A0A3Q0KLU2_SCHMA Loading...

Polymyositis/scleroderma autoantigen-related

AlphaFold DB , UniProt , Accession A0A3Q0KLU2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 873 aa.

						>A0A3Q0KLU2_SCHMA|A0A3Q0KLU2
MSFQTQSEENVIECKKVDLTTKLLPTVARAVKLSQEFPVSDTPAYIYYNDFPQYKAIAAGQSKKILSILQNVLDILDAKANILDVPVTKSMHEKFTSIIDANDRILEKLAMAMDFEEDPQRKAFFLKTRSEDLVVAVHRKNTTSLEWLKTKNSNEETNEGVDLSENSLKLLSSKHIVRPQTSFTTPPDNSYSSFRPKIKSKPNCIQPLPELLSNDNGESTDYPHPYKVELETFGNNLPSLNEMMSEDFPVKPLDSSYQYVDTLDTLEQIMKSLSMCKYIAVDLEHHSYRSFLGITCLIQMSTLGSDYIIDALALRDHLSILNEVFTDPKIVKVFHGSDSDLMWLQRDFGVYVVNLFDTGIAARLLQYGRFSLSYLLQRFVGIYANKKYQLADWRIRPLPNELIEYARSDTHYLLHIASRMCRELQDRDLLSVAIERARQLCLRCYTKPVFNRLGYLDLYRQTGSSSFSHRQLYALENLYALRDSIARREDESLHYVLPNHMLKVIAEVLPRESSGIFACCNPIPPLVRKYVHDLHKIIVDARNLPITDLPLTSEEPRLSTQPNSQQQENDKRSSVNIPNTQNLRYALPHDYSREIHLLVNSPDYSDVTCTELSTNKKSSMLASALLPNHCLAGIKVNEQQDMNESPENQLFRDKFLDPNHLLLMKLLELLKFPCSPLTTENKSSTDTNTSIPIVVSQQPLLQESSDTLNTSEPVVKADGDTTQDDPSMNDSQYSIVSDNGYPNKLKRSYNSEIIVKTTPNFGDDEVILLYNKKKNNKGKKRRKTYEQQKSILQPDSNSNSSVQNHLNTNMEIDDVSTLIKCESCPEQLEDSSADYSSSFNAPPVESSTNSASKKKKRPVKKFKEFRVSRPKHQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	39.4	Very low	36.8	Very low	195 Å²	195	114.9 Å²	114.9	96%	0.961	60%	0.595	S	S	*	*				0	-73.6	0	-70.9	-177.6	175.7	0	0	111.9	F3 Q4	M1-F3 VanDerWaalsContact C-N 3.26Å; M1-F3 PolarHBondContact O-N 2.94Å; M1-F3 VanDerWaalsContact O-N 3.07Å; M1-Q4 PolarHBondContact O-N 3.02Å
2	S	31.8	Very low	37.6	Very low	88 Å²	88	113.6 Å²	113.6	62%	0.615	59%	0.588	S	S	*	*	H	α-helix	trans	-54.5	-29.9	-176.5	48.4	0	0	0	0	116.5	T5	S2-T5 PolarHBondContact O-OG1 3.12Å; S2-T5 VanDerWaalsContact O-OG1 3.14Å
3	F	29.2	Very low	38.1	Very low	172 Å²	172	114.8 Å²	114.8	75%	0.754	59%	0.589	S	S	*	*	H	α-helix	trans	-76	-21	175.5	-89.7	-85.4	0	0	0	114.8	M1	M1-F3 VanDerWaalsContact C-N 3.26Å; M1-F3 PolarHBondContact O-N 2.94Å; M1-F3 VanDerWaalsContact O-N 3.07Å
4	Q	35.3	Very low	38.5	Very low	130 Å²	130	112.9 Å²	112.9	61%	0.607	59%	0.589	S	S	*	*	H	α-helix	trans	-83.3	-40.5	-178.6	-75.2	165.3	-73.1	0	0	111.6	M1 Q6 S7 E8	M1-Q4 PolarHBondContact O-N 3.02Å; Q4-Q6 VanDerWaalsContact C-N 3.31Å; Q4-Q6 PolarHBondContact O-N 2.85Å; Q4-S7 PolarHBondContact O-N 3.04Å; Q4-S7 PolarHBondContact O-OG 3.33Å; Q4-E8 PolarHBondContact O-N 3.32Å
5	T	36.3	Very low	39.4	Very low	76 Å²	76	115.1 Å²	115.1	47%	0.466	59%	0.592	S	S	.	*	H	α-helix	trans	-59.1	-43.6	175.6	51.6	0	0	0	0	111.5	S2 S7 E8 E9	S2-T5 PolarHBondContact O-OG1 3.12Å; S2-T5 VanDerWaalsContact O-OG1 3.14Å; T5-S7 VanDerWaalsContact C-N 3.28Å; T5-S7 PolarHBondContact O-N 3.05Å; T5-E8 PolarHBondContact O-N 3.4Å; T5-E8 VanDerWaalsContact O-N 3.16Å; T5-E9 WeakPolarHBondContact O-CG 3.38Å; T5-E9 PolarHBondContact O-N 3.43Å
6	Q	32.7	Very low	40.4	Very low	107 Å²	107	116.7 Å²	116.7	50%	0.5	59%	0.594	S	S	.	*	H	α-helix	trans	-61.1	-33.8	175.6	-72	-173.7	-23.6	0	0	112.9	Q4 N10	Q4-Q6 VanDerWaalsContact C-N 3.31Å; Q4-Q6 PolarHBondContact O-N 2.85Å; Q6-N10 WeakPolarHBondContact O-CB 3.41Å; Q6-N10 PolarHBondContact O-N 2.9Å; Q6-N10 PolarHBondContact O-ND2 2.84Å
7	S	38.5	Very low	41.2	Very low	65 Å²	65	114.2 Å²	114.2	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-70.4	-34.5	176.6	63.3	0	0	0	0	113	Q4 T5 V11	Q4-S7 PolarHBondContact O-N 3.04Å; Q4-S7 PolarHBondContact O-OG 3.33Å; T5-S7 VanDerWaalsContact C-N 3.28Å; T5-S7 PolarHBondContact O-N 3.05Å; S7-V11 VanDerWaalsContact O-CG2 3.28Å; S7-V11 WeakPolarHBondContact O-CG2 3.26Å; S7-V11 PolarHBondContact O-N 3.16Å
8	E	36.9	Very low	42.5	Very low	127 Å²	127	111.8 Å²	111.8	59%	0.593	57%	0.574	S	S	*	*	H	α-helix	trans	-73.4	-42.3	177.2	-66.1	-175.7	142.9	0	0	111.9	Q4 T5 N10 V11 I12	Q4-E8 PolarHBondContact O-N 3.32Å; T5-E8 PolarHBondContact O-N 3.4Å; T5-E8 VanDerWaalsContact O-N 3.16Å; E8-N10 PolarHBondContact O-N 2.88Å; E8-V11 PolarHBondContact O-N 3.45Å; E8-I12 VanDerWaalsContact O-CG1 3.32Å; E8-I12 WeakPolarHBondContact O-CG1 3.5Å; E8-I12 PolarHBondContact O-N 3.02Å
9	E	39.7	Very low	43.6	Very low	126 Å²	126	111.5 Å²	111.5	59%	0.589	57%	0.573	S	S	*	*	H	α-helix	trans	-58.4	-48.5	175.1	-70.7	176.8	137.7	0	0	111.6	T5 V11 I12 E13	T5-E9 WeakPolarHBondContact O-CG 3.38Å; T5-E9 PolarHBondContact O-N 3.43Å; E9-V11 VanDerWaalsContact C-N 3.32Å; E9-V11 PolarHBondContact O-N 2.96Å; E9-I12 PolarHBondContact O-N 3.12Å; E9-E13 PolarHBondContact O-N 3.18Å
10	N	37.2	Very low	44.9	Very low	103 Å²	103	110.3 Å²	110.3	55%	0.551	57%	0.571	S	S	*	*	H	α-helix	trans	-60.2	-39	176.4	-84.5	-83.8	0	0	0	112.4	Q6 E8 E13 C14	Q6-N10 WeakPolarHBondContact O-CB 3.41Å; Q6-N10 PolarHBondContact O-N 2.9Å; Q6-N10 PolarHBondContact O-ND2 2.84Å; E8-N10 PolarHBondContact O-N 2.88Å; N10-E13 PolarHBondContact O-N 3.05Å; N10-C14 VanDerWaalsContact O-CB 3.27Å; N10-C14 WeakPolarHBondContact O-CB 3.41Å; N10-C14 PolarHBondContact O-N 3.3Å
11	V	48	Very low	46.4	Very low	75 Å²	75	108.9 Å²	108.9	46%	0.455	57%	0.567	S	S	.	*	H	α-helix	trans	-68.3	-36.7	177.2	166.3	0	0	0	0	111.9	S7 E8 E9 K15	S7-V11 VanDerWaalsContact O-CG2 3.28Å; S7-V11 WeakPolarHBondContact O-CG2 3.26Å; S7-V11 PolarHBondContact O-N 3.16Å; E8-V11 PolarHBondContact O-N 3.45Å; E9-V11 VanDerWaalsContact C-N 3.32Å; E9-V11 PolarHBondContact O-N 2.96Å; V11-K15 HydrophobicContact CG1-CD 4.19Å; V11-K15 WeakPolarHBondContact O-CB 3.49Å; V11-K15 WeakPolarHBondContact O-CD 3.46Å; V11-K15 VanDerWaalsContact O-CG 3.24Å; V11-K15 WeakPolarHBondContact O-CG 3.38Å; V11-K15 PolarHBondContact O-N 2.94Å
12	I	46.2	Very low	48.3	Very low	99 Å²	99	105.3 Å²	105.3	51%	0.508	55%	0.546	S	S	.	.	H	α-helix	trans	-68.3	-43	175.5	-68.1	163.3	0	0	0	110.6	E8 E9 K15 K16	E8-I12 VanDerWaalsContact O-CG1 3.32Å; E8-I12 WeakPolarHBondContact O-CG1 3.5Å; E8-I12 PolarHBondContact O-N 3.02Å; E9-I12 PolarHBondContact O-N 3.12Å; I12-K15 PolarHBondContact O-N 3.36Å; I12-K16 PolarHBondContact O-N 3.03Å; I12-K16 VanDerWaalsContact O-N 3.17Å
13	E	44.6	Very low	50.4	Low	130 Å²	130	105.5 Å²	105.5	61%	0.607	54%	0.54	S	S	*	.	H	α-helix	trans	-67.2	-45.1	179.8	-171.2	155.6	-125.7	0	0	112	E9 N10 K15 K16 V17	E9-E13 PolarHBondContact O-N 3.18Å; N10-E13 PolarHBondContact O-N 3.05Å; E13-K15 VanDerWaalsContact C-N 3.3Å; E13-K15 PolarHBondContact O-N 2.91Å; E13-K16 WeakPolarHBondContact O-CB 3.34Å; E13-K16 PolarHBondContact O-N 2.96Å; E13-V17 PolarHBondContact O-N 3.09Å; E13-V17 VanDerWaalsContact O-N 3.09Å
14	C	43.3	Very low	52.8	Low	87 Å²	87	102.9 Å²	102.9	59%	0.588	53%	0.533	S	S	*	.	H	α-helix	trans	-59.3	-40	176.3	-155.6	0	0	0	0	112	N10 K16 V17 D18	N10-C14 VanDerWaalsContact O-CB 3.27Å; N10-C14 WeakPolarHBondContact O-CB 3.41Å; N10-C14 PolarHBondContact O-N 3.3Å; C14-K16 PolarHBondContact O-N 3.21Å; C14-V17 PolarHBondContact O-N 3.35Å; C14-D18 PolarHBondContact O-N 3.21Å; C14-D18 VanDerWaalsContact O-N 3.12Å
15	K	52.6	Low	55.2	Low	146 Å²	146	99.4 Å²	99.4	64%	0.635	52%	0.522	S	S	*	.	H	α-helix	trans	-63.3	-36.6	174	-75.3	170.2	-178.9	173.9	0	113.2	V11 I12 E13 L19	V11-K15 HydrophobicContact CG1-CD 4.19Å; V11-K15 WeakPolarHBondContact O-CB 3.49Å; V11-K15 WeakPolarHBondContact O-CD 3.46Å; V11-K15 VanDerWaalsContact O-CG 3.24Å; V11-K15 WeakPolarHBondContact O-CG 3.38Å; V11-K15 PolarHBondContact O-N 2.94Å; I12-K15 PolarHBondContact O-N 3.36Å; E13-K15 VanDerWaalsContact C-N 3.3Å; E13-K15 PolarHBondContact O-N 2.91Å; K15-L19 WeakPolarHBondContact O-CB 3.23Å; K15-L19 PolarHBondContact O-N 3.37Å
16	K	54.4	Low	57.4	Low	141 Å²	141	99 Å²	99	61%	0.613	52%	0.52	S	S	*	.	H	α-helix	trans	-66.5	-39.7	174.8	-73.4	176.4	178.4	176.1	0	112.2	I12 E13 C14 T20	I12-K16 PolarHBondContact O-N 3.03Å; I12-K16 VanDerWaalsContact O-N 3.17Å; E13-K16 WeakPolarHBondContact O-CB 3.34Å; E13-K16 PolarHBondContact O-N 2.96Å; C14-K16 PolarHBondContact O-N 3.21Å; K16-T20 PolarHBondContact O-N 2.75Å; K16-T20 PolarHBondContact O-OG1 2.82Å
17	V	54.2	Low	59.8	Low	74 Å²	74	97.3 Å²	97.3	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-64.9	-45.3	178.2	175.6	0	0	0	0	111	E13 C14 L19 T20 T21	E13-V17 PolarHBondContact O-N 3.09Å; E13-V17 VanDerWaalsContact O-N 3.09Å; C14-V17 PolarHBondContact O-N 3.35Å; V17-L19 PolarHBondContact O-N 3.45Å; V17-T20 PolarHBondContact O-N 3.27Å; V17-T20 PolarHBondContact O-OG1 3.11Å; V17-T20 VanDerWaalsContact O-OG1 3.13Å; V17-T21 HydrophobicContact CG1-CG2 4.15Å; V17-T21 WeakPolarHBondContact O-CB 3.36Å; V17-T21 WeakPolarHBondContact O-CG2 3.36Å; V17-T21 PolarHBondContact O-N 3.07Å; V17-T21 PolarHBondContact O-OG1 3.12Å
18	D	65.2	Low	62	Low	72 Å²	72	97 Å²	97	39%	0.385	52%	0.517	S	S	.	.	H	α-helix	trans	-67.6	-37.3	179.8	-101.7	16.8	0	0	0	113.1	C14 T20 K22 L23	C14-D18 PolarHBondContact O-N 3.21Å; C14-D18 VanDerWaalsContact O-N 3.12Å; D18-T20 PolarHBondContact O-N 2.91Å; D18-K22 HydrophobicContact CB-CD 4.47Å; D18-K22 WeakPolarHBondContact O-CB 3.43Å; D18-K22 PolarHBondContact O-N 3.1Å; D18-K22 WeakPolarHBondContact OD1-CD 3.41Å; D18-K22 WeakPolarHBondContact OD1-CE 3.29Å; D18-K22 IonicContact OD1-NZ 3.36Å; D18-K22 PolarHBondContact OD1-NZ 3.4Å; D18-K22 IonicContact OD2-NZ 3.51Å; D18-K22 PolarHBondContact OD2-NZ 3.05Å; D18-L23 PolarHBondContact O-N 3.21Å
19	L	63.1	Low	64.3	Low	105 Å²	105	98.2 Å²	98.2	55%	0.55	52%	0.517	S	S	.	.	I	π-helix	trans	-60.4	-45.6	175.5	-165.4	81.5	0	0	0	111.9	K15 V17 L23 L24	K15-L19 WeakPolarHBondContact O-CB 3.23Å; K15-L19 PolarHBondContact O-N 3.37Å; V17-L19 PolarHBondContact O-N 3.45Å; L19-L23 HydrophobicContact CD1-CD2 3.59Å; L19-L23 HydrophobicContact CG-CD2 4.46Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 PolarHBondContact O-N 2.93Å; L19-L24 PolarHBondContact O-N 2.89Å
20	T	69.7	Low	66.4	Low	87 Å²	87	95.1 Å²	95.1	53%	0.534	51%	0.512	S	S	.	.	I	π-helix	trans	-78.2	-38.6	-176.2	49.4	0	0	0	0	112.9	K16 V17 D18	K16-T20 PolarHBondContact O-N 2.75Å; K16-T20 PolarHBondContact O-OG1 2.82Å; V17-T20 PolarHBondContact O-N 3.27Å; V17-T20 PolarHBondContact O-OG1 3.11Å; V17-T20 VanDerWaalsContact O-OG1 3.13Å; D18-T20 PolarHBondContact O-N 2.91Å
21	T	75.8	Confident	68.7	Low	81 Å²	81	93.4 Å²	93.4	50%	0.497	51%	0.506	S	S	.	.	I	π-helix	trans	-85.9	-33.6	-175.5	60.1	0	0	0	0	114.4	V17 P25	V17-T21 HydrophobicContact CG1-CG2 4.15Å; V17-T21 WeakPolarHBondContact O-CB 3.36Å; V17-T21 WeakPolarHBondContact O-CG2 3.36Å; V17-T21 PolarHBondContact O-N 3.07Å; V17-T21 PolarHBondContact O-OG1 3.12Å; T21-P25 WeakPolarHBondContact O-CG 3.37Å
22	K	79	Confident	70.6	Confident	120 Å²	120	95.6 Å²	95.6	52%	0.522	51%	0.509	S	S	.	.	I	π-helix	trans	-106.6	-47.7	-174.9	-62.8	170.3	-177.1	161.4	0	113.1	D18 T26	D18-K22 HydrophobicContact CB-CD 4.47Å; D18-K22 WeakPolarHBondContact O-CB 3.43Å; D18-K22 PolarHBondContact O-N 3.1Å; D18-K22 WeakPolarHBondContact OD1-CD 3.41Å; D18-K22 WeakPolarHBondContact OD1-CE 3.29Å; D18-K22 IonicContact OD1-NZ 3.36Å; D18-K22 PolarHBondContact OD1-NZ 3.4Å; D18-K22 IonicContact OD2-NZ 3.51Å; D18-K22 PolarHBondContact OD2-NZ 3.05Å; K22-T26 WeakPolarHBondContact O-CB 3.39Å; K22-T26 PolarHBondContact O-N 3.25Å; K22-T26 PolarHBondContact O-OG1 3.41Å
23	L	76.9	Confident	72.5	Confident	93 Å²	93	96.2 Å²	96.2	49%	0.487	51%	0.513	S	S	.	.	I	π-helix	trans	-72.7	-53	-173.7	-175.8	66.2	0	0	0	111.6	D18 L19 T26 V27	D18-L23 PolarHBondContact O-N 3.21Å; L19-L23 HydrophobicContact CD1-CD2 3.59Å; L19-L23 HydrophobicContact CG-CD2 4.46Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 PolarHBondContact O-N 2.93Å; L23-T26 WeakPolarHBondContact O-CA 3.28Å; L23-T26 WeakPolarHBondContact O-CB 3.35Å; L23-T26 PolarHBondContact O-N 3.47Å; L23-V27 HydrophobicContact CD1-CG2 4.12Å; L23-V27 HydrophobicContact CG-CG2 4.19Å; L23-V27 PolarHBondContact O-N 3.41Å
24	L	78.7	Confident	74.3	Confident	116 Å²	116	93.7 Å²	93.7	61%	0.607	51%	0.509	S	S	*	.	H	α-helix	trans	-58.4	-45.6	-174.9	-177.4	65	0	0	0	113.5	L19 T26 V27 A28	L19-L24 PolarHBondContact O-N 2.89Å; L24-T26 PolarHBondContact O-N 3.44Å; L24-V27 PolarHBondContact O-N 3.44Å; L24-A28 WeakPolarHBondContact O-CB 3.36Å; L24-A28 PolarHBondContact O-N 3.18Å
25	P	85.4	Confident	76.2	Confident	58 Å²	58	96.4 Å²	96.4	38%	0.377	51%	0.513	S	S	.	.	H	α-helix	trans	-67.8	-21.3	174.4	-22.6	36.6	0	0	0	113.9	T21 R29	T21-P25 WeakPolarHBondContact O-CG 3.37Å; P25-R29 VanDerWaalsContact O-CG 3.26Å; P25-R29 WeakPolarHBondContact O-CG 3.4Å; P25-R29 PolarHBondContact O-N 3.13Å; P25-R29 PolarHBondContact O-NE 2.81Å; P25-R29 VanDerWaalsContact O-NE 3.09Å
26	T	83.6	Confident	77.6	Confident	67 Å²	67	94.9 Å²	94.9	41%	0.411	51%	0.509	S	S	.	.	H	α-helix	trans	-80.4	-40.4	176	-57.6	0	0	0	0	111.2	K22 L23 L24 R29 A30	K22-T26 WeakPolarHBondContact O-CB 3.39Å; K22-T26 PolarHBondContact O-N 3.25Å; K22-T26 PolarHBondContact O-OG1 3.41Å; L23-T26 WeakPolarHBondContact O-CA 3.28Å; L23-T26 WeakPolarHBondContact O-CB 3.35Å; L23-T26 PolarHBondContact O-N 3.47Å; L24-T26 PolarHBondContact O-N 3.44Å; T26-R29 PolarHBondContact O-N 3.03Å; T26-R29 PolarHBondContact OG1-NH2 3.12Å; T26-A30 PolarHBondContact O-N 2.94Å
27	V	83	Confident	78.9	Confident	71 Å²	71	93.7 Å²	93.7	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-62.2	-45	170	176	0	0	0	0	110.6	L23 L24 R29 A30 V31	L23-V27 HydrophobicContact CD1-CG2 4.12Å; L23-V27 HydrophobicContact CG-CG2 4.19Å; L23-V27 PolarHBondContact O-N 3.41Å; L24-V27 PolarHBondContact O-N 3.44Å; V27-R29 VanDerWaalsContact C-N 3.33Å; V27-R29 PolarHBondContact O-N 3.43Å; V27-A30 PolarHBondContact O-N 3.28Å; V27-A30 VanDerWaalsContact O-N 3.12Å; V27-V31 HydrophobicContact CG1-CG2 4.41Å; V27-V31 WeakPolarHBondContact O-CG2 3.1Å; V27-V31 PolarHBondContact O-N 3.23Å
28	A	84	Confident	80	Confident	58 Å²	58	91.9 Å²	91.9	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-59.4	-40.9	176.8	0	0	0	0	0	112.8	L24 V31 K32	L24-A28 WeakPolarHBondContact O-CB 3.36Å; L24-A28 PolarHBondContact O-N 3.18Å; A28-V31 PolarHBondContact O-N 3.27Å; A28-K32 PolarHBondContact O-N 2.88Å
29	R	86.3	Confident	80.6	Confident	154 Å²	154	92.6 Å²	92.6	58%	0.581	50%	0.5	S	S	*	.	H	α-helix	trans	-64.3	-42.2	172.8	-75.9	178.6	-65.7	170.1	4	112.3	P25 T26 V27 K32 L33	P25-R29 VanDerWaalsContact O-CG 3.26Å; P25-R29 WeakPolarHBondContact O-CG 3.4Å; P25-R29 PolarHBondContact O-N 3.13Å; P25-R29 PolarHBondContact O-NE 2.81Å; P25-R29 VanDerWaalsContact O-NE 3.09Å; T26-R29 PolarHBondContact O-N 3.03Å; T26-R29 PolarHBondContact OG1-NH2 3.12Å; V27-R29 VanDerWaalsContact C-N 3.33Å; V27-R29 PolarHBondContact O-N 3.43Å; R29-K32 PolarHBondContact O-N 3.15Å; R29-L33 WeakPolarHBondContact O-CG 3.26Å; R29-L33 PolarHBondContact O-N 3.38Å
30	A	83.6	Confident	81	Confident	60 Å²	60	90.9 Å²	90.9	50%	0.496	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-40.2	176.7	0	0	0	0	0	112.4	T26 V27 L33 S34	T26-A30 PolarHBondContact O-N 2.94Å; V27-A30 PolarHBondContact O-N 3.28Å; V27-A30 VanDerWaalsContact O-N 3.12Å; A30-L33 PolarHBondContact O-N 2.81Å; A30-S34 PolarHBondContact O-N 2.87Å
31	V	85.9	Confident	81.3	Confident	68 Å²	68	93.4 Å²	93.4	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-62.1	-45.8	173.9	171.8	0	0	0	0	110.6	V27 A28 L33 S34 Q35	V27-V31 HydrophobicContact CG1-CG2 4.41Å; V27-V31 WeakPolarHBondContact O-CG2 3.1Å; V27-V31 PolarHBondContact O-N 3.23Å; A28-V31 PolarHBondContact O-N 3.27Å; V31-L33 PolarHBondContact O-N 3.35Å; V31-S34 PolarHBondContact O-N 3Å; V31-S34 VanDerWaalsContact O-N 3.12Å; V31-S34 PolarHBondContact O-OG 3.35Å; V31-Q35 WeakPolarHBondContact O-CG 3.37Å; V31-Q35 PolarHBondContact O-N 3.49Å; V31-Q35 VanDerWaalsContact O-N 3.09Å
32	K	86.6	Confident	81.5	Confident	121 Å²	121	91.8 Å²	91.8	53%	0.526	50%	0.497	S	S	.	.	H	α-helix	trans	-58.6	-47.8	176.2	-170.8	177.3	-173.6	-84.4	0	112.1	A28 R29 S34 Q35 E36	A28-K32 PolarHBondContact O-N 2.88Å; R29-K32 PolarHBondContact O-N 3.15Å; K32-S34 PolarHBondContact O-N 3Å; K32-Q35 WeakPolarHBondContact O-CB 3.24Å; K32-Q35 PolarHBondContact O-N 2.88Å; K32-E36 IonicContact NZ-OE1 3.54Å; K32-E36 PolarHBondContact NZ-OE1 2.75Å; K32-E36 PolarHBondContact O-N 3.09Å; K32-E36 VanDerWaalsContact O-N 3.12Å
33	L	86.4	Confident	81.6	Confident	112 Å²	112	91.2 Å²	91.2	59%	0.586	51%	0.506	S	S	*	.	H	α-helix	trans	-61.4	-31.3	176.5	-70	168.9	0	0	0	112.6	R29 A30 V31 E36	R29-L33 WeakPolarHBondContact O-CG 3.26Å; R29-L33 PolarHBondContact O-N 3.38Å; A30-L33 PolarHBondContact O-N 2.81Å; V31-L33 PolarHBondContact O-N 3.35Å; L33-E36 PolarHBondContact O-N 2.81Å
34	S	83.2	Confident	81.8	Confident	76 Å²	76	88.9 Å²	88.9	53%	0.531	50%	0.5	S	S	.	.	H	α-helix	trans	-72.3	-27.6	174.4	76.9	0	0	0	0	113.5	A30 V31 K32 F37	A30-S34 PolarHBondContact O-N 2.87Å; V31-S34 PolarHBondContact O-N 3Å; V31-S34 VanDerWaalsContact O-N 3.12Å; V31-S34 PolarHBondContact O-OG 3.35Å; K32-S34 PolarHBondContact O-N 3Å; S34-F37 WeakPolarHBondContact O-CB 3.33Å
35	Q	82.2	Confident	82	Confident	144 Å²	144	87.3 Å²	87.3	67%	0.673	49%	0.487	S	S	*	.	H	α-helix	trans	-79	-22.4	174.6	-68	172	-16.4	0	0	112.6	V31 K32 F37	V31-Q35 WeakPolarHBondContact O-CG 3.37Å; V31-Q35 PolarHBondContact O-N 3.49Å; V31-Q35 VanDerWaalsContact O-N 3.09Å; K32-Q35 WeakPolarHBondContact O-CB 3.24Å; K32-Q35 PolarHBondContact O-N 2.88Å; Q35-F37 VanDerWaalsContact C-N 3.25Å
36	E	82.9	Confident	81.8	Confident	115 Å²	115	89.1 Å²	89.1	54%	0.537	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4.2	173.4	-69	168.8	-173.3	0	0	112.8	K32 L33	K32-E36 IonicContact NZ-OE1 3.54Å; K32-E36 PolarHBondContact NZ-OE1 2.75Å; K32-E36 PolarHBondContact O-N 3.09Å; K32-E36 VanDerWaalsContact O-N 3.12Å; L33-E36 PolarHBondContact O-N 2.81Å
37	F	81.4	Confident	81.9	Confident	115 Å²	115	92.4 Å²	92.4	50%	0.504	50%	0.498	S	S	.	.	S	Bend	trans	-81.5	142.3	-179.6	-142.3	-97.5	0	0	0	112	S34 Q35 V39 Y54	S34-F37 WeakPolarHBondContact O-CB 3.33Å; Q35-F37 VanDerWaalsContact C-N 3.25Å; F37-V39 PolarHBondContact O-N 3.06Å; F37-V39 VanDerWaalsContact O-N 3.16Å; F37-Y54 VanDerWaalsContact CE1-OH 3.31Å; F37-Y54 WeakPolarHBondContact CE1-OH 3.37Å
38	P	76.6	Confident	82	Confident	36 Å²	36	94 Å²	94	23%	0.234	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-59	118.5	179.8	-26.7	35.8	0	0	0	113.4	A44 Y45 Y48	P38-A44 HydrophobicContact CB-CB 4.29Å; P38-A44 HydrophobicContact CG-CB 4.37Å; P38-Y45 WeakPolarHBondContact O-CD2 3.38Å; P38-Y48 HydrophobicContact CG-CD2 4.42Å
39	V	77.6	Confident	81.9	Confident	88 Å²	88	93.2 Å²	93.2	53%	0.533	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-75.5	152	174.1	-173.6	0	0	0	0	109.9	F37 D41 T42 Y45	F37-V39 PolarHBondContact O-N 3.06Å; F37-V39 VanDerWaalsContact O-N 3.16Å; V39-D41 PolarHBondContact O-N 2.74Å; V39-T42 HydrophobicContact CB-CG2 4.22Å; V39-T42 WeakPolarHBondContact O-CB 3.37Å; V39-T42 PolarHBondContact O-N 2.7Å; V39-T42 PolarHBondContact O-OG1 3.19Å; V39-Y45 WeakPolarHBondContact O-CB 3.39Å
40	S	72.1	Confident	81.8	Confident	68 Å²	68	91.6 Å²	91.6	48%	0.476	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-43.1	-37.5	-178.4	46.2	0	0	0	0	115.1	T42	S40-T42 VanDerWaalsContact C-N 3.3Å; S40-T42 PolarHBondContact O-N 3.01Å
41	D	75.7	Confident	82	Confident	141 Å²	141	93.4 Å²	93.4	75%	0.754	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.1	-170.1	-50.8	1	0	0	0	111.8	V39	V39-D41 PolarHBondContact O-N 2.74Å
42	T	81.2	Confident	82	Confident	46 Å²	46	95.2 Å²	95.2	28%	0.282	50%	0.498	S	S	.	.	S	Bend	trans	-87.1	139.2	178.1	66.3	0	0	0	0	111.3	V39 S40 A44 Y45 I46	V39-T42 HydrophobicContact CB-CG2 4.22Å; V39-T42 WeakPolarHBondContact O-CB 3.37Å; V39-T42 PolarHBondContact O-N 2.7Å; V39-T42 PolarHBondContact O-OG1 3.19Å; S40-T42 VanDerWaalsContact C-N 3.3Å; S40-T42 PolarHBondContact O-N 3.01Å; T42-A44 PolarHBondContact O-N 3.28Å; T42-A44 VanDerWaalsContact O-N 3.13Å; T42-Y45 PolarHBondContact O-N 3.08Å; T42-Y45 WeakPolarHBondContact OG1-CB 3.46Å; T42-Y45 PolarHBondContact OG1-N 3.16Å; T42-I46 PolarHBondContact O-N 3.42Å
43	P	81.1	Confident	82	Confident	109 Å²	109	97.1 Å²	97.1	71%	0.708	51%	0.508	S	S	*	.	H	α-helix	trans	-56.3	-30.5	174.2	-27.1	35.4	0	0	0	113.5	I46 Y47	P43-I46 PolarHBondContact O-N 3.13Å; P43-Y47 WeakPolarHBondContact O-CB 3.45Å; P43-Y47 PolarHBondContact O-N 2.95Å
44	A	81.2	Confident	82	Confident	44 Å²	44	94.6 Å²	94.6	36%	0.364	49%	0.492	S	S	.	.	H	α-helix	trans	-63.4	-44.1	174.9	0	0	0	0	0	112.4	P38 T42 Y47 Y48	P38-A44 HydrophobicContact CB-CB 4.29Å; P38-A44 HydrophobicContact CG-CB 4.37Å; T42-A44 PolarHBondContact O-N 3.28Å; T42-A44 VanDerWaalsContact O-N 3.13Å; A44-Y47 PolarHBondContact O-N 3.42Å; A44-Y48 HydrophobicContact CB-CD2 4.42Å; A44-Y48 HydrophobicContact CB-CE2 4.18Å; A44-Y48 WeakPolarHBondContact O-CD2 3.49Å; A44-Y48 PolarHBondContact O-N 2.92Å
45	Y	82.7	Confident	82	Confident	82 Å²	82	96.3 Å²	96.3	32%	0.322	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-45.5	176.3	176.9	-89.9	0	0	0	111.5	P38 V39 T42 Y48 N49	P38-Y45 WeakPolarHBondContact O-CD2 3.38Å; V39-Y45 WeakPolarHBondContact O-CB 3.39Å; T42-Y45 PolarHBondContact O-N 3.08Å; T42-Y45 WeakPolarHBondContact OG1-CB 3.46Å; T42-Y45 PolarHBondContact OG1-N 3.16Å; Y45-Y48 PolarHBondContact O-N 3.47Å; Y45-N49 HydrophobicContact CD1-CB 4.44Å; Y45-N49 HydrophobicContact CE1-CB 4.1Å; Y45-N49 WeakPolarHBondContact O-CB 3.36Å; Y45-N49 PolarHBondContact O-N 3.22Å
46	I	81.3	Confident	82.2	Confident	96 Å²	96	92.7 Å²	92.7	49%	0.492	48%	0.484	S	S	.	.	H	α-helix	trans	-57.4	-54.7	178.7	-60.2	173	0	0	0	109.4	T42 P43 Y48 N49 D50	T42-I46 PolarHBondContact O-N 3.42Å; P43-I46 PolarHBondContact O-N 3.13Å; I46-Y48 PolarHBondContact O-N 2.76Å; I46-N49 PolarHBondContact O-N 2.86Å; I46-D50 PolarHBondContact O-N 2.71Å
47	Y	85.2	Confident	82.4	Confident	136 Å²	136	92.6 Å²	92.6	53%	0.533	49%	0.486	S	S	.	.	H	α-helix	trans	-56.5	-44.6	179.3	178.4	-99.7	0	0	0	113.4	P43 A44 F51	P43-Y47 WeakPolarHBondContact O-CB 3.45Å; P43-Y47 PolarHBondContact O-N 2.95Å; A44-Y47 PolarHBondContact O-N 3.42Å; Y47-F51 HydrophobicContact CD1-CE2 4.33Å; Y47-F51 AromaticContact CE1-CE2 3.94Å; Y47-F51 HydrophobicContact CE1-CE2 3.94Å; Y47-F51 HydrophobicContact CE1-CZ 4.5Å; Y47-F51 HydrophobicContact CE2-CE2 4.28Å; Y47-F51 AromaticContact CZ-CE2 3.91Å; Y47-F51 VanDerWaalsContact O-CD2 3.23Å; Y47-F51 WeakPolarHBondContact O-CD2 3.46Å; Y47-F51 VanDerWaalsContact O-CE2 3.31Å; Y47-F51 WeakPolarHBondContact O-CE2 3.49Å
48	Y	84.3	Confident	82.5	Confident	106 Å²	106	88.8 Å²	88.8	42%	0.416	48%	0.476	S	S	.	.	H	α-helix	trans	-74.9	-31.2	180	-65.6	-51.7	0	0	0	113.5	P38 A44 Y45 I46 D50 F51 Y54	P38-Y48 HydrophobicContact CG-CD2 4.42Å; A44-Y48 HydrophobicContact CB-CD2 4.42Å; A44-Y48 HydrophobicContact CB-CE2 4.18Å; A44-Y48 WeakPolarHBondContact O-CD2 3.49Å; A44-Y48 PolarHBondContact O-N 2.92Å; Y45-Y48 PolarHBondContact O-N 3.47Å; I46-Y48 PolarHBondContact O-N 2.76Å; Y48-D50 VanDerWaalsContact C-N 3.26Å; Y48-D50 PolarHBondContact O-N 3.16Å; Y48-F51 PolarHBondContact O-N 2.78Å; Y48-Y54 WeakPolarHBondContact O-CD1 3.46Å
49	N	82.5	Confident	82.8	Confident	41 Å²	41	89.5 Å²	89.5	22%	0.219	48%	0.484	C	S	.	.	H	α-helix	trans	-71.8	-16.8	-179.7	172.7	62.1	0	0	0	113.7	Y45 I46 F51 K55	Y45-N49 HydrophobicContact CD1-CB 4.44Å; Y45-N49 HydrophobicContact CE1-CB 4.1Å; Y45-N49 WeakPolarHBondContact O-CB 3.36Å; Y45-N49 PolarHBondContact O-N 3.22Å; I46-N49 PolarHBondContact O-N 2.86Å; N49-F51 VanDerWaalsContact C-N 3.26Å; N49-F51 PolarHBondContact O-N 2.95Å; N49-K55 WeakPolarHBondContact OD1-CE 3.24Å; N49-K55 PolarHBondContact OD1-NZ 3.31Å
50	D	84.9	Confident	83.1	Confident	120 Å²	120	87 Å²	87	64%	0.642	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-22.4	170.3	-70.4	-24	0	0	0	112.6	I46 Y48 P52	I46-D50 PolarHBondContact O-N 2.71Å; Y48-D50 VanDerWaalsContact C-N 3.26Å; Y48-D50 PolarHBondContact O-N 3.16Å; D50-P52 WeakPolarHBondContact O-CD 3.34Å
51	F	87.6	Confident	83.7	Confident	98 Å²	98	89 Å²	89	43%	0.43	48%	0.479	S	S	.	.	S	Bend	trans	-85	115.3	177.7	-65.3	-90.9	0	0	0	111.6	Y47 Y48 N49 Q53 Y54 K55	Y47-F51 HydrophobicContact CD1-CE2 4.33Å; Y47-F51 AromaticContact CE1-CE2 3.94Å; Y47-F51 HydrophobicContact CE1-CE2 3.94Å; Y47-F51 HydrophobicContact CE1-CZ 4.5Å; Y47-F51 HydrophobicContact CE2-CE2 4.28Å; Y47-F51 AromaticContact CZ-CE2 3.91Å; Y47-F51 VanDerWaalsContact O-CD2 3.23Å; Y47-F51 WeakPolarHBondContact O-CD2 3.46Å; Y47-F51 VanDerWaalsContact O-CE2 3.31Å; Y47-F51 WeakPolarHBondContact O-CE2 3.49Å; Y48-F51 PolarHBondContact O-N 2.78Å; N49-F51 VanDerWaalsContact C-N 3.26Å; N49-F51 PolarHBondContact O-N 2.95Å; F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 2.84Å; F51-Y54 PolarHBondContact O-N 3.48Å; F51-K55 PolarHBondContact O-N 3.03Å; F51-K55 VanDerWaalsContact O-N 3.17Å
52	P	85.6	Confident	84.1	Confident	106 Å²	106	84.7 Å²	84.7	69%	0.688	46%	0.46	S	S	*	.	H	α-helix	trans	-61.6	-31.5	-175.1	-25.4	35.7	0	0	0	114.2	D50 K55 A56	D50-P52 WeakPolarHBondContact O-CD 3.34Å; P52-K55 PolarHBondContact O-N 3.2Å; P52-A56 WeakPolarHBondContact O-CB 3.42Å; P52-A56 PolarHBondContact O-N 3.4Å
53	Q	85.9	Confident	84.2	Confident	161 Å²	161	89.8 Å²	89.8	75%	0.752	48%	0.478	S	S	*	.	H	α-helix	trans	-66.1	-47.5	178.4	-65.6	173.9	-8.6	0	0	111.8	F51 K55 A56 I57	F51-Q53 VanDerWaalsContact C-N 3.26Å; F51-Q53 PolarHBondContact O-N 2.84Å; Q53-K55 VanDerWaalsContact C-N 3.32Å; Q53-K55 PolarHBondContact O-N 3.22Å; Q53-A56 PolarHBondContact O-N 3.47Å; Q53-I57 WeakPolarHBondContact O-CG1 3.48Å; Q53-I57 PolarHBondContact O-N 2.64Å
54	Y	86.9	Confident	84.4	Confident	59 Å²	59	90.9 Å²	90.9	23%	0.231	47%	0.472	C	S	.	.	H	α-helix	trans	-59	-46.1	175.2	175.1	-97.4	0	0	0	110.8	F37 Y48 F51 A56 I57 A58	F37-Y54 VanDerWaalsContact CE1-OH 3.31Å; F37-Y54 WeakPolarHBondContact CE1-OH 3.37Å; Y48-Y54 WeakPolarHBondContact O-CD1 3.46Å; F51-Y54 PolarHBondContact O-N 3.48Å; Y54-A56 VanDerWaalsContact C-N 3.34Å; Y54-A56 PolarHBondContact O-N 2.94Å; Y54-I57 PolarHBondContact O-N 2.98Å; Y54-A58 WeakPolarHBondContact O-CB 3.5Å; Y54-A58 PolarHBondContact O-N 3.21Å
55	K	83.9	Confident	84.6	Confident	112 Å²	112	94.1 Å²	94.1	49%	0.487	48%	0.482	S	S	.	.	H	α-helix	trans	-59.6	-40.6	177.8	-165.3	170.9	-167.1	154.2	0	113	N49 F51 P52 Q53 A59	N49-K55 WeakPolarHBondContact OD1-CE 3.24Å; N49-K55 PolarHBondContact OD1-NZ 3.31Å; F51-K55 PolarHBondContact O-N 3.03Å; F51-K55 VanDerWaalsContact O-N 3.17Å; P52-K55 PolarHBondContact O-N 3.2Å; Q53-K55 VanDerWaalsContact C-N 3.32Å; Q53-K55 PolarHBondContact O-N 3.22Å; K55-A59 VanDerWaalsContact O-CB 3.28Å; K55-A59 WeakPolarHBondContact O-CB 3.4Å; K55-A59 PolarHBondContact O-N 3.42Å
56	A	85.1	Confident	84.6	Confident	67 Å²	67	91.3 Å²	91.3	55%	0.554	47%	0.472	S	S	*	.	H	α-helix	trans	-66	-44.5	175.5	0	0	0	0	0	112.4	P52 Q53 Y54 A59 G60	P52-A56 WeakPolarHBondContact O-CB 3.42Å; P52-A56 PolarHBondContact O-N 3.4Å; Q53-A56 PolarHBondContact O-N 3.47Å; Y54-A56 VanDerWaalsContact C-N 3.34Å; Y54-A56 PolarHBondContact O-N 2.94Å; A56-A59 PolarHBondContact O-N 2.95Å; A56-G60 PolarHBondContact O-N 3.28Å
57	I	87	Confident	84.7	Confident	113 Å²	113	88.6 Å²	88.6	58%	0.579	46%	0.462	S	S	*	.	H	α-helix	trans	-64.4	-47	177.9	-66.6	166.3	0	0	0	110.7	Q53 Y54 A59 G60 Q61	Q53-I57 WeakPolarHBondContact O-CG1 3.48Å; Q53-I57 PolarHBondContact O-N 2.64Å; Y54-I57 PolarHBondContact O-N 2.98Å; I57-A59 PolarHBondContact O-N 3.31Å; I57-G60 PolarHBondContact O-N 2.79Å; I57-G60 VanDerWaalsContact O-N 3.14Å; I57-Q61 PolarHBondContact O-N 3.18Å
58	A	84.5	Confident	84.7	Confident	36 Å²	36	86.6 Å²	86.6	30%	0.298	46%	0.459	S	S	.	.	H	α-helix	trans	-60.5	-43.5	177.5	0	0	0	0	0	111.9	Y54 G60 Q61 S62	Y54-A58 WeakPolarHBondContact O-CB 3.5Å; Y54-A58 PolarHBondContact O-N 3.21Å; A58-G60 VanDerWaalsContact C-N 3.33Å; A58-G60 PolarHBondContact O-N 3.48Å; A58-Q61 PolarHBondContact O-N 3.34Å; A58-S62 VanDerWaalsContact O-CB 3.28Å; A58-S62 WeakPolarHBondContact O-CB 3.41Å; A58-S62 PolarHBondContact O-N 3.26Å
59	A	82.5	Confident	84.6	Confident	50 Å²	50	84.2 Å²	84.2	41%	0.413	45%	0.453	S	S	.	.	H	α-helix	trans	-63.8	-36.3	174.3	0	0	0	0	0	112.7	K55 A56 I57 K63	K55-A59 VanDerWaalsContact O-CB 3.28Å; K55-A59 WeakPolarHBondContact O-CB 3.4Å; K55-A59 PolarHBondContact O-N 3.42Å; A56-A59 PolarHBondContact O-N 2.95Å; I57-A59 PolarHBondContact O-N 3.31Å; A59-K63 WeakPolarHBondContact O-CG 3.44Å; A59-K63 PolarHBondContact O-N 3.44Å
60	G	84.3	Confident	84.5	Confident	37 Å²	37	82.7 Å²	82.7	38%	0.381	45%	0.445	S	S	.	.	H	α-helix	trans	-63	-49.5	174.2	0	0	0	0	0	112.9	A56 I57 A58 K63 K64	A56-G60 PolarHBondContact O-N 3.28Å; I57-G60 PolarHBondContact O-N 2.79Å; I57-G60 VanDerWaalsContact O-N 3.14Å; A58-G60 VanDerWaalsContact C-N 3.33Å; A58-G60 PolarHBondContact O-N 3.48Å; G60-K63 PolarHBondContact O-N 3Å; G60-K64 PolarHBondContact O-N 3.39Å; G60-K64 VanDerWaalsContact O-N 3.14Å
61	Q	85.5	Confident	84.3	Confident	108 Å²	108	78 Å²	78	51%	0.505	42%	0.42	S	S	.	.	H	α-helix	trans	-67.2	-37.4	177.4	-60	-60.1	-11.5	0	0	112	I57 A58 K63 K64 I65	I57-Q61 PolarHBondContact O-N 3.18Å; A58-Q61 PolarHBondContact O-N 3.34Å; Q61-K63 PolarHBondContact O-N 2.85Å; Q61-K64 WeakPolarHBondContact O-CB 3.16Å; Q61-K64 PolarHBondContact O-N 3.34Å; Q61-K64 VanDerWaalsContact O-N 3.15Å; Q61-I65 WeakPolarHBondContact O-CG1 3.2Å; Q61-I65 PolarHBondContact O-N 3.15Å
62	S	83.4	Confident	83.9	Confident	51 Å²	51	76.4 Å²	76.4	36%	0.357	42%	0.418	S	S	.	.	H	α-helix	trans	-58.1	-46.3	173.6	-178.9	0	0	0	0	112	A58 K64 I65 L66	A58-S62 VanDerWaalsContact O-CB 3.28Å; A58-S62 WeakPolarHBondContact O-CB 3.41Å; A58-S62 PolarHBondContact O-N 3.26Å; S62-K64 VanDerWaalsContact C-N 3.33Å; S62-K64 PolarHBondContact O-N 2.95Å; S62-I65 PolarHBondContact O-N 2.89Å; S62-L66 WeakPolarHBondContact O-CG 3.44Å; S62-L66 PolarHBondContact O-N 2.93Å
63	K	83.3	Confident	83.5	Confident	153 Å²	153	71.6 Å²	71.6	67%	0.665	39%	0.386	S	S	*	.	H	α-helix	trans	-58.7	-41.8	173.5	-74.6	175.1	179.4	-177.1	0	112.3	A59 G60 Q61 L66 S67	A59-K63 WeakPolarHBondContact O-CG 3.44Å; A59-K63 PolarHBondContact O-N 3.44Å; G60-K63 PolarHBondContact O-N 3Å; Q61-K63 PolarHBondContact O-N 2.85Å; K63-L66 PolarHBondContact O-N 2.83Å; K63-S67 PolarHBondContact O-N 3.4Å
64	K	85	Confident	82.9	Confident	132 Å²	132	67.4 Å²	67.4	57%	0.574	37%	0.369	S	S	*	.	H	α-helix	trans	-62.6	-43.4	177.9	-171.4	178.5	-179.9	-179.3	0	112.2	G60 Q61 S62 S67 I68	G60-K64 PolarHBondContact O-N 3.39Å; G60-K64 VanDerWaalsContact O-N 3.14Å; Q61-K64 WeakPolarHBondContact O-CB 3.16Å; Q61-K64 PolarHBondContact O-N 3.34Å; Q61-K64 VanDerWaalsContact O-N 3.15Å; S62-K64 VanDerWaalsContact C-N 3.33Å; S62-K64 PolarHBondContact O-N 2.95Å; K64-S67 PolarHBondContact O-N 3.37Å; K64-I68 HydrophobicContact CG-CD1 4.37Å; K64-I68 WeakPolarHBondContact O-CG1 3.42Å; K64-I68 PolarHBondContact O-N 3.19Å; K64-I68 VanDerWaalsContact O-N 3.07Å
65	I	85.6	Confident	82.4	Confident	113 Å²	113	71 Å²	71	58%	0.579	39%	0.391	S	S	*	.	H	α-helix	trans	-64.9	-44.1	176.8	-66.5	166.9	0	0	0	110.9	Q61 S62 S67 I68 L69	Q61-I65 WeakPolarHBondContact O-CG1 3.2Å; Q61-I65 PolarHBondContact O-N 3.15Å; S62-I65 PolarHBondContact O-N 2.89Å; I65-S67 VanDerWaalsContact C-N 3.28Å; I65-S67 PolarHBondContact O-N 3.13Å; I65-I68 PolarHBondContact O-N 3.42Å; I65-L69 WeakPolarHBondContact O-CB 2.8Å; I65-L69 PolarHBondContact O-N 2.85Å
66	L	83.5	Confident	81.6	Confident	22 Å²	22	69.6 Å²	69.6	12%	0.115	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-31.8	177.1	-66.7	170.4	0	0	0	112.6	S62 K63 Q70 I82 L83	S62-L66 WeakPolarHBondContact O-CG 3.44Å; S62-L66 PolarHBondContact O-N 2.93Å; K63-L66 PolarHBondContact O-N 2.83Å; L66-Q70 PolarHBondContact O-N 3.43Å; L66-I82 HydrophobicContact CB-CG2 4.38Å; L66-I82 HydrophobicContact CD2-CG2 3.8Å; L66-L83 HydrophobicContact CB-CD2 3.88Å; L66-L83 HydrophobicContact CB-CG 4.48Å
67	S	83	Confident	80.5	Confident	39 Å²	39	70.2 Å²	70.2	27%	0.273	38%	0.383	S	S	.	.	H	α-helix	trans	-68.4	-47.5	172.8	170.8	0	0	0	0	112	K63 K64 I65 L69 Q70 N71	K63-S67 PolarHBondContact O-N 3.4Å; K64-S67 PolarHBondContact O-N 3.37Å; I65-S67 VanDerWaalsContact C-N 3.28Å; I65-S67 PolarHBondContact O-N 3.13Å; S67-L69 PolarHBondContact O-N 3.42Å; S67-Q70 PolarHBondContact O-N 3.22Å; S67-N71 PolarHBondContact O-N 3.44Å; S67-N71 VanDerWaalsContact O-N 3.11Å; S67-N71 PolarHBondContact O-ND2 3.21Å; S67-N71 VanDerWaalsContact O-ND2 3.17Å; S67-N71 PolarHBondContact O-OD1 3.28Å; S67-N71 VanDerWaalsContact O-OD1 3.13Å
68	I	84.5	Confident	79.2	Confident	94 Å²	94	64.9 Å²	64.9	48%	0.482	36%	0.355	S	S	.	.	H	α-helix	trans	-57.1	-41.9	175	-66.1	164	0	0	0	110.5	K64 I65 N71 V72	K64-I68 HydrophobicContact CG-CD1 4.37Å; K64-I68 WeakPolarHBondContact O-CG1 3.42Å; K64-I68 PolarHBondContact O-N 3.19Å; K64-I68 VanDerWaalsContact O-N 3.07Å; I65-I68 PolarHBondContact O-N 3.42Å; I68-N71 PolarHBondContact O-N 2.88Å; I68-V72 WeakPolarHBondContact O-CG2 3.45Å; I68-V72 PolarHBondContact O-N 3.38Å
69	L	82.8	Confident	78	Confident	56 Å²	56	66.7 Å²	66.7	29%	0.293	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-38.2	178.8	-172.5	58.3	0	0	0	112.9	I65 S67 V72 L73 I82 I98	I65-L69 WeakPolarHBondContact O-CB 2.8Å; I65-L69 PolarHBondContact O-N 2.85Å; S67-L69 PolarHBondContact O-N 3.42Å; L69-V72 PolarHBondContact O-N 3.03Å; L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 2.84Å; L69-L73 VanDerWaalsContact O-N 3.09Å; L69-I82 HydrophobicContact CB-CD1 4.3Å; L69-I82 HydrophobicContact CD2-CD1 3.81Å; L69-I82 HydrophobicContact CG-CD1 3.69Å; L69-I98 HydrophobicContact CD2-CD1 3.55Å; L69-I98 HydrophobicContact CD2-CG1 4.06Å
70	Q	79.8	Confident	77.1	Confident	10 Å²	10	65.2 Å²	65.2	5%	0.047	34%	0.344	C	S	.	.	H	α-helix	trans	-58.5	-50.8	173.8	-175.2	56.6	48.6	0	0	111	L66 S67 V72 L73 D74 A80 N81 L83	L66-Q70 PolarHBondContact O-N 3.43Å; S67-Q70 PolarHBondContact O-N 3.22Å; Q70-V72 PolarHBondContact O-N 3.03Å; Q70-L73 PolarHBondContact O-N 3.04Å; Q70-D74 WeakPolarHBondContact CG-OD2 3.4Å; Q70-D74 VanDerWaalsContact NE2-CG 3.31Å; Q70-D74 PolarHBondContact NE2-OD1 2.73Å; Q70-D74 PolarHBondContact NE2-OD2 2.87Å; Q70-D74 PolarHBondContact O-N 3.21Å; Q70-A80 PolarHBondContact NE2-O 3.49Å; Q70-A80 VanDerWaalsContact NE2-O 3.16Å; Q70-N81 PolarHBondContact OE1-OD1 2.9Å; Q70-L83 HydrophobicContact CB-CD1 4.37Å; Q70-L83 HydrophobicContact CB-CG 4.42Å
71	N	80.1	Confident	76.2	Confident	20 Å²	20	66.3 Å²	66.3	11%	0.107	34%	0.341	C	S	.	.	H	α-helix	trans	-56.8	-39.4	179.6	-49.7	-25.7	0	0	0	111.9	S67 I68 D74 I75 N659 L662	S67-N71 PolarHBondContact O-N 3.44Å; S67-N71 VanDerWaalsContact O-N 3.11Å; S67-N71 PolarHBondContact O-ND2 3.21Å; S67-N71 VanDerWaalsContact O-ND2 3.17Å; S67-N71 PolarHBondContact O-OD1 3.28Å; S67-N71 VanDerWaalsContact O-OD1 3.13Å; I68-N71 PolarHBondContact O-N 2.88Å; N71-D74 PolarHBondContact O-N 3.42Å; N71-I75 WeakPolarHBondContact O-CB 3.29Å; N71-I75 WeakPolarHBondContact O-CD1 3.48Å; N71-I75 WeakPolarHBondContact O-CG1 3.26Å; N71-I75 PolarHBondContact O-N 3.44Å; N71-N659 PolarHBondContact OD1-OD1 3.29Å; N71-L662 WeakPolarHBondContact ND2-CD2 3.38Å
