	Confident	12 Å²	12	57.8 Å²	57.8	8%	0.078	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-72.1	138.2	-172.6	27.8	-33.3	0	0	0	112.1	F95 D145 C147 L308	F95-P311 HydrophobicContact CD1-CG 3.93Å; F95-P311 HydrophobicContact CE1-CG 3.92Å; D145-P311 HydrophobicContact CB-CB 4.15Å; D145-P311 CarbonylContact O-C 3.56Å; D145-P311 WeakPolarHBondContact O-CA 3.49Å; C147-P311 HydrophobicContact CB-CB 4.39Å; L308-P311 HydrophobicContact CB-CB 3.88Å; L308-P311 HydrophobicContact CB-CG 3.87Å; L308-P311 HydrophobicContact CD1-CB 3.62Å; L308-P311 HydrophobicContact CD1-CG 3.95Å; L308-P311 HydrophobicContact CG-CB 4.33Å
312	V	92.2	Very high	79.1	Confident	4 Å²	4	54.2 Å²	54.2	2%	0.024	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.9	166.7	-179.2	0	0	0	0	109.5	H97 V99 V139 R144 D145 I146 C147 V314	H97-V312 HydrophobicContact CB-CG2 4.42Å; H97-V312 WeakPolarHBondContact O-CA 3.44Å; V99-V312 HydrophobicContact CG2-CG1 3.42Å; V99-V312 VanDerWaalsContact CG2-CG1 3.42Å; V139-V312 HydrophobicContact CG1-CB 3.74Å; V139-V312 HydrophobicContact CG1-CG1 3.89Å; V139-V312 HydrophobicContact CG1-CG2 3.67Å; V139-V312 HydrophobicContact CG2-CG1 4.49Å; R144-V312 HydrophobicContact CB-CG2 4.11Å; R144-V312 VanDerWaalsContact NE-CG2 3.3Å; D145-V312 PolarHBondContact O-N 3.27Å; I146-V312 WeakPolarHBondContact CA-O 3.39Å; C147-V312 PolarHBondContact N-O 3.12Å; V312-V314 HydrophobicContact CG1-CG2 4.37Å
313	Q	89.4	Confident	78.1	Confident	24 Å²	24	49.5 Å²	49.5	11%	0.112	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	128.8	174.4	-62.9	-165.6	-41.8	0	0	111.3	F95 H97 A98 V99 C147 F315	F95-Q313 HydrophobicContact CB-CG 3.62Å; F95-Q313 HydrophobicContact CD1-CG 3.4Å; F95-Q313 HydrophobicContact CD2-CG 4.32Å; F95-Q313 HydrophobicContact CE1-CG 4.03Å; F95-Q313 HydrophobicContact CG-CG 3.56Å; F95-Q313 VanDerWaalsContact CZ-NE2 3.33Å; H97-Q313 PolarHBondContact O-N 2.79Å; A98-Q313 HydrophobicContact CB-CB 4.19Å; V99-Q313 PolarHBondContact N-O 3.08Å; C147-Q313 WeakPolarHBondContact O-CA 3.45Å; Q313-F315 HydrophobicContact CB-CD1 4.39Å; Q313-F315 HydrophobicContact CB-CE1 4.26Å; Q313-F315 HydrophobicContact CB-CZ 4.34Å; Q313-F315 HydrophobicContact CG-CE1 4.5Å; Q313-F315 HydrophobicContact CG-CZ 4.26Å
314	V	88.8	Confident	77.2	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	94.7	172.9	-176.6	0	0	0	0	108.5	V99 I132 A135 I146 C147 A148 C149 V312 L316	V99-V314 HydrophobicContact CB-CG2 4.17Å; V99-V314 HydrophobicContact CG2-CG2 3.89Å; I132-V314 HydrophobicContact CD1-CG1 3.68Å; A135-V314 HydrophobicContact CB-CG1 3.55Å; I146-V314 HydrophobicContact CG2-CG2 4.05Å; C147-V314 PolarHBondContact O-N 3.22Å; A148-V314 WeakPolarHBondContact CA-O 3.44Å; A148-V314 HydrophobicContact CB-CB 4.27Å; C149-V314 PolarHBondContact N-O 3.03Å; V312-V314 HydrophobicContact CG1-CG2 4.37Å; V314-L316 HydrophobicContact CG1-CD1 4.29Å; V314-L316 HydrophobicContact CG1-CG 4.08Å
315	F	84.6	Confident	76.7	Confident	63 Å²	63	59 Å²	59	28%	0.276	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	94.9	-175.2	-71.9	-5.4	0	0	0	109.5	C149 M296 Q313 Q318	C149-F315 HydrophobicContact CB-CD1 3.86Å; C149-F315 HydrophobicContact CB-CE1 4.1Å; M296-F315 HydrophobicContact CE-CE1 4.13Å; M296-F315 HydrophobicContact CE-CZ 3.7Å; M296-F315 HydrophobicContact CG-CE1 4.03Å; M296-F315 HydrophobicContact CG-CZ 3.92Å; M296-F315 HydrophobicContact SD-CE1 4.14Å; M296-F315 HydrophobicContact SD-CZ 4.2Å; Q313-F315 HydrophobicContact CB-CD1 4.39Å; Q313-F315 HydrophobicContact CB-CE1 4.26Å; Q313-F315 HydrophobicContact CB-CZ 4.34Å; Q313-F315 HydrophobicContact CG-CE1 4.5Å; Q313-F315 HydrophobicContact CG-CZ 4.26Å; F315-Q318 HydrophobicContact CB-CG 3.86Å; F315-Q318 VanDerWaalsContact CD2-CD 3.41Å; F315-Q318 VanDerWaalsContact CE1-NE2 3.26Å; F315-Q318 HydrophobicContact CG-CG 4.19Å
316	L	75.7	Confident	76.6	Confident	25 Å²	25	54.9 Å²	54.9	13%	0.131	30%	0.299	C	S	.	.			trans	-109.1	121.7	180	-62.7	-177.9	0	0	0	109.9	Y102 P131 I132 A135 C149 V314 Q318	Y102-L316 HydrophobicContact CD1-CD2 3.94Å; Y102-L316 HydrophobicContact CE1-CD1 4.35Å; Y102-L316 HydrophobicContact CE1-CD2 3.58Å; P131-L316 HydrophobicContact CB-CD1 4.04Å; I132-L316 VanDerWaalsContact CA-CD1 3.45Å; I132-L316 HydrophobicContact CB-CD1 3.96Å; I132-L316 HydrophobicContact CD1-CD1 3.77Å; I132-L316 HydrophobicContact CD1-CG 4.26Å; I132-L316 HydrophobicContact CG1-CD1 4.49Å; A135-L316 HydrophobicContact CB-CD1 4.08Å; C149-L316 PolarHBondContact O-N 3.44Å; C149-L316 VanDerWaalsContact O-N 3.07Å; V314-L316 HydrophobicContact CG1-CD1 4.29Å; V314-L316 HydrophobicContact CG1-CG 4.08Å; L316-Q318 PolarHBondContact O-N 3.27Å
317	N	61.8	Low	76.7	Confident	131 Å²	131	52.9 Å²	52.9	70%	0.701	29%	0.285	S	S	*	.	S	Bend	trans	50.3	51.9	178.3	-62.7	-12.2	0	0	0	112.7	A319	N317-A319 VanDerWaalsContact C-N 3.29Å; N317-A319 PolarHBondContact O-N 3.17Å
318	Q	55.6	Low	76.9	Confident	87 Å²	87	53 Å²	53	41%	0.407	29%	0.285	S	S	.	.			trans	-74.8	-10.8	179.6	-80.1	-167.7	-31.7	0	0	115.2	C149 F315 L316 T320	C149-Q318 HydrophobicContact CB-CG 4.15Å; F315-Q318 HydrophobicContact CB-CG 3.86Å; F315-Q318 VanDerWaalsContact CD2-CD 3.41Å; F315-Q318 VanDerWaalsContact CE1-NE2 3.26Å; F315-Q318 HydrophobicContact CG-CG 4.19Å; L316-Q318 PolarHBondContact O-N 3.27Å; Q318-T320 PolarHBondContact O-N 3.27Å
319	A	50.5	Low	77	Confident	75 Å²	75	53.2 Å²	53.2	62%	0.62	29%	0.285	S	S	*	.	S	Bend	trans	-57.9	137.6	170.5	0	0	0	0	0	106.9	N317 A321	N317-A319 VanDerWaalsContact C-N 3.29Å; N317-A319 PolarHBondContact O-N 3.17Å; A319-A321 HydrophobicContact CB-CB 4.3Å; A319-A321 PolarHBondContact O-N 3.1Å
320	T	52.6	Low	77.1	Confident	71 Å²	71	47 Å²	47	44%	0.436	26%	0.263	S	S	.	.			trans	-58	18.2	176.8	-30.2	0	0	0	0	113.4	Q318 V322 M459 V463 Q496	Q318-T320 PolarHBondContact O-N 3.27Å; T320-V322 PolarHBondContact O-N 3.1Å; T320-V322 VanDerWaalsContact O-N 3.09Å; T320-M459 HydrophobicContact CG2-CE 4.37Å; T320-M459 HydrophobicContact CG2-CG 3.91Å; T320-V463 HydrophobicContact CG2-CG2 4.23Å; T320-V463 WeakPolarHBondContact O-CG2 3.29Å; T320-Q496 VanDerWaalsContact CB-OE1 3.28Å; T320-Q496 VanDerWaalsContact CG2-OE1 3.26Å
321	A	58.3	Low	77.3	Confident	45 Å²	45	43.1 Å²	43.1	37%	0.372	24%	0.242	S	C	.	.			trans	-63.3	103.5	179.1	0	0	0	0	0	109.8	A319	A319-A321 HydrophobicContact CB-CB 4.3Å; A319-A321 PolarHBondContact O-N 3.1Å
322	V	65.2	Low	77.4	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.018	27%	0.27	C	S	.	.			trans	-23.8	137.5	137.9	-176.5	0	0	0	0	111.5	T320 Q324 L326 Q328 M459 Y462 V463 V466	T320-V322 PolarHBondContact O-N 3.1Å; T320-V322 VanDerWaalsContact O-N 3.09Å; V322-Q324 PolarHBondContact O-N 2.8Å; V322-L326 HydrophobicContact CG1-CB 3.78Å; V322-L326 HydrophobicContact CG1-CD2 3.14Å; V322-L326 HydrophobicContact CG1-CG 4.04Å; V322-Q328 HydrophobicContact CG1-CG 4.35Å; V322-M459 HydrophobicContact CG2-CE 4.46Å; V322-Y462 HydrophobicContact CG2-CE1 4.13Å; V322-V463 HydrophobicContact CG2-CG2 4.5Å; V322-V466 HydrophobicContact CG1-CG2 4.2Å; V322-V466 HydrophobicContact CG2-CG2 4.43Å
323	A	65.4	Low	77.4	Confident	13 Å²	13	51.2 Å²	51.2	11%	0.107	27%	0.27	C	S	.	.			trans	-52.3	141.3	-178.8	0	0	0	0	0	112	C325 L326 A470	A323-C325 VanDerWaalsContact C-N 3.28Å; A323-C325 PolarHBondContact O-N 2.68Å; A323-L326 HydrophobicContact CB-CB 4.43Å; A323-L326 VanDerWaalsContact O-CB 3.28Å; A323-L326 WeakPolarHBondContact O-CB 3.38Å; A323-L326 PolarHBondContact O-N 2.7Å; A323-L326 VanDerWaalsContact O-N 3.09Å; A323-A470 HydrophobicContact CB-CB 3.74Å; A323-A470 VanDerWaalsContact CB-O 3.3Å; A323-A470 WeakPolarHBondContact CB-O 3.4Å
324	Q	67.9	Low	77.5	Confident	142 Å²	142	57.6 Å²	57.6	66%	0.664	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.9	-174.6	-72.9	174.2	-36.4	0	0	112.7	V322 L326 Y499	V322-Q324 PolarHBondContact O-N 2.8Å; Q324-L326 VanDerWaalsContact C-N 3.26Å; Q324-L326 PolarHBondContact O-N 3.24Å; Q324-Y499 HydrophobicContact CB-CE2 4.16Å; Q324-Y499 WeakPolarHBondContact O-CD2 3.31Å; Q324-Y499 WeakPolarHBondContact O-CE2 3.47Å
325	C	77.1	Confident	77.5	Confident	69 Å²	69	60.6 Å²	60.6	47%	0.466	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	27.8	179.5	-53.1	0	0	0	0	113.5	A323 G476	A323-C325 VanDerWaalsContact C-N 3.28Å; A323-C325 PolarHBondContact O-N 2.68Å; C325-G476 PolarHBondContact O-N 3.42Å; C325-G476 VanDerWaalsContact O-N 3.12Å
326	L	83.9	Confident	77.9	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.7	177.8	-170.3	79.4	0	0	0	111.7	V322 A323 Q324 Q328 V466 T469 A470 G476 A478	V322-L326 HydrophobicContact CG1-CB 3.78Å; V322-L326 HydrophobicContact CG1-CD2 3.14Å; V322-L326 HydrophobicContact CG1-CG 4.04Å; A323-L326 HydrophobicContact CB-CB 4.43Å; A323-L326 VanDerWaalsContact O-CB 3.28Å; A323-L326 WeakPolarHBondContact O-CB 3.38Å; A323-L326 PolarHBondContact O-N 2.7Å; A323-L326 VanDerWaalsContact O-N 3.09Å; Q324-L326 VanDerWaalsContact C-N 3.26Å; Q324-L326 PolarHBondContact O-N 3.24Å; L326-Q328 HydrophobicContact CD2-CG 3.63Å; L326-Q328 HydrophobicContact CG-CG 4.12Å; L326-Q328 PolarHBondContact O-N 3.16Å; L326-V466 HydrophobicContact CD2-CB 3.64Å; L326-V466 HydrophobicContact CD2-CG1 4.36Å; L326-V466 HydrophobicContact CD2-CG2 3.74Å; L326-T469 HydrophobicContact CD1-CG2 3.36Å; L326-A470 HydrophobicContact CB-CB 3.93Å; L326-A470 HydrophobicContact CD1-CB 3.69Å; L326-A470 HydrophobicContact CG-CB 4.45Å; L326-G476 WeakPolarHBondContact CA-O 3.4Å; L326-A478 HydrophobicContact CD1-CB 4.04Å; L326-A478 HydrophobicContact CD2-CB 3.79Å; L326-A478 HydrophobicContact CG-CB 4.17Å
327	H	88.1	Confident	78.6	Confident	99 Å²	99	67.5 Å²	67.5	46%	0.458	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	113.1	168.4	-65.9	-176.5	0	0	0	109.5	G476 R477 A478	H327-G476 PolarHBondContact N-O 3.48Å; H327-R477 HydrophobicContact CB-CG 4.32Å; H327-R477 CarbonylContact O-C 3.58Å; H327-R477 WeakPolarHBondContact O-CA 3.23Å; H327-A478 PolarHBondContact O-N 3.4Å
328	Q	90.9	Very high	80	Confident	8 Å²	8	64 Å²	64	4%	0.037	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135	179.7	-66.6	172.4	90.8	0	0	110	V322 L326 Y462 V501 K502	V322-Q328 HydrophobicContact CG1-CG 4.35Å; L326-Q328 HydrophobicContact CD2-CG 3.63Å; L326-Q328 HydrophobicContact CG-CG 4.12Å; L326-Q328 PolarHBondContact O-N 3.16Å; Q328-Y462 PolarHBondContact OE1-OH 3.17Å; Q328-V501 HydrophobicContact CB-CB 4.35Å; Q328-V501 HydrophobicContact CB-CG1 3.59Å; Q328-V501 HydrophobicContact CB-CG2 4.13Å; Q328-V501 WeakPolarHBondContact O-CG1 3.24Å; Q328-K502 PolarHBondContact O-N 3.13Å
329	E	93.7	Very high	81.7	Confident	19 Å²	19	65.7 Å²	65.7	9%	0.089	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.1	178.7	-59	178.6	-178	0	0	110.1	A478 V479 S480 K502 R504	E329-A478 PolarHBondContact N-O 3.3Å; E329-V479 HydrophobicContact CB-CG1 4.46Å; E329-V479 HydrophobicContact CB-CG2 4.23Å; E329-V479 CarbonylContact O-C 3.57Å; E329-V479 WeakPolarHBondContact O-CA 3.44Å; E329-S480 PolarHBondContact O-N 3.43Å; E329-K502 CarbonylContact C-O 3.58Å; E329-K502 VanDerWaalsContact CA-O 3.25Å; E329-K502 WeakPolarHBondContact CA-O 3.4Å; E329-K502 HydrophobicContact CG-CB 4.41Å; E329-R504 VanDerWaalsContact CD-NH2 3.27Å; E329-R504 IonicContact OE1-NH2 4Å; E329-R504 PolarHBondContact OE1-NH2 3.15Å; E329-R504 IonicContact OE2-CZ 3.65Å; E329-R504 IonicContact OE2-NE 3.73Å; E329-R504 PolarHBondContact OE2-NE 3.19Å; E329-R504 IonicContact OE2-NH2 2.95Å; E329-R504 PolarHBondContact OE2-NH2 3.4Å
330	F	94.8	Very high	83.8	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130.1	173.9	-71	-61.5	0	0	0	111.2	L455 S480 V482 M490 I493 M494 V501 K502 A503 R504	F330-L455 HydrophobicContact CE1-CD1 4.12Å; F330-S480 WeakPolarHBondContact CA-O 3.49Å; F330-V482 HydrophobicContact CB-CG2 4.15Å; F330-V482 HydrophobicContact CD1-CG2 3.32Å; F330-V482 HydrophobicContact CE1-CG2 4Å; F330-V482 HydrophobicContact CG-CG2 4.02Å; F330-M490 HydrophobicContact CB-CE 3.91Å; F330-M490 HydrophobicContact CD1-CG 4.47Å; F330-M490 HydrophobicContact CD2-CE 3.66Å; F330-M490 HydrophobicContact CD2-CG 4.26Å; F330-M490 HydrophobicContact CE1-CG 4.32Å; F330-M490 HydrophobicContact CE2-CE 4.32Å; F330-M490 HydrophobicContact CE2-CG 4.08Å; F330-M490 HydrophobicContact CG-CE 3.84Å; F330-M490 HydrophobicContact CG-CG 4.47Å; F330-M490 HydrophobicContact CZ-CG 4.14Å; F330-I493 HydrophobicContact CZ-CB 4.34Å; F330-I493 HydrophobicContact CZ-CD1 4.38Å; F330-I493 HydrophobicContact CZ-CG2 3.91Å; F330-M494 HydrophobicContact CE2-CG 3.93Å; F330-V501 HydrophobicContact CD2-CB 4.13Å; F330-V501 HydrophobicContact CD2-CG1 3.22Å; F330-V501 HydrophobicContact CE2-CB 4Å; F330-V501 HydrophobicContact CE2-CG1 3.29Å; F330-V501 HydrophobicContact CE2-CG2 4.2Å; F330-V501 HydrophobicContact CG-CG1 4.21Å; F330-V501 HydrophobicContact CZ-CG1 4.3Å; F330-K502 PolarHBondContact N-O 3.46Å; F330-A503 WeakPolarHBondContact O-CA 3.39Å; F330-R504 PolarHBondContact O-N 3.17Å
331	V	94.8	Very high	85.8	Confident	5 Å²	5	60.9 Å²	60.9	3%	0.03	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.1	169.4	-177.9	0	0	0	0	107.4	I344 L348 V479 S480 L481 V482 R504 I506	V331-I344 HydrophobicContact CG1-CD1 4.42Å; V331-I344 HydrophobicContact CG1-CG2 4.08Å; V331-L348 HydrophobicContact CG2-CD1 4.48Å; V331-V479 HydrophobicContact CG2-CG1 3.86Å; V331-S480 PolarHBondContact N-O 2.96Å; V331-L481 HydrophobicContact CB-CD1 4.5Å; V331-L481 HydrophobicContact CB-CG 4.38Å; V331-L481 WeakPolarHBondContact O-CA 3.24Å; V331-V482 PolarHBondContact O-N 3.29Å; V331-R504 HydrophobicContact CG2-CB 3.91Å; V331-R504 HydrophobicContact CG2-CG 4.1Å; V331-I506 HydrophobicContact CG1-CD1 4.1Å; V331-I506 HydrophobicContact CG2-CD1 4.42Å
332	R	93.6	Very high	87.6	Confident	180 Å²	180	62.1 Å²	62.1	68%	0.679	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.1	179.2	-179.1	178	175.4	174.6	-2.1	110.2	R487	R332-R487 VanDerWaalsContact NH2-NH2 3.15Å
333	I	93.5	Very high	89.1	Confident	5 Å²	5	62 Å²	62	3%	0.026	29%	0.286	C	S	.	.			trans	-111.1	141.5	177.8	-57.5	-179.7	0	0	0	108.6	R337 R341 I344 L481 V482	I333-R337 VanDerWaalsContact CG2-O 3.26Å; I333-R337 WeakPolarHBondContact CG2-O 3.35Å; I333-R341 HydrophobicContact CD1-CB 4.34Å; I333-R341 HydrophobicContact CD1-CG 3.34Å; I333-I344 HydrophobicContact CD1-CD1 3.77Å; I333-I344 HydrophobicContact CG1-CD1 3.89Å; I333-L481 HydrophobicContact CD1-CB 3.87Å; I333-L481 HydrophobicContact CD1-CD2 3.77Å; I333-L481 HydrophobicContact CD1-CG 3.9Å; I333-V482 PolarHBondContact N-O 3.31Å
334	R	91.6	Very high	90.5	Very high	158 Å²	158	61.7 Å²	61.7	60%	0.596	28%	0.283	S	S	*	.			trans	-90.3	149.6	178	-60.8	-176.6	-179.9	-172.7	-1.7	109	H336 R337 E338	R334-H336 VanDerWaalsContact C-N 3.32Å; R334-H336 PolarHBondContact O-N 2.87Å; R334-R337 HydrophobicContact CB-CB 4.47Å; R334-R337 CarbonylContact O-C 3.47Å; R334-R337 WeakPolarHBondContact O-CA 3.45Å; R334-R337 PolarHBondContact O-N 3.02Å; R334-E338 PolarHBondContact O-N 2.89Å
335	P	89.2	Confident	91.9	Very high	63 Å²	63	55.1 Å²	55.1	41%	0.409	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-52.6	-43.6	-178.1	-31.1	36	0	0	0	115.3	R337 E338 E484	P335-R337 PolarHBondContact O-N 3.42Å; P335-R337 VanDerWaalsContact O-N 3.16Å; P335-E338 WeakPolarHBondContact O-CG 3.17Å; P335-E338 PolarHBondContact O-N 3.36Å; P335-E484 WeakPolarHBondContact CD-OE1 3.25Å; P335-E484 HydrophobicContact CG-CB 4.42Å; P335-E484 HydrophobicContact CG-CG 3.44Å; P335-E484 VanDerWaalsContact CG-CG 3.44Å; P335-E484 VanDerWaalsContact CG-OE1 3.22Å; P335-E484 WeakPolarHBondContact CG-OE1 3.41Å; P335-E484 WeakPolarHBondContact CG-OE2 3.2Å
336	H	92	Very high	92.8	Very high	132 Å²	132	51.9 Å²	51.9	61%	0.611	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-76.4	3	-178.9	59.4	-87.8	0	0	0	112.9	R334	R334-H336 VanDerWaalsContact C-N 3.32Å; R334-H336 PolarHBondContact O-N 2.87Å
337	R	91.2	Very high	93.3	Very high	102 Å²	102	51.8 Å²	51.8	39%	0.385	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-131.3	23.2	-178	-71.8	-175.9	-173.1	-140.4	0.6	111.6	I333 R334 P335 D339 D340	I333-R337 VanDerWaalsContact CG2-O 3.26Å; I333-R337 WeakPolarHBondContact CG2-O 3.35Å; R334-R337 HydrophobicContact CB-CB 4.47Å; R334-R337 CarbonylContact O-C 3.47Å; R334-R337 WeakPolarHBondContact O-CA 3.45Å; R334-R337 PolarHBondContact O-N 3.02Å; P335-R337 PolarHBondContact O-N 3.42Å; P335-R337 VanDerWaalsContact O-N 3.16Å; R337-D339 PolarHBondContact O-N 3.34Å; R337-D340 HydrophobicContact CB-CB 4.38Å; R337-D340 WeakPolarHBondContact CB-OD2 3.35Å; R337-D340 WeakPolarHBondContact CD-OD2 3.48Å; R337-D340 WeakPolarHBondContact CG-OD2 3.41Å; R337-D340 VanDerWaalsContact O-CB 3.28Å; R337-D340 WeakPolarHBondContact O-CB 3.05Å; R337-D340 PolarHBondContact O-N 3.44Å
338	E	90.9	Very high	93.7	Very high	56 Å²	56	47.2 Å²	47.2	26%	0.262	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-28	176.3	-71.8	-70.8	150.2	0	0	111.7	R334 P335 D340 R341 G483	R334-E338 PolarHBondContact O-N 2.89Å; P335-E338 WeakPolarHBondContact O-CG 3.17Å; P335-E338 PolarHBondContact O-N 3.36Å; E338-D340 PolarHBondContact O-N 3Å; E338-R341 WeakPolarHBondContact O-CB 3.33Å; E338-R341 WeakPolarHBondContact O-CG 3.32Å; E338-R341 PolarHBondContact O-N 2.91Å; E338-R341 IonicContact OE1-NH2 3.57Å; E338-R341 IonicContact OE2-CZ 3.75Å; E338-R341 IonicContact OE2-NE 2.64Å; E338-R341 PolarHBondContact OE2-NE 3.28Å; E338-R341 IonicContact OE2-NH2 2.68Å; E338-R341 PolarHBondContact OE2-NH2 2.84Å; E338-G483 WeakPolarHBondContact OE1-CA 3.5Å
339	D	91.7	Very high	93.9	Very high	124 Å²	124	46.8 Å²	46.8	66%	0.663	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-22.4	173.7	-66	-38.1	0	0	0	113.5	R337 R341	R337-D339 PolarHBondContact O-N 3.34Å; D339-R341 PolarHBondContact O-N 3.27Å
340	D	93.9	Very high	93.9	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.139	21%	0.212	C	C	.	.	H	α-helix	trans	-70	-11.4	176.8	-66	-11.6	0	0	0	111.9	R337 E338 R342 A343 I344 I511	R337-D340 HydrophobicContact CB-CB 4.38Å; R337-D340 WeakPolarHBondContact CB-OD2 3.35Å; R337-D340 WeakPolarHBondContact CD-OD2 3.48Å; R337-D340 WeakPolarHBondContact CG-OD2 3.41Å; R337-D340 VanDerWaalsContact O-CB 3.28Å; R337-D340 WeakPolarHBondContact O-CB 3.05Å; R337-D340 PolarHBondContact O-N 3.44Å; E338-D340 PolarHBondContact O-N 3Å; D340-R342 PolarHBondContact O-N 2.76Å; D340-A343 PolarHBondContact O-N 2.81Å; D340-A343 VanDerWaalsContact O-N 3.16Å; D340-I344 HydrophobicContact CB-CD1 4.22Å; D340-I344 WeakPolarHBondContact O-CB 2.97Å; D340-I344 VanDerWaalsContact O-CG1 3.3Å; D340-I344 WeakPolarHBondContact O-CG1 3.12Å; D340-I344 PolarHBondContact O-N 3.08Å; D340-I511 HydrophobicContact CB-CG2 3.7Å
341	R	95.1	Very high	93.8	Very high	18 Å²	18	53.3 Å²	53.3	7%	0.068	23%	0.233	C	C	.	.	H	α-helix	trans	-50.8	-44.4	179.6	-83	-176	-173.4	-113.6	4.7	112.6	I333 E338 D339 I344 V345 Y453 T454 L481 D486	I333-R341 HydrophobicContact CD1-CB 4.34Å; I333-R341 HydrophobicContact CD1-CG 3.34Å; E338-R341 WeakPolarHBondContact O-CB 3.33Å; E338-R341 WeakPolarHBondContact O-CG 3.32Å; E338-R341 PolarHBondContact O-N 2.91Å; E338-R341 IonicContact OE1-NH2 3.57Å; E338-R341 IonicContact OE2-CZ 3.75Å; E338-R341 IonicContact OE2-NE 2.64Å; E338-R341 PolarHBondContact OE2-NE 3.28Å; E338-R341 IonicContact OE2-NH2 2.68Å; E338-R341 PolarHBondContact OE2-NH2 2.84Å; D339-R341 PolarHBondContact O-N 3.27Å; R341-I344 PolarHBondContact O-N 3.34Å; R341-V345 WeakPolarHBondContact O-CG2 3.39Å; R341-V345 PolarHBondContact O-N 2.98Å; R341-Y453 HydrophobicContact CB-CE1 4.33Å; R341-Y453 HydrophobicContact CB-CE2 3.89Å; R341-Y453 WeakPolarHBondContact CB-OH 3.39Å; R341-Y453 PolarHBondContact NH1-O 2.99Å; R341-T454 PolarHBondContact NH1-OG1 3.04Å; R341-L481 HydrophobicContact CB-CD2 4.27Å; R341-L481 HydrophobicContact CG-CD2 4.19Å; R341-D486 IonicContact NH2-OD2 3Å
342	R	95.1	Very high	93.7	Very high	72 Å²	72	57.9 Å²	57.9	27%	0.272	25%	0.254	S	S	.	.	H	α-helix	trans	-65.9	-48.4	-178.7	-61.9	-178.4	-172.2	143.6	9	110.7	D340 I344 V345 I346 M370 Y453 I518	D340-R342 PolarHBondContact O-N 2.76Å; R342-I344 VanDerWaalsContact C-N 3.3Å; R342-I344 PolarHBondContact O-N 2.78Å; R342-V345 PolarHBondContact O-N 2.86Å; R342-I346 WeakPolarHBondContact O-CB 3.33Å; R342-I346 VanDerWaalsContact O-CG1 3.3Å; R342-I346 WeakPolarHBondContact O-CG1 3.33Å; R342-I346 PolarHBondContact O-N 2.93Å; R342-M370 HydrophobicContact CB-CE 4.41Å; R342-M370 HydrophobicContact CB-SD 4.48Å; R342-M370 HydrophobicContact CG-SD 4.05Å; R342-Y453 HydrophobicContact CG-CE2 4.13Å; R342-Y453 WeakPolarHBondContact CG-OH 3.45Å; R342-I518 HydrophobicContact CB-CD1 3.98Å
343	A	96	Very high	93.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-41.6	176.2	0	0	0	0	0	112	D340 I346 A347 I511 Q515 I518	D340-A343 PolarHBondContact O-N 2.81Å; D340-A343 VanDerWaalsContact O-N 3.16Å; A343-I346 PolarHBondContact O-N 2.81Å; A343-A347 VanDerWaalsContact O-CB 3.24Å; A343-A347 WeakPolarHBondContact O-CB 3.36Å; A343-A347 PolarHBondContact O-N 2.78Å; A343-I511 HydrophobicContact CB-CG2 4.18Å; A343-Q515 HydrophobicContact CB-CB 4.4Å; A343-I518 HydrophobicContact CB-CD1 3.92Å