72	V	80.4	Confident	75.3	Confident	66 Å²	66	61.2 Å²	61.2	40%	0.4	32%	0.317	S	S	.	.	H	α-helix	trans	-66.7	-40.5	177.8	170	0	0	0	0	111.4	I68 L69 Q70 L76	I68-V72 WeakPolarHBondContact O-CG2 3.45Å; I68-V72 PolarHBondContact O-N 3.38Å; L69-V72 PolarHBondContact O-N 3.03Å; Q70-V72 PolarHBondContact O-N 3.03Å; V72-L76 HydrophobicContact CG1-CD1 3.77Å; V72-L76 HydrophobicContact CG1-CG 4.49Å; V72-L76 WeakPolarHBondContact O-CB 3.3Å; V72-L76 VanDerWaalsContact O-CG 3.23Å; V72-L76 WeakPolarHBondContact O-CG 3.43Å; V72-L76 PolarHBondContact O-N 3.04Å; V72-L76 VanDerWaalsContact O-N 3.07Å
73	L	77.3	Confident	74.4	Confident	4 Å²	4	61.9 Å²	61.9	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-68.8	-36.9	175.7	-64.7	-172	0	0	0	112.5	L69 Q70 L76 D77 A78 A80 I82 A101	L69-L73 WeakPolarHBondContact O-CG 3.28Å; L69-L73 PolarHBondContact O-N 2.84Å; L69-L73 VanDerWaalsContact O-N 3.09Å; Q70-L73 PolarHBondContact O-N 3.04Å; L73-L76 PolarHBondContact O-N 3.19Å; L73-D77 PolarHBondContact O-N 2.79Å; L73-A78 HydrophobicContact CB-CB 4.29Å; L73-A78 HydrophobicContact CD2-CB 3.92Å; L73-A78 WeakPolarHBondContact O-CB 3.48Å; L73-A78 PolarHBondContact O-N 3.12Å; L73-A80 HydrophobicContact CD1-CB 4.28Å; L73-I82 HydrophobicContact CD1-CD1 3.61Å; L73-I82 HydrophobicContact CD1-CG1 4.23Å; L73-A101 HydrophobicContact CD1-CB 4.1Å; L73-A101 HydrophobicContact CD2-CB 3.9Å
74	D	73.5	Confident	73.1	Confident	73 Å²	73	55.5 Å²	55.5	39%	0.39	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-44.2	175.6	-66.7	-30.2	0	0	0	111.1	Q70 N71 L76 D77 N659	Q70-D74 WeakPolarHBondContact CG-OD2 3.4Å; Q70-D74 VanDerWaalsContact NE2-CG 3.31Å; Q70-D74 PolarHBondContact NE2-OD1 2.73Å; Q70-D74 PolarHBondContact NE2-OD2 2.87Å; Q70-D74 PolarHBondContact O-N 3.21Å; N71-D74 PolarHBondContact O-N 3.42Å; D74-L76 PolarHBondContact O-N 3.44Å; D74-D77 PolarHBondContact O-N 3.27Å; D74-N659 PolarHBondContact OD2-ND2 2.88Å
75	I	76	Confident	71.6	Confident	134 Å²	134	55.5 Å²	55.5	69%	0.687	30%	0.301	S	S	*	.	H	α-helix	trans	-63.8	-37	176.2	-71.7	164.9	0	0	0	112.4	N71 D77	N71-I75 WeakPolarHBondContact O-CB 3.29Å; N71-I75 WeakPolarHBondContact O-CD1 3.48Å; N71-I75 WeakPolarHBondContact O-CG1 3.26Å; N71-I75 PolarHBondContact O-N 3.44Å; I75-D77 PolarHBondContact O-N 3.01Å
76	L	67.5	Low	69.7	Low	84 Å²	84	55.3 Å²	55.3	44%	0.44	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	3.7	-177.9	-69.4	172.1	0	0	0	114	V72 L73 D74 A78 I105 K108	V72-L76 HydrophobicContact CG1-CD1 3.77Å; V72-L76 HydrophobicContact CG1-CG 4.49Å; V72-L76 WeakPolarHBondContact O-CB 3.3Å; V72-L76 VanDerWaalsContact O-CG 3.23Å; V72-L76 WeakPolarHBondContact O-CG 3.43Å; V72-L76 PolarHBondContact O-N 3.04Å; V72-L76 VanDerWaalsContact O-N 3.07Å; L73-L76 PolarHBondContact O-N 3.19Å; D74-L76 PolarHBondContact O-N 3.44Å; L76-A78 HydrophobicContact CB-CB 3.98Å; L76-A78 PolarHBondContact O-N 3.38Å; L76-I105 HydrophobicContact CB-CD1 4.38Å; L76-I105 HydrophobicContact CD1-CD1 3.91Å; L76-K108 PolarHBondContact O-NZ 3.08Å
77	D	62.2	Low	68.3	Low	80 Å²	80	57.4 Å²	57.4	43%	0.428	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	36	-169.2	-177.2	68.8	0	0	0	110.9	L73 D74 I75 K79 K108	L73-D77 PolarHBondContact O-N 2.79Å; D74-D77 PolarHBondContact O-N 3.27Å; I75-D77 PolarHBondContact O-N 3.01Å; D77-K79 PolarHBondContact O-N 2.82Å; D77-K79 VanDerWaalsContact O-N 3.16Å; D77-K79 WeakPolarHBondContact OD1-CE 3.39Å; D77-K79 IonicContact OD1-NZ 2.79Å; D77-K79 PolarHBondContact OD1-NZ 3.24Å; D77-K79 WeakPolarHBondContact OD2-CE 3.49Å; D77-K79 IonicContact OD2-NZ 3.7Å; D77-K108 PolarHBondContact O-NZ 2.9Å; D77-K108 IonicContact OD2-NZ 2.66Å; D77-K108 PolarHBondContact OD2-NZ 2.9Å
78	A	59.2	Low	67.2	Low	1 Å²	1	61.7 Å²	61.7	1%	0.008	35%	0.345	C	S	.	.			trans	-94.5	53	-173.2	0	0	0	0	0	110.3	L73 L76 A80 A101 I105	L73-A78 HydrophobicContact CB-CB 4.29Å; L73-A78 HydrophobicContact CD2-CB 3.92Å; L73-A78 WeakPolarHBondContact O-CB 3.48Å; L73-A78 PolarHBondContact O-N 3.12Å; L76-A78 HydrophobicContact CB-CB 3.98Å; L76-A78 PolarHBondContact O-N 3.38Å; A78-A80 WeakPolarHBondContact O-CB 3.33Å; A78-A80 PolarHBondContact O-N 2.8Å; A78-A101 HydrophobicContact CB-CB 4.08Å; A78-A101 WeakPolarHBondContact O-CB 3.28Å; A78-I105 HydrophobicContact CB-CD1 3.75Å; A78-I105 HydrophobicContact CB-CG1 4Å
79	K	59.7	Low	66.2	Low	73 Å²	73	59.5 Å²	59.5	32%	0.317	33%	0.332	S	S	.	.			trans	-36.3	79.6	-162.7	-56	-177.2	-178	-169.5	0	116	D77 R104 E489	D77-K79 PolarHBondContact O-N 2.82Å; D77-K79 VanDerWaalsContact O-N 3.16Å; D77-K79 WeakPolarHBondContact OD1-CE 3.39Å; D77-K79 IonicContact OD1-NZ 2.79Å; D77-K79 PolarHBondContact OD1-NZ 3.24Å; D77-K79 WeakPolarHBondContact OD2-CE 3.49Å; D77-K79 IonicContact OD2-NZ 3.7Å; K79-R104 PolarHBondContact O-NH1 2.81Å; K79-E489 IonicContact NZ-OE1 3.18Å; K79-E489 PolarHBondContact NZ-OE1 2.67Å; K79-E489 IonicContact NZ-OE2 3.77Å
80	A	62.8	Low	65.6	Low	19 Å²	19	59.5 Å²	59.5	16%	0.157	34%	0.336	C	S	.	.			trans	-151.5	139.5	178.8	0	0	0	0	0	110.4	Q70 L73 A78 S97 A101	Q70-A80 PolarHBondContact NE2-O 3.49Å; Q70-A80 VanDerWaalsContact NE2-O 3.16Å; L73-A80 HydrophobicContact CD1-CB 4.28Å; A78-A80 WeakPolarHBondContact O-CB 3.33Å; A78-A80 PolarHBondContact O-N 2.8Å; A80-S97 WeakPolarHBondContact CB-O 3.48Å; A80-A101 HydrophobicContact CB-CB 4.03Å
81	N	64.9	Low	65.3	Low	60 Å²	60	64.6 Å²	64.6	32%	0.321	36%	0.362	S	S	.	.			trans	-112.5	123.3	178.8	-167.5	1.4	0	0	0	111.1	Q70 L83 K89	Q70-N81 PolarHBondContact OE1-OD1 2.9Å; N81-L83 PolarHBondContact OD1-N 3.19Å; N81-K89 PolarHBondContact O-NZ 3.11Å
82	I	66.8	Low	65.2	Low	1 Å²	1	71.1 Å²	71.1	1%	0.005	39%	0.391	C	S	.	.	S	Bend	trans	-97.5	-32.6	177.9	-61.5	165.4	0	0	0	110.3	L66 L69 L73 K94 I98	L66-I82 HydrophobicContact CB-CG2 4.38Å; L66-I82 HydrophobicContact CD2-CG2 3.8Å; L69-I82 HydrophobicContact CB-CD1 4.3Å; L69-I82 HydrophobicContact CD2-CD1 3.81Å; L69-I82 HydrophobicContact CG-CD1 3.69Å; L73-I82 HydrophobicContact CD1-CD1 3.61Å; L73-I82 HydrophobicContact CD1-CG1 4.23Å; I82-K94 HydrophobicContact CG2-CB 4.32Å; I82-K94 HydrophobicContact CG2-CD 4.01Å; I82-K94 HydrophobicContact CG2-CG 3.94Å; I82-K94 WeakPolarHBondContact O-CE 3.38Å; I82-I98 HydrophobicContact CD1-CD1 4.05Å; I82-I98 HydrophobicContact CD1-CG1 3.74Å; I82-I98 HydrophobicContact CG1-CG1 4.21Å
83	L	63.5	Low	64.8	Low	65 Å²	65	73 Å²	73	34%	0.34	40%	0.396	S	S	.	.			trans	-107.6	55.9	-173	-69.7	-169.5	0	0	0	112.6	L66 Q70 N81 V85	L66-L83 HydrophobicContact CB-CD2 3.88Å; L66-L83 HydrophobicContact CB-CG 4.48Å; Q70-L83 HydrophobicContact CB-CD1 4.37Å; Q70-L83 HydrophobicContact CB-CG 4.42Å; N81-L83 PolarHBondContact OD1-N 3.19Å; L83-V85 PolarHBondContact O-N 2.79Å
84	D	56.5	Low	64.9	Low	20 Å²	20	73.9 Å²	73.9	11%	0.107	40%	0.399	C	S	.	.			trans	-72.3	54.4	-177	-113.9	-60.8	0	0	0	115.3	V87 K89 K536	D84-V87 CarbonylContact O-C 3.51Å; D84-V87 PolarHBondContact O-N 3.32Å; D84-K89 HydrophobicContact CB-CD 4.22Å; D84-K89 HydrophobicContact CB-CG 4.47Å; D84-K89 VanDerWaalsContact OD2-CE 3.31Å; D84-K89 WeakPolarHBondContact OD2-CE 3.3Å; D84-K89 IonicContact OD2-NZ 3.96Å; D84-K89 PolarHBondContact OD2-NZ 2.92Å; D84-K536 PolarHBondContact O-NZ 3Å; D84-K536 IonicContact OD1-NZ 2.88Å; D84-K536 PolarHBondContact OD1-NZ 3.29Å
85	V	53.1	Low	65.3	Low	132 Å²	132	76.6 Å²	76.6	80%	0.8	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	126.3	169	-176.7	0	0	0	0	108.4	L83	L83-V85 PolarHBondContact O-N 2.79Å
86	P	47.5	Very low	65.5	Low	108 Å²	108	73.8 Å²	73.8	70%	0.701	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	cis	-96.6	2.9	18.5	37.3	-35.8	0	0	0	116.8
87	V	53.5	Low	65.9	Low	67 Å²	67	70.7 Å²	70.7	41%	0.406	38%	0.383	S	S	.	.	S	Bend	trans	-114.4	111.3	-172.5	-175.2	0	0	0	0	111.1	D84 K89	D84-V87 CarbonylContact O-C 3.51Å; D84-V87 PolarHBondContact O-N 3.32Å; V87-K89 PolarHBondContact O-N 2.93Å
88	T	58.6	Low	66.9	Low	128 Å²	128	68.4 Å²	68.4	79%	0.785	37%	0.37	S	S	*	.			trans	-69.1	96.1	177.4	52.1	0	0	0	0	111.6
89	K	63.5	Low	68.1	Low	49 Å²	49	71.6 Å²	71.6	21%	0.213	39%	0.386	C	S	.	.			trans	-43.8	138.9	165.6	-79.3	172.1	164.5	161.5	0	111	N81 D84 V87 E93 K94	N81-K89 PolarHBondContact O-NZ 3.11Å; D84-K89 HydrophobicContact CB-CD 4.22Å; D84-K89 HydrophobicContact CB-CG 4.47Å; D84-K89 VanDerWaalsContact OD2-CE 3.31Å; D84-K89 WeakPolarHBondContact OD2-CE 3.3Å; D84-K89 IonicContact OD2-NZ 3.96Å; D84-K89 PolarHBondContact OD2-NZ 2.92Å; V87-K89 PolarHBondContact O-N 2.93Å; K89-E93 HydrophobicContact CB-CB 4.33Å; K89-K94 HydrophobicContact CB-CD 4.48Å; K89-K94 HydrophobicContact CB-CG 3.84Å; K89-K94 VanDerWaalsContact O-CE 3.23Å; K89-K94 WeakPolarHBondContact O-CE 3.32Å; K89-K94 PolarHBondContact O-NZ 3.39Å
90	S	72.2	Confident	68.9	Low	55 Å²	55	71.6 Å²	71.6	39%	0.385	39%	0.39	S	S	.	.			trans	-61	160.5	174.6	69.5	0	0	0	0	111.1	H92 E93 K94	S90-H92 PolarHBondContact O-N 3.03Å; S90-E93 WeakPolarHBondContact CB-OE2 3.42Å; S90-E93 PolarHBondContact N-OE2 2.84Å; S90-E93 PolarHBondContact O-N 2.89Å; S90-E93 VanDerWaalsContact OG-CD 3.28Å; S90-E93 VanDerWaalsContact OG-CG 3.29Å; S90-E93 WeakPolarHBondContact OG-CG 3.4Å; S90-E93 PolarHBondContact OG-N 3.3Å; S90-E93 PolarHBondContact OG-OE2 2.86Å; S90-K94 WeakPolarHBondContact O-CG 3.18Å; S90-K94 PolarHBondContact O-N 3.18Å
91	M	73.2	Confident	69.6	Low	117 Å²	117	70.7 Å²	70.7	58%	0.576	38%	0.382	S	S	*	.	H	α-helix	trans	-64.4	-28	179.6	-66.2	-55.8	-64.7	0	0	112.5	K94 F95	M91-K94 HydrophobicContact SD-CD 4.12Å; M91-F95 WeakPolarHBondContact O-CB 3.38Å; M91-F95 PolarHBondContact O-N 3.21Å; M91-F95 VanDerWaalsContact O-N 3.14Å
92	H	76.5	Confident	70.5	Confident	158 Å²	158	71.5 Å²	71.5	73%	0.731	39%	0.386	S	S	*	.	H	α-helix	trans	-71.7	-48.2	173.3	-72	4	0	0	0	112.1	S90 K94 F95 T96	S90-H92 PolarHBondContact O-N 3.03Å; H92-K94 VanDerWaalsContact C-N 3.27Å; H92-K94 PolarHBondContact O-N 3.44Å; H92-F95 WeakPolarHBondContact O-CA 3.4Å; H92-F95 WeakPolarHBondContact O-CB 3.49Å; H92-F95 PolarHBondContact O-N 2.77Å; H92-T96 PolarHBondContact O-N 2.83Å; H92-T96 PolarHBondContact O-OG1 2.83Å
93	E	73.9	Confident	71.3	Confident	105 Å²	105	75.9 Å²	75.9	49%	0.491	41%	0.41	S	S	.	.	H	α-helix	trans	-60.9	-37.1	178.1	-68.7	160.6	125	0	0	112.4	K89 S90 S97	K89-E93 HydrophobicContact CB-CB 4.33Å; S90-E93 WeakPolarHBondContact CB-OE2 3.42Å; S90-E93 PolarHBondContact N-OE2 2.84Å; S90-E93 PolarHBondContact O-N 2.89Å; S90-E93 VanDerWaalsContact OG-CD 3.28Å; S90-E93 VanDerWaalsContact OG-CG 3.29Å; S90-E93 WeakPolarHBondContact OG-CG 3.4Å; S90-E93 PolarHBondContact OG-N 3.3Å; S90-E93 PolarHBondContact OG-OE2 2.86Å; E93-S97 WeakPolarHBondContact O-CB 3.38Å; E93-S97 PolarHBondContact O-N 3.41Å; E93-S97 PolarHBondContact O-OG 2.85Å
94	K	77.9	Confident	71.9	Confident	22 Å²	22	77.3 Å²	77.3	10%	0.096	41%	0.411	C	S	.	.	H	α-helix	trans	-62.2	-44.8	171.7	-73.1	171.9	172.4	141.7	0	111.6	I82 K89 S90 M91 H92 S97 I98	I82-K94 HydrophobicContact CG2-CB 4.32Å; I82-K94 HydrophobicContact CG2-CD 4.01Å; I82-K94 HydrophobicContact CG2-CG 3.94Å; I82-K94 WeakPolarHBondContact O-CE 3.38Å; K89-K94 HydrophobicContact CB-CD 4.48Å; K89-K94 HydrophobicContact CB-CG 3.84Å; K89-K94 VanDerWaalsContact O-CE 3.23Å; K89-K94 WeakPolarHBondContact O-CE 3.32Å; K89-K94 PolarHBondContact O-NZ 3.39Å; S90-K94 WeakPolarHBondContact O-CG 3.18Å; S90-K94 PolarHBondContact O-N 3.18Å; M91-K94 HydrophobicContact SD-CD 4.12Å; H92-K94 VanDerWaalsContact C-N 3.27Å; H92-K94 PolarHBondContact O-N 3.44Å; K94-S97 WeakPolarHBondContact O-CB 3.48Å; K94-S97 PolarHBondContact O-N 3.1Å; K94-I98 WeakPolarHBondContact O-CD1 3.26Å; K94-I98 VanDerWaalsContact O-CG1 3.29Å; K94-I98 WeakPolarHBondContact O-CG1 3.37Å; K94-I98 PolarHBondContact O-N 3.23Å
95	F	81.5	Confident	72.9	Confident	131 Å²	131	78.7 Å²	78.7	58%	0.575	42%	0.418	S	S	*	.	H	α-helix	trans	-64.9	-43.3	178.7	-170.4	-113.1	0	0	0	112.1	M91 H92 S97 I98 I99	M91-F95 WeakPolarHBondContact O-CB 3.38Å; M91-F95 PolarHBondContact O-N 3.21Å; M91-F95 VanDerWaalsContact O-N 3.14Å; H92-F95 WeakPolarHBondContact O-CA 3.4Å; H92-F95 WeakPolarHBondContact O-CB 3.49Å; H92-F95 PolarHBondContact O-N 2.77Å; F95-S97 VanDerWaalsContact C-N 3.33Å; F95-S97 PolarHBondContact O-N 3.41Å; F95-I98 PolarHBondContact O-N 2.89Å; F95-I98 VanDerWaalsContact O-N 3.15Å; F95-I99 HydrophobicContact CD1-CD1 3.83Å; F95-I99 HydrophobicContact CE1-CD1 3.65Å; F95-I99 HydrophobicContact CE1-CG1 4.46Å; F95-I99 HydrophobicContact CZ-CD1 4.26Å; F95-I99 WeakPolarHBondContact O-CG1 3.45Å; F95-I99 PolarHBondContact O-N 3.17Å
96	T	80.9	Confident	74.3	Confident	74 Å²	74	77.3 Å²	77.3	45%	0.454	41%	0.405	S	S	.	.	H	α-helix	trans	-59.3	-43.5	171.2	-52.7	0	0	0	0	111.6	H92 I98 I99 D100	H92-T96 PolarHBondContact O-N 2.83Å; H92-T96 PolarHBondContact O-OG1 2.83Å; T96-I98 PolarHBondContact O-N 2.91Å; T96-I99 PolarHBondContact O-N 3.41Å; T96-I99 VanDerWaalsContact O-N 3.13Å; T96-D100 PolarHBondContact O-N 3.15Å
97	S	76.8	Confident	75.8	Confident	20 Å²	20	78.2 Å²	78.2	14%	0.14	40%	0.4	C	S	.	.	H	α-helix	trans	-60.6	-30.6	176.7	-56	0	0	0	0	113	A80 E93 K94 F95 A101	A80-S97 WeakPolarHBondContact CB-O 3.48Å; E93-S97 WeakPolarHBondContact O-CB 3.38Å; E93-S97 PolarHBondContact O-N 3.41Å; E93-S97 PolarHBondContact O-OG 2.85Å; K94-S97 WeakPolarHBondContact O-CB 3.48Å; K94-S97 PolarHBondContact O-N 3.1Å; F95-S97 VanDerWaalsContact C-N 3.33Å; F95-S97 PolarHBondContact O-N 3.41Å; S97-A101 WeakPolarHBondContact O-CB 3.47Å; S97-A101 PolarHBondContact O-N 3.38Å
98	I	82.5	Confident	76.9	Confident	31 Å²	31	79.4 Å²	79.4	16%	0.159	40%	0.4	C	S	.	.	H	α-helix	trans	-77.5	-37.6	175.9	-66.2	155.8	0	0	0	111.3	L69 I82 K94 F95 T96 A101 N102	L69-I98 HydrophobicContact CD2-CD1 3.55Å; L69-I98 HydrophobicContact CD2-CG1 4.06Å; I82-I98 HydrophobicContact CD1-CD1 4.05Å; I82-I98 HydrophobicContact CD1-CG1 3.74Å; I82-I98 HydrophobicContact CG1-CG1 4.21Å; K94-I98 WeakPolarHBondContact O-CD1 3.26Å; K94-I98 VanDerWaalsContact O-CG1 3.29Å; K94-I98 WeakPolarHBondContact O-CG1 3.37Å; K94-I98 PolarHBondContact O-N 3.23Å; F95-I98 PolarHBondContact O-N 2.89Å; F95-I98 VanDerWaalsContact O-N 3.15Å; T96-I98 PolarHBondContact O-N 2.91Å; I98-A101 PolarHBondContact O-N 3.02Å; I98-N102 PolarHBondContact O-N 2.96Å
99	I	83.8	Confident	77.8	Confident	69 Å²	69	77.7 Å²	77.7	35%	0.354	39%	0.385	S	S	.	.	H	α-helix	trans	-62.9	-52.5	173.9	-66.6	165.2	0	0	0	109.9	F95 T96 A101 N102 D103	F95-I99 HydrophobicContact CD1-CD1 3.83Å; F95-I99 HydrophobicContact CE1-CD1 3.65Å; F95-I99 HydrophobicContact CE1-CG1 4.46Å; F95-I99 HydrophobicContact CZ-CD1 4.26Å; F95-I99 WeakPolarHBondContact O-CG1 3.45Å; F95-I99 PolarHBondContact O-N 3.17Å; T96-I99 PolarHBondContact O-N 3.41Å; T96-I99 VanDerWaalsContact O-N 3.13Å; I99-A101 PolarHBondContact O-N 3.38Å; I99-N102 PolarHBondContact O-N 3.25Å; I99-D103 PolarHBondContact O-N 3.24Å
100	D	76.9	Confident	78.5	Confident	72 Å²	72	77.4 Å²	77.4	39%	0.385	39%	0.392	S	S	.	.	H	α-helix	trans	-55.1	-28.9	176.5	-75.5	6.6	0	0	0	113	T96 R104	T96-D100 PolarHBondContact O-N 3.15Å; D100-R104 VanDerWaalsContact O-CD 3.24Å; D100-R104 WeakPolarHBondContact O-CD 3.36Å; D100-R104 VanDerWaalsContact O-CG 3.23Å; D100-R104 WeakPolarHBondContact O-CG 3.36Å; D100-R104 PolarHBondContact O-NE 2.99Å; D100-R104 VanDerWaalsContact O-NE 3.08Å
101	A	78.2	Confident	78.6	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-79.6	-44.7	176.5	0	0	0	0	0	112.1	L73 A78 A80 S97 I98 I99 R104 I105	L73-A101 HydrophobicContact CD1-CB 4.1Å; L73-A101 HydrophobicContact CD2-CB 3.9Å; A78-A101 HydrophobicContact CB-CB 4.08Å; A78-A101 WeakPolarHBondContact O-CB 3.28Å; A80-A101 HydrophobicContact CB-CB 4.03Å; S97-A101 WeakPolarHBondContact O-CB 3.47Å; S97-A101 PolarHBondContact O-N 3.38Å; I98-A101 PolarHBondContact O-N 3.02Å; I99-A101 PolarHBondContact O-N 3.38Å; A101-R104 PolarHBondContact O-N 2.94Å; A101-I105 WeakPolarHBondContact O-CG1 3.4Å; A101-I105 PolarHBondContact O-N 3.02Å; A101-I105 VanDerWaalsContact O-N 3.13Å
102	N	83.5	Confident	78.7	Confident	77 Å²	77	76.5 Å²	76.5	41%	0.412	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-43.9	175.4	-80.3	-14.7	0	0	0	112.1	I98 I99 R104 I105 L106	I98-N102 PolarHBondContact O-N 2.96Å; I99-N102 PolarHBondContact O-N 3.25Å; N102-R104 VanDerWaalsContact C-N 3.26Å; N102-R104 PolarHBondContact O-N 3.18Å; N102-I105 WeakPolarHBondContact O-CB 3.28Å; N102-I105 PolarHBondContact O-N 2.84Å; N102-L106 WeakPolarHBondContact O-CG 3.49Å; N102-L106 PolarHBondContact O-N 3.45Å
103	D	83.3	Confident	78.7	Confident	94 Å²	94	73.8 Å²	73.8	50%	0.503	38%	0.379	S	S	.	.	H	α-helix	trans	-60.2	-37.5	180	-72.1	-12	0	0	0	111.4	I99 L106 E107	I99-D103 PolarHBondContact O-N 3.24Å; D103-L106 PolarHBondContact O-N 3.4Å; D103-E107 WeakPolarHBondContact O-CB 3.49Å; D103-E107 PolarHBondContact O-N 2.99Å
104	R	75.5	Confident	78.6	Confident	94 Å²	94	72.6 Å²	72.6	36%	0.355	38%	0.376	S	S	.	.	H	α-helix	trans	-70.8	-32.1	174.2	-65	168.8	-159.2	168.3	9.2	113.2	K79 D100 A101 N102 K108	K79-R104 PolarHBondContact O-NH1 2.81Å; D100-R104 VanDerWaalsContact O-CD 3.24Å; D100-R104 WeakPolarHBondContact O-CD 3.36Å; D100-R104 VanDerWaalsContact O-CG 3.23Å; D100-R104 WeakPolarHBondContact O-CG 3.36Å; D100-R104 PolarHBondContact O-NE 2.99Å; D100-R104 VanDerWaalsContact O-NE 3.08Å; A101-R104 PolarHBondContact O-N 2.94Å; N102-R104 VanDerWaalsContact C-N 3.26Å; N102-R104 PolarHBondContact O-N 3.18Å; R104-K108 WeakPolarHBondContact O-CB 3.2Å; R104-K108 VanDerWaalsContact O-CG 3.32Å; R104-K108 WeakPolarHBondContact O-CG 3.25Å; R104-K108 PolarHBondContact O-N 2.76Å
105	I	78.4	Confident	78.1	Confident	49 Å²	49	74.5 Å²	74.5	25%	0.251	39%	0.385	S	S	.	.	H	α-helix	trans	-67.7	-41.7	172.8	-67.2	160.8	0	0	0	109.6	L76 A78 A101 N102 K108 L109	L76-I105 HydrophobicContact CB-CD1 4.38Å; L76-I105 HydrophobicContact CD1-CD1 3.91Å; A78-I105 HydrophobicContact CB-CD1 3.75Å; A78-I105 HydrophobicContact CB-CG1 4Å; A101-I105 WeakPolarHBondContact O-CG1 3.4Å; A101-I105 PolarHBondContact O-N 3.02Å; A101-I105 VanDerWaalsContact O-N 3.13Å; N102-I105 WeakPolarHBondContact O-CB 3.28Å; N102-I105 PolarHBondContact O-N 2.84Å; I105-K108 PolarHBondContact O-N 3.49Å; I105-L109 WeakPolarHBondContact O-CB 3.44Å; I105-L109 PolarHBondContact O-N 3.31Å
106	L	82.5	Confident	77.6	Confident	103 Å²	103	74.5 Å²	74.5	54%	0.539	39%	0.386	S	S	.	.	H	α-helix	trans	-68	-37.3	176.2	-66.9	173	0	0	0	112.2	N102 D103 L109 A110	N102-L106 WeakPolarHBondContact O-CG 3.49Å; N102-L106 PolarHBondContact O-N 3.45Å; D103-L106 PolarHBondContact O-N 3.4Å; L106-L109 PolarHBondContact O-N 2.83Å; L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 3.43Å
107	E	79.7	Confident	77.2	Confident	127 Å²	127	79 Å²	79	59%	0.593	40%	0.402	S	S	*	.	H	α-helix	trans	-63.1	-48	172.1	-173.4	178.1	-149.2	0	0	111.4	D103 L109 A110 M111	D103-E107 WeakPolarHBondContact O-CB 3.49Å; D103-E107 PolarHBondContact O-N 2.99Å; E107-L109 VanDerWaalsContact C-N 3.28Å; E107-L109 PolarHBondContact O-N 3.32Å; E107-A110 PolarHBondContact O-N 2.76Å; E107-M111 WeakPolarHBondContact O-CG 3.5Å; E107-M111 PolarHBondContact O-N 3.13Å
108	K	75.4	Confident	76.4	Confident	92 Å²	92	80.7 Å²	80.7	40%	0.4	41%	0.41	S	S	.	.	H	α-helix	trans	-55.9	-41.9	172.4	-78	173.6	173.9	178.7	0	111.9	L76 D77 R104 I105 A112	L76-K108 PolarHBondContact O-NZ 3.08Å; D77-K108 PolarHBondContact O-NZ 2.9Å; D77-K108 IonicContact OD2-NZ 2.66Å; D77-K108 PolarHBondContact OD2-NZ 2.9Å; R104-K108 WeakPolarHBondContact O-CB 3.2Å; R104-K108 VanDerWaalsContact O-CG 3.32Å; R104-K108 WeakPolarHBondContact O-CG 3.25Å; R104-K108 PolarHBondContact O-N 2.76Å; I105-K108 PolarHBondContact O-N 3.49Å; K108-A112 WeakPolarHBondContact O-CB 3.39Å; K108-A112 PolarHBondContact O-N 3.12Å; K108-A112 VanDerWaalsContact O-N 3.09Å
109	L	78.6	Confident	75.5	Confident	92 Å²	92	83.7 Å²	83.7	48%	0.482	43%	0.431	S	S	.	.	H	α-helix	trans	-68.7	-43.8	178.9	-178.8	63.7	0	0	0	112.2	I105 L106 E107 M111 A112 M113	I105-L109 WeakPolarHBondContact O-CB 3.44Å; I105-L109 PolarHBondContact O-N 3.31Å; L106-L109 PolarHBondContact O-N 2.83Å; E107-L109 VanDerWaalsContact C-N 3.28Å; E107-L109 PolarHBondContact O-N 3.32Å; L109-M111 PolarHBondContact O-N 3.15Å; L109-A112 WeakPolarHBondContact O-CB 3.48Å; L109-A112 PolarHBondContact O-N 3.45Å; L109-A112 VanDerWaalsContact O-N 3.14Å; L109-M113 HydrophobicContact CG-CE 4.39Å; L109-M113 WeakPolarHBondContact O-CG 3.5Å; L109-M113 PolarHBondContact O-N 2.84Å
110	A	78.2	Confident	74.1	Confident	43 Å²	43	88.1 Å²	88.1	36%	0.355	45%	0.451	S	S	.	.	H	α-helix	trans	-59.3	-47.1	176.3	0	0	0	0	0	111.1	L106 E107 A112 M113 D114	L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 3.43Å; E107-A110 PolarHBondContact O-N 2.76Å; A110-A112 VanDerWaalsContact C-N 3.29Å; A110-A112 PolarHBondContact O-N 3.22Å; A110-M113 PolarHBondContact O-N 2.91Å; A110-D114 PolarHBondContact O-N 3.13Å
111	M	73.7	Confident	73	Confident	102 Å²	102	91 Å²	91	50%	0.502	46%	0.456	S	S	.	.	H	α-helix	trans	-58.4	-39.8	173.9	-68.1	-179.2	70.5	0	0	112.5	E107 L109 D114 F115	E107-M111 WeakPolarHBondContact O-CG 3.5Å; E107-M111 PolarHBondContact O-N 3.13Å; L109-M111 PolarHBondContact O-N 3.15Å; M111-D114 PolarHBondContact O-N 2.72Å; M111-F115 WeakPolarHBondContact O-CD2 2.91Å; M111-F115 PolarHBondContact O-N 2.88Å
112	A	74.2	Confident	71.9	Confident	51 Å²	51	95.4 Å²	95.4	42%	0.421	48%	0.475	S	S	.	.	H	α-helix	trans	-66.9	-36.9	177.9	0	0	0	0	0	112.9	K108 L109 A110 F115 E116	K108-A112 WeakPolarHBondContact O-CB 3.39Å; K108-A112 PolarHBondContact O-N 3.12Å; K108-A112 VanDerWaalsContact O-N 3.09Å; L109-A112 WeakPolarHBondContact O-CB 3.48Å; L109-A112 PolarHBondContact O-N 3.45Å; L109-A112 VanDerWaalsContact O-N 3.14Å; A110-A112 VanDerWaalsContact C-N 3.29Å; A110-A112 PolarHBondContact O-N 3.22Å; A112-F115 PolarHBondContact O-N 3.35Å; A112-E116 PolarHBondContact O-N 2.83Å
113	M	76.3	Confident	70.4	Confident	102 Å²	102	94.4 Å²	94.4	50%	0.502	48%	0.477	S	S	.	.	H	α-helix	trans	-68.3	-45.2	174.3	-65.1	-175.1	-58.3	0	0	111.4	L109 A110 F115 E116 E117	L109-M113 HydrophobicContact CG-CE 4.39Å; L109-M113 WeakPolarHBondContact O-CG 3.5Å; L109-M113 PolarHBondContact O-N 2.84Å; A110-M113 PolarHBondContact O-N 2.91Å; M113-F115 PolarHBondContact O-N 3.07Å; M113-F115 VanDerWaalsContact O-N 3.11Å; M113-E116 PolarHBondContact O-N 2.72Å; M113-E117 PolarHBondContact O-N 3.07Å
114	D	73.8	Confident	68.6	Low	80 Å²	80	96.2 Å²	96.2	43%	0.428	48%	0.481	S	S	.	.	H	α-helix	trans	-54.2	-28.9	174.2	-98.5	51.1	0	0	0	113.2	A110 M111 R121	A110-D114 PolarHBondContact O-N 3.13Å; M111-D114 PolarHBondContact O-N 2.72Å; D114-R121 IonicContact OD2-NH1 2.74Å; D114-R121 PolarHBondContact OD2-NH1 2.88Å
115	F	65.7	Low	67.1	Low	62 Å²	62	97.3 Å²	97.3	27%	0.272	49%	0.489	S	S	.	.	H	α-helix	trans	-84.7	-17.9	177.1	-74.2	-53.4	0	0	0	114.8	M111 A112 M113 K122 F125	M111-F115 WeakPolarHBondContact O-CD2 2.91Å; M111-F115 PolarHBondContact O-N 2.88Å; A112-F115 PolarHBondContact O-N 3.35Å; M113-F115 PolarHBondContact O-N 3.07Å; M113-F115 VanDerWaalsContact O-N 3.11Å; F115-K122 WeakPolarHBondContact O-CD 3.42Å; F115-F125 HydrophobicContact CE1-CB 4.43Å; F115-F125 HydrophobicContact CE1-CD1 4.03Å; F115-F125 HydrophobicContact CE1-CE1 4.45Å; F115-F125 HydrophobicContact CE1-CG 4.13Å; F115-F125 HydrophobicContact CZ-CD1 4.21Å; F115-F125 HydrophobicContact CZ-CE1 4.16Å
116	E	71.2	Confident	65.7	Low	130 Å²	130	100.3 Å²	100.3	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-99.5	-30.7	177.1	-65.6	-55.3	128.7	0	0	112.8	A112 M113 D118 K122	A112-E116 PolarHBondContact O-N 2.83Å; M113-E116 PolarHBondContact O-N 2.72Å; E116-D118 VanDerWaalsContact C-N 3.32Å; E116-D118 PolarHBondContact O-N 3.22Å; E116-K122 IonicContact OE1-NZ 3.98Å; E116-K122 PolarHBondContact OE1-NZ 3.17Å; E116-K122 IonicContact OE2-NZ 3.4Å
117	E	72.1	Confident	63.9	Low	168 Å²	168	103.4 Å²	103.4	79%	0.785	51%	0.514	S	S	*	.	H	α-helix	trans	-67	-30.9	175.8	-71.4	-165.5	168.5	0	0	113	M113	M113-E117 PolarHBondContact O-N 3.07Å
118	D	61.8	Low	62	Low	56 Å²	56	100.8 Å²	100.8	30%	0.299	51%	0.506	S	S	.	.			trans	-129.3	92.5	-177.6	-175.8	-5.7	0	0	0	112.7	E116 Q120 R121 K122	E116-D118 VanDerWaalsContact C-N 3.32Å; E116-D118 PolarHBondContact O-N 3.22Å; D118-Q120 PolarHBondContact O-N 3.15Å; D118-Q120 VanDerWaalsContact OD1-CA 3.29Å; D118-Q120 WeakPolarHBondContact OD1-CA 3.07Å; D118-Q120 VanDerWaalsContact OD1-CB 3.28Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.18Å; D118-Q120 PolarHBondContact OD1-N 2.8Å; D118-R121 HydrophobicContact CB-CB 3.89Å; D118-R121 HydrophobicContact CB-CG 4.23Å; D118-R121 VanDerWaalsContact CG-N 3.32Å; D118-R121 WeakPolarHBondContact O-CB 3.36Å; D118-R121 PolarHBondContact O-N 3.13Å; D118-R121 VanDerWaalsContact O-N 3.15Å; D118-R121 PolarHBondContact OD1-N 2.99Å; D118-R121 VanDerWaalsContact OD2-CD 3.26Å; D118-R121 WeakPolarHBondContact OD2-CD 3.48Å; D118-R121 WeakPolarHBondContact OD2-CG 3.36Å; D118-R121 IonicContact OD2-NE 3.38Å; D118-K122 PolarHBondContact O-N 2.89Å
119	P	62.4	Low	60.5	Low	94 Å²	94	102.8 Å²	102.8	61%	0.61	51%	0.512	S	S	*	.	H	α-helix	trans	-60.4	-24	172.4	-25.3	35.4	0	0	0	114.2	K122 A123	P119-K122 WeakPolarHBondContact O-CB 3.41Å; P119-K122 PolarHBondContact O-N 3.29Å; P119-A123 PolarHBondContact O-N 2.96Å; P119-A123 VanDerWaalsContact O-N 3.1Å
120	Q	55	Low	58.5	Low	162 Å²	162	101.5 Å²	101.5	76%	0.757	51%	0.51	S	S	*	.	H	α-helix	trans	-74.9	-38.7	175.1	-58.8	-168.1	3.4	0	0	110.8	D118 K122 A123 F124	D118-Q120 PolarHBondContact O-N 3.15Å; D118-Q120 VanDerWaalsContact OD1-CA 3.29Å; D118-Q120 WeakPolarHBondContact OD1-CA 3.07Å; D118-Q120 VanDerWaalsContact OD1-CB 3.28Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.18Å; D118-Q120 PolarHBondContact OD1-N 2.8Å; Q120-K122 VanDerWaalsContact C-N 3.33Å; Q120-A123 PolarHBondContact O-N 3.16Å; Q120-F124 WeakPolarHBondContact O-CB 3.31Å; Q120-F124 PolarHBondContact O-N 3.4Å
121	R	54.3	Low	56.5	Low	134 Å²	134	107.8 Å²	107.8	51%	0.506	53%	0.532	S	S	.	.	H	α-helix	trans	-58.9	-42.6	165.7	-92.6	172.1	178.8	-149.3	5.5	111.9	D114 D118 A123 F124 F125	D114-R121 IonicContact OD2-NH1 2.74Å; D114-R121 PolarHBondContact OD2-NH1 2.88Å; D118-R121 HydrophobicContact CB-CB 3.89Å; D118-R121 HydrophobicContact CB-CG 4.23Å; D118-R121 VanDerWaalsContact CG-N 3.32Å; D118-R121 WeakPolarHBondContact O-CB 3.36Å; D118-R121 PolarHBondContact O-N 3.13Å; D118-R121 VanDerWaalsContact O-N 3.15Å; D118-R121 PolarHBondContact OD1-N 2.99Å; D118-R121 VanDerWaalsContact OD2-CD 3.26Å; D118-R121 WeakPolarHBondContact OD2-CD 3.48Å; D118-R121 WeakPolarHBondContact OD2-CG 3.36Å; D118-R121 IonicContact OD2-NE 3.38Å; R121-A123 VanDerWaalsContact C-N 3.29Å; R121-A123 PolarHBondContact O-N 2.73Å; R121-F124 PolarHBondContact O-N 2.82Å; R121-F125 VanDerWaalsContact O-CB 3.22Å; R121-F125 WeakPolarHBondContact O-CB 3.38Å; R121-F125 PolarHBondContact O-N 2.87Å
122	K	54.7	Low	54.6	Low	92 Å²	92	107.5 Å²	107.5	40%	0.4	53%	0.533	S	S	.	.	H	α-helix	trans	-56	-43.5	176.4	-153.8	175.1	-166.6	164.2	0	111.4	F115 E116 D118 P119 Q120 L126	F115-K122 WeakPolarHBondContact O-CD 3.42Å; E116-K122 IonicContact OE1-NZ 3.98Å; E116-K122 PolarHBondContact OE1-NZ 3.17Å; E116-K122 IonicContact OE2-NZ 3.4Å; D118-K122 PolarHBondContact O-N 2.89Å; P119-K122 WeakPolarHBondContact O-CB 3.41Å; P119-K122 PolarHBondContact O-N 3.29Å; Q120-K122 VanDerWaalsContact C-N 3.33Å; K122-L126 WeakPolarHBondContact O-CG 3.37Å
123	A	51.1	Low	52.9	Low	55 Å²	55	108.7 Å²	108.7	46%	0.455	53%	0.532	S	S	.	.	H	α-helix	trans	-75.7	-36.4	174.9	0	0	0	0	0	114.2	P119 Q120 R121 L126 K127	P119-A123 PolarHBondContact O-N 2.96Å; P119-A123 VanDerWaalsContact O-N 3.1Å; Q120-A123 PolarHBondContact O-N 3.16Å; R121-A123 VanDerWaalsContact C-N 3.29Å; R121-A123 PolarHBondContact O-N 2.73Å; A123-L126 WeakPolarHBondContact O-CB 3.33Å; A123-L126 PolarHBondContact O-N 3.4Å; A123-K127 PolarHBondContact O-N 2.8Å
124	F	45.5	Very low	51.1	Low	133 Å²	133	106.9 Å²	106.9	58%	0.583	53%	0.526	S	S	*	.	H	α-helix	trans	-71.9	-37.6	-179.5	-173.4	-94.2	0	0	0	111.7	Q120 R121 L126 K127 T128	Q120-F124 WeakPolarHBondContact O-CB 3.31Å; Q120-F124 PolarHBondContact O-N 3.4Å; R121-F124 PolarHBondContact O-N 2.82Å; F124-L126 PolarHBondContact O-N 2.99Å; F124-K127 PolarHBondContact O-N 3.41Å; F124-T128 WeakPolarHBondContact CD1-OG1 3.24Å; F124-T128 WeakPolarHBondContact CD2-OG1 3.38Å; F124-T128 HydrophobicContact CE1-CG2 3.81Å; F124-T128 VanDerWaalsContact CE1-OG1 3.29Å; F124-T128 WeakPolarHBondContact CE1-OG1 3.47Å; F124-T128 HydrophobicContact CE2-CG2 4.35Å; F124-T128 WeakPolarHBondContact CE2-OG1 3.3Å; F124-T128 WeakPolarHBondContact CG-OG1 3.47Å; F124-T128 HydrophobicContact CZ-CG2 3.71Å; F124-T128 WeakPolarHBondContact CZ-OG1 3.37Å; F124-T128 VanDerWaalsContact O-CB 3.27Å; F124-T128 WeakPolarHBondContact O-CB 3.47Å; F124-T128 PolarHBondContact O-N 3.45Å; F124-T128 PolarHBondContact O-OG1 3.47Å
125	F	44	Very low	49.1	Very low	117 Å²	117	106.1 Å²	106.1	51%	0.513	52%	0.524	S	S	.	.	H	α-helix	trans	-66.2	-18.3	173.5	-164.7	-97.7	0	0	0	113	F115 R121 R129	F115-F125 HydrophobicContact CE1-CB 4.43Å; F115-F125 HydrophobicContact CE1-CD1 4.03Å; F115-F125 HydrophobicContact CE1-CE1 4.45Å; F115-F125 HydrophobicContact CE1-CG 4.13Å; F115-F125 HydrophobicContact CZ-CD1 4.21Å; F115-F125 HydrophobicContact CZ-CE1 4.16Å; R121-F125 VanDerWaalsContact O-CB 3.22Å; R121-F125 WeakPolarHBondContact O-CB 3.38Å; R121-F125 PolarHBondContact O-N 2.87Å; F125-R129 PolarHBondContact O-NE 2.75Å
126	L	49.2	Very low	47.5	Very low	112 Å²	112	105.4 Å²	105.4	59%	0.586	53%	0.53	S	S	*	.	H	α-helix	trans	-86.3	-47.3	168.5	-66.5	168.7	0	0	0	111.7	K122 A123 F124	K122-L126 WeakPolarHBondContact O-CG 3.37Å; A123-L126 WeakPolarHBondContact O-CB 3.33Å; A123-L126 PolarHBondContact O-N 3.4Å; F124-L126 PolarHBondContact O-N 2.99Å
127	K	44.2	Very low	45.5	Very low	167 Å²	167	102.5 Å²	102.5	73%	0.726	52%	0.521	S	S	*	.	H	α-helix	trans	-72.2	-44	-177.7	-86.3	-172.3	169.6	-176.6	0	115	A123 F124 R129 S130	A123-K127 PolarHBondContact O-N 2.8Å; F124-K127 PolarHBondContact O-N 3.41Å; K127-R129 PolarHBondContact O-N 3.46Å; K127-S130 PolarHBondContact O-OG 2.74Å
128	T	41.2	Very low	43.5	Very low	72 Å²	72	101.4 Å²	101.4	44%	0.442	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-77.7	11.6	-171.9	-45.3	0	0	0	0	112.9	F124 S130	F124-T128 WeakPolarHBondContact CD1-OG1 3.24Å; F124-T128 WeakPolarHBondContact CD2-OG1 3.38Å; F124-T128 HydrophobicContact CE1-CG2 3.81Å; F124-T128 VanDerWaalsContact CE1-OG1 3.29Å; F124-T128 WeakPolarHBondContact CE1-OG1 3.47Å; F124-T128 HydrophobicContact CE2-CG2 4.35Å; F124-T128 WeakPolarHBondContact CE2-OG1 3.3Å; F124-T128 WeakPolarHBondContact CG-OG1 3.47Å; F124-T128 HydrophobicContact CZ-CG2 3.71Å; F124-T128 WeakPolarHBondContact CZ-OG1 3.37Å; F124-T128 VanDerWaalsContact O-CB 3.27Å; F124-T128 WeakPolarHBondContact O-CB 3.47Å; F124-T128 PolarHBondContact O-N 3.45Å; F124-T128 PolarHBondContact O-OG1 3.47Å; T128-S130 PolarHBondContact O-N 3.19Å
129	R	43.8	Very low	41.8	Very low	135 Å²	135	108.5 Å²	108.5	51%	0.509	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-67.5	-10.6	166.3	-67.7	179.8	171.9	-163.8	-5.4	113.6	F125 K127	F125-R129 PolarHBondContact O-NE 2.75Å; K127-R129 PolarHBondContact O-N 3.46Å
130	S	36.8	Very low	40.2	Very low	64 Å²	64	113.4 Å²	113.4	45%	0.448	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-90.6	-12.7	-160	-50.5	0	0	0	0	116	K127 T128	K127-S130 PolarHBondContact O-OG 2.74Å; T128-S130 PolarHBondContact O-N 3.19Å
131	E	34.7	Very low	39	Very low	176 Å²	176	112.8 Å²	112.8	82%	0.822	55%	0.552	S	S	*	*	S	Bend	trans	-126.4	56.9	-163.7	-63.7	-175.5	173.8	0	0	115.2
132	D	35.1	Very low	37.8	Very low	96 Å²	96	110.4 Å²	110.4	51%	0.513	55%	0.552	S	S	.	*			trans	-156.1	53.3	159.7	-154.3	25.1	0	0	0	113.1	V134 K174	D132-V134 PolarHBondContact O-N 3.29Å; D132-K174 IonicContact OD2-NZ 2.68Å; D132-K174 PolarHBondContact OD2-NZ 2.99Å
133	L	37.8	Very low	36.8	Very low	76 Å²	76	111.2 Å²	111.2	40%	0.398	57%	0.565	S	S	.	*			trans	-75.8	80.4	178.9	-95.4	166.8	0	0	0	112.6	V135 I395 P399	L133-V135 PolarHBondContact O-N 2.78Å; L133-I395 HydrophobicContact CD2-CG2 4.3Å; L133-P399 HydrophobicContact CD1-CG 4.04Å; L133-P399 HydrophobicContact CD2-CG 4.5Å
134	V	38.1	Very low	36.1	Very low	64 Å²	64	113.7 Å²	113.7	39%	0.388	58%	0.579	S	S	.	*			trans	-77.5	108.1	176.8	-176.4	0	0	0	0	111.5	D132 A136	D132-V134 PolarHBondContact O-N 3.29Å; V134-A136 PolarHBondContact O-N 3.06Å; V134-A136 VanDerWaalsContact O-N 3.11Å
135	V	33.3	Very low	35.4	Very low	64 Å²	64	112.2 Å²	112.2	39%	0.388	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-72.8	97.5	174.5	-177	0	0	0	0	110.7	L133 V137 K169 L171	L133-V135 PolarHBondContact O-N 2.78Å; V135-V137 HydrophobicContact CG1-CG2 4.44Å; V135-V137 PolarHBondContact O-N 2.9Å; V135-V137 VanDerWaalsContact O-N 3.1Å; V135-K169 HydrophobicContact CG1-CB 4.14Å; V135-K169 HydrophobicContact CG1-CD 3.54Å; V135-K169 HydrophobicContact CG1-CG 3.72Å; V135-L171 HydrophobicContact CG2-CD2 3.96Å
136	A	32.2	Very low	35.1	Very low	47 Å²	47	111.5 Å²	111.5	39%	0.388	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.3	91.5	178.3	0	0	0	0	0	111.2	V134 H138 L170	V134-A136 PolarHBondContact O-N 3.06Å; V134-A136 VanDerWaalsContact O-N 3.11Å; A136-H138 PolarHBondContact O-N 3.33Å; A136-H138 VanDerWaalsContact O-N 3.1Å; A136-L170 HydrophobicContact CB-CB 4.25Å; A136-L170 WeakPolarHBondContact CB-O 3.42Å; A136-L170 PolarHBondContact N-O 2.98Å; A136-L170 VanDerWaalsContact N-O 3.1Å; A136-L170 PolarHBondContact O-N 2.74Å
137	V	28	Very low	34.8	Very low	69 Å²	69	115.8 Å²	115.8	42%	0.418	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.7	103.5	167.9	-179.3	0	0	0	0	108.6	V135 R139 K169	V135-V137 HydrophobicContact CG1-CG2 4.44Å; V135-V137 PolarHBondContact O-N 2.9Å; V135-V137 VanDerWaalsContact O-N 3.1Å; V137-R139 VanDerWaalsContact C-N 3.26Å; V137-R139 HydrophobicContact CG1-CG 4.31Å; V137-R139 PolarHBondContact O-N 2.98Å; V137-K169 HydrophobicContact CG2-CG 4.09Å
138	H	30.8	Very low	34.5	Very low	145 Å²	145	112.6 Å²	112.6	67%	0.671	57%	0.573	S	S	*	*			trans	-80.7	78.8	177.1	-152.8	47	0	0	0	109.7	A136 K140 L168	A136-H138 PolarHBondContact O-N 3.33Å; A136-H138 VanDerWaalsContact O-N 3.1Å; H138-K140 PolarHBondContact O-N 2.98Å; H138-L168 PolarHBondContact N-O 3.34Å
139	R	25.7	Very low	34.3	Very low	204 Å²	204	116.6 Å²	116.6	77%	0.77	59%	0.585	S	S	*	*			trans	-53.1	131	163.7	-73	-173.7	175.4	180	-1.2	107.5	V137 N141	V137-R139 VanDerWaalsContact C-N 3.26Å; V137-R139 HydrophobicContact CG1-CG 4.31Å; V137-R139 PolarHBondContact O-N 2.98Å; R139-N141 PolarHBondContact O-N 2.86Å