344	I	96.3	Very high	93.3	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-51.6	175.6	-74.3	166.3	0	0	0	111.2	V331 I333 D340 R341 R342 I346 A347 L348 L481 I506 I511	V331-I344 HydrophobicContact CG1-CD1 4.42Å; V331-I344 HydrophobicContact CG1-CG2 4.08Å; I333-I344 HydrophobicContact CD1-CD1 3.77Å; I333-I344 HydrophobicContact CG1-CD1 3.89Å; D340-I344 HydrophobicContact CB-CD1 4.22Å; D340-I344 WeakPolarHBondContact O-CB 2.97Å; D340-I344 VanDerWaalsContact O-CG1 3.3Å; D340-I344 WeakPolarHBondContact O-CG1 3.12Å; D340-I344 PolarHBondContact O-N 3.08Å; R341-I344 PolarHBondContact O-N 3.34Å; R342-I344 VanDerWaalsContact C-N 3.3Å; R342-I344 PolarHBondContact O-N 2.78Å; I344-I346 PolarHBondContact O-N 2.91Å; I344-A347 PolarHBondContact O-N 2.87Å; I344-L348 HydrophobicContact CG2-CD1 4.04Å; I344-L348 VanDerWaalsContact O-CG 3.25Å; I344-L348 WeakPolarHBondContact O-CG 3.26Å; I344-L348 PolarHBondContact O-N 3.1Å; I344-L481 HydrophobicContact CB-CD2 4.33Å; I344-L481 HydrophobicContact CG2-CD1 4.18Å; I344-L481 HydrophobicContact CG2-CD2 3.77Å; I344-L481 HydrophobicContact CG2-CG 3.99Å; I344-I506 HydrophobicContact CB-CD1 4.23Å; I344-I506 HydrophobicContact CG1-CD1 4.19Å; I344-I506 HydrophobicContact CG2-CD1 3.52Å; I344-I511 HydrophobicContact CD1-CD1 4.28Å; I344-I511 HydrophobicContact CG1-CD1 4.01Å; I344-I511 HydrophobicContact CG1-CG1 4.09Å
345	V	96.5	Very high	93.2	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.03	24%	0.244	C	C	.	.	H	α-helix	trans	-63.6	-43.6	-178.9	172.1	0	0	0	0	111.1	R341 R342 A347 L348 L349 V359 I451 Y453 L481	R341-V345 WeakPolarHBondContact O-CG2 3.39Å; R341-V345 PolarHBondContact O-N 2.98Å; R342-V345 PolarHBondContact O-N 2.86Å; V345-A347 VanDerWaalsContact C-N 3.35Å; V345-A347 PolarHBondContact O-N 3Å; V345-L348 PolarHBondContact O-N 3.27Å; V345-L349 HydrophobicContact CG1-CD1 3.83Å; V345-L349 HydrophobicContact CG1-CG 4.32Å; V345-L349 VanDerWaalsContact O-CG 3.3Å; V345-L349 WeakPolarHBondContact O-CG 3.45Å; V345-L349 PolarHBondContact O-N 2.73Å; V345-V359 HydrophobicContact CG1-CG1 4.05Å; V345-I451 HydrophobicContact CG2-CG2 4.29Å; V345-Y453 HydrophobicContact CG2-CD2 3.84Å; V345-Y453 HydrophobicContact CG2-CE2 4.47Å; V345-L481 HydrophobicContact CG2-CD1 4.12Å; V345-L481 HydrophobicContact CG2-CD2 3.56Å
346	I	96	Very high	93.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-45.6	176.5	-68.7	174.4	0	0	0	110.5	R342 A343 I344 L348 L349 M350 M370 M373 L374 L377 Y514 I518	R342-I346 WeakPolarHBondContact O-CB 3.33Å; R342-I346 VanDerWaalsContact O-CG1 3.3Å; R342-I346 WeakPolarHBondContact O-CG1 3.33Å; R342-I346 PolarHBondContact O-N 2.93Å; A343-I346 PolarHBondContact O-N 2.81Å; I344-I346 PolarHBondContact O-N 2.91Å; I346-L348 VanDerWaalsContact C-N 3.32Å; I346-L348 PolarHBondContact O-N 3.11Å; I346-L349 PolarHBondContact O-N 3.5Å; I346-M350 HydrophobicContact CG2-CG 4.2Å; I346-M350 HydrophobicContact CG2-SD 3.79Å; I346-M350 VanDerWaalsContact O-CB 3.3Å; I346-M350 WeakPolarHBondContact O-CB 3.37Å; I346-M350 WeakPolarHBondContact O-CG 3.34Å; I346-M350 PolarHBondContact O-N 2.9Å; I346-M370 HydrophobicContact CD1-CE 3.89Å; I346-M370 HydrophobicContact CG1-CE 4.12Å; I346-M373 HydrophobicContact CD1-SD 4.27Å; I346-L374 HydrophobicContact CG1-CD2 3.88Å; I346-L377 HydrophobicContact CD1-CD1 3.9Å; I346-L377 HydrophobicContact CG1-CD1 4.38Å; I346-L377 HydrophobicContact CG2-CD1 3.49Å; I346-L377 VanDerWaalsContact CG2-CD1 3.49Å; I346-Y514 HydrophobicContact CG2-CD1 3.66Å; I346-Y514 HydrophobicContact CG2-CE1 4.02Å; I346-Y514 HydrophobicContact CG2-CG 4.42Å; I346-I518 HydrophobicContact CD1-CD1 3.84Å; I346-I518 HydrophobicContact CD1-CG1 3.78Å
347	A	95.4	Very high	93.4	Very high	3 Å²	3	46.2 Å²	46.2	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-42.4	177	0	0	0	0	0	112.1	A343 I344 V345 R351 V510 Y514	A343-A347 VanDerWaalsContact O-CB 3.24Å; A343-A347 WeakPolarHBondContact O-CB 3.36Å; A343-A347 PolarHBondContact O-N 2.78Å; I344-A347 PolarHBondContact O-N 2.87Å; V345-A347 VanDerWaalsContact C-N 3.35Å; V345-A347 PolarHBondContact O-N 3Å; A347-R351 WeakPolarHBondContact O-CB 3.34Å; A347-R351 VanDerWaalsContact O-CG 3.29Å; A347-R351 WeakPolarHBondContact O-CG 3.37Å; A347-R351 PolarHBondContact O-N 2.88Å; A347-V510 HydrophobicContact CB-CG1 4.11Å; A347-Y514 HydrophobicContact CB-CD2 3.42Å; A347-Y514 VanDerWaalsContact CB-CD2 3.42Å; A347-Y514 HydrophobicContact CB-CE2 3.49Å; A347-Y514 VanDerWaalsContact CB-CE2 3.49Å; A347-Y514 HydrophobicContact CB-CG 4.19Å
348	L	95.6	Very high	93.5	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	18%	0.181	C	C	.	.	H	α-helix	trans	-64.2	-45.6	178.1	-71.7	174.8	0	0	0	111.9	V331 I344 V345 I346 H352 F353 I451 V479 L481 I506	V331-L348 HydrophobicContact CG2-CD1 4.48Å; I344-L348 HydrophobicContact CG2-CD1 4.04Å; I344-L348 VanDerWaalsContact O-CG 3.25Å; I344-L348 WeakPolarHBondContact O-CG 3.26Å; I344-L348 PolarHBondContact O-N 3.1Å; V345-L348 PolarHBondContact O-N 3.27Å; I346-L348 VanDerWaalsContact C-N 3.32Å; I346-L348 PolarHBondContact O-N 3.11Å; L348-H352 PolarHBondContact O-N 2.59Å; L348-F353 HydrophobicContact CB-CD2 4.03Å; L348-F353 HydrophobicContact CB-CE2 4.35Å; L348-F353 HydrophobicContact CD2-CE2 4.13Å; L348-F353 PolarHBondContact O-N 2.9Å; L348-I451 HydrophobicContact CB-CD1 4.35Å; L348-V479 HydrophobicContact CD1-CG1 3.9Å; L348-L481 HydrophobicContact CD1-CD1 4.31Å; L348-I506 HydrophobicContact CD1-CD1 4.36Å; L348-I506 HydrophobicContact CD2-CD1 3.88Å; L348-I506 HydrophobicContact CG-CD1 3.98Å
349	L	95.9	Very high	93.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.3	-47.5	177.8	-68.1	170.5	0	0	0	111.2	V345 I346 R351 F353 R354 T357 V359 L374 L379 I431 I451	V345-L349 HydrophobicContact CG1-CD1 3.83Å; V345-L349 HydrophobicContact CG1-CG 4.32Å; V345-L349 VanDerWaalsContact O-CG 3.3Å; V345-L349 WeakPolarHBondContact O-CG 3.45Å; V345-L349 PolarHBondContact O-N 2.73Å; I346-L349 PolarHBondContact O-N 3.5Å; L349-R351 PolarHBondContact O-N 2.96Å; L349-F353 CarbonylContact O-C 3.59Å; L349-R354 WeakPolarHBondContact O-CG 3.35Å; L349-R354 PolarHBondContact O-N 3Å; L349-T357 HydrophobicContact CD2-CG2 3.66Å; L349-V359 HydrophobicContact CD1-CG2 4.11Å; L349-V359 HydrophobicContact CD2-CG2 3.97Å; L349-L374 HydrophobicContact CD1-CD1 3.68Å; L349-L374 HydrophobicContact CD1-CD2 3.74Å; L349-L374 HydrophobicContact CD1-CG 4.41Å; L349-L379 HydrophobicContact CB-CD1 4.06Å; L349-I431 HydrophobicContact CB-CD1 4.28Å; L349-I431 HydrophobicContact CD1-CD1 4.34Å; L349-I431 HydrophobicContact CD2-CD1 3.95Å; L349-I431 HydrophobicContact CD2-CG1 4.22Å; L349-I431 HydrophobicContact CD2-CG2 4.36Å; L349-I431 HydrophobicContact CG-CD1 4.42Å; L349-I451 HydrophobicContact CD2-CD1 3.72Å; L349-I451 HydrophobicContact CG-CD1 4.19Å
350	M	93.4	Very high	94	Very high	36 Å²	36	33 Å²	33	18%	0.177	14%	0.138	C	C	.	.	H	α-helix	trans	-75	-18.4	-177.8	-71	-170.1	77.1	0	0	113.9	I346 R354 L377 L379 Y514	I346-M350 HydrophobicContact CG2-CG 4.2Å; I346-M350 HydrophobicContact CG2-SD 3.79Å; I346-M350 VanDerWaalsContact O-CB 3.3Å; I346-M350 WeakPolarHBondContact O-CB 3.37Å; I346-M350 WeakPolarHBondContact O-CG 3.34Å; I346-M350 PolarHBondContact O-N 2.9Å; M350-R354 PolarHBondContact O-NE 3.06Å; M350-R354 VanDerWaalsContact O-NE 3.1Å; M350-R354 PolarHBondContact O-NH1 3.34Å; M350-R354 PolarHBondContact O-NH2 3.43Å; M350-L377 HydrophobicContact SD-CB 4.24Å; M350-L377 HydrophobicContact SD-CD1 4.16Å; M350-L379 HydrophobicContact CG-CD1 3.56Å; M350-L379 HydrophobicContact CG-CD2 4.34Å; M350-L379 HydrophobicContact CG-CG 4.15Å; M350-Y514 HydrophobicContact CB-CE1 4.27Å; M350-Y514 HydrophobicContact CE-CE1 4.49Å; M350-Y514 HydrophobicContact CG-CE1 4.44Å; M350-Y514 HydrophobicContact SD-CD1 4.37Å; M350-Y514 HydrophobicContact SD-CE1 3.55Å; M350-Y514 VanDerWaalsContact SD-CE1 3.55Å
351	R	93.1	Very high	94.1	Very high	127 Å²	127	31.8 Å²	31.8	48%	0.479	13%	0.132	S	C	.	.	H	α-helix	trans	-107	-37.8	-179.5	-65.3	172.7	65.2	121	-0.2	113.1	A347 L349 R354	A347-R351 WeakPolarHBondContact O-CB 3.34Å; A347-R351 VanDerWaalsContact O-CG 3.29Å; A347-R351 WeakPolarHBondContact O-CG 3.37Å; A347-R351 PolarHBondContact O-N 2.88Å; L349-R351 PolarHBondContact O-N 2.96Å; R351-R354 PolarHBondContact O-NH1 2.91Å
352	H	92.2	Very high	94	Very high	101 Å²	101	34 Å²	34	47%	0.468	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-38.9	-166.2	-60.2	-66.5	0	0	0	114.1	L348	L348-H352 PolarHBondContact O-N 2.59Å
353	F	92.5	Very high	94	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.022	15%	0.153	C	C	.	.			trans	-118.5	62.2	-168.2	-52.5	-61.3	0	0	0	111.9	L348 L349 T357 T449 I451 V479	L348-F353 HydrophobicContact CB-CD2 4.03Å; L348-F353 HydrophobicContact CB-CE2 4.35Å; L348-F353 HydrophobicContact CD2-CE2 4.13Å; L348-F353 PolarHBondContact O-N 2.9Å; L349-F353 CarbonylContact O-C 3.59Å; F353-T357 HydrophobicContact CB-CG2 4.24Å; F353-T357 PolarHBondContact O-OG1 3.5Å; F353-T449 HydrophobicContact CB-CG2 4.26Å; F353-T449 HydrophobicContact CD1-CG2 3.62Å; F353-T449 WeakPolarHBondContact CD1-OG1 3.28Å; F353-T449 HydrophobicContact CD2-CG2 4.26Å; F353-T449 HydrophobicContact CE1-CG2 3.94Å; F353-T449 HydrophobicContact CG-CG2 3.79Å; F353-T449 HydrophobicContact CZ-CG2 4.39Å; F353-I451 HydrophobicContact CB-CD1 4.4Å; F353-I451 HydrophobicContact CD2-CD1 3.98Å; F353-V479 HydrophobicContact CE2-CG2 3.6Å; F353-V479 HydrophobicContact CZ-CG2 3.63Å
354	R	86.8	Confident	93.8	Very high	137 Å²	137	37.8 Å²	37.8	52%	0.517	17%	0.172	S	C	.	.			trans	-83.7	-10.6	-177.7	-70.3	-172.1	178.4	97.9	-20.6	114.9	L349 M350 R351 D430	L349-R354 WeakPolarHBondContact O-CG 3.35Å; L349-R354 PolarHBondContact O-N 3Å; M350-R354 PolarHBondContact O-NE 3.06Å; M350-R354 VanDerWaalsContact O-NE 3.1Å; M350-R354 PolarHBondContact O-NH1 3.34Å; M350-R354 PolarHBondContact O-NH2 3.43Å; R351-R354 PolarHBondContact O-NH1 2.91Å; R354-D430 WeakPolarHBondContact O-CB 3.19Å
355	K	89.1	Confident	93.8	Very high	127 Å²	127	45.2 Å²	45.2	55%	0.552	20%	0.204	S	C	*	.	S	Bend	trans	-126	141.8	-173.9	-66.6	-172	177.3	-175.9	0	111	T357	K355-T357 VanDerWaalsContact C-N 3.27Å; K355-T357 PolarHBondContact O-N 2.98Å; K355-T357 VanDerWaalsContact O-N 3.11Å; K355-T357 PolarHBondContact O-OG1 2.8Å
356	R	90.3	Very high	93.7	Very high	24 Å²	24	46.8 Å²	46.8	9%	0.091	21%	0.212	C	C	.	.	S	Bend	trans	44.7	48.2	169.7	-55.2	-56	-60.5	-179.1	9.4	114.2	F400 D430 P445 N446 Q448 T449	R356-F400 PolarHBondContact NH1-O 3.09Å; R356-F400 PolarHBondContact NH2-O 2.76Å; R356-D430 CarbonylContact C-O 3.58Å; R356-D430 VanDerWaalsContact CA-O 3.31Å; R356-D430 WeakPolarHBondContact CA-O 3.13Å; R356-D430 PolarHBondContact N-O 3.43Å; R356-P445 PolarHBondContact NH2-O 2.86Å; R356-N446 VanDerWaalsContact CB-O 3.23Å; R356-N446 WeakPolarHBondContact CB-O 3.37Å; R356-N446 WeakPolarHBondContact CG-O 3.3Å; R356-N446 PolarHBondContact NE-O 3.23Å; R356-Q448 HydrophobicContact CB-CB 4.07Å; R356-Q448 HydrophobicContact CB-CG 3.87Å; R356-Q448 HydrophobicContact CG-CG 4.33Å; R356-Q448 PolarHBondContact O-N 2.96Å; R356-T449 PolarHBondContact O-N 2.99Å
357	T	93.9	Very high	93.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.6	-173.1	-63.9	0	0	0	0	111.2	L349 F353 K355 V359 D430 I431 L432 T449 I451	L349-T357 HydrophobicContact CD2-CG2 3.66Å; F353-T357 HydrophobicContact CB-CG2 4.24Å; F353-T357 PolarHBondContact O-OG1 3.5Å; K355-T357 VanDerWaalsContact C-N 3.27Å; K355-T357 PolarHBondContact O-N 2.98Å; K355-T357 VanDerWaalsContact O-N 3.11Å; K355-T357 PolarHBondContact O-OG1 2.8Å; T357-V359 HydrophobicContact CG2-CG2 4.36Å; T357-D430 PolarHBondContact N-O 3.32Å; T357-I431 CarbonylContact O-C 3.55Å; T357-I431 VanDerWaalsContact O-CA 3.29Å; T357-I431 WeakPolarHBondContact O-CA 3.3Å; T357-L432 PolarHBondContact O-N 2.95Å; T357-T449 CarbonylContact C-O 3.55Å; T357-T449 WeakPolarHBondContact CA-O 3.45Å; T357-T449 HydrophobicContact CG2-CG2 4.26Å; T357-I451 HydrophobicContact CG2-CD1 3.83Å; T357-I451 HydrophobicContact CG2-CG1 3.94Å
358	I	94.7	Very high	93.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.7	171.1	-59.8	-177.6	0	0	0	108.6	F360 F400 L432 A434 I444 V447 T449 V450 I451 R468	I358-F360 HydrophobicContact CG2-CD1 4.48Å; I358-F360 HydrophobicContact CG2-CD2 4.39Å; I358-F360 HydrophobicContact CG2-CE1 3.95Å; I358-F360 HydrophobicContact CG2-CE2 3.94Å; I358-F360 HydrophobicContact CG2-CZ 3.69Å; I358-F400 HydrophobicContact CD1-CE1 4.42Å; I358-F400 HydrophobicContact CG1-CE1 4.17Å; I358-F400 HydrophobicContact CG1-CZ 3.91Å; I358-L432 CarbonylContact C-O 3.52Å; I358-L432 VanDerWaalsContact CA-O 3.3Å; I358-L432 WeakPolarHBondContact CA-O 3.29Å; I358-L432 HydrophobicContact CD1-CD2 4.19Å; I358-L432 HydrophobicContact CG1-CB 4.21Å; I358-L432 HydrophobicContact CG1-CD2 4.2Å; I358-A434 HydrophobicContact CG2-CB 4.47Å; I358-I444 HydrophobicContact CD1-CD1 3.89Å; I358-V447 HydrophobicContact CB-CG1 4.45Å; I358-V447 HydrophobicContact CD1-CB 4.34Å; I358-V447 HydrophobicContact CD1-CG1 3.82Å; I358-V447 HydrophobicContact CD1-CG2 3.53Å; I358-V447 HydrophobicContact CG1-CG1 3.8Å; I358-V447 HydrophobicContact CG1-CG2 4.13Å; I358-T449 PolarHBondContact N-O 2.99Å; I358-V450 CarbonylContact O-C 3.41Å; I358-V450 WeakPolarHBondContact O-CA 3.4Å; I358-I451 PolarHBondContact O-N 3.27Å; I358-R468 HydrophobicContact CD1-CB 4.26Å
359	V	96.5	Very high	93.6	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.8	173	-171.3	0	0	0	0	108.8	V345 L349 T357 L361 I431 L432 L433 A434 I451	V345-V359 HydrophobicContact CG1-CG1 4.05Å; L349-V359 HydrophobicContact CD1-CG2 4.11Å; L349-V359 HydrophobicContact CD2-CG2 3.97Å; T357-V359 HydrophobicContact CG2-CG2 4.36Å; V359-L361 HydrophobicContact CB-CD1 4.22Å; V359-L361 HydrophobicContact CG1-CD1 3.92Å; V359-L361 HydrophobicContact CG1-CG 4.28Å; V359-L361 WeakPolarHBondContact O-CD1 3.43Å; V359-I431 HydrophobicContact CG2-CG2 4.13Å; V359-L432 PolarHBondContact N-O 3.11Å; V359-L433 HydrophobicContact CB-CD2 3.7Å; V359-L433 HydrophobicContact CG1-CD2 4.4Å; V359-L433 HydrophobicContact CG2-CD2 3.85Å; V359-A434 PolarHBondContact O-N 3.32Å; V359-I451 CarbonylContact C-O 3.59Å; V359-I451 WeakPolarHBondContact CA-O 3.32Å; V359-I451 HydrophobicContact CG1-CB 4.32Å; V359-I451 HydrophobicContact CG1-CG2 4.35Å; V359-I451 HydrophobicContact CG2-CB 4.28Å
360	F	96.3	Very high	93.6	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.9	174.6	-73.5	-60.4	0	0	0	111.4	I358 A434 S439 V450 I451 Y453 R465 R468	I358-F360 HydrophobicContact CG2-CD1 4.48Å; I358-F360 HydrophobicContact CG2-CD2 4.39Å; I358-F360 HydrophobicContact CG2-CE1 3.95Å; I358-F360 HydrophobicContact CG2-CE2 3.94Å; I358-F360 HydrophobicContact CG2-CZ 3.69Å; F360-A434 VanDerWaalsContact CA-O 3.31Å; F360-A434 WeakPolarHBondContact CA-O 3.45Å; F360-A434 HydrophobicContact CD1-CB 4.25Å; F360-A434 HydrophobicContact CE1-CB 4.04Å; F360-S439 WeakPolarHBondContact CE1-OG 3.08Å; F360-V450 HydrophobicContact CD2-CG1 3.61Å; F360-V450 HydrophobicContact CE2-CG1 3.58Å; F360-I451 PolarHBondContact N-O 3.4Å; F360-Y453 WeakPolarHBondContact O-CB 3.44Å; F360-Y453 PolarHBondContact O-N 2.98Å; F360-R465 HydrophobicContact CD1-CG 4.47Å; F360-R465 HydrophobicContact CD2-CB 3.7Å; F360-R465 HydrophobicContact CD2-CG 3.72Å; F360-R465 HydrophobicContact CE2-CB 3.62Å; F360-R465 HydrophobicContact CE2-CG 3.87Å; F360-R465 HydrophobicContact CG-CG 4.04Å; F360-R465 HydrophobicContact CZ-CB 4.42Å; F360-R465 HydrophobicContact CZ-CG 4.35Å; F360-R468 HydrophobicContact CE2-CG 4.3Å; F360-R468 HydrophobicContact CZ-CG 3.96Å
361	L	95.9	Very high	93.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	22%	0.218	C	C	.	.			trans	-113.5	149.9	177.3	-62.3	106.4	0	0	0	111.3	V359 D366 M370 L433 A434 Y453	V359-L361 HydrophobicContact CB-CD1 4.22Å; V359-L361 HydrophobicContact CG1-CD1 3.92Å; V359-L361 HydrophobicContact CG1-CG 4.28Å; V359-L361 WeakPolarHBondContact O-CD1 3.43Å; L361-D366 HydrophobicContact CB-CB 4.16Å; L361-D366 HydrophobicContact CD2-CB 3.91Å; L361-M370 HydrophobicContact CD2-CB 4.15Å; L361-M370 HydrophobicContact CD2-CG 3.33Å; L361-L433 HydrophobicContact CD1-CB 3.94Å; L361-L433 HydrophobicContact CD1-CD2 4.15Å; L361-A434 PolarHBondContact N-O 3.34Å; L361-Y453 HydrophobicContact CD2-CD2 4.19Å; L361-Y453 HydrophobicContact CD2-CG 4.3Å
362	P	93	Very high	93.8	Very high	66 Å²	66	42.4 Å²	42.4	43%	0.429	20%	0.196	S	C	.	.	S	Bend	trans	-71.4	-38.8	-173	24.9	-30.5	0	0	0	112.4	D366 Y453	P362-D366 WeakPolarHBondContact CG-OD2 3.46Å; P362-Y453 HydrophobicContact CG-CD1 4.32Å
363	T	94.4	Very high	93.9	Very high	60 Å²	60	37.6 Å²	37.6	37%	0.368	17%	0.174	S	C	.	.	S	Bend	trans	-123.8	157.3	-177.1	82.5	0	0	0	0	113	K365 D366 C367	T363-K365 PolarHBondContact O-N 3.38Å; T363-K365 PolarHBondContact OG1-N 3.03Å; T363-D366 WeakPolarHBondContact CB-OD2 3.29Å; T363-D366 WeakPolarHBondContact CG2-OD2 3.31Å; T363-D366 PolarHBondContact N-OD2 2.78Å; T363-D366 PolarHBondContact O-N 3Å; T363-D366 PolarHBondContact OG1-N 3.16Å; T363-D366 VanDerWaalsContact OG1-N 3.11Å; T363-D366 PolarHBondContact OG1-OD2 3.47Å; T363-C367 PolarHBondContact O-N 3.32Å
364	K	92.9	Very high	94	Very high	91 Å²	91	37.5 Å²	37.5	40%	0.396	17%	0.173	S	C	.	.	H	α-helix	trans	-60.4	-32.2	172.2	64.7	-165.5	-172.4	177.5	0	112.8	H368 H385 N387	K364-H368 WeakPolarHBondContact O-CB 3.31Å; K364-H368 PolarHBondContact O-N 2.94Å; K364-H368 VanDerWaalsContact O-N 3.1Å; K364-H385 HydrophobicContact CB-CB 3.81Å; K364-N387 HydrophobicContact CD-CB 4.28Å; K364-N387 WeakPolarHBondContact CD-OD1 3.48Å; K364-N387 VanDerWaalsContact CE-OD1 3.27Å; K364-N387 WeakPolarHBondContact CE-OD1 3.45Å; K364-N387 PolarHBondContact NZ-OD1 2.85Å
365	K	94.5	Very high	94.2	Very high	162 Å²	162	31.4 Å²	31.4	70%	0.704	15%	0.153	S	C	*	.	H	α-helix	trans	-67.5	-40.9	175.8	-68.1	-172.6	176.5	-173.5	0	110.8	T363 H368 K369	T363-K365 PolarHBondContact O-N 3.38Å; T363-K365 PolarHBondContact OG1-N 3.03Å; K365-H368 PolarHBondContact O-N 3.35Å; K365-K369 VanDerWaalsContact O-CB 3.31Å; K365-K369 WeakPolarHBondContact O-CB 3.49Å; K365-K369 PolarHBondContact O-N 2.85Å
366	D	95.2	Very high	94.4	Very high	37 Å²	37	25.7 Å²	25.7	20%	0.198	13%	0.129	C	C	.	.	H	α-helix	trans	-66.9	-44.3	177.1	-58.3	-49.5	0	0	0	111.4	L361 P362 T363 H368 K369 M370	L361-D366 HydrophobicContact CB-CB 4.16Å; L361-D366 HydrophobicContact CD2-CB 3.91Å; P362-D366 WeakPolarHBondContact CG-OD2 3.46Å; T363-D366 WeakPolarHBondContact CB-OD2 3.29Å; T363-D366 WeakPolarHBondContact CG2-OD2 3.31Å; T363-D366 PolarHBondContact N-OD2 2.78Å; T363-D366 PolarHBondContact O-N 3Å; T363-D366 PolarHBondContact OG1-N 3.16Å; T363-D366 VanDerWaalsContact OG1-N 3.11Å; T363-D366 PolarHBondContact OG1-OD2 3.47Å; D366-H368 VanDerWaalsContact C-N 3.31Å; D366-H368 PolarHBondContact O-N 3.22Å; D366-K369 PolarHBondContact O-N 3Å; D366-M370 WeakPolarHBondContact O-CB 3.47Å; D366-M370 VanDerWaalsContact O-CG 3.29Å; D366-M370 WeakPolarHBondContact O-CG 3.37Å; D366-M370 PolarHBondContact O-N 2.65Å
367	C	95.7	Very high	94.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-52	-52.1	172.9	-80.2	0	0	0	0	111.5	T363 M370 H371 H385 A434	T363-C367 PolarHBondContact O-N 3.32Å; C367-M370 PolarHBondContact O-N 3.25Å; C367-H371 PolarHBondContact O-N 2.77Å; C367-H385 HydrophobicContact CB-CB 4.42Å; C367-A434 VanDerWaalsContact SG-C 3.56Å
368	H	95.3	Very high	94.2	Very high	19 Å²	19	27.5 Å²	27.5	9%	0.088	15%	0.145	C	C	.	.	H	α-helix	trans	-67.7	-44.2	-176	-168	69.5	0	0	0	113	K364 K365 D366 M370 H371 I372 E383 E532	K364-H368 WeakPolarHBondContact O-CB 3.31Å; K364-H368 PolarHBondContact O-N 2.94Å; K364-H368 VanDerWaalsContact O-N 3.1Å; K365-H368 PolarHBondContact O-N 3.35Å; D366-H368 VanDerWaalsContact C-N 3.31Å; D366-H368 PolarHBondContact O-N 3.22Å; H368-M370 VanDerWaalsContact C-N 3.28Å; H368-M370 PolarHBondContact O-N 3.08Å; H368-H371 WeakPolarHBondContact O-CB 3.44Å; H368-H371 PolarHBondContact O-N 2.8Å; H368-H371 VanDerWaalsContact O-N 3.15Å; H368-I372 PolarHBondContact O-N 2.9Å; H368-E383 WeakPolarHBondContact CA-OE2 3.26Å; H368-E383 WeakPolarHBondContact CB-OE2 3.45Å; H368-E383 IonicContact CE1-OE1 2.74Å; H368-E383 IonicContact CG-OE2 3.76Å; H368-E383 IonicContact ND1-OE1 2.82Å; H368-E383 PolarHBondContact ND1-OE1 2.8Å; H368-E383 IonicContact ND1-OE2 3.88Å; H368-E383 PolarHBondContact ND1-OE2 2.75Å; H368-E532 IonicContact CE1-OE1 3.93Å; H368-E532 IonicContact NE2-OE1 2.65Å; H368-E532 IonicContact NE2-OE2 2.69Å; H368-E532 PolarHBondContact NE2-OE2 3.4Å
369	K	95	Very high	94.1	Very high	39 Å²	39	28.7 Å²	28.7	17%	0.17	15%	0.151	C	C	.	.	H	α-helix	trans	-61.8	-38.8	175.5	-163.5	-176.1	169.8	162.7	0	111.4	K365 D366 M373 E522	K365-K369 VanDerWaalsContact O-CB 3.31Å; K365-K369 WeakPolarHBondContact O-CB 3.49Å; K365-K369 PolarHBondContact O-N 2.85Å; D366-K369 PolarHBondContact O-N 3Å; K369-M373 HydrophobicContact CB-CE 4.33Å; K369-M373 HydrophobicContact CD-CE 4.03Å; K369-M373 HydrophobicContact CG-CE 3.68Å; K369-M373 WeakPolarHBondContact O-CE 3.13Å; K369-M373 PolarHBondContact O-N 2.67Å; K369-M373 VanDerWaalsContact O-N 3.13Å; K369-E522 IonicContact NZ-OE1 3.75Å; K369-E522 PolarHBondContact NZ-OE1 3.08Å; K369-E522 IonicContact NZ-OE2 3.86Å
370	M	95.6	Very high	93.7	Very high	7 Å²	7	30.9 Å²	30.9	3%	0.034	17%	0.167	C	C	.	.	H	α-helix	trans	-69.8	-33.8	175	-67	-33.8	-46.6	0	0	113.4	R342 I346 L361 D366 C367 H368 I372 M373 L374 L433	R342-M370 HydrophobicContact CB-CE 4.41Å; R342-M370 HydrophobicContact CB-SD 4.48Å; R342-M370 HydrophobicContact CG-SD 4.05Å; I346-M370 HydrophobicContact CD1-CE 3.89Å; I346-M370 HydrophobicContact CG1-CE 4.12Å; L361-M370 HydrophobicContact CD2-CB 4.15Å; L361-M370 HydrophobicContact CD2-CG 3.33Å; D366-M370 WeakPolarHBondContact O-CB 3.47Å; D366-M370 VanDerWaalsContact O-CG 3.29Å; D366-M370 WeakPolarHBondContact O-CG 3.37Å; D366-M370 PolarHBondContact O-N 2.65Å; C367-M370 PolarHBondContact O-N 3.25Å; H368-M370 VanDerWaalsContact C-N 3.28Å; H368-M370 PolarHBondContact O-N 3.08Å; M370-I372 VanDerWaalsContact C-N 3.35Å; M370-M373 HydrophobicContact CE-CB 3.96Å; M370-M373 HydrophobicContact CE-CE 3.23Å; M370-M373 HydrophobicContact CE-CG 4.28Å; M370-M373 HydrophobicContact CE-SD 3.39Å; M370-M373 WeakPolarHBondContact CE-SD 3.21Å; M370-M373 PolarHBondContact O-N 3.25Å; M370-M373 HydrophobicContact SD-CE 3.24Å; M370-M373 WeakPolarHBondContact SD-CE 3.23Å; M370-M373 HydrophobicContact SD-SD 4.2Å; M370-L374 WeakPolarHBondContact O-CB 3.42Å; M370-L374 VanDerWaalsContact O-CG 3.27Å; M370-L374 WeakPolarHBondContact O-CG 3.22Å; M370-L374 PolarHBondContact O-N 2.87Å; M370-L433 HydrophobicContact CB-CD1 3.93Å
371	H	95.2	Very high	93.5	Very high	11 Å²	11	31.1 Å²	31.1	5%	0.051	17%	0.169	C	C	.	.	H	α-helix	trans	-57.4	-50.3	174.8	179.2	64.4	0	0	0	110.5	D35 C367 H368 M373 L374 G375 C381 E383 L433	D35-H371 IonicContact OD1-CE1 3.65Å; D35-H371 IonicContact OD1-NE2 3.27Å; D35-H371 PolarHBondContact OD1-NE2 2.76Å; D35-H371 VanDerWaalsContact OD1-NE2 3.15Å; C367-H371 PolarHBondContact O-N 2.77Å; H368-H371 WeakPolarHBondContact O-CB 3.44Å; H368-H371 PolarHBondContact O-N 2.8Å; H368-H371 VanDerWaalsContact O-N 3.15Å; H371-M373 PolarHBondContact O-N 3.31Å; H371-L374 PolarHBondContact O-N 3.37Å; H371-G375 PolarHBondContact O-N 2.73Å; H371-C381 PolarHBondContact CE1-O 3.37Å; H371-C381 VanDerWaalsContact CE1-O 3.29Å; H371-C381 PolarHBondContact ND1-SG 3.27Å; H371-E383 HydrophobicContact CB-CB 4.42Å; H371-L433 VanDerWaalsContact CA-CD1 3.43Å; H371-L433 HydrophobicContact CB-CD1 3.84Å; H371-L433 VanDerWaalsContact N-CD1 3.25Å
372	I	94.7	Very high	93.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61	-47.7	177.9	-58.8	168.4	0	0	0	110.8	V34 I38 H368 M370 L374 G375 L376 I525 I528 L529	V34-I372 HydrophobicContact CG1-CG1 3.98Å; I38-I372 HydrophobicContact CG1-CG2 4.4Å; H368-I372 PolarHBondContact O-N 2.9Å; M370-I372 VanDerWaalsContact C-N 3.35Å; I372-L374 PolarHBondContact O-N 3.43Å; I372-G375 PolarHBondContact O-N 2.87Å; I372-L376 HydrophobicContact CG2-CD1 3.94Å; I372-L376 HydrophobicContact CG2-CG 4.33Å; I372-L376 WeakPolarHBondContact O-CB 3.4Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.17Å; I372-L376 PolarHBondContact O-N 3.34Å; I372-I525 HydrophobicContact CG2-CB 3.99Å; I372-I525 HydrophobicContact CG2-CG1 4Å; I372-I528 HydrophobicContact CD1-CG2 3.92Å; I372-I528 HydrophobicContact CG1-CG2 4.34Å; I372-I528 HydrophobicContact CG2-CB 4.39Å; I372-I528 HydrophobicContact CG2-CD1 3.64Å; I372-I528 HydrophobicContact CG2-CG2 4.24Å; I372-L529 HydrophobicContact CD1-CD2 3.64Å; I372-L529 HydrophobicContact CD1-CG 4.03Å
373	M	94	Very high	93.4	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-49.7	178.8	-84.2	-173.6	-97.1	0	0	113.2	I346 K369 M370 H371 G375 L376 L377 I518 I525	I346-M373 HydrophobicContact CD1-SD 4.27Å; K369-M373 HydrophobicContact CB-CE 4.33Å; K369-M373 HydrophobicContact CD-CE 4.03Å; K369-M373 HydrophobicContact CG-CE 3.68Å; K369-M373 WeakPolarHBondContact O-CE 3.13Å; K369-M373 PolarHBondContact O-N 2.67Å; K369-M373 VanDerWaalsContact O-N 3.13Å; M370-M373 HydrophobicContact CE-CB 3.96Å; M370-M373 HydrophobicContact CE-CE 3.23Å; M370-M373 HydrophobicContact CE-CG 4.28Å; M370-M373 HydrophobicContact CE-SD 3.39Å; M370-M373 WeakPolarHBondContact CE-SD 3.21Å; M370-M373 PolarHBondContact O-N 3.25Å; M370-M373 HydrophobicContact SD-CE 3.24Å; M370-M373 WeakPolarHBondContact SD-CE 3.23Å; M370-M373 HydrophobicContact SD-SD 4.2Å; H371-M373 PolarHBondContact O-N 3.31Å; M373-G375 VanDerWaalsContact C-N 3.34Å; M373-L376 PolarHBondContact O-N 2.86Å; M373-L377 WeakPolarHBondContact O-CB 2.98Å; M373-L377 VanDerWaalsContact O-CG 3.31Å; M373-L377 WeakPolarHBondContact O-CG 3.39Å; M373-L377 PolarHBondContact O-N 3.09Å; M373-I518 HydrophobicContact SD-CG2 4.22Å; M373-I525 HydrophobicContact CG-CD1 3.36Å; M373-I525 HydrophobicContact CG-CG1 4.29Å; M373-I525 HydrophobicContact SD-CD1 4.34Å
374	L	94.5	Very high	93.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-68	-37.7	-177.9	-67.3	175.8	0	0	0	111	I346 L349 M370 H371 I372 L377 G378 L379 C381 I431 L433	I346-L374 HydrophobicContact CG1-CD2 3.88Å; L349-L374 HydrophobicContact CD1-CD1 3.68Å; L349-L374 HydrophobicContact CD1-CD2 3.74Å; L349-L374 HydrophobicContact CD1-CG 4.41Å; M370-L374 WeakPolarHBondContact O-CB 3.42Å; M370-L374 VanDerWaalsContact O-CG 3.27Å; M370-L374 WeakPolarHBondContact O-CG 3.22Å; M370-L374 PolarHBondContact O-N 2.87Å; H371-L374 PolarHBondContact O-N 3.37Å; I372-L374 PolarHBondContact O-N 3.43Å; L374-L377 CarbonylContact O-C 3.57Å; L374-L377 PolarHBondContact O-N 3.24Å; L374-G378 PolarHBondContact O-N 2.83Å; L374-L379 HydrophobicContact CB-CB 4.26Å; L374-L379 HydrophobicContact CB-CD1 4.48Å; L374-L379 HydrophobicContact CD2-CD1 3.61Å; L374-L379 PolarHBondContact O-N 2.94Å; L374-C381 HydrophobicContact CD1-CB 4.49Å; L374-I431 HydrophobicContact CD1-CG2 4.44Å; L374-L433 HydrophobicContact CD1-CD1 4.11Å; L374-L433 HydrophobicContact CD1-CD2 3.8Å; L374-L433 HydrophobicContact CD1-CG 4.43Å
375	G	92.1	Very high	93.2	Very high	9 Å²	9	23 Å²	23	9%	0.093	12%	0.123	C	C	.	.	H	α-helix	trans	-61.7	-45.4	174.1	0	0	0	0	0	112.7	H371 I372 M373 L377 G378	H371-G375 PolarHBondContact O-N 2.73Å; I372-G375 PolarHBondContact O-N 2.87Å; M373-G375 VanDerWaalsContact C-N 3.34Å; G375-L377 VanDerWaalsContact C-N 3.31Å; G375-L377 PolarHBondContact O-N 3Å; G375-G378 WeakPolarHBondContact O-CA 3.36Å; G375-G378 PolarHBondContact O-N 2.93Å
376	L	92.6	Very high	92.6	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-35.1	175.3	-71.2	173.9	0	0	0	112.3	I38 I45 I372 M373 G378 L521 I524 I525 I528	I38-L376 HydrophobicContact CG2-CD2 4.48Å; I45-L376 HydrophobicContact CD1-CD2 4.28Å; I372-L376 HydrophobicContact CG2-CD1 3.94Å; I372-L376 HydrophobicContact CG2-CG 4.33Å; I372-L376 WeakPolarHBondContact O-CB 3.4Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.17Å; I372-L376 PolarHBondContact O-N 3.34Å; M373-L376 PolarHBondContact O-N 2.86Å; L376-G378 PolarHBondContact O-N 2.65Å; L376-L521 HydrophobicContact CB-CD1 4.2Å; L376-L521 HydrophobicContact CB-CD2 4.27Å; L376-L521 HydrophobicContact CD1-CD2 4.42Å; L376-I524 HydrophobicContact CD1-CB 4.46Å; L376-I524 HydrophobicContact CD1-CG2 3.98Å; L376-I524 HydrophobicContact CD2-CG2 4.19Å; L376-I525 HydrophobicContact CD1-CG1 3.69Å; L376-I528 HydrophobicContact CD1-CD1 4.15Å; L376-I528 HydrophobicContact CD2-CD1 4.14Å; L376-I528 HydrophobicContact CG-CD1 4.42Å
377	L	92.2	Very high	92.2	Very high	37 Å²	37	20.7 Å²	20.7	19%	0.194	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-0.9	172	-69.1	170.9	0	0	0	113.5	I346 M350 M373 L374 G375 L521	I346-L377 HydrophobicContact CD1-CD1 3.9Å; I346-L377 HydrophobicContact CG1-CD1 4.38Å; I346-L377 HydrophobicContact CG2-CD1 3.49Å; I346-L377 VanDerWaalsContact CG2-CD1 3.49Å; M350-L377 HydrophobicContact SD-CB 4.24Å; M350-L377 HydrophobicContact SD-CD1 4.16Å; M373-L377 WeakPolarHBondContact O-CB 2.98Å; M373-L377 VanDerWaalsContact O-CG 3.31Å; M373-L377 WeakPolarHBondContact O-CG 3.39Å; M373-L377 PolarHBondContact O-N 3.09Å; L374-L377 CarbonylContact O-C 3.57Å; L374-L377 PolarHBondContact O-N 3.24Å; G375-L377 VanDerWaalsContact C-N 3.31Å; G375-L377 PolarHBondContact O-N 3Å; L377-L521 HydrophobicContact CD1-CD1 4.48Å; L377-L521 HydrophobicContact CD2-CD1 3.65Å; L377-L521 HydrophobicContact CG-CD1 3.73Å
378	G	89	Confident	91.7	Very high	24 Å²	24	21.7 Å²	21.7	25%	0.247	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	15.3	172.3	0	0	0	0	0	116.4	L374 G375 L376	L374-G378 PolarHBondContact O-N 2.83Å; G375-G378 WeakPolarHBondContact O-CA 3.36Å; G375-G378 PolarHBondContact O-N 2.93Å; L376-G378 PolarHBondContact O-N 2.65Å
379	L	91	Very high	91.1	Very high	26 Å²	26	24.3 Å²	24.3	14%	0.136	15%	0.152	C	C	.	.			trans	-83.6	140.5	173.1	-69.7	173.5	0	0	0	111.2	L349 M350 L374 C381 I431	L349-L379 HydrophobicContact CB-CD1 4.06Å; M350-L379 HydrophobicContact CG-CD1 3.56Å; M350-L379 HydrophobicContact CG-CD2 4.34Å; M350-L379 HydrophobicContact CG-CG 4.15Å; L374-L379 HydrophobicContact CB-CB 4.26Å; L374-L379 HydrophobicContact CB-CD1 4.48Å; L374-L379 HydrophobicContact CD2-CD1 3.61Å; L374-L379 PolarHBondContact O-N 2.94Å; L379-C381 PolarHBondContact O-N 3.06Å; L379-I431 HydrophobicContact CB-CD1 4.14Å; L379-I431 HydrophobicContact CD1-CD1 4.06Å; L379-I431 HydrophobicContact CD2-CD1 4.43Å; L379-I431 HydrophobicContact CG-CD1 4.46Å
380	S	88.8	Confident	90	Very high	47 Å²	47	24.7 Å²	24.7	33%	0.329	15%	0.154	S	C	.	.			trans	-79.8	101.4	175.3	57.6	0	0	0	0	110.3	D430 I431	S380-D430 PolarHBondContact O-N 3.48Å; S380-D430 VanDerWaalsContact O-N 3.16Å; S380-D430 PolarHBondContact OG-N 3Å; S380-D430 PolarHBondContact OG-OD2 3.01Å; S380-I431 PolarHBondContact O-N 2.91Å
381	C	92.8	Very high	89.3	Confident	7 Å²	7	27.2 Å²	27.2	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	160.7	178.3	61.9	0	0	0	0	113.3	H371 L374 L379 I431	H371-C381 PolarHBondContact CE1-O 3.37Å; H371-C381 VanDerWaalsContact CE1-O 3.29Å; H371-C381 PolarHBondContact ND1-SG 3.27Å; L374-C381 HydrophobicContact CD1-CB 4.49Å; L379-C381 PolarHBondContact O-N 3.06Å; C381-I431 CarbonylContact C-O 3.46Å; C381-I431 WeakPolarHBondContact CA-O 3.11Å; C381-I431 HydrophobicContact CB-CB 3.85Å; C381-I431 HydrophobicContact CB-CG2 4.08Å
382	T	92.6	Very high	88.8	Confident	11 Å²	11	28.9 Å²	28.9	7%	0.067	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.1	167.1	-165.6	0	0	0	0	109.6	A396 F400 V429 I431 L432 L433	T382-A396 HydrophobicContact CG2-CB 3.97Å; T382-A396 VanDerWaalsContact OG1-CB 3.28Å; T382-A396 WeakPolarHBondContact OG1-CB 3.46Å; T382-F400 HydrophobicContact CG2-CB 4.27Å; T382-V429 HydrophobicContact CG2-CG2 3.61Å; T382-I431 PolarHBondContact N-O 3.41Å; T382-L432 HydrophobicContact CG2-CD1 3.5Å; T382-L432 WeakPolarHBondContact O-CA 3.47Å; T382-L433 PolarHBondContact O-N 3.45Å
383	E	93.2	Very high	88.4	Confident	25 Å²	25	29.8 Å²	29.8	12%	0.117	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	156.7	-177.8	59.7	-179.5	-171.6	0	0	112.7	H368 H371 H385 M388 A396 L433	H368-E383 WeakPolarHBondContact CA-OE2 3.26Å; H368-E383 WeakPolarHBondContact CB-OE2 3.45Å; H368-E383 IonicContact CE1-OE1 2.74Å; H368-E383 IonicContact CG-OE2 3.76Å; H368-E383 IonicContact ND1-OE1 2.82Å; H368-E383 PolarHBondContact ND1-OE1 2.8Å; H368-E383 IonicContact ND1-OE2 3.88Å; H368-E383 PolarHBondContact ND1-OE2 2.75Å; H371-E383 HydrophobicContact CB-CB 4.42Å; E383-H385 IonicContact OE1-NE2 3.87Å; E383-H385 IonicContact OE2-CD2 2.78Å; E383-H385 IonicContact OE2-NE2 2.7Å; E383-H385 PolarHBondContact OE2-NE2 2.73Å; E383-M388 VanDerWaalsContact C-SD 3.58Å; E383-M388 HydrophobicContact CG-CE 4.08Å; E383-M388 HydrophobicContact CG-SD 3.96Å; E383-M388 WeakPolarHBondContact O-CE 3.41Å; E383-A396 WeakPolarHBondContact O-CB 3.4Å; E383-L433 CarbonylContact C-O 3.59Å; E383-L433 VanDerWaalsContact CA-O 3.31Å; E383-L433 WeakPolarHBondContact CA-O 3.48Å
384	L	91.4	Very high	87.8	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	94.8	179.2	-170.9	74.2	0	0	0	110.3	M388 R393 L397 L432 L433 A434 T435 A438 L442	L384-M388 VanDerWaalsContact CA-SD 3.58Å; L384-R393 HydrophobicContact CD1-CB 3.86Å; L384-R393 HydrophobicContact CD1-CG 3.83Å; L384-L397 HydrophobicContact CD1-CG 4.35Å; L384-L397 HydrophobicContact CD2-CD2 4.12Å; L384-L432 HydrophobicContact CB-CD1 3.92Å; L384-L433 PolarHBondContact N-O 2.98Å; L384-A434 HydrophobicContact CB-CB 4.13Å; L384-A434 HydrophobicContact CD2-CB 4.41Å; L384-A434 WeakPolarHBondContact O-CA 3.44Å; L384-T435 PolarHBondContact O-N 2.97Å; L384-T435 VanDerWaalsContact O-N 3.09Å; L384-A438 HydrophobicContact CD2-CB 4.46Å; L384-A438 HydrophobicContact CG-CB 3.98Å; L384-A438 WeakPolarHBondContact O-CB 3.36Å; L384-L442 HydrophobicContact CD2-CD1 3.47Å; L384-L442 VanDerWaalsContact CD2-CD1 3.47Å
385	H	91	Very high	87.3	Confident	10 Å²	10	34.7 Å²	34.7	5%	0.046	21%	0.212	C	C	.	.			trans	-142.5	178.3	-178.1	64.1	47.7	0	0	0	113.2	K364 C367 E383 N387 M388 R393 T435	K364-H385 HydrophobicContact CB-CB 3.81Å; C367-H385 HydrophobicContact CB-CB 4.42Å; E383-H385 IonicContact OE1-NE2 3.87Å; E383-H385 IonicContact OE2-CD2 2.78Å; E383-H385 IonicContact OE2-NE2 2.7Å; E383-H385 PolarHBondContact OE2-NE2 2.73Å; H385-N387 VanDerWaalsContact CE1-CB 3.5Å; H385-N387 WeakPolarHBondContact CE1-CB 3.13Å; H385-N387 PolarHBondContact ND1-N 2.84Å; H385-N387 VanDerWaalsContact ND1-N 3.18Å; H385-N387 PolarHBondContact O-N 2.82Å; H385-M388 PolarHBondContact O-N 3.01Å; H385-R393 VanDerWaalsContact C-NH2 3.34Å; H385-R393 PolarHBondContact O-NE 2.97Å; H385-R393 PolarHBondContact O-NH2 2.93Å; H385-T435 HydrophobicContact CB-CG2 3.89Å
386	G	83.3	Confident	87	Confident	48 Å²	48	34.4 Å²	34.4	50%	0.495	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-20	-174.1	0	0	0	0	0	116.2	M388	G386-M388 VanDerWaalsContact C-N 3.34Å
387	N	86.1	Confident	86.7	Confident	104 Å²	104	35 Å²	35	56%	0.556	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.3	177.7	-89.1	10.8	0	0	0	114.3	K364 H385	K364-N387 HydrophobicContact CD-CB 4.28Å; K364-N387 WeakPolarHBondContact CD-OD1 3.48Å; K364-N387 VanDerWaalsContact CE-OD1 3.27Å; K364-N387 WeakPolarHBondContact CE-OD1 3.45Å; K364-N387 PolarHBondContact NZ-OD1 2.85Å; H385-N387 VanDerWaalsContact CE1-CB 3.5Å; H385-N387 WeakPolarHBondContact CE1-CB 3.13Å; H385-N387 PolarHBondContact ND1-N 2.84Å; H385-N387 VanDerWaalsContact ND1-N 3.18Å; H385-N387 PolarHBondContact O-N 2.82Å
388	M	85.7	Confident	86.3	Confident	21 Å²	21	39.5 Å²	39.5	10%	0.103	23%	0.23	C	C	.	.	S	Bend	trans	-77.8	145	-178.9	-67.8	171.8	84.8	0	0	110.2	E383 L384 H385 G386 Q392 R393 A396	E383-M388 VanDerWaalsContact C-SD 3.58Å; E383-M388 HydrophobicContact CG-CE 4.08Å; E383-M388 HydrophobicContact CG-SD 3.96Å; E383-M388 WeakPolarHBondContact O-CE 3.41Å; L384-M388 VanDerWaalsContact CA-SD 3.58Å; H385-M388 PolarHBondContact O-N 3.01Å; G386-M388 VanDerWaalsContact C-N 3.34Å; M388-Q392 HydrophobicContact CB-CB 4.21Å; M388-Q392 HydrophobicContact CE-CB 3.8Å; M388-R393 HydrophobicContact CB-CG 3.77Å; M388-R393 HydrophobicContact SD-CG 4.39Å; M388-A396 HydrophobicContact CE-CB 4.11Å
389	T	82.7	Confident	86.2	Confident	73 Å²	73	40 Å²	40	45%	0.448	22%	0.224	S	C	.	.			trans	-65	160.3	165.3	76.3	0	0	0	0	109.5	A391 Q392 R393	T389-A391 VanDerWaalsContact C-N 3.3Å; T389-A391 PolarHBondContact O-N 2.98Å; T389-Q392 WeakPolarHBondContact O-CB 3.31Å; T389-Q392 PolarHBondContact O-N 3.41Å; T389-Q392 VanDerWaalsContact OG1-CG 3.23Å; T389-Q392 WeakPolarHBondContact OG1-CG 3.44Å; T389-Q392 PolarHBondContact OG1-N 3.26Å; T389-Q392 PolarHBondContact OG1-OE1 3.49Å; T389-R393 WeakPolarHBondContact O-CG 3.12Å; T389-R393 PolarHBondContact O-N 3.48Å
390	Q	72.1	Confident	86.1	Confident	47 Å²	47	38.7 Å²	38.7	22%	0.22	22%	0.218	C	C	.	.	H	α-helix	trans	-69.6	-32.8	-177	-65.3	-71.6	-23.4	0	0	112.1	E190 R393 L394	E190-Q390 PolarHBondContact OE1-OE1 3.12Å; Q390-R393 PolarHBondContact O-N 2.94Å; Q390-L394 WeakPolarHBondContact O-CG 3.47Å; Q390-L394 PolarHBondContact O-N 3.37Å; Q390-L394 VanDerWaalsContact O-N 3.08Å
391	A	80.4	Confident	85.8	Confident	61 Å²	61	38.7 Å²	38.7	50%	0.504	22%	0.217	S	C	.	.	H	α-helix	trans	-61	-47.4	171.3	0	0	0	0	0	111	T389 R393 L394 E395	T389-A391 VanDerWaalsContact C-N 3.3Å; T389-A391 PolarHBondContact O-N 2.98Å; A391-R393 PolarHBondContact O-N 3.25Å; A391-L394 PolarHBondContact O-N 3.43Å; A391-E395 WeakPolarHBondContact O-CB 3.31Å; A391-E395 PolarHBondContact O-N 3.42Å
392	Q	84.9	Confident	85.1	Confident	46 Å²	46	43.9 Å²	43.9	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-41.1	176.7	-69.8	168	-19.7	0	0	112.3	N31 M388 T389 E395 A396	N31-Q392 HydrophobicContact CB-CG 4.49Å; N31-Q392 VanDerWaalsContact OD1-CG 3.3Å; N31-Q392 WeakPolarHBondContact OD1-CG 3.33Å; N31-Q392 PolarHBondContact OD1-NE2 3.3Å; M388-Q392 HydrophobicContact CB-CB 4.21Å; M388-Q392 HydrophobicContact CE-CB 3.8Å; T389-Q392 WeakPolarHBondContact O-CB 3.31Å; T389-Q392 PolarHBondContact O-N 3.41Å; T389-Q392 VanDerWaalsContact OG1-CG 3.23Å; T389-Q392 WeakPolarHBondContact OG1-CG 3.44Å; T389-Q392 PolarHBondContact OG1-N 3.26Å; T389-Q392 PolarHBondContact OG1-OE1 3.49Å; Q392-E395 PolarHBondContact O-N 3.08Å; Q392-A396 WeakPolarHBondContact O-CB 3.17Å; Q392-A396 PolarHBondContact O-N 2.92Å
393	R	85.5	Confident	83.5	Confident	19 Å²	19	47.1 Å²	47.1	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-44.2	176.2	-72.1	-175.4	148.5	-165.2	-3.4	112.6	E190 L384 H385 M388 T389 Q390 A391 A396 L397	E190-R393 WeakPolarHBondContact OE1-CD 3.47Å; E190-R393 IonicContact OE1-CZ 3.44Å; E190-R393 IonicContact OE1-NE 3.52Å; E190-R393 IonicContact OE1-NH1 3.42Å; E190-R393 PolarHBondContact OE1-NH1 2.82Å; E190-R393 IonicContact OE2-NH1 3.97Å; L384-R393 HydrophobicContact CD1-CB 3.86Å; L384-R393 HydrophobicContact CD1-CG 3.83Å; H385-R393 VanDerWaalsContact C-NH2 3.34Å; H385-R393 PolarHBondContact O-NE 2.97Å; H385-R393 PolarHBondContact O-NH2 2.93Å; M388-R393 HydrophobicContact CB-CG 3.77Å; M388-R393 HydrophobicContact SD-CG 4.39Å; T389-R393 WeakPolarHBondContact O-CG 3.12Å; T389-R393 PolarHBondContact O-N 3.48Å; Q390-R393 PolarHBondContact O-N 2.94Å; A391-R393 PolarHBondContact O-N 3.25Å; R393-A396 PolarHBondContact O-N 3.4Å; R393-L397 WeakPolarHBondContact O-CG 3.47Å; R393-L397 PolarHBondContact O-N 3.47Å
394	L	81.6	Confident	81.7	Confident	56 Å²	56	47.4 Å²	47.4	29%	0.293	27%	0.266	S	S	.	.	H	α-helix	trans	-67	-39.7	177.9	-71	174	0	0	0	111.3	Q390 A391 L397 K398	Q390-L394 WeakPolarHBondContact O-CG 3.47Å; Q390-L394 PolarHBondContact O-N 3.37Å; Q390-L394 VanDerWaalsContact O-N 3.08Å; A391-L394 PolarHBondContact O-N 3.43Å; L394-L397 PolarHBondContact O-N 2.9Å; L394-K398 WeakPolarHBondContact O-CB 3.31Å; L394-K398 VanDerWaalsContact O-CG 3.29Å; L394-K398 WeakPolarHBondContact O-CG 3.28Å; L394-K398 PolarHBondContact O-N 3.32Å
395	E	83.6	Confident	79.1	Confident	50 Å²	50	53.2 Å²	53.2	23%	0.234	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-48.1	173.8	-174.5	-177.7	170	0	0	111.7	A391 Q392 L397 K398 R399	A391-E395 WeakPolarHBondContact O-CB 3.31Å; A391-E395 PolarHBondContact O-N 3.42Å; Q392-E395 PolarHBondContact O-N 3.08Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 2.97Å; E395-K398 WeakPolarHBondContact O-CB 3.45Å; E395-K398 PolarHBondContact O-N 3.07Å; E395-K398 VanDerWaalsContact O-N 3.1Å; E395-R399 HydrophobicContact CG-CG 4.46Å; E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 2.95Å
396	A	87.4	Confident	76.6	Confident	2 Å²	2	57.5 Å²	57.5	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-44.3	175.8	0	0	0	0	0	111.7	T382 E383 M388 Q392 R393 R399 F400	T382-A396 HydrophobicContact CG2-CB 3.97Å; T382-A396 VanDerWaalsContact OG1-CB 3.28Å; T382-A396 WeakPolarHBondContact OG1-CB 3.46Å; E383-A396 WeakPolarHBondContact O-CB 3.4Å; M388-A396 HydrophobicContact CE-CB 4.11Å; Q392-A396 WeakPolarHBondContact O-CB 3.17Å; Q392-A396 PolarHBondContact O-N 2.92Å; R393-A396 PolarHBondContact O-N 3.4Å; A396-R399 PolarHBondContact O-N 3.5Å; A396-F400 WeakPolarHBondContact O-CB 3.47Å; A396-F400 PolarHBondContact O-N 2.83Å
397	L	84.8	Confident	74.5	Confident	22 Å²	22	61.7 Å²	61.7	12%	0.115	34%	0.344	C	S	.	.	H	α-helix	trans	-66	-39.2	175.1	-71.4	172.7	0	0	0	112.5	L384 R393 L394 E395 S401 L432 L442 I444	L384-L397 HydrophobicContact CD1-CG 4.35Å; L384-L397 HydrophobicContact CD2-CD2 4.12Å; R393-L397 WeakPolarHBondContact O-CG 3.47Å; R393-L397 PolarHBondContact O-N 3.47Å; L394-L397 PolarHBondContact O-N 2.9Å; E395-L397 VanDerWaalsContact C-N 3.31Å; E395-L397 PolarHBondContact O-N 2.97Å; L397-S401 WeakPolarHBondContact O-CA 3.25Å; L397-S401 WeakPolarHBondContact O-CB 3.3Å; L397-S401 PolarHBondContact O-N 3.46Å; L397-S401 PolarHBondContact O-OG 2.83Å; L397-L432 HydrophobicContact CD2-CD2 4.48Å; L397-L442 HydrophobicContact CD1-CD1 3.9Å; L397-L442 HydrophobicContact CD1-CD2 3.86Å; L397-L442 HydrophobicContact CD2-CD1 3.83Å; L397-L442 HydrophobicContact CG-CD1 4.45Å; L397-I444 HydrophobicContact CD2-CD1 3.87Å; L397-I444 HydrophobicContact CD2-CG1 4.16Å
398	K	84.2	Confident	72	Confident	130 Å²	130	63.9 Å²	63.9	57%	0.565	35%	0.351	S	S	*	.	H	α-helix	trans	-62	-51.8	174.4	-77	176.1	-179.4	-175.1	0	110.8	L394 E395 F400 S401 Y402	L394-K398 WeakPolarHBondContact O-CB 3.31Å; L394-K398 VanDerWaalsContact O-CG 3.29Å; L394-K398 WeakPolarHBondContact O-CG 3.28Å; L394-K398 PolarHBondContact O-N 3.32Å; E395-K398 WeakPolarHBondContact O-CB 3.45Å; E395-K398 PolarHBondContact O-N 3.07Å; E395-K398 VanDerWaalsContact O-N 3.1Å; K398-F400 VanDerWaalsContact C-N 3.31Å; K398-F400 PolarHBondContact O-N 3.16Å; K398-S401 WeakPolarHBondContact CA-OG 3.21Å; K398-S401 PolarHBondContact O-N 3.14Å; K398-S401 PolarHBondContact O-OG 2.72Å; K398-Y402 PolarHBondContact O-N 3.33Å
399	R	87.3	Confident	69.7	Low	34 Å²	34	66.9 Å²	66.9	13%	0.128	37%	0.373	C	S	.	.	H	α-helix	trans	-56.3	-42.1	177.7	-71.1	177.6	71.2	172.2	-6.8	112	D35 E395 A396 I426 R427 P428 V429	D35-R399 IonicContact OD2-CZ 2.77Å; D35-R399 IonicContact OD2-NH1 4Å; D35-R399 PolarHBondContact OD2-NH1 3.34Å; D35-R399 IonicContact OD2-NH2 3.89Å; E395-R399 HydrophobicContact CG-CG 4.46Å; E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 2.95Å; A396-R399 PolarHBondContact O-N 3.5Å; R399-I426 HydrophobicContact CG-CG2 3.84Å; R399-R427 PolarHBondContact NE-O 3.02Å; R399-R427 VanDerWaalsContact NE-O 3.14Å; R399-P428 WeakPolarHBondContact O-CA 3.41Å; R399-V429 HydrophobicContact CB-CG1 4.43Å; R399-V429 HydrophobicContact CB-CG2 3.98Å; R399-V429 PolarHBondContact O-N 3.25Å; R399-V429 VanDerWaalsContact O-N 3.09Å