140	K	29.2	Very low	33.9	Very low	197 Å²	197	116.3 Å²	116.3	86%	0.857	60%	0.598	S	S	*	*			trans	-59.4	102.5	166.8	-71.4	178.2	179.7	174	0	106.9	H138 T142	H138-K140 PolarHBondContact O-N 2.98Å; K140-T142 VanDerWaalsContact C-N 3.32Å; K140-T142 PolarHBondContact O-N 3.13Å
141	N	28.7	Very low	33.6	Very low	150 Å²	150	123.1 Å²	123.1	80%	0.802	62%	0.62	S	S	*	*			trans	-63.1	101.9	166.7	-83.4	-3.9	0	0	0	106.4	R139 T143	R139-N141 PolarHBondContact O-N 2.86Å; N141-T143 PolarHBondContact O-N 3.43Å
142	T	30.4	Very low	33.6	Very low	83 Å²	83	122.2 Å²	122.2	51%	0.509	62%	0.621	S	S	.	*			trans	-57.6	124.7	168.2	41.9	0	0	0	0	107	K140 E146	K140-T142 VanDerWaalsContact C-N 3.32Å; K140-T142 PolarHBondContact O-N 3.13Å; T142-E146 WeakPolarHBondContact CB-OE2 3.38Å; T142-E146 WeakPolarHBondContact CG2-OE2 3.19Å; T142-E146 PolarHBondContact OG1-OE2 2.84Å
143	T	34.1	Very low	33.3	Very low	110 Å²	110	122.5 Å²	122.5	68%	0.675	63%	0.63	S	S	*	*			trans	-53.4	146.2	175.1	44	0	0	0	0	109.1	N141 L145	N141-T143 PolarHBondContact O-N 3.43Å; T143-L145 PolarHBondContact O-N 3.41Å
144	S	34.5	Very low	33	Very low	106 Å²	106	126 Å²	126	74%	0.741	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	30.6	-166.1	46.1	0	0	0	0	116.5	W147	S144-W147 VanDerWaalsContact O-CD1 3.27Å; S144-W147 PolarHBondContact O-NE1 3.2Å; S144-W147 VanDerWaalsContact O-NE1 3.14Å
145	L	32.9	Very low	32.8	Very low	103 Å²	103	132.3 Å²	132.3	54%	0.539	67%	0.674	S	S	.	*	T	Hydrogen-bonded Turn	trans	-110	3.1	-179.5	-54.8	174.9	0	0	0	111.8	T143 W147 L148	T143-L145 PolarHBondContact O-N 3.41Å; L145-W147 PolarHBondContact O-N 3.42Å; L145-L148 HydrophobicContact CB-CD1 4.18Å; L145-L148 HydrophobicContact CD2-CD1 3.83Å; L145-L148 VanDerWaalsContact O-CB 3.32Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 3.12Å
146	E	37.5	Very low	32.7	Very low	102 Å²	102	137.8 Å²	137.8	48%	0.477	70%	0.696	S	S	.	*	G	3₁₀ helix	trans	-64.4	-24.1	-175.4	-163	135.7	-115.9	0	0	113.1	T142 L148 K149	T142-E146 WeakPolarHBondContact CB-OE2 3.38Å; T142-E146 WeakPolarHBondContact CG2-OE2 3.19Å; T142-E146 PolarHBondContact OG1-OE2 2.84Å; E146-L148 PolarHBondContact O-N 3.02Å; E146-K149 PolarHBondContact O-N 3.27Å
147	W	41.2	Very low	32.6	Very low	202 Å²	202	141.5 Å²	141.5	77%	0.765	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-69.7	-14.7	171.2	69.1	-86.8	0	0	0	114.3	S144 L145 K149	S144-W147 VanDerWaalsContact O-CD1 3.27Å; S144-W147 PolarHBondContact O-NE1 3.2Å; S144-W147 VanDerWaalsContact O-NE1 3.14Å; L145-W147 PolarHBondContact O-N 3.42Å; W147-K149 VanDerWaalsContact C-N 3.35Å
148	L	39	Very low	32.7	Very low	99 Å²	99	146.3 Å²	146.3	52%	0.518	74%	0.737	S	S	.	*	G	3₁₀ helix	trans	-86	-3.6	177.3	-68.5	162.3	0	0	0	113.2	L145 E146 T150	L145-L148 HydrophobicContact CB-CD1 4.18Å; L145-L148 HydrophobicContact CD2-CD1 3.83Å; L145-L148 VanDerWaalsContact O-CB 3.32Å; L145-L148 WeakPolarHBondContact O-CB 3.44Å; L145-L148 PolarHBondContact O-N 3.12Å; E146-L148 PolarHBondContact O-N 3.02Å; L148-T150 PolarHBondContact O-N 3.41Å
149	K	36	Very low	32.6	Very low	157 Å²	157	148.4 Å²	148.4	68%	0.683	75%	0.747	S	S	*	*	S	Bend	trans	-81.5	97.1	171	-74.6	-179.5	179.5	169.4	0	109.9	E146 W147 K151	E146-K149 PolarHBondContact O-N 3.27Å; W147-K149 VanDerWaalsContact C-N 3.35Å; K149-K151 PolarHBondContact O-N 3.29Å
150	T	36	Very low	32.6	Very low	129 Å²	129	142.5 Å²	142.5	79%	0.791	75%	0.75	S	S	*	*			trans	-56.7	130.4	173.1	43.5	0	0	0	0	111.3	L148 N152	L148-T150 PolarHBondContact O-N 3.41Å; T150-N152 PolarHBondContact O-N 3.1Å
151	K	30	Very low	32.6	Very low	206 Å²	206	138.9 Å²	138.9	90%	0.896	74%	0.744	S	S	*	*			trans	-67.4	112.7	175.9	-64.1	179.7	179.8	-178.4	0	109.9	K149	K149-K151 PolarHBondContact O-N 3.29Å
152	N	35.3	Very low	32.6	Very low	158 Å²	158	137.4 Å²	137.4	85%	0.845	74%	0.736	S	S	*	*			trans	-106.8	122.8	154.7	-86.8	-2.7	0	0	0	107.9	T150	T150-N152 PolarHBondContact O-N 3.1Å
153	S	29.4	Very low	32.7	Very low	102 Å²	102	140.6 Å²	140.6	71%	0.713	75%	0.749	S	S	*	*			trans	-78.9	139.3	174.7	51.6	0	0	0	0	111
154	N	30.5	Very low	32.7	Very low	149 Å²	149	138.8 Å²	138.8	80%	0.797	74%	0.741	S	S	*	*				173.8	172.4	124.4	-86.7	3.9	0	0	0	110.4
155	E	34.9	Very low	32.8	Very low	197 Å²	197	140.6 Å²	140.6	92%	0.921	74%	0.738	S	S	*	*			trans	80.8	140.4	176.9	-55.5	-174.5	175.2	0	0	115.5
156	E	30.7	Very low	32.8	Very low	178 Å²	178	143.1 Å²	143.1	83%	0.832	75%	0.752	S	S	*	*			trans	-126.8	166.8	-154	-62.2	171.4	118.7	0	0	111.1
157	T	28.9	Very low	32.5	Very low	125 Å²	125	140.7 Å²	140.7	77%	0.767	75%	0.746	S	S	*	*			trans	38.8	95.6	155.8	55	0	0	0	0	118.1
158	N	31	Very low	32.3	Very low	171 Å²	171	136.1 Å²	136.1	91%	0.914	74%	0.736	S	S	*	*			trans	-142.5	128.2	133.4	-97.9	-65.6	0	0	0	108.9
159	E	28	Very low	32.3	Very low	189 Å²	189	134.9 Å²	134.9	88%	0.883	73%	0.726	S	S	*	*			trans	-89.9	164.5	-177.9	-58.6	-178.7	132.5	0	0	111.3
160	G	26.5	Very low	32.6	Very low	80 Å²	80	131.5 Å²	131.5	83%	0.825	72%	0.715	S	S	*	*			trans	82.8	37.5	152.5	0	0	0	0	0	119.2
161	V	28.5	Very low	33.1	Very low	121 Å²	121	125.8 Å²	125.8	73%	0.733	68%	0.68	S	S	*	*			trans	-132.6	111.7	155.7	-175.9	0	0	0	0	110.1	L163	V161-L163 HydrophobicContact CG1-CD2 4.49Å; V161-L163 PolarHBondContact O-N 3.07Å; V161-L163 VanDerWaalsContact O-N 3.09Å
162	D	28.8	Very low	33.8	Very low	118 Å²	118	118.8 Å²	118.8	63%	0.631	66%	0.657	S	S	*	*			trans	-78.7	95.4	-179.7	-161	-36.5	0	0	0	111.1	S164	D162-S164 PolarHBondContact O-N 2.86Å; D162-S164 WeakPolarHBondContact OD1-CB 3.47Å; D162-S164 PolarHBondContact OD1-N 3.34Å; D162-S164 VanDerWaalsContact OD1-N 3.08Å; D162-S164 PolarHBondContact OD1-OG 2.97Å
163	L	32.4	Very low	34.4	Very low	150 Å²	150	113 Å²	113	79%	0.785	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	5.2	-177.7	-70.9	166.7	0	0	0	114.1	V161	V161-L163 HydrophobicContact CG1-CD2 4.49Å; V161-L163 PolarHBondContact O-N 3.07Å; V161-L163 VanDerWaalsContact O-N 3.09Å
164	S	35.5	Very low	35.6	Very low	72 Å²	72	114.6 Å²	114.6	50%	0.503	62%	0.623	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.2	-25.1	178.7	70.2	0	0	0	0	114.6	D162 N166 S167	D162-S164 PolarHBondContact O-N 2.86Å; D162-S164 WeakPolarHBondContact OD1-CB 3.47Å; D162-S164 PolarHBondContact OD1-N 3.34Å; D162-S164 VanDerWaalsContact OD1-N 3.08Å; D162-S164 PolarHBondContact OD1-OG 2.97Å; S164-N166 PolarHBondContact O-N 3.42Å; S164-S167 WeakPolarHBondContact O-CB 3.39Å; S164-S167 PolarHBondContact O-N 2.85Å; S164-S167 PolarHBondContact O-OG 2.82Å
165	E	35.2	Very low	37.3	Very low	144 Å²	144	115.5 Å²	115.5	67%	0.673	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-33	-169.7	-65.6	-155.9	116.7	0	0	114.3	S167 K387	E165-S167 PolarHBondContact O-N 3.16Å; E165-K387 PolarHBondContact O-NZ 3.38Å
166	N	34.5	Very low	39.4	Very low	157 Å²	157	107.6 Å²	107.6	84%	0.84	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	21.9	179.6	-82.3	-59.9	0	0	0	114.1	S164	S164-N166 PolarHBondContact O-N 3.42Å
167	S	30.7	Very low	42	Very low	50 Å²	50	102.7 Å²	102.7	35%	0.35	57%	0.568	S	S	.	*			trans	-82.4	114.3	175.7	45.7	0	0	0	0	111.4	S164 E165 K169 K387	S164-S167 WeakPolarHBondContact O-CB 3.39Å; S164-S167 PolarHBondContact O-N 2.85Å; S164-S167 PolarHBondContact O-OG 2.82Å; E165-S167 PolarHBondContact O-N 3.16Å; S167-K169 PolarHBondContact O-N 2.96Å; S167-K387 WeakPolarHBondContact O-CE 3.49Å
168	L	37.5	Very low	44.9	Very low	106 Å²	106	98.8 Å²	98.8	56%	0.555	54%	0.539	S	S	*	.			trans	-62.8	117.4	174.3	-67.7	171.7	0	0	0	110.1	H138	H138-L168 PolarHBondContact N-O 3.34Å
169	K	37.6	Very low	47.7	Very low	73 Å²	73	91.4 Å²	91.4	32%	0.317	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	107.8	170.7	-81.8	-177.7	170	-174.3	0	108.2	V135 V137 S167 L171 K387	V135-K169 HydrophobicContact CG1-CB 4.14Å; V135-K169 HydrophobicContact CG1-CD 3.54Å; V135-K169 HydrophobicContact CG1-CG 3.72Å; V137-K169 HydrophobicContact CG2-CG 4.09Å; S167-K169 PolarHBondContact O-N 2.96Å; K169-L171 PolarHBondContact O-N 3.44Å; K169-K387 HydrophobicContact CB-CD 4.41Å; K169-K387 HydrophobicContact CB-CG 4.37Å; K169-K387 HydrophobicContact CD-CD 4.29Å; K169-K387 HydrophobicContact CG-CD 4.42Å
170	L	43.6	Very low	50.8	Low	86 Å²	86	83 Å²	83	45%	0.45	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	102.5	167.7	-95.4	163.5	0	0	0	108.6	A136 S172	A136-L170 HydrophobicContact CB-CB 4.25Å; A136-L170 WeakPolarHBondContact CB-O 3.42Å; A136-L170 PolarHBondContact N-O 2.98Å; A136-L170 VanDerWaalsContact N-O 3.1Å; A136-L170 PolarHBondContact O-N 2.74Å; L170-S172 PolarHBondContact O-N 3.08Å
171	L	45.4	Very low	53.8	Low	10 Å²	10	84.4 Å²	84.4	5%	0.052	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	105	163	-69.7	175	0	0	0	107.7	V135 K169 Y388 I395 L402	V135-L171 HydrophobicContact CG2-CD2 3.96Å; K169-L171 PolarHBondContact O-N 3.44Å; L171-Y388 HydrophobicContact CD1-CD1 4.13Å; L171-Y388 HydrophobicContact CD1-CE1 3.93Å; L171-I395 HydrophobicContact CB-CD1 4.05Å; L171-I395 WeakPolarHBondContact O-CD1 3.41Å; L171-L402 HydrophobicContact CD1-CD1 4.22Å; L171-L402 HydrophobicContact CD1-CD2 4Å; L171-L402 HydrophobicContact CD1-CG 4.03Å
172	S	45.2	Very low	56.6	Low	58 Å²	58	83.1 Å²	83.1	41%	0.406	45%	0.45	S	S	.	.			trans	-145.7	108	176.3	-177.2	0	0	0	0	109	L170	L170-S172 PolarHBondContact O-N 3.08Å
173	S	48.4	Very low	59.7	Low	37 Å²	37	78.7 Å²	78.7	26%	0.259	43%	0.425	S	S	.	.			trans	-63.6	145.5	164.7	150.6	0	0	0	0	109.5	H175	S173-H175 PolarHBondContact O-N 2.94Å; S173-H175 PolarHBondContact OG-N 2.94Å
174	K	54.1	Low	62.4	Low	135 Å²	135	77.4 Å²	77.4	59%	0.587	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-21	-178.9	-59.4	174.2	-159.3	125.8	0	112.6	D132	D132-K174 IonicContact OD2-NZ 2.68Å; D132-K174 PolarHBondContact OD2-NZ 2.99Å
175	H	65.2	Low	64.9	Low	169 Å²	169	78.3 Å²	78.3	78%	0.782	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.7	54.7	-173.7	-71	-83.9	0	0	0	112.4	S173 V177	S173-H175 PolarHBondContact O-N 2.94Å; S173-H175 PolarHBondContact OG-N 2.94Å; H175-V177 PolarHBondContact O-N 2.77Å; H175-V177 VanDerWaalsContact O-N 3.11Å
176	I	80	Confident	67.4	Low	31 Å²	31	76 Å²	76	16%	0.159	42%	0.424	C	S	.	.			trans	-66.9	107.9	166.1	-59.9	167.1	0	0	0	108.6	D392 R394 I395	I176-D392 HydrophobicContact CD1-CB 4.1Å; I176-D392 WeakPolarHBondContact CD1-OD2 3.22Å; I176-R394 HydrophobicContact CG2-CB 4.2Å; I176-I395 HydrophobicContact CD1-CD1 4.23Å; I176-I395 HydrophobicContact CD1-CG1 3.55Å; I176-I395 HydrophobicContact CG1-CG1 4.27Å
177	V	84.9	Confident	70.2	Confident	75 Å²	75	70.7 Å²	70.7	46%	0.455	40%	0.398	S	S	.	.			trans	-62.1	141.3	169.2	-179.4	0	0	0	0	108.8	H175 P179	H175-V177 PolarHBondContact O-N 2.77Å; H175-V177 VanDerWaalsContact O-N 3.11Å; V177-P179 WeakPolarHBondContact O-CD 3.11Å
178	R	89.2	Confident	73.1	Confident	43 Å²	43	72.2 Å²	72.2	16%	0.162	40%	0.402	C	S	.	.			trans	-72.4	121.1	-178.8	-81	176.7	57.7	-167	-11.9	110.4	Q180 T181 E489 D490 E491	R178-Q180 VanDerWaalsContact NE-NE2 3.19Å; R178-Q180 PolarHBondContact O-N 2.92Å; R178-Q180 VanDerWaalsContact O-N 3.1Å; R178-T181 HydrophobicContact CB-CG2 4.35Å; R178-T181 PolarHBondContact O-N 2.85Å; R178-T181 VanDerWaalsContact O-N 3.13Å; R178-T181 PolarHBondContact O-OG1 2.95Å; R178-E489 VanDerWaalsContact CZ-O 3.24Å; R178-E489 PolarHBondContact NH1-O 3.48Å; R178-E489 PolarHBondContact NH2-O 3.49Å; R178-D490 IonicContact CZ-OD2 3.28Å; R178-D490 PolarHBondContact NH1-O 3.17Å; R178-D490 VanDerWaalsContact NH2-CB 3.26Å; R178-D490 PolarHBondContact NH2-O 2.92Å; R178-D490 IonicContact NH2-OD2 3.98Å; R178-D490 PolarHBondContact NH2-OD2 3.34Å; R178-E491 WeakPolarHBondContact CD-OE1 3.3Å; R178-E491 IonicContact CZ-OE1 2.92Å; R178-E491 IonicContact NE-OE1 2.74Å; R178-E491 VanDerWaalsContact NH1-CD 3.34Å; R178-E491 IonicContact NH1-OE1 3.23Å; R178-E491 PolarHBondContact NH1-OE1 2.79Å
179	P	91.1	Very high	75.7	Confident	16 Å²	16	67.6 Å²	67.6	10%	0.104	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-59.6	-23.9	177.1	25.4	-36	0	0	0	112.6	V177 T181 S182 F183 L312 R394	V177-P179 WeakPolarHBondContact O-CD 3.11Å; P179-T181 PolarHBondContact O-N 3.25Å; P179-T181 VanDerWaalsContact O-N 3.16Å; P179-S182 PolarHBondContact O-N 2.9Å; P179-S182 PolarHBondContact O-OG 2.81Å; P179-F183 HydrophobicContact CB-CE1 4.22Å; P179-F183 HydrophobicContact CB-CZ 4Å; P179-F183 WeakPolarHBondContact O-CD1 3.31Å; P179-F183 VanDerWaalsContact O-CE1 3.29Å; P179-F183 WeakPolarHBondContact O-CE1 3.39Å; P179-L312 HydrophobicContact CB-CB 4.26Å; P179-L312 HydrophobicContact CB-CD1 4.02Å; P179-L312 HydrophobicContact CB-CD2 4.05Å; P179-L312 HydrophobicContact CB-CG 4.34Å; P179-L312 HydrophobicContact CG-CD1 3.96Å; P179-L312 HydrophobicContact CG-CD2 3.9Å; P179-L312 HydrophobicContact CG-CG 4.47Å; P179-R394 HydrophobicContact CG-CG 4.38Å
180	Q	91.5	Very high	78.3	Confident	13 Å²	13	66.4 Å²	66.4	6%	0.061	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-63	-18.8	177.8	-48.2	101.9	-78.5	0	0	114.5	R178 S182 F183 P187 R289 I294 D490	R178-Q180 VanDerWaalsContact NE-NE2 3.19Å; R178-Q180 PolarHBondContact O-N 2.92Å; R178-Q180 VanDerWaalsContact O-N 3.1Å; Q180-S182 PolarHBondContact O-N 3.1Å; Q180-F183 HydrophobicContact CB-CD2 4.28Å; Q180-F183 HydrophobicContact CB-CE2 4.06Å; Q180-F183 HydrophobicContact CG-CE2 3.89Å; Q180-P187 HydrophobicContact CB-CG 4.22Å; Q180-P187 HydrophobicContact CG-CG 4.32Å; Q180-R289 PolarHBondContact NE2-O 2.76Å; Q180-I294 HydrophobicContact CG-CD1 4.32Å; Q180-D490 WeakPolarHBondContact CG-OD2 3.43Å; Q180-D490 PolarHBondContact NE2-OD2 3.07Å
181	T	89.5	Confident	80.4	Confident	108 Å²	108	69.1 Å²	69.1	66%	0.663	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-82.1	-0.7	175.2	66	0	0	0	0	113.5	R178 P179	R178-T181 HydrophobicContact CB-CG2 4.35Å; R178-T181 PolarHBondContact O-N 2.85Å; R178-T181 VanDerWaalsContact O-N 3.13Å; R178-T181 PolarHBondContact O-OG1 2.95Å; P179-T181 PolarHBondContact O-N 3.25Å; P179-T181 VanDerWaalsContact O-N 3.16Å
182	S	88.9	Confident	82.4	Confident	94 Å²	94	71.5 Å²	71.5	66%	0.657	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-117.4	6.1	179.5	35.3	0	0	0	0	113.9	P179 Q180	P179-S182 PolarHBondContact O-N 2.9Å; P179-S182 PolarHBondContact O-OG 2.81Å; Q180-S182 PolarHBondContact O-N 3.1Å
183	F	92.4	Very high	84.4	Confident	26 Å²	26	71.5 Å²	71.5	11%	0.114	40%	0.402	C	S	.	.			trans	-83.7	141.6	176.5	-57.4	-26.8	0	0	0	111.8	P179 Q180 T185 I294 L312 R315	P179-F183 HydrophobicContact CB-CE1 4.22Å; P179-F183 HydrophobicContact CB-CZ 4Å; P179-F183 WeakPolarHBondContact O-CD1 3.31Å; P179-F183 VanDerWaalsContact O-CE1 3.29Å; P179-F183 WeakPolarHBondContact O-CE1 3.39Å; Q180-F183 HydrophobicContact CB-CD2 4.28Å; Q180-F183 HydrophobicContact CB-CE2 4.06Å; Q180-F183 HydrophobicContact CG-CE2 3.89Å; F183-T185 WeakPolarHBondContact CB-O 3.49Å; F183-T185 PolarHBondContact O-N 3.47Å; F183-I294 HydrophobicContact CE2-CD1 3.45Å; F183-I294 VanDerWaalsContact CE2-CD1 3.45Å; F183-I294 HydrophobicContact CZ-CD1 3.41Å; F183-I294 VanDerWaalsContact CZ-CD1 3.41Å; F183-L312 WeakPolarHBondContact CE1-O 3.26Å; F183-L312 HydrophobicContact CZ-CD2 4.32Å; F183-R315 HydrophobicContact CD1-CB 4.47Å; F183-R315 VanDerWaalsContact CD2-CD 3.48Å; F183-R315 HydrophobicContact CE1-CB 4.42Å; F183-R315 VanDerWaalsContact CE2-CD 3.41Å
184	T	89.8	Confident	86.4	Confident	122 Å²	122	71.2 Å²	71.2	75%	0.748	40%	0.396	S	S	*	.	S	Bend	trans	-61.5	-36.6	175.8	-37.5	0	0	0	0	111.6	D316	T184-D316 WeakPolarHBondContact CB-OD2 3.2Å; T184-D316 PolarHBondContact OG1-OD2 2.89Å
185	T	87.5	Confident	88.1	Confident	91 Å²	91	68.7 Å²	68.7	56%	0.558	38%	0.383	S	S	*	.	S	Bend	trans	-112.4	118.7	174.7	-46.5	0	0	0	0	109.5	F183	F183-T185 WeakPolarHBondContact CB-O 3.49Å; F183-T185 PolarHBondContact O-N 3.47Å
186	P	89.4	Confident	89.3	Confident	97 Å²	97	61.3 Å²	61.3	63%	0.63	35%	0.35	S	S	*	.			trans	-68.2	153.9	177.5	28.4	-34.6	0	0	0	111.8	D188	P186-D188 PolarHBondContact O-N 3.24Å
187	P	91.2	Very high	89.9	Confident	44 Å²	44	64.2 Å²	64.2	29%	0.286	36%	0.361	S	S	.	.			trans	-64.2	122.3	176.8	-21.3	33.4	0	0	0	112.9	Q180 N189	Q180-P187 HydrophobicContact CB-CG 4.22Å; Q180-P187 HydrophobicContact CG-CG 4.32Å; P187-N189 PolarHBondContact O-N 2.74Å
188	D	92.3	Very high	90.1	Very high	82 Å²	82	61.1 Å²	61.1	44%	0.439	34%	0.342	S	S	.	.			trans	-80.1	101.7	171.2	171.6	32.1	0	0	0	111.5	P186 S190 K447	P186-D188 PolarHBondContact O-N 3.24Å; D188-S190 WeakPolarHBondContact OD1-CB 3.2Å; D188-S190 PolarHBondContact OD1-N 3.43Å; D188-S190 PolarHBondContact OD1-OG 3.02Å; D188-S190 PolarHBondContact OD2-OG 3.32Å; D188-K447 WeakPolarHBondContact OD2-CE 3.26Å; D188-K447 IonicContact OD2-NZ 3.94Å; D188-K447 PolarHBondContact OD2-NZ 2.59Å
189	N	92.5	Very high	90	Very high	10 Å²	10	68 Å²	68	5%	0.053	37%	0.373	C	S	.	.			trans	-98.5	10.7	176	-65.5	-26.8	0	0	0	113.5	P187 F291 L292 R487 D490	P187-N189 PolarHBondContact O-N 2.74Å; N189-F291 HydrophobicContact CB-CD1 3.87Å; N189-F291 HydrophobicContact CB-CG 4.46Å; N189-L292 WeakPolarHBondContact OD1-CG 3.18Å; N189-R487 HydrophobicContact CB-CB 3.95Å; N189-R487 HydrophobicContact CB-CG 4.24Å; N189-R487 WeakPolarHBondContact CB-O 3.45Å; N189-R487 PolarHBondContact ND2-O 2.79Å; N189-R487 VanDerWaalsContact O-CD 3.27Å; N189-R487 WeakPolarHBondContact O-CD 3.28Å; N189-R487 WeakPolarHBondContact O-CG 3.46Å; N189-R487 PolarHBondContact O-NH1 2.88Å; N189-D490 WeakPolarHBondContact ND2-CA 3.19Å; N189-D490 WeakPolarHBondContact ND2-CB 3.35Å; N189-D490 PolarHBondContact ND2-OD1 3.18Å
190	S	91.5	Very high	89.9	Confident	48 Å²	48	71.2 Å²	71.2	34%	0.336	40%	0.396	S	S	.	.	S	Bend	trans	-62.6	167.1	-179.1	68.1	0	0	0	0	112.8	D188 S192 R487	D188-S190 WeakPolarHBondContact OD1-CB 3.2Å; D188-S190 PolarHBondContact OD1-N 3.43Å; D188-S190 PolarHBondContact OD1-OG 3.02Å; D188-S190 PolarHBondContact OD2-OG 3.32Å; S190-S192 PolarHBondContact O-N 3.37Å; S190-S192 PolarHBondContact OG-OG 2.69Å; S190-R487 PolarHBondContact O-NH1 3.25Å
191	Y	88.8	Confident	90	Very high	142 Å²	142	71.4 Å²	71.4	56%	0.557	40%	0.397	S	S	*	.	S	Bend	trans	-76.9	-0.7	177.1	-56.2	-78.7	0	0	0	113.9	F450	Y191-F450 HydrophobicContact CD1-CB 4.25Å; Y191-F450 HydrophobicContact CE1-CB 3.75Å; Y191-F450 HydrophobicContact CE1-CG 4.4Å
192	S	87.6	Confident	90.1	Very high	61 Å²	61	67.6 Å²	67.6	43%	0.427	37%	0.374	S	S	.	.	S	Bend	trans	-64.6	158.6	174.1	64.2	0	0	0	0	111.5	S190 K447	S190-S192 PolarHBondContact O-N 3.37Å; S190-S192 PolarHBondContact OG-OG 2.69Å; S192-K447 WeakPolarHBondContact O-CD 3.42Å; S192-K447 PolarHBondContact O-NZ 3.24Å; S192-K447 PolarHBondContact OG-NZ 3.3Å
193	S	87.1	Confident	90.3	Very high	58 Å²	58	66 Å²	66	41%	0.406	36%	0.358	S	S	.	.			trans	-57.6	164.8	172.3	-66.6	0	0	0	0	112.8	R195 T220 K447	S193-R195 PolarHBondContact O-N 2.92Å; S193-T220 WeakPolarHBondContact CB-O 3.39Å; S193-T220 PolarHBondContact OG-O 2.67Å; S193-K447 PolarHBondContact O-NZ 3.11Å
194	F	90.8	Very high	90.2	Very high	30 Å²	30	67.8 Å²	67.8	13%	0.132	37%	0.373	C	S	.	.			trans	-81.2	115.4	171.5	177.9	-106.8	0	0	0	110.1	Y222 Q345 Y445 K447	F194-Y222 WeakPolarHBondContact O-CD2 3.39Å; F194-Q345 WeakPolarHBondContact CZ-O 3.4Å; F194-Y445 HydrophobicContact CB-CD1 4.23Å; F194-Y445 AromaticContact CD1-CD1 3.85Å; F194-Y445 HydrophobicContact CD1-CD1 3.85Å; F194-Y445 VanDerWaalsContact CD1-O 3.26Å; F194-Y445 WeakPolarHBondContact CD1-O 3.38Å; F194-Y445 AromaticContact CD2-CD1 3.66Å; F194-Y445 HydrophobicContact CD2-CD1 3.66Å; F194-Y445 AromaticContact CD2-CE1 3.87Å; F194-Y445 HydrophobicContact CD2-CE1 3.87Å; F194-Y445 HydrophobicContact CE1-CD1 4.09Å; F194-Y445 AromaticContact CE2-CD1 3.91Å; F194-Y445 HydrophobicContact CE2-CD1 3.91Å; F194-Y445 HydrophobicContact CE2-CE1 4.29Å; F194-Y445 AromaticContact CG-CD1 3.62Å; F194-Y445 HydrophobicContact CG-CD1 3.62Å; F194-Y445 HydrophobicContact CG-CE1 4.14Å; F194-Y445 HydrophobicContact CZ-CD1 4.13Å; F194-K447 HydrophobicContact CB-CD 4.46Å; F194-K447 HydrophobicContact CB-CG 4.28Å
195	R	89.6	Confident	90.2	Very high	82 Å²	82	67.2 Å²	67.2	31%	0.309	36%	0.364	S	S	.	.			trans	-87.6	126.4	168.8	-177.7	170.7	166.6	-149.1	-4.1	109.6	S193 K197 L212 D215 Y222	S193-R195 PolarHBondContact O-N 2.92Å; R195-K197 PolarHBondContact O-N 2.88Å; R195-L212 PolarHBondContact NH2-O 3.43Å; R195-D215 IonicContact CZ-OD1 2.7Å; R195-D215 IonicContact NH1-OD1 2.74Å; R195-D215 PolarHBondContact NH1-OD1 2.92Å; R195-D215 IonicContact NH2-OD1 3.42Å; R195-D215 PolarHBondContact NH2-OD1 3.07Å; R195-Y222 HydrophobicContact CB-CD2 4.48Å; R195-Y222 HydrophobicContact CB-CE2 4.01Å; R195-Y222 HydrophobicContact CG-CE1 4.12Å; R195-Y222 HydrophobicContact CG-CE2 4.32Å
196	P	90.6	Very high	90.2	Very high	15 Å²	15	67.5 Å²	67.5	10%	0.097	36%	0.359	C	S	.	.			trans	-53.5	133.6	175.4	-30.1	36.8	0	0	0	113.4	I198 L212 P225	P196-I198 VanDerWaalsContact C-N 3.33Å; P196-I198 HydrophobicContact CB-CG2 4.15Å; P196-I198 PolarHBondContact O-N 3.28Å; P196-L212 HydrophobicContact CB-CD2 4.08Å; P196-L212 HydrophobicContact CG-CD2 3.86Å; P196-P225 HydrophobicContact CB-CG 4.13Å; P196-P225 HydrophobicContact CG-CG 4.35Å
197	K	90.9	Very high	90.1	Very high	91 Å²	91	67.5 Å²	67.5	40%	0.396	36%	0.359	S	S	.	.			trans	-82.3	-2.4	-178.4	-74.5	177	167.7	173	0	115.3	R195 K199 R346 D347	R195-K197 PolarHBondContact O-N 2.88Å; K197-K199 PolarHBondContact O-N 3.16Å; K197-R346 WeakPolarHBondContact CD-O 3.44Å; K197-R346 VanDerWaalsContact CE-O 3.26Å; K197-R346 WeakPolarHBondContact CE-O 3.46Å; K197-R346 PolarHBondContact NZ-O 3.46Å; K197-D347 WeakPolarHBondContact CD-O 3.37Å; K197-D347 PolarHBondContact NZ-O 2.8Å
198	I	90.3	Very high	89.7	Confident	10 Å²	10	67.5 Å²	67.5	5%	0.051	36%	0.357	C	S	.	.			trans	-68.7	123.6	-172.1	-175.8	168.7	0	0	0	111.6	P196 S200 K201 L208 P225 Y226 Y351	P196-I198 VanDerWaalsContact C-N 3.33Å; P196-I198 HydrophobicContact CB-CG2 4.15Å; P196-I198 PolarHBondContact O-N 3.28Å; I198-S200 WeakPolarHBondContact CD1-O 3.44Å; I198-S200 WeakPolarHBondContact CG1-O 3.31Å; I198-K201 HydrophobicContact CD1-CB 4.39Å; I198-K201 HydrophobicContact CD1-CG 4.38Å; I198-L208 HydrophobicContact CG2-CD1 3.91Å; I198-P225 HydrophobicContact CD1-CB 4.49Å; I198-P225 HydrophobicContact CG2-CB 4.12Å; I198-P225 HydrophobicContact CG2-CG 3.87Å; I198-Y226 HydrophobicContact CD1-CD2 4.44Å; I198-Y226 HydrophobicContact CD1-CE2 3.57Å; I198-Y351 HydrophobicContact CB-CE2 4.12Å; I198-Y351 HydrophobicContact CD1-CD2 4.07Å; I198-Y351 HydrophobicContact CD1-CE2 4.19Å; I198-Y351 HydrophobicContact CG2-CE2 4.23Å
199	K	86.5	Confident	88.8	Confident	188 Å²	188	65.7 Å²	65.7	82%	0.817	35%	0.349	S	S	*	.	S	Bend	trans	-102	-25.2	179.2	-61.7	179.8	-177.1	174.4	0	113.6	K197	K197-K199 PolarHBondContact O-N 3.16Å
200	S	89.1	Confident	87.5	Confident	83 Å²	83	72.2 Å²	72.2	58%	0.58	38%	0.379	S	S	*	.			trans	-137.6	141.5	179.1	-179.3	0	0	0	0	109	I198 P202	I198-S200 WeakPolarHBondContact CD1-O 3.44Å; I198-S200 WeakPolarHBondContact CG1-O 3.31Å; S200-P202 VanDerWaalsContact O-CD 3.31Å; S200-P202 WeakPolarHBondContact O-CD 3.48Å
201	K	93.1	Very high	86.1	Confident	17 Å²	17	73.9 Å²	73.9	7%	0.074	38%	0.384	C	S	.	.			trans	-118.1	77.1	-176.9	-164.7	-169.7	166.6	179.6	0	110.5	I198 C204 Q206 L208 P225 Y226 E229	I198-K201 HydrophobicContact CD1-CB 4.39Å; I198-K201 HydrophobicContact CD1-CG 4.38Å; K201-C204 HydrophobicContact CB-CB 4.41Å; K201-C204 HydrophobicContact CD-CB 3.66Å; K201-C204 HydrophobicContact CG-CB 3.86Å; K201-C204 WeakPolarHBondContact O-CB 3.22Å; K201-C204 PolarHBondContact O-SG 3.01Å; K201-Q206 WeakPolarHBondContact CD-O 3.32Å; K201-Q206 WeakPolarHBondContact CE-O 3.44Å; K201-Q206 PolarHBondContact NZ-O 3.33Å; K201-L208 HydrophobicContact CB-CB 4.31Å; K201-L208 HydrophobicContact CB-CD1 4.44Å; K201-L208 HydrophobicContact CD-CD1 4.4Å; K201-P225 WeakPolarHBondContact CE-O 3.35Å; K201-P225 PolarHBondContact NZ-O 3.33Å; K201-Y226 WeakPolarHBondContact CA-OH 3.25Å; K201-Y226 HydrophobicContact CD-CE1 4.27Å; K201-Y226 HydrophobicContact CG-CD1 4.41Å; K201-Y226 HydrophobicContact CG-CE1 3.65Å; K201-Y226 HydrophobicContact CG-CE2 3.91Å; K201-Y226 WeakPolarHBondContact CG-OH 3.45Å; K201-E229 VanDerWaalsContact CE-OE1 3.28Å; K201-E229 WeakPolarHBondContact CE-OE1 3.12Å; K201-E229 WeakPolarHBondContact CE-OE2 3.35Å; K201-E229 IonicContact NZ-OE1 3.62Å; K201-E229 PolarHBondContact NZ-OE1 3.42Å; K201-E229 IonicContact NZ-OE2 2.73Å; K201-E229 PolarHBondContact NZ-OE2 3.19Å
202	P	93.2	Very high	85	Confident	29 Å²	29	67.7 Å²	67.7	19%	0.188	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	161	171.7	29	-36.2	0	0	0	110.9	S200 C204 Y226 N322 E323 T326	S200-P202 VanDerWaalsContact O-CD 3.31Å; S200-P202 WeakPolarHBondContact O-CD 3.48Å; P202-C204 PolarHBondContact O-N 3.09Å; P202-C204 VanDerWaalsContact O-N 3.13Å; P202-Y226 WeakPolarHBondContact CD-OH 3.32Å; P202-Y226 VanDerWaalsContact O-CE1 3.31Å; P202-Y226 WeakPolarHBondContact O-CE1 3.48Å; P202-Y226 PolarHBondContact O-OH 2.8Å; P202-N322 HydrophobicContact CG-CB 3.63Å; P202-E323 HydrophobicContact CB-CG 3.99Å; P202-E323 HydrophobicContact CG-CG 4.01Å; P202-T326 PolarHBondContact O-OG1 3.34Å
203	N	92.5	Very high	83.6	Confident	61 Å²	61	68.6 Å²	68.6	33%	0.326	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	23.6	-179.6	-49.8	-61.3	0	0	0	115	E323 T326 D327	N203-E323 PolarHBondContact ND2-O 2.88Å; N203-T326 WeakPolarHBondContact CB-O 3.35Å; N203-T326 PolarHBondContact ND2-OG1 2.92Å; N203-D327 PolarHBondContact ND2-N 3.3Å; N203-D327 VanDerWaalsContact ND2-N 3.15Å
204	C	90.5	Very high	82	Confident	63 Å²	63	70.5 Å²	70.5	43%	0.426	37%	0.373	S	S	.	.			trans	-75.7	145.9	-177	69.6	0	0	0	0	113.8	K201 P202 Q206 E229	K201-C204 HydrophobicContact CB-CB 4.41Å; K201-C204 HydrophobicContact CD-CB 3.66Å; K201-C204 HydrophobicContact CG-CB 3.86Å; K201-C204 WeakPolarHBondContact O-CB 3.22Å; K201-C204 PolarHBondContact O-SG 3.01Å; P202-C204 PolarHBondContact O-N 3.09Å; P202-C204 VanDerWaalsContact O-N 3.13Å; C204-Q206 WeakPolarHBondContact CB-O 3.3Å; C204-E229 WeakPolarHBondContact CA-OE1 3.31Å
205	I	89.8	Confident	80.2	Confident	109 Å²	109	75 Å²	75	56%	0.559	40%	0.398	S	S	*	.	S	Bend	trans	-98.5	-39.8	163.4	-61.4	174.8	0	0	0	108.7	E229 T232	I205-E229 HydrophobicContact CB-CG 4.23Å; I205-E229 HydrophobicContact CD1-CG 4.31Å; I205-E229 HydrophobicContact CG1-CG 4.09Å; I205-E229 PolarHBondContact N-OE1 3.42Å; I205-T232 HydrophobicContact CD1-CG2 3.81Å
206	Q	86.9	Confident	78.4	Confident	97 Å²	97	78.9 Å²	78.9	45%	0.453	43%	0.425	S	S	.	.	S	Bend	trans	-109.6	131.9	172	-171.1	-174.7	10.8	0	0	110.1	K201 C204 V228 E229	K201-Q206 WeakPolarHBondContact CD-O 3.32Å; K201-Q206 WeakPolarHBondContact CE-O 3.44Å; K201-Q206 PolarHBondContact NZ-O 3.33Å; C204-Q206 WeakPolarHBondContact CB-O 3.3Å; Q206-V228 VanDerWaalsContact OE1-CG2 3.31Å; Q206-E229 PolarHBondContact N-OE1 3.2Å
207	P	86.8	Confident	76.4	Confident	97 Å²	97	79.6 Å²	79.6	63%	0.63	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-59.1	161	174.5	26.2	-35.2	0	0	0	112.1
208	L	83	Confident	74.7	Confident	45 Å²	45	84.8 Å²	84.8	24%	0.236	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-63.9	128.7	178.9	-168	69.7	0	0	0	110.2	I198 K201 L212 P225	I198-L208 HydrophobicContact CG2-CD1 3.91Å; K201-L208 HydrophobicContact CB-CB 4.31Å; K201-L208 HydrophobicContact CB-CD1 4.44Å; K201-L208 HydrophobicContact CD-CD1 4.4Å; L208-L212 HydrophobicContact CD1-CD1 3.7Å; L208-L212 HydrophobicContact CD2-CB 4.49Å; L208-L212 HydrophobicContact CG-CB 4.43Å; L208-L212 HydrophobicContact CG-CD1 4.16Å; L208-P225 HydrophobicContact CD1-CB 4.19Å
209	P	73.4	Confident	73.2	Confident	43 Å²	43	86.2 Å²	86.2	28%	0.279	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-60.9	137.7	-179.3	-26.2	35	0	0	0	113.4	L211 L212	P209-L211 PolarHBondContact O-N 2.68Å; P209-L211 VanDerWaalsContact O-N 3.07Å; P209-L212 WeakPolarHBondContact O-CB 3.44Å; P209-L212 PolarHBondContact O-N 2.8Å
210	E	66.1	Low	71.9	Confident	147 Å²	147	81.8 Å²	81.8	69%	0.687	46%	0.46	S	S	*	.	H	α-helix	trans	-59.8	-23.3	-178.3	-62.8	-174.4	162.4	0	0	113.9	L212 S213 N214	E210-L212 PolarHBondContact O-N 2.91Å; E210-S213 WeakPolarHBondContact CA-OG 3.31Å; E210-S213 PolarHBondContact O-N 3.29Å; E210-S213 VanDerWaalsContact O-N 3.1Å; E210-S213 PolarHBondContact O-OG 2.93Å; E210-N214 PolarHBondContact O-N 3.08Å; E210-N214 VanDerWaalsContact O-N 3.07Å
211	L	62.5	Low	71	Confident	83 Å²	83	83.7 Å²	83.7	44%	0.435	46%	0.464	S	S	.	.	H	α-helix	trans	-60.2	-21.5	173	-161.2	75.1	0	0	0	112.9	P209	P209-L211 PolarHBondContact O-N 2.68Å; P209-L211 VanDerWaalsContact O-N 3.07Å
212	L	65.4	Low	70.5	Confident	13 Å²	13	84.7 Å²	84.7	7%	0.068	47%	0.468	C	S	.	.	H	α-helix	trans	-89.8	-27.1	175	-65.2	175.5	0	0	0	112.7	R195 P196 L208 P209 E210 Y222 P225	R195-L212 PolarHBondContact NH2-O 3.43Å; P196-L212 HydrophobicContact CB-CD2 4.08Å; P196-L212 HydrophobicContact CG-CD2 3.86Å; L208-L212 HydrophobicContact CD1-CD1 3.7Å; L208-L212 HydrophobicContact CD2-CB 4.49Å; L208-L212 HydrophobicContact CG-CB 4.43Å; L208-L212 HydrophobicContact CG-CD1 4.16Å; P209-L212 WeakPolarHBondContact O-CB 3.44Å; P209-L212 PolarHBondContact O-N 2.8Å; E210-L212 PolarHBondContact O-N 2.91Å; L212-Y222 HydrophobicContact CD2-CD1 3.53Å; L212-Y222 HydrophobicContact CD2-CE1 4.11Å; L212-Y222 HydrophobicContact CD2-CG 4.32Å; L212-P225 HydrophobicContact CD1-CG 4.21Å
213	S	58.2	Low	70.2	Confident	80 Å²	80	86.8 Å²	86.8	56%	0.559	48%	0.481	S	S	*	.	H	α-helix	trans	-83.9	-24.5	178.4	51.6	0	0	0	0	114.1	E210	E210-S213 WeakPolarHBondContact CA-OG 3.31Å; E210-S213 PolarHBondContact O-N 3.29Å; E210-S213 VanDerWaalsContact O-N 3.1Å; E210-S213 PolarHBondContact O-OG 2.93Å
214	N	52.1	Low	70.2	Confident	98 Å²	98	84.6 Å²	84.6	52%	0.524	47%	0.469	S	S	.	.			trans	-92.1	116.8	178.8	-71.8	-31.8	0	0	0	111.5	E210 N216	E210-N214 PolarHBondContact O-N 3.08Å; E210-N214 VanDerWaalsContact O-N 3.07Å; N214-N216 PolarHBondContact O-N 3.19Å; N214-N216 VanDerWaalsContact O-N 3.12Å
215	D	54.9	Low	70.2	Confident	124 Å²	124	82 Å²	82	66%	0.663	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-8.1	-178.8	-77.4	-17.8	0	0	0	115.2	R195	R195-D215 IonicContact CZ-OD1 2.7Å; R195-D215 IonicContact NH1-OD1 2.74Å; R195-D215 PolarHBondContact NH1-OD1 2.92Å; R195-D215 IonicContact NH2-OD1 3.42Å; R195-D215 PolarHBondContact NH2-OD1 3.07Å
216	N	50.2	Low	70.4	Confident	163 Å²	163	76.8 Å²	76.8	87%	0.872	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	8.4	-165.9	-59.6	-24	0	0	0	114.9	N214	N214-N216 PolarHBondContact O-N 3.19Å; N214-N216 VanDerWaalsContact O-N 3.12Å
217	G	49.3	Very low	70.8	Confident	30 Å²	30	77.1 Å²	77.1	31%	0.309	42%	0.424	S	S	.	.			trans	-109	110.4	-174.1	0	0	0	0	0	114.1	S219 Y222	G217-S219 PolarHBondContact O-N 3.1Å; G217-Y222 PolarHBondContact O-OH 3.07Å
218	E	56.1	Low	71	Confident	201 Å²	201	74.8 Å²	74.8	94%	0.939	41%	0.408	S	S	*	.			trans	-77	58.5	171.4	-64.9	-162.6	137.2	0	0	112.5	T220	E218-T220 PolarHBondContact O-N 2.94Å
219	S	56.8	Low	71.5	Confident	40 Å²	40	73.1 Å²	73.1	28%	0.28	40%	0.399	S	S	.	.			trans	-68.9	126.2	170	-161	0	0	0	0	109.8	G217 D221 Y222	G217-S219 PolarHBondContact O-N 3.1Å; S219-D221 VanDerWaalsContact C-N 3.3Å; S219-D221 PolarHBondContact OG-O 2.99Å; S219-Y222 VanDerWaalsContact O-CE2 3.28Å; S219-Y222 WeakPolarHBondContact O-CE2 3.39Å
220	T	61.2	Low	72.5	Confident	94 Å²	94	71.1 Å²	71.1	58%	0.577	39%	0.386	S	S	*	.	S	Bend	trans	-66.2	-37.5	174.5	49.5	0	0	0	0	111.4	S193 E218	S193-T220 WeakPolarHBondContact CB-O 3.39Å; S193-T220 PolarHBondContact OG-O 2.67Å; E218-T220 PolarHBondContact O-N 2.94Å
221	D	70	Confident	73.7	Confident	123 Å²	123	67.7 Å²	67.7	66%	0.658	37%	0.37	S	S	*	.			trans	-124.6	129.1	-172.8	-59	-80.9	0	0	0	109.4	S219	S219-D221 VanDerWaalsContact C-N 3.3Å; S219-D221 PolarHBondContact OG-O 2.99Å
222	Y	82.1	Confident	75.1	Confident	39 Å²	39	66 Å²	66	15%	0.153	36%	0.363	C	S	.	.			trans	-111.2	125.9	176.6	-68.9	-85	0	0	0	109.1	F194 R195 L212 G217 S219	F194-Y222 WeakPolarHBondContact O-CD2 3.39Å; R195-Y222 HydrophobicContact CB-CD2 4.48Å; R195-Y222 HydrophobicContact CB-CE2 4.01Å; R195-Y222 HydrophobicContact CG-CE1 4.12Å; R195-Y222 HydrophobicContact CG-CE2 4.32Å; L212-Y222 HydrophobicContact CD2-CD1 3.53Å; L212-Y222 HydrophobicContact CD2-CE1 4.11Å; L212-Y222 HydrophobicContact CD2-CG 4.32Å; G217-Y222 PolarHBondContact O-OH 3.07Å; S219-Y222 VanDerWaalsContact O-CE2 3.28Å; S219-Y222 WeakPolarHBondContact O-CE2 3.39Å
223	P	86.4	Confident	76.2	Confident	73 Å²	73	66 Å²	66	47%	0.474	36%	0.363	S	S	.	.			trans	-68.6	150.3	-179.1	28.8	-35.1	0	0	0	111.6	P225	P223-P225 VanDerWaalsContact O-CD 3.3Å; P223-P225 WeakPolarHBondContact O-CD 3.19Å
224	H	91.7	Very high	77.4	Confident	15 Å²	15	63 Å²	63	7%	0.069	34%	0.344	C	S	.	.			trans	-58.4	117.7	177.3	-172.8	-96.7	0	0	0	111	Y226 K227 Y351 C441 C444	H224-Y226 PolarHBondContact ND1-N 2.99Å; H224-Y226 PolarHBondContact O-N 3Å; H224-K227 HydrophobicContact CB-CB 4.25Å; H224-K227 PolarHBondContact ND1-N 3.25Å; H224-K227 WeakPolarHBondContact O-CB 3.2Å; H224-K227 PolarHBondContact O-N 3.46Å; H224-Y351 AromaticContact CD2-CE1 3.85Å; H224-Y351 AromaticContact CE1-CD1 3.76Å; H224-Y351 AromaticContact NE2-CD1 3.2Å; H224-Y351 WeakPolarHBondContact NE2-CD1 3.21Å; H224-Y351 AromaticContact NE2-CE1 3.48Å; H224-Y351 WeakPolarHBondContact NE2-CE1 3.3Å; H224-C441 PolarHBondContact CE1-O 2.86Å; H224-C441 VanDerWaalsContact CE1-O 3.31Å; H224-C441 PolarHBondContact NE2-O 3.36Å; H224-C441 VanDerWaalsContact NE2-O 3.12Å; H224-C444 VanDerWaalsContact CB-SG 3.59Å
225	P	92.2	Very high	78.9	Confident	7 Å²	7	65 Å²	65	5%	0.045	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-26.2	-170.9	-30.3	37.6	0	0	0	115.4	P196 I198 K201 L208 L212 P223 Y351	P196-P225 HydrophobicContact CB-CG 4.13Å; P196-P225 HydrophobicContact CG-CG 4.35Å; I198-P225 HydrophobicContact CD1-CB 4.49Å; I198-P225 HydrophobicContact CG2-CB 4.12Å; I198-P225 HydrophobicContact CG2-CG 3.87Å; K201-P225 WeakPolarHBondContact CE-O 3.35Å; K201-P225 PolarHBondContact NZ-O 3.33Å; L208-P225 HydrophobicContact CD1-CB 4.19Å; L212-P225 HydrophobicContact CD1-CG 4.21Å; P223-P225 VanDerWaalsContact O-CD 3.3Å; P223-P225 WeakPolarHBondContact O-CD 3.19Å; P225-Y351 HydrophobicContact CB-CE2 4.43Å; P225-Y351 HydrophobicContact CG-CE1 4.23Å; P225-Y351 HydrophobicContact CG-CE2 4.04Å