400	F	88.5	Confident	67.3	Low	0 Å²	0	71.8 Å²	71.8	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-78.7	-28.9	176	-174.9	-98	0	0	0	112.7	R356 I358 T382 A396 K398 V429 D430 L432 I444 V447	R356-F400 PolarHBondContact NH1-O 3.09Å; R356-F400 PolarHBondContact NH2-O 2.76Å; I358-F400 HydrophobicContact CD1-CE1 4.42Å; I358-F400 HydrophobicContact CG1-CE1 4.17Å; I358-F400 HydrophobicContact CG1-CZ 3.91Å; T382-F400 HydrophobicContact CG2-CB 4.27Å; A396-F400 WeakPolarHBondContact O-CB 3.47Å; A396-F400 PolarHBondContact O-N 2.83Å; K398-F400 VanDerWaalsContact C-N 3.31Å; K398-F400 PolarHBondContact O-N 3.16Å; F400-V429 HydrophobicContact CB-CG2 3.94Å; F400-V429 HydrophobicContact CD2-CG2 4.29Å; F400-D430 WeakPolarHBondContact CE2-O 3.44Å; F400-L432 HydrophobicContact CB-CB 4.5Å; F400-L432 HydrophobicContact CD1-CB 4.2Å; F400-L432 HydrophobicContact CD1-CD2 4.07Å; F400-L432 HydrophobicContact CD2-CB 3.56Å; F400-L432 HydrophobicContact CE1-CB 4.32Å; F400-L432 HydrophobicContact CE1-CD2 4.37Å; F400-L432 HydrophobicContact CE2-CB 3.65Å; F400-L432 HydrophobicContact CG-CB 3.82Å; F400-L432 HydrophobicContact CG-CD2 4.32Å; F400-L432 HydrophobicContact CZ-CB 4.04Å; F400-I444 HydrophobicContact CD1-CG2 3.45Å; F400-I444 VanDerWaalsContact CD1-CG2 3.45Å; F400-I444 HydrophobicContact CE1-CG2 3.39Å; F400-V447 HydrophobicContact CE1-CG2 4.15Å
401	S	82.4	Confident	65.2	Low	46 Å²	46	76.8 Å²	76.8	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-79.9	-21	179.6	70.4	0	0	0	0	113	L397 K398 V403	L397-S401 WeakPolarHBondContact O-CA 3.25Å; L397-S401 WeakPolarHBondContact O-CB 3.3Å; L397-S401 PolarHBondContact O-N 3.46Å; L397-S401 PolarHBondContact O-OG 2.83Å; K398-S401 WeakPolarHBondContact CA-OG 3.21Å; K398-S401 PolarHBondContact O-N 3.14Å; K398-S401 PolarHBondContact O-OG 2.72Å; S401-V403 PolarHBondContact O-N 3.37Å
402	Y	77.8	Confident	62.6	Low	117 Å²	117	79.9 Å²	79.9	46%	0.459	42%	0.418	S	S	.	.			trans	-57.6	113.9	-179.3	-168	-93.6	0	0	0	109.8	K398 P428	K398-Y402 PolarHBondContact O-N 3.33Å; Y402-P428 HydrophobicContact CD1-CB 3.74Å; Y402-P428 HydrophobicContact CD1-CG 4.15Å; Y402-P428 HydrophobicContact CG-CB 4.36Å
403	V	60	Low	60	Low	79 Å²	79	81.5 Å²	81.5	48%	0.479	44%	0.435	S	S	.	.			trans	-98.4	96.4	168.1	-179.2	0	0	0	0	104.2	S401 T405 N446	S401-V403 PolarHBondContact O-N 3.37Å; V403-T405 PolarHBondContact O-N 3.21Å; V403-T405 VanDerWaalsContact O-N 3.11Å; V403-N446 WeakPolarHBondContact CG2-ND2 3.37Å
404	G	54.5	Low	57.7	Low	31 Å²	31	84.9 Å²	84.9	32%	0.32	47%	0.467	S	S	.	.			trans	-56	121.6	161.1	0	0	0	0	0	106.1	S406	G404-S406 VanDerWaalsContact C-N 3.33Å; G404-S406 PolarHBondContact O-N 3.38Å; G404-S406 PolarHBondContact O-OG 2.97Å
405	T	37.2	Very low	55.2	Low	121 Å²	121	87.3 Å²	87.3	74%	0.742	48%	0.484	S	S	*	.			trans	-46.5	105.6	168.7	32.2	0	0	0	0	106.9	V403 D407	V403-T405 PolarHBondContact O-N 3.21Å; V403-T405 VanDerWaalsContact O-N 3.11Å; T405-D407 VanDerWaalsContact C-N 3.31Å; T405-D407 PolarHBondContact O-N 3.1Å
406	S	39	Very low	52.7	Low	100 Å²	100	90.4 Å²	90.4	70%	0.699	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	92.1	-175.4	-54.8	0	0	0	0	105.3	G404	G404-S406 VanDerWaalsContact C-N 3.33Å; G404-S406 PolarHBondContact O-N 3.38Å; G404-S406 PolarHBondContact O-OG 2.97Å
407	D	39.4	Very low	50.3	Low	137 Å²	137	95.7 Å²	95.7	73%	0.733	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	172.5	-13.4	135	-80.8	-18	0	0	0	113.9	T405	T405-D407 VanDerWaalsContact C-N 3.31Å; T405-D407 PolarHBondContact O-N 3.1Å
408	E	32.9	Very low	47.8	Very low	149 Å²	149	100.8 Å²	100.8	70%	0.696	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-22.6	178	-68	-163.7	166.2	0	0	115.1	K410	E408-K410 PolarHBondContact O-N 2.72Å
409	C	36.7	Very low	45.3	Very low	84 Å²	84	100.7 Å²	100.7	57%	0.568	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-5	-173.4	-123.2	0	0	0	0	114.8	N411	C409-N411 VanDerWaalsContact C-N 3.34Å
410	K	33.7	Very low	42.6	Very low	177 Å²	177	107.7 Å²	107.7	77%	0.77	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-17	174.7	-78.3	-173.4	174.4	-176.4	0	113.6	E408	E408-K410 PolarHBondContact O-N 2.72Å
411	N	27.7	Very low	40	Very low	152 Å²	152	115.3 Å²	115.3	81%	0.813	64%	0.635	S	S	*	*	S	Bend	trans	-114.1	15.3	-174.2	-75.3	-1.7	0	0	0	114.5	C409	C409-N411 VanDerWaalsContact C-N 3.34Å
412	K	26.5	Very low	38.2	Very low	125 Å²	125	121.4 Å²	121.4	54%	0.543	66%	0.664	S	S	.	*	S	Bend	trans	-117.9	118.2	174.3	-69.6	-176.3	-179.2	173.7	0	110.5	Q417	K412-Q417 PolarHBondContact O-NE2 2.83Å
413	S	28.9	Very low	36.7	Very low	81 Å²	81	120 Å²	120	57%	0.566	67%	0.665	S	S	*	*			trans	-50.9	149.6	176.9	42.7	0	0	0	0	111.3	T415 D416	S413-T415 PolarHBondContact O-N 3.27Å; S413-D416 PolarHBondContact O-N 3.39Å
414	A	37.7	Very low	36.1	Very low	90 Å²	90	120.9 Å²	120.9	74%	0.744	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-11.8	-170	0	0	0	0	0	115.9
415	T	29.7	Very low	36.1	Very low	107 Å²	107	123.3 Å²	123.3	66%	0.656	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.8	-29.6	-175.3	-24.6	0	0	0	0	113.6	S413	S413-T415 PolarHBondContact O-N 3.27Å
416	D	29.8	Very low	37.5	Very low	115 Å²	115	120.8 Å²	120.8	62%	0.615	66%	0.659	S	S	*	*	S	Bend	trans	-96.4	8.3	-170.7	-72.8	-13	0	0	0	114.2	S413 L418	S413-D416 PolarHBondContact O-N 3.39Å; D416-L418 VanDerWaalsContact C-N 3.29Å; D416-L418 PolarHBondContact O-N 3.27Å
417	Q	38.1	Very low	39.3	Very low	113 Å²	113	123.2 Å²	123.2	53%	0.528	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.9	11.4	-177.8	-62.9	-177.1	18.1	0	0	114	K412	K412-Q417 PolarHBondContact O-NE2 2.83Å
418	L	32.4	Very low	41.5	Very low	128 Å²	128	120 Å²	120	67%	0.67	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	0	-169.4	-80.8	160.7	0	0	0	115.9	D416 P424	D416-L418 VanDerWaalsContact C-N 3.29Å; D416-L418 PolarHBondContact O-N 3.27Å; L418-P424 HydrophobicContact CD2-CB 3.93Å
419	T	30.6	Very low	44.2	Very low	129 Å²	129	113.2 Å²	113.2	79%	0.791	61%	0.608	S	S	*	*	S	Bend	trans	-112.9	-0.1	-165.2	34.7	0	0	0	0	117.8
420	E	31.4	Very low	46.8	Very low	180 Å²	180	111.9 Å²	111.9	84%	0.841	60%	0.596	S	S	*	*	S	Bend	trans	-132.2	122.7	170.9	-73	-173.1	171.2	0	0	112.3
421	M	34.7	Very low	49.7	Very low	160 Å²	160	103.5 Å²	103.5	79%	0.788	56%	0.559	S	S	*	*	S	Bend	trans	92.9	118.8	176	-50.4	-161.3	77.9	0	0	115.9	N423	M421-N423 PolarHBondContact O-N 3.48Å
422	N	44.2	Very low	52.9	Low	174 Å²	174	96.3 Å²	96.3	93%	0.93	52%	0.521	S	S	*	.	S	Bend	trans	-57.6	26.2	-171.4	-66.2	-15.1	0	0	0	117.9
423	N	45.3	Very low	56.2	Low	87 Å²	87	90.4 Å²	90.4	47%	0.465	50%	0.495	S	S	.	.			trans	-157.1	95	164.2	-157.7	-30.6	0	0	0	110.7	M421 D425 I426	M421-N423 PolarHBondContact O-N 3.48Å; N423-D425 PolarHBondContact O-N 3.26Å; N423-D425 PolarHBondContact OD1-N 3.11Å; N423-I426 HydrophobicContact CB-CD1 4.36Å; N423-I426 HydrophobicContact CB-CG1 4.46Å
424	P	47.4	Very low	59.3	Low	99 Å²	99	86.6 Å²	86.6	64%	0.643	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-4	-178	24	-32.4	0	0	0	114.7	L418	L418-P424 HydrophobicContact CD2-CB 3.93Å
425	D	55.5	Low	61.9	Low	82 Å²	82	82.9 Å²	82.9	44%	0.439	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-4.4	-172.2	-76.8	-21.1	0	0	0	116.5	R32 N423 R427	R32-D425 IonicContact CZ-OD2 2.8Å; R32-D425 VanDerWaalsContact NH1-CG 3.3Å; R32-D425 IonicContact NH1-OD1 2.71Å; R32-D425 IonicContact NH1-OD2 3.44Å; R32-D425 PolarHBondContact NH1-OD2 3.34Å; R32-D425 IonicContact NH2-OD2 3.22Å; R32-D425 PolarHBondContact NH2-OD2 2.65Å; R32-D425 VanDerWaalsContact NH2-OD2 3.09Å; N423-D425 PolarHBondContact O-N 3.26Å; N423-D425 PolarHBondContact OD1-N 3.11Å; D425-R427 PolarHBondContact O-N 3.47Å
426	I	66.8	Low	64.5	Low	68 Å²	68	79.4 Å²	79.4	35%	0.349	41%	0.414	S	S	.	.			trans	-81.5	88.7	-173.4	-55	177.7	0	0	0	110.4	R399 N423 P428	R399-I426 HydrophobicContact CG-CG2 3.84Å; N423-I426 HydrophobicContact CB-CD1 4.36Å; N423-I426 HydrophobicContact CB-CG1 4.46Å; I426-P428 WeakPolarHBondContact O-CD 3.29Å
427	R	76.8	Confident	66.4	Low	150 Å²	150	79.3 Å²	79.3	57%	0.566	41%	0.413	S	S	*	.			trans	-73.6	121.6	174.3	-54.9	-169.9	-146.6	165.8	12	110.9	E39 R399 D425	E39-R427 IonicContact OE1-CZ 3.88Å; E39-R427 VanDerWaalsContact OE1-CZ 3.22Å; E39-R427 IonicContact OE1-NH1 2.64Å; E39-R427 PolarHBondContact OE1-NH1 2.9Å; E39-R427 IonicContact OE1-NH2 3.55Å; E39-R427 PolarHBondContact OE1-NH2 3.12Å; E39-R427 IonicContact OE2-NH2 2.9Å; R399-R427 PolarHBondContact NE-O 3.02Å; R399-R427 VanDerWaalsContact NE-O 3.14Å; D425-R427 PolarHBondContact O-N 3.47Å
428	P	85.8	Confident	67.8	Low	71 Å²	71	74 Å²	74	46%	0.461	39%	0.388	S	S	.	.			trans	-66.2	148.9	177.3	27.2	-33.4	0	0	0	111.4	R399 Y402 I426	R399-P428 WeakPolarHBondContact O-CA 3.41Å; Y402-P428 HydrophobicContact CD1-CB 3.74Å; Y402-P428 HydrophobicContact CD1-CG 4.15Å; Y402-P428 HydrophobicContact CG-CB 4.36Å; I426-P428 WeakPolarHBondContact O-CD 3.29Å
429	V	89.7	Confident	69.4	Low	5 Å²	5	68.1 Å²	68.1	3%	0.03	36%	0.358	C	S	.	.			trans	-126.8	145.5	179.2	-60.2	0	0	0	0	111.1	T382 R399 F400	T382-V429 HydrophobicContact CG2-CG2 3.61Å; R399-V429 HydrophobicContact CB-CG1 4.43Å; R399-V429 HydrophobicContact CB-CG2 3.98Å; R399-V429 PolarHBondContact O-N 3.25Å; R399-V429 VanDerWaalsContact O-N 3.09Å; F400-V429 HydrophobicContact CB-CG2 3.94Å; F400-V429 HydrophobicContact CD2-CG2 4.29Å
430	D	90.6	Very high	71.2	Confident	56 Å²	56	64.8 Å²	64.8	30%	0.299	33%	0.331	S	S	.	.	S	Bend	trans	-94.9	-20.7	-176.9	-80.4	-59.6	0	0	0	113.7	R354 R356 T357 S380 F400	R354-D430 WeakPolarHBondContact O-CB 3.19Å; R356-D430 CarbonylContact C-O 3.58Å; R356-D430 VanDerWaalsContact CA-O 3.31Å; R356-D430 WeakPolarHBondContact CA-O 3.13Å; R356-D430 PolarHBondContact N-O 3.43Å; T357-D430 PolarHBondContact N-O 3.32Å; S380-D430 PolarHBondContact O-N 3.48Å; S380-D430 VanDerWaalsContact O-N 3.16Å; S380-D430 PolarHBondContact OG-N 3Å; S380-D430 PolarHBondContact OG-OD2 3.01Å; F400-D430 WeakPolarHBondContact CE2-O 3.44Å
431	I	94.7	Very high	72.6	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.3	-174.7	-60.5	164.8	0	0	0	110.4	L349 T357 V359 L374 L379 S380 C381 T382 L433	L349-I431 HydrophobicContact CB-CD1 4.28Å; L349-I431 HydrophobicContact CD1-CD1 4.34Å; L349-I431 HydrophobicContact CD2-CD1 3.95Å; L349-I431 HydrophobicContact CD2-CG1 4.22Å; L349-I431 HydrophobicContact CD2-CG2 4.36Å; L349-I431 HydrophobicContact CG-CD1 4.42Å; T357-I431 CarbonylContact O-C 3.55Å; T357-I431 VanDerWaalsContact O-CA 3.29Å; T357-I431 WeakPolarHBondContact O-CA 3.3Å; V359-I431 HydrophobicContact CG2-CG2 4.13Å; L374-I431 HydrophobicContact CD1-CG2 4.44Å; L379-I431 HydrophobicContact CB-CD1 4.14Å; L379-I431 HydrophobicContact CD1-CD1 4.06Å; L379-I431 HydrophobicContact CD2-CD1 4.43Å; L379-I431 HydrophobicContact CG-CD1 4.46Å; S380-I431 PolarHBondContact O-N 2.91Å; C381-I431 CarbonylContact C-O 3.46Å; C381-I431 WeakPolarHBondContact CA-O 3.11Å; C381-I431 HydrophobicContact CB-CB 3.85Å; C381-I431 HydrophobicContact CB-CG2 4.08Å; T382-I431 PolarHBondContact N-O 3.41Å; I431-L433 HydrophobicContact CG2-CD2 3.88Å; I431-L433 HydrophobicContact CG2-CG 4.48Å
432	L	94.7	Very high	74.2	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.1	174.1	177.5	67.8	0	0	0	110.2	T357 I358 V359 T382 L384 L397 F400 I444	T357-L432 PolarHBondContact O-N 2.95Å; I358-L432 CarbonylContact C-O 3.52Å; I358-L432 VanDerWaalsContact CA-O 3.3Å; I358-L432 WeakPolarHBondContact CA-O 3.29Å; I358-L432 HydrophobicContact CD1-CD2 4.19Å; I358-L432 HydrophobicContact CG1-CB 4.21Å; I358-L432 HydrophobicContact CG1-CD2 4.2Å; V359-L432 PolarHBondContact N-O 3.11Å; T382-L432 HydrophobicContact CG2-CD1 3.5Å; T382-L432 WeakPolarHBondContact O-CA 3.47Å; L384-L432 HydrophobicContact CB-CD1 3.92Å; L397-L432 HydrophobicContact CD2-CD2 4.48Å; F400-L432 HydrophobicContact CB-CB 4.5Å; F400-L432 HydrophobicContact CD1-CB 4.2Å; F400-L432 HydrophobicContact CD1-CD2 4.07Å; F400-L432 HydrophobicContact CD2-CB 3.56Å; F400-L432 HydrophobicContact CE1-CB 4.32Å; F400-L432 HydrophobicContact CE1-CD2 4.37Å; F400-L432 HydrophobicContact CE2-CB 3.65Å; F400-L432 HydrophobicContact CG-CB 3.82Å; F400-L432 HydrophobicContact CG-CD2 4.32Å; F400-L432 HydrophobicContact CZ-CB 4.04Å; L432-I444 HydrophobicContact CD2-CD1 3.48Å; L432-I444 VanDerWaalsContact CD2-CD1 3.48Å
433	L	96.2	Very high	75.1	Confident	2 Å²	2	44.7 Å²	44.7	1%	0.01	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	114.4	176.2	-53.4	178.3	0	0	0	109	V359 L361 M370 H371 L374 T382 E383 L384 I431	V359-L433 HydrophobicContact CB-CD2 3.7Å; V359-L433 HydrophobicContact CG1-CD2 4.4Å; V359-L433 HydrophobicContact CG2-CD2 3.85Å; L361-L433 HydrophobicContact CD1-CB 3.94Å; L361-L433 HydrophobicContact CD1-CD2 4.15Å; M370-L433 HydrophobicContact CB-CD1 3.93Å; H371-L433 VanDerWaalsContact CA-CD1 3.43Å; H371-L433 HydrophobicContact CB-CD1 3.84Å; H371-L433 VanDerWaalsContact N-CD1 3.25Å; L374-L433 HydrophobicContact CD1-CD1 4.11Å; L374-L433 HydrophobicContact CD1-CD2 3.8Å; L374-L433 HydrophobicContact CD1-CG 4.43Å; T382-L433 PolarHBondContact O-N 3.45Å; E383-L433 CarbonylContact C-O 3.59Å; E383-L433 VanDerWaalsContact CA-O 3.31Å; E383-L433 WeakPolarHBondContact CA-O 3.48Å; L384-L433 PolarHBondContact N-O 2.98Å; I431-L433 HydrophobicContact CG2-CD2 3.88Å; I431-L433 HydrophobicContact CG2-CG 4.48Å
434	A	94.1	Very high	76.5	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.2	-172.6	0	0	0	0	0	113.7	I358 V359 F360 L361 C367 L384	I358-A434 HydrophobicContact CG2-CB 4.47Å; V359-A434 PolarHBondContact O-N 3.32Å; F360-A434 VanDerWaalsContact CA-O 3.31Å; F360-A434 WeakPolarHBondContact CA-O 3.45Å; F360-A434 HydrophobicContact CD1-CB 4.25Å; F360-A434 HydrophobicContact CE1-CB 4.04Å; L361-A434 PolarHBondContact N-O 3.34Å; C367-A434 VanDerWaalsContact SG-C 3.56Å; L384-A434 HydrophobicContact CB-CB 4.13Å; L384-A434 HydrophobicContact CD2-CB 4.41Å; L384-A434 WeakPolarHBondContact O-CA 3.44Å
435	T	91.6	Very high	77.7	Confident	13 Å²	13	38.6 Å²	38.6	8%	0.08	20%	0.199	C	C	.	.			trans	-90.5	157	164	56.8	0	0	0	0	110.4	L384 H385 L437 A438 S439	L384-T435 PolarHBondContact O-N 2.97Å; L384-T435 VanDerWaalsContact O-N 3.09Å; H385-T435 HydrophobicContact CB-CG2 3.89Å; T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 3.05Å; T435-A438 PolarHBondContact O-N 3.31Å; T435-A438 VanDerWaalsContact OG1-CB 3.31Å; T435-A438 WeakPolarHBondContact OG1-CB 3.48Å; T435-S439 WeakPolarHBondContact O-CB 3.46Å; T435-S439 PolarHBondContact O-N 3.48Å; T435-S439 VanDerWaalsContact O-N 3.08Å; T435-S439 PolarHBondContact O-OG 2.86Å
436	D	83.6	Confident	78.7	Confident	33 Å²	33	38.3 Å²	38.3	18%	0.176	20%	0.198	C	C	.	.	H	α-helix	trans	-54.3	-49.6	177	-77.7	-52.4	0	0	0	112.1	A438 S439 R440 R465	D436-A438 PolarHBondContact O-N 3.45Å; D436-S439 PolarHBondContact O-N 3.45Å; D436-S439 PolarHBondContact O-OG 2.96Å; D436-R440 WeakPolarHBondContact O-CG 3.44Å; D436-R440 PolarHBondContact O-N 3.43Å; D436-R440 VanDerWaalsContact O-N 3.16Å; D436-R465 WeakPolarHBondContact OD1-CG 3.35Å; D436-R465 IonicContact OD1-CZ 2.97Å; D436-R465 IonicContact OD1-NE 3.09Å; D436-R465 PolarHBondContact OD1-NE 2.93Å; D436-R465 IonicContact OD1-NH2 2.78Å; D436-R465 IonicContact OD2-CZ 3.79Å; D436-R465 IonicContact OD2-NE 3.65Å; D436-R465 PolarHBondContact OD2-NE 2.96Å; D436-R465 IonicContact OD2-NH2 2.64Å; D436-R465 PolarHBondContact OD2-NH2 3.44Å
437	L	71.1	Confident	79.7	Confident	113 Å²	113	35.5 Å²	35.5	59%	0.592	18%	0.184	S	C	*	.	H	α-helix	trans	-60.1	-37.2	-175.8	-176.9	61.5	0	0	0	112	T435	T435-L437 VanDerWaalsContact C-N 3.33Å; T435-L437 PolarHBondContact O-N 3.05Å
438	A	66.9	Low	80.3	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-81	-27	-176.1	0	0	0	0	0	113.8	L384 T435 D436 L442	L384-A438 HydrophobicContact CD2-CB 4.46Å; L384-A438 HydrophobicContact CG-CB 3.98Å; L384-A438 WeakPolarHBondContact O-CB 3.36Å; T435-A438 PolarHBondContact O-N 3.31Å; T435-A438 VanDerWaalsContact OG1-CB 3.31Å; T435-A438 WeakPolarHBondContact OG1-CB 3.48Å; D436-A438 PolarHBondContact O-N 3.45Å; A438-L442 WeakPolarHBondContact O-CD1 3.37Å
439	S	66.8	Low	80.7	Confident	6 Å²	6	30.2 Å²	30.2	4%	0.042	16%	0.16	C	C	.	.	H	α-helix	trans	-95.9	-9.5	-176.3	57.1	0	0	0	0	114.8	F360 T435 D436 G441 L442	F360-S439 WeakPolarHBondContact CE1-OG 3.08Å; T435-S439 WeakPolarHBondContact O-CB 3.46Å; T435-S439 PolarHBondContact O-N 3.48Å; T435-S439 VanDerWaalsContact O-N 3.08Å; T435-S439 PolarHBondContact O-OG 2.86Å; D436-S439 PolarHBondContact O-N 3.45Å; D436-S439 PolarHBondContact O-OG 2.96Å; S439-G441 PolarHBondContact O-N 2.9Å; S439-L442 PolarHBondContact O-N 3.29Å
440	R	68.4	Low	80.9	Confident	59 Å²	59	30 Å²	30	22%	0.223	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	133.8	-179.2	-86.6	163.7	-169	-150.4	6.1	111.4	D269 D436 L442	D269-R440 IonicContact OD2-NH1 3.05Å; D269-R440 PolarHBondContact OD2-NH1 3.16Å; D269-R440 VanDerWaalsContact OD2-NH1 3.12Å; D436-R440 WeakPolarHBondContact O-CG 3.44Å; D436-R440 PolarHBondContact O-N 3.43Å; D436-R440 VanDerWaalsContact O-N 3.16Å; R440-L442 PolarHBondContact O-N 2.93Å
441	G	60.9	Low	81.2	Confident	8 Å²	8	27.3 Å²	27.3	8%	0.082	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-15	173.4	0	0	0	0	0	114.5	S439 D443	S439-G441 PolarHBondContact O-N 2.9Å; G441-D443 PolarHBondContact O-N 3.36Å; G441-D443 VanDerWaalsContact O-N 3.14Å
442	L	66.8	Low	81.3	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.			trans	-62.6	117.3	-179.6	-68.5	-178.8	0	0	0	112.2	E190 L384 L397 A438 S439 R440 I444 R468	E190-L442 HydrophobicContact CB-CD2 3.23Å; E190-L442 HydrophobicContact CB-CG 4.39Å; E190-L442 HydrophobicContact CG-CD2 4.01Å; L384-L442 HydrophobicContact CD2-CD1 3.47Å; L384-L442 VanDerWaalsContact CD2-CD1 3.47Å; L397-L442 HydrophobicContact CD1-CD1 3.9Å; L397-L442 HydrophobicContact CD1-CD2 3.86Å; L397-L442 HydrophobicContact CD2-CD1 3.83Å; L397-L442 HydrophobicContact CG-CD1 4.45Å; A438-L442 WeakPolarHBondContact O-CD1 3.37Å; S439-L442 PolarHBondContact O-N 3.29Å; R440-L442 PolarHBondContact O-N 2.93Å; L442-I444 HydrophobicContact CB-CD1 4.23Å; L442-I444 HydrophobicContact CB-CG1 3.93Å; L442-I444 HydrophobicContact CD1-CD1 4.38Å; L442-I444 PolarHBondContact O-N 2.93Å; L442-R468 PolarHBondContact O-NH1 3.31Å
443	D	64.5	Low	81.4	Confident	83 Å²	83	28.2 Å²	28.2	44%	0.444	15%	0.148	S	C	.	.			trans	-73.3	98.7	161	-167.9	-21.1	0	0	0	109.3	Q194 G441 R471	Q194-D443 VanDerWaalsContact NE2-N 3.16Å; Q194-D443 PolarHBondContact NE2-O 3.45Å; G441-D443 PolarHBondContact O-N 3.36Å; G441-D443 VanDerWaalsContact O-N 3.14Å; D443-R471 IonicContact OD1-CZ 2.91Å; D443-R471 IonicContact OD1-NH1 3.71Å; D443-R471 PolarHBondContact OD1-NH1 3.44Å; D443-R471 IonicContact OD1-NH2 2.6Å; D443-R471 PolarHBondContact OD1-NH2 3.22Å; D443-R471 IonicContact OD2-CZ 2.84Å; D443-R471 IonicContact OD2-NH1 2.8Å; D443-R471 PolarHBondContact OD2-NH1 3.42Å
444	I	74.5	Confident	81.2	Confident	5 Å²	5	29.8 Å²	29.8	3%	0.026	16%	0.157	C	C	.	.			trans	-105.2	116.4	170.7	-51.4	178.4	0	0	0	108.2	I358 L397 F400 L432 L442 V447 R471	I358-I444 HydrophobicContact CD1-CD1 3.89Å; L397-I444 HydrophobicContact CD2-CD1 3.87Å; L397-I444 HydrophobicContact CD2-CG1 4.16Å; F400-I444 HydrophobicContact CD1-CG2 3.45Å; F400-I444 VanDerWaalsContact CD1-CG2 3.45Å; F400-I444 HydrophobicContact CE1-CG2 3.39Å; L432-I444 HydrophobicContact CD2-CD1 3.48Å; L432-I444 VanDerWaalsContact CD2-CD1 3.48Å; L442-I444 HydrophobicContact CB-CD1 4.23Å; L442-I444 HydrophobicContact CB-CG1 3.93Å; L442-I444 HydrophobicContact CD1-CD1 4.38Å; L442-I444 PolarHBondContact O-N 2.93Å; I444-V447 HydrophobicContact CB-CG2 4.03Å; I444-V447 HydrophobicContact CG2-CG2 3.86Å; I444-R471 PolarHBondContact O-NH2 3.21Å; I444-R471 VanDerWaalsContact O-NH2 3.12Å
445	P	71.1	Confident	81.2	Confident	54 Å²	54	29.9 Å²	29.9	35%	0.351	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	154.8	179.6	28.9	-33.7	0	0	0	111.5	R356 V447	R356-P445 PolarHBondContact NH2-O 2.86Å; P445-V447 PolarHBondContact O-N 3.18Å
446	N	78.1	Confident	81.1	Confident	76 Å²	76	29.4 Å²	29.4	41%	0.406	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	35.7	168.1	-57.4	-26.5	0	0	0	115.7	R356 V403 Q448	R356-N446 VanDerWaalsContact CB-O 3.23Å; R356-N446 WeakPolarHBondContact CB-O 3.37Å; R356-N446 WeakPolarHBondContact CG-O 3.3Å; R356-N446 PolarHBondContact NE-O 3.23Å; V403-N446 WeakPolarHBondContact CG2-ND2 3.37Å; N446-Q448 PolarHBondContact O-N 2.87Å
447	V	87.7	Confident	81.3	Confident	9 Å²	9	34.7 Å²	34.7	6%	0.055	18%	0.179	C	C	.	.			trans	-78	117.2	171.7	-177.6	0	0	0	0	109.5	I358 F400 I444 P445 V450 R468 T469	I358-V447 HydrophobicContact CB-CG1 4.45Å; I358-V447 HydrophobicContact CD1-CB 4.34Å; I358-V447 HydrophobicContact CD1-CG1 3.82Å; I358-V447 HydrophobicContact CD1-CG2 3.53Å; I358-V447 HydrophobicContact CG1-CG1 3.8Å; I358-V447 HydrophobicContact CG1-CG2 4.13Å; F400-V447 HydrophobicContact CE1-CG2 4.15Å; I444-V447 HydrophobicContact CB-CG2 4.03Å; I444-V447 HydrophobicContact CG2-CG2 3.86Å; P445-V447 PolarHBondContact O-N 3.18Å; V447-V450 HydrophobicContact CG1-CG2 4.08Å; V447-R468 WeakPolarHBondContact CB-O 3.29Å; V447-T469 WeakPolarHBondContact O-CB 3.34Å; V447-T469 PolarHBondContact O-OG1 3.38Å
448	Q	89.5	Confident	82	Confident	104 Å²	104	32.2 Å²	32.2	49%	0.486	17%	0.168	S	C	.	.			trans	-89.1	-40.4	-179.6	-68.7	-179.3	-9.8	0	0	112.2	R356 N446 T469 R477	R356-Q448 HydrophobicContact CB-CB 4.07Å; R356-Q448 HydrophobicContact CB-CG 3.87Å; R356-Q448 HydrophobicContact CG-CG 4.33Å; R356-Q448 PolarHBondContact O-N 2.96Å; N446-Q448 PolarHBondContact O-N 2.87Å; Q448-T469 PolarHBondContact O-OG1 3.29Å; Q448-T469 VanDerWaalsContact O-OG1 3.13Å; Q448-R477 PolarHBondContact O-N 3.23Å
449	T	93.3	Very high	82.8	Confident	6 Å²	6	33.3 Å²	33.3	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.9	-175.6	-52.1	0	0	0	0	111.2	F353 R356 T357 I358 I451 R477	F353-T449 HydrophobicContact CB-CG2 4.26Å; F353-T449 HydrophobicContact CD1-CG2 3.62Å; F353-T449 WeakPolarHBondContact CD1-OG1 3.28Å; F353-T449 HydrophobicContact CD2-CG2 4.26Å; F353-T449 HydrophobicContact CE1-CG2 3.94Å; F353-T449 HydrophobicContact CG-CG2 3.79Å; F353-T449 HydrophobicContact CZ-CG2 4.39Å; R356-T449 PolarHBondContact O-N 2.99Å; T357-T449 CarbonylContact C-O 3.55Å; T357-T449 WeakPolarHBondContact CA-O 3.45Å; T357-T449 HydrophobicContact CG2-CG2 4.26Å; I358-T449 PolarHBondContact N-O 2.99Å; T449-I451 HydrophobicContact CG2-CG1 4.09Å; T449-R477 CarbonylContact C-O 3.29Å; T449-R477 VanDerWaalsContact CA-O 3.29Å; T449-R477 WeakPolarHBondContact CA-O 3.23Å; T449-R477 HydrophobicContact CG2-CB 4.29Å
450	V	94.2	Very high	83.4	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.8	167.7	173.2	0	0	0	0	108.6	I358 F360 V447 R468 T469 R477 A478 V479	I358-V450 CarbonylContact O-C 3.41Å; I358-V450 WeakPolarHBondContact O-CA 3.4Å; F360-V450 HydrophobicContact CD2-CG1 3.61Å; F360-V450 HydrophobicContact CE2-CG1 3.58Å; V447-V450 HydrophobicContact CG1-CG2 4.08Å; V450-R468 HydrophobicContact CG2-CB 4.07Å; V450-T469 HydrophobicContact CB-CG2 4.3Å; V450-T469 HydrophobicContact CG2-CG2 3.74Å; V450-R477 PolarHBondContact N-O 3.25Å; V450-A478 CarbonylContact O-C 3.57Å; V450-A478 VanDerWaalsContact O-CA 3.29Å; V450-A478 WeakPolarHBondContact O-CA 3.3Å; V450-V479 PolarHBondContact O-N 2.85Å
451	I	96.6	Very high	84.1	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.2	174.4	-57.4	-178	0	0	0	108.7	V345 L348 L349 F353 T357 I358 V359 F360 T449 V479 L481	V345-I451 HydrophobicContact CG2-CG2 4.29Å; L348-I451 HydrophobicContact CB-CD1 4.35Å; L349-I451 HydrophobicContact CD2-CD1 3.72Å; L349-I451 HydrophobicContact CG-CD1 4.19Å; F353-I451 HydrophobicContact CB-CD1 4.4Å; F353-I451 HydrophobicContact CD2-CD1 3.98Å; T357-I451 HydrophobicContact CG2-CD1 3.83Å; T357-I451 HydrophobicContact CG2-CG1 3.94Å; I358-I451 PolarHBondContact O-N 3.27Å; V359-I451 CarbonylContact C-O 3.59Å; V359-I451 WeakPolarHBondContact CA-O 3.32Å; V359-I451 HydrophobicContact CG1-CB 4.32Å; V359-I451 HydrophobicContact CG1-CG2 4.35Å; V359-I451 HydrophobicContact CG2-CB 4.28Å; F360-I451 PolarHBondContact N-O 3.4Å; T449-I451 HydrophobicContact CG2-CG1 4.09Å; I451-V479 CarbonylContact C-O 3.58Å; I451-V479 VanDerWaalsContact CA-O 3.26Å; I451-V479 WeakPolarHBondContact CA-O 3.48Å; I451-V479 HydrophobicContact CG1-CB 4.44Å; I451-L481 HydrophobicContact CG2-CD1 4.28Å
452	N	96.5	Very high	85.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	109.7	171.3	-64.4	-57.6	0	0	0	109.2	T454 R465 V479 S480 L481	N452-T454 VanDerWaalsContact C-N 3.25Å; N452-T454 PolarHBondContact O-N 3.11Å; N452-R465 WeakPolarHBondContact OD1-CD 3.5Å; N452-R465 PolarHBondContact OD1-NH1 3.18Å; N452-V479 PolarHBondContact N-O 3.46Å; N452-S480 PolarHBondContact ND2-OG 3.26Å; N452-L481 PolarHBondContact O-N 3.32Å
453	Y	96.2	Very high	86.2	Confident	21 Å²	21	36.5 Å²	36.5	8%	0.082	19%	0.189	C	C	.	.	S	Bend	trans	-61.5	-37.5	175.4	-178.2	-87	0	0	0	111.7	R341 R342 V345 F360 L361 P362 L481	R341-Y453 HydrophobicContact CB-CE1 4.33Å; R341-Y453 HydrophobicContact CB-CE2 3.89Å; R341-Y453 WeakPolarHBondContact CB-OH 3.39Å; R341-Y453 PolarHBondContact NH1-O 2.99Å; R342-Y453 HydrophobicContact CG-CE2 4.13Å; R342-Y453 WeakPolarHBondContact CG-OH 3.45Å; V345-Y453 HydrophobicContact CG2-CD2 3.84Å; V345-Y453 HydrophobicContact CG2-CE2 4.47Å; F360-Y453 WeakPolarHBondContact O-CB 3.44Å; F360-Y453 PolarHBondContact O-N 2.98Å; L361-Y453 HydrophobicContact CD2-CD2 4.19Å; L361-Y453 HydrophobicContact CD2-CG 4.3Å; P362-Y453 HydrophobicContact CG-CD1 4.32Å; Y453-L481 WeakPolarHBondContact O-CB 3.3Å
454	T	93	Very high	86.9	Confident	34 Å²	34	33.6 Å²	33.6	21%	0.209	17%	0.173	C	C	.	.	S	Bend	trans	-135.6	144	170.7	-52.8	0	0	0	0	108.7	R341 N452 R465	R341-T454 PolarHBondContact NH1-OG1 3.04Å; N452-T454 VanDerWaalsContact C-N 3.25Å; N452-T454 PolarHBondContact O-N 3.11Å; T454-R465 PolarHBondContact O-NH1 3.5Å
455	L	93	Very high	87.5	Confident	2 Å²	2	34 Å²	34	1%	0.01	17%	0.174	C	C	.	.			trans	-65	137.4	175.3	-156.8	67.2	0	0	0	109.6	F330 Y462 D486 V489 M490 I493	F330-L455 HydrophobicContact CE1-CD1 4.12Å; L455-Y462 HydrophobicContact CD1-CD2 3.87Å; L455-Y462 HydrophobicContact CD1-CE2 3.98Å; L455-D486 HydrophobicContact CB-CB 3.8Å; L455-D486 HydrophobicContact CD2-CB 3.91Å; L455-V489 HydrophobicContact CD2-CB 3.79Å; L455-V489 HydrophobicContact CD2-CG1 3.86Å; L455-V489 HydrophobicContact CG-CG1 4.26Å; L455-M490 HydrophobicContact CD2-CB 4.13Å; L455-I493 HydrophobicContact CD1-CD1 3.79Å; L455-I493 HydrophobicContact CD2-CD1 3.95Å; L455-I493 HydrophobicContact CG-CD1 4.16Å
456	P	90	Very high	88.3	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.026	16%	0.158	C	C	.	.			trans	-69.1	157.3	175.8	26.7	-30.6	0	0	0	111.2	T458 Q461 Y462	P456-T458 PolarHBondContact O-N 3.21Å; P456-Q461 HydrophobicContact CB-CB 3.57Å; P456-Q461 HydrophobicContact CG-CB 4.14Å; P456-Y462 VanDerWaalsContact CG-CA 3.45Å; P456-Y462 HydrophobicContact CG-CD2 4.27Å
457	Q	87.8	Confident	88.3	Confident	144 Å²	144	28.6 Å²	28.6	67%	0.673	15%	0.146	S	C	*	.	S	Bend	trans	-69.3	-21.8	-175	-65	-62.5	-36	0	0	113.6
458	T	85.7	Confident	88	Confident	61 Å²	61	28.9 Å²	28.9	37%	0.374	15%	0.146	S	C	.	.	S	Bend	trans	-129.2	146.9	-176.6	61.3	0	0	0	0	111.6	P456 K460 Q461 Y462	P456-T458 PolarHBondContact O-N 3.21Å; T458-K460 PolarHBondContact O-N 2.86Å; T458-Q461 PolarHBondContact O-N 3.39Å; T458-Q461 VanDerWaalsContact O-N 3.14Å; T458-Q461 WeakPolarHBondContact OG1-CB 3.36Å; T458-Q461 VanDerWaalsContact OG1-CD 3.3Å; T458-Q461 WeakPolarHBondContact OG1-CG 3.26Å; T458-Q461 PolarHBondContact OG1-N 3.38Å; T458-Y462 PolarHBondContact O-N 3.34Å; T458-Y462 VanDerWaalsContact O-N 3.07Å
459	M	83.5	Confident	87.6	Confident	23 Å²	23	24 Å²	24	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-57.7	-37.5	174.5	-178.6	56.3	177.8	0	0	111.9	T320 V322 Q461 Y462 V463 I493 Q496	T320-M459 HydrophobicContact CG2-CE 4.37Å; T320-M459 HydrophobicContact CG2-CG 3.91Å; V322-M459 HydrophobicContact CG2-CE 4.46Å; M459-Q461 PolarHBondContact O-N 3.28Å; M459-Y462 HydrophobicContact CE-CD1 4.39Å; M459-Y462 WeakPolarHBondContact O-CB 3.32Å; M459-Y462 PolarHBondContact O-N 3.22Å; M459-Y462 VanDerWaalsContact O-N 3.13Å; M459-Y462 HydrophobicContact SD-CD1 4.05Å; M459-V463 HydrophobicContact CE-CG2 3.82Å; M459-V463 HydrophobicContact CG-CG2 4.49Å; M459-V463 WeakPolarHBondContact O-CG2 3.43Å; M459-V463 PolarHBondContact O-N 3.19Å; M459-V463 HydrophobicContact SD-CG2 4.31Å; M459-I493 HydrophobicContact CE-CG1 4.34Å; M459-I493 HydrophobicContact SD-CB 4.19Å; M459-I493 HydrophobicContact SD-CG1 3.4Å; M459-I493 WeakPolarHBondContact SD-CG1 3.28Å; M459-Q496 HydrophobicContact CE-CB 3.95Å
460	K	79.3	Confident	86.6	Confident	57 Å²	57	24 Å²	24	25%	0.248	12%	0.124	C	C	.	.	H	α-helix	trans	-57.1	-47	175.6	177.6	173.1	172.9	175.9	0	112.1	D265 T295 T458 Y462 H464	D265-K460 VanDerWaalsContact CB-NZ 3.31Å; D265-K460 WeakPolarHBondContact OD2-CE 3.34Å; D265-K460 IonicContact OD2-NZ 3.58Å; D265-K460 PolarHBondContact OD2-NZ 2.65Å; T295-K460 HydrophobicContact CG2-CD 4.22Å; T295-K460 HydrophobicContact CG2-CG 4.12Å; T295-K460 WeakPolarHBondContact OG1-CE 3.4Å; T295-K460 PolarHBondContact OG1-NZ 3.36Å; T458-K460 PolarHBondContact O-N 2.86Å; K460-Y462 VanDerWaalsContact C-N 3.35Å; K460-H464 VanDerWaalsContact O-CG 3.25Å; K460-H464 PolarHBondContact O-N 3.43Å; K460-H464 VanDerWaalsContact O-N 3.11Å
461	Q	83.9	Confident	85.3	Confident	54 Å²	54	27 Å²	27	25%	0.252	14%	0.136	S	C	.	.	H	α-helix	trans	-64.8	-39.3	175.8	-74.4	169.8	0.6	0	0	111.6	P456 T458 M459 H464 R465	P456-Q461 HydrophobicContact CB-CB 3.57Å; P456-Q461 HydrophobicContact CG-CB 4.14Å; T458-Q461 PolarHBondContact O-N 3.39Å; T458-Q461 VanDerWaalsContact O-N 3.14Å; T458-Q461 WeakPolarHBondContact OG1-CB 3.36Å; T458-Q461 VanDerWaalsContact OG1-CD 3.3Å; T458-Q461 WeakPolarHBondContact OG1-CG 3.26Å; T458-Q461 PolarHBondContact OG1-N 3.38Å; M459-Q461 PolarHBondContact O-N 3.28Å; Q461-H464 PolarHBondContact O-N 3.04Å; Q461-R465 WeakPolarHBondContact O-CG 3.21Å; Q461-R465 PolarHBondContact O-N 2.89Å
462	Y	88.1	Confident	83.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.9	-53.4	175.3	-179.3	-101.4	0	0	0	112.1	V322 Q328 L455 P456 T458 M459 K460 H464 R465 V466 I493	V322-Y462 HydrophobicContact CG2-CE1 4.13Å; Q328-Y462 PolarHBondContact OE1-OH 3.17Å; L455-Y462 HydrophobicContact CD1-CD2 3.87Å; L455-Y462 HydrophobicContact CD1-CE2 3.98Å; P456-Y462 VanDerWaalsContact CG-CA 3.45Å; P456-Y462 HydrophobicContact CG-CD2 4.27Å; T458-Y462 PolarHBondContact O-N 3.34Å; T458-Y462 VanDerWaalsContact O-N 3.07Å; M459-Y462 HydrophobicContact CE-CD1 4.39Å; M459-Y462 WeakPolarHBondContact O-CB 3.32Å; M459-Y462 PolarHBondContact O-N 3.22Å; M459-Y462 VanDerWaalsContact O-N 3.13Å; M459-Y462 HydrophobicContact SD-CD1 4.05Å; K460-Y462 VanDerWaalsContact C-N 3.35Å; Y462-H464 PolarHBondContact O-N 3.36Å; Y462-R465 PolarHBondContact O-N 3.03Å; Y462-R465 VanDerWaalsContact O-N 3.07Å; Y462-V466 HydrophobicContact CD1-CG2 4.34Å; Y462-V466 HydrophobicContact CD2-CG1 4.23Å; Y462-V466 HydrophobicContact CE1-CG1 4.02Å; Y462-V466 HydrophobicContact CE1-CG2 4.07Å; Y462-V466 HydrophobicContact CE2-CG1 3.73Å; Y462-V466 WeakPolarHBondContact O-CG2 3.3Å; Y462-V466 PolarHBondContact O-N 3.2Å; Y462-I493 HydrophobicContact CD1-CD1 3.84Å; Y462-I493 HydrophobicContact CD1-CG1 3.8Å; Y462-I493 HydrophobicContact CD1-CG2 3.99Å; Y462-I493 HydrophobicContact CD2-CD1 3.61Å; Y462-I493 HydrophobicContact CD2-CG1 4.47Å; Y462-I493 HydrophobicContact CE1-CB 4.47Å; Y462-I493 HydrophobicContact CE1-CD1 4.11Å; Y462-I493 HydrophobicContact CE1-CG1 4.13Å; Y462-I493 HydrophobicContact CE1-CG2 3.47Å; Y462-I493 VanDerWaalsContact CE1-CG2 3.47Å; Y462-I493 HydrophobicContact CE2-CD1 3.87Å; Y462-I493 HydrophobicContact CG-CD1 3.58Å; Y462-I493 HydrophobicContact CG-CG1 3.99Å
463	V	82.8	Confident	81.7	Confident	29 Å²	29	40.2 Å²	40.2	18%	0.176	20%	0.202	C	C	.	.	H	α-helix	trans	-57.2	-39.4	177.7	175.3	0	0	0	0	111.1	T320 V322 M459 G467	T320-V463 HydrophobicContact CG2-CG2 4.23Å; T320-V463 WeakPolarHBondContact O-CG2 3.29Å; V322-V463 HydrophobicContact CG2-CG2 4.5Å; M459-V463 HydrophobicContact CE-CG2 3.82Å; M459-V463 HydrophobicContact CG-CG2 4.49Å; M459-V463 WeakPolarHBondContact O-CG2 3.43Å; M459-V463 PolarHBondContact O-N 3.19Å; M459-V463 HydrophobicContact SD-CG2 4.31Å; V463-G467 WeakPolarHBondContact O-CA 3.43Å; V463-G467 PolarHBondContact O-N 3.2Å
464	H	80	Confident	80.5	Confident	23 Å²	23	43 Å²	43	11%	0.106	22%	0.217	C	C	.	.	H	α-helix	trans	-67.6	-32.7	177.5	-71.2	176.2	0	0	0	114.4	D265 K460 Q461 Y462 R468	D265-H464 IonicContact OD2-CE1 2.65Å; K460-H464 VanDerWaalsContact O-CG 3.25Å; K460-H464 PolarHBondContact O-N 3.43Å; K460-H464 VanDerWaalsContact O-N 3.11Å; Q461-H464 PolarHBondContact O-N 3.04Å; Y462-H464 PolarHBondContact O-N 3.36Å; H464-R468 PolarHBondContact O-NE 2.9Å; H464-R468 PolarHBondContact O-NH2 3.45Å
465	R	88	Confident	79.9	Confident	12 Å²	12	45.7 Å²	45.7	5%	0.045	23%	0.234	C	C	.	.	H	α-helix	trans	-73.8	-52.9	175.5	-71.9	-171.5	-173.1	179.2	0.8	111.2	F360 D436 N452 T454 Q461 Y462 G467 R468	F360-R465 HydrophobicContact CD1-CG 4.47Å; F360-R465 HydrophobicContact CD2-CB 3.7Å; F360-R465 HydrophobicContact CD2-CG 3.72Å; F360-R465 HydrophobicContact CE2-CB 3.62Å; F360-R465 HydrophobicContact CE2-CG 3.87Å; F360-R465 HydrophobicContact CG-CG 4.04Å; F360-R465 HydrophobicContact CZ-CB 4.42Å; F360-R465 HydrophobicContact CZ-CG 4.35Å; D436-R465 WeakPolarHBondContact OD1-CG 3.35Å; D436-R465 IonicContact OD1-CZ 2.97Å; D436-R465 IonicContact OD1-NE 3.09Å; D436-R465 PolarHBondContact OD1-NE 2.93Å; D436-R465 IonicContact OD1-NH2 2.78Å; D436-R465 IonicContact OD2-CZ 3.79Å; D436-R465 IonicContact OD2-NE 3.65Å; D436-R465 PolarHBondContact OD2-NE 2.96Å; D436-R465 IonicContact OD2-NH2 2.64Å; D436-R465 PolarHBondContact OD2-NH2 3.44Å; N452-R465 WeakPolarHBondContact OD1-CD 3.5Å; N452-R465 PolarHBondContact OD1-NH1 3.18Å; T454-R465 PolarHBondContact O-NH1 3.5Å; Q461-R465 WeakPolarHBondContact O-CG 3.21Å; Q461-R465 PolarHBondContact O-N 2.89Å; Y462-R465 PolarHBondContact O-N 3.03Å; Y462-R465 VanDerWaalsContact O-N 3.07Å; R465-G467 VanDerWaalsContact C-N 3.28Å; R465-G467 PolarHBondContact O-N 3.02Å; R465-R468 WeakPolarHBondContact O-CB 3.45Å; R465-R468 VanDerWaalsContact O-CG 3.24Å; R465-R468 WeakPolarHBondContact O-CG 3.4Å; R465-R468 PolarHBondContact O-N 3.43Å; R465-R468 VanDerWaalsContact O-N 3.17Å
466	V	86.6	Confident	79.6	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-71.7	-25.2	-177.6	-55.7	0	0	0	0	112.6	V322 L326 Y462 R468 T469 A478	V322-V466 HydrophobicContact CG1-CG2 4.2Å; V322-V466 HydrophobicContact CG2-CG2 4.43Å; L326-V466 HydrophobicContact CD2-CB 3.64Å; L326-V466 HydrophobicContact CD2-CG1 4.36Å; L326-V466 HydrophobicContact CD2-CG2 3.74Å; Y462-V466 HydrophobicContact CD1-CG2 4.34Å; Y462-V466 HydrophobicContact CD2-CG1 4.23Å; Y462-V466 HydrophobicContact CE1-CG1 4.02Å; Y462-V466 HydrophobicContact CE1-CG2 4.07Å; Y462-V466 HydrophobicContact CE2-CG1 3.73Å; Y462-V466 WeakPolarHBondContact O-CG2 3.3Å; Y462-V466 PolarHBondContact O-N 3.2Å; V466-R468 PolarHBondContact O-N 2.86Å; V466-R468 VanDerWaalsContact O-N 3.1Å; V466-T469 VanDerWaalsContact O-CG2 3.28Å; V466-T469 WeakPolarHBondContact O-CG2 3.37Å; V466-T469 PolarHBondContact O-N 3.16Å; V466-T469 VanDerWaalsContact O-N 3.14Å; V466-A478 HydrophobicContact CB-CB 4.04Å; V466-A478 HydrophobicContact CG1-CB 3.63Å
467	G	79.3	Confident	79.6	Confident	16 Å²	16	51 Å²	51	17%	0.165	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-1.2	171.5	0	0	0	0	0	114.9	V463 R465 T469	V463-G467 WeakPolarHBondContact O-CA 3.43Å; V463-G467 PolarHBondContact O-N 3.2Å; R465-G467 VanDerWaalsContact C-N 3.28Å; R465-G467 PolarHBondContact O-N 3.02Å; G467-T469 VanDerWaalsContact C-N 3.29Å
468	R	81	Confident	79.9	Confident	14 Å²	14	44.2 Å²	44.2	5%	0.053	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.2	168.3	-59.8	-61.7	133.3	-171.7	-5.1	112.3	I358 F360 L442 V447 V450 H464 R465 V466	I358-R468 HydrophobicContact CD1-CB 4.26Å; F360-R468 HydrophobicContact CE2-CG 4.3Å; F360-R468 HydrophobicContact CZ-CG 3.96Å; L442-R468 PolarHBondContact O-NH1 3.31Å; V447-R468 WeakPolarHBondContact CB-O 3.29Å; V450-R468 HydrophobicContact CG2-CB 4.07Å; H464-R468 PolarHBondContact O-NE 2.9Å; H464-R468 PolarHBondContact O-NH2 3.45Å; R465-R468 WeakPolarHBondContact O-CB 3.45Å; R465-R468 VanDerWaalsContact O-CG 3.24Å; R465-R468 WeakPolarHBondContact O-CG 3.4Å; R465-R468 PolarHBondContact O-N 3.43Å; R465-R468 VanDerWaalsContact O-N 3.17Å; V466-R468 PolarHBondContact O-N 2.86Å; V466-R468 VanDerWaalsContact O-N 3.1Å
469	T	81.7	Confident	80.4	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.018	20%	0.204	C	C	.	.	S	Bend	trans	-109.3	-176.7	173.2	-170.9	0	0	0	0	110.7	L326 V447 Q448 V450 V466 G467 R471 G476	L326-T469 HydrophobicContact CD1-CG2 3.36Å; V447-T469 WeakPolarHBondContact O-CB 3.34Å; V447-T469 PolarHBondContact O-OG1 3.38Å; Q448-T469 PolarHBondContact O-OG1 3.29Å; Q448-T469 VanDerWaalsContact O-OG1 3.13Å; V450-T469 HydrophobicContact CB-CG2 4.3Å; V450-T469 HydrophobicContact CG2-CG2 3.74Å; V466-T469 VanDerWaalsContact O-CG2 3.28Å; V466-T469 WeakPolarHBondContact O-CG2 3.37Å; V466-T469 PolarHBondContact O-N 3.16Å; V466-T469 VanDerWaalsContact O-N 3.14Å; G467-T469 VanDerWaalsContact C-N 3.29Å; T469-R471 PolarHBondContact O-N 2.86Å; T469-G476 WeakPolarHBondContact OG1-CA 3.34Å
470	A	70.6	Confident	81	Confident	5 Å²	5	40.2 Å²	40.2	4%	0.041	20%	0.198	C	C	.	.			trans	53.5	48.4	179	0	0	0	0	0	114.5	A323 L326 N474	A323-A470 HydrophobicContact CB-CB 3.74Å; A323-A470 VanDerWaalsContact CB-O 3.3Å; A323-A470 WeakPolarHBondContact CB-O 3.4Å; L326-A470 HydrophobicContact CB-CB 3.93Å; L326-A470 HydrophobicContact CD1-CB 3.69Å; L326-A470 HydrophobicContact CG-CB 4.45Å; A470-N474 CarbonylContact C-O 3.49Å; A470-N474 VanDerWaalsContact CA-O 3.29Å; A470-N474 WeakPolarHBondContact CA-O 3.19Å
471	R	67.2	Low	81.8	Confident	64 Å²	64	37.5 Å²	37.5	24%	0.242	19%	0.186	C	C	.	.			trans	-75.1	171.6	173.7	-66.5	-169.2	-175.5	-164.5	14.2	111.7	D443 I444 T469 M473 N474	D443-R471 IonicContact OD1-CZ 2.91Å; D443-R471 IonicContact OD1-NH1 3.71Å; D443-R471 PolarHBondContact OD1-NH1 3.44Å; D443-R471 IonicContact OD1-NH2 2.6Å; D443-R471 PolarHBondContact OD1-NH2 3.22Å; D443-R471 IonicContact OD2-CZ 2.84Å; D443-R471 IonicContact OD2-NH1 2.8Å; D443-R471 PolarHBondContact OD2-NH1 3.42Å; I444-R471 PolarHBondContact O-NH2 3.21Å; I444-R471 VanDerWaalsContact O-NH2 3.12Å; T469-R471 PolarHBondContact O-N 2.86Å; R471-M473 PolarHBondContact O-N 2.89Å; R471-N474 PolarHBondContact O-N 3.25Å
472	I	59.3	Low	82.2	Confident	102 Å²	102	35 Å²	35	52%	0.523	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-35.3	-40.7	-165.3	-61.9	171.7	0	0	0	115.6	T130	T130-I472 HydrophobicContact CG2-CD1 3.99Å
473	M	59.6	Low	82.4	Confident	175 Å²	175	35.2 Å²	35.2	86%	0.862	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113	-7.6	-178.9	-58	-161	-64.1	0	0	115.6	R471	R471-M473 PolarHBondContact O-N 2.89Å
474	N	70	Confident	82.7	Confident	78 Å²	78	37.6 Å²	37.6	42%	0.417	19%	0.186	S	C	.	.			trans	-108.5	136.7	-171.1	-67.7	-9.7	0	0	0	111	A470 R471	A470-N474 CarbonylContact C-O 3.49Å; A470-N474 VanDerWaalsContact CA-O 3.29Å; A470-N474 WeakPolarHBondContact CA-O 3.19Å; R471-N474 PolarHBondContact O-N 3.25Å
475	V	80.9	Confident	83.1	Confident	91 Å²	91	44 Å²	44	55%	0.552	22%	0.221	S	C	*	.			trans	-73.6	134	166.5	-177.5	0	0	0	0	108.5
476	G	85.9	Confident	83.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	152.1	177.8	0	0	0	0	0	112	C325 L326 H327 T469	C325-G476 PolarHBondContact O-N 3.42Å; C325-G476 VanDerWaalsContact O-N 3.12Å; L326-G476 WeakPolarHBondContact CA-O 3.4Å; H327-G476 PolarHBondContact N-O 3.48Å; T469-G476 WeakPolarHBondContact OG1-CA 3.34Å
477	R	91.2	Very high	83.3	Confident	119 Å²	119	48.1 Å²	48.1	45%	0.449	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.7	172	-60	-176.7	-163	172.3	7.6	110.2	H327 Q448 T449 V450	H327-R477 HydrophobicContact CB-CG 4.32Å; H327-R477 CarbonylContact O-C 3.58Å; H327-R477 WeakPolarHBondContact O-CA 3.23Å; Q448-R477 PolarHBondContact O-N 3.23Å; T449-R477 CarbonylContact C-O 3.29Å; T449-R477 VanDerWaalsContact CA-O 3.29Å; T449-R477 WeakPolarHBondContact CA-O 3.23Å; T449-R477 HydrophobicContact CG2-CB 4.29Å; V450-R477 PolarHBondContact N-O 3.25Å
478	A	93.2	Very high	83.8	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	113.7	174	0	0	0	0	0	109.9	L326 H327 E329 V450 V466	L326-A478 HydrophobicContact CD1-CB 4.04Å; L326-A478 HydrophobicContact CD2-CB 3.79Å; L326-A478 HydrophobicContact CG-CB 4.17Å; H327-A478 PolarHBondContact O-N 3.4Å; E329-A478 PolarHBondContact N-O 3.3Å; V450-A478 CarbonylContact O-C 3.57Å; V450-A478 VanDerWaalsContact O-CA 3.29Å; V450-A478 WeakPolarHBondContact O-CA 3.3Å; V466-A478 HydrophobicContact CB-CB 4.04Å; V466-A478 HydrophobicContact CG1-CB 3.63Å
479	V	95.8	Very high	84.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.1	175.8	-172	0	0	0	0	109.1	E329 V331 L348 F353 V450 I451 N452	E329-V479 HydrophobicContact CB-CG1 4.46Å; E329-V479 HydrophobicContact CB-CG2 4.23Å; E329-V479 CarbonylContact O-C 3.57Å; E329-V479 WeakPolarHBondContact O-CA 3.44Å; V331-V479 HydrophobicContact CG2-CG1 3.86Å; L348-V479 HydrophobicContact CD1-CG1 3.9Å; F353-V479 HydrophobicContact CE2-CG2 3.6Å; F353-V479 HydrophobicContact CZ-CG2 3.63Å; V450-V479 PolarHBondContact O-N 2.85Å; I451-V479 CarbonylContact C-O 3.58Å; I451-V479 VanDerWaalsContact CA-O 3.26Å; I451-V479 WeakPolarHBondContact CA-O 3.48Å; I451-V479 HydrophobicContact CG1-CB 4.44Å; N452-V479 PolarHBondContact N-O 3.46Å
480	S	95.9	Very high	84.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.6	-178.3	-53.3	0	0	0	0	111	E329 F330 V331 N452	E329-S480 PolarHBondContact O-N 3.43Å; F330-S480 WeakPolarHBondContact CA-O 3.49Å; V331-S480 PolarHBondContact N-O 2.96Å; N452-S480 PolarHBondContact ND2-OG 3.26Å
481	L	96.2	Very high	85.4	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.9	173.7	-78.7	63.8	0	0	0	108.8	V331 I333 R341 I344 V345 L348 I451 N452 Y453	V331-L481 HydrophobicContact CB-CD1 4.5Å; V331-L481 HydrophobicContact CB-CG 4.38Å; V331-L481 WeakPolarHBondContact O-CA 3.24Å; I333-L481 HydrophobicContact CD1-CB 3.87Å; I333-L481 HydrophobicContact CD1-CD2 3.77Å; I333-L481 HydrophobicContact CD1-CG 3.9Å; R341-L481 HydrophobicContact CB-CD2 4.27Å; R341-L481 HydrophobicContact CG-CD2 4.19Å; I344-L481 HydrophobicContact CB-CD2 4.33Å; I344-L481 HydrophobicContact CG2-CD1 4.18Å; I344-L481 HydrophobicContact CG2-CD2 3.77Å; I344-L481 HydrophobicContact CG2-CG 3.99Å; V345-L481 HydrophobicContact CG2-CD1 4.12Å; V345-L481 HydrophobicContact CG2-CD2 3.56Å; L348-L481 HydrophobicContact CD1-CD1 4.31Å; I451-L481 HydrophobicContact CG2-CD1 4.28Å; N452-L481 PolarHBondContact O-N 3.32Å; Y453-L481 WeakPolarHBondContact O-CB 3.3Å