226	Y	94.4	Very high	79.9	Confident	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	24.7	178.6	-75.1	-86.5	0	0	0	113.8	I198 K201 P202 H224 V228 E229 L230 T326 Y351 V353	I198-Y226 HydrophobicContact CD1-CD2 4.44Å; I198-Y226 HydrophobicContact CD1-CE2 3.57Å; K201-Y226 WeakPolarHBondContact CA-OH 3.25Å; K201-Y226 HydrophobicContact CD-CE1 4.27Å; K201-Y226 HydrophobicContact CG-CD1 4.41Å; K201-Y226 HydrophobicContact CG-CE1 3.65Å; K201-Y226 HydrophobicContact CG-CE2 3.91Å; K201-Y226 WeakPolarHBondContact CG-OH 3.45Å; P202-Y226 WeakPolarHBondContact CD-OH 3.32Å; P202-Y226 VanDerWaalsContact O-CE1 3.31Å; P202-Y226 WeakPolarHBondContact O-CE1 3.48Å; P202-Y226 PolarHBondContact O-OH 2.8Å; H224-Y226 PolarHBondContact ND1-N 2.99Å; H224-Y226 PolarHBondContact O-N 3Å; Y226-V228 PolarHBondContact O-N 2.92Å; Y226-E229 VanDerWaalsContact CA-OE2 3.28Å; Y226-E229 WeakPolarHBondContact CA-OE2 3.49Å; Y226-E229 HydrophobicContact CD1-CB 4.13Å; Y226-E229 HydrophobicContact CD1-CG 3.96Å; Y226-E229 PolarHBondContact O-N 3.37Å; Y226-L230 WeakPolarHBondContact O-CB 3.37Å; Y226-L230 WeakPolarHBondContact O-CG 3.26Å; Y226-L230 PolarHBondContact O-N 3.05Å; Y226-T326 HydrophobicContact CD1-CG2 4.25Å; Y226-T326 HydrophobicContact CD2-CG2 4.18Å; Y226-T326 HydrophobicContact CE1-CG2 3.81Å; Y226-T326 HydrophobicContact CE2-CG2 3.71Å; Y226-T326 HydrophobicContact CG-CG2 4.42Å; Y226-T326 PolarHBondContact OH-OG1 3.35Å; Y226-Y351 HydrophobicContact CD2-CD1 4.47Å; Y226-Y351 AromaticContact CD2-CD2 3.94Å; Y226-Y351 HydrophobicContact CD2-CD2 3.94Å; Y226-Y351 AromaticContact CD2-CG 3.72Å; Y226-Y351 HydrophobicContact CD2-CG 3.72Å; Y226-Y351 HydrophobicContact CE2-CD2 4.03Å; Y226-Y351 HydrophobicContact CE2-CG 4.19Å; Y226-V353 HydrophobicContact CD1-CG2 4.32Å
227	K	93.3	Very high	80.8	Confident	105 Å²	105	59.7 Å²	59.7	46%	0.457	33%	0.327	S	S	.	.	H	α-helix	trans	-55.3	-53.3	-178.2	-177.3	176.2	172.2	-179.9	0	112.3	H224 E229 L230 E231 L442	H224-K227 HydrophobicContact CB-CB 4.25Å; H224-K227 PolarHBondContact ND1-N 3.25Å; H224-K227 WeakPolarHBondContact O-CB 3.2Å; H224-K227 PolarHBondContact O-N 3.46Å; K227-E229 VanDerWaalsContact C-N 3.33Å; K227-E229 PolarHBondContact O-N 3.26Å; K227-L230 PolarHBondContact O-N 3.3Å; K227-E231 VanDerWaalsContact CE-CD 3.48Å; K227-E231 WeakPolarHBondContact CE-OE1 3.47Å; K227-E231 HydrophobicContact CG-CG 4.46Å; K227-E231 IonicContact NZ-OE1 3.7Å; K227-E231 WeakPolarHBondContact O-CG 3.25Å; K227-E231 PolarHBondContact O-N 3.1Å; K227-L442 HydrophobicContact CG-CD2 4.28Å
228	V	92.5	Very high	81.4	Confident	47 Å²	47	60.6 Å²	60.6	29%	0.285	33%	0.327	S	S	.	.	H	α-helix	trans	-65.9	-36	-176.3	175.4	0	0	0	0	111.8	Q206 Y226 E231 T232	Q206-V228 VanDerWaalsContact OE1-CG2 3.31Å; Y226-V228 PolarHBondContact O-N 2.92Å; V228-E231 PolarHBondContact O-N 3.21Å; V228-T232 VanDerWaalsContact O-CB 3.29Å; V228-T232 WeakPolarHBondContact O-CB 3.28Å; V228-T232 PolarHBondContact O-N 3Å; V228-T232 PolarHBondContact O-OG1 3.31Å
229	E	93.7	Very high	81.2	Confident	10 Å²	10	55.1 Å²	55.1	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-43.6	174.6	-68	74.6	-168.7	0	0	111.5	K201 C204 I205 Q206 Y226 K227 T232 F233	K201-E229 VanDerWaalsContact CE-OE1 3.28Å; K201-E229 WeakPolarHBondContact CE-OE1 3.12Å; K201-E229 WeakPolarHBondContact CE-OE2 3.35Å; K201-E229 IonicContact NZ-OE1 3.62Å; K201-E229 PolarHBondContact NZ-OE1 3.42Å; K201-E229 IonicContact NZ-OE2 2.73Å; K201-E229 PolarHBondContact NZ-OE2 3.19Å; C204-E229 WeakPolarHBondContact CA-OE1 3.31Å; I205-E229 HydrophobicContact CB-CG 4.23Å; I205-E229 HydrophobicContact CD1-CG 4.31Å; I205-E229 HydrophobicContact CG1-CG 4.09Å; I205-E229 PolarHBondContact N-OE1 3.42Å; Q206-E229 PolarHBondContact N-OE1 3.2Å; Y226-E229 VanDerWaalsContact CA-OE2 3.28Å; Y226-E229 WeakPolarHBondContact CA-OE2 3.49Å; Y226-E229 HydrophobicContact CD1-CB 4.13Å; Y226-E229 HydrophobicContact CD1-CG 3.96Å; Y226-E229 PolarHBondContact O-N 3.37Å; K227-E229 VanDerWaalsContact C-N 3.33Å; K227-E229 PolarHBondContact O-N 3.26Å; E229-T232 PolarHBondContact O-N 3.41Å; E229-F233 VanDerWaalsContact O-CB 3.26Å; E229-F233 WeakPolarHBondContact O-CB 3.38Å; E229-F233 PolarHBondContact O-N 3.35Å
230	L	93.2	Very high	81.1	Confident	1 Å²	1	54 Å²	54	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-69.3	-33.6	175.7	-74.6	167.4	0	0	0	112.9	Y226 K227 G234 V353 R438 C441 L442	Y226-L230 WeakPolarHBondContact O-CB 3.37Å; Y226-L230 WeakPolarHBondContact O-CG 3.26Å; Y226-L230 PolarHBondContact O-N 3.05Å; K227-L230 PolarHBondContact O-N 3.3Å; L230-G234 PolarHBondContact O-N 3.31Å; L230-G234 VanDerWaalsContact O-N 3.16Å; L230-V353 HydrophobicContact CD2-CB 4.38Å; L230-V353 HydrophobicContact CD2-CG1 4.27Å; L230-V353 HydrophobicContact CD2-CG2 4.18Å; L230-V353 HydrophobicContact CG-CG2 4.29Å; L230-R438 HydrophobicContact CD2-CG 4.22Å; L230-R438 VanDerWaalsContact O-CD 3.24Å; L230-R438 WeakPolarHBondContact O-CD 3.26Å; L230-R438 PolarHBondContact O-NH1 3.14Å; L230-C441 HydrophobicContact CD1-CB 3.76Å; L230-C441 WeakPolarHBondContact CD1-O 3.5Å; L230-C441 HydrophobicContact CD2-CB 3.63Å; L230-C441 HydrophobicContact CG-CB 4.38Å; L230-L442 HydrophobicContact CB-CD2 3.74Å; L230-L442 HydrophobicContact CB-CG 4.13Å; L230-L442 HydrophobicContact CD1-CD2 3.82Å; L230-L442 HydrophobicContact CD1-CG 4.03Å; L230-L442 HydrophobicContact CG-CD2 4.44Å
231	E	92.2	Very high	80.6	Confident	76 Å²	76	53.7 Å²	53.7	36%	0.355	30%	0.296	S	S	.	.	H	α-helix	trans	-70.3	-43.4	173.8	-72.8	170.8	159.9	0	0	111.4	K227 V228 F233 G234 N235	K227-E231 VanDerWaalsContact CE-CD 3.48Å; K227-E231 WeakPolarHBondContact CE-OE1 3.47Å; K227-E231 HydrophobicContact CG-CG 4.46Å; K227-E231 IonicContact NZ-OE1 3.7Å; K227-E231 WeakPolarHBondContact O-CG 3.25Å; K227-E231 PolarHBondContact O-N 3.1Å; V228-E231 PolarHBondContact O-N 3.21Å; E231-F233 VanDerWaalsContact C-N 3.32Å; E231-F233 PolarHBondContact O-N 2.98Å; E231-G234 PolarHBondContact O-N 3.49Å; E231-G234 VanDerWaalsContact O-N 3.16Å; E231-N235 PolarHBondContact O-N 3.43Å; E231-N235 VanDerWaalsContact O-N 3.08Å; E231-N235 PolarHBondContact O-ND2 2.91Å
232	T	91	Very high	79.8	Confident	47 Å²	47	53.7 Å²	53.7	29%	0.288	29%	0.293	S	S	.	.	H	α-helix	trans	-64.5	-36.6	176.2	-54.2	0	0	0	0	112.1	I205 V228 E229 N235 N236	I205-T232 HydrophobicContact CD1-CG2 3.81Å; V228-T232 VanDerWaalsContact O-CB 3.29Å; V228-T232 WeakPolarHBondContact O-CB 3.28Å; V228-T232 PolarHBondContact O-N 3Å; V228-T232 PolarHBondContact O-OG1 3.31Å; E229-T232 PolarHBondContact O-N 3.41Å; T232-N235 PolarHBondContact O-N 2.98Å; T232-N236 PolarHBondContact O-N 3.13Å; T232-N236 PolarHBondContact O-ND2 3.27Å; T232-N236 VanDerWaalsContact O-ND2 3.13Å
233	F	89.1	Confident	78.5	Confident	13 Å²	13	52 Å²	52	6%	0.057	29%	0.286	C	S	.	.	H	α-helix	trans	-66.5	-34.2	173.6	-178.3	-90.9	0	0	0	112.9	E229 E231 N236 L237 P238 P328 V353 N354 I434 R438	E229-F233 VanDerWaalsContact O-CB 3.26Å; E229-F233 WeakPolarHBondContact O-CB 3.38Å; E229-F233 PolarHBondContact O-N 3.35Å; E231-F233 VanDerWaalsContact C-N 3.32Å; E231-F233 PolarHBondContact O-N 2.98Å; F233-N236 CarbonylContact O-C 3.5Å; F233-L237 WeakPolarHBondContact O-CA 3.28Å; F233-L237 PolarHBondContact O-N 2.93Å; F233-P238 HydrophobicContact CD2-CG 4.16Å; F233-P238 HydrophobicContact CE2-CG 3.45Å; F233-P238 VanDerWaalsContact CE2-CG 3.45Å; F233-P238 HydrophobicContact CZ-CG 3.88Å; F233-P328 HydrophobicContact CD2-CB 3.88Å; F233-P328 HydrophobicContact CE2-CB 4.25Å; F233-V353 HydrophobicContact CB-CG1 4.4Å; F233-V353 HydrophobicContact CD2-CG1 4.3Å; F233-V353 HydrophobicContact CG-CG1 4.37Å; F233-N354 HydrophobicContact CD2-CB 4.4Å; F233-N354 HydrophobicContact CE1-CB 4.49Å; F233-N354 HydrophobicContact CE2-CB 3.5Å; F233-N354 VanDerWaalsContact CE2-CB 3.5Å; F233-N354 HydrophobicContact CZ-CB 3.56Å; F233-N354 VanDerWaalsContact CZ-CG 3.5Å; F233-I434 HydrophobicContact CE1-CG2 3.85Å; F233-I434 HydrophobicContact CZ-CG2 4.44Å; F233-R438 HydrophobicContact CD1-CG 4.46Å
234	G	84	Confident	77	Confident	17 Å²	17	49 Å²	49	18%	0.175	27%	0.266	C	S	.	.	H	α-helix	trans	-68	-44	174	0	0	0	0	0	112.3	L230 E231 R438	L230-G234 PolarHBondContact O-N 3.31Å; L230-G234 VanDerWaalsContact O-N 3.16Å; E231-G234 PolarHBondContact O-N 3.49Å; E231-G234 VanDerWaalsContact O-N 3.16Å; G234-R438 VanDerWaalsContact CA-CD 3.47Å
235	N	81.9	Confident	75.4	Confident	139 Å²	139	53.1 Å²	53.1	74%	0.743	30%	0.296	S	S	*	.	H	α-helix	trans	-67.1	-39.9	178.3	-67.5	-25.7	0	0	0	112.6	E231 T232	E231-N235 PolarHBondContact O-N 3.43Å; E231-N235 VanDerWaalsContact O-N 3.08Å; E231-N235 PolarHBondContact O-ND2 2.91Å; T232-N235 PolarHBondContact O-N 2.98Å
236	N	77.6	Confident	74.1	Confident	116 Å²	116	57.9 Å²	57.9	62%	0.62	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	52.4	176.7	-59	-78.3	0	0	0	110.3	T232 F233 P238	T232-N236 PolarHBondContact O-N 3.13Å; T232-N236 PolarHBondContact O-ND2 3.27Å; T232-N236 VanDerWaalsContact O-ND2 3.13Å; F233-N236 CarbonylContact O-C 3.5Å; N236-P238 VanDerWaalsContact O-CD 3.26Å; N236-P238 WeakPolarHBondContact O-CD 3.29Å
237	L	69.1	Low	73	Confident	61 Å²	61	61.7 Å²	61.7	32%	0.319	34%	0.338	S	S	.	.			trans	-51.6	114.6	-178.9	-153.9	78.9	0	0	0	109.2	F233 I434	F233-L237 WeakPolarHBondContact O-CA 3.28Å; F233-L237 PolarHBondContact O-N 2.93Å; L237-I434 HydrophobicContact CD1-CB 4.26Å; L237-I434 HydrophobicContact CD1-CG2 3.66Å; L237-I434 HydrophobicContact CD2-CD1 4.27Å; L237-I434 HydrophobicContact CG-CG2 4.38Å
238	P	60.6	Low	72.5	Confident	48 Å²	48	57.2 Å²	57.2	31%	0.312	32%	0.319	S	S	.	.			trans	-60.2	149.7	-175.7	-23.8	33.1	0	0	0	110.4	F233 N236 L240	F233-P238 HydrophobicContact CD2-CG 4.16Å; F233-P238 HydrophobicContact CE2-CG 3.45Å; F233-P238 VanDerWaalsContact CE2-CG 3.45Å; F233-P238 HydrophobicContact CZ-CG 3.88Å; N236-P238 VanDerWaalsContact O-CD 3.26Å; N236-P238 WeakPolarHBondContact O-CD 3.29Å; P238-L240 HydrophobicContact CB-CD1 4.21Å; P238-L240 PolarHBondContact O-N 2.3Å
239	S	53.1	Low	72	Confident	87 Å²	87	60.1 Å²	60.1	61%	0.608	34%	0.338	S	S	*	.			trans	-71.2	78.9	169.8	59.7	0	0	0	0	110.3	N241	S239-N241 WeakPolarHBondContact O-CB 3.31Å; S239-N241 PolarHBondContact O-N 3.18Å
240	L	53.8	Low	71.4	Confident	17 Å²	17	62.8 Å²	62.8	9%	0.089	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	35.6	-81.4	130.3	-59.8	51.9	0	0	0	114.4	P238 E242 M243 M244 L430 I434	P238-L240 HydrophobicContact CB-CD1 4.21Å; P238-L240 PolarHBondContact O-N 2.3Å; L240-E242 PolarHBondContact O-N 2.92Å; L240-M243 HydrophobicContact CD2-CB 3.45Å; L240-M243 VanDerWaalsContact CD2-CB 3.45Å; L240-M243 HydrophobicContact CD2-CG 4.2Å; L240-M243 HydrophobicContact CD2-SD 3.74Å; L240-M243 PolarHBondContact O-N 3.1Å; L240-M244 HydrophobicContact CB-SD 4.33Å; L240-M244 WeakPolarHBondContact O-CG 3.31Å; L240-L430 HydrophobicContact CB-CD2 3.9Å; L240-L430 HydrophobicContact CB-CG 4.47Å; L240-I434 HydrophobicContact CB-CD1 4.09Å; L240-I434 HydrophobicContact CD1-CD1 4.08Å; L240-I434 HydrophobicContact CG-CD1 3.85Å
241	N	50.8	Low	70.9	Confident	87 Å²	87	67 Å²	67	47%	0.465	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-17.1	-45.2	176.2	-56.1	-0.9	0	0	0	117.7	S239 M243 M244 S245	S239-N241 WeakPolarHBondContact O-CB 3.31Å; S239-N241 PolarHBondContact O-N 3.18Å; N241-M243 PolarHBondContact O-N 3.37Å; N241-M244 VanDerWaalsContact CA-SD 3.56Å; N241-M244 PolarHBondContact N-SD 3.21Å; N241-M244 WeakPolarHBondContact O-CB 3.32Å; N241-M244 PolarHBondContact O-N 3.38Å; N241-M244 VanDerWaalsContact O-N 3.13Å; N241-S245 PolarHBondContact O-N 2.91Å; N241-S245 PolarHBondContact O-OG 3.34Å
242	E	53.4	Low	70.4	Confident	123 Å²	123	68.1 Å²	68.1	58%	0.575	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-64.7	-36.9	179.2	-75.8	-156.4	-149.9	0	0	113.2	L240 M244 K277 Y278	L240-E242 PolarHBondContact O-N 2.92Å; E242-M244 PolarHBondContact O-N 2.85Å; E242-K277 IonicContact OE2-NZ 3.06Å; E242-K277 PolarHBondContact OE2-NZ 2.85Å; E242-Y278 PolarHBondContact O-OH 3.18Å
243	M	55	Low	70	Confident	2 Å²	2	68.6 Å²	68.6	1%	0.01	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-74.3	-8.7	176	-165.1	-178.4	176.7	0	0	112.8	L240 N241 Y278 V331 V333 A417	L240-M243 HydrophobicContact CD2-CB 3.45Å; L240-M243 VanDerWaalsContact CD2-CB 3.45Å; L240-M243 HydrophobicContact CD2-CG 4.2Å; L240-M243 HydrophobicContact CD2-SD 3.74Å; L240-M243 PolarHBondContact O-N 3.1Å; N241-M243 PolarHBondContact O-N 3.37Å; M243-Y278 WeakPolarHBondContact CA-OH 3.21Å; M243-Y278 HydrophobicContact CB-CD1 4.33Å; M243-Y278 HydrophobicContact CB-CE1 3.68Å; M243-Y278 HydrophobicContact CG-CD1 3.84Å; M243-Y278 HydrophobicContact CG-CE1 3.69Å; M243-Y278 HydrophobicContact CG-CG 4.41Å; M243-Y278 PolarHBondContact N-OH 3.12Å; M243-Y278 HydrophobicContact SD-CD1 4.3Å; M243-V331 HydrophobicContact CE-CG1 4.26Å; M243-V331 HydrophobicContact SD-CB 4.17Å; M243-V331 HydrophobicContact SD-CG1 3.9Å; M243-V331 HydrophobicContact SD-CG2 3.99Å; M243-V333 HydrophobicContact CE-CG2 3.69Å; M243-A417 HydrophobicContact CE-CB 3.84Å
244	M	54.3	Low	69.4	Low	12 Å²	12	71.5 Å²	71.5	6%	0.059	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	-20.2	-165.3	-42.7	-173.6	77.2	0	0	112.8	L240 N241 E242 C421 R422 Q425 L430	L240-M244 HydrophobicContact CB-SD 4.33Å; L240-M244 WeakPolarHBondContact O-CG 3.31Å; N241-M244 VanDerWaalsContact CA-SD 3.56Å; N241-M244 PolarHBondContact N-SD 3.21Å; N241-M244 WeakPolarHBondContact O-CB 3.32Å; N241-M244 PolarHBondContact O-N 3.38Å; N241-M244 VanDerWaalsContact O-N 3.13Å; E242-M244 PolarHBondContact O-N 2.85Å; M244-C421 HydrophobicContact CE-CB 4.24Å; M244-C421 VanDerWaalsContact CE-O 3.29Å; M244-C421 WeakPolarHBondContact CE-O 3.48Å; M244-R422 PolarHBondContact O-NH2 3.02Å; M244-Q425 HydrophobicContact CE-CB 3.5Å; M244-Q425 HydrophobicContact CE-CG 3.61Å; M244-Q425 HydrophobicContact SD-CG 4.43Å; M244-L430 HydrophobicContact CE-CD2 3.19Å; M244-L430 HydrophobicContact SD-CD2 3.71Å
245	S	58.2	Low	68.5	Low	101 Å²	101	76.3 Å²	76.3	71%	0.706	44%	0.435	S	S	*	.	S	Bend	trans	-80.9	-17.3	-171.4	-59	0	0	0	0	113.8	N241	N241-S245 PolarHBondContact O-N 2.91Å; N241-S245 PolarHBondContact O-OG 3.34Å
246	E	65	Low	68.6	Low	106 Å²	106	73 Å²	73	50%	0.495	42%	0.422	S	S	.	.			trans	-111.4	121.1	-176.8	-69.4	-176.6	-159.1	0	0	112.4	F248 S418	E246-F248 HydrophobicContact CB-CD1 4.04Å; E246-F248 HydrophobicContact CB-CE1 3.58Å; E246-F248 HydrophobicContact CB-CZ 4.17Å; E246-F248 PolarHBondContact O-N 3.34Å; E246-F248 WeakPolarHBondContact OE2-CE1 3.47Å; E246-S418 PolarHBondContact O-OG 2.76Å
247	D	71.7	Confident	69.3	Low	80 Å²	80	71.6 Å²	71.6	43%	0.428	41%	0.409	S	S	.	.			trans	-81.9	89.9	165.4	-107	-6.4	0	0	0	108.9	R419 R422	D247-R419 VanDerWaalsContact CG-NH2 3.26Å; D247-R419 IonicContact OD1-CZ 2.76Å; D247-R419 IonicContact OD1-NE 3.45Å; D247-R419 PolarHBondContact OD1-NE 2.94Å; D247-R419 IonicContact OD1-NH2 3.1Å; D247-R419 PolarHBondContact OD1-NH2 2.95Å; D247-R419 IonicContact OD2-CZ 3.19Å; D247-R419 IonicContact OD2-NE 2.74Å; D247-R419 IonicContact OD2-NH2 2.7Å; D247-R419 PolarHBondContact OD2-NH2 2.86Å; D247-R422 IonicContact OD1-CZ 3.27Å; D247-R422 VanDerWaalsContact OD1-CZ 3.27Å; D247-R422 IonicContact OD1-NH1 2.75Å; D247-R422 PolarHBondContact OD1-NH1 3.28Å; D247-R422 IonicContact OD1-NH2 2.88Å; D247-R422 PolarHBondContact OD1-NH2 3.24Å; D247-R422 IonicContact OD2-NH1 3.38Å; D247-R422 PolarHBondContact OD2-NH1 3.12Å
248	F	81.7	Confident	70.5	Confident	12 Å²	12	71.9 Å²	71.9	5%	0.053	41%	0.409	C	S	.	.			trans	-59.4	125.9	175.9	-52.5	-50.2	0	0	0	110.1	E246 Y278 L303 L414 H415	E246-F248 HydrophobicContact CB-CD1 4.04Å; E246-F248 HydrophobicContact CB-CE1 3.58Å; E246-F248 HydrophobicContact CB-CZ 4.17Å; E246-F248 PolarHBondContact O-N 3.34Å; E246-F248 WeakPolarHBondContact OE2-CE1 3.47Å; F248-Y278 HydrophobicContact CE1-CD2 4.47Å; F248-Y278 HydrophobicContact CE1-CE2 4.47Å; F248-Y278 HydrophobicContact CE2-CD2 4.32Å; F248-Y278 AromaticContact CZ-CD2 3.65Å; F248-Y278 HydrophobicContact CZ-CD2 3.65Å; F248-Y278 AromaticContact CZ-CE2 3.74Å; F248-Y278 HydrophobicContact CZ-CE2 3.74Å; F248-L303 HydrophobicContact CB-CD2 4.07Å; F248-L303 HydrophobicContact CD1-CD1 3.78Å; F248-L303 HydrophobicContact CD1-CD2 3.53Å; F248-L303 HydrophobicContact CD1-CG 4.33Å; F248-L303 HydrophobicContact CD2-CD2 4Å; F248-L303 HydrophobicContact CE1-CD1 3.56Å; F248-L303 HydrophobicContact CE1-CD2 3.92Å; F248-L303 HydrophobicContact CE1-CG 4.39Å; F248-L303 HydrophobicContact CE2-CD2 4.35Å; F248-L303 HydrophobicContact CG-CD2 3.58Å; F248-L303 HydrophobicContact CZ-CD1 4.26Å; F248-L303 HydrophobicContact CZ-CD2 4.33Å; F248-L414 HydrophobicContact CD2-CB 4.48Å; F248-H415 PolarHBondContact O-ND1 3.39Å
249	P	82	Confident	72.2	Confident	107 Å²	107	72.7 Å²	72.7	70%	0.695	41%	0.406	S	S	*	.			trans	-69.2	142	178	28.4	-34.1	0	0	0	110.6	K251	P249-K251 PolarHBondContact O-N 2.86Å; P249-K251 VanDerWaalsContact O-N 3.17Å
250	V	81.6	Confident	74.2	Confident	67 Å²	67	68.6 Å²	68.6	41%	0.406	38%	0.377	S	S	.	.			trans	-65.5	114.2	167.6	172.8	0	0	0	0	108.1	V380 Y412	V250-V380 HydrophobicContact CG1-CG1 3.59Å; V250-V380 HydrophobicContact CG2-CG1 4.14Å; V250-Y412 HydrophobicContact CG1-CD1 4.17Å; V250-Y412 HydrophobicContact CG1-CE1 3.92Å
251	K	82.3	Confident	76.2	Confident	89 Å²	89	71.3 Å²	71.3	39%	0.387	39%	0.392	S	S	.	.			trans	-80.5	147.3	166.7	-72.4	-180	169.1	-178.9	0	109.8	P249 L303 G304 H411 Y412	P249-K251 PolarHBondContact O-N 2.86Å; P249-K251 VanDerWaalsContact O-N 3.17Å; K251-L303 WeakPolarHBondContact CE-O 3.44Å; K251-L303 PolarHBondContact NZ-O 3.36Å; K251-G304 PolarHBondContact NZ-O 3.23Å; K251-H411 PolarHBondContact O-NE2 2.78Å; K251-Y412 WeakPolarHBondContact O-CE1 3.35Å
252	P	82.5	Confident	78.4	Confident	100 Å²	100	70.4 Å²	70.4	65%	0.649	39%	0.39	S	S	*	.			trans	-62.1	149.1	161.4	-18.1	32.2	0	0	0	110	D254 H411	P252-D254 PolarHBondContact O-N 2.99Å; P252-H411 PolarHBondContact O-NE2 2.72Å
253	L	82.4	Confident	80.4	Confident	57 Å²	57	67.8 Å²	67.8	30%	0.298	38%	0.38	S	S	.	.			trans	-71.7	85.7	167.4	-173.1	72	0	0	0	108.3	R407 H411 Y412	L253-R407 HydrophobicContact CD1-CB 3.92Å; L253-H411 HydrophobicContact CD1-CB 4.19Å; L253-Y412 PolarHBondContact N-OH 3.12Å
254	D	77.1	Confident	82.4	Confident	74 Å²	74	72.4 Å²	72.4	40%	0.396	40%	0.404	S	S	.	.			trans	-76.5	174.2	177.3	68.3	40.5	0	0	0	112	P252 S256 R407	P252-D254 PolarHBondContact O-N 2.99Å; D254-S256 PolarHBondContact O-N 3.43Å; D254-S256 WeakPolarHBondContact OD1-CA 3.29Å; D254-S256 VanDerWaalsContact OD1-CB 3.28Å; D254-S256 WeakPolarHBondContact OD1-CB 3.43Å; D254-S256 PolarHBondContact OD1-N 3.47Å; D254-S256 PolarHBondContact OD1-OG 3.17Å; D254-R407 VanDerWaalsContact O-CZ 3.29Å; D254-R407 PolarHBondContact O-NH1 3.28Å; D254-R407 PolarHBondContact O-NH2 2.92Å; D254-R407 IonicContact OD1-NH2 2.64Å
255	S	64.4	Low	84.3	Confident	118 Å²	118	73.1 Å²	73.1	83%	0.825	41%	0.409	S	S	*	.	S	Bend	trans	-75.2	1	-178.7	-49.5	0	0	0	0	114.5
256	S	83.4	Confident	86.2	Confident	68 Å²	68	68.3 Å²	68.3	48%	0.476	38%	0.375	S	S	.	.			trans	-91.7	118.4	-177	76.7	0	0	0	0	112.1	D254 R407	D254-S256 PolarHBondContact O-N 3.43Å; D254-S256 WeakPolarHBondContact OD1-CA 3.29Å; D254-S256 VanDerWaalsContact OD1-CB 3.28Å; D254-S256 WeakPolarHBondContact OD1-CB 3.43Å; D254-S256 PolarHBondContact OD1-N 3.47Å; D254-S256 PolarHBondContact OD1-OG 3.17Å; S256-R407 PolarHBondContact O-NH2 2.85Å
257	Y	92	Very high	87.7	Confident	88 Å²	88	66.9 Å²	66.9	35%	0.345	37%	0.369	S	S	.	.			trans	-153.1	158.7	171.1	68.1	-79.5	0	0	0	108.6	D306 I308 I403	Y257-D306 WeakPolarHBondContact CA-O 3.32Å; Y257-I308 HydrophobicContact CD2-CG1 4.32Å; Y257-I403 HydrophobicContact CD1-CG2 4.48Å; Y257-I403 HydrophobicContact CD2-CG2 4.11Å; Y257-I403 HydrophobicContact CE1-CG2 4.11Å; Y257-I403 HydrophobicContact CE2-CD1 4.4Å; Y257-I403 HydrophobicContact CE2-CG2 3.7Å; Y257-I403 HydrophobicContact CG-CG2 4.49Å
258	Q	94.5	Very high	88.8	Confident	67 Å²	67	67.3 Å²	67.3	31%	0.313	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.5	173	-176.7	174.8	-6.7	0	0	109.7	V260 D306 Y307 I308	Q258-V260 HydrophobicContact CG-CG2 3.9Å; Q258-D306 PolarHBondContact N-O 2.76Å; Q258-Y307 HydrophobicContact CB-CD1 3.88Å; Q258-Y307 HydrophobicContact CB-CE1 4.2Å; Q258-Y307 HydrophobicContact CG-CD1 4.45Å; Q258-Y307 WeakPolarHBondContact O-CA 3.2Å; Q258-I308 PolarHBondContact O-N 2.96Å
259	Y	96	Very high	89.4	Confident	65 Å²	65	66.9 Å²	66.9	26%	0.255	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.7	166.3	-161	-105.4	0	0	0	109.2	D261 I308 D310 R396 L398	Y259-D261 HydrophobicContact CD1-CB 4.18Å; Y259-D261 HydrophobicContact CE1-CB 3.89Å; Y259-I308 WeakPolarHBondContact CA-O 3.33Å; Y259-I308 HydrophobicContact CD2-CB 4.12Å; Y259-I308 HydrophobicContact CD2-CG2 3.77Å; Y259-I308 HydrophobicContact CE2-CG2 3.76Å; Y259-D310 HydrophobicContact CE1-CB 4.38Å; Y259-D310 PolarHBondContact OH-OD2 3.36Å; Y259-R396 PolarHBondContact OH-NE 3.28Å; Y259-L398 HydrophobicContact CE2-CD1 4.21Å
260	V	96.8	Very high	90.1	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	101.6	-172	178.2	0	0	0	0	109.3	Q258 L266 I269 I308 I309 D310 L314	Q258-V260 HydrophobicContact CG-CG2 3.9Å; V260-L266 HydrophobicContact CG1-CB 4.03Å; V260-L266 HydrophobicContact CG1-CD1 4.33Å; V260-I269 HydrophobicContact CG1-CD1 4.19Å; V260-I269 HydrophobicContact CG1-CG1 4.48Å; V260-I269 HydrophobicContact CG2-CD1 4.13Å; V260-I269 HydrophobicContact CG2-CG2 3.98Å; V260-I308 PolarHBondContact N-O 3.5Å; V260-I309 HydrophobicContact CB-CB 4.44Å; V260-I309 HydrophobicContact CB-CG1 4.17Å; V260-I309 HydrophobicContact CB-CG2 4.37Å; V260-I309 HydrophobicContact CG1-CG1 4.47Å; V260-I309 HydrophobicContact CG1-CG2 4.19Å; V260-I309 CarbonylContact O-C 3.49Å; V260-I309 WeakPolarHBondContact O-CA 3Å; V260-D310 PolarHBondContact O-N 3.47Å; V260-L314 HydrophobicContact CG1-CD1 3.9Å; V260-L314 VanDerWaalsContact O-CD1 3.31Å; V260-L314 WeakPolarHBondContact O-CD1 3.43Å
261	D	95.7	Very high	90.7	Very high	74 Å²	74	64.3 Å²	64.3	40%	0.396	34%	0.339	S	S	.	.			trans	-126.3	-1.3	-175.9	62	-4.1	0	0	0	113.5	Y259 D310 A313	Y259-D261 HydrophobicContact CD1-CB 4.18Å; Y259-D261 HydrophobicContact CE1-CB 3.89Å; D261-D310 HydrophobicContact CB-CB 4.06Å; D261-A313 HydrophobicContact CB-CB 4.45Å
262	T	96.4	Very high	91.3	Very high	68 Å²	68	62.4 Å²	62.4	42%	0.417	34%	0.337	S	S	.	.	S	Bend	trans	-129.6	148.5	-172.5	39.2	0	0	0	0	111.3	D264 T265 L266	T262-D264 VanDerWaalsContact C-N 3.32Å; T262-D264 PolarHBondContact O-N 2.98Å; T262-T265 PolarHBondContact N-OG1 2.78Å; T262-T265 PolarHBondContact O-N 2.88Å; T262-T265 PolarHBondContact O-OG1 2.83Å; T262-T265 WeakPolarHBondContact OG1-CG2 3.45Å; T262-T265 PolarHBondContact OG1-OG1 2.7Å; T262-L266 PolarHBondContact O-N 3.03Å
263	L	95.5	Very high	91.9	Very high	69 Å²	69	57.7 Å²	57.7	36%	0.361	31%	0.306	S	S	.	.	H	α-helix	trans	-60.9	-39.1	-175.2	179.3	59.8	0	0	0	112.7	L266 E267 H317	L263-L266 WeakPolarHBondContact O-CB 3.46Å; L263-L266 PolarHBondContact O-N 2.95Å; L263-E267 HydrophobicContact CD1-CG 4.4Å; L263-E267 PolarHBondContact O-N 2.98Å; L263-H317 HydrophobicContact CD1-CB 4.06Å
264	D	96.2	Very high	92.4	Very high	99 Å²	99	58.2 Å²	58.2	53%	0.529	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-46	176.4	175	42.6	0	0	0	111.9	T262 L266 E267 Q268	T262-D264 VanDerWaalsContact C-N 3.32Å; T262-D264 PolarHBondContact O-N 2.98Å; D264-L266 VanDerWaalsContact C-N 3.31Å; D264-L266 PolarHBondContact O-N 3.28Å; D264-E267 PolarHBondContact O-N 2.85Å; D264-Q268 WeakPolarHBondContact O-CB 3.49Å; D264-Q268 WeakPolarHBondContact O-CG 3.44Å; D264-Q268 PolarHBondContact O-N 2.73Å; D264-Q268 PolarHBondContact OD1-NE2 2.87Å; D264-Q268 PolarHBondContact OD2-NE2 2.8Å
265	T	95.8	Very high	93.2	Very high	26 Å²	26	62.5 Å²	62.5	16%	0.16	33%	0.334	C	S	.	.	H	α-helix	trans	-65.6	-34.3	175.5	57.3	0	0	0	0	112.1	T262 Q268 I269	T262-T265 PolarHBondContact N-OG1 2.78Å; T262-T265 PolarHBondContact O-N 2.88Å; T262-T265 PolarHBondContact O-OG1 2.83Å; T262-T265 WeakPolarHBondContact OG1-CG2 3.45Å; T262-T265 PolarHBondContact OG1-OG1 2.7Å; T265-Q268 PolarHBondContact O-N 2.62Å; T265-I269 WeakPolarHBondContact O-CG2 3.25Å; T265-I269 PolarHBondContact O-N 3.22Å
266	L	96.8	Very high	94.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-48.8	172.6	-177.9	61.6	0	0	0	111.7	V260 T262 L263 D264 Q268 I269 M270 L314 H317 L318 I320	V260-L266 HydrophobicContact CG1-CB 4.03Å; V260-L266 HydrophobicContact CG1-CD1 4.33Å; T262-L266 PolarHBondContact O-N 3.03Å; L263-L266 WeakPolarHBondContact O-CB 3.46Å; L263-L266 PolarHBondContact O-N 2.95Å; D264-L266 VanDerWaalsContact C-N 3.31Å; D264-L266 PolarHBondContact O-N 3.28Å; L266-Q268 VanDerWaalsContact C-N 3.29Å; L266-Q268 PolarHBondContact O-N 2.95Å; L266-I269 HydrophobicContact CD1-CD1 4.23Å; L266-I269 HydrophobicContact CD1-CG1 4.32Å; L266-I269 WeakPolarHBondContact O-CG1 3.27Å; L266-I269 PolarHBondContact O-N 3.43Å; L266-M270 WeakPolarHBondContact O-CG 3.27Å; L266-M270 PolarHBondContact O-N 3.24Å; L266-L314 HydrophobicContact CB-CD1 4.25Å; L266-L314 HydrophobicContact CD2-CD1 4.29Å; L266-L314 HydrophobicContact CD2-CD2 4.35Å; L266-H317 HydrophobicContact CD2-CB 4.11Å; L266-L318 HydrophobicContact CD1-CD2 4.22Å; L266-L318 HydrophobicContact CD2-CD2 4.27Å; L266-I320 HydrophobicContact CD1-CG2 4.5Å; L266-I320 HydrophobicContact CD2-CG2 3.77Å; L266-I320 HydrophobicContact CG-CG2 4.04Å
267	E	96.1	Very high	94.9	Very high	77 Å²	77	60.3 Å²	60.3	36%	0.36	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-33.7	176.4	-77	-171.6	-153	0	0	113	L263 D264 K271 I320	L263-E267 HydrophobicContact CD1-CG 4.4Å; L263-E267 PolarHBondContact O-N 2.98Å; D264-E267 PolarHBondContact O-N 2.85Å; E267-K271 VanDerWaalsContact O-CD 3.22Å; E267-K271 WeakPolarHBondContact O-CD 3.42Å; E267-K271 WeakPolarHBondContact O-CE 3.44Å; E267-K271 VanDerWaalsContact O-CG 3.31Å; E267-K271 WeakPolarHBondContact O-CG 3.45Å; E267-K271 PolarHBondContact O-N 3.3Å; E267-K271 IonicContact OE2-NZ 2.76Å; E267-K271 PolarHBondContact OE2-NZ 2.98Å; E267-I320 HydrophobicContact CG-CD1 4.37Å
268	Q	95.3	Very high	94.9	Very high	89 Å²	89	56.9 Å²	56.9	42%	0.416	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-45.8	174.8	-72.5	168.3	25.4	0	0	111.5	D264 T265 L266 K271 S272	D264-Q268 WeakPolarHBondContact O-CB 3.49Å; D264-Q268 WeakPolarHBondContact O-CG 3.44Å; D264-Q268 PolarHBondContact O-N 2.73Å; D264-Q268 PolarHBondContact OD1-NE2 2.87Å; D264-Q268 PolarHBondContact OD2-NE2 2.8Å; T265-Q268 PolarHBondContact O-N 2.62Å; L266-Q268 VanDerWaalsContact C-N 3.29Å; L266-Q268 PolarHBondContact O-N 2.95Å; Q268-K271 PolarHBondContact O-N 3.5Å; Q268-S272 PolarHBondContact O-N 2.76Å
269	I	95.3	Very high	95	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-34.7	177.6	67.1	157.3	0	0	0	112	V260 T265 L266 K271 S272 L273 Y307 I309	V260-I269 HydrophobicContact CG1-CD1 4.19Å; V260-I269 HydrophobicContact CG1-CG1 4.48Å; V260-I269 HydrophobicContact CG2-CD1 4.13Å; V260-I269 HydrophobicContact CG2-CG2 3.98Å; T265-I269 WeakPolarHBondContact O-CG2 3.25Å; T265-I269 PolarHBondContact O-N 3.22Å; L266-I269 HydrophobicContact CD1-CD1 4.23Å; L266-I269 HydrophobicContact CD1-CG1 4.32Å; L266-I269 WeakPolarHBondContact O-CG1 3.27Å; L266-I269 PolarHBondContact O-N 3.43Å; I269-K271 VanDerWaalsContact C-N 3.28Å; I269-K271 PolarHBondContact O-N 2.82Å; I269-S272 WeakPolarHBondContact O-CA 3.45Å; I269-S272 WeakPolarHBondContact O-CB 3.24Å; I269-S272 PolarHBondContact O-N 2.93Å; I269-L273 HydrophobicContact CB-CD1 4.39Å; I269-L273 HydrophobicContact CD1-CD1 4.11Å; I269-L273 HydrophobicContact CG1-CD1 4.3Å; I269-L273 WeakPolarHBondContact O-CB 3.41Å; I269-L273 VanDerWaalsContact O-CG 3.25Å; I269-L273 WeakPolarHBondContact O-CG 3.42Å; I269-L273 PolarHBondContact O-N 3.4Å; I269-Y307 HydrophobicContact CB-CD1 4.1Å; I269-Y307 HydrophobicContact CB-CE1 4.06Å; I269-Y307 HydrophobicContact CD1-CD1 4.45Å; I269-Y307 HydrophobicContact CD1-CG 4.44Å; I269-Y307 HydrophobicContact CG2-CD1 3.43Å; I269-Y307 VanDerWaalsContact CG2-CD1 3.43Å; I269-Y307 HydrophobicContact CG2-CE1 3.41Å; I269-Y307 VanDerWaalsContact CG2-CE1 3.41Å; I269-Y307 HydrophobicContact CG2-CG 4.39Å; I269-I309 HydrophobicContact CD1-CD1 3.63Å; I269-I309 HydrophobicContact CD1-CG1 4.02Å
270	M	96.3	Very high	95	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.03	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-37.4	175.3	-73.1	-59.1	-62.8	0	0	112.7	L266 S272 L273 S274 I320 L321 E323 V324	L266-M270 WeakPolarHBondContact O-CG 3.27Å; L266-M270 PolarHBondContact O-N 3.24Å; M270-S272 VanDerWaalsContact C-N 3.29Å; M270-S272 PolarHBondContact O-N 2.91Å; M270-L273 PolarHBondContact O-N 3.43Å; M270-L273 HydrophobicContact SD-CD1 4.33Å; M270-S274 WeakPolarHBondContact O-CB 3.42Å; M270-S274 PolarHBondContact O-N 3.08Å; M270-S274 PolarHBondContact O-OG 3.23Å; M270-I320 HydrophobicContact CE-CG1 4.4Å; M270-I320 VanDerWaalsContact CE-O 3.25Å; M270-I320 WeakPolarHBondContact CE-O 3.1Å; M270-I320 HydrophobicContact CG-CD1 4.31Å; M270-I320 HydrophobicContact CG-CG1 4.37Å; M270-I320 HydrophobicContact CG-CG2 4.22Å; M270-L321 HydrophobicContact SD-CD2 3.84Å; M270-E323 HydrophobicContact CE-CB 3.82Å; M270-V324 HydrophobicContact CE-CB 4.15Å; M270-V324 HydrophobicContact CE-CG2 3.66Å; M270-V324 HydrophobicContact SD-CG2 4.5Å
271	K	94.4	Very high	95.1	Very high	114 Å²	114	50.6 Å²	50.6	50%	0.496	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-26.9	174.4	-67.5	155.6	-166.6	154	0	112.8	E267 Q268 I269 S274	E267-K271 VanDerWaalsContact O-CD 3.22Å; E267-K271 WeakPolarHBondContact O-CD 3.42Å; E267-K271 WeakPolarHBondContact O-CE 3.44Å; E267-K271 VanDerWaalsContact O-CG 3.31Å; E267-K271 WeakPolarHBondContact O-CG 3.45Å; E267-K271 PolarHBondContact O-N 3.3Å; E267-K271 IonicContact OE2-NZ 2.76Å; E267-K271 PolarHBondContact OE2-NZ 2.98Å; Q268-K271 PolarHBondContact O-N 3.5Å; I269-K271 VanDerWaalsContact C-N 3.28Å; I269-K271 PolarHBondContact O-N 2.82Å; K271-S274 PolarHBondContact O-OG 3.36Å
272	S	94.2	Very high	95.2	Very high	50 Å²	50	48.1 Å²	48.1	35%	0.35	25%	0.251	S	S	.	.	H	α-helix	trans	-82.4	-44.7	173.5	-175.4	0	0	0	0	112.2	Q268 I269 M270 S274 M275 C276	Q268-S272 PolarHBondContact O-N 2.76Å; I269-S272 WeakPolarHBondContact O-CA 3.45Å; I269-S272 WeakPolarHBondContact O-CB 3.24Å; I269-S272 PolarHBondContact O-N 2.93Å; M270-S272 VanDerWaalsContact C-N 3.29Å; M270-S272 PolarHBondContact O-N 2.91Å; S272-S274 VanDerWaalsContact C-N 3.33Å; S272-S274 PolarHBondContact O-N 3.4Å; S272-M275 PolarHBondContact O-N 2.94Å; S272-M275 VanDerWaalsContact O-N 3.1Å; S272-C276 PolarHBondContact O-SG 2.95Å; S272-C276 VanDerWaalsContact O-SG 3.34Å
273	L	95.4	Very high	95.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-35.6	-179	-68.5	166.5	0	0	0	112.3	I269 M270 M275 C276 I279 M300 T302 Y307 V324	I269-L273 HydrophobicContact CB-CD1 4.39Å; I269-L273 HydrophobicContact CD1-CD1 4.11Å; I269-L273 HydrophobicContact CG1-CD1 4.3Å; I269-L273 WeakPolarHBondContact O-CB 3.41Å; I269-L273 VanDerWaalsContact O-CG 3.25Å; I269-L273 WeakPolarHBondContact O-CG 3.42Å; I269-L273 PolarHBondContact O-N 3.4Å; M270-L273 PolarHBondContact O-N 3.43Å; M270-L273 HydrophobicContact SD-CD1 4.33Å; L273-M275 PolarHBondContact O-N 2.58Å; L273-C276 WeakPolarHBondContact O-CB 3.16Å; L273-C276 PolarHBondContact O-N 3.2Å; L273-I279 HydrophobicContact CD2-CG2 3.78Å; L273-M300 HydrophobicContact CD1-CE 3.77Å; L273-M300 HydrophobicContact CD1-SD 3.96Å; L273-M300 HydrophobicContact CD2-CE 3.86Å; L273-M300 HydrophobicContact CG-CE 4.45Å; L273-T302 HydrophobicContact CD2-CG2 3.8Å; L273-Y307 HydrophobicContact CD2-CD2 4.42Å; L273-Y307 HydrophobicContact CD2-CE2 4.22Å; L273-V324 HydrophobicContact CB-CG1 4.26Å; L273-V324 HydrophobicContact CB-CG2 4Å
274	S	93.8	Very high	95.3	Very high	68 Å²	68	43 Å²	43	48%	0.476	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.7	174.8	51.6	0	0	0	0	114.7	M270 K271 S272	M270-S274 WeakPolarHBondContact O-CB 3.42Å; M270-S274 PolarHBondContact O-N 3.08Å; M270-S274 PolarHBondContact O-OG 3.23Å; K271-S274 PolarHBondContact O-OG 3.36Å; S272-S274 VanDerWaalsContact C-N 3.33Å; S272-S274 PolarHBondContact O-N 3.4Å
275	M	93.8	Very high	95.2	Very high	164 Å²	164	40 Å²	40	81%	0.808	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-7.3	171.8	-58.9	-173.9	-172.4	0	0	113	S272 L273	S272-M275 PolarHBondContact O-N 2.94Å; S272-M275 VanDerWaalsContact O-N 3.1Å; L273-M275 PolarHBondContact O-N 2.58Å
276	C	92.3	Very high	95.1	Very high	30 Å²	30	39.3 Å²	39.3	20%	0.203	20%	0.199	C	C	.	.			trans	-87.6	136.4	-177.1	-64.7	0	0	0	0	111.4	S272 L273 I279 I330	S272-C276 PolarHBondContact O-SG 2.95Å; S272-C276 VanDerWaalsContact O-SG 3.34Å; L273-C276 WeakPolarHBondContact O-CB 3.16Å; L273-C276 PolarHBondContact O-N 3.2Å; C276-I279 HydrophobicContact CB-CG2 3.97Å; C276-I330 WeakPolarHBondContact O-CG1 3.49Å; C276-I330 WeakPolarHBondContact O-CG2 3.38Å
277	K	91.5	Very high	94.9	Very high	111 Å²	111	41.9 Å²	41.9	48%	0.483	22%	0.216	S	C	.	.	S	Bend	trans	-73.3	-31.6	170.4	-67.8	-167.7	177.5	-171.9	0	113.1	E242 I330 V331	E242-K277 IonicContact OE2-NZ 3.06Å; E242-K277 PolarHBondContact OE2-NZ 2.85Å; K277-I330 CarbonylContact O-C 3.57Å; K277-I330 WeakPolarHBondContact O-CA 3.36Å; K277-V331 PolarHBondContact O-N 2.63Å
278	Y	92.1	Very high	94.7	Very high	16 Å²	16	43.6 Å²	43.6	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.1	-172	-38	-61.5	0	0	0	109.6	E242 M243 F248 V331	E242-Y278 PolarHBondContact O-OH 3.18Å; M243-Y278 WeakPolarHBondContact CA-OH 3.21Å; M243-Y278 HydrophobicContact CB-CD1 4.33Å; M243-Y278 HydrophobicContact CB-CE1 3.68Å; M243-Y278 HydrophobicContact CG-CD1 3.84Å; M243-Y278 HydrophobicContact CG-CE1 3.69Å; M243-Y278 HydrophobicContact CG-CG 4.41Å; M243-Y278 PolarHBondContact N-OH 3.12Å; M243-Y278 HydrophobicContact SD-CD1 4.3Å; F248-Y278 HydrophobicContact CE1-CD2 4.47Å; F248-Y278 HydrophobicContact CE1-CE2 4.47Å; F248-Y278 HydrophobicContact CE2-CD2 4.32Å; F248-Y278 AromaticContact CZ-CD2 3.65Å; F248-Y278 HydrophobicContact CZ-CD2 3.65Å; F248-Y278 AromaticContact CZ-CE2 3.74Å; F248-Y278 HydrophobicContact CZ-CE2 3.74Å; Y278-V331 WeakPolarHBondContact CA-O 3.44Å; Y278-V331 HydrophobicContact CD1-CB 3.95Å; Y278-V331 HydrophobicContact CD1-CG2 3.79Å; Y278-V331 HydrophobicContact CE1-CG2 4.08Å
279	I	95.7	Very high	94.6	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.6	174.5	54.5	161.1	0	0	0	110.1	L273 C276 V281 M300 T302 V324 F325 I330 V331 K332 V333	L273-I279 HydrophobicContact CD2-CG2 3.78Å; C276-I279 HydrophobicContact CB-CG2 3.97Å; I279-V281 HydrophobicContact CD1-CG2 4.08Å; I279-V281 HydrophobicContact CG1-CG2 4.46Å; I279-M300 HydrophobicContact CD1-CE 3.45Å; I279-M300 VanDerWaalsContact CD1-CE 3.45Å; I279-T302 HydrophobicContact CG2-CG2 4.22Å; I279-V324 HydrophobicContact CD1-CG1 3.61Å; I279-F325 HydrophobicContact CD1-CD1 4.48Å; I279-F325 HydrophobicContact CD1-CE1 4.31Å; I279-I330 HydrophobicContact CG1-CG2 4.06Å; I279-V331 PolarHBondContact N-O 2.74Å; I279-K332 HydrophobicContact CD1-CD 3.82Å; I279-K332 HydrophobicContact CD1-CG 3.78Å; I279-K332 HydrophobicContact CG1-CD 3.94Å; I279-K332 HydrophobicContact CG1-CG 3.94Å; I279-V333 PolarHBondContact O-N 2.88Å
280	A	96.8	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	143.2	167.8	0	0	0	0	0	109.8	M300 S301 V333 T410 L413 L414	A280-M300 CarbonylContact O-C 3.49Å; A280-M300 WeakPolarHBondContact O-CA 3.16Å; A280-S301 PolarHBondContact N-O 2.82Å; A280-S301 PolarHBondContact O-N 2.92Å; A280-V333 CarbonylContact C-O 3.35Å; A280-V333 WeakPolarHBondContact CA-O 3.48Å; A280-T410 WeakPolarHBondContact CB-O 3.01Å; A280-L413 HydrophobicContact CB-CB 3.84Å; A280-L413 HydrophobicContact CB-CD2 4.05Å; A280-L413 HydrophobicContact CB-CG 4.37Å; A280-L414 HydrophobicContact CB-CD2 4.09Å; A280-L414 HydrophobicContact CB-CG 3.95Å
281	V	98.2	Very high	94.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	141.5	-178	-172.3	0	0	0	0	110.3	I279 L283 I298 Q299 M300 F325 V333 F334	I279-V281 HydrophobicContact CD1-CG2 4.08Å; I279-V281 HydrophobicContact CG1-CG2 4.46Å; V281-L283 HydrophobicContact CG1-CD1 4.12Å; V281-I298 HydrophobicContact CG1-CG2 4.17Å; V281-Q299 WeakPolarHBondContact CA-O 3Å; V281-M300 HydrophobicContact CG1-CG 4.42Å; V281-M300 HydrophobicContact CG2-CE 4Å; V281-M300 HydrophobicContact CG2-CG 4.32Å; V281-F325 HydrophobicContact CG1-CE2 4.2Å; V281-F325 HydrophobicContact CG1-CZ 3.99Å; V281-F325 HydrophobicContact CG2-CZ 4.1Å; V281-V333 PolarHBondContact N-O 3.09Å; V281-F334 HydrophobicContact CB-CD1 4.32Å; V281-F334 HydrophobicContact CB-CD2 4.22Å; V281-F334 HydrophobicContact CB-CE1 3.84Å; V281-F334 HydrophobicContact CB-CE2 3.75Å; V281-F334 HydrophobicContact CB-CZ 3.55Å; V281-F334 HydrophobicContact CG1-CE1 3.71Å; V281-F334 HydrophobicContact CG1-CE2 4.21Å; V281-F334 HydrophobicContact CG1-CZ 3.51Å; V281-F334 HydrophobicContact CG2-CE2 4.22Å; V281-F334 HydrophobicContact CG2-CZ 4.32Å; V281-F334 WeakPolarHBondContact O-CD1 3.15Å
282	D	97.8	Very high	94.6	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.118	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	160.3	173.2	-168.7	76.8	0	0	0	109.9	Q299 T410	D282-Q299 HydrophobicContact CB-CB 4.44Å; D282-Q299 PolarHBondContact N-O 3.02Å; D282-Q299 VanDerWaalsContact N-O 3.08Å; D282-Q299 PolarHBondContact O-N 3.29Å; D282-Q299 PolarHBondContact O-OE1 3.1Å; D282-Q299 PolarHBondContact OD2-NE2 3.19Å; D282-T410 HydrophobicContact CB-CG2 3.48Å; D282-T410 VanDerWaalsContact CB-CG2 3.48Å
283	L	97.4	Very high	94.6	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	129.6	-174	-87	71.4	0	0	0	112.1	V281 T295 I298 F334 D340 W343 L344	V281-L283 HydrophobicContact CG1-CD1 4.12Å; L283-T295 HydrophobicContact CB-CG2 4.3Å; L283-T295 HydrophobicContact CD2-CG2 3.79Å; L283-T295 HydrophobicContact CG-CG2 3.98Å; L283-I298 HydrophobicContact CD1-CG1 4.47Å; L283-I298 HydrophobicContact CD1-CG2 4.37Å; L283-I298 HydrophobicContact CG-CG1 4.15Å; L283-F334 HydrophobicContact CD1-CE1 4.14Å; L283-D340 HydrophobicContact CD1-CB 4.27Å; L283-D340 HydrophobicContact CD2-CB 4.32Å; L283-W343 HydrophobicContact CB-CE3 4.35Å; L283-W343 HydrophobicContact CD2-CB 4.18Å; L283-W343 HydrophobicContact CD2-CE3 4.33Å; L283-L344 HydrophobicContact CD1-CD1 4.46Å; L283-L344 HydrophobicContact CD1-CD2 4.28Å; L283-L344 HydrophobicContact CD1-CG 4.36Å; L283-L344 HydrophobicContact CD2-CD2 4.01Å; L283-L344 HydrophobicContact CD2-CG 3.88Å
284	E	95.9	Very high	94.7	Very high	21 Å²	21	36.4 Å²	36.4	10%	0.098	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.4	167.8	-70.8	-69.3	-171.8	0	0	112.6	C296 L297 W393 Y405	E284-C296 PolarHBondContact O-N 2.75Å; E284-L297 HydrophobicContact CB-CB 3.84Å; E284-L297 HydrophobicContact CG-CB 4.39Å; E284-L297 PolarHBondContact N-O 3.05Å; E284-L297 PolarHBondContact O-N 2.91Å; E284-W393 HydrophobicContact CB-CB 4.24Å; E284-W393 HydrophobicContact CB-CD2 3.84Å; E284-W393 HydrophobicContact CB-CE3 4.28Å; E284-W393 HydrophobicContact CB-CG 3.78Å; E284-W393 HydrophobicContact CG-CD2 3.74Å; E284-W393 HydrophobicContact CG-CE3 4.04Å; E284-W393 HydrophobicContact CG-CG 4.19Å; E284-W393 HydrophobicContact CG-CH2 4.13Å; E284-W393 HydrophobicContact CG-CZ2 3.85Å; E284-W393 HydrophobicContact CG-CZ3 4.2Å; E284-W393 WeakPolarHBondContact OE1-CZ2 3.44Å; E284-W393 VanDerWaalsContact OE2-CD1 3.31Å; E284-W393 PolarHBondContact OE2-NE1 3.42Å; E284-Y405 VanDerWaalsContact OE1-CE1 3.26Å; E284-Y405 WeakPolarHBondContact OE1-CE1 3.26Å
285	H	93.9	Very high	94.8	Very high	36 Å²	36	33.1 Å²	33.1	17%	0.167	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	148	-172.7	-173.2	-98.4	0	0	0	113.2	S287 G293 I294 W343 R346	H285-S287 WeakPolarHBondContact CE1-CB 3.29Å; H285-G293 WeakPolarHBondContact CE1-CA 3.38Å; H285-G293 WeakPolarHBondContact NE2-CA 3.38Å; H285-G293 PolarHBondContact NE2-O 3.12Å; H285-I294 PolarHBondContact CD2-O 2.92Å; H285-I294 PolarHBondContact NE2-N 3.09Å; H285-W343 HydrophobicContact CB-CD2 4.15Å; H285-W343 HydrophobicContact CB-CE3 3.79Å; H285-W343 HydrophobicContact CB-CH2 3.49Å; H285-W343 VanDerWaalsContact CB-CH2 3.49Å; H285-W343 HydrophobicContact CB-CZ2 3.86Å; H285-W343 HydrophobicContact CB-CZ3 3.47Å; H285-W343 VanDerWaalsContact CB-CZ3 3.47Å; H285-W343 AromaticContact CD2-CD2 3.55Å; H285-W343 AromaticContact CD2-CE2 3.57Å; H285-W343 AromaticContact CD2-CG 3.87Å; H285-W343 AromaticContact CD2-NE1 3.91Å; H285-W343 AromaticContact CG-CD2 3.86Å; H285-W343 AromaticContact CG-CE2 3.63Å; H285-W343 AromaticContact CG-CH2 3.8Å; H285-W343 AromaticContact CG-CZ2 3.59Å; H285-W343 AromaticContact ND1-CE2 3.94Å; H285-W343 AromaticContact ND1-CZ2 3.71Å; H285-W343 AromaticContact NE2-CD1 3.93Å; H285-W343 AromaticContact NE2-NE1 3.89Å; H285-R346 PolarHBondContact CD2-NH2 2.9Å; H285-R346 PolarHBondContact NE2-NH1 2.95Å; H285-R346 PolarHBondContact NE2-NH2 2.86Å
286	H	93.9	Very high	94.9	Very high	13 Å²	13	25.3 Å²	25.3	6%	0.06	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	118.2	174.5	-174.4	97.2	0	0	0	111.5	Y288 R289 G293 I294 C296 D392 R394	H286-Y288 PolarHBondContact NE2-N 3.35Å; H286-R289 PolarHBondContact CD2-N 2.91Å; H286-R289 WeakPolarHBondContact NE2-CB 3.28Å; H286-R289 PolarHBondContact NE2-N 3.47Å; H286-G293 WeakPolarHBondContact O-CA 3.46Å; H286-I294 HydrophobicContact CB-CG2 4.26Å; H286-I294 PolarHBondContact N-O 3.38Å; H286-I294 PolarHBondContact O-N 3.4Å; H286-C296 VanDerWaalsContact CB-SG 3.52Å; H286-D392 IonicContact CE1-OD1 3.24Å; H286-D392 PolarHBondContact CE1-OD1 3.39Å; H286-D392 IonicContact CE1-OD2 2.74Å; H286-D392 IonicContact ND1-OD1 3.7Å; H286-D392 PolarHBondContact ND1-OD1 3.07Å; H286-D392 VanDerWaalsContact ND1-OD1 3.1Å; H286-R394 HydrophobicContact CB-CG 4.13Å; H286-R394 PolarHBondContact CE1-NE 3.29Å; H286-R394 PolarHBondContact NE2-NE 3.21Å
287	S	93	Very high	95.2	Very high	53 Å²	53	24 Å²	24	37%	0.371	11%	0.112	S	C	.	.			trans	-108.3	-12.4	179.8	58.6	0	0	0	0	115	H285 S492	H285-S287 WeakPolarHBondContact CE1-CB 3.29Å; S287-S492 WeakPolarHBondContact O-CB 3.32Å
288	Y	92.6	Very high	95.5	Very high	114 Å²	114	18.7 Å²	18.7	45%	0.447	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-35	-171.6	-175.7	-124.3	0	0	0	114	H286 S492 H494 Y495	H286-Y288 PolarHBondContact NE2-N 3.35Å; Y288-S492 WeakPolarHBondContact O-CB 3.29Å; Y288-S492 PolarHBondContact O-OG 3.39Å; Y288-H494 HydrophobicContact CE2-CB 4.44Å; Y288-Y495 AromaticContact CE1-CD2 3.96Å; Y288-Y495 HydrophobicContact CE1-CD2 3.96Å; Y288-Y495 HydrophobicContact CE2-CD2 4.47Å; Y288-Y495 AromaticContact CZ-CD2 3.84Å
289	R	93.5	Very high	95.8	Very high	43 Å²	43	17.9 Å²	17.9	16%	0.162	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	35.4	-176.6	-59.2	-59.6	-51.9	-75.9	-1.6	113.7	Q180 H286 E491 Y495	Q180-R289 PolarHBondContact NE2-O 2.76Å; H286-R289 PolarHBondContact CD2-N 2.91Å; H286-R289 WeakPolarHBondContact NE2-CB 3.28Å; H286-R289 PolarHBondContact NE2-N 3.47Å; R289-E491 WeakPolarHBondContact CA-OE2 3.46Å; R289-E491 IonicContact CZ-OE1 2.7Å; R289-E491 IonicContact CZ-OE2 2.57Å; R289-E491 IonicContact NE-OE1 3.8Å; R289-E491 PolarHBondContact NE-OE1 3.41Å; R289-E491 IonicContact NE-OE2 2.78Å; R289-E491 PolarHBondContact NE-OE2 3.37Å; R289-E491 IonicContact NH2-OE1 2.94Å; R289-E491 PolarHBondContact NH2-OE1 2.99Å; R289-E491 IonicContact NH2-OE2 3.53Å; R289-Y495 VanDerWaalsContact CD-CD2 3.5Å; R289-Y495 VanDerWaalsContact CZ-CZ 3.49Å; R289-Y495 PolarHBondContact NH2-OH 2.89Å
290	S	94.5	Very high	95.8	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.028	9%	0.086	C	C	.	.	S	Bend	trans	-152.4	159.3	168.8	172.9	0	0	0	0	108.4	G293 D490 E491 S492	S290-G293 PolarHBondContact OG-N 3.46Å; S290-D490 WeakPolarHBondContact CA-O 3.39Å; S290-D490 WeakPolarHBondContact CA-OD1 3.43Å; S290-D490 WeakPolarHBondContact CB-OD1 3.5Å; S290-D490 PolarHBondContact OG-OD1 3.36Å; S290-E491 CarbonylContact O-C 3.31Å; S290-S492 PolarHBondContact O-N 2.97Å
291	F	95.8	Very high	95.8	Very high	28 Å²	28	18 Å²	18	12%	0.123	9%	0.086	C	C	.	.	S	Bend	trans	-78.8	-53.7	177.7	179.3	-107.3	0	0	0	112.7	N189 G293 P448 A486 R487 D490	N189-F291 HydrophobicContact CB-CD1 3.87Å; N189-F291 HydrophobicContact CB-CG 4.46Å; F291-G293 VanDerWaalsContact C-N 3.31Å; F291-P448 HydrophobicContact CE1-CG 4.17Å; F291-P448 HydrophobicContact CZ-CG 4.39Å; F291-A486 HydrophobicContact CD2-CB 3.69Å; F291-A486 HydrophobicContact CE2-CB 4Å; F291-R487 HydrophobicContact CD1-CG 3.89Å; F291-R487 HydrophobicContact CD2-CG 4.16Å; F291-R487 HydrophobicContact CE1-CG 3.56Å; F291-R487 HydrophobicContact CE2-CG 3.83Å; F291-R487 HydrophobicContact CG-CG 4.19Å; F291-R487 HydrophobicContact CZ-CG 3.53Å; F291-R487 VanDerWaalsContact CZ-CZ 3.5Å; F291-D490 PolarHBondContact N-OD1 3.14Å
292	L	94.9	Very high	95.6	Very high	29 Å²	29	18.7 Å²	18.7	15%	0.152	9%	0.091	C	C	.	.	S	Bend	trans	-85	-6.5	176.9	-56.9	179.9	0	0	0	113.2	N189 R346 K447 P448	N189-L292 WeakPolarHBondContact OD1-CG 3.18Å; L292-R346 PolarHBondContact O-NH1 3.24Å; L292-K447 HydrophobicContact CD1-CG 4.38Å; L292-P448 VanDerWaalsContact CD2-CD 3.41Å; L292-P448 HydrophobicContact CD2-CG 3.74Å
293	G	94.7	Very high	95.1	Very high	3 Å²	3	21.3 Å²	21.3	3%	0.031	10%	0.104	C	C	.	.			trans	76.2	166.4	-169.8	0	0	0	0	0	113	H285 H286 S290 F291 R346	H285-G293 WeakPolarHBondContact CE1-CA 3.38Å; H285-G293 WeakPolarHBondContact NE2-CA 3.38Å; H285-G293 PolarHBondContact NE2-O 3.12Å; H286-G293 WeakPolarHBondContact O-CA 3.46Å; S290-G293 PolarHBondContact OG-N 3.46Å; F291-G293 VanDerWaalsContact C-N 3.31Å; G293-R346 PolarHBondContact O-NE 2.79Å
294	I	95.8	Very high	94.6	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	133.4	-175.3	-178.8	162.3	0	0	0	112.6	Q180 F183 H285 H286 C296 L312	Q180-I294 HydrophobicContact CG-CD1 4.32Å; F183-I294 HydrophobicContact CE2-CD1 3.45Å; F183-I294 VanDerWaalsContact CE2-CD1 3.45Å; F183-I294 HydrophobicContact CZ-CD1 3.41Å; F183-I294 VanDerWaalsContact CZ-CD1 3.41Å; H285-I294 PolarHBondContact CD2-O 2.92Å; H285-I294 PolarHBondContact NE2-N 3.09Å; H286-I294 HydrophobicContact CB-CG2 4.26Å; H286-I294 PolarHBondContact N-O 3.38Å; H286-I294 PolarHBondContact O-N 3.4Å; I294-C296 PolarHBondContact O-SG 2.89Å; I294-L312 HydrophobicContact CD1-CD2 3.63Å; I294-L312 HydrophobicContact CG1-CD2 3.96Å
295	T	97.1	Very high	94.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.3	168.8	-63.9	0	0	0	0	109.9	L283 L297 I298 A311 W343 D347 F348	L283-T295 HydrophobicContact CB-CG2 4.3Å; L283-T295 HydrophobicContact CD2-CG2 3.79Å; L283-T295 HydrophobicContact CG-CG2 3.98Å; T295-L297 VanDerWaalsContact CG2-O 3.27Å; T295-L297 WeakPolarHBondContact CG2-O 2.96Å; T295-I298 HydrophobicContact CG2-CG1 4.2Å; T295-A311 HydrophobicContact CG2-CB 4.17Å; T295-W343 WeakPolarHBondContact OG1-CB 3.46Å; T295-D347 PolarHBondContact N-OD2 3.2Å; T295-F348 HydrophobicContact CG2-CE2 3.9Å; T295-F348 HydrophobicContact CG2-CZ 4.03Å
296	C	96.7	Very high	94.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	-18.7	-172.1	-62.6	0	0	0	0	113.5	E284 H286 I294 L312 W393 R394 R396	E284-C296 PolarHBondContact O-N 2.75Å; H286-C296 VanDerWaalsContact CB-SG 3.52Å; I294-C296 PolarHBondContact O-SG 2.89Å; C296-L312 HydrophobicContact CB-CD1 4.3Å; C296-L312 HydrophobicContact CB-CD2 4.39Å; C296-L312 HydrophobicContact CB-CG 4.36Å; C296-W393 HydrophobicContact CB-CB 3.73Å; C296-W393 WeakPolarHBondContact CB-O 3.18Å; C296-R394 VanDerWaalsContact SG-CG 3.55Å; C296-R396 PolarHBondContact O-NH2 2.82Å
297	L	97.4	Very high	94.7	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	150.4	179.1	-146.4	64.1	0	0	0	108.6	E284 T295 Q299 I308 W393 L398 A406	E284-L297 HydrophobicContact CB-CB 3.84Å; E284-L297 HydrophobicContact CG-CB 4.39Å; E284-L297 PolarHBondContact N-O 3.05Å; E284-L297 PolarHBondContact O-N 2.91Å; T295-L297 VanDerWaalsContact CG2-O 3.27Å; T295-L297 WeakPolarHBondContact CG2-O 2.96Å; L297-Q299 HydrophobicContact CD2-CG 4.39Å; L297-I308 HydrophobicContact CD1-CG2 3.79Å; L297-I308 HydrophobicContact CD2-CG2 3.86Å; L297-I308 HydrophobicContact CG-CG2 3.94Å; L297-W393 HydrophobicContact CD2-CE3 4.34Å; L297-W393 HydrophobicContact CD2-CZ3 4.17Å; L297-L398 HydrophobicContact CD1-CD1 3.71Å; L297-L398 HydrophobicContact CD2-CD1 4.12Å; L297-A406 HydrophobicContact CD2-CB 3.87Å
298	I	98	Very high	94.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.9	162	-61.2	165	0	0	0	106.4	V281 L283 T295 M300 I309 A311 L318 L321 L344 F348	V281-I298 HydrophobicContact CG1-CG2 4.17Å; L283-I298 HydrophobicContact CD1-CG1 4.47Å; L283-I298 HydrophobicContact CD1-CG2 4.37Å; L283-I298 HydrophobicContact CG-CG1 4.15Å; T295-I298 HydrophobicContact CG2-CG1 4.2Å; I298-M300 HydrophobicContact CG2-CG 4.09Å; I298-I309 HydrophobicContact CB-CB 4.27Å; I298-I309 HydrophobicContact CG2-CD1 4.45Å; I298-I309 PolarHBondContact N-O 2.87Å; I298-I309 WeakPolarHBondContact O-CB 3.43Å; I298-I309 PolarHBondContact O-N 3.3Å; I298-A311 HydrophobicContact CD1-CB 4.26Å; I298-A311 HydrophobicContact CG1-CB 4.11Å; I298-L318 HydrophobicContact CD1-CD1 3.73Å; I298-L318 HydrophobicContact CD1-CD2 4.23Å; I298-L321 HydrophobicContact CD1-CD1 3.87Å; I298-L344 HydrophobicContact CD1-CD2 4.41Å; I298-F348 HydrophobicContact CD1-CD2 4.39Å; I298-F348 HydrophobicContact CD1-CE2 4.07Å
299	Q	97.5	Very high	95.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	138.4	175	-53.5	96.8	-97.5	0	0	108.8	V281 D282 L297 I308 A406 T410	V281-Q299 WeakPolarHBondContact CA-O 3Å; D282-Q299 HydrophobicContact CB-CB 4.44Å; D282-Q299 PolarHBondContact N-O 3.02Å; D282-Q299 VanDerWaalsContact N-O 3.08Å; D282-Q299 PolarHBondContact O-N 3.29Å; D282-Q299 PolarHBondContact O-OE1 3.1Å; D282-Q299 PolarHBondContact OD2-NE2 3.19Å; L297-Q299 HydrophobicContact CD2-CG 4.39Å; Q299-I308 HydrophobicContact CB-CD1 4.04Å; Q299-I308 HydrophobicContact CG-CD1 3.59Å; Q299-A406 HydrophobicContact CG-CB 3.82Å; Q299-A406 WeakPolarHBondContact CG-O 3.46Å; Q299-T410 HydrophobicContact CB-CG2 3.72Å
300	M	97.3	Very high	95.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	134.9	174.3	-57.1	-175.7	69.3	0	0	110.9	L273 I279 A280 V281 I298 Y307 I309 L321 F325	L273-M300 HydrophobicContact CD1-CE 3.77Å; L273-M300 HydrophobicContact CD1-SD 3.96Å; L273-M300 HydrophobicContact CD2-CE 3.86Å; L273-M300 HydrophobicContact CG-CE 4.45Å; I279-M300 HydrophobicContact CD1-CE 3.45Å; I279-M300 VanDerWaalsContact CD1-CE 3.45Å; A280-M300 CarbonylContact O-C 3.49Å; A280-M300 WeakPolarHBondContact O-CA 3.16Å; V281-M300 HydrophobicContact CG1-CG 4.42Å; V281-M300 HydrophobicContact CG2-CE 4Å; V281-M300 HydrophobicContact CG2-CG 4.32Å; I298-M300 HydrophobicContact CG2-CG 4.09Å; M300-Y307 HydrophobicContact CB-CD2 4.37Å; M300-Y307 PolarHBondContact N-O 3.06Å; M300-Y307 PolarHBondContact O-N 3.38Å; M300-I309 HydrophobicContact CG-CD1 4.1Å; M300-I309 HydrophobicContact SD-CD1 3.66Å; M300-L321 HydrophobicContact SD-CD2 4.33Å; M300-F325 HydrophobicContact CE-CE1 3.52Å; M300-F325 HydrophobicContact CE-CZ 3.99Å; M300-F325 HydrophobicContact SD-CE1 4.08Å; M300-F325 HydrophobicContact SD-CZ 4.22Å
301	S	95.4	Very high	95.5	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.007	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	134.8	174.4	-63	0	0	0	0	111.4	A280 D306 T410 H411	A280-S301 PolarHBondContact N-O 2.82Å; A280-S301 PolarHBondContact O-N 2.92Å; S301-D306 VanDerWaalsContact CB-OD1 3.31Å; S301-D306 WeakPolarHBondContact CB-OD1 3.19Å; S301-D306 PolarHBondContact OG-OD1 3.41Å; S301-T410 VanDerWaalsContact OG-CB 3.3Å; S301-T410 WeakPolarHBondContact OG-CB 3.28Å; S301-T410 PolarHBondContact OG-OG1 3.13Å; S301-H411 WeakPolarHBondContact OG-CA 3.35Å; S301-H411 PolarHBondContact OG-N 3.1Å
302	T	93.7	Very high	95.5	Very high	16 Å²	16	13.2 Å²	13.2	10%	0.098	9%	0.086	C	C	.	.			trans	-103	179.3	168.6	60.8	0	0	0	0	109.4	L273 I279 G304 S305 Y307	L273-T302 HydrophobicContact CD2-CG2 3.8Å; I279-T302 HydrophobicContact CG2-CG2 4.22Å; T302-G304 PolarHBondContact O-N 3.4Å; T302-G304 PolarHBondContact OG1-N 2.88Å; T302-S305 PolarHBondContact N-O 2.89Å; T302-S305 PolarHBondContact OG1-N 2.74Å; T302-S305 PolarHBondContact OG1-O 3.38Å; T302-Y307 HydrophobicContact CG2-CE2 3.85Å
303	L	88.9	Confident	95.5	Very high	76 Å²	76	14.5 Å²	14.5	40%	0.398	10%	0.101	S	C	.	.	S	Bend	trans	-66.5	-16.5	167.8	-59.8	176.7	0	0	0	112.8	F248 K251 L414	F248-L303 HydrophobicContact CB-CD2 4.07Å; F248-L303 HydrophobicContact CD1-CD1 3.78Å; F248-L303 HydrophobicContact CD1-CD2 3.53Å; F248-L303 HydrophobicContact CD1-CG 4.33Å; F248-L303 HydrophobicContact CD2-CD2 4Å; F248-L303 HydrophobicContact CE1-CD1 3.56Å; F248-L303 HydrophobicContact CE1-CD2 3.92Å; F248-L303 HydrophobicContact CE1-CG 4.39Å; F248-L303 HydrophobicContact CE2-CD2 4.35Å; F248-L303 HydrophobicContact CG-CD2 3.58Å; F248-L303 HydrophobicContact CZ-CD1 4.26Å; F248-L303 HydrophobicContact CZ-CD2 4.33Å; K251-L303 WeakPolarHBondContact CE-O 3.44Å; K251-L303 PolarHBondContact NZ-O 3.36Å; L303-L414 HydrophobicContact CD2-CB 4.33Å; L303-L414 HydrophobicContact CD2-CD1 3.79Å; L303-L414 HydrophobicContact CG-CD1 4.19Å
304	G	87.1	Confident	95.5	Very high	48 Å²	48	14.5 Å²	14.5	50%	0.495	10%	0.101	S	C	.	.	S	Bend	trans	-97.2	-49.5	-176.2	0	0	0	0	0	114.1	K251 T302	K251-G304 PolarHBondContact NZ-O 3.23Å; T302-G304 PolarHBondContact O-N 3.4Å; T302-G304 PolarHBondContact OG1-N 2.88Å
305	S	92.3	Very high	95.5	Very high	55 Å²	55	15.5 Å²	15.5	39%	0.385	10%	0.104	S	C	.	.			trans	-151.1	154.4	-164.3	-55.5	0	0	0	0	112.8	T302	T302-S305 PolarHBondContact N-O 2.89Å; T302-S305 PolarHBondContact OG1-N 2.74Å; T302-S305 PolarHBondContact OG1-O 3.38Å
306	D	95.5	Very high	95.3	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.021	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	142.3	169.8	-58	-42.3	0	0	0	111.5	Y257 Q258 S301 R407 H411	Y257-D306 WeakPolarHBondContact CA-O 3.32Å; Q258-D306 PolarHBondContact N-O 2.76Å; S301-D306 VanDerWaalsContact CB-OD1 3.31Å; S301-D306 WeakPolarHBondContact CB-OD1 3.19Å; S301-D306 PolarHBondContact OG-OD1 3.41Å; D306-R407 HydrophobicContact CB-CG 4.27Å; D306-R407 IonicContact OD2-CZ 2.76Å; D306-R407 VanDerWaalsContact OD2-CZ 3.23Å; D306-R407 IonicContact OD2-NE 3.58Å; D306-R407 PolarHBondContact OD2-NE 2.56Å; D306-R407 IonicContact OD2-NH2 3.62Å; D306-R407 PolarHBondContact OD2-NH2 3.45Å; D306-H411 IonicContact OD1-CG 2.81Å; D306-H411 IonicContact OD1-ND1 3.63Å; D306-H411 PolarHBondContact OD1-ND1 3.45Å; D306-H411 IonicContact OD2-CE1 3.52Å; D306-H411 IonicContact OD2-CG 3.4Å; D306-H411 IonicContact OD2-ND1 2.7Å; D306-H411 PolarHBondContact OD2-ND1 3.18Å
307	Y	96.8	Very high	95.2	Very high	11 Å²	11	23 Å²	23	4%	0.043	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	133.1	177.4	-53.7	-78.3	0	0	0	110	Q258 I269 L273 M300 T302	Q258-Y307 HydrophobicContact CB-CD1 3.88Å; Q258-Y307 HydrophobicContact CB-CE1 4.2Å; Q258-Y307 HydrophobicContact CG-CD1 4.45Å; Q258-Y307 WeakPolarHBondContact O-CA 3.2Å; I269-Y307 HydrophobicContact CB-CD1 4.1Å; I269-Y307 HydrophobicContact CB-CE1 4.06Å; I269-Y307 HydrophobicContact CD1-CD1 4.45Å; I269-Y307 HydrophobicContact CD1-CG 4.44Å; I269-Y307 HydrophobicContact CG2-CD1 3.43Å; I269-Y307 VanDerWaalsContact CG2-CD1 3.43Å; I269-Y307 HydrophobicContact CG2-CE1 3.41Å; I269-Y307 VanDerWaalsContact CG2-CE1 3.41Å; I269-Y307 HydrophobicContact CG2-CG 4.39Å; L273-Y307 HydrophobicContact CD2-CD2 4.42Å; L273-Y307 HydrophobicContact CD2-CE2 4.22Å; M300-Y307 HydrophobicContact CB-CD2 4.37Å; M300-Y307 PolarHBondContact N-O 3.06Å; M300-Y307 PolarHBondContact O-N 3.38Å; T302-Y307 HydrophobicContact CG2-CE2 3.85Å
308	I	97.2	Very high	95.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	107	175.2	-64.2	-63.8	0	0	0	107.7	Y257 Q258 Y259 V260 L297 Q299 I403 A406 R407	Y257-I308 HydrophobicContact CD2-CG1 4.32Å; Q258-I308 PolarHBondContact O-N 2.96Å; Y259-I308 WeakPolarHBondContact CA-O 3.33Å; Y259-I308 HydrophobicContact CD2-CB 4.12Å; Y259-I308 HydrophobicContact CD2-CG2 3.77Å; Y259-I308 HydrophobicContact CE2-CG2 3.76Å; V260-I308 PolarHBondContact N-O 3.5Å; L297-I308 HydrophobicContact CD1-CG2 3.79Å; L297-I308 HydrophobicContact CD2-CG2 3.86Å; L297-I308 HydrophobicContact CG-CG2 3.94Å; Q299-I308 HydrophobicContact CB-CD1 4.04Å; Q299-I308 HydrophobicContact CG-CD1 3.59Å; I308-I403 HydrophobicContact CG1-CG2 4.47Å; I308-A406 HydrophobicContact CD1-CB 4.16Å; I308-R407 HydrophobicContact CD1-CG 3.78Å; I308-R407 HydrophobicContact CG1-CG 3.89Å
309	I	98	Very high	95	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.1	-169.5	-49.7	172.9	0	0	0	109.7	V260 I269 I298 M300 A311 L314 L318	V260-I309 HydrophobicContact CB-CB 4.44Å; V260-I309 HydrophobicContact CB-CG1 4.17Å; V260-I309 HydrophobicContact CB-CG2 4.37Å; V260-I309 HydrophobicContact CG1-CG1 4.47Å; V260-I309 HydrophobicContact CG1-CG2 4.19Å; V260-I309 CarbonylContact O-C 3.49Å; V260-I309 WeakPolarHBondContact O-CA 3Å; I269-I309 HydrophobicContact CD1-CD1 3.63Å; I269-I309 HydrophobicContact CD1-CG1 4.02Å; I298-I309 HydrophobicContact CB-CB 4.27Å; I298-I309 HydrophobicContact CG2-CD1 4.45Å; I298-I309 PolarHBondContact N-O 2.87Å; I298-I309 WeakPolarHBondContact O-CB 3.43Å; I298-I309 PolarHBondContact O-N 3.3Å; M300-I309 HydrophobicContact CG-CD1 4.1Å; M300-I309 HydrophobicContact SD-CD1 3.66Å; I309-A311 PolarHBondContact O-N 2.77Å; I309-L314 HydrophobicContact CG2-CD1 3.8Å; I309-L318 HydrophobicContact CG2-CD2 3.84Å
310	D	97.5	Very high	95	Very high	13 Å²	13	27 Å²	27	7%	0.07	17%	0.166	C	C	.	.			trans	-75.3	90.5	178	-168	-21.7	0	0	0	111	Y259 V260 D261 L312 A313 L314 R396	Y259-D310 HydrophobicContact CE1-CB 4.38Å; Y259-D310 PolarHBondContact OH-OD2 3.36Å; V260-D310 PolarHBondContact O-N 3.47Å; D261-D310 HydrophobicContact CB-CB 4.06Å; D310-L312 PolarHBondContact O-N 2.9Å; D310-L312 VanDerWaalsContact O-N 3.17Å; D310-L312 WeakPolarHBondContact OD1-CB 3.39Å; D310-L312 PolarHBondContact OD1-N 3.24Å; D310-A313 HydrophobicContact CB-CB 3.99Å; D310-A313 PolarHBondContact O-N 2.78Å; D310-A313 PolarHBondContact OD1-N 2.99Å; D310-A313 VanDerWaalsContact OD1-N 3.13Å; D310-L314 WeakPolarHBondContact O-CB 3.4Å; D310-L314 PolarHBondContact O-N 3.46Å; D310-R396 IonicContact OD1-CZ 2.89Å; D310-R396 IonicContact OD1-NE 2.75Å; D310-R396 IonicContact OD1-NH2 2.68Å; D310-R396 PolarHBondContact OD1-NH2 2.94Å; D310-R396 IonicContact OD2-CZ 2.72Å; D310-R396 IonicContact OD2-NE 2.78Å; D310-R396 PolarHBondContact OD2-NE 2.83Å; D310-R396 IonicContact OD2-NH2 2.63Å; D310-R396 PolarHBondContact OD2-NH2 3.45Å
311	A	97.1	Very high	95	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-6.4	-178.9	0	0	0	0	0	114.7	T295 I298 I309 L318 F348	T295-A311 HydrophobicContact CG2-CB 4.17Å; I298-A311 HydrophobicContact CD1-CB 4.26Å; I298-A311 HydrophobicContact CG1-CB 4.11Å; I309-A311 PolarHBondContact O-N 2.77Å; A311-L318 HydrophobicContact CB-CD1 3.77Å; A311-F348 HydrophobicContact CB-CE1 4.3Å; A311-F348 HydrophobicContact CB-CZ 3.75Å
312	L	96.1	Very high	95	Very high	18 Å²	18	27 Å²	27	9%	0.094	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-42.5	169.7	-56.5	176.9	0	0	0	110.8	P179 F183 I294 C296 D310 R394	P179-L312 HydrophobicContact CB-CB 4.26Å; P179-L312 HydrophobicContact CB-CD1 4.02Å; P179-L312 HydrophobicContact CB-CD2 4.05Å; P179-L312 HydrophobicContact CB-CG 4.34Å; P179-L312 HydrophobicContact CG-CD1 3.96Å; P179-L312 HydrophobicContact CG-CD2 3.9Å; P179-L312 HydrophobicContact CG-CG 4.47Å; F183-L312 WeakPolarHBondContact CE1-O 3.26Å; F183-L312 HydrophobicContact CZ-CD2 4.32Å; I294-L312 HydrophobicContact CD1-CD2 3.63Å; I294-L312 HydrophobicContact CG1-CD2 3.96Å; C296-L312 HydrophobicContact CB-CD1 4.3Å; C296-L312 HydrophobicContact CB-CD2 4.39Å; C296-L312 HydrophobicContact CB-CG 4.36Å; D310-L312 PolarHBondContact O-N 2.9Å; D310-L312 VanDerWaalsContact O-N 3.17Å; D310-L312 WeakPolarHBondContact OD1-CB 3.39Å; D310-L312 PolarHBondContact OD1-N 3.24Å; L312-R394 HydrophobicContact CD1-CB 4.34Å; L312-R394 HydrophobicContact CD1-CG 4.5Å
313	A	95	Very high	95.2	Very high	57 Å²	57	31.2 Å²	31.2	47%	0.471	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-42.2	177.1	0	0	0	0	0	112.3	D261 D310	D261-A313 HydrophobicContact CB-CB 4.45Å; D310-A313 HydrophobicContact CB-CB 3.99Å; D310-A313 PolarHBondContact O-N 2.78Å; D310-A313 PolarHBondContact OD1-N 2.99Å; D310-A313 VanDerWaalsContact OD1-N 3.13Å
314	L	95.7	Very high	95.5	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	17%	0.165	C	C	.	.	S	Bend	trans	-95.1	11.8	-172.5	-67.8	169.3	0	0	0	114.5	V260 L266 I309 D310 D316 H317 L318	V260-L314 HydrophobicContact CG1-CD1 3.9Å; V260-L314 VanDerWaalsContact O-CD1 3.31Å; V260-L314 WeakPolarHBondContact O-CD1 3.43Å; L266-L314 HydrophobicContact CB-CD1 4.25Å; L266-L314 HydrophobicContact CD2-CD1 4.29Å; L266-L314 HydrophobicContact CD2-CD2 4.35Å; I309-L314 HydrophobicContact CG2-CD1 3.8Å; D310-L314 WeakPolarHBondContact O-CB 3.4Å; D310-L314 PolarHBondContact O-N 3.46Å; L314-D316 VanDerWaalsContact C-N 3.33Å; L314-D316 PolarHBondContact O-N 2.82Å; L314-D316 VanDerWaalsContact O-N 3.13Å; L314-H317 WeakPolarHBondContact O-CA 3.22Å; L314-H317 PolarHBondContact O-N 3.48Å; L314-L318 HydrophobicContact CB-CD1 4.47Å; L314-L318 HydrophobicContact CB-CD2 4.27Å; L314-L318 HydrophobicContact CB-CG 4.02Å; L314-L318 WeakPolarHBondContact O-CG 3.4Å; L314-L318 PolarHBondContact O-N 2.89Å
315	R	94.8	Very high	96	Very high	23 Å²	23	25.3 Å²	25.3	9%	0.087	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-46	-168.8	-176.2	171	-173.4	80.7	-3.4	114.9	F183 H317 D347 F348	F183-R315 HydrophobicContact CD1-CB 4.47Å; F183-R315 VanDerWaalsContact CD2-CD 3.48Å; F183-R315 HydrophobicContact CE1-CB 4.42Å; F183-R315 VanDerWaalsContact CE2-CD 3.41Å; R315-H317 VanDerWaalsContact C-N 3.29Å; R315-H317 PolarHBondContact O-N 2.79Å; R315-D347 IonicContact CZ-OD1 3.61Å; R315-D347 IonicContact NH1-OD1 3.48Å; R315-D347 PolarHBondContact NH1-OD1 3.44Å; R315-D347 IonicContact NH1-OD2 3.6Å; R315-D347 PolarHBondContact NH1-OD2 2.99Å; R315-D347 VanDerWaalsContact NH2-CG 3.35Å; R315-D347 IonicContact NH2-OD1 2.74Å; R315-D347 PolarHBondContact NH2-OD1 2.97Å; R315-F348 HydrophobicContact CB-CE1 4.41Å; R315-F348 HydrophobicContact CG-CD1 4.29Å; R315-F348 HydrophobicContact CG-CE1 4.04Å
316	D	93.2	Very high	96.2	Very high	70 Å²	70	22.8 Å²	22.8	37%	0.374	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-10.7	-178.1	-66.9	-45.9	0	0	0	113.3	T184 L314	T184-D316 WeakPolarHBondContact CB-OD2 3.2Å; T184-D316 PolarHBondContact OG1-OD2 2.89Å; L314-D316 VanDerWaalsContact C-N 3.33Å; L314-D316 PolarHBondContact O-N 2.82Å; L314-D316 VanDerWaalsContact O-N 3.13Å
317	H	95.2	Very high	96.2	Very high	86 Å²	86	23.6 Å²	23.6	40%	0.398	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-26.2	-177.3	-61.1	-67.4	0	0	0	114.2	L263 L266 L314 R315 S319 I320	L263-H317 HydrophobicContact CD1-CB 4.06Å; L266-H317 HydrophobicContact CD2-CB 4.11Å; L314-H317 WeakPolarHBondContact O-CA 3.22Å; L314-H317 PolarHBondContact O-N 3.48Å; R315-H317 VanDerWaalsContact C-N 3.29Å; R315-H317 PolarHBondContact O-N 2.79Å; H317-S319 PolarHBondContact O-N 2.96Å; H317-I320 WeakPolarHBondContact O-CG2 3.21Å; H317-I320 PolarHBondContact O-N 3.48Å; H317-I320 VanDerWaalsContact O-N 3.12Å
318	L	96.7	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-59.1	-11.9	-174.7	-74.8	172.6	0	0	0	115.6	L266 I298 I309 A311 L314 I320 L321 F348 V350	L266-L318 HydrophobicContact CD1-CD2 4.22Å; L266-L318 HydrophobicContact CD2-CD2 4.27Å; I298-L318 HydrophobicContact CD1-CD1 3.73Å; I298-L318 HydrophobicContact CD1-CD2 4.23Å; I309-L318 HydrophobicContact CG2-CD2 3.84Å; A311-L318 HydrophobicContact CB-CD1 3.77Å; L314-L318 HydrophobicContact CB-CD1 4.47Å; L314-L318 HydrophobicContact CB-CD2 4.27Å; L314-L318 HydrophobicContact CB-CG 4.02Å; L314-L318 WeakPolarHBondContact O-CG 3.4Å; L314-L318 PolarHBondContact O-N 2.89Å; L318-I320 PolarHBondContact O-N 2.77Å; L318-I320 VanDerWaalsContact O-N 3.09Å; L318-L321 HydrophobicContact CB-CD1 4.41Å; L318-L321 HydrophobicContact CD2-CD1 3.91Å; L318-L321 HydrophobicContact CD2-CG 4.21Å; L318-L321 VanDerWaalsContact O-CB 3.29Å; L318-L321 WeakPolarHBondContact O-CB 3.25Å; L318-L321 VanDerWaalsContact O-CG 3.31Å; L318-L321 WeakPolarHBondContact O-CG 3.48Å; L318-L321 PolarHBondContact O-N 3.3Å; L318-F348 HydrophobicContact CB-CB 4.01Å; L318-F348 HydrophobicContact CB-CD1 3.87Å; L318-F348 HydrophobicContact CB-CG 3.92Å; L318-F348 HydrophobicContact CD1-CD1 3.63Å; L318-F348 HydrophobicContact CD1-CD2 4.34Å; L318-F348 HydrophobicContact CD1-CE1 3.51Å; L318-F348 HydrophobicContact CD1-CE2 4.25Å; L318-F348 HydrophobicContact CD1-CG 4.07Å; L318-F348 HydrophobicContact CD1-CZ 3.86Å; L318-F348 HydrophobicContact CG-CD1 4.37Å; L318-V350 VanDerWaalsContact O-CG2 3.28Å; L318-V350 WeakPolarHBondContact O-CG2 3.31Å
319	S	95.1	Very high	95.7	Very high	47 Å²	47	33.6 Å²	33.6	33%	0.329	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-55.9	-21.1	169.8	68.4	0	0	0	0	114	H317 L321 N322	H317-S319 PolarHBondContact O-N 2.96Å; S319-L321 PolarHBondContact O-N 3.14Å; S319-N322 WeakPolarHBondContact O-CB 3.42Å; S319-N322 PolarHBondContact O-N 3.15Å; S319-N322 PolarHBondContact O-ND2 2.71Å
320	I	96.1	Very high	95.5	Very high	39 Å²	39	33.9 Å²	33.9	20%	0.2	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-60.9	-27.6	172	-162.9	172.4	0	0	0	113.1	L266 E267 M270 H317 L318 N322 E323	L266-I320 HydrophobicContact CD1-CG2 4.5Å; L266-I320 HydrophobicContact CD2-CG2 3.77Å; L266-I320 HydrophobicContact CG-CG2 4.04Å; E267-I320 HydrophobicContact CG-CD1 4.37Å; M270-I320 HydrophobicContact CE-CG1 4.4Å; M270-I320 VanDerWaalsContact CE-O 3.25Å; M270-I320 WeakPolarHBondContact CE-O 3.1Å; M270-I320 HydrophobicContact CG-CD1 4.31Å; M270-I320 HydrophobicContact CG-CG1 4.37Å; M270-I320 HydrophobicContact CG-CG2 4.22Å; H317-I320 WeakPolarHBondContact O-CG2 3.21Å; H317-I320 PolarHBondContact O-N 3.48Å; H317-I320 VanDerWaalsContact O-N 3.12Å; L318-I320 PolarHBondContact O-N 2.77Å; L318-I320 VanDerWaalsContact O-N 3.09Å; I320-N322 PolarHBondContact O-N 2.99Å; I320-E323 PolarHBondContact O-N 3.21Å
321	L	97.2	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-55.2	-26.3	178.9	-69.3	178.7	0	0	0	112.6	M270 I298 M300 L318 S319 E323 V324 F325 V350	M270-L321 HydrophobicContact SD-CD2 3.84Å; I298-L321 HydrophobicContact CD1-CD1 3.87Å; M300-L321 HydrophobicContact SD-CD2 4.33Å; L318-L321 HydrophobicContact CB-CD1 4.41Å; L318-L321 HydrophobicContact CD2-CD1 3.91Å; L318-L321 HydrophobicContact CD2-CG 4.21Å; L318-L321 VanDerWaalsContact O-CB 3.29Å; L318-L321 WeakPolarHBondContact O-CB 3.25Å; L318-L321 VanDerWaalsContact O-CG 3.31Å; L318-L321 WeakPolarHBondContact O-CG 3.48Å; L318-L321 PolarHBondContact O-N 3.3Å; S319-L321 PolarHBondContact O-N 3.14Å; L321-E323 PolarHBondContact O-N 3.2Å; L321-E323 VanDerWaalsContact O-N 3.13Å; L321-V324 PolarHBondContact O-N 3.1Å; L321-V324 VanDerWaalsContact O-N 3.12Å; L321-F325 HydrophobicContact CB-CD1 3.94Å; L321-F325 HydrophobicContact CB-CE1 3.98Å; L321-F325 HydrophobicContact CB-CG 4.32Å; L321-F325 HydrophobicContact CB-CZ 4.39Å; L321-F325 HydrophobicContact CD1-CE1 4.27Å; L321-F325 HydrophobicContact CD1-CE2 4.48Å; L321-F325 HydrophobicContact CD1-CZ 4.02Å; L321-F325 HydrophobicContact CD2-CE1 3.94Å; L321-F325 HydrophobicContact CD2-CZ 4.42Å; L321-F325 HydrophobicContact CG-CE1 4.29Å; L321-F325 WeakPolarHBondContact O-CB 3.44Å; L321-F325 WeakPolarHBondContact O-CD1 3.38Å; L321-F325 PolarHBondContact O-N 3.22Å; L321-V350 HydrophobicContact CB-CG1 4.06Å; L321-V350 HydrophobicContact CB-CG2 4.02Å
322	N	97	Very high	95.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-52.2	-32.6	174.5	-75.5	-67	0	0	0	112.7	P202 S319 I320 V324 F325 T326 G349 V350 Y351	P202-N322 HydrophobicContact CG-CB 3.63Å; S319-N322 WeakPolarHBondContact O-CB 3.42Å; S319-N322 PolarHBondContact O-N 3.15Å; S319-N322 PolarHBondContact O-ND2 2.71Å; I320-N322 PolarHBondContact O-N 2.99Å; N322-V324 PolarHBondContact O-N 3.49Å; N322-F325 PolarHBondContact O-N 3.1Å; N322-T326 HydrophobicContact CB-CG2 4.3Å; N322-T326 WeakPolarHBondContact O-CB 3.13Å; N322-T326 PolarHBondContact O-N 2.94Å; N322-T326 PolarHBondContact O-OG1 3.2Å; N322-G349 PolarHBondContact ND2-O 2.89Å; N322-V350 WeakPolarHBondContact OD1-CA 3.42Å; N322-Y351 PolarHBondContact OD1-N 3.03Å
323	E	96.3	Very high	95.3	Very high	104 Å²	104	32.7 Å²	32.7	49%	0.486	17%	0.173	S	C	.	.	H	α-helix	trans	-57.2	-34.9	179.9	-67.3	179.6	-175.8	0	0	113	P202 N203 M270 I320 L321	P202-E323 HydrophobicContact CB-CG 3.99Å; P202-E323 HydrophobicContact CG-CG 4.01Å; N203-E323 PolarHBondContact ND2-O 2.88Å; M270-E323 HydrophobicContact CE-CB 3.82Å; I320-E323 PolarHBondContact O-N 3.21Å; L321-E323 PolarHBondContact O-N 3.2Å; L321-E323 VanDerWaalsContact O-N 3.13Å
324	V	96.6	Very high	95.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-99.3	-38.8	177.1	169.5	0	0	0	0	111.2	M270 L273 I279 L321 N322 T326 D327 I330 K332	M270-V324 HydrophobicContact CE-CB 4.15Å; M270-V324 HydrophobicContact CE-CG2 3.66Å; M270-V324 HydrophobicContact SD-CG2 4.5Å; L273-V324 HydrophobicContact CB-CG1 4.26Å; L273-V324 HydrophobicContact CB-CG2 4Å; I279-V324 HydrophobicContact CD1-CG1 3.61Å; L321-V324 PolarHBondContact O-N 3.1Å; L321-V324 VanDerWaalsContact O-N 3.12Å; N322-V324 PolarHBondContact O-N 3.49Å; V324-T326 VanDerWaalsContact C-N 3.26Å; V324-T326 PolarHBondContact O-N 3.14Å; V324-D327 PolarHBondContact O-N 2.87Å; V324-I330 HydrophobicContact CG1-CD1 3.97Å; V324-I330 HydrophobicContact CG1-CG2 4.29Å; V324-I330 HydrophobicContact CG2-CD1 4.45Å; V324-K332 PolarHBondContact O-NZ 2.7Å