482	V	94.2	Very high	86.4	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.018	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	113.7	-172.9	-174.5	0	0	0	0	109.4	F330 V331 I333 D486 M490	F330-V482 HydrophobicContact CB-CG2 4.15Å; F330-V482 HydrophobicContact CD1-CG2 3.32Å; F330-V482 HydrophobicContact CE1-CG2 4Å; F330-V482 HydrophobicContact CG-CG2 4.02Å; V331-V482 PolarHBondContact O-N 3.29Å; I333-V482 PolarHBondContact N-O 3.31Å; V482-D486 HydrophobicContact CG1-CB 3.77Å; V482-M490 HydrophobicContact CB-SD 4.49Å; V482-M490 HydrophobicContact CG1-CB 4.07Å; V482-M490 HydrophobicContact CG1-CG 4.22Å; V482-M490 HydrophobicContact CG1-SD 3.79Å; V482-M490 HydrophobicContact CG2-CG 4.36Å; V482-M490 HydrophobicContact CG2-SD 4.38Å
483	G	91.9	Very high	87.7	Confident	3 Å²	3	61 Å²	61	3%	0.031	29%	0.29	C	S	.	.			trans	-85.1	-170.4	169.2	0	0	0	0	0	112.4	E338 D486	E338-G483 WeakPolarHBondContact OE1-CA 3.5Å; G483-D486 PolarHBondContact N-OD2 3.13Å; G483-D486 VanDerWaalsContact N-OD2 3.08Å
484	E	88.5	Confident	89	Confident	80 Å²	80	57.2 Å²	57.2	37%	0.374	27%	0.271	S	S	.	.	S	Bend	trans	-72.1	-38.1	177.4	-71.7	-156	153.2	0	0	114.2	P335 D486 R487	P335-E484 WeakPolarHBondContact CD-OE1 3.25Å; P335-E484 HydrophobicContact CG-CB 4.42Å; P335-E484 HydrophobicContact CG-CG 3.44Å; P335-E484 VanDerWaalsContact CG-CG 3.44Å; P335-E484 VanDerWaalsContact CG-OE1 3.22Å; P335-E484 WeakPolarHBondContact CG-OE1 3.41Å; P335-E484 WeakPolarHBondContact CG-OE2 3.2Å; E484-D486 PolarHBondContact O-N 3.37Å; E484-R487 VanDerWaalsContact CD-NH2 3.33Å; E484-R487 WeakPolarHBondContact O-CB 3.4Å; E484-R487 VanDerWaalsContact O-CG 3.23Å; E484-R487 WeakPolarHBondContact O-CG 3.27Å; E484-R487 PolarHBondContact O-N 3.32Å; E484-R487 IonicContact OE1-CZ 3.58Å; E484-R487 IonicContact OE1-NH1 3.07Å; E484-R487 IonicContact OE1-NH2 3.74Å; E484-R487 PolarHBondContact OE1-NH2 3.33Å
485	D	88.9	Confident	89.7	Confident	158 Å²	158	61 Å²	61	85%	0.845	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.6	179.1	-60.7	-34.8	0	0	0	111.8	R487	D485-R487 VanDerWaalsContact C-N 3.26Å; D485-R487 PolarHBondContact O-N 3.35Å
486	D	90.2	Very high	89.6	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.043	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-9.5	-177.5	-63.3	-36.1	0	0	0	113.1	R341 L455 V482 G483 E484 K488 V489 M490	R341-D486 IonicContact NH2-OD2 3Å; L455-D486 HydrophobicContact CB-CB 3.8Å; L455-D486 HydrophobicContact CD2-CB 3.91Å; V482-D486 HydrophobicContact CG1-CB 3.77Å; G483-D486 PolarHBondContact N-OD2 3.13Å; G483-D486 VanDerWaalsContact N-OD2 3.08Å; E484-D486 PolarHBondContact O-N 3.37Å; D486-K488 VanDerWaalsContact C-N 3.27Å; D486-K488 PolarHBondContact O-N 3.1Å; D486-V489 PolarHBondContact O-N 2.97Å; D486-V489 VanDerWaalsContact O-N 3.15Å; D486-M490 WeakPolarHBondContact O-CB 3.2Å; D486-M490 PolarHBondContact O-N 3.09Å
487	R	87.7	Confident	89.2	Confident	92 Å²	92	60.6 Å²	60.6	35%	0.347	28%	0.279	S	S	.	.	H	α-helix	trans	-57.4	-35.5	-173.7	-77	178.1	179.7	170.5	8.4	113.8	R332 E484 D485 K491	R332-R487 VanDerWaalsContact NH2-NH2 3.15Å; E484-R487 VanDerWaalsContact CD-NH2 3.33Å; E484-R487 WeakPolarHBondContact O-CB 3.4Å; E484-R487 VanDerWaalsContact O-CG 3.23Å; E484-R487 WeakPolarHBondContact O-CG 3.27Å; E484-R487 PolarHBondContact O-N 3.32Å; E484-R487 IonicContact OE1-CZ 3.58Å; E484-R487 IonicContact OE1-NH1 3.07Å; E484-R487 IonicContact OE1-NH2 3.74Å; E484-R487 PolarHBondContact OE1-NH2 3.33Å; D485-R487 VanDerWaalsContact C-N 3.26Å; D485-R487 PolarHBondContact O-N 3.35Å; R487-K491 WeakPolarHBondContact O-CG 3.37Å; R487-K491 PolarHBondContact O-N 3.14Å; R487-K491 VanDerWaalsContact O-N 3.13Å
488	K	90.1	Very high	88.3	Confident	180 Å²	180	57.8 Å²	57.8	78%	0.783	28%	0.277	S	S	*	.	H	α-helix	trans	-65.8	-48.2	179.5	-68.7	179.3	-176.2	172.2	0	110.6	D486 K491 E492	D486-K488 VanDerWaalsContact C-N 3.27Å; D486-K488 PolarHBondContact O-N 3.1Å; K488-K491 PolarHBondContact O-N 3.26Å; K488-E492 PolarHBondContact O-N 3.42Å
489	V	89.8	Confident	87.4	Confident	24 Å²	24	63.3 Å²	63.3	15%	0.145	30%	0.298	C	S	.	.	H	α-helix	trans	-69	-40.1	-180	-176.4	0	0	0	0	110.6	L455 D486 K491 E492 I493	L455-V489 HydrophobicContact CD2-CB 3.79Å; L455-V489 HydrophobicContact CD2-CG1 3.86Å; L455-V489 HydrophobicContact CG-CG1 4.26Å; D486-V489 PolarHBondContact O-N 2.97Å; D486-V489 VanDerWaalsContact O-N 3.15Å; V489-K491 VanDerWaalsContact C-N 3.35Å; V489-K491 PolarHBondContact O-N 2.95Å; V489-E492 PolarHBondContact O-N 2.68Å; V489-E492 VanDerWaalsContact O-N 3.15Å; V489-I493 HydrophobicContact CG1-CD1 3.91Å; V489-I493 HydrophobicContact CG1-CG1 4.35Å; V489-I493 WeakPolarHBondContact O-CG1 3.3Å; V489-I493 PolarHBondContact O-N 3.23Å
490	M	89.4	Confident	86.7	Confident	44 Å²	44	69 Å²	69	22%	0.217	34%	0.336	C	S	.	.	H	α-helix	trans	-55.6	-47.4	174.9	-176.3	-160	-176.9	0	0	111.8	F330 L455 V482 D486 E492 I493 M494	F330-M490 HydrophobicContact CB-CE 3.91Å; F330-M490 HydrophobicContact CD1-CG 4.47Å; F330-M490 HydrophobicContact CD2-CE 3.66Å; F330-M490 HydrophobicContact CD2-CG 4.26Å; F330-M490 HydrophobicContact CE1-CG 4.32Å; F330-M490 HydrophobicContact CE2-CE 4.32Å; F330-M490 HydrophobicContact CE2-CG 4.08Å; F330-M490 HydrophobicContact CG-CE 3.84Å; F330-M490 HydrophobicContact CG-CG 4.47Å; F330-M490 HydrophobicContact CZ-CG 4.14Å; L455-M490 HydrophobicContact CD2-CB 4.13Å; V482-M490 HydrophobicContact CB-SD 4.49Å; V482-M490 HydrophobicContact CG1-CB 4.07Å; V482-M490 HydrophobicContact CG1-CG 4.22Å; V482-M490 HydrophobicContact CG1-SD 3.79Å; V482-M490 HydrophobicContact CG2-CG 4.36Å; V482-M490 HydrophobicContact CG2-SD 4.38Å; D486-M490 WeakPolarHBondContact O-CB 3.2Å; D486-M490 PolarHBondContact O-N 3.09Å; M490-E492 VanDerWaalsContact C-N 3.31Å; M490-E492 PolarHBondContact O-N 3.12Å; M490-I493 PolarHBondContact O-N 3.16Å; M490-M494 HydrophobicContact CE-SD 3.84Å; M490-M494 HydrophobicContact CG-SD 4.24Å; M490-M494 WeakPolarHBondContact O-CG 3.29Å; M490-M494 PolarHBondContact O-N 3.48Å; M490-M494 HydrophobicContact SD-SD 4.49Å
491	K	88.9	Confident	86.2	Confident	153 Å²	153	70.4 Å²	70.4	67%	0.665	34%	0.344	S	S	*	.	H	α-helix	trans	-61.6	-39.3	177.6	-75.9	176.6	-179.6	179	0	112.3	R487 K488 V489 M494 K495	R487-K491 WeakPolarHBondContact O-CG 3.37Å; R487-K491 PolarHBondContact O-N 3.14Å; R487-K491 VanDerWaalsContact O-N 3.13Å; K488-K491 PolarHBondContact O-N 3.26Å; V489-K491 VanDerWaalsContact C-N 3.35Å; V489-K491 PolarHBondContact O-N 2.95Å; K491-M494 PolarHBondContact O-N 3.11Å; K491-K495 WeakPolarHBondContact O-CB 3.32Å; K491-K495 PolarHBondContact O-N 3.36Å
492	E	87.6	Confident	85.9	Confident	73 Å²	73	77.2 Å²	77.2	34%	0.341	37%	0.373	S	S	.	.	H	α-helix	trans	-67.6	-41.4	177.6	-168.8	59.6	-157.3	0	0	111.5	K488 V489 M490 K495 Q496	K488-E492 PolarHBondContact O-N 3.42Å; V489-E492 PolarHBondContact O-N 2.68Å; V489-E492 VanDerWaalsContact O-N 3.15Å; M490-E492 VanDerWaalsContact C-N 3.31Å; M490-E492 PolarHBondContact O-N 3.12Å; E492-K495 PolarHBondContact O-N 2.6Å; E492-Q496 WeakPolarHBondContact O-CG 3.39Å; E492-Q496 PolarHBondContact O-N 2.9Å; E492-Q496 VanDerWaalsContact O-N 3.12Å; E492-Q496 PolarHBondContact OE1-NE2 3.33Å
493	I	87.3	Confident	85.7	Confident	0 Å²	0	81.3 Å²	81.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-59.9	-49.6	173.7	-66.3	159.6	0	0	0	110.4	F330 L455 M459 Y462 V489 M490 K495 Q496 A497	F330-I493 HydrophobicContact CZ-CB 4.34Å; F330-I493 HydrophobicContact CZ-CD1 4.38Å; F330-I493 HydrophobicContact CZ-CG2 3.91Å; L455-I493 HydrophobicContact CD1-CD1 3.79Å; L455-I493 HydrophobicContact CD2-CD1 3.95Å; L455-I493 HydrophobicContact CG-CD1 4.16Å; M459-I493 HydrophobicContact CE-CG1 4.34Å; M459-I493 HydrophobicContact SD-CB 4.19Å; M459-I493 HydrophobicContact SD-CG1 3.4Å; M459-I493 WeakPolarHBondContact SD-CG1 3.28Å; Y462-I493 HydrophobicContact CD1-CD1 3.84Å; Y462-I493 HydrophobicContact CD1-CG1 3.8Å; Y462-I493 HydrophobicContact CD1-CG2 3.99Å; Y462-I493 HydrophobicContact CD2-CD1 3.61Å; Y462-I493 HydrophobicContact CD2-CG1 4.47Å; Y462-I493 HydrophobicContact CE1-CB 4.47Å; Y462-I493 HydrophobicContact CE1-CD1 4.11Å; Y462-I493 HydrophobicContact CE1-CG1 4.13Å; Y462-I493 HydrophobicContact CE1-CG2 3.47Å; Y462-I493 VanDerWaalsContact CE1-CG2 3.47Å; Y462-I493 HydrophobicContact CE2-CD1 3.87Å; Y462-I493 HydrophobicContact CG-CD1 3.58Å; Y462-I493 HydrophobicContact CG-CG1 3.99Å; V489-I493 HydrophobicContact CG1-CD1 3.91Å; V489-I493 HydrophobicContact CG1-CG1 4.35Å; V489-I493 WeakPolarHBondContact O-CG1 3.3Å; V489-I493 PolarHBondContact O-N 3.23Å; M490-I493 PolarHBondContact O-N 3.16Å; I493-K495 PolarHBondContact O-N 2.72Å; I493-Q496 CarbonylContact O-C 3.49Å; I493-Q496 PolarHBondContact O-N 3.43Å; I493-Q496 VanDerWaalsContact O-N 3.13Å; I493-A497 WeakPolarHBondContact O-CB 3.27Å; I493-A497 PolarHBondContact O-N 3.1Å
494	M	86.5	Confident	85.8	Confident	96 Å²	96	84.2 Å²	84.2	47%	0.473	42%	0.418	S	S	.	.	H	α-helix	trans	-60.1	-33.5	179.7	-71.2	178.8	73.9	0	0	112.5	F330 M490 K491 V501	F330-M494 HydrophobicContact CE2-CG 3.93Å; M490-M494 HydrophobicContact CE-SD 3.84Å; M490-M494 HydrophobicContact CG-SD 4.24Å; M490-M494 WeakPolarHBondContact O-CG 3.29Å; M490-M494 PolarHBondContact O-N 3.48Å; M490-M494 HydrophobicContact SD-SD 4.49Å; K491-M494 PolarHBondContact O-N 3.11Å; M494-V501 HydrophobicContact CG-CG2 4.4Å
495	K	84.5	Confident	86	Confident	157 Å²	157	86.9 Å²	86.9	68%	0.683	44%	0.439	S	S	*	.	H	α-helix	trans	-71.6	-33.6	177.6	-175.3	-174.1	173.6	-165.3	0	112.9	K491 E492 I493	K491-K495 WeakPolarHBondContact O-CB 3.32Å; K491-K495 PolarHBondContact O-N 3.36Å; E492-K495 PolarHBondContact O-N 2.6Å; I493-K495 PolarHBondContact O-N 2.72Å
496	Q	78.6	Confident	86.1	Confident	63 Å²	63	80.9 Å²	80.9	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-96	-9.4	-178.3	-64.6	-174.3	13.3	0	0	113.4	T320 M459 E492 I493	T320-Q496 VanDerWaalsContact CB-OE1 3.28Å; T320-Q496 VanDerWaalsContact CG2-OE1 3.26Å; M459-Q496 HydrophobicContact CE-CB 3.95Å; E492-Q496 WeakPolarHBondContact O-CG 3.39Å; E492-Q496 PolarHBondContact O-N 2.9Å; E492-Q496 VanDerWaalsContact O-N 3.12Å; E492-Q496 PolarHBondContact OE1-NE2 3.33Å; I493-Q496 CarbonylContact O-C 3.49Å; I493-Q496 PolarHBondContact O-N 3.43Å; I493-Q496 VanDerWaalsContact O-N 3.13Å
497	A	77	Confident	86.3	Confident	19 Å²	19	83.1 Å²	83.1	16%	0.157	43%	0.427	C	S	.	.			trans	-65.9	130.8	-179.6	0	0	0	0	0	110.6	I493 Y499 V501	I493-A497 WeakPolarHBondContact O-CB 3.27Å; I493-A497 PolarHBondContact O-N 3.1Å; A497-Y499 PolarHBondContact O-N 3.35Å; A497-V501 HydrophobicContact CB-CG2 3.82Å
498	P	71.7	Confident	86.5	Confident	61 Å²	61	81.9 Å²	81.9	40%	0.396	43%	0.432	S	S	.	.	S	Bend	trans	-71.3	-19.7	178.9	25	-30.8	0	0	0	113.5
499	Y	75.7	Confident	86.7	Confident	116 Å²	116	78.9 Å²	78.9	46%	0.455	42%	0.424	S	S	.	.	S	Bend	trans	-130.2	153.2	-178.8	-62.5	-80.1	0	0	0	110.2	Q324 A497 V501	Q324-Y499 HydrophobicContact CB-CE2 4.16Å; Q324-Y499 WeakPolarHBondContact O-CD2 3.31Å; Q324-Y499 WeakPolarHBondContact O-CE2 3.47Å; A497-Y499 PolarHBondContact O-N 3.35Å; Y499-V501 PolarHBondContact O-N 2.89Å
500	P	79.5	Confident	86.9	Confident	120 Å²	120	78.8 Å²	78.8	78%	0.779	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-58.9	131.8	177.9	24.4	-34.3	0	0	0	110.8
501	V	86.6	Confident	87.1	Confident	29 Å²	29	77.5 Å²	77.5	18%	0.176	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-87	133	179	-170.8	0	0	0	0	109.8	Q328 F330 M494 A497 Y499	Q328-V501 HydrophobicContact CB-CB 4.35Å; Q328-V501 HydrophobicContact CB-CG1 3.59Å; Q328-V501 HydrophobicContact CB-CG2 4.13Å; Q328-V501 WeakPolarHBondContact O-CG1 3.24Å; F330-V501 HydrophobicContact CD2-CB 4.13Å; F330-V501 HydrophobicContact CD2-CG1 3.22Å; F330-V501 HydrophobicContact CE2-CB 4Å; F330-V501 HydrophobicContact CE2-CG1 3.29Å; F330-V501 HydrophobicContact CE2-CG2 4.2Å; F330-V501 HydrophobicContact CG-CG1 4.21Å; F330-V501 HydrophobicContact CZ-CG1 4.3Å; M494-V501 HydrophobicContact CG-CG2 4.4Å; A497-V501 HydrophobicContact CB-CG2 3.82Å; Y499-V501 PolarHBondContact O-N 2.89Å
502	K	89.4	Confident	87.4	Confident	142 Å²	142	72.7 Å²	72.7	62%	0.617	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	145.1	-178.6	-63.5	-174.8	178.3	-173.6	0	111.3	Q328 E329 F330	Q328-K502 PolarHBondContact O-N 3.13Å; E329-K502 CarbonylContact C-O 3.58Å; E329-K502 VanDerWaalsContact CA-O 3.25Å; E329-K502 WeakPolarHBondContact CA-O 3.4Å; E329-K502 HydrophobicContact CG-CB 4.41Å; F330-K502 PolarHBondContact N-O 3.46Å
503	A	90.7	Very high	87.7	Confident	90 Å²	90	72.8 Å²	72.8	74%	0.744	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.6	168.9	0	0	0	0	0	109.2	F330	F330-A503 WeakPolarHBondContact O-CA 3.39Å
504	R	93	Very high	88.1	Confident	64 Å²	64	73.9 Å²	73.9	24%	0.242	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-97.3	123.6	173.6	175.6	178.7	-67.1	-81.8	-4.3	109.1	E329 F330 V331 I506	E329-R504 VanDerWaalsContact CD-NH2 3.27Å; E329-R504 IonicContact OE1-NH2 4Å; E329-R504 PolarHBondContact OE1-NH2 3.15Å; E329-R504 IonicContact OE2-CZ 3.65Å; E329-R504 IonicContact OE2-NE 3.73Å; E329-R504 PolarHBondContact OE2-NE 3.19Å; E329-R504 IonicContact OE2-NH2 2.95Å; E329-R504 PolarHBondContact OE2-NH2 3.4Å; F330-R504 PolarHBondContact O-N 3.17Å; V331-R504 HydrophobicContact CG2-CB 3.91Å; V331-R504 HydrophobicContact CG2-CG 4.1Å; R504-I506 HydrophobicContact CG-CG1 4.41Å
505	V	92.2	Very high	88.5	Confident	136 Å²	136	71.9 Å²	71.9	82%	0.824	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-102.8	134.4	172.1	-176.6	0	0	0	0	108.4
506	I	92.2	Very high	89	Confident	32 Å²	32	68.3 Å²	68.3	16%	0.164	40%	0.401	C	S	.	.			trans	-111.4	130.4	174.7	-58.5	170.5	0	0	0	106.5	V331 I344 L348 R504 V510 I511	V331-I506 HydrophobicContact CG1-CD1 4.1Å; V331-I506 HydrophobicContact CG2-CD1 4.42Å; I344-I506 HydrophobicContact CB-CD1 4.23Å; I344-I506 HydrophobicContact CG1-CD1 4.19Å; I344-I506 HydrophobicContact CG2-CD1 3.52Å; L348-I506 HydrophobicContact CD1-CD1 4.36Å; L348-I506 HydrophobicContact CD2-CD1 3.88Å; L348-I506 HydrophobicContact CG-CD1 3.98Å; R504-I506 HydrophobicContact CG-CG1 4.41Å; I506-V510 HydrophobicContact CG2-CB 4.37Å; I506-V510 HydrophobicContact CG2-CG1 4.33Å; I506-I511 HydrophobicContact CB-CD1 4.34Å; I506-I511 HydrophobicContact CB-CG1 4.43Å; I506-I511 HydrophobicContact CG2-CD1 4.28Å; I506-I511 HydrophobicContact CG2-CG1 3.83Å
507	A	93.4	Very high	89.6	Confident	55 Å²	55	68.8 Å²	68.8	46%	0.455	40%	0.402	S	S	.	.			trans	-59.2	139.8	-179.4	0	0	0	0	0	111.1	D509 V510 I511	A507-D509 PolarHBondContact O-N 3Å; A507-V510 HydrophobicContact CB-CG2 4.04Å; A507-V510 PolarHBondContact O-N 2.98Å; A507-I511 PolarHBondContact O-N 3.2Å
508	S	91.4	Very high	90.4	Very high	66 Å²	66	68.3 Å²	68.3	46%	0.462	40%	0.397	S	S	.	.	H	α-helix	trans	-56.5	-37.2	179.7	44.2	0	0	0	0	112.4	V510 I511 A512	S508-V510 VanDerWaalsContact C-N 3.33Å; S508-V510 PolarHBondContact O-N 2.8Å; S508-I511 WeakPolarHBondContact O-CB 3.47Å; S508-I511 PolarHBondContact O-N 3.29Å; S508-A512 PolarHBondContact O-N 3.17Å
509	D	94.7	Very high	91.5	Very high	116 Å²	116	69.9 Å²	69.9	62%	0.62	41%	0.405	S	S	*	.	H	α-helix	trans	-69.4	-38.3	-174.5	-49.1	-18.7	0	0	0	110.2	A507 A512 T513	A507-D509 PolarHBondContact O-N 3Å; D509-A512 PolarHBondContact O-N 2.85Å; D509-T513 PolarHBondContact O-N 3.36Å; D509-T513 PolarHBondContact O-OG1 2.93Å
510	V	93.8	Very high	92.4	Very high	22 Å²	22	70 Å²	70	13%	0.133	41%	0.405	C	S	.	.	H	α-helix	trans	-63.3	-45.1	174.2	179.5	0	0	0	0	110.3	A347 I506 A507 S508 A512 T513 Y514	A347-V510 HydrophobicContact CB-CG1 4.11Å; I506-V510 HydrophobicContact CG2-CB 4.37Å; I506-V510 HydrophobicContact CG2-CG1 4.33Å; A507-V510 HydrophobicContact CB-CG2 4.04Å; A507-V510 PolarHBondContact O-N 2.98Å; S508-V510 VanDerWaalsContact C-N 3.33Å; S508-V510 PolarHBondContact O-N 2.8Å; V510-A512 VanDerWaalsContact C-N 3.32Å; V510-A512 PolarHBondContact O-N 3.26Å; V510-T513 PolarHBondContact O-N 2.94Å; V510-Y514 HydrophobicContact CG1-CD2 3.8Å; V510-Y514 HydrophobicContact CG1-CE2 3.69Å; V510-Y514 WeakPolarHBondContact O-CD2 3.41Å; V510-Y514 PolarHBondContact O-N 3.41Å; V510-Y514 VanDerWaalsContact O-N 3.1Å
511	I	93.6	Very high	93	Very high	17 Å²	17	64.8 Å²	64.8	9%	0.087	37%	0.371	C	S	.	.	H	α-helix	trans	-59.7	-46.7	176.6	-62.7	171.5	0	0	0	109.8	D340 A343 I344 I506 A507 S508 T513 Y514 Q515	D340-I511 HydrophobicContact CB-CG2 3.7Å; A343-I511 HydrophobicContact CB-CG2 4.18Å; I344-I511 HydrophobicContact CD1-CD1 4.28Å; I344-I511 HydrophobicContact CG1-CD1 4.01Å; I344-I511 HydrophobicContact CG1-CG1 4.09Å; I506-I511 HydrophobicContact CB-CD1 4.34Å; I506-I511 HydrophobicContact CB-CG1 4.43Å; I506-I511 HydrophobicContact CG2-CD1 4.28Å; I506-I511 HydrophobicContact CG2-CG1 3.83Å; A507-I511 PolarHBondContact O-N 3.2Å; S508-I511 WeakPolarHBondContact O-CB 3.47Å; S508-I511 PolarHBondContact O-N 3.29Å; I511-T513 PolarHBondContact O-N 3.47Å; I511-Y514 PolarHBondContact O-N 3.46Å; I511-Q515 WeakPolarHBondContact O-CB 3.11Å; I511-Q515 PolarHBondContact O-N 3.29Å
512	A	95.2	Very high	93.4	Very high	53 Å²	53	66.9 Å²	66.9	44%	0.438	38%	0.378	S	S	.	.	H	α-helix	trans	-60.1	-44.7	178.2	0	0	0	0	0	112.1	S508 D509 V510 Y514 Q515 S516	S508-A512 PolarHBondContact O-N 3.17Å; D509-A512 PolarHBondContact O-N 2.85Å; V510-A512 VanDerWaalsContact C-N 3.32Å; V510-A512 PolarHBondContact O-N 3.26Å; A512-Y514 PolarHBondContact O-N 2.92Å; A512-Q515 PolarHBondContact O-N 2.91Å; A512-S516 PolarHBondContact O-N 3.48Å; A512-S516 PolarHBondContact O-OG 3.44Å
513	T	95.4	Very high	93.6	Very high	75 Å²	75	64.1 Å²	64.1	46%	0.46	38%	0.375	S	S	.	.	H	α-helix	trans	-57.1	-47.4	176.4	-52.9	0	0	0	0	111.8	D509 V510 I511 S516 K517	D509-T513 PolarHBondContact O-N 3.36Å; D509-T513 PolarHBondContact O-OG1 2.93Å; V510-T513 PolarHBondContact O-N 2.94Å; I511-T513 PolarHBondContact O-N 3.47Å; T513-S516 PolarHBondContact O-N 2.94Å; T513-K517 WeakPolarHBondContact O-CG 3.29Å; T513-K517 PolarHBondContact O-N 3.47Å; T513-K517 VanDerWaalsContact O-N 3.12Å
514	Y	94.9	Very high	93.8	Very high	22 Å²	22	61.2 Å²	61.2	9%	0.086	35%	0.346	C	S	.	.	H	α-helix	trans	-72	-31.3	179.3	-76.1	-71.2	0	0	0	112.4	I346 A347 M350 V510 I511 A512 K517 I518	I346-Y514 HydrophobicContact CG2-CD1 3.66Å; I346-Y514 HydrophobicContact CG2-CE1 4.02Å; I346-Y514 HydrophobicContact CG2-CG 4.42Å; A347-Y514 HydrophobicContact CB-CD2 3.42Å; A347-Y514 VanDerWaalsContact CB-CD2 3.42Å; A347-Y514 HydrophobicContact CB-CE2 3.49Å; A347-Y514 VanDerWaalsContact CB-CE2 3.49Å; A347-Y514 HydrophobicContact CB-CG 4.19Å; M350-Y514 HydrophobicContact CB-CE1 4.27Å; M350-Y514 HydrophobicContact CE-CE1 4.49Å; M350-Y514 HydrophobicContact CG-CE1 4.44Å; M350-Y514 HydrophobicContact SD-CD1 4.37Å; M350-Y514 HydrophobicContact SD-CE1 3.55Å; M350-Y514 VanDerWaalsContact SD-CE1 3.55Å; V510-Y514 HydrophobicContact CG1-CD2 3.8Å; V510-Y514 HydrophobicContact CG1-CE2 3.69Å; V510-Y514 WeakPolarHBondContact O-CD2 3.41Å; V510-Y514 PolarHBondContact O-N 3.41Å; V510-Y514 VanDerWaalsContact O-N 3.1Å; I511-Y514 PolarHBondContact O-N 3.46Å; A512-Y514 PolarHBondContact O-N 2.92Å; Y514-K517 HydrophobicContact CD1-CD 4.19Å; Y514-K517 HydrophobicContact CE1-CD 4.42Å; Y514-K517 PolarHBondContact O-N 3.39Å; Y514-I518 VanDerWaalsContact O-CG1 3.27Å; Y514-I518 WeakPolarHBondContact O-CG1 3.37Å; Y514-I518 PolarHBondContact O-N 2.93Å
515	Q	94.3	Very high	93.8	Very high	55 Å²	55	58.2 Å²	58.2	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-63.1	-44.9	173.4	-163.2	70.1	-11.1	0	0	110.9	A343 I511 A512 K517 I518 T519	A343-Q515 HydrophobicContact CB-CB 4.4Å; I511-Q515 WeakPolarHBondContact O-CB 3.11Å; I511-Q515 PolarHBondContact O-N 3.29Å; A512-Q515 PolarHBondContact O-N 2.91Å; Q515-K517 VanDerWaalsContact C-N 3.31Å; Q515-K517 PolarHBondContact O-N 3.15Å; Q515-I518 PolarHBondContact O-N 2.95Å; Q515-I518 VanDerWaalsContact O-N 3.16Å; Q515-T519 PolarHBondContact O-N 2.79Å; Q515-T519 PolarHBondContact O-OG1 3.29Å; Q515-T519 VanDerWaalsContact O-OG1 3.06Å
516	S	95.1	Very high	93.9	Very high	82 Å²	82	53.6 Å²	53.6	57%	0.573	32%	0.315	S	S	*	.	H	α-helix	trans	-59.7	-40.1	173.6	-58.6	0	0	0	0	112.4	A512 T513 T519 R520	A512-S516 PolarHBondContact O-N 3.48Å; A512-S516 PolarHBondContact O-OG 3.44Å; T513-S516 PolarHBondContact O-N 2.94Å; S516-T519 PolarHBondContact O-N 3.12Å; S516-R520 PolarHBondContact O-N 3.02Å
517	K	92.9	Very high	94	Very high	72 Å²	72	57.9 Å²	57.9	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-62.3	-43.4	174.2	-71.2	-177.3	179.5	-169.8	0	111.9	T513 Y514 Q515 R520 L521	T513-K517 WeakPolarHBondContact O-CG 3.29Å; T513-K517 PolarHBondContact O-N 3.47Å; T513-K517 VanDerWaalsContact O-N 3.12Å; Y514-K517 HydrophobicContact CD1-CD 4.19Å; Y514-K517 HydrophobicContact CE1-CD 4.42Å; Y514-K517 PolarHBondContact O-N 3.39Å; Q515-K517 VanDerWaalsContact C-N 3.31Å; Q515-K517 PolarHBondContact O-N 3.15Å; K517-R520 PolarHBondContact O-N 3.44Å; K517-L521 WeakPolarHBondContact O-CG 3.27Å; K517-L521 PolarHBondContact O-N 2.89Å