325	F	97.2	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-69.6	-24.9	-175.8	-75.9	43.4	0	0	0	111.8	I279 V281 M300 L321 N322 K332 L344 V350 Y351 V352 V353	I279-F325 HydrophobicContact CD1-CD1 4.48Å; I279-F325 HydrophobicContact CD1-CE1 4.31Å; V281-F325 HydrophobicContact CG1-CE2 4.2Å; V281-F325 HydrophobicContact CG1-CZ 3.99Å; V281-F325 HydrophobicContact CG2-CZ 4.1Å; M300-F325 HydrophobicContact CE-CE1 3.52Å; M300-F325 HydrophobicContact CE-CZ 3.99Å; M300-F325 HydrophobicContact SD-CE1 4.08Å; M300-F325 HydrophobicContact SD-CZ 4.22Å; L321-F325 HydrophobicContact CB-CD1 3.94Å; L321-F325 HydrophobicContact CB-CE1 3.98Å; L321-F325 HydrophobicContact CB-CG 4.32Å; L321-F325 HydrophobicContact CB-CZ 4.39Å; L321-F325 HydrophobicContact CD1-CE1 4.27Å; L321-F325 HydrophobicContact CD1-CE2 4.48Å; L321-F325 HydrophobicContact CD1-CZ 4.02Å; L321-F325 HydrophobicContact CD2-CE1 3.94Å; L321-F325 HydrophobicContact CD2-CZ 4.42Å; L321-F325 HydrophobicContact CG-CE1 4.29Å; L321-F325 WeakPolarHBondContact O-CB 3.44Å; L321-F325 WeakPolarHBondContact O-CD1 3.38Å; L321-F325 PolarHBondContact O-N 3.22Å; N322-F325 PolarHBondContact O-N 3.1Å; F325-K332 WeakPolarHBondContact O-CE 3.16Å; F325-K332 PolarHBondContact O-NZ 3.31Å; F325-K332 VanDerWaalsContact O-NZ 3.07Å; F325-L344 HydrophobicContact CD2-CD1 4.32Å; F325-L344 HydrophobicContact CE2-CD1 4.04Å; F325-L344 HydrophobicContact CE2-CD2 4.33Å; F325-V350 HydrophobicContact CB-CG1 4.18Å; F325-V350 HydrophobicContact CD2-CG1 3.52Å; F325-V350 HydrophobicContact CE2-CG1 4.11Å; F325-V350 HydrophobicContact CG-CG1 4Å; F325-Y351 WeakPolarHBondContact CB-O 3.5Å; F325-V352 HydrophobicContact CB-CG2 4.5Å; F325-V352 HydrophobicContact CD2-CG2 3.9Å; F325-V352 WeakPolarHBondContact O-CA 3.34Å; F325-V353 PolarHBondContact O-N 3.27Å
326	T	96.3	Very high	95.5	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	17%	0.167	C	C	.	.	S	Bend	trans	-106.3	-1.5	177.7	73.4	0	0	0	0	114.9	P202 N203 Y226 N322 V324 P328 Y351 V353	P202-T326 PolarHBondContact O-OG1 3.34Å; N203-T326 WeakPolarHBondContact CB-O 3.35Å; N203-T326 PolarHBondContact ND2-OG1 2.92Å; Y226-T326 HydrophobicContact CD1-CG2 4.25Å; Y226-T326 HydrophobicContact CD2-CG2 4.18Å; Y226-T326 HydrophobicContact CE1-CG2 3.81Å; Y226-T326 HydrophobicContact CE2-CG2 3.71Å; Y226-T326 HydrophobicContact CG-CG2 4.42Å; Y226-T326 PolarHBondContact OH-OG1 3.35Å; N322-T326 HydrophobicContact CB-CG2 4.3Å; N322-T326 WeakPolarHBondContact O-CB 3.13Å; N322-T326 PolarHBondContact O-N 2.94Å; N322-T326 PolarHBondContact O-OG1 3.2Å; V324-T326 VanDerWaalsContact C-N 3.26Å; V324-T326 PolarHBondContact O-N 3.14Å; T326-P328 VanDerWaalsContact O-CD 3.25Å; T326-P328 WeakPolarHBondContact O-CD 3.41Å; T326-Y351 VanDerWaalsContact CG2-O 3.26Å; T326-Y351 WeakPolarHBondContact CG2-O 3.45Å; T326-V353 HydrophobicContact CG2-CG2 4.38Å
327	D	94.8	Very high	95.6	Very high	22 Å²	22	28.3 Å²	28.3	12%	0.118	15%	0.149	C	C	.	.			trans	-68.2	116.7	170	-174.4	-13.9	0	0	0	109	N203 V324 K329 I330 K332	N203-D327 PolarHBondContact ND2-N 3.3Å; N203-D327 VanDerWaalsContact ND2-N 3.15Å; V324-D327 PolarHBondContact O-N 2.87Å; D327-K329 PolarHBondContact O-N 2.68Å; D327-K329 VanDerWaalsContact OD1-CB 3.3Å; D327-K329 WeakPolarHBondContact OD1-CB 3.37Å; D327-K329 VanDerWaalsContact OD1-CG 3.28Å; D327-K329 WeakPolarHBondContact OD1-CG 3.39Å; D327-K329 PolarHBondContact OD1-N 3.14Å; D327-I330 HydrophobicContact CB-CD1 4.24Å; D327-I330 HydrophobicContact CB-CG1 4.22Å; D327-I330 PolarHBondContact O-N 2.91Å; D327-K332 PolarHBondContact O-NZ 3.23Å
328	P	92.7	Very high	95.6	Very high	55 Å²	55	26.6 Å²	26.6	36%	0.357	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-12.6	179.1	28.9	-36.7	0	0	0	113.8	F233 T326 V353 N354	F233-P328 HydrophobicContact CD2-CB 3.88Å; F233-P328 HydrophobicContact CE2-CB 4.25Å; T326-P328 VanDerWaalsContact O-CD 3.25Å; T326-P328 WeakPolarHBondContact O-CD 3.41Å; P328-V353 HydrophobicContact CB-CG1 4.15Å; P328-N354 PolarHBondContact O-ND2 2.91Å
329	K	91	Very high	95.6	Very high	166 Å²	166	28.5 Å²	28.5	72%	0.722	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-29.7	177	-58.8	166.4	-163	145.9	0	113.1	D327	D327-K329 PolarHBondContact O-N 2.68Å; D327-K329 VanDerWaalsContact OD1-CB 3.3Å; D327-K329 WeakPolarHBondContact OD1-CB 3.37Å; D327-K329 VanDerWaalsContact OD1-CG 3.28Å; D327-K329 WeakPolarHBondContact OD1-CG 3.39Å; D327-K329 PolarHBondContact OD1-N 3.14Å
330	I	93.4	Very high	95.7	Very high	6 Å²	6	26.9 Å²	26.9	3%	0.031	14%	0.144	C	C	.	.	S	Bend	trans	-92.7	120.7	-175.6	-54.2	-179	0	0	0	108.1	C276 K277 I279 V324 D327 K332	C276-I330 WeakPolarHBondContact O-CG1 3.49Å; C276-I330 WeakPolarHBondContact O-CG2 3.38Å; K277-I330 CarbonylContact O-C 3.57Å; K277-I330 WeakPolarHBondContact O-CA 3.36Å; I279-I330 HydrophobicContact CG1-CG2 4.06Å; V324-I330 HydrophobicContact CG1-CD1 3.97Å; V324-I330 HydrophobicContact CG1-CG2 4.29Å; V324-I330 HydrophobicContact CG2-CD1 4.45Å; D327-I330 HydrophobicContact CB-CD1 4.24Å; D327-I330 HydrophobicContact CB-CG1 4.22Å; D327-I330 PolarHBondContact O-N 2.91Å; I330-K332 HydrophobicContact CG2-CD 4.25Å; I330-K332 WeakPolarHBondContact O-CE 3.35Å; I330-K332 PolarHBondContact O-NZ 3.18Å
331	V	93.8	Very high	95.7	Very high	6 Å²	6	25.3 Å²	25.3	4%	0.036	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	124.3	174.8	-169.7	0	0	0	0	109.4	M243 K277 Y278 I279 V333 F356	M243-V331 HydrophobicContact CE-CG1 4.26Å; M243-V331 HydrophobicContact SD-CB 4.17Å; M243-V331 HydrophobicContact SD-CG1 3.9Å; M243-V331 HydrophobicContact SD-CG2 3.99Å; K277-V331 PolarHBondContact O-N 2.63Å; Y278-V331 WeakPolarHBondContact CA-O 3.44Å; Y278-V331 HydrophobicContact CD1-CB 3.95Å; Y278-V331 HydrophobicContact CD1-CG2 3.79Å; Y278-V331 HydrophobicContact CE1-CG2 4.08Å; I279-V331 PolarHBondContact N-O 2.74Å; V331-V333 HydrophobicContact CG1-CG2 4.24Å; V331-F356 HydrophobicContact CG1-CB 3.85Å
332	K	96.6	Very high	95.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125.1	169.4	-83.9	64.1	62.5	168.2	0	108.9	I279 V324 F325 D327 I330 F334 V352 V353 N354 L355 F356	I279-K332 HydrophobicContact CD1-CD 3.82Å; I279-K332 HydrophobicContact CD1-CG 3.78Å; I279-K332 HydrophobicContact CG1-CD 3.94Å; I279-K332 HydrophobicContact CG1-CG 3.94Å; V324-K332 PolarHBondContact O-NZ 2.7Å; F325-K332 WeakPolarHBondContact O-CE 3.16Å; F325-K332 PolarHBondContact O-NZ 3.31Å; F325-K332 VanDerWaalsContact O-NZ 3.07Å; D327-K332 PolarHBondContact O-NZ 3.23Å; I330-K332 HydrophobicContact CG2-CD 4.25Å; I330-K332 WeakPolarHBondContact O-CE 3.35Å; I330-K332 PolarHBondContact O-NZ 3.18Å; K332-F334 HydrophobicContact CB-CD2 4.39Å; K332-F334 HydrophobicContact CB-CE2 4.09Å; K332-V352 HydrophobicContact CB-CG1 3.88Å; K332-V352 HydrophobicContact CG-CG1 4.18Å; K332-V353 WeakPolarHBondContact CE-O 3.43Å; K332-V353 PolarHBondContact NZ-O 3.34Å; K332-N354 WeakPolarHBondContact CE-O 3.49Å; K332-N354 PolarHBondContact N-O 3.47Å; K332-L355 CarbonylContact O-C 3.42Å; K332-L355 WeakPolarHBondContact O-CA 3.47Å; K332-F356 PolarHBondContact O-N 3.04Å
333	V	96.6	Very high	95.7	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	124.8	-177.1	-176.7	0	0	0	0	109.7	M243 I279 A280 V281 V331 F356 T358 L413 L414 A417	M243-V333 HydrophobicContact CE-CG2 3.69Å; I279-V333 PolarHBondContact O-N 2.88Å; A280-V333 CarbonylContact C-O 3.35Å; A280-V333 WeakPolarHBondContact CA-O 3.48Å; V281-V333 PolarHBondContact N-O 3.09Å; V331-V333 HydrophobicContact CG1-CG2 4.24Å; V333-F356 WeakPolarHBondContact CA-O 3.37Å; V333-F356 HydrophobicContact CG1-CD1 4.4Å; V333-T358 HydrophobicContact CG1-CG2 4.1Å; V333-L413 HydrophobicContact CG1-CD2 4.03Å; V333-L413 HydrophobicContact CG1-CG 3.8Å; V333-L414 HydrophobicContact CB-CD2 4.21Å; V333-L414 HydrophobicContact CG2-CD2 3.83Å; V333-A417 HydrophobicContact CG1-CB 3.59Å; V333-A417 HydrophobicContact CG2-CB 4.25Å
334	F	98	Very high	95.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	176.7	179.4	-77.5	-105.7	0	0	0	111.5	V281 L283 K332 D340 L344 V352 L355 F356 T358	V281-F334 HydrophobicContact CB-CD1 4.32Å; V281-F334 HydrophobicContact CB-CD2 4.22Å; V281-F334 HydrophobicContact CB-CE1 3.84Å; V281-F334 HydrophobicContact CB-CE2 3.75Å; V281-F334 HydrophobicContact CB-CZ 3.55Å; V281-F334 HydrophobicContact CG1-CE1 3.71Å; V281-F334 HydrophobicContact CG1-CE2 4.21Å; V281-F334 HydrophobicContact CG1-CZ 3.51Å; V281-F334 HydrophobicContact CG2-CE2 4.22Å; V281-F334 HydrophobicContact CG2-CZ 4.32Å; V281-F334 WeakPolarHBondContact O-CD1 3.15Å; L283-F334 HydrophobicContact CD1-CE1 4.14Å; K332-F334 HydrophobicContact CB-CD2 4.39Å; K332-F334 HydrophobicContact CB-CE2 4.09Å; F334-D340 HydrophobicContact CD1-CB 4.24Å; F334-D340 HydrophobicContact CE1-CB 3.98Å; F334-L344 HydrophobicContact CZ-CD1 4.11Å; F334-V352 HydrophobicContact CE2-CG2 4.36Å; F334-L355 HydrophobicContact CB-CD1 4.1Å; F334-L355 HydrophobicContact CD2-CD1 3.35Å; F334-L355 HydrophobicContact CE2-CD1 4.04Å; F334-L355 HydrophobicContact CG-CD1 4.05Å; F334-F356 PolarHBondContact N-O 2.91Å; F334-F356 VanDerWaalsContact N-O 3.11Å; F334-T358 PolarHBondContact O-N 2.74Å; F334-T358 PolarHBondContact O-OG1 2.98Å
335	H	97	Very high	95.8	Very high	32 Å²	32	23.9 Å²	23.9	15%	0.148	13%	0.128	C	C	.	.	S	Bend	trans	-131	94.2	171.7	-172.8	80.5	0	0	0	113.3	T358 F370 L372 L413	H335-T358 WeakPolarHBondContact CA-OG1 3.48Å; H335-T358 WeakPolarHBondContact CB-OG1 3.37Å; H335-T358 PolarHBondContact ND1-OG1 3.41Å; H335-F370 PolarHBondContact CE1-O 2.59Å; H335-F370 PolarHBondContact NE2-O 2.69Å; H335-L372 HydrophobicContact CB-CD2 4.26Å; H335-L372 PolarHBondContact CE1-N 3.37Å; H335-L372 VanDerWaalsContact CE1-N 3.3Å; H335-L372 PolarHBondContact NE2-N 2.93Å; H335-L413 HydrophobicContact CB-CD1 4.2Å
336	G	95	Very high	95.7	Very high	28 Å²	28	24.2 Å²	24.2	29%	0.289	13%	0.129	S	C	.	.	S	Bend	trans	79.6	37.7	178.8	0	0	0	0	0	113.3	D338 D357	G336-D338 PolarHBondContact O-N 3.47Å; G336-D357 WeakPolarHBondContact CA-OD2 3.47Å; G336-D357 PolarHBondContact N-OD1 2.99Å; G336-D357 PolarHBondContact N-OD2 2.93Å
337	S	95.8	Very high	95.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	3.1	-173.1	53.4	0	0	0	0	117.6	S339 D340 L341 D357	S337-S339 PolarHBondContact O-N 2.94Å; S337-S339 VanDerWaalsContact O-N 3.15Å; S337-D340 WeakPolarHBondContact CA-OD2 3.19Å; S337-D340 PolarHBondContact O-N 3.27Å; S337-L341 VanDerWaalsContact O-CG 3.31Å; S337-L341 WeakPolarHBondContact O-CG 3.19Å; S337-L341 PolarHBondContact O-N 3.32Å; S337-L341 VanDerWaalsContact O-N 3.13Å; S337-D357 WeakPolarHBondContact CB-OD2 3.35Å; S337-D357 PolarHBondContact N-OD2 2.7Å; S337-D357 PolarHBondContact OG-OD2 2.87Å
338	D	94.7	Very high	95.8	Very high	50 Å²	50	23.8 Å²	23.8	27%	0.267	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-39.2	-179.6	-76.6	-88.2	0	0	0	112.8	G336 M342 R363 L440 R443	G336-D338 PolarHBondContact O-N 3.47Å; D338-M342 WeakPolarHBondContact O-CG 3.49Å; D338-R363 IonicContact OD2-NH2 3.96Å; D338-L440 WeakPolarHBondContact OD1-CD2 3.3Å; D338-R443 IonicContact OD1-CZ 3.59Å; D338-R443 IonicContact OD1-NH1 3.39Å; D338-R443 PolarHBondContact OD1-NH1 3.25Å; D338-R443 IonicContact OD1-NH2 2.7Å
339	S	95.9	Very high	95.9	Very high	41 Å²	41	21.2 Å²	21.2	29%	0.287	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-35.6	177.5	-64.9	0	0	0	0	113.4	S337 L341 M342 W343	S337-S339 PolarHBondContact O-N 2.94Å; S337-S339 VanDerWaalsContact O-N 3.15Å; S339-L341 PolarHBondContact O-N 2.85Å; S339-M342 WeakPolarHBondContact O-CB 3.32Å; S339-M342 PolarHBondContact O-N 2.82Å; S339-W343 VanDerWaalsContact O-CG 3.29Å; S339-W343 PolarHBondContact O-N 3.13Å
340	D	97.4	Very high	96.2	Very high	12 Å²	12	13.3 Å²	13.3	6%	0.064	8%	0.076	C	C	.	.	H	α-helix	trans	-63.4	-42.5	-175.4	-54.4	-54.6	0	0	0	112.1	L283 F334 S337 M342 W343 L344	L283-D340 HydrophobicContact CD1-CB 4.27Å; L283-D340 HydrophobicContact CD2-CB 4.32Å; F334-D340 HydrophobicContact CD1-CB 4.24Å; F334-D340 HydrophobicContact CE1-CB 3.98Å; S337-D340 WeakPolarHBondContact CA-OD2 3.19Å; S337-D340 PolarHBondContact O-N 3.27Å; D340-M342 PolarHBondContact O-N 3.41Å; D340-W343 PolarHBondContact O-N 3.34Å; D340-W343 VanDerWaalsContact O-N 3.16Å; D340-W343 WeakPolarHBondContact OD1-CZ3 3.27Å; D340-L344 WeakPolarHBondContact O-CB 3.13Å; D340-L344 VanDerWaalsContact O-CG 3.31Å; D340-L344 WeakPolarHBondContact O-CG 3.47Å; D340-L344 PolarHBondContact O-N 3.29Å
341	L	97.5	Very high	96.4	Very high	7 Å²	7	13.3 Å²	13.3	4%	0.037	8%	0.075	C	C	.	.	H	α-helix	trans	-59.1	-38.6	174.6	-65.3	168.4	0	0	0	111.3	S337 S339 Q345 V352 L355 L440	S337-L341 VanDerWaalsContact O-CG 3.31Å; S337-L341 WeakPolarHBondContact O-CG 3.19Å; S337-L341 PolarHBondContact O-N 3.32Å; S337-L341 VanDerWaalsContact O-N 3.13Å; S339-L341 PolarHBondContact O-N 2.85Å; L341-Q345 VanDerWaalsContact O-CG 3.28Å; L341-Q345 WeakPolarHBondContact O-CG 3.22Å; L341-Q345 PolarHBondContact O-N 3.46Å; L341-V352 HydrophobicContact CD2-CB 3.81Å; L341-V352 HydrophobicContact CD2-CG2 3.56Å; L341-L355 HydrophobicContact CD1-CD2 3.97Å; L341-L440 HydrophobicContact CD1-CB 3.73Å
342	M	96.5	Very high	96.5	Very high	30 Å²	30	13.2 Å²	13.2	15%	0.148	8%	0.075	C	C	.	.	H	α-helix	trans	-70.4	-36.6	177.9	-61	-61.5	93.1	0	0	111.7	D338 S339 D340 R346 R443 Y445	D338-M342 WeakPolarHBondContact O-CG 3.49Å; S339-M342 WeakPolarHBondContact O-CB 3.32Å; S339-M342 PolarHBondContact O-N 2.82Å; D340-M342 PolarHBondContact O-N 3.41Å; M342-R346 VanDerWaalsContact O-CB 3.29Å; M342-R346 WeakPolarHBondContact O-CB 3.38Å; M342-R346 PolarHBondContact O-N 3.31Å; M342-R443 HydrophobicContact CE-CB 3.65Å; M342-R443 WeakPolarHBondContact CE-O 3.07Å; M342-R443 HydrophobicContact SD-CB 4.28Å; M342-Y445 HydrophobicContact CB-CD2 4.09Å
343	W	97.3	Very high	96.5	Very high	38 Å²	38	13.3 Å²	13.3	14%	0.144	8%	0.075	C	C	.	.	H	α-helix	trans	-73.1	-40.8	177.5	-60	-18.4	0	0	0	112.6	L283 H285 T295 S339 D340 Q345 R346 D347	L283-W343 HydrophobicContact CB-CE3 4.35Å; L283-W343 HydrophobicContact CD2-CB 4.18Å; L283-W343 HydrophobicContact CD2-CE3 4.33Å; H285-W343 HydrophobicContact CB-CD2 4.15Å; H285-W343 HydrophobicContact CB-CE3 3.79Å; H285-W343 HydrophobicContact CB-CH2 3.49Å; H285-W343 VanDerWaalsContact CB-CH2 3.49Å; H285-W343 HydrophobicContact CB-CZ2 3.86Å; H285-W343 HydrophobicContact CB-CZ3 3.47Å; H285-W343 VanDerWaalsContact CB-CZ3 3.47Å; H285-W343 AromaticContact CD2-CD2 3.55Å; H285-W343 AromaticContact CD2-CE2 3.57Å; H285-W343 AromaticContact CD2-CG 3.87Å; H285-W343 AromaticContact CD2-NE1 3.91Å; H285-W343 AromaticContact CG-CD2 3.86Å; H285-W343 AromaticContact CG-CE2 3.63Å; H285-W343 AromaticContact CG-CH2 3.8Å; H285-W343 AromaticContact CG-CZ2 3.59Å; H285-W343 AromaticContact ND1-CE2 3.94Å; H285-W343 AromaticContact ND1-CZ2 3.71Å; H285-W343 AromaticContact NE2-CD1 3.93Å; H285-W343 AromaticContact NE2-NE1 3.89Å; T295-W343 WeakPolarHBondContact OG1-CB 3.46Å; S339-W343 VanDerWaalsContact O-CG 3.29Å; S339-W343 PolarHBondContact O-N 3.13Å; D340-W343 PolarHBondContact O-N 3.34Å; D340-W343 VanDerWaalsContact O-N 3.16Å; D340-W343 WeakPolarHBondContact OD1-CZ3 3.27Å; W343-Q345 VanDerWaalsContact C-N 3.3Å; W343-Q345 PolarHBondContact O-N 3.22Å; W343-R346 PolarHBondContact O-N 2.94Å; W343-D347 WeakPolarHBondContact O-CB 3.44Å; W343-D347 PolarHBondContact O-N 3.03Å
344	L	97.7	Very high	96.4	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-56.9	-43.4	173	-74.6	171.3	0	0	0	111.7	L283 I298 F325 F334 D340 F348 G349 V350 V352	L283-L344 HydrophobicContact CD1-CD1 4.46Å; L283-L344 HydrophobicContact CD1-CD2 4.28Å; L283-L344 HydrophobicContact CD1-CG 4.36Å; L283-L344 HydrophobicContact CD2-CD2 4.01Å; L283-L344 HydrophobicContact CD2-CG 3.88Å; I298-L344 HydrophobicContact CD1-CD2 4.41Å; F325-L344 HydrophobicContact CD2-CD1 4.32Å; F325-L344 HydrophobicContact CE2-CD1 4.04Å; F325-L344 HydrophobicContact CE2-CD2 4.33Å; F334-L344 HydrophobicContact CZ-CD1 4.11Å; D340-L344 WeakPolarHBondContact O-CB 3.13Å; D340-L344 VanDerWaalsContact O-CG 3.31Å; D340-L344 WeakPolarHBondContact O-CG 3.47Å; D340-L344 PolarHBondContact O-N 3.29Å; L344-F348 HydrophobicContact CD2-CD2 4.24Å; L344-F348 PolarHBondContact O-N 3.09Å; L344-G349 PolarHBondContact O-N 2.87Å; L344-G349 VanDerWaalsContact O-N 3.1Å; L344-V350 CarbonylContact C-O 3.57Å; L344-V350 HydrophobicContact CB-CB 4.17Å; L344-V350 HydrophobicContact CB-CG1 4.46Å; L344-V350 HydrophobicContact CD2-CB 4.25Å; L344-V350 HydrophobicContact CD2-CG1 4.18Å; L344-V350 PolarHBondContact O-N 3.46Å; L344-V352 HydrophobicContact CD1-CG2 4.33Å
345	Q	96.6	Very high	96.2	Very high	6 Å²	6	13.9 Å²	13.9	3%	0.028	8%	0.078	C	C	.	.	H	α-helix	trans	-65.3	-54.9	172.8	-69.4	-177.6	30.1	0	0	111.9	F194 L341 W343 D347 G349 V350 Y351 R443	F194-Q345 WeakPolarHBondContact CZ-O 3.4Å; L341-Q345 VanDerWaalsContact O-CG 3.28Å; L341-Q345 WeakPolarHBondContact O-CG 3.22Å; L341-Q345 PolarHBondContact O-N 3.46Å; W343-Q345 VanDerWaalsContact C-N 3.3Å; W343-Q345 PolarHBondContact O-N 3.22Å; Q345-D347 PolarHBondContact O-N 2.93Å; Q345-G349 PolarHBondContact O-N 3.04Å; Q345-V350 PolarHBondContact N-O 3.24Å; Q345-Y351 HydrophobicContact CB-CE1 4.5Å; Q345-Y351 VanDerWaalsContact CD-CE1 3.43Å; Q345-Y351 HydrophobicContact CG-CD1 3.82Å; Q345-Y351 HydrophobicContact CG-CE1 3.45Å; Q345-Y351 VanDerWaalsContact CG-CE1 3.45Å; Q345-R443 PolarHBondContact NE2-O 3.3Å
346	R	95.3	Very high	96.1	Very high	8 Å²	8	12.6 Å²	12.6	3%	0.03	7%	0.072	C	C	.	.	H	α-helix	trans	-53.7	-49.5	-177.5	179.2	-166.6	68.8	-129.9	-21.3	112.2	K197 H285 L292 G293 M342 W343 Y445	K197-R346 WeakPolarHBondContact CD-O 3.44Å; K197-R346 VanDerWaalsContact CE-O 3.26Å; K197-R346 WeakPolarHBondContact CE-O 3.46Å; K197-R346 PolarHBondContact NZ-O 3.46Å; H285-R346 PolarHBondContact CD2-NH2 2.9Å; H285-R346 PolarHBondContact NE2-NH1 2.95Å; H285-R346 PolarHBondContact NE2-NH2 2.86Å; L292-R346 PolarHBondContact O-NH1 3.24Å; G293-R346 PolarHBondContact O-NE 2.79Å; M342-R346 VanDerWaalsContact O-CB 3.29Å; M342-R346 WeakPolarHBondContact O-CB 3.38Å; M342-R346 PolarHBondContact O-N 3.31Å; W343-R346 PolarHBondContact O-N 2.94Å; R346-Y445 HydrophobicContact CB-CD1 3.72Å; R346-Y445 HydrophobicContact CB-CD2 4.35Å; R346-Y445 HydrophobicContact CB-CE1 3.79Å; R346-Y445 HydrophobicContact CB-CE2 4.4Å; R346-Y445 HydrophobicContact CB-CG 4.01Å; R346-Y445 HydrophobicContact CG-CD1 4.05Å; R346-Y445 HydrophobicContact CG-CE1 3.58Å
347	D	96.1	Very high	96.2	Very high	8 Å²	8	11.4 Å²	11.4	4%	0.043	6%	0.059	C	C	.	.	H	α-helix	trans	-90.2	-47.2	-166.8	-79.3	-16.5	0	0	0	112.7	K197 T295 R315 W343 Q345	K197-D347 WeakPolarHBondContact CD-O 3.37Å; K197-D347 PolarHBondContact NZ-O 2.8Å; T295-D347 PolarHBondContact N-OD2 3.2Å; R315-D347 IonicContact CZ-OD1 3.61Å; R315-D347 IonicContact NH1-OD1 3.48Å; R315-D347 PolarHBondContact NH1-OD1 3.44Å; R315-D347 IonicContact NH1-OD2 3.6Å; R315-D347 PolarHBondContact NH1-OD2 2.99Å; R315-D347 VanDerWaalsContact NH2-CG 3.35Å; R315-D347 IonicContact NH2-OD1 2.74Å; R315-D347 PolarHBondContact NH2-OD1 2.97Å; W343-D347 WeakPolarHBondContact O-CB 3.44Å; W343-D347 PolarHBondContact O-N 3.03Å; Q345-D347 PolarHBondContact O-N 2.93Å
348	F	95.9	Very high	96.3	Very high	7 Å²	7	11.4 Å²	11.4	3%	0.031	6%	0.059	C	C	.	.	H	α-helix	trans	-117.1	-10	-166.4	-43.3	-63	0	0	0	114.3	T295 I298 A311 R315 L318 L344 V350	T295-F348 HydrophobicContact CG2-CE2 3.9Å; T295-F348 HydrophobicContact CG2-CZ 4.03Å; I298-F348 HydrophobicContact CD1-CD2 4.39Å; I298-F348 HydrophobicContact CD1-CE2 4.07Å; A311-F348 HydrophobicContact CB-CE1 4.3Å; A311-F348 HydrophobicContact CB-CZ 3.75Å; R315-F348 HydrophobicContact CB-CE1 4.41Å; R315-F348 HydrophobicContact CG-CD1 4.29Å; R315-F348 HydrophobicContact CG-CE1 4.04Å; L318-F348 HydrophobicContact CB-CB 4.01Å; L318-F348 HydrophobicContact CB-CD1 3.87Å; L318-F348 HydrophobicContact CB-CG 3.92Å; L318-F348 HydrophobicContact CD1-CD1 3.63Å; L318-F348 HydrophobicContact CD1-CD2 4.34Å; L318-F348 HydrophobicContact CD1-CE1 3.51Å; L318-F348 HydrophobicContact CD1-CE2 4.25Å; L318-F348 HydrophobicContact CD1-CG 4.07Å; L318-F348 HydrophobicContact CD1-CZ 3.86Å; L318-F348 HydrophobicContact CG-CD1 4.37Å; L344-F348 HydrophobicContact CD2-CD2 4.24Å; L344-F348 PolarHBondContact O-N 3.09Å; F348-V350 VanDerWaalsContact C-N 3.33Å; F348-V350 HydrophobicContact CB-CB 4.49Å; F348-V350 HydrophobicContact CB-CG2 3.81Å
349	G	95.4	Very high	96.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.			trans	67.4	33.7	-172.4	0	0	0	0	0	112.8	N322 L344 Q345 Y351	N322-G349 PolarHBondContact ND2-O 2.89Å; L344-G349 PolarHBondContact O-N 2.87Å; L344-G349 VanDerWaalsContact O-N 3.1Å; Q345-G349 PolarHBondContact O-N 3.04Å; G349-Y351 WeakPolarHBondContact O-CD2 3.46Å
350	V	97.5	Very high	96.3	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.006	4%	0.037	C	C	.	.			trans	-99.3	136.9	-179.9	174.3	0	0	0	0	110.3	L318 L321 N322 F325 L344 Q345 F348	L318-V350 VanDerWaalsContact O-CG2 3.28Å; L318-V350 WeakPolarHBondContact O-CG2 3.31Å; L321-V350 HydrophobicContact CB-CG1 4.06Å; L321-V350 HydrophobicContact CB-CG2 4.02Å; N322-V350 WeakPolarHBondContact OD1-CA 3.42Å; F325-V350 HydrophobicContact CB-CG1 4.18Å; F325-V350 HydrophobicContact CD2-CG1 3.52Å; F325-V350 HydrophobicContact CE2-CG1 4.11Å; F325-V350 HydrophobicContact CG-CG1 4Å; L344-V350 CarbonylContact C-O 3.57Å; L344-V350 HydrophobicContact CB-CB 4.17Å; L344-V350 HydrophobicContact CB-CG1 4.46Å; L344-V350 HydrophobicContact CD2-CB 4.25Å; L344-V350 HydrophobicContact CD2-CG1 4.18Å; L344-V350 PolarHBondContact O-N 3.46Å; Q345-V350 PolarHBondContact N-O 3.24Å; F348-V350 VanDerWaalsContact C-N 3.33Å; F348-V350 HydrophobicContact CB-CB 4.49Å; F348-V350 HydrophobicContact CB-CG2 3.81Å
351	Y	97.6	Very high	96.2	Very high	5 Å²	5	7.2 Å²	7.2	2%	0.02	3%	0.034	C	C	.	.			trans	-125.4	157.8	-177.5	-65.7	-88.1	0	0	0	110.6	I198 H224 P225 Y226 N322 F325 T326 Q345 G349	I198-Y351 HydrophobicContact CB-CE2 4.12Å; I198-Y351 HydrophobicContact CD1-CD2 4.07Å; I198-Y351 HydrophobicContact CD1-CE2 4.19Å; I198-Y351 HydrophobicContact CG2-CE2 4.23Å; H224-Y351 AromaticContact CD2-CE1 3.85Å; H224-Y351 AromaticContact CE1-CD1 3.76Å; H224-Y351 AromaticContact NE2-CD1 3.2Å; H224-Y351 WeakPolarHBondContact NE2-CD1 3.21Å; H224-Y351 AromaticContact NE2-CE1 3.48Å; H224-Y351 WeakPolarHBondContact NE2-CE1 3.3Å; P225-Y351 HydrophobicContact CB-CE2 4.43Å; P225-Y351 HydrophobicContact CG-CE1 4.23Å; P225-Y351 HydrophobicContact CG-CE2 4.04Å; Y226-Y351 HydrophobicContact CD2-CD1 4.47Å; Y226-Y351 AromaticContact CD2-CD2 3.94Å; Y226-Y351 HydrophobicContact CD2-CD2 3.94Å; Y226-Y351 AromaticContact CD2-CG 3.72Å; Y226-Y351 HydrophobicContact CD2-CG 3.72Å; Y226-Y351 HydrophobicContact CE2-CD2 4.03Å; Y226-Y351 HydrophobicContact CE2-CG 4.19Å; N322-Y351 PolarHBondContact OD1-N 3.03Å; F325-Y351 WeakPolarHBondContact CB-O 3.5Å; T326-Y351 VanDerWaalsContact CG2-O 3.26Å; T326-Y351 WeakPolarHBondContact CG2-O 3.45Å; Q345-Y351 HydrophobicContact CB-CE1 4.5Å; Q345-Y351 VanDerWaalsContact CD-CE1 3.43Å; Q345-Y351 HydrophobicContact CG-CD1 3.82Å; Q345-Y351 HydrophobicContact CG-CE1 3.45Å; Q345-Y351 VanDerWaalsContact CG-CE1 3.45Å; G349-Y351 WeakPolarHBondContact O-CD2 3.46Å
352	V	97.1	Very high	96.2	Very high	4 Å²	4	6.9 Å²	6.9	2%	0.024	3%	0.032	C	C	.	.			trans	-121.4	131.2	-179.2	-176.9	0	0	0	0	111	F325 K332 F334 L341 L344 L355 C441	F325-V352 HydrophobicContact CB-CG2 4.5Å; F325-V352 HydrophobicContact CD2-CG2 3.9Å; F325-V352 WeakPolarHBondContact O-CA 3.34Å; K332-V352 HydrophobicContact CB-CG1 3.88Å; K332-V352 HydrophobicContact CG-CG1 4.18Å; F334-V352 HydrophobicContact CE2-CG2 4.36Å; L341-V352 HydrophobicContact CD2-CB 3.81Å; L341-V352 HydrophobicContact CD2-CG2 3.56Å; L344-V352 HydrophobicContact CD1-CG2 4.33Å; V352-L355 HydrophobicContact CG1-CB 3.99Å; V352-L355 HydrophobicContact CG1-CD1 4.38Å; V352-C441 WeakPolarHBondContact O-CB 3.31Å; V352-C441 PolarHBondContact O-SG 3.14Å; V352-C441 VanDerWaalsContact O-SG 3.35Å
353	V	95.3	Very high	96.1	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.012	5%	0.045	C	C	.	.	S	Bend	trans	-123.6	140.8	168.5	-176.5	0	0	0	0	107.6	Y226 L230 F233 F325 T326 P328 K332	Y226-V353 HydrophobicContact CD1-CG2 4.32Å; L230-V353 HydrophobicContact CD2-CB 4.38Å; L230-V353 HydrophobicContact CD2-CG1 4.27Å; L230-V353 HydrophobicContact CD2-CG2 4.18Å; L230-V353 HydrophobicContact CG-CG2 4.29Å; F233-V353 HydrophobicContact CB-CG1 4.4Å; F233-V353 HydrophobicContact CD2-CG1 4.3Å; F233-V353 HydrophobicContact CG-CG1 4.37Å; F325-V353 PolarHBondContact O-N 3.27Å; T326-V353 HydrophobicContact CG2-CG2 4.38Å; P328-V353 HydrophobicContact CB-CG1 4.15Å; K332-V353 WeakPolarHBondContact CE-O 3.43Å; K332-V353 PolarHBondContact NZ-O 3.34Å
354	N	94	Very high	96.1	Very high	9 Å²	9	9.6 Å²	9.6	5%	0.048	4%	0.042	C	C	.	.	S	Bend	trans	60	74.4	-167.6	-165.9	-3	0	0	0	113.1	F233 P328 K332	F233-N354 HydrophobicContact CD2-CB 4.4Å; F233-N354 HydrophobicContact CE1-CB 4.49Å; F233-N354 HydrophobicContact CE2-CB 3.5Å; F233-N354 VanDerWaalsContact CE2-CB 3.5Å; F233-N354 HydrophobicContact CZ-CB 3.56Å; F233-N354 VanDerWaalsContact CZ-CG 3.5Å; P328-N354 PolarHBondContact O-ND2 2.91Å; K332-N354 WeakPolarHBondContact CE-O 3.49Å; K332-N354 PolarHBondContact N-O 3.47Å
355	L	95.1	Very high	96	Very high	4 Å²	4	9.8 Å²	9.8	2%	0.021	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	136.5	175.5	175.4	66.1	0	0	0	110.8	K332 F334 L341 V352 A437 C441	K332-L355 CarbonylContact O-C 3.42Å; K332-L355 WeakPolarHBondContact O-CA 3.47Å; F334-L355 HydrophobicContact CB-CD1 4.1Å; F334-L355 HydrophobicContact CD2-CD1 3.35Å; F334-L355 HydrophobicContact CE2-CD1 4.04Å; F334-L355 HydrophobicContact CG-CD1 4.05Å; L341-L355 HydrophobicContact CD1-CD2 3.97Å; V352-L355 HydrophobicContact CG1-CB 3.99Å; V352-L355 HydrophobicContact CG1-CD1 4.38Å; L355-A437 HydrophobicContact CB-CB 4.19Å; L355-A437 HydrophobicContact CD2-CB 4.06Å; L355-A437 HydrophobicContact CG-CB 3.97Å; L355-A437 VanDerWaalsContact O-CB 3.3Å; L355-A437 WeakPolarHBondContact O-CB 3.49Å; L355-C441 VanDerWaalsContact CB-SG 3.52Å; L355-C441 WeakPolarHBondContact CD2-SG 3.2Å
356	F	95.4	Very high	95.8	Very high	5 Å²	5	17.3 Å²	17.3	2%	0.022	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.5	163.1	-176.8	-95.7	0	0	0	110.3	V331 K332 V333 F334 T358 A361 A417 C421 L424 L430 A433	V331-F356 HydrophobicContact CG1-CB 3.85Å; K332-F356 PolarHBondContact O-N 3.04Å; V333-F356 WeakPolarHBondContact CA-O 3.37Å; V333-F356 HydrophobicContact CG1-CD1 4.4Å; F334-F356 PolarHBondContact N-O 2.91Å; F334-F356 VanDerWaalsContact N-O 3.11Å; F356-T358 HydrophobicContact CD1-CG2 4.26Å; F356-T358 HydrophobicContact CE1-CG2 3.98Å; F356-A361 HydrophobicContact CE1-CB 4.34Å; F356-A361 HydrophobicContact CZ-CB 3.8Å; F356-A417 HydrophobicContact CD1-CB 3.87Å; F356-A417 HydrophobicContact CE1-CB 3.85Å; F356-C421 WeakPolarHBondContact CE2-SG 3.25Å; F356-C421 WeakPolarHBondContact CZ-SG 3.21Å; F356-L424 HydrophobicContact CE2-CD1 3.91Å; F356-L424 HydrophobicContact CZ-CD1 3.95Å; F356-L430 HydrophobicContact CD2-CD1 4.48Å; F356-L430 HydrophobicContact CE2-CD1 3.85Å; F356-A433 HydrophobicContact CE2-CB 4.41Å
357	D	96.9	Very high	95.7	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.011	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	114.7	-179.1	-171	-71.1	0	0	0	111.4	G336 S337 G359 I360 A361	G336-D357 WeakPolarHBondContact CA-OD2 3.47Å; G336-D357 PolarHBondContact N-OD1 2.99Å; G336-D357 PolarHBondContact N-OD2 2.93Å; S337-D357 WeakPolarHBondContact CB-OD2 3.35Å; S337-D357 PolarHBondContact N-OD2 2.7Å; S337-D357 PolarHBondContact OG-OD2 2.87Å; D357-G359 PolarHBondContact O-N 3.46Å; D357-G359 WeakPolarHBondContact OD1-CA 3.34Å; D357-G359 PolarHBondContact OD1-N 3.07Å; D357-I360 HydrophobicContact CB-CB 4.07Å; D357-I360 HydrophobicContact CB-CD1 3.84Å; D357-I360 HydrophobicContact CB-CG1 3.84Å; D357-I360 PolarHBondContact O-N 3.19Å; D357-I360 PolarHBondContact OD1-N 2.77Å; D357-A361 PolarHBondContact O-N 3.17Å
358	T	96.4	Very high	95.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-68.7	-21.7	-179.2	57.1	0	0	0	0	113.1	V333 F334 H335 F356 A362 L413 I416 A417 M420	V333-T358 HydrophobicContact CG1-CG2 4.1Å; F334-T358 PolarHBondContact O-N 2.74Å; F334-T358 PolarHBondContact O-OG1 2.98Å; H335-T358 WeakPolarHBondContact CA-OG1 3.48Å; H335-T358 WeakPolarHBondContact CB-OG1 3.37Å; H335-T358 PolarHBondContact ND1-OG1 3.41Å; F356-T358 HydrophobicContact CD1-CG2 4.26Å; F356-T358 HydrophobicContact CE1-CG2 3.98Å; T358-A362 WeakPolarHBondContact O-CB 3.41Å; T358-A362 PolarHBondContact O-N 3.36Å; T358-L413 HydrophobicContact CG2-CD1 3.97Å; T358-I416 HydrophobicContact CG2-CG2 4.18Å; T358-A417 HydrophobicContact CG2-CB 4.09Å; T358-M420 HydrophobicContact CG2-SD 4.48Å; T358-M420 WeakPolarHBondContact O-CE 3.37Å
359	G	95.5	Very high	95.2	Very high	3 Å²	3	27.8 Å²	27.8	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-75	-38.5	172.1	0	0	0	0	0	112.5	D357 R363	D357-G359 PolarHBondContact O-N 3.46Å; D357-G359 WeakPolarHBondContact OD1-CA 3.34Å; D357-G359 PolarHBondContact OD1-N 3.07Å; G359-R363 WeakPolarHBondContact O-CG 3.49Å; G359-R363 PolarHBondContact O-N 3.23Å; G359-R363 PolarHBondContact O-NE 2.93Å
360	I	95.8	Very high	95.1	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.062	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-47.6	167.1	-65.1	-179.3	0	0	0	109.8	D357 A362 R363 L364 R436 A437 L440	D357-I360 HydrophobicContact CB-CB 4.07Å; D357-I360 HydrophobicContact CB-CD1 3.84Å; D357-I360 HydrophobicContact CB-CG1 3.84Å; D357-I360 PolarHBondContact O-N 3.19Å; D357-I360 PolarHBondContact OD1-N 2.77Å; I360-A362 PolarHBondContact O-N 3.13Å; I360-R363 PolarHBondContact O-N 3.18Å; I360-L364 HydrophobicContact CG2-CD1 3.98Å; I360-L364 PolarHBondContact O-N 3Å; I360-R436 HydrophobicContact CD1-CB 4Å; I360-R436 HydrophobicContact CG2-CB 3.83Å; I360-A437 HydrophobicContact CD1-CB 4.19Å; I360-L440 HydrophobicContact CD1-CD1 3.78Å; I360-L440 HydrophobicContact CD1-CG 4.13Å
361	A	95.8	Very high	94.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-42.8	178	0	0	0	0	0	112.2	F356 D357 R363 L364 L365 M420 L424	F356-A361 HydrophobicContact CE1-CB 4.34Å; F356-A361 HydrophobicContact CZ-CB 3.8Å; D357-A361 PolarHBondContact O-N 3.17Å; A361-R363 VanDerWaalsContact C-N 3.3Å; A361-R363 PolarHBondContact O-N 2.76Å; A361-L364 PolarHBondContact O-N 3.47Å; A361-L365 WeakPolarHBondContact O-CB 3.26Å; A361-L365 VanDerWaalsContact O-CG 3.28Å; A361-L365 WeakPolarHBondContact O-CG 3.4Å; A361-L365 PolarHBondContact O-N 3.03Å; A361-M420 HydrophobicContact CB-CB 4.36Å; A361-M420 HydrophobicContact CB-CE 3.63Å; A361-L424 HydrophobicContact CB-CD1 3.78Å
362	A	96.7	Very high	94.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-36.2	178	0	0	0	0	0	112.7	T358 I360 Q366 Y367 F370 L375 M420	T358-A362 WeakPolarHBondContact O-CB 3.41Å; T358-A362 PolarHBondContact O-N 3.36Å; I360-A362 PolarHBondContact O-N 3.13Å; A362-Q366 PolarHBondContact O-N 3.45Å; A362-Y367 HydrophobicContact CB-CD2 4.11Å; A362-Y367 PolarHBondContact O-N 2.73Å; A362-Y367 VanDerWaalsContact O-N 3.15Å; A362-F370 HydrophobicContact CB-CB 4.26Å; A362-F370 HydrophobicContact CB-CD1 4.04Å; A362-F370 WeakPolarHBondContact O-CD1 3.37Å; A362-F370 WeakPolarHBondContact O-CE1 3.19Å; A362-L375 HydrophobicContact CB-CD2 4.24Å; A362-M420 HydrophobicContact CB-CE 3.83Å
363	R	95.9	Very high	94.4	Very high	107 Å²	107	36 Å²	36	40%	0.404	19%	0.187	S	C	.	.	H	α-helix	trans	-68.1	-46.2	174.8	-72.5	174.7	-77.5	-155.5	5	111.2	D338 G359 I360 A361 Q366 F370	D338-R363 IonicContact OD2-NH2 3.96Å; G359-R363 WeakPolarHBondContact O-CG 3.49Å; G359-R363 PolarHBondContact O-N 3.23Å; G359-R363 PolarHBondContact O-NE 2.93Å; I360-R363 PolarHBondContact O-N 3.18Å; A361-R363 VanDerWaalsContact C-N 3.3Å; A361-R363 PolarHBondContact O-N 2.76Å; R363-Q366 PolarHBondContact O-N 3.12Å; R363-F370 HydrophobicContact CB-CD1 4.48Å; R363-F370 HydrophobicContact CB-CE1 4.47Å; R363-F370 HydrophobicContact CG-CB 4.29Å; R363-F370 HydrophobicContact CG-CD1 3.83Å; R363-F370 HydrophobicContact CG-CD2 3.87Å; R363-F370 HydrophobicContact CG-CE1 4.09Å; R363-F370 HydrophobicContact CG-CE2 4.13Å; R363-F370 HydrophobicContact CG-CG 3.72Å; R363-F370 HydrophobicContact CG-CZ 4.23Å
364	L	95.5	Very high	94.3	Very high	19 Å²	19	38 Å²	38	10%	0.099	19%	0.194	C	C	.	.	H	α-helix	trans	-64.3	-39.8	176.7	-77.2	170.8	0	0	0	113.2	I360 A361 Q366 L424 V432 A433	I360-L364 HydrophobicContact CG2-CD1 3.98Å; I360-L364 PolarHBondContact O-N 3Å; A361-L364 PolarHBondContact O-N 3.47Å; L364-Q366 PolarHBondContact O-N 3.17Å; L364-L424 HydrophobicContact CB-CD2 3.93Å; L364-L424 HydrophobicContact CD1-CD2 4.35Å; L364-V432 HydrophobicContact CD1-CB 4.45Å; L364-V432 HydrophobicContact CD1-CG1 4.38Å; L364-V432 HydrophobicContact CD2-CG1 3.96Å; L364-A433 VanDerWaalsContact CD1-CA 3.45Å; L364-A433 HydrophobicContact CD1-CB 3.57Å
365	L	95.5	Very high	94.4	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.7	177.7	-64.5	175.7	0	0	0	113.9	A361 Y367 M420 E423 L424 R427	A361-L365 WeakPolarHBondContact O-CB 3.26Å; A361-L365 VanDerWaalsContact O-CG 3.28Å; A361-L365 WeakPolarHBondContact O-CG 3.4Å; A361-L365 PolarHBondContact O-N 3.03Å; L365-Y367 HydrophobicContact CB-CD1 3.74Å; L365-Y367 HydrophobicContact CB-CE1 3.41Å; L365-Y367 VanDerWaalsContact CB-CE1 3.41Å; L365-Y367 HydrophobicContact CD1-CE1 3.97Å; L365-Y367 HydrophobicContact CD1-CE2 4.42Å; L365-Y367 WeakPolarHBondContact CD1-OH 3.08Å; L365-Y367 HydrophobicContact CG-CE1 4.32Å; L365-Y367 PolarHBondContact O-N 2.89Å; L365-M420 HydrophobicContact CD1-CB 4.26Å; L365-M420 HydrophobicContact CD1-CE 4.1Å; L365-M420 HydrophobicContact CD1-CG 4.37Å; L365-E423 HydrophobicContact CD1-CB 3.76Å; L365-E423 HydrophobicContact CD2-CB 3.95Å; L365-E423 VanDerWaalsContact CD2-O 3.26Å; L365-E423 WeakPolarHBondContact CD2-O 3.26Å; L365-L424 HydrophobicContact CD1-CD2 4.48Å; L365-L424 HydrophobicContact CD1-CG 4.19Å; L365-L424 HydrophobicContact CD2-CD2 3.65Å; L365-L424 HydrophobicContact CD2-CG 3.89Å; L365-L424 HydrophobicContact CG-CD2 3.8Å; L365-L424 HydrophobicContact CG-CG 4.03Å; L365-R427 PolarHBondContact O-NH1 2.85Å
366	Q	94.3	Very high	94.3	Very high	164 Å²	164	37.6 Å²	37.6	77%	0.766	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	45.1	178.7	-57.3	-176.6	12	0	0	113.4	A362 R363 L364	A362-Q366 PolarHBondContact O-N 3.45Å; R363-Q366 PolarHBondContact O-N 3.12Å; L364-Q366 PolarHBondContact O-N 3.17Å
367	Y	93.1	Very high	94.2	Very high	11 Å²	11	40.6 Å²	40.6	4%	0.043	21%	0.206	C	C	.	.			trans	-69.2	149.1	176.7	-71.3	0.2	0	0	0	112.1	A362 L365 R369 F370 Y374 L375 R378 F379 M420 E423	A362-Y367 HydrophobicContact CB-CD2 4.11Å; A362-Y367 PolarHBondContact O-N 2.73Å; A362-Y367 VanDerWaalsContact O-N 3.15Å; L365-Y367 HydrophobicContact CB-CD1 3.74Å; L365-Y367 HydrophobicContact CB-CE1 3.41Å; L365-Y367 VanDerWaalsContact CB-CE1 3.41Å; L365-Y367 HydrophobicContact CD1-CE1 3.97Å; L365-Y367 HydrophobicContact CD1-CE2 4.42Å; L365-Y367 WeakPolarHBondContact CD1-OH 3.08Å; L365-Y367 HydrophobicContact CG-CE1 4.32Å; L365-Y367 PolarHBondContact O-N 2.89Å; Y367-R369 WeakPolarHBondContact CB-O 3.48Å; Y367-R369 PolarHBondContact O-N 2.98Å; Y367-R369 VanDerWaalsContact O-N 3.09Å; Y367-F370 WeakPolarHBondContact O-CE1 3.16Å; Y367-Y374 AromaticContact CD2-CE1 3.87Å; Y367-Y374 HydrophobicContact CD2-CE1 3.87Å; Y367-Y374 HydrophobicContact CG-CE1 4.17Å; Y367-L375 HydrophobicContact CD2-CD2 3.76Å; Y367-L375 HydrophobicContact CE2-CD2 3.87Å; Y367-R378 VanDerWaalsContact CE1-NH1 3.26Å; Y367-R378 PolarHBondContact OH-NH2 3.42Å; Y367-F379 HydrophobicContact CE2-CE2 4.16Å; Y367-F379 HydrophobicContact CE2-CZ 4.15Å; Y367-F379 WeakPolarHBondContact OH-CZ 3.23Å; Y367-M420 HydrophobicContact CD2-CE 4.34Å; Y367-M420 HydrophobicContact CE2-CE 3.74Å; Y367-M420 HydrophobicContact CE2-SD 4.5Å; Y367-E423 WeakPolarHBondContact CE1-OE2 3.21Å; Y367-E423 PolarHBondContact OH-OE1 3.33Å; Y367-E423 PolarHBondContact OH-OE2 2.89Å
368	G	89.5	Confident	94	Very high	77 Å²	77	45.2 Å²	45.2	79%	0.794	22%	0.223	S	C	*	.	S	Bend	trans	-66.3	-11.8	-178.7	0	0	0	0	0	115
369	R	91.7	Very high	93.8	Very high	155 Å²	155	46.9 Å²	46.9	59%	0.585	23%	0.231	S	C	*	.			trans	-149.7	152.4	168.9	-61.6	-177.9	-177.5	133	1.5	108.3	Y367 Y374	Y367-R369 WeakPolarHBondContact CB-O 3.48Å; Y367-R369 PolarHBondContact O-N 2.98Å; Y367-R369 VanDerWaalsContact O-N 3.09Å; R369-Y374 HydrophobicContact CB-CD1 3.97Å; R369-Y374 HydrophobicContact CB-CD2 4.18Å; R369-Y374 HydrophobicContact CB-CG 3.73Å; R369-Y374 WeakPolarHBondContact O-CD1 3.45Å; R369-Y374 WeakPolarHBondContact O-CE1 3.21Å
370	F	92.5	Very high	93.6	Very high	98 Å²	98	48.1 Å²	48.1	43%	0.43	24%	0.237	S	C	.	.			trans	-110.4	-7.2	-176.2	-48.7	-52	0	0	0	114.8	H335 A362 R363 Y367	H335-F370 PolarHBondContact CE1-O 2.59Å; H335-F370 PolarHBondContact NE2-O 2.69Å; A362-F370 HydrophobicContact CB-CB 4.26Å; A362-F370 HydrophobicContact CB-CD1 4.04Å; A362-F370 WeakPolarHBondContact O-CD1 3.37Å; A362-F370 WeakPolarHBondContact O-CE1 3.19Å; R363-F370 HydrophobicContact CB-CD1 4.48Å; R363-F370 HydrophobicContact CB-CE1 4.47Å; R363-F370 HydrophobicContact CG-CB 4.29Å; R363-F370 HydrophobicContact CG-CD1 3.83Å; R363-F370 HydrophobicContact CG-CD2 3.87Å; R363-F370 HydrophobicContact CG-CE1 4.09Å; R363-F370 HydrophobicContact CG-CE2 4.13Å; R363-F370 HydrophobicContact CG-CG 3.72Å; R363-F370 HydrophobicContact CG-CZ 4.23Å; Y367-F370 WeakPolarHBondContact O-CE1 3.16Å
371	S	92.6	Very high	93.3	Very high	45 Å²	45	50 Å²	50	32%	0.315	26%	0.259	S	S	.	.	S	Bend	trans	-78.1	147.5	-175.3	59	0	0	0	0	113.9	S373 Y374 L375	S371-S373 VanDerWaalsContact C-N 3.28Å; S371-S373 PolarHBondContact O-N 3.05Å; S371-S373 VanDerWaalsContact O-N 3.15Å; S371-S373 PolarHBondContact OG-OG 2.7Å; S371-Y374 WeakPolarHBondContact O-CA 3.4Å; S371-Y374 WeakPolarHBondContact O-CB 3.33Å; S371-Y374 PolarHBondContact O-N 3.11Å; S371-L375 PolarHBondContact O-N 2.95Å
372	L	93.1	Very high	92.9	Very high	14 Å²	14	53 Å²	53	7%	0.073	27%	0.274	C	S	.	.	H	α-helix	trans	-48.9	-43.3	178	-172.5	49.4	0	0	0	113.6	H335 Y374 L375 L376 D409 L413 I416	H335-L372 HydrophobicContact CB-CD2 4.26Å; H335-L372 PolarHBondContact CE1-N 3.37Å; H335-L372 VanDerWaalsContact CE1-N 3.3Å; H335-L372 PolarHBondContact NE2-N 2.93Å; L372-Y374 PolarHBondContact O-N 2.98Å; L372-L375 WeakPolarHBondContact O-CA 3.41Å; L372-L375 PolarHBondContact O-N 3.44Å; L372-L376 HydrophobicContact CD1-CD1 4.48Å; L372-L376 HydrophobicContact CD1-CG 4.25Å; L372-L376 HydrophobicContact CG-CD1 4.05Å; L372-L376 HydrophobicContact CG-CG 4.34Å; L372-L376 WeakPolarHBondContact O-CG 3.46Å; L372-L376 PolarHBondContact O-N 3.34Å; L372-D409 HydrophobicContact CD2-CB 3.81Å; L372-D409 VanDerWaalsContact CD2-OD1 3.3Å; L372-D409 WeakPolarHBondContact CD2-OD1 3.4Å; L372-L413 HydrophobicContact CD1-CD1 3.8Å; L372-I416 HydrophobicContact CD1-CD1 4.17Å
373	S	92.1	Very high	92.4	Very high	26 Å²	26	61.5 Å²	61.5	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-58.1	-20.4	176.1	70.1	0	0	0	0	115.2	S371 K386	S371-S373 VanDerWaalsContact C-N 3.28Å; S371-S373 PolarHBondContact O-N 3.05Å; S371-S373 VanDerWaalsContact O-N 3.15Å; S371-S373 PolarHBondContact OG-OG 2.7Å; S373-K386 VanDerWaalsContact CB-CE 3.5Å; S373-K386 WeakPolarHBondContact OG-CE 3.38Å; S373-K386 PolarHBondContact OG-NZ 3.42Å
374	Y	94	Very high	91.6	Very high	44 Å²	44	57.7 Å²	57.7	17%	0.173	30%	0.299	C	S	.	.	H	α-helix	trans	-89.9	-33.5	172.4	166.5	-98.5	0	0	0	111.9	Y367 R369 S371 L372 Q377 R378	Y367-Y374 AromaticContact CD2-CE1 3.87Å; Y367-Y374 HydrophobicContact CD2-CE1 3.87Å; Y367-Y374 HydrophobicContact CG-CE1 4.17Å; R369-Y374 HydrophobicContact CB-CD1 3.97Å; R369-Y374 HydrophobicContact CB-CD2 4.18Å; R369-Y374 HydrophobicContact CB-CG 3.73Å; R369-Y374 WeakPolarHBondContact O-CD1 3.45Å; R369-Y374 WeakPolarHBondContact O-CE1 3.21Å; S371-Y374 WeakPolarHBondContact O-CA 3.4Å; S371-Y374 WeakPolarHBondContact O-CB 3.33Å; S371-Y374 PolarHBondContact O-N 3.11Å; L372-Y374 PolarHBondContact O-N 2.98Å; Y374-Q377 PolarHBondContact O-N 3.41Å; Y374-R378 WeakPolarHBondContact O-CB 3.4Å; Y374-R378 PolarHBondContact O-N 3.43Å
375	L	94.5	Very high	90.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-67.3	-43	174.2	-55.7	-177.4	0	0	0	110.8	A362 Y367 S371 L372 R378 F379 I416 M420	A362-L375 HydrophobicContact CB-CD2 4.24Å; Y367-L375 HydrophobicContact CD2-CD2 3.76Å; Y367-L375 HydrophobicContact CE2-CD2 3.87Å; S371-L375 PolarHBondContact O-N 2.95Å; L372-L375 WeakPolarHBondContact O-CA 3.41Å; L372-L375 PolarHBondContact O-N 3.44Å; L375-R378 PolarHBondContact O-N 2.7Å; L375-F379 HydrophobicContact CB-CD2 4.35Å; L375-F379 HydrophobicContact CD2-CE2 4.27Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 3.4Å; L375-I416 HydrophobicContact CB-CD1 4.04Å; L375-I416 HydrophobicContact CB-CG2 3.96Å; L375-I416 HydrophobicContact CD1-CG2 3.96Å; L375-M420 HydrophobicContact CD1-CE 4.38Å; L375-M420 HydrophobicContact CD1-SD 3.91Å; L375-M420 HydrophobicContact CD2-CE 4.14Å; L375-M420 HydrophobicContact CD2-SD 4.08Å
376	L	93.4	Very high	89.8	Confident	3 Å²	3	66 Å²	66	2%	0.016	34%	0.338	C	S	.	.	I	π-helix	trans	-54.9	-50	169.6	-71.4	167.5	0	0	0	111.4	L372 R378 V380 G381 I382 A384 Y412 I416	L372-L376 HydrophobicContact CD1-CD1 4.48Å; L372-L376 HydrophobicContact CD1-CG 4.25Å; L372-L376 HydrophobicContact CG-CD1 4.05Å; L372-L376 HydrophobicContact CG-CG 4.34Å; L372-L376 WeakPolarHBondContact O-CG 3.46Å; L372-L376 PolarHBondContact O-N 3.34Å; L376-R378 VanDerWaalsContact C-N 3.34Å; L376-R378 PolarHBondContact O-N 2.79Å; L376-V380 HydrophobicContact CD2-CG2 4.27Å; L376-V380 CarbonylContact O-C 3.58Å; L376-V380 WeakPolarHBondContact O-CA 3.5Å; L376-V380 VanDerWaalsContact O-CB 3.26Å; L376-V380 WeakPolarHBondContact O-CB 3.38Å; L376-V380 PolarHBondContact O-N 2.81Å; L376-G381 PolarHBondContact O-N 3.35Å; L376-I382 CarbonylContact C-O 3.55Å; L376-I382 PolarHBondContact O-N 2.84Å; L376-A384 HydrophobicContact CD1-CB 3.89Å; L376-Y412 HydrophobicContact CD2-CD2 3.52Å; L376-Y412 HydrophobicContact CD2-CG 3.79Å; L376-I416 HydrophobicContact CD2-CD1 4.03Å; L376-I416 HydrophobicContact CG-CD1 4.3Å
377	Q	93.3	Very high	89	Confident	69 Å²	69	60.3 Å²	60.3	32%	0.322	31%	0.311	S	S	.	.	I	π-helix	trans	-63.4	-38.2	177.4	-165.5	-169.9	14.6	0	0	112.5	Y374 G381 I382 Y383	Y374-Q377 PolarHBondContact O-N 3.41Å; Q377-G381 WeakPolarHBondContact O-CA 3.26Å; Q377-G381 PolarHBondContact O-N 3.18Å; Q377-I382 WeakPolarHBondContact CA-O 3.29Å; Q377-I382 PolarHBondContact N-O 2.81Å; Q377-Y383 HydrophobicContact CG-CE1 4.2Å; Q377-Y383 PolarHBondContact NE2-OH 2.88Å
378	R	92.9	Very high	88.4	Confident	99 Å²	99	60.4 Å²	60.4	37%	0.374	31%	0.312	S	S	.	.	I	π-helix	trans	-73.9	-46.1	-176.3	174.5	-178.3	171.4	127.2	-1.8	113.3	Y367 Y374 L375 L376 E423	Y367-R378 VanDerWaalsContact CE1-NH1 3.26Å; Y367-R378 PolarHBondContact OH-NH2 3.42Å; Y374-R378 WeakPolarHBondContact O-CB 3.4Å; Y374-R378 PolarHBondContact O-N 3.43Å; L375-R378 PolarHBondContact O-N 2.7Å; L376-R378 VanDerWaalsContact C-N 3.34Å; L376-R378 PolarHBondContact O-N 2.79Å; R378-E423 IonicContact CZ-OE1 3.97Å; R378-E423 IonicContact NE-OE1 3.48Å; R378-E423 VanDerWaalsContact NH2-CD 3.29Å; R378-E423 IonicContact NH2-OE1 2.93Å; R378-E423 PolarHBondContact NH2-OE1 3.48Å; R378-E423 IonicContact NH2-OE2 2.69Å; R378-E423 PolarHBondContact NH2-OE2 3.2Å
379	F	92.2	Very high	87.7	Confident	35 Å²	35	61.7 Å²	61.7	15%	0.154	30%	0.297	C	S	.	.	I	π-helix	trans	-99.3	-29.4	-171.3	-66.5	-66	0	0	0	113.3	Y367 L375 I416 R419 M420	Y367-F379 HydrophobicContact CE2-CE2 4.16Å; Y367-F379 HydrophobicContact CE2-CZ 4.15Å; Y367-F379 WeakPolarHBondContact OH-CZ 3.23Å; L375-F379 HydrophobicContact CB-CD2 4.35Å; L375-F379 HydrophobicContact CD2-CE2 4.27Å; L375-F379 WeakPolarHBondContact O-CD2 3.45Å; L375-F379 PolarHBondContact O-N 3.4Å; F379-I416 HydrophobicContact CB-CG1 4.2Å; F379-I416 HydrophobicContact CD2-CB 4.42Å; F379-I416 HydrophobicContact CD2-CG1 4.1Å; F379-I416 HydrophobicContact CD2-CG2 4.04Å; F379-I416 HydrophobicContact CE2-CG2 4.23Å; F379-R419 HydrophobicContact CD1-CB 3.97Å; F379-R419 HydrophobicContact CD1-CG 4.43Å; F379-R419 HydrophobicContact CE1-CB 3.81Å; F379-R419 HydrophobicContact CZ-CB 4.37Å; F379-M420 HydrophobicContact CE2-CG 3.61Å; F379-M420 HydrophobicContact CE2-SD 3.86Å; F379-M420 HydrophobicContact CZ-CG 3.62Å; F379-M420 HydrophobicContact CZ-SD 4.44Å
380	V	91.2	Very high	87.2	Confident	29 Å²	29	59.9 Å²	59.9	18%	0.176	30%	0.298	C	S	.	.	I	π-helix	trans	-112.1	-24.2	-173.3	-157.1	0	0	0	0	112.1	V250 L376 I382 Y412 I416	V250-V380 HydrophobicContact CG1-CG1 3.59Å; V250-V380 HydrophobicContact CG2-CG1 4.14Å; L376-V380 HydrophobicContact CD2-CG2 4.27Å; L376-V380 CarbonylContact O-C 3.58Å; L376-V380 WeakPolarHBondContact O-CA 3.5Å; L376-V380 VanDerWaalsContact O-CB 3.26Å; L376-V380 WeakPolarHBondContact O-CB 3.38Å; L376-V380 PolarHBondContact O-N 2.81Å; V380-I382 VanDerWaalsContact C-N 3.35Å; V380-I382 HydrophobicContact CB-CD1 4.37Å; V380-I382 HydrophobicContact CB-CG1 4.25Å; V380-I382 HydrophobicContact CG1-CD1 3.57Å; V380-I382 HydrophobicContact CG1-CG1 3.87Å; V380-Y412 HydrophobicContact CG1-CD1 3.6Å; V380-Y412 HydrophobicContact CG1-CE1 3.78Å; V380-Y412 HydrophobicContact CG1-CG 4.22Å; V380-Y412 HydrophobicContact CG2-CD1 4.2Å; V380-Y412 HydrophobicContact CG2-CG 4.22Å; V380-I416 HydrophobicContact CG2-CD1 4.39Å; V380-I416 HydrophobicContact CG2-CG1 4.38Å
381	G	90.1	Very high	86.8	Confident	50 Å²	50	55.7 Å²	55.7	52%	0.515	28%	0.282	S	S	.	.			trans	83.5	5.7	-175.3	0	0	0	0	0	114.6	L376 Q377	L376-G381 PolarHBondContact O-N 3.35Å; Q377-G381 WeakPolarHBondContact O-CA 3.26Å; Q377-G381 PolarHBondContact O-N 3.18Å
382	I	86.9	Confident	86.7	Confident	63 Å²	63	54.6 Å²	54.6	32%	0.323	27%	0.273	S	S	.	.			trans	-91.5	141.6	-173.4	-62.6	178.5	0	0	0	111.6	L376 Q377 V380 Y412	L376-I382 CarbonylContact C-O 3.55Å; L376-I382 PolarHBondContact O-N 2.84Å; Q377-I382 WeakPolarHBondContact CA-O 3.29Å; Q377-I382 PolarHBondContact N-O 2.81Å; V380-I382 VanDerWaalsContact C-N 3.35Å; V380-I382 HydrophobicContact CB-CD1 4.37Å; V380-I382 HydrophobicContact CB-CG1 4.25Å; V380-I382 HydrophobicContact CG1-CD1 3.57Å; V380-I382 HydrophobicContact CG1-CG1 3.87Å; I382-Y412 HydrophobicContact CD1-CD2 4.46Å; I382-Y412 HydrophobicContact CD1-CE1 3.84Å; I382-Y412 HydrophobicContact CD1-CE2 3.71Å; I382-Y412 WeakPolarHBondContact CD1-OH 3.28Å
383	Y	85.5	Confident	86.6	Confident	180 Å²	180	54.1 Å²	54.1	71%	0.706	27%	0.27	S	S	*	.			trans	-97.7	109.2	174.2	-68.4	-89.6	0	0	0	110.8	Q377	Q377-Y383 HydrophobicContact CG-CE1 4.2Å; Q377-Y383 PolarHBondContact NE2-OH 2.88Å
384	A	79.4	Confident	86.6	Confident	27 Å²	27	53.4 Å²	53.4	22%	0.223	26%	0.263	C	S	.	.			trans	-68.5	130.4	-179.3	0	0	0	0	0	112.9	L376 K386	L376-A384 HydrophobicContact CD1-CB 3.89Å; A384-K386 PolarHBondContact O-N 3.19Å; A384-K386 VanDerWaalsContact O-N 3.16Å
385	N	76.9	Confident	86.4	Confident	84 Å²	84	51.7 Å²	51.7	45%	0.449	26%	0.257	S	S	.	.			trans	-84.2	85.1	-173.7	179.9	10.5	0	0	0	112.5	K387 Y405	N385-K387 PolarHBondContact O-N 3.2Å; N385-K387 WeakPolarHBondContact OD1-CB 3.34Å; N385-K387 PolarHBondContact OD1-N 2.95Å; N385-Y405 VanDerWaalsContact O-CD2 3.3Å; N385-Y405 WeakPolarHBondContact O-CD2 3.28Å; N385-Y405 WeakPolarHBondContact O-CE2 3.48Å
386	K	77.4	Confident	86.3	Confident	112 Å²	112	54.9 Å²	54.9	49%	0.487	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	13.4	-175.8	-51.6	-161.6	178.9	-155.3	0	116.4	S373 A384 Y388	S373-K386 VanDerWaalsContact CB-CE 3.5Å; S373-K386 WeakPolarHBondContact OG-CE 3.38Å; S373-K386 PolarHBondContact OG-NZ 3.42Å; A384-K386 PolarHBondContact O-N 3.19Å; A384-K386 VanDerWaalsContact O-N 3.16Å; K386-Y388 VanDerWaalsContact C-N 3.3Å; K386-Y388 PolarHBondContact O-N 3.4Å
387	K	76.8	Confident	86.2	Confident	46 Å²	46	58.4 Å²	58.4	20%	0.2	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.2	-177.7	179.8	167.4	-93.1	144.5	0	113.2	E165 S167 K169 N385	E165-K387 PolarHBondContact O-NZ 3.38Å; S167-K387 WeakPolarHBondContact O-CE 3.49Å; K169-K387 HydrophobicContact CB-CD 4.41Å; K169-K387 HydrophobicContact CB-CG 4.37Å; K169-K387 HydrophobicContact CD-CD 4.29Å; K169-K387 HydrophobicContact CG-CD 4.42Å; N385-K387 PolarHBondContact O-N 3.2Å; N385-K387 WeakPolarHBondContact OD1-CB 3.34Å; N385-K387 PolarHBondContact OD1-N 2.95Å
388	Y	79.6	Confident	86.1	Confident	13 Å²	13	55.8 Å²	55.8	5%	0.051	28%	0.28	C	S	.	.	S	Bend	trans	-107.7	-2.1	-171.6	-55.8	-62.5	0	0	0	115.3	L171 K386 L390 A391 E401 L402 Y405	L171-Y388 HydrophobicContact CD1-CD1 4.13Å; L171-Y388 HydrophobicContact CD1-CE1 3.93Å; K386-Y388 VanDerWaalsContact C-N 3.3Å; K386-Y388 PolarHBondContact O-N 3.4Å; Y388-L390 PolarHBondContact O-N 3.2Å; Y388-A391 WeakPolarHBondContact O-CB 3.48Å; Y388-A391 PolarHBondContact O-N 3Å; Y388-E401 HydrophobicContact CE2-CB 3.94Å; Y388-E401 WeakPolarHBondContact OH-CB 3.45Å; Y388-L402 HydrophobicContact CD1-CD2 3.55Å; Y388-L402 HydrophobicContact CD2-CD2 4.33Å; Y388-L402 HydrophobicContact CE1-CD2 4.29Å; Y388-L402 HydrophobicContact CG-CD2 3.58Å; Y388-Y405 HydrophobicContact CD2-CD2 4.04Å; Y388-Y405 HydrophobicContact CD2-CG 4.3Å
389	Q	76.3	Confident	86	Confident	103 Å²	103	52 Å²	52	48%	0.481	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-12.8	179.7	-165.2	178.2	15.5	0	0	114.8
390	L	81.5	Confident	85.9	Confident	117 Å²	117	55.4 Å²	55.4	61%	0.613	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.1	26.9	175.3	-61.1	174.8	0	0	0	111.9	Y388 P588	Y388-L390 PolarHBondContact O-N 3.2Å; L390-P588 HydrophobicContact CD2-CG 4.49Å
391	A	83.3	Confident	85.8	Confident	11 Å²	11	58.1 Å²	58.1	9%	0.091	30%	0.299	C	S	.	.	S	Bend	trans	-74.5	160	175.3	0	0	0	0	0	111.9	Y388 W393 L402	Y388-A391 WeakPolarHBondContact O-CB 3.48Å; Y388-A391 PolarHBondContact O-N 3Å; A391-W393 PolarHBondContact O-N 2.99Å; A391-L402 HydrophobicContact CB-CD2 4.09Å
392	D	89.2	Confident	85.9	Confident	22 Å²	22	55.8 Å²	55.8	12%	0.118	27%	0.274	C	S	.	.			trans	-86.2	85.3	172.4	-162.2	-18.2	0	0	0	110.4	I176 H286 R394 I395	I176-D392 HydrophobicContact CD1-CB 4.1Å; I176-D392 WeakPolarHBondContact CD1-OD2 3.22Å; H286-D392 IonicContact CE1-OD1 3.24Å; H286-D392 PolarHBondContact CE1-OD1 3.39Å; H286-D392 IonicContact CE1-OD2 2.74Å; H286-D392 IonicContact ND1-OD1 3.7Å; H286-D392 PolarHBondContact ND1-OD1 3.07Å; H286-D392 VanDerWaalsContact ND1-OD1 3.1Å; D392-R394 PolarHBondContact O-N 2.9Å; D392-R394 WeakPolarHBondContact OD1-CB 3.36Å; D392-R394 WeakPolarHBondContact OD1-CG 3.29Å; D392-R394 IonicContact OD1-CZ 2.84Å; D392-R394 PolarHBondContact OD1-N 3.1Å; D392-R394 IonicContact OD1-NE 2.96Å; D392-R394 PolarHBondContact OD1-NE 3.1Å; D392-R394 IonicContact OD1-NH2 3.62Å; D392-R394 PolarHBondContact OD1-NH2 3.1Å; D392-R394 IonicContact OD2-CZ 3.94Å; D392-R394 IonicContact OD2-NE 2.72Å; D392-R394 IonicContact OD2-NH2 2.76Å; D392-R394 PolarHBondContact OD2-NH2 3.11Å; D392-I395 HydrophobicContact CB-CD1 4.25Å; D392-I395 HydrophobicContact CB-CG1 4.41Å; D392-I395 WeakPolarHBondContact O-CB 3.39Å; D392-I395 WeakPolarHBondContact O-CD1 3.36Å; D392-I395 VanDerWaalsContact O-CG1 3.22Å; D392-I395 WeakPolarHBondContact O-CG1 3.36Å; D392-I395 PolarHBondContact O-N 3.1Å
393	W	91.9	Very high	86.1	Confident	3 Å²	3	53.3 Å²	53.3	1%	0.011	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-2.2	-179	-69.7	111.2	0	0	0	115.9	E284 C296 L297 A391 I395 R396 L398 L402 Y405 A406	E284-W393 HydrophobicContact CB-CB 4.24Å; E284-W393 HydrophobicContact CB-CD2 3.84Å; E284-W393 HydrophobicContact CB-CE3 4.28Å; E284-W393 HydrophobicContact CB-CG 3.78Å; E284-W393 HydrophobicContact CG-CD2 3.74Å; E284-W393 HydrophobicContact CG-CE3 4.04Å; E284-W393 HydrophobicContact CG-CG 4.19Å; E284-W393 HydrophobicContact CG-CH2 4.13Å; E284-W393 HydrophobicContact CG-CZ2 3.85Å; E284-W393 HydrophobicContact CG-CZ3 4.2Å; E284-W393 WeakPolarHBondContact OE1-CZ2 3.44Å; E284-W393 VanDerWaalsContact OE2-CD1 3.31Å; E284-W393 PolarHBondContact OE2-NE1 3.42Å; C296-W393 HydrophobicContact CB-CB 3.73Å; C296-W393 WeakPolarHBondContact CB-O 3.18Å; L297-W393 HydrophobicContact CD2-CE3 4.34Å; L297-W393 HydrophobicContact CD2-CZ3 4.17Å; A391-W393 PolarHBondContact O-N 2.99Å; W393-I395 VanDerWaalsContact C-N 3.29Å; W393-R396 PolarHBondContact O-NH1 2.96Å; W393-L398 HydrophobicContact CE3-CD2 4.12Å; W393-L398 HydrophobicContact CZ3-CD2 4.44Å; W393-L402 HydrophobicContact CE3-CB 4.46Å; W393-L402 HydrophobicContact CE3-CD1 4.17Å; W393-L402 HydrophobicContact CH2-CB 3.88Å; W393-L402 HydrophobicContact CH2-CD2 3.94Å; W393-L402 HydrophobicContact CH2-CG 4.34Å; W393-L402 WeakPolarHBondContact CH2-O 3.49Å; W393-L402 HydrophobicContact CZ2-CD2 4.23Å; W393-L402 HydrophobicContact CZ3-CB 3.63Å; W393-L402 HydrophobicContact CZ3-CD1 4.13Å; W393-L402 HydrophobicContact CZ3-CD2 4.29Å; W393-L402 HydrophobicContact CZ3-CG 4.23Å; W393-Y405 AromaticContact CH2-CD1 3.81Å; W393-Y405 HydrophobicContact CH2-CD1 3.81Å; W393-Y405 AromaticContact CZ2-CD1 3.7Å; W393-Y405 HydrophobicContact CZ2-CD1 3.7Å; W393-Y405 HydrophobicContact CZ2-CE1 4.05Å; W393-A406 HydrophobicContact CH2-CB 4.07Å; W393-A406 HydrophobicContact CZ3-CB 4.19Å
394	R	92.3	Very high	86.4	Confident	12 Å²	12	50.1 Å²	50.1	5%	0.045	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-5.7	170	-51.9	174.7	-56.3	127.7	16.2	113.1	I176 P179 H286 C296 L312 D392	I176-R394 HydrophobicContact CG2-CB 4.2Å; P179-R394 HydrophobicContact CG-CG 4.38Å; H286-R394 HydrophobicContact CB-CG 4.13Å; H286-R394 PolarHBondContact CE1-NE 3.29Å; H286-R394 PolarHBondContact NE2-NE 3.21Å; C296-R394 VanDerWaalsContact SG-CG 3.55Å; L312-R394 HydrophobicContact CD1-CB 4.34Å; L312-R394 HydrophobicContact CD1-CG 4.5Å; D392-R394 PolarHBondContact O-N 2.9Å; D392-R394 WeakPolarHBondContact OD1-CB 3.36Å; D392-R394 WeakPolarHBondContact OD1-CG 3.29Å; D392-R394 IonicContact OD1-CZ 2.84Å; D392-R394 PolarHBondContact OD1-N 3.1Å; D392-R394 IonicContact OD1-NE 2.96Å; D392-R394 PolarHBondContact OD1-NE 3.1Å; D392-R394 IonicContact OD1-NH2 3.62Å; D392-R394 PolarHBondContact OD1-NH2 3.1Å; D392-R394 IonicContact OD2-CZ 3.94Å; D392-R394 IonicContact OD2-NE 2.72Å; D392-R394 IonicContact OD2-NH2 2.76Å; D392-R394 PolarHBondContact OD2-NH2 3.11Å
395	I	90.6	Very high	87	Confident	7 Å²	7	50.1 Å²	50.1	4%	0.036	25%	0.248	C	C	.	.			trans	-61.6	133.9	174.2	-72.4	167.2	0	0	0	109.9	L133 L171 I176 D392 W393 L398	L133-I395 HydrophobicContact CD2-CG2 4.3Å; L171-I395 HydrophobicContact CB-CD1 4.05Å; L171-I395 WeakPolarHBondContact O-CD1 3.41Å; I176-I395 HydrophobicContact CD1-CD1 4.23Å; I176-I395 HydrophobicContact CD1-CG1 3.55Å; I176-I395 HydrophobicContact CG1-CG1 4.27Å; D392-I395 HydrophobicContact CB-CD1 4.25Å; D392-I395 HydrophobicContact CB-CG1 4.41Å; D392-I395 WeakPolarHBondContact O-CB 3.39Å; D392-I395 WeakPolarHBondContact O-CD1 3.36Å; D392-I395 VanDerWaalsContact O-CG1 3.22Å; D392-I395 WeakPolarHBondContact O-CG1 3.36Å; D392-I395 PolarHBondContact O-N 3.1Å; W393-I395 VanDerWaalsContact C-N 3.29Å; I395-L398 WeakPolarHBondContact O-CD2 3.41Å
396	R	90.8	Very high	87.8	Confident	67 Å²	67	46.1 Å²	46.1	25%	0.253	23%	0.226	S	C	.	.	S	Bend	trans	-140.4	139.3	172.6	-66.2	-62.6	-176.5	-86.9	-2	109.8	Y259 C296 D310 W393	Y259-R396 PolarHBondContact OH-NE 3.28Å; C296-R396 PolarHBondContact O-NH2 2.82Å; D310-R396 IonicContact OD1-CZ 2.89Å; D310-R396 IonicContact OD1-NE 2.75Å; D310-R396 IonicContact OD1-NH2 2.68Å; D310-R396 PolarHBondContact OD1-NH2 2.94Å; D310-R396 IonicContact OD2-CZ 2.72Å; D310-R396 IonicContact OD2-NE 2.78Å; D310-R396 PolarHBondContact OD2-NE 2.83Å; D310-R396 IonicContact OD2-NH2 2.63Å; D310-R396 PolarHBondContact OD2-NH2 3.45Å; W393-R396 PolarHBondContact O-NH1 2.96Å
397	P	91.5	Very high	88.5	Confident	78 Å²	78	41.1 Å²	41.1	51%	0.506	21%	0.205	S	C	.	.	S	Bend	cis	-60.4	154	-11.4	29	-35.8	0	0	0	111.3
398	L	90.8	Very high	89.3	Confident	13 Å²	13	40 Å²	40	7%	0.068	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-74	128.6	175.9	-76.5	169.3	0	0	0	109.5	Y259 L297 W393 I395 L402 I403	Y259-L398 HydrophobicContact CE2-CD1 4.21Å; L297-L398 HydrophobicContact CD1-CD1 3.71Å; L297-L398 HydrophobicContact CD2-CD1 4.12Å; W393-L398 HydrophobicContact CE3-CD2 4.12Å; W393-L398 HydrophobicContact CZ3-CD2 4.44Å; I395-L398 WeakPolarHBondContact O-CD2 3.41Å; L398-L402 HydrophobicContact CD2-CB 4.39Å; L398-L402 HydrophobicContact CD2-CD1 3.91Å; L398-I403 HydrophobicContact CB-CD1 4.17Å; L398-I403 HydrophobicContact CB-CG1 3.93Å
399	P	91.3	Very high	89.9	Confident	19 Å²	19	40.1 Å²	40.1	12%	0.123	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-61	148.3	170.5	-22.9	34.4	0	0	0	111.6	L133 E401 L402 I403	L133-P399 HydrophobicContact CD1-CG 4.04Å; L133-P399 HydrophobicContact CD2-CG 4.5Å; P399-E401 WeakPolarHBondContact CB-OE2 3.41Å; P399-E401 PolarHBondContact O-N 3.13Å; P399-E401 VanDerWaalsContact O-N 3.14Å; P399-L402 WeakPolarHBondContact O-CB 3.41Å; P399-L402 PolarHBondContact O-N 2.66Å; P399-I403 PolarHBondContact O-N 3.04Å
400	N	90.6	Very high	90.8	Very high	108 Å²	108	35.3 Å²	35.3	58%	0.578	18%	0.181	S	C	*	.	H	α-helix	trans	-55.7	-35.1	-178.9	-69.6	-4.4	0	0	0	112.3	L402 I403 E404	N400-L402 VanDerWaalsContact C-N 3.25Å; N400-L402 PolarHBondContact O-N 3.38Å; N400-I403 PolarHBondContact O-N 3.41Å; N400-I403 VanDerWaalsContact O-N 3.1Å; N400-E404 WeakPolarHBondContact O-CG 3.17Å; N400-E404 PolarHBondContact O-N 2.97Å
401	E	89.3	Confident	91.4	Very high	86 Å²	86	31.1 Å²	31.1	40%	0.402	16%	0.159	S	C	.	.	H	α-helix	trans	-67.7	-24.2	179	-48.4	100.4	121.5	0	0	113.3	Y388 P399 Y405	Y388-E401 HydrophobicContact CE2-CB 3.94Å; Y388-E401 WeakPolarHBondContact OH-CB 3.45Å; P399-E401 WeakPolarHBondContact CB-OE2 3.41Å; P399-E401 PolarHBondContact O-N 3.13Å; P399-E401 VanDerWaalsContact O-N 3.14Å; E401-Y405 WeakPolarHBondContact O-CB 3.25Å; E401-Y405 PolarHBondContact O-N 2.86Å
402	L	91.2	Very high	92	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-79.2	-35.7	170.9	-69.5	-165.2	0	0	0	111.4	L171 Y388 A391 W393 L398 P399 N400 A406	L171-L402 HydrophobicContact CD1-CD1 4.22Å; L171-L402 HydrophobicContact CD1-CD2 4Å; L171-L402 HydrophobicContact CD1-CG 4.03Å; Y388-L402 HydrophobicContact CD1-CD2 3.55Å; Y388-L402 HydrophobicContact CD2-CD2 4.33Å; Y388-L402 HydrophobicContact CE1-CD2 4.29Å; Y388-L402 HydrophobicContact CG-CD2 3.58Å; A391-L402 HydrophobicContact CB-CD2 4.09Å; W393-L402 HydrophobicContact CE3-CB 4.46Å; W393-L402 HydrophobicContact CE3-CD1 4.17Å; W393-L402 HydrophobicContact CH2-CB 3.88Å; W393-L402 HydrophobicContact CH2-CD2 3.94Å; W393-L402 HydrophobicContact CH2-CG 4.34Å; W393-L402 WeakPolarHBondContact CH2-O 3.49Å; W393-L402 HydrophobicContact CZ2-CD2 4.23Å; W393-L402 HydrophobicContact CZ3-CB 3.63Å; W393-L402 HydrophobicContact CZ3-CD1 4.13Å; W393-L402 HydrophobicContact CZ3-CD2 4.29Å; W393-L402 HydrophobicContact CZ3-CG 4.23Å; L398-L402 HydrophobicContact CD2-CB 4.39Å; L398-L402 HydrophobicContact CD2-CD1 3.91Å; P399-L402 WeakPolarHBondContact O-CB 3.41Å; P399-L402 PolarHBondContact O-N 2.66Å; N400-L402 VanDerWaalsContact C-N 3.25Å; N400-L402 PolarHBondContact O-N 3.38Å; L402-A406 VanDerWaalsContact O-CB 3.29Å; L402-A406 WeakPolarHBondContact O-CB 3.32Å; L402-A406 PolarHBondContact O-N 3.46Å
403	I	93	Very high	92.2	Very high	11 Å²	11	30.3 Å²	30.3	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-68.5	-43.8	176.9	-60.7	176.4	0	0	0	110.7	Y257 I308 L398 P399 N400 A406 R407	Y257-I403 HydrophobicContact CD1-CG2 4.48Å; Y257-I403 HydrophobicContact CD2-CG2 4.11Å; Y257-I403 HydrophobicContact CE1-CG2 4.11Å; Y257-I403 HydrophobicContact CE2-CD1 4.4Å; Y257-I403 HydrophobicContact CE2-CG2 3.7Å; Y257-I403 HydrophobicContact CG-CG2 4.49Å; I308-I403 HydrophobicContact CG1-CG2 4.47Å; L398-I403 HydrophobicContact CB-CD1 4.17Å; L398-I403 HydrophobicContact CB-CG1 3.93Å; P399-I403 PolarHBondContact O-N 3.04Å; N400-I403 PolarHBondContact O-N 3.41Å; N400-I403 VanDerWaalsContact O-N 3.1Å; I403-A406 PolarHBondContact O-N 3.21Å; I403-R407 WeakPolarHBondContact O-CB 3.34Å; I403-R407 WeakPolarHBondContact O-CG 3.41Å; I403-R407 PolarHBondContact O-N 3.06Å
404	E	91.1	Very high	92.3	Very high	113 Å²	113	30.4 Å²	30.4	53%	0.528	15%	0.152	S	C	.	.	H	α-helix	trans	-61.7	-42.8	174.3	-74.2	175	-171.1	0	0	112	N400 S408	N400-E404 WeakPolarHBondContact O-CG 3.17Å; N400-E404 PolarHBondContact O-N 2.97Å; E404-S408 WeakPolarHBondContact O-CB 3.22Å; E404-S408 PolarHBondContact O-N 2.88Å; E404-S408 VanDerWaalsContact O-N 3.11Å
405	Y	91.5	Very high	92.3	Very high	27 Å²	27	30.5 Å²	30.5	11%	0.106	15%	0.154	C	C	.	.	H	α-helix	trans	-58.3	-57.2	173.6	179.2	-82.4	0	0	0	110.6	E284 N385 Y388 W393 E401 R407 S408 D409	E284-Y405 VanDerWaalsContact OE1-CE1 3.26Å; E284-Y405 WeakPolarHBondContact OE1-CE1 3.26Å; N385-Y405 VanDerWaalsContact O-CD2 3.3Å; N385-Y405 WeakPolarHBondContact O-CD2 3.28Å; N385-Y405 WeakPolarHBondContact O-CE2 3.48Å; Y388-Y405 HydrophobicContact CD2-CD2 4.04Å; Y388-Y405 HydrophobicContact CD2-CG 4.3Å; W393-Y405 AromaticContact CH2-CD1 3.81Å; W393-Y405 HydrophobicContact CH2-CD1 3.81Å; W393-Y405 AromaticContact CZ2-CD1 3.7Å; W393-Y405 HydrophobicContact CZ2-CD1 3.7Å; W393-Y405 HydrophobicContact CZ2-CE1 4.05Å; E401-Y405 WeakPolarHBondContact O-CB 3.25Å; E401-Y405 PolarHBondContact O-N 2.86Å; Y405-R407 VanDerWaalsContact C-N 3.33Å; Y405-R407 PolarHBondContact O-N 3.41Å; Y405-S408 WeakPolarHBondContact O-CB 3.29Å; Y405-S408 PolarHBondContact O-N 3.19Å; Y405-S408 PolarHBondContact O-OG 3.47Å; Y405-D409 WeakPolarHBondContact CE1-OD2 3.13Å
406	A	93.3	Very high	92.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-38.8	-174.6	0	0	0	0	0	112.7	L297 Q299 I308 W393 L402 I403 S408	L297-A406 HydrophobicContact CD2-CB 3.87Å; Q299-A406 HydrophobicContact CG-CB 3.82Å; Q299-A406 WeakPolarHBondContact CG-O 3.46Å; I308-A406 HydrophobicContact CD1-CB 4.16Å; W393-A406 HydrophobicContact CH2-CB 4.07Å; W393-A406 HydrophobicContact CZ3-CB 4.19Å; L402-A406 VanDerWaalsContact O-CB 3.29Å; L402-A406 WeakPolarHBondContact O-CB 3.32Å; L402-A406 PolarHBondContact O-N 3.46Å; I403-A406 PolarHBondContact O-N 3.21Å; A406-S408 VanDerWaalsContact C-N 3.35Å
407	R	93.4	Very high	92.7	Very high	8 Å²	8	27 Å²	27	3%	0.03	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-36.8	172.3	-72.8	176.5	63.1	-162.3	1.2	112.6	L253 D254 S256 D306 I308 I403 Y405 D409 T410 H411	L253-R407 HydrophobicContact CD1-CB 3.92Å; D254-R407 VanDerWaalsContact O-CZ 3.29Å; D254-R407 PolarHBondContact O-NH1 3.28Å; D254-R407 PolarHBondContact O-NH2 2.92Å; D254-R407 IonicContact OD1-NH2 2.64Å; S256-R407 PolarHBondContact O-NH2 2.85Å; D306-R407 HydrophobicContact CB-CG 4.27Å; D306-R407 IonicContact OD2-CZ 2.76Å; D306-R407 VanDerWaalsContact OD2-CZ 3.23Å; D306-R407 IonicContact OD2-NE 3.58Å; D306-R407 PolarHBondContact OD2-NE 2.56Å; D306-R407 IonicContact OD2-NH2 3.62Å; D306-R407 PolarHBondContact OD2-NH2 3.45Å; I308-R407 HydrophobicContact CD1-CG 3.78Å; I308-R407 HydrophobicContact CG1-CG 3.89Å; I403-R407 WeakPolarHBondContact O-CB 3.34Å; I403-R407 WeakPolarHBondContact O-CG 3.41Å; I403-R407 PolarHBondContact O-N 3.06Å; Y405-R407 VanDerWaalsContact C-N 3.33Å; Y405-R407 PolarHBondContact O-N 3.41Å; R407-D409 PolarHBondContact O-N 2.87Å; R407-T410 PolarHBondContact O-N 2.73Å; R407-T410 PolarHBondContact O-OG1 3.16Å; R407-H411 WeakPolarHBondContact O-CB 3.48Å; R407-H411 PolarHBondContact O-N 3.02Å
408	S	92	Very high	92.7	Very high	21 Å²	21	23.3 Å²	23.3	15%	0.147	12%	0.116	C	C	.	.	H	α-helix	trans	-64.7	-25	-173.7	77.4	0	0	0	0	113.8	E404 Y405 A406	E404-S408 WeakPolarHBondContact O-CB 3.22Å; E404-S408 PolarHBondContact O-N 2.88Å; E404-S408 VanDerWaalsContact O-N 3.11Å; Y405-S408 WeakPolarHBondContact O-CB 3.29Å; Y405-S408 PolarHBondContact O-N 3.19Å; Y405-S408 PolarHBondContact O-OG 3.47Å; A406-S408 VanDerWaalsContact C-N 3.35Å
409	D	93.5	Very high	92.8	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-77.4	-29.9	178.3	-68.9	-58.3	0	0	0	112.8	L372 Y405 R407	L372-D409 HydrophobicContact CD2-CB 3.81Å; L372-D409 VanDerWaalsContact CD2-OD1 3.3Å; L372-D409 WeakPolarHBondContact CD2-OD1 3.4Å; Y405-D409 WeakPolarHBondContact CE1-OD2 3.13Å; R407-D409 PolarHBondContact O-N 2.87Å
410	T	94.9	Very high	92.9	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.006	12%	0.122	C	C	.	.	H	α-helix	trans	-97.3	-36.5	175.7	55.1	0	0	0	0	115	A280 D282 Q299 S301 R407 Y412 L413	A280-T410 WeakPolarHBondContact CB-O 3.01Å; D282-T410 HydrophobicContact CB-CG2 3.48Å; D282-T410 VanDerWaalsContact CB-CG2 3.48Å; Q299-T410 HydrophobicContact CB-CG2 3.72Å; S301-T410 VanDerWaalsContact OG-CB 3.3Å; S301-T410 WeakPolarHBondContact OG-CB 3.28Å; S301-T410 PolarHBondContact OG-OG1 3.13Å; R407-T410 PolarHBondContact O-N 2.73Å; R407-T410 PolarHBondContact O-OG1 3.16Å; T410-Y412 VanDerWaalsContact C-N 3.29Å; T410-Y412 PolarHBondContact O-N 2.76Å; T410-Y412 VanDerWaalsContact O-N 3.16Å; T410-L413 VanDerWaalsContact O-CB 3.24Å; T410-L413 WeakPolarHBondContact O-CB 3.49Å; T410-L413 PolarHBondContact O-N 3.45Å
411	H	94.7	Very high	93	Very high	29 Å²	29	20.8 Å²	20.8	13%	0.134	10%	0.095	C	C	.	.	H	α-helix	trans	-54.5	-41.5	-169.8	-176.5	98	0	0	0	113.4	K251 P252 L253 S301 D306 R407	K251-H411 PolarHBondContact O-NE2 2.78Å; P252-H411 PolarHBondContact O-NE2 2.72Å; L253-H411 HydrophobicContact CD1-CB 4.19Å; S301-H411 WeakPolarHBondContact OG-CA 3.35Å; S301-H411 PolarHBondContact OG-N 3.1Å; D306-H411 IonicContact OD1-CG 2.81Å; D306-H411 IonicContact OD1-ND1 3.63Å; D306-H411 PolarHBondContact OD1-ND1 3.45Å; D306-H411 IonicContact OD2-CE1 3.52Å; D306-H411 IonicContact OD2-CG 3.4Å; D306-H411 IonicContact OD2-ND1 2.7Å; D306-H411 PolarHBondContact OD2-ND1 3.18Å; R407-H411 WeakPolarHBondContact O-CB 3.48Å; R407-H411 PolarHBondContact O-N 3.02Å
412	Y	94.3	Very high	93	Very high	15 Å²	15	20 Å²	20	6%	0.059	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-8.4	-179.2	-59.5	-68.4	0	0	0	114.2	V250 K251 L253 L376 V380 I382 T410 L414 H415 I416	V250-Y412 HydrophobicContact CG1-CD1 4.17Å; V250-Y412 HydrophobicContact CG1-CE1 3.92Å; K251-Y412 WeakPolarHBondContact O-CE1 3.35Å; L253-Y412 PolarHBondContact N-OH 3.12Å; L376-Y412 HydrophobicContact CD2-CD2 3.52Å; L376-Y412 HydrophobicContact CD2-CG 3.79Å; V380-Y412 HydrophobicContact CG1-CD1 3.6Å; V380-Y412 HydrophobicContact CG1-CE1 3.78Å; V380-Y412 HydrophobicContact CG1-CG 4.22Å; V380-Y412 HydrophobicContact CG2-CD1 4.2Å; V380-Y412 HydrophobicContact CG2-CG 4.22Å; I382-Y412 HydrophobicContact CD1-CD2 4.46Å; I382-Y412 HydrophobicContact CD1-CE1 3.84Å; I382-Y412 HydrophobicContact CD1-CE2 3.71Å; I382-Y412 WeakPolarHBondContact CD1-OH 3.28Å; T410-Y412 VanDerWaalsContact C-N 3.29Å; T410-Y412 PolarHBondContact O-N 2.76Å; T410-Y412 VanDerWaalsContact O-N 3.16Å; Y412-L414 PolarHBondContact O-N 2.99Å; Y412-H415 PolarHBondContact O-N 2.84Å; Y412-I416 WeakPolarHBondContact O-CG1 3.46Å; Y412-I416 PolarHBondContact O-N 3.08Å; Y412-I416 VanDerWaalsContact O-N 3.1Å
413	L	94.7	Very high	93.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-70.9	-32.1	-164	-166.7	66.8	0	0	0	112.6	A280 V333 H335 T358 L372 T410 I416 A417	A280-L413 HydrophobicContact CB-CB 3.84Å; A280-L413 HydrophobicContact CB-CD2 4.05Å; A280-L413 HydrophobicContact CB-CG 4.37Å; V333-L413 HydrophobicContact CG1-CD2 4.03Å; V333-L413 HydrophobicContact CG1-CG 3.8Å; H335-L413 HydrophobicContact CB-CD1 4.2Å; T358-L413 HydrophobicContact CG2-CD1 3.97Å; L372-L413 HydrophobicContact CD1-CD1 3.8Å; T410-L413 VanDerWaalsContact O-CB 3.24Å; T410-L413 WeakPolarHBondContact O-CB 3.49Å; T410-L413 PolarHBondContact O-N 3.45Å; L413-I416 PolarHBondContact O-N 3.45Å; L413-A417 VanDerWaalsContact O-CB 3.32Å; L413-A417 WeakPolarHBondContact O-CB 3.25Å; L413-A417 PolarHBondContact O-N 2.89Å
414	L	93.9	Very high	93.1	Very high	5 Å²	5	21.4 Å²	21.4	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-40.5	173	-67.3	-178.3	0	0	0	112.6	F248 A280 L303 V333 Y412 A417 S418	F248-L414 HydrophobicContact CD2-CB 4.48Å; A280-L414 HydrophobicContact CB-CD2 4.09Å; A280-L414 HydrophobicContact CB-CG 3.95Å; L303-L414 HydrophobicContact CD2-CB 4.33Å; L303-L414 HydrophobicContact CD2-CD1 3.79Å; L303-L414 HydrophobicContact CG-CD1 4.19Å; V333-L414 HydrophobicContact CB-CD2 4.21Å; V333-L414 HydrophobicContact CG2-CD2 3.83Å; Y412-L414 PolarHBondContact O-N 2.99Å; L414-A417 PolarHBondContact O-N 3.13Å; L414-S418 PolarHBondContact O-N 2.7Å
415	H	92.9	Very high	93	Very high	15 Å²	15	20.1 Å²	20.1	7%	0.069	9%	0.088	C	C	.	.	H	α-helix	trans	-64.4	-47.1	175	174	84.2	0	0	0	111	F248 Y412 A417 S418 R419	F248-H415 PolarHBondContact O-ND1 3.39Å; Y412-H415 PolarHBondContact O-N 2.84Å; H415-A417 VanDerWaalsContact C-N 3.3Å; H415-A417 PolarHBondContact O-N 3.04Å; H415-S418 PolarHBondContact O-N 3.42Å; H415-R419 WeakPolarHBondContact O-CG 3.5Å; H415-R419 PolarHBondContact O-N 3.4Å; H415-R419 VanDerWaalsContact O-N 3.13Å