518	I	93.7	Very high	94	Very high	10 Å²	10	55.3 Å²	55.3	5%	0.051	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-46.8	176.6	-66.2	163.2	0	0	0	110.4	R342 A343 I346 M373 Y514 Q515 R520 L521 E522	R342-I518 HydrophobicContact CB-CD1 3.98Å; A343-I518 HydrophobicContact CB-CD1 3.92Å; I346-I518 HydrophobicContact CD1-CD1 3.84Å; I346-I518 HydrophobicContact CD1-CG1 3.78Å; M373-I518 HydrophobicContact SD-CG2 4.22Å; Y514-I518 VanDerWaalsContact O-CG1 3.27Å; Y514-I518 WeakPolarHBondContact O-CG1 3.37Å; Y514-I518 PolarHBondContact O-N 2.93Å; Q515-I518 PolarHBondContact O-N 2.95Å; Q515-I518 VanDerWaalsContact O-N 3.16Å; I518-R520 VanDerWaalsContact C-N 3.28Å; I518-R520 PolarHBondContact O-N 2.92Å; I518-L521 PolarHBondContact O-N 3.42Å; I518-E522 PolarHBondContact O-N 2.88Å
519	T	94.8	Very high	94.1	Very high	94 Å²	94	55 Å²	55	58%	0.577	30%	0.304	S	S	*	.	H	α-helix	trans	-58.9	-38.5	179.2	-56.2	0	0	0	0	112.1	Q515 S516 L521	Q515-T519 PolarHBondContact O-N 2.79Å; Q515-T519 PolarHBondContact O-OG1 3.29Å; Q515-T519 VanDerWaalsContact O-OG1 3.06Å; S516-T519 PolarHBondContact O-N 3.12Å; T519-L521 VanDerWaalsContact C-N 3.32Å; T519-L521 PolarHBondContact O-N 2.94Å
520	R	93.8	Very high	94.1	Very high	118 Å²	118	51.6 Å²	51.6	45%	0.445	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-33.7	174.9	-175.6	176.5	175.5	174.7	-0.7	112.7	S50 S516 K517 I518	S50-R520 PolarHBondContact OG-NH2 3.07Å; S516-R520 PolarHBondContact O-N 3.02Å; K517-R520 PolarHBondContact O-N 3.44Å; I518-R520 VanDerWaalsContact C-N 3.28Å; I518-R520 PolarHBondContact O-N 2.92Å
521	L	92.9	Very high	94	Very high	11 Å²	11	52.1 Å²	52.1	6%	0.058	30%	0.298	C	S	.	.	H	α-helix	trans	-86.1	-21.8	-178	-65.3	176.1	0	0	0	113.8	I45 L376 L377 K517 I518 T519 P523 I524 I525	I45-L521 HydrophobicContact CD1-CD2 3.67Å; L376-L521 HydrophobicContact CB-CD1 4.2Å; L376-L521 HydrophobicContact CB-CD2 4.27Å; L376-L521 HydrophobicContact CD1-CD2 4.42Å; L377-L521 HydrophobicContact CD1-CD1 4.48Å; L377-L521 HydrophobicContact CD2-CD1 3.65Å; L377-L521 HydrophobicContact CG-CD1 3.73Å; K517-L521 WeakPolarHBondContact O-CG 3.27Å; K517-L521 PolarHBondContact O-N 2.89Å; I518-L521 PolarHBondContact O-N 3.42Å; T519-L521 VanDerWaalsContact C-N 3.32Å; T519-L521 PolarHBondContact O-N 2.94Å; L521-P523 VanDerWaalsContact C-CD 3.48Å; L521-I524 HydrophobicContact CD2-CD1 4.41Å; L521-I524 WeakPolarHBondContact O-CA 3.31Å; L521-I524 WeakPolarHBondContact O-CB 3.47Å; L521-I524 PolarHBondContact O-N 3.32Å; L521-I525 HydrophobicContact CB-CD1 4.09Å; L521-I525 WeakPolarHBondContact O-CG1 3.37Å; L521-I525 PolarHBondContact O-N 2.64Å
522	E	93.3	Very high	93.9	Very high	73 Å²	73	53.3 Å²	53.3	34%	0.341	30%	0.303	S	S	.	.	H	α-helix	trans	-48.4	-46.3	-178.8	-160.4	69	-169.6	0	0	114.8	K369 I518 I524 I525 G526	K369-E522 IonicContact NZ-OE1 3.75Å; K369-E522 PolarHBondContact NZ-OE1 3.08Å; K369-E522 IonicContact NZ-OE2 3.86Å; I518-E522 PolarHBondContact O-N 2.88Å; E522-I524 VanDerWaalsContact C-N 3.3Å; E522-I524 PolarHBondContact O-N 3Å; E522-I525 PolarHBondContact O-N 2.71Å; E522-G526 PolarHBondContact O-N 2.92Å
523	P	94.6	Very high	93.6	Very high	83 Å²	83	53 Å²	53	54%	0.539	30%	0.301	S	S	.	.	H	α-helix	trans	-64.6	-33.9	177.1	25	-34.8	0	0	0	112.9	L521 G526 K527	L521-P523 VanDerWaalsContact C-CD 3.48Å; P523-G526 PolarHBondContact O-N 3.2Å; P523-K527 WeakPolarHBondContact O-CG 3.46Å; P523-K527 PolarHBondContact O-N 2.93Å
524	I	94	Very high	93.6	Very high	29 Å²	29	55.7 Å²	55.7	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-70.9	-43.5	178.5	-59.8	175.7	0	0	0	109.9	Y41 I45 L376 L521 E522 G526 K527 I528	Y41-I524 HydrophobicContact CD1-CG2 3.86Å; Y41-I524 HydrophobicContact CD2-CG2 3.97Å; Y41-I524 HydrophobicContact CE1-CG2 4.46Å; Y41-I524 HydrophobicContact CG-CG2 3.59Å; I45-I524 HydrophobicContact CD1-CD1 3.74Å; I45-I524 HydrophobicContact CG1-CD1 3.87Å; L376-I524 HydrophobicContact CD1-CB 4.46Å; L376-I524 HydrophobicContact CD1-CG2 3.98Å; L376-I524 HydrophobicContact CD2-CG2 4.19Å; L521-I524 HydrophobicContact CD2-CD1 4.41Å; L521-I524 WeakPolarHBondContact O-CA 3.31Å; L521-I524 WeakPolarHBondContact O-CB 3.47Å; L521-I524 PolarHBondContact O-N 3.32Å; E522-I524 VanDerWaalsContact C-N 3.3Å; E522-I524 PolarHBondContact O-N 3Å; I524-G526 PolarHBondContact O-N 2.86Å; I524-K527 WeakPolarHBondContact O-CB 3.48Å; I524-K527 PolarHBondContact O-N 2.82Å; I524-K527 VanDerWaalsContact O-N 3.12Å; I524-I528 HydrophobicContact CG2-CD1 4.15Å; I524-I528 WeakPolarHBondContact O-CG1 3.27Å; I524-I528 PolarHBondContact O-N 2.64Å
525	I	93.4	Very high	93.3	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-65.1	-34.2	178.1	-36.2	140.1	0	0	0	110	I372 M373 L376 L521 E522 K527 I528 L529	I372-I525 HydrophobicContact CG2-CB 3.99Å; I372-I525 HydrophobicContact CG2-CG1 4Å; M373-I525 HydrophobicContact CG-CD1 3.36Å; M373-I525 HydrophobicContact CG-CG1 4.29Å; M373-I525 HydrophobicContact SD-CD1 4.34Å; L376-I525 HydrophobicContact CD1-CG1 3.69Å; L521-I525 HydrophobicContact CB-CD1 4.09Å; L521-I525 WeakPolarHBondContact O-CG1 3.37Å; L521-I525 PolarHBondContact O-N 2.64Å; E522-I525 PolarHBondContact O-N 2.71Å; I525-K527 PolarHBondContact O-N 3.08Å; I525-I528 PolarHBondContact O-N 2.74Å; I525-L529 HydrophobicContact CG2-CD1 4.25Å; I525-L529 WeakPolarHBondContact O-CB 3.44Å; I525-L529 VanDerWaalsContact O-CG 3.27Å; I525-L529 WeakPolarHBondContact O-CG 3.38Å; I525-L529 PolarHBondContact O-N 3.44Å
526	G	94.4	Very high	93	Very high	38 Å²	38	60.9 Å²	60.9	39%	0.392	33%	0.328	S	S	.	.	H	α-helix	trans	-57.7	-45.1	172.7	0	0	0	0	0	112.7	E522 P523 I524 L529 A530	E522-G526 PolarHBondContact O-N 2.92Å; P523-G526 PolarHBondContact O-N 3.2Å; I524-G526 PolarHBondContact O-N 2.86Å; G526-L529 PolarHBondContact O-N 2.69Å; G526-A530 WeakPolarHBondContact O-CB 3.47Å; G526-A530 PolarHBondContact O-N 2.74Å
527	K	94.5	Very high	92.7	Very high	123 Å²	123	64.1 Å²	64.1	54%	0.535	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-44.9	175.2	-68.4	176.6	-178.6	-178.6	0	112.3	P523 I524 I525 L529 A530 A531	P523-K527 WeakPolarHBondContact O-CG 3.46Å; P523-K527 PolarHBondContact O-N 2.93Å; I524-K527 WeakPolarHBondContact O-CB 3.48Å; I524-K527 PolarHBondContact O-N 2.82Å; I524-K527 VanDerWaalsContact O-N 3.12Å; I525-K527 PolarHBondContact O-N 3.08Å; K527-L529 PolarHBondContact O-N 3.06Å; K527-A530 PolarHBondContact O-N 3.45Å; K527-A531 WeakPolarHBondContact O-CB 3.36Å; K527-A531 PolarHBondContact O-N 3.16Å
528	I	93.3	Very high	92.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-44.6	178.8	-64.3	170.7	0	0	0	110.8	V34 L37 I38 Y41 I372 L376 I524 I525 A530 A531 E532	V34-I528 HydrophobicContact CG1-CG2 4.42Å; L37-I528 HydrophobicContact CB-CG1 4.32Å; L37-I528 HydrophobicContact CB-CG2 4.43Å; L37-I528 HydrophobicContact CD1-CG2 4.26Å; I38-I528 HydrophobicContact CG1-CD1 4.39Å; Y41-I528 HydrophobicContact CD2-CD1 3.76Å; Y41-I528 HydrophobicContact CD2-CG1 3.62Å; Y41-I528 HydrophobicContact CE2-CD1 4.3Å; Y41-I528 HydrophobicContact CE2-CG1 3.64Å; I372-I528 HydrophobicContact CD1-CG2 3.92Å; I372-I528 HydrophobicContact CG1-CG2 4.34Å; I372-I528 HydrophobicContact CG2-CB 4.39Å; I372-I528 HydrophobicContact CG2-CD1 3.64Å; I372-I528 HydrophobicContact CG2-CG2 4.24Å; L376-I528 HydrophobicContact CD1-CD1 4.15Å; L376-I528 HydrophobicContact CD2-CD1 4.14Å; L376-I528 HydrophobicContact CG-CD1 4.42Å; I524-I528 HydrophobicContact CG2-CD1 4.15Å; I524-I528 WeakPolarHBondContact O-CG1 3.27Å; I524-I528 PolarHBondContact O-N 2.64Å; I525-I528 PolarHBondContact O-N 2.74Å; I528-A530 VanDerWaalsContact C-N 3.34Å; I528-A530 PolarHBondContact O-N 3.39Å; I528-A531 PolarHBondContact O-N 3.02Å; I528-E532 WeakPolarHBondContact O-CB 3.35Å; I528-E532 PolarHBondContact O-N 3.47Å
529	L	93.5	Very high	92.3	Very high	60 Å²	60	67.8 Å²	67.8	31%	0.314	35%	0.351	S	S	.	.	H	α-helix	trans	-65.6	-36.2	178.6	-72	172.7	0	0	0	112.5	I372 I525 G526 K527 A533	I372-L529 HydrophobicContact CD1-CD2 3.64Å; I372-L529 HydrophobicContact CD1-CG 4.03Å; I525-L529 HydrophobicContact CG2-CD1 4.25Å; I525-L529 WeakPolarHBondContact O-CB 3.44Å; I525-L529 VanDerWaalsContact O-CG 3.27Å; I525-L529 WeakPolarHBondContact O-CG 3.38Å; I525-L529 PolarHBondContact O-N 3.44Å; G526-L529 PolarHBondContact O-N 2.69Å; K527-L529 PolarHBondContact O-N 3.06Å; L529-A533 WeakPolarHBondContact O-CB 3.09Å; L529-A533 PolarHBondContact O-N 2.95Å; L529-A533 VanDerWaalsContact O-N 3.1Å
530	A	94.4	Very high	91.9	Very high	45 Å²	45	65.9 Å²	65.9	37%	0.372	35%	0.345	S	S	.	.	H	α-helix	trans	-66.6	-49.3	175	0	0	0	0	0	111.2	G526 K527 I528 E532 A533 E534	G526-A530 WeakPolarHBondContact O-CB 3.47Å; G526-A530 PolarHBondContact O-N 2.74Å; K527-A530 PolarHBondContact O-N 3.45Å; I528-A530 VanDerWaalsContact C-N 3.34Å; I528-A530 PolarHBondContact O-N 3.39Å; A530-E532 VanDerWaalsContact C-N 3.3Å; A530-E532 PolarHBondContact O-N 3.23Å; A530-A533 WeakPolarHBondContact O-CA 3.19Å; A530-A533 WeakPolarHBondContact O-CB 3.41Å; A530-A533 PolarHBondContact O-N 3.31Å; A530-E534 WeakPolarHBondContact O-CG 3.45Å; A530-E534 PolarHBondContact O-N 2.92Å
531	A	92.8	Very high	91.8	Very high	32 Å²	32	62.4 Å²	62.4	26%	0.264	34%	0.341	S	S	.	.	H	α-helix	trans	-58.7	-40.5	177	0	0	0	0	0	112.3	L37 K527 I528 A533 E535	L37-A531 HydrophobicContact CD1-CB 4.01Å; K527-A531 WeakPolarHBondContact O-CB 3.36Å; K527-A531 PolarHBondContact O-N 3.16Å; I528-A531 PolarHBondContact O-N 3.02Å; A531-A533 VanDerWaalsContact C-N 3.32Å; A531-A533 PolarHBondContact O-N 3.27Å; A531-E535 WeakPolarHBondContact O-CB 3.37Å; A531-E535 PolarHBondContact O-N 3.04Å
532	E	90.2	Very high	91.8	Very high	42 Å²	42	67 Å²	67	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-65.9	-34.7	175.6	-161	-141.7	178.4	0	0	112.3	V34 H368 I528 A530 R536	V34-E532 HydrophobicContact CG2-CG 3.93Å; H368-E532 IonicContact CE1-OE1 3.93Å; H368-E532 IonicContact NE2-OE1 2.65Å; H368-E532 IonicContact NE2-OE2 2.69Å; H368-E532 PolarHBondContact NE2-OE2 3.4Å; I528-E532 WeakPolarHBondContact O-CB 3.35Å; I528-E532 PolarHBondContact O-N 3.47Å; A530-E532 VanDerWaalsContact C-N 3.3Å; A530-E532 PolarHBondContact O-N 3.23Å; E532-R536 WeakPolarHBondContact O-CB 3.43Å; E532-R536 PolarHBondContact O-N 2.9Å; E532-R536 VanDerWaalsContact O-N 3.13Å; E532-R536 IonicContact OE1-CZ 3.91Å; E532-R536 IonicContact OE1-NH2 3Å; E532-R536 PolarHBondContact OE1-NH2 3.46Å; E532-R536 IonicContact OE2-CZ 3.87Å; E532-R536 IonicContact OE2-NH1 3.4Å; E532-R536 IonicContact OE2-NH2 2.67Å; E532-R536 PolarHBondContact OE2-NH2 2.87Å
533	A	90.5	Very high	91.4	Very high	46 Å²	46	66.2 Å²	66.2	38%	0.38	37%	0.365	S	S	.	.	H	α-helix	trans	-70.4	-44.9	176.9	0	0	0	0	0	112	L529 A530 A531 R536 E537	L529-A533 WeakPolarHBondContact O-CB 3.09Å; L529-A533 PolarHBondContact O-N 2.95Å; L529-A533 VanDerWaalsContact O-N 3.1Å; A530-A533 WeakPolarHBondContact O-CA 3.19Å; A530-A533 WeakPolarHBondContact O-CB 3.41Å; A530-A533 PolarHBondContact O-N 3.31Å; A531-A533 VanDerWaalsContact C-N 3.32Å; A531-A533 PolarHBondContact O-N 3.27Å; A533-R536 WeakPolarHBondContact O-CB 3.46Å; A533-R536 PolarHBondContact O-N 3.08Å; A533-E537 PolarHBondContact O-N 2.87Å
534	E	93.6	Very high	91.2	Very high	132 Å²	132	68.8 Å²	68.8	62%	0.617	37%	0.37	S	S	*	.	H	α-helix	trans	-59.5	-47.6	176.1	-70.9	170.3	-170.6	0	0	111.2	A530 R536 E537 L538	A530-E534 WeakPolarHBondContact O-CG 3.45Å; A530-E534 PolarHBondContact O-N 2.92Å; E534-R536 VanDerWaalsContact C-N 3.28Å; E534-R536 PolarHBondContact O-N 3.43Å; E534-E537 PolarHBondContact O-N 3.41Å; E534-E537 VanDerWaalsContact O-N 3.16Å; E534-L538 WeakPolarHBondContact O-CB 3.15Å; E534-L538 PolarHBondContact O-N 3.33Å
535	E	89.7	Confident	91.1	Very high	61 Å²	61	72.5 Å²	72.5	29%	0.285	39%	0.39	S	S	.	.	H	α-helix	trans	-61.6	-38.1	177.1	177.4	62.9	-158.4	0	0	111.9	L33 A531 E537 R539	L33-E535 HydrophobicContact CD2-CB 3.89Å; L33-E535 HydrophobicContact CD2-CG 3.79Å; A531-E535 WeakPolarHBondContact O-CB 3.37Å; A531-E535 PolarHBondContact O-N 3.04Å; E535-E537 VanDerWaalsContact C-N 3.33Å; E535-R539 WeakPolarHBondContact O-CB 3.35Å; E535-R539 PolarHBondContact O-N 2.86Å; E535-R539 IonicContact OE1-CZ 3.69Å; E535-R539 IonicContact OE1-NH2 2.73Å; E535-R539 PolarHBondContact OE1-NH2 3.12Å
536	R	86.8	Confident	90.9	Very high	126 Å²	126	75.6 Å²	75.6	48%	0.475	41%	0.412	S	S	.	.	H	α-helix	trans	-65.4	-38.8	177.5	-171.9	-177.4	-62.8	118.8	-3.4	111.4	E532 A533 E534 A540	E532-R536 WeakPolarHBondContact O-CB 3.43Å; E532-R536 PolarHBondContact O-N 2.9Å; E532-R536 VanDerWaalsContact O-N 3.13Å; E532-R536 IonicContact OE1-CZ 3.91Å; E532-R536 IonicContact OE1-NH2 3Å; E532-R536 PolarHBondContact OE1-NH2 3.46Å; E532-R536 IonicContact OE2-CZ 3.87Å; E532-R536 IonicContact OE2-NH1 3.4Å; E532-R536 IonicContact OE2-NH2 2.67Å; E532-R536 PolarHBondContact OE2-NH2 2.87Å; A533-R536 WeakPolarHBondContact O-CB 3.46Å; A533-R536 PolarHBondContact O-N 3.08Å; E534-R536 VanDerWaalsContact C-N 3.28Å; E534-R536 PolarHBondContact O-N 3.43Å; R536-A540 PolarHBondContact O-N 3Å; R536-A540 VanDerWaalsContact O-N 3.16Å
537	E	90.6	Very high	90.4	Very high	149 Å²	149	79.6 Å²	79.6	70%	0.696	42%	0.418	S	S	*	.	H	α-helix	trans	-69	-47.2	176.7	-176.8	169.3	-172.9	0	0	111.7	A533 E534 E535 R539 A540 A541	A533-E537 PolarHBondContact O-N 2.87Å; E534-E537 PolarHBondContact O-N 3.41Å; E534-E537 VanDerWaalsContact O-N 3.16Å; E535-E537 VanDerWaalsContact C-N 3.33Å; E537-R539 VanDerWaalsContact C-N 3.27Å; E537-R539 PolarHBondContact O-N 3.43Å; E537-A540 WeakPolarHBondContact O-CB 3.28Å; E537-A540 PolarHBondContact O-N 3.44Å; E537-A541 PolarHBondContact O-N 2.99Å
538	L	92.2	Very high	90	Very high	86 Å²	86	76.1 Å²	76.1	45%	0.45	41%	0.412	S	S	.	.	H	α-helix	trans	-56.2	-42.6	177.2	-167.5	155.6	0	0	0	111.1	E534 A541 Q542	E534-L538 WeakPolarHBondContact O-CB 3.15Å; E534-L538 PolarHBondContact O-N 3.33Å; L538-A541 WeakPolarHBondContact O-CB 3.38Å; L538-A541 PolarHBondContact O-N 2.99Å; L538-Q542 HydrophobicContact CD2-CG 3.96Å; L538-Q542 WeakPolarHBondContact O-CG 3.37Å; L538-Q542 PolarHBondContact O-N 2.79Å
539	R	85.6	Confident	89.8	Confident	74 Å²	74	82.3 Å²	82.3	28%	0.279	44%	0.441	S	S	.	.	H	α-helix	trans	-68.1	-38	176.3	-170.1	178.1	-55.5	112.2	14.8	113.6	E535 E537 A541 Q542 S543	E535-R539 WeakPolarHBondContact O-CB 3.35Å; E535-R539 PolarHBondContact O-N 2.86Å; E535-R539 IonicContact OE1-CZ 3.69Å; E535-R539 IonicContact OE1-NH2 2.73Å; E535-R539 PolarHBondContact OE1-NH2 3.12Å; E537-R539 VanDerWaalsContact C-N 3.27Å; E537-R539 PolarHBondContact O-N 3.43Å; R539-A541 PolarHBondContact O-N 3.27Å; R539-Q542 PolarHBondContact O-N 2.89Å; R539-S543 WeakPolarHBondContact O-CB 3.44Å; R539-S543 PolarHBondContact O-N 3.23Å
540	A	86.6	Confident	89.3	Confident	53 Å²	53	84.6 Å²	84.6	44%	0.438	45%	0.45	S	S	.	.	H	α-helix	trans	-60.9	-40.6	175.6	0	0	0	0	0	110.2	R536 E537 Q544	R536-A540 PolarHBondContact O-N 3Å; R536-A540 VanDerWaalsContact O-N 3.16Å; E537-A540 WeakPolarHBondContact O-CB 3.28Å; E537-A540 PolarHBondContact O-N 3.44Å; A540-Q544 WeakPolarHBondContact O-CG 3.34Å; A540-Q544 PolarHBondContact O-N 3.08Å
541	A	91.9	Very high	88.8	Confident	46 Å²	46	86.5 Å²	86.5	38%	0.38	45%	0.454	S	S	.	.	H	α-helix	trans	-64.9	-46.9	173.4	0	0	0	0	0	112.2	E537 L538 R539 S543 Q544 L545	E537-A541 PolarHBondContact O-N 2.99Å; L538-A541 WeakPolarHBondContact O-CB 3.38Å; L538-A541 PolarHBondContact O-N 2.99Å; R539-A541 PolarHBondContact O-N 3.27Å; A541-S543 PolarHBondContact O-N 2.74Å; A541-Q544 PolarHBondContact O-N 3.16Å; A541-Q544 VanDerWaalsContact O-N 3.15Å; A541-L545 WeakPolarHBondContact O-CG 3.24Å; A541-L545 PolarHBondContact O-N 3.43Å
542	Q	92.3	Very high	88.5	Confident	106 Å²	106	88.5 Å²	88.5	50%	0.495	46%	0.462	S	S	.	.	H	α-helix	trans	-59.5	-42	176.7	-75.3	176.3	-19.6	0	0	112.8	L538 R539 Q544 L545 S546	L538-Q542 HydrophobicContact CD2-CG 3.96Å; L538-Q542 WeakPolarHBondContact O-CG 3.37Å; L538-Q542 PolarHBondContact O-N 2.79Å; R539-Q542 PolarHBondContact O-N 2.89Å; Q542-Q544 VanDerWaalsContact C-N 3.29Å; Q542-Q544 PolarHBondContact O-N 3.39Å; Q542-L545 PolarHBondContact O-N 3.28Å; Q542-S546 WeakPolarHBondContact O-CB 3.49Å; Q542-S546 PolarHBondContact O-N 3.11Å
543	S	85.5	Confident	88.1	Confident	57 Å²	57	90 Å²	90	40%	0.399	48%	0.478	S	S	.	.	H	α-helix	trans	-66	-33	177.7	-176.9	0	0	0	0	112.2	R539 A541 K547	R539-S543 WeakPolarHBondContact O-CB 3.44Å; R539-S543 PolarHBondContact O-N 3.23Å; A541-S543 PolarHBondContact O-N 2.74Å; S543-K547 VanDerWaalsContact O-CG 3.27Å; S543-K547 WeakPolarHBondContact O-CG 3.41Å; S543-K547 PolarHBondContact O-N 3.43Å
544	Q	88.7	Confident	87.2	Confident	137 Å²	137	89 Å²	89	64%	0.64	47%	0.468	S	S	*	.	H	α-helix	trans	-71.1	-42	174.1	-72.8	177.2	-5.8	0	0	111.7	A540 A541 Q542 K547 A548	A540-Q544 WeakPolarHBondContact O-CG 3.34Å; A540-Q544 PolarHBondContact O-N 3.08Å; A541-Q544 PolarHBondContact O-N 3.16Å; A541-Q544 VanDerWaalsContact O-N 3.15Å; Q542-Q544 VanDerWaalsContact C-N 3.29Å; Q542-Q544 PolarHBondContact O-N 3.39Å; Q544-K547 PolarHBondContact O-N 3.2Å; Q544-A548 PolarHBondContact O-N 3.02Å
545	L	92.5	Very high	86.4	Confident	108 Å²	108	90.1 Å²	90.1	57%	0.565	48%	0.475	S	S	*	.	H	α-helix	trans	-61.7	-48.4	175.2	-73.5	170.4	0	0	0	111.5	A541 Q542 K547 A548 E549	A541-L545 WeakPolarHBondContact O-CG 3.24Å; A541-L545 PolarHBondContact O-N 3.43Å; Q542-L545 PolarHBondContact O-N 3.28Å; L545-K547 VanDerWaalsContact C-N 3.3Å; L545-K547 PolarHBondContact O-N 3.15Å; L545-A548 CarbonylContact O-C 3.56Å; L545-A548 WeakPolarHBondContact O-CA 3.46Å; L545-A548 WeakPolarHBondContact O-CB 3.49Å; L545-A548 PolarHBondContact O-N 3.22Å; L545-E549 WeakPolarHBondContact O-CG 3.27Å; L545-E549 PolarHBondContact O-N 2.98Å
546	S	89	Confident	85.9	Confident	67 Å²	67	95.8 Å²	95.8	47%	0.469	50%	0.498	S	S	.	.	H	α-helix	trans	-59	-40.1	177.9	174.8	0	0	0	0	112.2	Q542 E549 E550	Q542-S546 WeakPolarHBondContact O-CB 3.49Å; Q542-S546 PolarHBondContact O-N 3.11Å; S546-E549 PolarHBondContact O-N 2.99Å; S546-E550 WeakPolarHBondContact O-CB 3.42Å; S546-E550 PolarHBondContact O-N 3.5Å
547	K	84.6	Confident	85.3	Confident	122 Å²	122	93.1 Å²	93.1	53%	0.53	50%	0.499	S	S	.	.	H	α-helix	trans	-64.7	-39.6	172.6	-73.3	172.1	-173.8	176	0	112.5	S543 Q544 L545 E550 L551	S543-K547 VanDerWaalsContact O-CG 3.27Å; S543-K547 WeakPolarHBondContact O-CG 3.41Å; S543-K547 PolarHBondContact O-N 3.43Å; Q544-K547 PolarHBondContact O-N 3.2Å; L545-K547 VanDerWaalsContact C-N 3.3Å; L545-K547 PolarHBondContact O-N 3.15Å; K547-E550 PolarHBondContact O-N 3.42Å; K547-L551 WeakPolarHBondContact O-CB 3.44Å; K547-L551 VanDerWaalsContact O-CG 3.24Å; K547-L551 WeakPolarHBondContact O-CG 3.49Å; K547-L551 PolarHBondContact O-N 3.4Å
548	A	85.6	Confident	83.8	Confident	50 Å²	50	89.5 Å²	89.5	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-66.2	-41.7	177.1	0	0	0	0	0	111.2	Q544 L545 L551 V552	Q544-A548 PolarHBondContact O-N 3.02Å; L545-A548 CarbonylContact O-C 3.56Å; L545-A548 WeakPolarHBondContact O-CA 3.46Å; L545-A548 WeakPolarHBondContact O-CB 3.49Å; L545-A548 PolarHBondContact O-N 3.22Å; A548-L551 PolarHBondContact O-N 3.24Å; A548-V552 VanDerWaalsContact O-CG2 3.27Å; A548-V552 WeakPolarHBondContact O-CG2 3.45Å; A548-V552 PolarHBondContact O-N 3.32Å
549	E	89.4	Confident	81.9	Confident	130 Å²	130	89.5 Å²	89.5	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-62.4	-43.1	174.9	-71.8	171.2	173.4	0	0	111.9	L545 S546 L551 V552 S553	L545-E549 WeakPolarHBondContact O-CG 3.27Å; L545-E549 PolarHBondContact O-N 2.98Å; S546-E549 PolarHBondContact O-N 2.99Å; E549-L551 PolarHBondContact O-N 2.87Å; E549-V552 PolarHBondContact O-N 3.5Å; E549-S553 WeakPolarHBondContact O-CB 3.33Å; E549-S553 PolarHBondContact O-N 3.26Å
550	E	82.8	Confident	80.4	Confident	108 Å²	108	91.2 Å²	91.2	51%	0.505	52%	0.524	S	S	.	.	H	α-helix	trans	-63.1	-41.4	176.1	-170.8	176.8	-168.5	0	0	111.6	S546 K547 S553 C554	S546-E550 WeakPolarHBondContact O-CB 3.42Å; S546-E550 PolarHBondContact O-N 3.5Å; K547-E550 PolarHBondContact O-N 3.42Å; E550-S553 PolarHBondContact O-N 3.02Å; E550-C554 WeakPolarHBondContact O-CB 3.46Å; E550-C554 PolarHBondContact O-N 3.3Å; E550-C554 PolarHBondContact O-SG 3.02Å
551	L	84.1	Confident	78.5	Confident	85 Å²	85	90.5 Å²	90.5	45%	0.445	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-43.1	174.3	-72.8	170.7	0	0	0	111.8	K547 A548 E549 S553 C554 M555 P561	K547-L551 WeakPolarHBondContact O-CB 3.44Å; K547-L551 VanDerWaalsContact O-CG 3.24Å; K547-L551 WeakPolarHBondContact O-CG 3.49Å; K547-L551 PolarHBondContact O-N 3.4Å; A548-L551 PolarHBondContact O-N 3.24Å; E549-L551 PolarHBondContact O-N 2.87Å; L551-S553 VanDerWaalsContact C-N 3.35Å; L551-C554 PolarHBondContact O-N 3.18Å; L551-M555 VanDerWaalsContact O-CG 3.29Å; L551-M555 WeakPolarHBondContact O-CG 3.41Å; L551-M555 PolarHBondContact O-N 3.38Å; L551-P561 HydrophobicContact CD2-CB 3.98Å
552	V	85.9	Confident	76.6	Confident	73 Å²	73	95 Å²	95	44%	0.442	53%	0.532	S	S	.	.	H	α-helix	trans	-64.8	-40	176.3	171	0	0	0	0	110.9	A548 E549 M555 K556	A548-V552 VanDerWaalsContact O-CG2 3.27Å; A548-V552 WeakPolarHBondContact O-CG2 3.45Å; A548-V552 PolarHBondContact O-N 3.32Å; E549-V552 PolarHBondContact O-N 3.5Å; V552-M555 PolarHBondContact O-N 3.33Å; V552-K556 HydrophobicContact CG1-CD 4.37Å; V552-K556 WeakPolarHBondContact O-CG 3.45Å; V552-K556 PolarHBondContact O-N 3.35Å
553	S	81.7	Confident	74.6	Confident	74 Å²	74	94.6 Å²	94.6	52%	0.517	54%	0.54	S	S	.	.	H	α-helix	trans	-64.2	-43	175.4	-176.7	0	0	0	0	112.1	E549 E550 L551 M555 K556 S557	E549-S553 WeakPolarHBondContact O-CB 3.33Å; E549-S553 PolarHBondContact O-N 3.26Å; E550-S553 PolarHBondContact O-N 3.02Å; L551-S553 VanDerWaalsContact C-N 3.35Å; S553-M555 VanDerWaalsContact C-N 3.34Å; S553-M555 PolarHBondContact O-N 2.81Å; S553-K556 PolarHBondContact O-N 3.42Å; S553-S557 WeakPolarHBondContact O-CB 3.35Å; S553-S557 PolarHBondContact O-N 3.5Å; S553-S557 PolarHBondContact O-OG 3.16Å
554	C	71.5	Confident	72.6	Confident	25 Å²	25	96.2 Å²	96.2	17%	0.169	55%	0.551	C	S	.	*	H	α-helix	trans	-61.3	-42.1	173.4	-71.8	0	0	0	0	111.7	E550 L551 K556 S557 G558 T559 P561	E550-C554 WeakPolarHBondContact O-CB 3.46Å; E550-C554 PolarHBondContact O-N 3.3Å; E550-C554 PolarHBondContact O-SG 3.02Å; L551-C554 PolarHBondContact O-N 3.18Å; C554-K556 PolarHBondContact O-N 2.97Å; C554-S557 WeakPolarHBondContact CA-OG 3.43Å; C554-S557 PolarHBondContact O-N 3.3Å; C554-S557 PolarHBondContact O-OG 3.23Å; C554-G558 PolarHBondContact O-N 3.47Å; C554-T559 PolarHBondContact O-N 3.15Å; C554-P561 HydrophobicContact CB-CB 4.45Å
555	M	77.9	Confident	70.7	Confident	156 Å²	156	94.7 Å²	94.7	77%	0.768	55%	0.551	S	S	*	*	H	α-helix	trans	-63.1	-40.4	176.2	-74.9	176.9	164.1	0	0	112.5	L551 V552 S553	L551-M555 VanDerWaalsContact O-CG 3.29Å; L551-M555 WeakPolarHBondContact O-CG 3.41Å; L551-M555 PolarHBondContact O-N 3.38Å; V552-M555 PolarHBondContact O-N 3.33Å; S553-M555 VanDerWaalsContact C-N 3.34Å; S553-M555 PolarHBondContact O-N 2.81Å
556	K	80.1	Confident	68.8	Low	180 Å²	180	98.5 Å²	98.5	78%	0.783	57%	0.566	S	S	*	*	H	α-helix	trans	-71	-35.1	177.9	-73.5	179.4	-179.3	179.8	0	113.3	V552 S553 C554 G558	V552-K556 HydrophobicContact CG1-CD 4.37Å; V552-K556 WeakPolarHBondContact O-CG 3.45Å; V552-K556 PolarHBondContact O-N 3.35Å; S553-K556 PolarHBondContact O-N 3.42Å; C554-K556 PolarHBondContact O-N 2.97Å; K556-G558 VanDerWaalsContact C-N 3.34Å
557	S	74	Confident	67.4	Low	70 Å²	70	106.9 Å²	106.9	49%	0.49	59%	0.587	S	S	.	*	H	α-helix	trans	-86	-1.4	-178.8	56.5	0	0	0	0	114	S553 C554 T559	S553-S557 WeakPolarHBondContact O-CB 3.35Å; S553-S557 PolarHBondContact O-N 3.5Å; S553-S557 PolarHBondContact O-OG 3.16Å; C554-S557 WeakPolarHBondContact CA-OG 3.43Å; C554-S557 PolarHBondContact O-N 3.3Å; C554-S557 PolarHBondContact O-OG 3.23Å; S557-T559 PolarHBondContact O-N 3.06Å; S557-T559 VanDerWaalsContact O-N 3.15Å
558	G	59.2	Low	66.9	Low	72 Å²	72	105.4 Å²	105.4	74%	0.742	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.7	12.3	-179	0	0	0	0	0	114.3	C554 K556	C554-G558 PolarHBondContact O-N 3.47Å; K556-G558 VanDerWaalsContact C-N 3.34Å
559	T	51.3	Low	66.4	Low	87 Å²	87	106.4 Å²	106.4	53%	0.534	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-90.3	129.7	178.1	-54.7	0	0	0	0	109.3	C554 S557	C554-T559 PolarHBondContact O-N 3.15Å; S557-T559 PolarHBondContact O-N 3.06Å; S557-T559 VanDerWaalsContact O-N 3.15Å
560	T	54	Low	65.9	Low	109 Å²	109	104.5 Å²	104.5	67%	0.669	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-57.7	128.4	175.1	21.8	0	0	0	0	110.4
561	P	46.4	Very low	65.8	Low	38 Å²	38	100.9 Å²	100.9	25%	0.247	55%	0.554	C	S	.	*	P	Polyproline II helix	trans	-60.8	142	176.8	21.9	-30	0	0	0	110.2	L551 C554 S563 C564	L551-P561 HydrophobicContact CD2-CB 3.98Å; C554-P561 HydrophobicContact CB-CB 4.45Å; P561-S563 PolarHBondContact O-N 3.16Å; P561-C564 PolarHBondContact O-N 3.29Å
562	L	52.6	Low	65.5	Low	142 Å²	142	101 Å²	101	74%	0.743	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-49.5	-20.5	178.3	-81.1	142.5	0	0	0	113.7	C564 V565	L562-C564 PolarHBondContact O-N 3.05Å; L562-V565 PolarHBondContact O-N 3Å
563	S	50.4	Low	65.2	Low	96 Å²	96	98.7 Å²	98.7	67%	0.671	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-62.4	-15.2	173.1	60	0	0	0	0	115.1	P561	P561-S563 PolarHBondContact O-N 3.16Å
564	C	42.2	Very low	65	Low	91 Å²	91	99.8 Å²	99.8	62%	0.615	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-94.4	-0.4	179.7	-70.2	0	0	0	0	114.4	P561 L562	P561-C564 PolarHBondContact O-N 3.29Å; L562-C564 PolarHBondContact O-N 3.05Å
565	V	50.3	Low	65.4	Low	106 Å²	106	103.3 Å²	103.3	64%	0.642	55%	0.547	S	S	*	.	S	Bend	trans	-67.6	140.7	171	-178	0	0	0	0	108.9	L562 R567	L562-V565 PolarHBondContact O-N 3Å; V565-R567 PolarHBondContact O-N 2.88Å
566	E	51.5	Low	65.4	Low	187 Å²	187	102.7 Å²	102.7	87%	0.874	54%	0.54	S	S	*	.			trans	-32.3	130.6	-175.7	-75.6	176.8	148.8	0	0	113.7	R568	E566-R568 PolarHBondContact O-N 3.44Å
567	R	60	Low	65.3	Low	243 Å²	243	102 Å²	102	92%	0.917	53%	0.532	S	S	*	.			trans	-59	103.5	-176.9	-86.2	-173.5	-90.4	-161.6	-6.8	110.2	V565 V569	V565-R567 PolarHBondContact O-N 2.88Å; R567-V569 PolarHBondContact O-N 3.4Å
568	R	73.6	Confident	65.6	Low	92 Å²	92	101.7 Å²	101.7	35%	0.347	53%	0.525	S	S	.	.			trans	-46.9	131.3	168.5	-167.7	177.5	-175	96.1	-0.5	109.9	E224 D243 N247 E566 D570	E224-R568 IonicContact OE2-CZ 3.13Å; E224-R568 IonicContact OE2-NH1 2.76Å; E224-R568 PolarHBondContact OE2-NH1 3.31Å; E224-R568 IonicContact OE2-NH2 2.67Å; D243-R568 VanDerWaalsContact CG-NH2 3.27Å; D243-R568 IonicContact OD1-CZ 3.15Å; D243-R568 VanDerWaalsContact OD1-CZ 3.27Å; D243-R568 IonicContact OD1-NE 3.22Å; D243-R568 PolarHBondContact OD1-NE 3.39Å; D243-R568 IonicContact OD1-NH2 3.36Å; D243-R568 PolarHBondContact OD1-NH2 2.78Å; D243-R568 IonicContact OD2-CZ 3.66Å; D243-R568 IonicContact OD2-NE 3.91Å; D243-R568 IonicContact OD2-NH2 2.98Å; D243-R568 PolarHBondContact OD2-NH2 3.02Å; N247-R568 HydrophobicContact CB-CG 4.06Å; N247-R568 VanDerWaalsContact CB-CZ 3.46Å; N247-R568 WeakPolarHBondContact ND2-CG 3.16Å; N247-R568 PolarHBondContact ND2-NE 3.11Å; N247-R568 WeakPolarHBondContact OD1-CG 3.4Å; E566-R568 PolarHBondContact O-N 3.44Å; R568-D570 PolarHBondContact O-N 2.87Å
569	V	75.8	Confident	66.6	Low	71 Å²	71	103.5 Å²	103.5	43%	0.43	51%	0.513	S	S	.	.			trans	-73.4	112.5	179.2	-178.3	0	0	0	0	108.3	N247 R567 W571	N247-V569 PolarHBondContact ND2-O 3.32Å; N247-V569 PolarHBondContact OD1-N 3.26Å; R567-V569 PolarHBondContact O-N 3.4Å; V569-W571 PolarHBondContact O-N 2.93Å
570	D	79.1	Confident	67.8	Low	89 Å²	89	105.6 Å²	105.6	48%	0.476	51%	0.514	S	S	.	.			trans	-94.3	91.1	173	-176.3	-7	0	0	0	109.4	R568 F572 A573 E574	R568-D570 PolarHBondContact O-N 2.87Å; D570-F572 PolarHBondContact O-N 3.46Å; D570-F572 VanDerWaalsContact O-N 3.16Å; D570-F572 WeakPolarHBondContact OD1-CB 3.45Å; D570-F572 PolarHBondContact OD1-N 3.04Å; D570-A573 HydrophobicContact CB-CB 3.83Å; D570-A573 PolarHBondContact O-N 3.33Å; D570-A573 PolarHBondContact OD1-N 3.46Å; D570-A573 VanDerWaalsContact OD1-N 3.11Å; D570-A573 WeakPolarHBondContact OD2-CB 3.44Å; D570-E574 PolarHBondContact O-N 2.92Å
571	W	80.2	Confident	68.9	Low	32 Å²	32	103.4 Å²	103.4	12%	0.121	50%	0.501	C	S	.	.	H	α-helix	trans	-51	-36.2	176.7	-179.9	92.9	0	0	0	112.5	I242 Q275 E278 V569 R575	I242-W571 HydrophobicContact CD1-CH2 4.4Å; I242-W571 HydrophobicContact CD1-CZ2 4.46Å; I242-W571 HydrophobicContact CD1-CZ3 4.48Å; I242-W571 HydrophobicContact CG2-CB 3.93Å; I242-W571 HydrophobicContact CG2-CD2 3.71Å; I242-W571 HydrophobicContact CG2-CE3 4.21Å; I242-W571 HydrophobicContact CG2-CG 3.56Å; Q275-W571 HydrophobicContact CG-CH2 4.05Å; Q275-W571 HydrophobicContact CG-CZ3 4.08Å; E278-W571 HydrophobicContact CB-CZ2 4.41Å; E278-W571 HydrophobicContact CG-CZ2 4.35Å; V569-W571 PolarHBondContact O-N 2.93Å; W571-R575 HydrophobicContact CD2-CG 4.3Å; W571-R575 HydrophobicContact CH2-CG 4.28Å; W571-R575 HydrophobicContact CZ2-CG 3.99Å; W571-R575 WeakPolarHBondContact O-CB 3.4Å; W571-R575 PolarHBondContact O-N 3.49Å
572	F	78.7	Confident	70.4	Confident	88 Å²	88	106.1 Å²	106.1	39%	0.386	51%	0.512	S	S	.	.	H	α-helix	trans	-71.2	-41.2	179.2	-65.2	-83.6	0	0	0	111.7	D570 K576	D570-F572 PolarHBondContact O-N 3.46Å; D570-F572 VanDerWaalsContact O-N 3.16Å; D570-F572 WeakPolarHBondContact OD1-CB 3.45Å; D570-F572 PolarHBondContact OD1-N 3.04Å; F572-K576 VanDerWaalsContact O-CB 3.28Å; F572-K576 WeakPolarHBondContact O-CB 3.46Å; F572-K576 PolarHBondContact O-N 3.33Å
573	A	77.9	Confident	71.4	Confident	24 Å²	24	100.8 Å²	100.8	20%	0.198	49%	0.492	C	S	.	.	H	α-helix	trans	-64.4	-41.6	175.7	0	0	0	0	0	111.6	D570 K576 R577	D570-A573 HydrophobicContact CB-CB 3.83Å; D570-A573 PolarHBondContact O-N 3.33Å; D570-A573 PolarHBondContact OD1-N 3.46Å; D570-A573 VanDerWaalsContact OD1-N 3.11Å; D570-A573 WeakPolarHBondContact OD2-CB 3.44Å; A573-K576 PolarHBondContact O-N 3.49Å; A573-R577 VanDerWaalsContact O-CG 3.3Å; A573-R577 WeakPolarHBondContact O-CG 3.43Å; A573-R577 PolarHBondContact O-N 3.1Å
574	E	78.9	Confident	72.6	Confident	98 Å²	98	104.9 Å²	104.9	46%	0.458	49%	0.493	S	S	.	.	H	α-helix	trans	-62.7	-50.7	177	-171.1	166.1	-154.6	0	0	111.5	D570 K576 R577 D578	D570-E574 PolarHBondContact O-N 2.92Å; E574-K576 VanDerWaalsContact C-N 3.29Å; E574-K576 PolarHBondContact O-N 3.02Å; E574-R577 CarbonylContact O-C 3.39Å; E574-R577 WeakPolarHBondContact O-CA 3.48Å; E574-R577 WeakPolarHBondContact O-CB 3.48Å; E574-R577 PolarHBondContact O-N 3.47Å; E574-D578 PolarHBondContact O-N 3.33Å
575	R	78.3	Confident	74.1	Confident	98 Å²	98	107.7 Å²	107.7	37%	0.37	49%	0.494	S	S	.	.	H	α-helix	trans	-60.7	-35.9	176	-82	-70.3	178.8	179.6	-2.6	113.5	W571 R577 D578 K579	W571-R575 HydrophobicContact CD2-CG 4.3Å; W571-R575 HydrophobicContact CH2-CG 4.28Å; W571-R575 HydrophobicContact CZ2-CG 3.99Å; W571-R575 WeakPolarHBondContact O-CB 3.4Å; W571-R575 PolarHBondContact O-N 3.49Å; R575-R577 VanDerWaalsContact C-N 3.34Å; R575-D578 PolarHBondContact O-N 3.02Å; R575-K579 WeakPolarHBondContact O-CG 3.46Å; R575-K579 PolarHBondContact O-N 2.93Å
576	K	79.8	Confident	75.1	Confident	143 Å²	143	107.3 Å²	107.3	62%	0.622	49%	0.488	S	S	*	.	H	α-helix	trans	-67.3	-35.5	174.7	-169	175.5	-175	176.2	0	111.7	F572 A573 E574 K580	F572-K576 VanDerWaalsContact O-CB 3.28Å; F572-K576 WeakPolarHBondContact O-CB 3.46Å; F572-K576 PolarHBondContact O-N 3.33Å; A573-K576 PolarHBondContact O-N 3.49Å; E574-K576 VanDerWaalsContact C-N 3.29Å; E574-K576 PolarHBondContact O-N 3.02Å; K576-K580 WeakPolarHBondContact O-CG 3.48Å; K576-K580 PolarHBondContact O-N 3.13Å
577	R	78	Confident	76.1	Confident	165 Å²	165	105.5 Å²	105.5	62%	0.623	48%	0.477	S	S	*	.	H	α-helix	trans	-67.8	-43.9	172.3	-69.6	173.3	-153.2	155.3	6.2	110.7	A573 E574 R575 K579 K580 T581	A573-R577 VanDerWaalsContact O-CG 3.3Å; A573-R577 WeakPolarHBondContact O-CG 3.43Å; A573-R577 PolarHBondContact O-N 3.1Å; E574-R577 CarbonylContact O-C 3.39Å; E574-R577 WeakPolarHBondContact O-CA 3.48Å; E574-R577 WeakPolarHBondContact O-CB 3.48Å; E574-R577 PolarHBondContact O-N 3.47Å; R575-R577 VanDerWaalsContact C-N 3.34Å; R577-K579 PolarHBondContact O-N 3.48Å; R577-K580 WeakPolarHBondContact O-CB 3.47Å; R577-K580 PolarHBondContact O-N 3.34Å; R577-T581 PolarHBondContact O-N 3.04Å; R577-T581 PolarHBondContact O-OG1 3.38Å
578	D	79.9	Confident	76.7	Confident	65 Å²	65	98 Å²	98	35%	0.348	46%	0.458	S	S	.	.	H	α-helix	trans	-61	-47.5	178.3	-70.5	-17.8	0	0	0	112.3	E574 R575 K580 T581 I582	E574-D578 PolarHBondContact O-N 3.33Å; R575-D578 PolarHBondContact O-N 3.02Å; D578-K580 VanDerWaalsContact C-N 3.28Å; D578-K580 PolarHBondContact O-N 2.96Å; D578-T581 PolarHBondContact O-N 3.43Å; D578-T581 VanDerWaalsContact O-N 3.11Å; D578-I582 WeakPolarHBondContact O-CB 3.16Å; D578-I582 VanDerWaalsContact O-CG1 3.26Å; D578-I582 WeakPolarHBondContact O-CG1 3.38Å; D578-I582 PolarHBondContact O-N 2.96Å
579	K	79.9	Confident	76.2	Confident	110 Å²	110	96.4 Å²	96.4	48%	0.478	46%	0.461	S	S	.	.	H	α-helix	trans	-58.7	-39.8	175.6	-74.8	-178.2	177.4	179.8	0	111.6	E274 R575 R577 G583	E274-K579 WeakPolarHBondContact OE1-CE 3.46Å; E274-K579 IonicContact OE1-NZ 3.76Å; E274-K579 PolarHBondContact OE1-NZ 3.29Å; E274-K579 IonicContact OE2-NZ 2.75Å; E274-K579 PolarHBondContact OE2-NZ 3.32Å; R575-K579 WeakPolarHBondContact O-CG 3.46Å; R575-K579 PolarHBondContact O-N 2.93Å; R577-K579 PolarHBondContact O-N 3.48Å; K579-G583 PolarHBondContact O-N 3.07Å
580	K	77.1	Confident	75.5	Confident	130 Å²	130	99.2 Å²	99.2	57%	0.565	47%	0.47	S	S	*	.	H	α-helix	trans	-65.9	-41.9	174.3	-78	179.9	177.5	-175.6	0	112.2	K576 R577 D578 G583 R584	K576-K580 WeakPolarHBondContact O-CG 3.48Å; K576-K580 PolarHBondContact O-N 3.13Å; R577-K580 WeakPolarHBondContact O-CB 3.47Å; R577-K580 PolarHBondContact O-N 3.34Å; D578-K580 VanDerWaalsContact C-N 3.28Å; D578-K580 PolarHBondContact O-N 2.96Å; K580-G583 PolarHBondContact O-N 3.36Å; K580-R584 WeakPolarHBondContact O-CG 3.46Å; K580-R584 PolarHBondContact O-N 2.96Å
581	T	76.6	Confident	74.7	Confident	63 Å²	63	98.6 Å²	98.6	39%	0.387	47%	0.472	S	S	.	.	H	α-helix	trans	-67.7	-42.5	179.3	-56.7	0	0	0	0	111.4	R577 D578 R584 K585	R577-T581 PolarHBondContact O-N 3.04Å; R577-T581 PolarHBondContact O-OG1 3.38Å; D578-T581 PolarHBondContact O-N 3.43Å; D578-T581 VanDerWaalsContact O-N 3.11Å; T581-R584 PolarHBondContact O-N 3.39Å; T581-K585 WeakPolarHBondContact O-CG 3.29Å; T581-K585 PolarHBondContact O-N 3.18Å
582	I	76.7	Confident	73.4	Confident	95 Å²	95	103.9 Å²	103.9	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-62.7	-45.9	173.7	-66.6	164.3	0	0	0	110.2	D578 R584 K585 L586	D578-I582 WeakPolarHBondContact O-CB 3.16Å; D578-I582 VanDerWaalsContact O-CG1 3.26Å; D578-I582 WeakPolarHBondContact O-CG1 3.38Å; D578-I582 PolarHBondContact O-N 2.96Å; I582-R584 VanDerWaalsContact C-N 3.3Å; I582-R584 PolarHBondContact O-N 2.96Å; I582-K585 PolarHBondContact O-N 3.04Å; I582-K585 VanDerWaalsContact O-N 3.16Å; I582-L586 HydrophobicContact CG2-CD1 3.86Å; I582-L586 HydrophobicContact CG2-CG 4.42Å; I582-L586 WeakPolarHBondContact O-CB 3.27Å; I582-L586 WeakPolarHBondContact O-CG 3.39Å; I582-L586 PolarHBondContact O-N 3.12Å
583	G	74.6	Confident	72.2	Confident	30 Å²	30	107.8 Å²	107.8	31%	0.309	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-38.3	175.2	0	0	0	0	0	113.1	K579 K580 K587	K579-G583 PolarHBondContact O-N 3.07Å; K580-G583 PolarHBondContact O-N 3.36Å; G583-K587 WeakPolarHBondContact O-CG 3.45Å; G583-K587 PolarHBondContact O-N 3.34Å
584	R	75.2	Confident	71	Confident	183 Å²	183	116.5 Å²	116.5	69%	0.691	54%	0.541	S	S	*	.	H	α-helix	trans	-66.1	-45.2	172.6	-76.6	175	174.1	173.6	-3.7	111.9	K580 T581 I582 L586 K587 V588	K580-R584 WeakPolarHBondContact O-CG 3.46Å; K580-R584 PolarHBondContact O-N 2.96Å; T581-R584 PolarHBondContact O-N 3.39Å; I582-R584 VanDerWaalsContact C-N 3.3Å; I582-R584 PolarHBondContact O-N 2.96Å; R584-L586 PolarHBondContact O-N 3.05Å; R584-K587 PolarHBondContact O-N 3.47Å; R584-V588 VanDerWaalsContact O-CG2 3.29Å; R584-V588 WeakPolarHBondContact O-CG2 3.41Å; R584-V588 PolarHBondContact O-N 3.33Å
585	K	73.1	Confident	69.7	Low	149 Å²	149	119.5 Å²	119.5	65%	0.648	55%	0.552	S	S	*	*	H	α-helix	trans	-62.4	-40.2	177.1	-74.9	-178.1	177.7	-178	0	112.3	T581 I582 V588 S589	T581-K585 WeakPolarHBondContact O-CG 3.29Å; T581-K585 PolarHBondContact O-N 3.18Å; I582-K585 PolarHBondContact O-N 3.04Å; I582-K585 VanDerWaalsContact O-N 3.16Å; K585-V588 PolarHBondContact O-N 2.82Å; K585-S589 WeakPolarHBondContact O-CB 3.47Å; K585-S589 PolarHBondContact O-N 3.35Å; K585-S589 PolarHBondContact O-OG 3.17Å
586	L	72.5	Confident	68.4	Low	98 Å²	98	120.9 Å²	120.9	51%	0.513	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-42	175.2	-75	166.7	0	0	0	112	I582 R584 S589 Q590	I582-L586 HydrophobicContact CG2-CD1 3.86Å; I582-L586 HydrophobicContact CG2-CG 4.42Å; I582-L586 WeakPolarHBondContact O-CB 3.27Å; I582-L586 WeakPolarHBondContact O-CG 3.39Å; I582-L586 PolarHBondContact O-N 3.12Å; R584-L586 PolarHBondContact O-N 3.05Å; L586-S589 VanDerWaalsContact CA-OG 3.31Å; L586-S589 WeakPolarHBondContact CA-OG 3.46Å; L586-S589 PolarHBondContact O-N 3.44Å; L586-S589 PolarHBondContact O-OG 3.27Å; L586-Q590 WeakPolarHBondContact O-CB 3.41Å; L586-Q590 WeakPolarHBondContact O-CG 3.37Å; L586-Q590 PolarHBondContact O-N 2.68Å
587	K	71.6	Confident	66.8	Low	149 Å²	149	116.7 Å²	116.7	65%	0.648	56%	0.563	S	S	*	*	H	α-helix	trans	-63.2	-44.8	173.9	-75.2	-174.9	179.7	-169.8	0	112	G583 R584 S589 Q590 S591	G583-K587 WeakPolarHBondContact O-CG 3.45Å; G583-K587 PolarHBondContact O-N 3.34Å; R584-K587 PolarHBondContact O-N 3.47Å; K587-S589 PolarHBondContact O-N 3.37Å; K587-Q590 PolarHBondContact O-N 3.14Å; K587-S591 PolarHBondContact O-N 3.24Å; K587-S591 PolarHBondContact O-OG 2.95Å
588	V	72.3	Confident	65.2	Low	86 Å²	86	113.8 Å²	113.8	52%	0.521	57%	0.567	S	S	.	*	H	α-helix	trans	-63.2	-40.2	178.5	172.6	0	0	0	0	111.8	R584 K585 S591 K592	R584-V588 VanDerWaalsContact O-CG2 3.29Å; R584-V588 WeakPolarHBondContact O-CG2 3.41Å; R584-V588 PolarHBondContact O-N 3.33Å; K585-V588 PolarHBondContact O-N 2.82Å; V588-S591 PolarHBondContact O-N 2.96Å; V588-K592 PolarHBondContact O-N 3.2Å
589	S	63.5	Low	63.6	Low	58 Å²	58	117.3 Å²	117.3	41%	0.406	59%	0.585	S	S	.	*	H	α-helix	trans	-70	-35.2	176.9	45	0	0	0	0	112.9	K585 L586 K587 K592 K593	K585-S589 WeakPolarHBondContact O-CB 3.47Å; K585-S589 PolarHBondContact O-N 3.35Å; K585-S589 PolarHBondContact O-OG 3.17Å; L586-S589 VanDerWaalsContact CA-OG 3.31Å; L586-S589 WeakPolarHBondContact CA-OG 3.46Å; L586-S589 PolarHBondContact O-N 3.44Å; L586-S589 PolarHBondContact O-OG 3.27Å; K587-S589 PolarHBondContact O-N 3.37Å; S589-K592 PolarHBondContact O-N 3.3Å; S589-K593 PolarHBondContact O-N 2.81Å
590	Q	61.5	Low	61.8	Low	131 Å²	131	116.4 Å²	116.4	61%	0.612	59%	0.593	S	S	*	*	H	α-helix	trans	-66.9	-39.9	170.8	-74.7	-178.6	-9.8	0	0	112.5	L586 K587 K592 K593 R594	L586-Q590 WeakPolarHBondContact O-CB 3.41Å; L586-Q590 WeakPolarHBondContact O-CG 3.37Å; L586-Q590 PolarHBondContact O-N 2.68Å; K587-Q590 PolarHBondContact O-N 3.14Å; Q590-K592 VanDerWaalsContact C-N 3.35Å; Q590-K593 PolarHBondContact O-N 2.92Å; Q590-R594 PolarHBondContact O-N 2.82Å
591	S	61.3	Low	60.1	Low	75 Å²	75	117.7 Å²	117.7	52%	0.524	61%	0.606	S	S	.	*	H	α-helix	trans	-64	-38.4	174.2	-55.7	0	0	0	0	112.2	K587 V588 R594 K595	K587-S591 PolarHBondContact O-N 3.24Å; K587-S591 PolarHBondContact O-OG 2.95Å; V588-S591 PolarHBondContact O-N 2.96Å; S591-R594 PolarHBondContact O-N 2.97Å; S591-K595 PolarHBondContact O-N 3.33Å; S591-K595 VanDerWaalsContact O-N 3.12Å
592	K	54.3	Low	58.3	Low	143 Å²	143	119.9 Å²	119.9	62%	0.622	62%	0.624	S	S	*	*	H	α-helix	trans	-66	-41	173.7	-81.7	-173.3	174.7	-174.2	0	112.4	V588 S589 Q590 R594 K595 I596	V588-K592 PolarHBondContact O-N 3.2Å; S589-K592 PolarHBondContact O-N 3.3Å; Q590-K592 VanDerWaalsContact C-N 3.35Å; K592-R594 VanDerWaalsContact C-N 3.34Å; K592-R594 PolarHBondContact O-N 2.92Å; K592-K595 PolarHBondContact O-N 3.41Å; K592-I596 WeakPolarHBondContact O-CG1 3.44Å; K592-I596 PolarHBondContact O-N 3.28Å
593	K	53.6	Low	56.7	Low	171 Å²	171	128.3 Å²	128.3	74%	0.743	66%	0.661	S	S	*	*	H	α-helix	trans	-63.2	-37.3	174.4	-95.6	-175.7	173	-176.9	0	112.9	S589 Q590 I596 G597	S589-K593 PolarHBondContact O-N 2.81Å; Q590-K593 PolarHBondContact O-N 2.92Å; K593-I596 PolarHBondContact O-N 2.93Å; K593-G597 PolarHBondContact O-N 2.9Å; K593-G597 VanDerWaalsContact O-N 3.11Å
594	R	52.5	Low	55.8	Low	207 Å²	207	133.2 Å²	133.2	78%	0.781	68%	0.679	S	S	*	*	H	α-helix	trans	-67	-34.2	174.2	-81.2	-176.4	163.3	179	-5.4	113.2	Q590 S591 K592	Q590-R594 PolarHBondContact O-N 2.82Å; S591-R594 PolarHBondContact O-N 2.97Å; K592-R594 VanDerWaalsContact C-N 3.34Å; K592-R594 PolarHBondContact O-N 2.92Å
595	K	50.6	Low	54.8	Low	161 Å²	161	130.6 Å²	130.6	70%	0.7	68%	0.678	S	S	*	*	H	α-helix	trans	-69.5	-42.7	173.3	-90.8	-172.9	168.7	-171	0	112.5	S591 K592 G597 C598	S591-K595 PolarHBondContact O-N 3.33Å; S591-K595 VanDerWaalsContact O-N 3.12Å; K592-K595 PolarHBondContact O-N 3.41Å; K595-G597 VanDerWaalsContact C-N 3.26Å; K595-G597 PolarHBondContact O-N 2.76Å; K595-C598 PolarHBondContact O-N 3.21Å
596	I	52.2	Low	53.7	Low	127 Å²	127	129.6 Å²	129.6	65%	0.651	68%	0.68	S	S	*	*	H	α-helix	trans	-66.3	-29.7	179.2	-65	163.3	0	0	0	111.7	K592 K593 C598	K592-I596 WeakPolarHBondContact O-CG1 3.44Å; K592-I596 PolarHBondContact O-N 3.28Å; K593-I596 PolarHBondContact O-N 2.93Å; I596-C598 VanDerWaalsContact C-N 3.34Å; I596-C598 PolarHBondContact O-N 2.9Å
597	G	45.6	Very low	52.6	Low	55 Å²	55	131.4 Å²	131.4	57%	0.567	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-5.1	177.6	0	0	0	0	0	116.1	K593 K595	K593-G597 PolarHBondContact O-N 2.9Å; K593-G597 VanDerWaalsContact O-N 3.11Å; K595-G597 VanDerWaalsContact C-N 3.26Å; K595-G597 PolarHBondContact O-N 2.76Å
598	C	43.5	Very low	51.4	Low	103 Å²	103	130.3 Å²	130.3	70%	0.696	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-10.8	177.3	-83.7	0	0	0	0	113.8	K595 I596	K595-C598 PolarHBondContact O-N 3.21Å; I596-C598 VanDerWaalsContact C-N 3.34Å; I596-C598 PolarHBondContact O-N 2.9Å
599	D	46.7	Very low	50.1	Low	139 Å²	139	133.3 Å²	133.3	74%	0.743	70%	0.704	S	S	*	*	S	Bend	trans	-102.4	28.6	-175.6	-66.9	-20	0	0	0	112.7
600	S	43.4	Very low	49.1	Very low	91 Å²	91	138.6 Å²	138.6	64%	0.636	73%	0.725	S	S	*	*	S	Bend	trans	-118.2	9	177.5	31.7	0	0	0	0	115.7
601	D	41.2	Very low	48.1	Very low	157 Å²	157	139.2 Å²	139.2	84%	0.84	73%	0.734	S	S	*	*	S	Bend	trans	-121.6	72.1	171.7	-68.8	-30.8	0	0	0	109.7
602	S	39.2	Very low	47	Very low	109 Å²	109	144.6 Å²	144.6	76%	0.762	75%	0.751	S	S	*	*			trans	-173.3	71.9	162.5	26.5	0	0	0	0	111.5
603	E	41.9	Very low	46.4	Very low	272 Å²	272	144.7 Å²	144.7	100%	1.271	76%	0.763	S	S	*	*			trans	-121	0	144.9	-76.1	-174.6	167	0	0	106.7

Retrieved 603 of 603 residues in 1027.8 ms (Link to these results)

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