416	I	94.2	Very high	93	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-57.3	-45.7	176	-69.5	168.7	0	0	0	110.1	T358 L372 L375 L376 F379 V380 Y412 L413 R419 M420	T358-I416 HydrophobicContact CG2-CG2 4.18Å; L372-I416 HydrophobicContact CD1-CD1 4.17Å; L375-I416 HydrophobicContact CB-CD1 4.04Å; L375-I416 HydrophobicContact CB-CG2 3.96Å; L375-I416 HydrophobicContact CD1-CG2 3.96Å; L376-I416 HydrophobicContact CD2-CD1 4.03Å; L376-I416 HydrophobicContact CG-CD1 4.3Å; F379-I416 HydrophobicContact CB-CG1 4.2Å; F379-I416 HydrophobicContact CD2-CB 4.42Å; F379-I416 HydrophobicContact CD2-CG1 4.1Å; F379-I416 HydrophobicContact CD2-CG2 4.04Å; F379-I416 HydrophobicContact CE2-CG2 4.23Å; V380-I416 HydrophobicContact CG2-CD1 4.39Å; V380-I416 HydrophobicContact CG2-CG1 4.38Å; Y412-I416 WeakPolarHBondContact O-CG1 3.46Å; Y412-I416 PolarHBondContact O-N 3.08Å; Y412-I416 VanDerWaalsContact O-N 3.1Å; L413-I416 PolarHBondContact O-N 3.45Å; I416-R419 PolarHBondContact O-N 3.04Å; I416-M420 HydrophobicContact CG2-CG 4.36Å; I416-M420 HydrophobicContact CG2-SD 3.57Å; I416-M420 VanDerWaalsContact CG2-SD 3.57Å; I416-M420 WeakPolarHBondContact O-CB 3.28Å; I416-M420 VanDerWaalsContact O-CG 3.24Å; I416-M420 WeakPolarHBondContact O-CG 3.45Å; I416-M420 PolarHBondContact O-N 3.26Å
417	A	93.8	Very high	93	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-63.6	-47.3	179	0	0	0	0	0	113.1	M243 V333 F356 T358 L413 L414 H415 R419 M420 C421	M243-A417 HydrophobicContact CE-CB 3.84Å; V333-A417 HydrophobicContact CG1-CB 3.59Å; V333-A417 HydrophobicContact CG2-CB 4.25Å; F356-A417 HydrophobicContact CD1-CB 3.87Å; F356-A417 HydrophobicContact CE1-CB 3.85Å; T358-A417 HydrophobicContact CG2-CB 4.09Å; L413-A417 VanDerWaalsContact O-CB 3.32Å; L413-A417 WeakPolarHBondContact O-CB 3.25Å; L413-A417 PolarHBondContact O-N 2.89Å; L414-A417 PolarHBondContact O-N 3.13Å; H415-A417 VanDerWaalsContact C-N 3.3Å; H415-A417 PolarHBondContact O-N 3.04Å; A417-R419 VanDerWaalsContact C-N 3.31Å; A417-R419 PolarHBondContact O-N 3.31Å; A417-M420 PolarHBondContact O-N 2.74Å; A417-C421 WeakPolarHBondContact O-CB 3.22Å; A417-C421 PolarHBondContact O-N 3.31Å; A417-C421 PolarHBondContact O-SG 3.27Å
418	S	92.6	Very high	92.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-55.1	-46.2	175.5	169.9	0	0	0	0	111.7	E246 L414 H415 M420 C421 R422	E246-S418 PolarHBondContact O-OG 2.76Å; L414-S418 PolarHBondContact O-N 2.7Å; H415-S418 PolarHBondContact O-N 3.42Å; S418-M420 PolarHBondContact O-N 3.46Å; S418-C421 PolarHBondContact O-N 3.19Å; S418-R422 PolarHBondContact O-N 3.22Å
419	R	92.7	Very high	92.8	Very high	87 Å²	87	38 Å²	38	33%	0.328	18%	0.176	S	C	.	.	H	α-helix	trans	-65.9	-37.9	178.2	-68.8	-68.7	172	95.4	-18.3	113.4	D247 F379 H415 I416 A417 E423	D247-R419 VanDerWaalsContact CG-NH2 3.26Å; D247-R419 IonicContact OD1-CZ 2.76Å; D247-R419 IonicContact OD1-NE 3.45Å; D247-R419 PolarHBondContact OD1-NE 2.94Å; D247-R419 IonicContact OD1-NH2 3.1Å; D247-R419 PolarHBondContact OD1-NH2 2.95Å; D247-R419 IonicContact OD2-CZ 3.19Å; D247-R419 IonicContact OD2-NE 2.74Å; D247-R419 IonicContact OD2-NH2 2.7Å; D247-R419 PolarHBondContact OD2-NH2 2.86Å; F379-R419 HydrophobicContact CD1-CB 3.97Å; F379-R419 HydrophobicContact CD1-CG 4.43Å; F379-R419 HydrophobicContact CE1-CB 3.81Å; F379-R419 HydrophobicContact CZ-CB 4.37Å; H415-R419 WeakPolarHBondContact O-CG 3.5Å; H415-R419 PolarHBondContact O-N 3.4Å; H415-R419 VanDerWaalsContact O-N 3.13Å; I416-R419 PolarHBondContact O-N 3.04Å; A417-R419 VanDerWaalsContact C-N 3.31Å; A417-R419 PolarHBondContact O-N 3.31Å; R419-E423 PolarHBondContact O-N 3.36Å; R419-E423 VanDerWaalsContact O-N 3.15Å
420	M	93.7	Very high	92.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-76.1	-33.6	177.4	-68	179.6	79.9	0	0	113	T358 A361 A362 L365 Y367 L375 F379 I416 A417 S418 R422 E423 L424	T358-M420 HydrophobicContact CG2-SD 4.48Å; T358-M420 WeakPolarHBondContact O-CE 3.37Å; A361-M420 HydrophobicContact CB-CB 4.36Å; A361-M420 HydrophobicContact CB-CE 3.63Å; A362-M420 HydrophobicContact CB-CE 3.83Å; L365-M420 HydrophobicContact CD1-CB 4.26Å; L365-M420 HydrophobicContact CD1-CE 4.1Å; L365-M420 HydrophobicContact CD1-CG 4.37Å; Y367-M420 HydrophobicContact CD2-CE 4.34Å; Y367-M420 HydrophobicContact CE2-CE 3.74Å; Y367-M420 HydrophobicContact CE2-SD 4.5Å; L375-M420 HydrophobicContact CD1-CE 4.38Å; L375-M420 HydrophobicContact CD1-SD 3.91Å; L375-M420 HydrophobicContact CD2-CE 4.14Å; L375-M420 HydrophobicContact CD2-SD 4.08Å; F379-M420 HydrophobicContact CE2-CG 3.61Å; F379-M420 HydrophobicContact CE2-SD 3.86Å; F379-M420 HydrophobicContact CZ-CG 3.62Å; F379-M420 HydrophobicContact CZ-SD 4.44Å; I416-M420 HydrophobicContact CG2-CG 4.36Å; I416-M420 HydrophobicContact CG2-SD 3.57Å; I416-M420 VanDerWaalsContact CG2-SD 3.57Å; I416-M420 WeakPolarHBondContact O-CB 3.28Å; I416-M420 VanDerWaalsContact O-CG 3.24Å; I416-M420 WeakPolarHBondContact O-CG 3.45Å; I416-M420 PolarHBondContact O-N 3.26Å; A417-M420 PolarHBondContact O-N 2.74Å; S418-M420 PolarHBondContact O-N 3.46Å; M420-R422 VanDerWaalsContact C-N 3.28Å; M420-R422 PolarHBondContact O-N 3.16Å; M420-E423 PolarHBondContact O-N 3.2Å; M420-L424 WeakPolarHBondContact O-CB 3.28Å; M420-L424 VanDerWaalsContact O-CG 3.26Å; M420-L424 WeakPolarHBondContact O-CG 3.37Å; M420-L424 PolarHBondContact O-N 2.79Å
421	C	91.9	Very high	92.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-41.1	170.5	-77.6	0	0	0	0	111.2	M244 F356 A417 S418 L424 Q425	M244-C421 HydrophobicContact CE-CB 4.24Å; M244-C421 VanDerWaalsContact CE-O 3.29Å; M244-C421 WeakPolarHBondContact CE-O 3.48Å; F356-C421 WeakPolarHBondContact CE2-SG 3.25Å; F356-C421 WeakPolarHBondContact CZ-SG 3.21Å; A417-C421 WeakPolarHBondContact O-CB 3.22Å; A417-C421 PolarHBondContact O-N 3.31Å; A417-C421 PolarHBondContact O-SG 3.27Å; S418-C421 PolarHBondContact O-N 3.19Å; C421-L424 PolarHBondContact O-N 2.93Å; C421-Q425 PolarHBondContact O-N 3.07Å
422	R	90	Very high	92.4	Very high	70 Å²	70	42 Å²	42	26%	0.264	21%	0.205	S	C	.	.	H	α-helix	trans	-66.1	-51.7	175.4	-161	174.4	-59.8	137.1	11.7	112.1	M244 D247 S418 M420 L424 Q425 D426	M244-R422 PolarHBondContact O-NH2 3.02Å; D247-R422 IonicContact OD1-CZ 3.27Å; D247-R422 VanDerWaalsContact OD1-CZ 3.27Å; D247-R422 IonicContact OD1-NH1 2.75Å; D247-R422 PolarHBondContact OD1-NH1 3.28Å; D247-R422 IonicContact OD1-NH2 2.88Å; D247-R422 PolarHBondContact OD1-NH2 3.24Å; D247-R422 IonicContact OD2-NH1 3.38Å; D247-R422 PolarHBondContact OD2-NH1 3.12Å; S418-R422 PolarHBondContact O-N 3.22Å; M420-R422 VanDerWaalsContact C-N 3.28Å; M420-R422 PolarHBondContact O-N 3.16Å; R422-L424 PolarHBondContact O-N 3.11Å; R422-L424 VanDerWaalsContact O-N 3.12Å; R422-Q425 WeakPolarHBondContact O-CA 3.22Å; R422-Q425 WeakPolarHBondContact O-CB 3.05Å; R422-Q425 PolarHBondContact O-N 2.93Å; R422-D426 VanDerWaalsContact O-CG 3.27Å; R422-D426 PolarHBondContact O-N 3.41Å
423	E	92.8	Very high	92.3	Very high	41 Å²	41	41.4 Å²	41.4	19%	0.192	20%	0.203	C	C	.	.	H	α-helix	trans	-59.6	-24.4	175.4	-81.7	-167.1	-137.1	0	0	113.8	L365 Y367 R378 R419 M420 R427	L365-E423 HydrophobicContact CD1-CB 3.76Å; L365-E423 HydrophobicContact CD2-CB 3.95Å; L365-E423 VanDerWaalsContact CD2-O 3.26Å; L365-E423 WeakPolarHBondContact CD2-O 3.26Å; Y367-E423 WeakPolarHBondContact CE1-OE2 3.21Å; Y367-E423 PolarHBondContact OH-OE1 3.33Å; Y367-E423 PolarHBondContact OH-OE2 2.89Å; R378-E423 IonicContact CZ-OE1 3.97Å; R378-E423 IonicContact NE-OE1 3.48Å; R378-E423 VanDerWaalsContact NH2-CD 3.29Å; R378-E423 IonicContact NH2-OE1 2.93Å; R378-E423 PolarHBondContact NH2-OE1 3.48Å; R378-E423 IonicContact NH2-OE2 2.69Å; R378-E423 PolarHBondContact NH2-OE2 3.2Å; R419-E423 PolarHBondContact O-N 3.36Å; R419-E423 VanDerWaalsContact O-N 3.15Å; M420-E423 PolarHBondContact O-N 3.2Å; E423-R427 WeakPolarHBondContact O-CG 3.49Å; E423-R427 PolarHBondContact O-NE 2.94Å; E423-R427 IonicContact OE2-NH2 3.21Å; E423-R427 PolarHBondContact OE2-NH2 3.19Å
424	L	92.7	Very high	92.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-80.4	-33.3	172.2	-76.2	169.1	0	0	0	112.7	F356 A361 L364 L365 M420 C421 R422 R427 D428 L429 L430 A433	F356-L424 HydrophobicContact CE2-CD1 3.91Å; F356-L424 HydrophobicContact CZ-CD1 3.95Å; A361-L424 HydrophobicContact CB-CD1 3.78Å; L364-L424 HydrophobicContact CB-CD2 3.93Å; L364-L424 HydrophobicContact CD1-CD2 4.35Å; L365-L424 HydrophobicContact CD1-CD2 4.48Å; L365-L424 HydrophobicContact CD1-CG 4.19Å; L365-L424 HydrophobicContact CD2-CD2 3.65Å; L365-L424 HydrophobicContact CD2-CG 3.89Å; L365-L424 HydrophobicContact CG-CD2 3.8Å; L365-L424 HydrophobicContact CG-CG 4.03Å; M420-L424 WeakPolarHBondContact O-CB 3.28Å; M420-L424 VanDerWaalsContact O-CG 3.26Å; M420-L424 WeakPolarHBondContact O-CG 3.37Å; M420-L424 PolarHBondContact O-N 2.79Å; C421-L424 PolarHBondContact O-N 2.93Å; R422-L424 PolarHBondContact O-N 3.11Å; R422-L424 VanDerWaalsContact O-N 3.12Å; L424-R427 PolarHBondContact O-N 3.48Å; L424-D428 PolarHBondContact O-N 2.74Å; L424-L429 HydrophobicContact CD2-CB 3.59Å; L424-L429 PolarHBondContact O-N 2.72Å; L424-L430 HydrophobicContact CB-CB 3.97Å; L424-L430 HydrophobicContact CB-CD1 4.19Å; L424-L430 HydrophobicContact CD1-CD1 3.88Å; L424-A433 HydrophobicContact CD1-CB 3.72Å
425	Q	90	Very high	92.2	Very high	85 Å²	85	44.3 Å²	44.3	40%	0.397	22%	0.217	S	C	.	.	H	α-helix	trans	-66.2	-45.8	175.2	-151.6	176.9	13.8	0	0	111.1	M244 C421 R422 R427 D428	M244-Q425 HydrophobicContact CE-CB 3.5Å; M244-Q425 HydrophobicContact CE-CG 3.61Å; M244-Q425 HydrophobicContact SD-CG 4.43Å; C421-Q425 PolarHBondContact O-N 3.07Å; R422-Q425 WeakPolarHBondContact O-CA 3.22Å; R422-Q425 WeakPolarHBondContact O-CB 3.05Å; R422-Q425 PolarHBondContact O-N 2.93Å; Q425-R427 PolarHBondContact O-N 3.24Å; Q425-D428 PolarHBondContact O-N 3.28Å
426	D	90.8	Very high	92.2	Very high	124 Å²	124	50 Å²	50	66%	0.663	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-2.8	178.7	-59.8	-29.2	0	0	0	113.6	R422	R422-D426 VanDerWaalsContact O-CG 3.27Å; R422-D426 PolarHBondContact O-N 3.41Å
427	R	92.6	Very high	92.3	Very high	114 Å²	114	50 Å²	50	43%	0.43	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.1	6	-178.2	-53.8	-176.8	-159.2	-176.3	10.7	113.9	L365 E423 L424 Q425 L429	L365-R427 PolarHBondContact O-NH1 2.85Å; E423-R427 WeakPolarHBondContact O-CG 3.49Å; E423-R427 PolarHBondContact O-NE 2.94Å; E423-R427 IonicContact OE2-NH2 3.21Å; E423-R427 PolarHBondContact OE2-NH2 3.19Å; L424-R427 PolarHBondContact O-N 3.48Å; Q425-R427 PolarHBondContact O-N 3.24Å; R427-L429 HydrophobicContact CB-CD1 4.05Å; R427-L429 HydrophobicContact CB-CG 3.98Å; R427-L429 PolarHBondContact O-N 2.79Å
428	D	90.4	Very high	92.3	Very high	145 Å²	145	51.4 Å²	51.4	78%	0.775	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	24.5	-173.2	-61.5	-54.5	0	0	0	115.1	L424 Q425	L424-D428 PolarHBondContact O-N 2.74Å; Q425-D428 PolarHBondContact O-N 3.28Å
429	L	92.4	Very high	92.4	Very high	48 Å²	48	55.9 Å²	55.9	25%	0.251	26%	0.264	S	S	.	.			trans	-95.7	-5.1	-176	-68.3	179.9	0	0	0	114.3	L424 R427 V432 A433	L424-L429 HydrophobicContact CD2-CB 3.59Å; L424-L429 PolarHBondContact O-N 2.72Å; R427-L429 HydrophobicContact CB-CD1 4.05Å; R427-L429 HydrophobicContact CB-CG 3.98Å; R427-L429 PolarHBondContact O-N 2.79Å; L429-V432 WeakPolarHBondContact O-CB 3.46Å; L429-V432 PolarHBondContact O-N 3.28Å; L429-A433 PolarHBondContact O-N 3.27Å
430	L	90.6	Very high	92.5	Very high	16 Å²	16	52.2 Å²	52.2	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-67.7	-39.1	-172	-175.8	54.7	0	0	0	113.4	L240 M244 F356 L424 V432 A433 I434	L240-L430 HydrophobicContact CB-CD2 3.9Å; L240-L430 HydrophobicContact CB-CG 4.47Å; M244-L430 HydrophobicContact CE-CD2 3.19Å; M244-L430 HydrophobicContact SD-CD2 3.71Å; F356-L430 HydrophobicContact CD2-CD1 4.48Å; F356-L430 HydrophobicContact CE2-CD1 3.85Å; L424-L430 HydrophobicContact CB-CB 3.97Å; L424-L430 HydrophobicContact CB-CD1 4.19Å; L424-L430 HydrophobicContact CD1-CD1 3.88Å; L430-V432 VanDerWaalsContact C-N 3.29Å; L430-V432 PolarHBondContact O-N 3.08Å; L430-A433 WeakPolarHBondContact O-CB 3.26Å; L430-A433 PolarHBondContact O-N 3.09Å; L430-A433 VanDerWaalsContact O-N 3.12Å; L430-I434 HydrophobicContact CD1-CD1 4.41Å; L430-I434 HydrophobicContact CD1-CG1 4.44Å; L430-I434 HydrophobicContact CG-CD1 4.15Å; L430-I434 WeakPolarHBondContact O-CG1 3.41Å; L430-I434 PolarHBondContact O-N 3.04Å
431	S	90.3	Very high	92.7	Very high	61 Å²	61	52.4 Å²	52.4	43%	0.427	25%	0.252	S	S	.	.	H	α-helix	trans	-59.3	-40.9	173.4	51.5	0	0	0	0	111.8	A433 I434 E435	S431-A433 VanDerWaalsContact C-N 3.32Å; S431-A433 PolarHBondContact O-N 3.27Å; S431-I434 PolarHBondContact O-N 2.88Å; S431-E435 WeakPolarHBondContact O-CB 3.31Å; S431-E435 PolarHBondContact O-N 3.47Å
432	V	92.5	Very high	92.8	Very high	54 Å²	54	54.1 Å²	54.1	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-66.1	-33.1	176.1	-172	0	0	0	0	111.8	L364 L429 L430 R436	L364-V432 HydrophobicContact CD1-CB 4.45Å; L364-V432 HydrophobicContact CD1-CG1 4.38Å; L364-V432 HydrophobicContact CD2-CG1 3.96Å; L429-V432 WeakPolarHBondContact O-CB 3.46Å; L429-V432 PolarHBondContact O-N 3.28Å; L430-V432 VanDerWaalsContact C-N 3.29Å; L430-V432 PolarHBondContact O-N 3.08Å; V432-R436 WeakPolarHBondContact O-CB 3.43Å; V432-R436 VanDerWaalsContact O-CG 3.23Å; V432-R436 WeakPolarHBondContact O-CG 3.18Å; V432-R436 PolarHBondContact O-N 3.25Å; V432-R436 VanDerWaalsContact O-N 3.1Å
433	A	93.1	Very high	93	Very high	3 Å²	3	56.4 Å²	56.4	3%	0.025	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-46.4	174.9	0	0	0	0	0	111.9	F356 L364 L424 L429 L430 S431 R436 A437	F356-A433 HydrophobicContact CE2-CB 4.41Å; L364-A433 VanDerWaalsContact CD1-CA 3.45Å; L364-A433 HydrophobicContact CD1-CB 3.57Å; L424-A433 HydrophobicContact CD1-CB 3.72Å; L429-A433 PolarHBondContact O-N 3.27Å; L430-A433 WeakPolarHBondContact O-CB 3.26Å; L430-A433 PolarHBondContact O-N 3.09Å; L430-A433 VanDerWaalsContact O-N 3.12Å; S431-A433 VanDerWaalsContact C-N 3.32Å; S431-A433 PolarHBondContact O-N 3.27Å; A433-R436 PolarHBondContact O-N 3.13Å; A433-A437 WeakPolarHBondContact O-CB 3.3Å; A433-A437 PolarHBondContact O-N 3.18Å
434	I	92.2	Very high	93.1	Very high	6 Å²	6	57 Å²	57	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-66.3	-44.1	179	-57.3	159.2	0	0	0	110.4	F233 L237 L240 L430 S431 R436 A437 R438	F233-I434 HydrophobicContact CE1-CG2 3.85Å; F233-I434 HydrophobicContact CZ-CG2 4.44Å; L237-I434 HydrophobicContact CD1-CB 4.26Å; L237-I434 HydrophobicContact CD1-CG2 3.66Å; L237-I434 HydrophobicContact CD2-CD1 4.27Å; L237-I434 HydrophobicContact CG-CG2 4.38Å; L240-I434 HydrophobicContact CB-CD1 4.09Å; L240-I434 HydrophobicContact CD1-CD1 4.08Å; L240-I434 HydrophobicContact CG-CD1 3.85Å; L430-I434 HydrophobicContact CD1-CD1 4.41Å; L430-I434 HydrophobicContact CD1-CG1 4.44Å; L430-I434 HydrophobicContact CG-CD1 4.15Å; L430-I434 WeakPolarHBondContact O-CG1 3.41Å; L430-I434 PolarHBondContact O-N 3.04Å; S431-I434 PolarHBondContact O-N 2.88Å; I434-R436 PolarHBondContact O-N 2.63Å; I434-A437 PolarHBondContact O-N 2.78Å; I434-R438 WeakPolarHBondContact O-CB 3.41Å; I434-R438 PolarHBondContact O-N 2.87Å
435	E	93.1	Very high	93.1	Very high	62 Å²	62	58.3 Å²	58.3	29%	0.29	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-45.2	177.4	177.2	54.9	-154.6	0	0	111.6	S431 A437 R438 Q439	S431-E435 WeakPolarHBondContact O-CB 3.31Å; S431-E435 PolarHBondContact O-N 3.47Å; E435-A437 VanDerWaalsContact C-N 3.32Å; E435-A437 PolarHBondContact O-N 2.87Å; E435-R438 WeakPolarHBondContact O-CB 3.44Å; E435-R438 PolarHBondContact O-N 3.29Å; E435-R438 IonicContact OE1-CZ 3.51Å; E435-R438 IonicContact OE1-NE 2.81Å; E435-R438 IonicContact OE1-NH2 3.35Å; E435-R438 PolarHBondContact OE1-NH2 3.46Å; E435-R438 IonicContact OE2-CZ 2.81Å; E435-R438 IonicContact OE2-NE 3.66Å; E435-R438 PolarHBondContact OE2-NE 3.14Å; E435-R438 IonicContact OE2-NH2 3.65Å; E435-R438 PolarHBondContact OE2-NH2 3.24Å; E435-Q439 WeakPolarHBondContact O-CG 3.46Å; E435-Q439 PolarHBondContact O-N 2.88Å; E435-Q439 PolarHBondContact OE1-NE2 3.24Å
436	R	94.5	Very high	93.2	Very high	134 Å²	134	59.5 Å²	59.5	51%	0.506	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-36.6	176.2	-73.3	174.9	174.6	-159.2	-5.2	112.5	I360 V432 A433 I434 Q439 L440	I360-R436 HydrophobicContact CD1-CB 4Å; I360-R436 HydrophobicContact CG2-CB 3.83Å; V432-R436 WeakPolarHBondContact O-CB 3.43Å; V432-R436 VanDerWaalsContact O-CG 3.23Å; V432-R436 WeakPolarHBondContact O-CG 3.18Å; V432-R436 PolarHBondContact O-N 3.25Å; V432-R436 VanDerWaalsContact O-N 3.1Å; A433-R436 PolarHBondContact O-N 3.13Å; I434-R436 PolarHBondContact O-N 2.63Å; R436-Q439 PolarHBondContact O-N 3.11Å; R436-L440 PolarHBondContact O-N 2.98Å
437	A	95	Very high	93.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.6	-41.4	173.4	0	0	0	0	0	111.9	L355 I360 A433 I434 E435 Q439 L440 C441	L355-A437 HydrophobicContact CB-CB 4.19Å; L355-A437 HydrophobicContact CD2-CB 4.06Å; L355-A437 HydrophobicContact CG-CB 3.97Å; L355-A437 VanDerWaalsContact O-CB 3.3Å; L355-A437 WeakPolarHBondContact O-CB 3.49Å; I360-A437 HydrophobicContact CD1-CB 4.19Å; A433-A437 WeakPolarHBondContact O-CB 3.3Å; A433-A437 PolarHBondContact O-N 3.18Å; I434-A437 PolarHBondContact O-N 2.78Å; E435-A437 VanDerWaalsContact C-N 3.32Å; E435-A437 PolarHBondContact O-N 2.87Å; A437-Q439 VanDerWaalsContact C-N 3.29Å; A437-Q439 PolarHBondContact O-N 3.34Å; A437-L440 WeakPolarHBondContact O-CB 3.43Å; A437-L440 PolarHBondContact O-N 3.39Å; A437-C441 PolarHBondContact O-N 3.25Å
438	R	94.7	Very high	93.2	Very high	30 Å²	30	51.8 Å²	51.8	11%	0.113	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-37.7	174.3	-164.9	-174.1	77.2	77	6.8	112.2	L230 F233 G234 I434 E435 C441 L442	L230-R438 HydrophobicContact CD2-CG 4.22Å; L230-R438 VanDerWaalsContact O-CD 3.24Å; L230-R438 WeakPolarHBondContact O-CD 3.26Å; L230-R438 PolarHBondContact O-NH1 3.14Å; F233-R438 HydrophobicContact CD1-CG 4.46Å; G234-R438 VanDerWaalsContact CA-CD 3.47Å; I434-R438 WeakPolarHBondContact O-CB 3.41Å; I434-R438 PolarHBondContact O-N 2.87Å; E435-R438 WeakPolarHBondContact O-CB 3.44Å; E435-R438 PolarHBondContact O-N 3.29Å; E435-R438 IonicContact OE1-CZ 3.51Å; E435-R438 IonicContact OE1-NE 2.81Å; E435-R438 IonicContact OE1-NH2 3.35Å; E435-R438 PolarHBondContact OE1-NH2 3.46Å; E435-R438 IonicContact OE2-CZ 2.81Å; E435-R438 IonicContact OE2-NE 3.66Å; E435-R438 PolarHBondContact OE2-NE 3.14Å; E435-R438 IonicContact OE2-NH2 3.65Å; E435-R438 PolarHBondContact OE2-NH2 3.24Å; R438-C441 WeakPolarHBondContact O-CB 3.17Å; R438-C441 PolarHBondContact O-N 2.88Å; R438-L442 WeakPolarHBondContact O-CG 3.28Å; R438-L442 PolarHBondContact O-N 3.25Å; R438-L442 VanDerWaalsContact O-N 3.08Å
439	Q	95	Very high	93.1	Very high	93 Å²	93	51.4 Å²	51.4	44%	0.435	27%	0.268	S	S	.	.	H	α-helix	trans	-68.7	-29	173.5	-65.3	-67.8	-12.9	0	0	113.1	E435 R436 A437	E435-Q439 WeakPolarHBondContact O-CG 3.46Å; E435-Q439 PolarHBondContact O-N 2.88Å; E435-Q439 PolarHBondContact OE1-NE2 3.24Å; R436-Q439 PolarHBondContact O-N 3.11Å; A437-Q439 VanDerWaalsContact C-N 3.29Å; A437-Q439 PolarHBondContact O-N 3.34Å
440	L	94.8	Very high	92.9	Very high	11 Å²	11	51 Å²	51	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-68.1	-45.3	167.6	-62	-167.5	0	0	0	111.2	D338 L341 I360 R436 A437 L442 R443	D338-L440 WeakPolarHBondContact OD1-CD2 3.3Å; L341-L440 HydrophobicContact CD1-CB 3.73Å; I360-L440 HydrophobicContact CD1-CD1 3.78Å; I360-L440 HydrophobicContact CD1-CG 4.13Å; R436-L440 PolarHBondContact O-N 2.98Å; A437-L440 WeakPolarHBondContact O-CB 3.43Å; A437-L440 PolarHBondContact O-N 3.39Å; L440-L442 PolarHBondContact O-N 3.31Å; L440-R443 VanDerWaalsContact CD2-CZ 3.43Å; L440-R443 WeakPolarHBondContact O-CB 3.48Å; L440-R443 PolarHBondContact O-N 3.44Å; L440-R443 VanDerWaalsContact O-N 3.13Å
441	C	96.2	Very high	92.8	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.02	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-26.6	177.2	-70.2	0	0	0	0	114	H224 L230 V352 L355 A437 R438 R443	H224-C441 PolarHBondContact CE1-O 2.86Å; H224-C441 VanDerWaalsContact CE1-O 3.31Å; H224-C441 PolarHBondContact NE2-O 3.36Å; H224-C441 VanDerWaalsContact NE2-O 3.12Å; L230-C441 HydrophobicContact CD1-CB 3.76Å; L230-C441 WeakPolarHBondContact CD1-O 3.5Å; L230-C441 HydrophobicContact CD2-CB 3.63Å; L230-C441 HydrophobicContact CG-CB 4.38Å; V352-C441 WeakPolarHBondContact O-CB 3.31Å; V352-C441 PolarHBondContact O-SG 3.14Å; V352-C441 VanDerWaalsContact O-SG 3.35Å; L355-C441 VanDerWaalsContact CB-SG 3.52Å; L355-C441 WeakPolarHBondContact CD2-SG 3.2Å; A437-C441 PolarHBondContact O-N 3.25Å; R438-C441 WeakPolarHBondContact O-CB 3.17Å; R438-C441 PolarHBondContact O-N 2.88Å; C441-R443 VanDerWaalsContact C-N 3.33Å
442	L	95.2	Very high	92.6	Very high	37 Å²	37	58.3 Å²	58.3	19%	0.194	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-11.7	178.5	-79.8	169.7	0	0	0	114.2	K227 L230 R438 L440	K227-L442 HydrophobicContact CG-CD2 4.28Å; L230-L442 HydrophobicContact CB-CD2 3.74Å; L230-L442 HydrophobicContact CB-CG 4.13Å; L230-L442 HydrophobicContact CD1-CD2 3.82Å; L230-L442 HydrophobicContact CD1-CG 4.03Å; L230-L442 HydrophobicContact CG-CD2 4.44Å; R438-L442 WeakPolarHBondContact O-CG 3.28Å; R438-L442 PolarHBondContact O-N 3.25Å; R438-L442 VanDerWaalsContact O-N 3.08Å; L440-L442 PolarHBondContact O-N 3.31Å
443	R	94.7	Very high	92.2	Very high	118 Å²	118	60.5 Å²	60.5	45%	0.445	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-68.2	143.9	178.5	-66.9	-179.1	178.1	161.9	3.3	111	D338 M342 Q345 L440 C441	D338-R443 IonicContact OD1-CZ 3.59Å; D338-R443 IonicContact OD1-NH1 3.39Å; D338-R443 PolarHBondContact OD1-NH1 3.25Å; D338-R443 IonicContact OD1-NH2 2.7Å; M342-R443 HydrophobicContact CE-CB 3.65Å; M342-R443 WeakPolarHBondContact CE-O 3.07Å; M342-R443 HydrophobicContact SD-CB 4.28Å; Q345-R443 PolarHBondContact NE2-O 3.3Å; L440-R443 VanDerWaalsContact CD2-CZ 3.43Å; L440-R443 WeakPolarHBondContact O-CB 3.48Å; L440-R443 PolarHBondContact O-N 3.44Å; L440-R443 VanDerWaalsContact O-N 3.13Å; C441-R443 VanDerWaalsContact C-N 3.33Å
444	C	93.2	Very high	91.8	Very high	52 Å²	52	60.7 Å²	60.7	35%	0.351	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-101.8	138.8	169.8	-73.4	0	0	0	0	110.8	H224 T446	H224-C444 VanDerWaalsContact CB-SG 3.59Å; C444-T446 PolarHBondContact O-N 3.3Å
445	Y	94	Very high	91.4	Very high	28 Å²	28	61.4 Å²	61.4	11%	0.11	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-66.7	126.1	168.6	174.4	-107	0	0	0	111.4	F194 M342 R346 K447	F194-Y445 HydrophobicContact CB-CD1 4.23Å; F194-Y445 AromaticContact CD1-CD1 3.85Å; F194-Y445 HydrophobicContact CD1-CD1 3.85Å; F194-Y445 VanDerWaalsContact CD1-O 3.26Å; F194-Y445 WeakPolarHBondContact CD1-O 3.38Å; F194-Y445 AromaticContact CD2-CD1 3.66Å; F194-Y445 HydrophobicContact CD2-CD1 3.66Å; F194-Y445 AromaticContact CD2-CE1 3.87Å; F194-Y445 HydrophobicContact CD2-CE1 3.87Å; F194-Y445 HydrophobicContact CE1-CD1 4.09Å; F194-Y445 AromaticContact CE2-CD1 3.91Å; F194-Y445 HydrophobicContact CE2-CD1 3.91Å; F194-Y445 HydrophobicContact CE2-CE1 4.29Å; F194-Y445 AromaticContact CG-CD1 3.62Å; F194-Y445 HydrophobicContact CG-CD1 3.62Å; F194-Y445 HydrophobicContact CG-CE1 4.14Å; F194-Y445 HydrophobicContact CZ-CD1 4.13Å; M342-Y445 HydrophobicContact CB-CD2 4.09Å; R346-Y445 HydrophobicContact CB-CD1 3.72Å; R346-Y445 HydrophobicContact CB-CD2 4.35Å; R346-Y445 HydrophobicContact CB-CE1 3.79Å; R346-Y445 HydrophobicContact CB-CE2 4.4Å; R346-Y445 HydrophobicContact CB-CG 4.01Å; R346-Y445 HydrophobicContact CG-CD1 4.05Å; R346-Y445 HydrophobicContact CG-CE1 3.58Å; Y445-K447 HydrophobicContact CE1-CG 4.36Å
446	T	92.2	Very high	91.1	Very high	110 Å²	110	61 Å²	61	68%	0.675	30%	0.301	S	S	*	.			trans	-113.5	136.2	172.5	55.5	0	0	0	0	110.6	C444	C444-T446 PolarHBondContact O-N 3.3Å
447	K	92.2	Very high	90.6	Very high	20 Å²	20	57.9 Å²	57.9	9%	0.087	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63.1	146.2	171.9	-78.4	161.8	172.1	172.1	0	110.9	D188 S192 S193 F194 L292 Y445 V449	D188-K447 WeakPolarHBondContact OD2-CE 3.26Å; D188-K447 IonicContact OD2-NZ 3.94Å; D188-K447 PolarHBondContact OD2-NZ 2.59Å; S192-K447 WeakPolarHBondContact O-CD 3.42Å; S192-K447 PolarHBondContact O-NZ 3.24Å; S192-K447 PolarHBondContact OG-NZ 3.3Å; S193-K447 PolarHBondContact O-NZ 3.11Å; F194-K447 HydrophobicContact CB-CD 4.46Å; F194-K447 HydrophobicContact CB-CG 4.28Å; L292-K447 HydrophobicContact CD1-CG 4.38Å; Y445-K447 HydrophobicContact CE1-CG 4.36Å; K447-V449 PolarHBondContact O-N 3.3Å
448	P	90.8	Very high	90	Very high	57 Å²	57	58 Å²	58	37%	0.37	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-67.2	118.1	174.3	28.1	-33.3	0	0	0	111.1	F291 L292 R487	F291-P448 HydrophobicContact CE1-CG 4.17Å; F291-P448 HydrophobicContact CZ-CG 4.39Å; L292-P448 VanDerWaalsContact CD2-CD 3.41Å; L292-P448 HydrophobicContact CD2-CG 3.74Å; P448-R487 PolarHBondContact O-NH2 3.19Å
449	V	88.1	Confident	89.4	Confident	137 Å²	137	60 Å²	60	83%	0.83	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-77.8	135.5	177.1	-178.7	0	0	0	0	110.1	K447 N451	K447-V449 PolarHBondContact O-N 3.3Å; V449-N451 PolarHBondContact O-N 3.02Å
450	F	89.2	Confident	88.8	Confident	39 Å²	39	62.8 Å²	62.8	17%	0.171	31%	0.31	C	S	.	.			trans	-76.3	102.9	177.4	174.9	-110.7	0	0	0	111.5	Y191 R452 Y479 A480 D483	Y191-F450 HydrophobicContact CD1-CB 4.25Å; Y191-F450 HydrophobicContact CE1-CB 3.75Å; Y191-F450 HydrophobicContact CE1-CG 4.4Å; F450-R452 HydrophobicContact CD1-CG 4.15Å; F450-R452 HydrophobicContact CE1-CB 4.45Å; F450-R452 HydrophobicContact CE1-CG 3.69Å; F450-R452 PolarHBondContact O-N 3.31Å; F450-Y479 HydrophobicContact CD2-CE1 4.29Å; F450-Y479 AromaticContact CE2-CD1 3.62Å; F450-Y479 HydrophobicContact CE2-CD1 3.62Å; F450-Y479 AromaticContact CE2-CE1 3.41Å; F450-Y479 HydrophobicContact CE2-CE1 3.41Å; F450-Y479 VanDerWaalsContact CE2-CE1 3.41Å; F450-Y479 AromaticContact CZ-CD1 3.86Å; F450-Y479 HydrophobicContact CZ-CD1 3.86Å; F450-Y479 AromaticContact CZ-CE1 3.96Å; F450-Y479 HydrophobicContact CZ-CE1 3.96Å; F450-A480 HydrophobicContact CE1-CB 4.23Å; F450-A480 HydrophobicContact CZ-CB 3.78Å; F450-D483 HydrophobicContact CD2-CB 3.56Å; F450-D483 VanDerWaalsContact CD2-CG 3.41Å; F450-D483 WeakPolarHBondContact CD2-OD2 3.39Å; F450-D483 HydrophobicContact CE2-CB 3.68Å; F450-D483 HydrophobicContact CG-CB 4.39Å
451	N	88.1	Confident	88	Confident	90 Å²	90	68.1 Å²	68.1	48%	0.481	34%	0.335	S	S	.	.			trans	-76.1	105.9	172.1	-179.6	-0.5	0	0	0	110.5	V449 L453 G454 Y479	V449-N451 PolarHBondContact O-N 3.02Å; N451-L453 PolarHBondContact O-N 3.2Å; N451-L453 VanDerWaalsContact O-N 3.13Å; N451-L453 WeakPolarHBondContact OD1-CB 3.48Å; N451-L453 PolarHBondContact OD1-N 3.38Å; N451-G454 PolarHBondContact O-N 2.81Å; N451-Y479 WeakPolarHBondContact O-CE1 3.19Å
452	R	84.9	Confident	86.7	Confident	141 Å²	141	69.7 Å²	69.7	53%	0.532	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-52.7	-32.7	175.4	-77.7	-174.7	-179.4	-162	1.7	113.3	F450 G454 Y455	F450-R452 HydrophobicContact CD1-CG 4.15Å; F450-R452 HydrophobicContact CE1-CB 4.45Å; F450-R452 HydrophobicContact CE1-CG 3.69Å; F450-R452 PolarHBondContact O-N 3.31Å; R452-G454 VanDerWaalsContact C-N 3.34Å; R452-Y455 WeakPolarHBondContact O-CD1 3.4Å; R452-Y455 VanDerWaalsContact O-CE1 3.25Å; R452-Y455 WeakPolarHBondContact O-CE1 3.48Å
453	L	85.8	Confident	85	Confident	100 Å²	100	71.4 Å²	71.4	52%	0.524	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-85	-1.4	179.6	-61.7	176.9	0	0	0	113.8	N451 Y455 L456	N451-L453 PolarHBondContact O-N 3.2Å; N451-L453 VanDerWaalsContact O-N 3.13Å; N451-L453 WeakPolarHBondContact OD1-CB 3.48Å; N451-L453 PolarHBondContact OD1-N 3.38Å; L453-Y455 PolarHBondContact O-N 3.06Å; L453-Y455 VanDerWaalsContact O-N 3.1Å; L453-L456 HydrophobicContact CB-CD1 4.3Å; L453-L456 HydrophobicContact CD2-CD1 4.29Å; L453-L456 VanDerWaalsContact O-CB 3.27Å; L453-L456 WeakPolarHBondContact O-CB 3.31Å; L453-L456 WeakPolarHBondContact O-CG 3.41Å; L453-L456 PolarHBondContact O-N 2.99Å
454	G	83.7	Confident	83.2	Confident	6 Å²	6	71.4 Å²	71.4	6%	0.062	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-64.2	-13.9	-177.1	0	0	0	0	0	115.1	N451 R452 L456 D457	N451-G454 PolarHBondContact O-N 2.81Å; R452-G454 VanDerWaalsContact C-N 3.34Å; G454-L456 PolarHBondContact O-N 2.89Å; G454-D457 PolarHBondContact O-N 3.19Å
455	Y	84.6	Confident	81.8	Confident	22 Å²	22	71 Å²	71	9%	0.086	39%	0.386	C	S	.	.	H	α-helix	trans	-66	-22.6	168.2	71.1	-93	0	0	0	112.5	R452 L453 D457 L458 Y459 L472 L475 E476	R452-Y455 WeakPolarHBondContact O-CD1 3.4Å; R452-Y455 VanDerWaalsContact O-CE1 3.25Å; R452-Y455 WeakPolarHBondContact O-CE1 3.48Å; L453-Y455 PolarHBondContact O-N 3.06Å; L453-Y455 VanDerWaalsContact O-N 3.1Å; Y455-D457 VanDerWaalsContact C-N 3.31Å; Y455-D457 PolarHBondContact O-N 3.46Å; Y455-L458 WeakPolarHBondContact O-CB 3.42Å; Y455-L458 PolarHBondContact O-N 3.33Å; Y455-Y459 PolarHBondContact O-N 3.44Å; Y455-L472 HydrophobicContact CD2-CD1 4.19Å; Y455-L472 HydrophobicContact CE2-CD1 3.85Å; Y455-L472 HydrophobicContact CE2-CG 4.13Å; Y455-L475 HydrophobicContact CD2-CD2 4.19Å; Y455-E476 HydrophobicContact CD1-CB 3.84Å; Y455-E476 HydrophobicContact CD1-CG 3.89Å; Y455-E476 HydrophobicContact CD2-CB 4.4Å; Y455-E476 HydrophobicContact CE1-CB 3.75Å; Y455-E476 HydrophobicContact CE1-CG 3.57Å; Y455-E476 HydrophobicContact CE2-CB 4.29Å; Y455-E476 HydrophobicContact CG-CB 4.19Å
456	L	86	Confident	80.8	Confident	52 Å²	52	74.4 Å²	74.4	27%	0.272	41%	0.414	S	S	.	.	H	α-helix	trans	-69	-27.9	177	-64	176.5	0	0	0	112.5	L453 G454 Y459 R460	L453-L456 HydrophobicContact CB-CD1 4.3Å; L453-L456 HydrophobicContact CD2-CD1 4.29Å; L453-L456 VanDerWaalsContact O-CB 3.27Å; L453-L456 WeakPolarHBondContact O-CB 3.31Å; L453-L456 WeakPolarHBondContact O-CG 3.41Å; L453-L456 PolarHBondContact O-N 2.99Å; G454-L456 PolarHBondContact O-N 2.89Å; L456-Y459 WeakPolarHBondContact O-CB 3.49Å; L456-Y459 PolarHBondContact O-N 2.87Å; L456-R460 WeakPolarHBondContact O-CB 3.14Å; L456-R460 WeakPolarHBondContact O-CG 3.18Å; L456-R460 PolarHBondContact O-N 2.89Å
457	D	84.2	Confident	80.2	Confident	69 Å²	69	70 Å²	70	37%	0.369	39%	0.386	S	S	.	.	H	α-helix	trans	-71.8	-37.5	170.9	-73.6	-62.7	0	0	0	112.1	G454 Y455 Y459 R460 Q461	G454-D457 PolarHBondContact O-N 3.19Å; Y455-D457 VanDerWaalsContact C-N 3.31Å; Y455-D457 PolarHBondContact O-N 3.46Å; D457-Y459 VanDerWaalsContact C-N 3.33Å; D457-R460 PolarHBondContact O-N 3.08Å; D457-R460 IonicContact OD1-CZ 2.71Å; D457-R460 VanDerWaalsContact OD1-CZ 3.24Å; D457-R460 IonicContact OD1-NE 3.58Å; D457-R460 PolarHBondContact OD1-NE 2.68Å; D457-R460 IonicContact OD1-NH2 3.22Å; D457-R460 PolarHBondContact OD1-NH2 3.19Å; D457-R460 IonicContact OD2-NH2 2.76Å; D457-R460 PolarHBondContact OD2-NH2 3.3Å; D457-Q461 WeakPolarHBondContact O-CB 2.69Å; D457-Q461 WeakPolarHBondContact O-CG 3.45Å; D457-Q461 PolarHBondContact O-N 3.03Å
458	L	82.5	Confident	79.7	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.01	40%	0.401	C	S	.	.	H	α-helix	trans	-62.3	-43	169.5	-59.1	-177.4	0	0	0	110.5	Y455 Q461 T462 Y479 N499 L502 K503	Y455-L458 WeakPolarHBondContact O-CB 3.42Å; Y455-L458 PolarHBondContact O-N 3.33Å; L458-Q461 PolarHBondContact O-N 3.06Å; L458-T462 PolarHBondContact O-OG1 3.39Å; L458-Y479 HydrophobicContact CD1-CD2 3.64Å; L458-Y479 HydrophobicContact CD1-CE2 3.86Å; L458-N499 HydrophobicContact CD2-CB 4.18Å; L458-L502 HydrophobicContact CD1-CD2 4.17Å; L458-K503 WeakPolarHBondContact O-CE 3.46Å; L458-K503 PolarHBondContact O-NZ 2.71Å
459	Y	81.6	Confident	79.4	Confident	72 Å²	72	72.5 Å²	72.5	28%	0.282	40%	0.399	S	S	.	.	H	α-helix	trans	-56.8	-55.8	173.5	-179.3	-82.2	0	0	0	111.2	Y455 L456 D457 Q461 T462 F467 L472	Y455-Y459 PolarHBondContact O-N 3.44Å; L456-Y459 WeakPolarHBondContact O-CB 3.49Å; L456-Y459 PolarHBondContact O-N 2.87Å; D457-Y459 VanDerWaalsContact C-N 3.33Å; Y459-Q461 VanDerWaalsContact C-N 3.29Å; Y459-Q461 PolarHBondContact O-N 3.04Å; Y459-T462 WeakPolarHBondContact O-CB 3.27Å; Y459-T462 PolarHBondContact O-N 2.84Å; Y459-T462 PolarHBondContact O-OG1 2.77Å; Y459-F467 HydrophobicContact CD2-CB 4.34Å; Y459-F467 AromaticContact CD2-CD2 3.49Å; Y459-F467 HydrophobicContact CD2-CD2 3.49Å; Y459-F467 VanDerWaalsContact CD2-CD2 3.49Å; Y459-F467 HydrophobicContact CD2-CE2 4.16Å; Y459-F467 HydrophobicContact CD2-CG 4.26Å; Y459-F467 HydrophobicContact CE2-CB 3.92Å; Y459-F467 AromaticContact CE2-CD2 3.54Å; Y459-F467 HydrophobicContact CE2-CD2 3.54Å; Y459-F467 HydrophobicContact CE2-CG 4.18Å; Y459-L472 HydrophobicContact CD2-CD1 3.77Å; Y459-L472 HydrophobicContact CE2-CD1 4.19Å
460	R	81.8	Confident	79.5	Confident	153 Å²	153	69 Å²	69	58%	0.577	37%	0.371	S	S	*	.	H	α-helix	trans	-52	-43.9	178.6	-78.5	-175.3	-80.9	-99	10.4	112.5	L456 D457 T462 G463	L456-R460 WeakPolarHBondContact O-CB 3.14Å; L456-R460 WeakPolarHBondContact O-CG 3.18Å; L456-R460 PolarHBondContact O-N 2.89Å; D457-R460 PolarHBondContact O-N 3.08Å; D457-R460 IonicContact OD1-CZ 2.71Å; D457-R460 VanDerWaalsContact OD1-CZ 3.24Å; D457-R460 IonicContact OD1-NE 3.58Å; D457-R460 PolarHBondContact OD1-NE 2.68Å; D457-R460 IonicContact OD1-NH2 3.22Å; D457-R460 PolarHBondContact OD1-NH2 3.19Å; D457-R460 IonicContact OD2-NH2 2.76Å; D457-R460 PolarHBondContact OD2-NH2 3.3Å; R460-T462 PolarHBondContact O-N 3.16Å; R460-G463 PolarHBondContact O-N 3.2Å
461	Q	78	Confident	79.6	Confident	123 Å²	123	69 Å²	69	58%	0.575	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-2.7	176.9	-71.1	167.9	20.5	0	0	114.7	D457 L458 Y459	D457-Q461 WeakPolarHBondContact O-CB 2.69Å; D457-Q461 WeakPolarHBondContact O-CG 3.45Å; D457-Q461 PolarHBondContact O-N 3.03Å; L458-Q461 PolarHBondContact O-N 3.06Å; Y459-Q461 VanDerWaalsContact C-N 3.29Å; Y459-Q461 PolarHBondContact O-N 3.04Å
462	T	69.7	Low	79.7	Confident	35 Å²	35	66 Å²	66	22%	0.215	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-11.8	179.1	-36.9	0	0	0	0	112.7	L458 Y459 R460 S464 F467 K503	L458-T462 PolarHBondContact O-OG1 3.39Å; Y459-T462 WeakPolarHBondContact O-CB 3.27Å; Y459-T462 PolarHBondContact O-N 2.84Å; Y459-T462 PolarHBondContact O-OG1 2.77Å; R460-T462 PolarHBondContact O-N 3.16Å; T462-S464 PolarHBondContact O-N 3.14Å; T462-F467 HydrophobicContact CG2-CE2 4Å; T462-F467 HydrophobicContact CG2-CZ 4.27Å; T462-K503 PolarHBondContact OG1-NZ 3.31Å
463	G	59.7	Low	80	Confident	73 Å²	73	62.6 Å²	62.6	75%	0.753	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	-37.6	163.3	0	0	0	0	0	117.4	R460	R460-G463 PolarHBondContact O-N 3.2Å
464	S	57.2	Low	80.3	Confident	118 Å²	118	57.8 Å²	57.8	83%	0.825	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.3	-23	-177.9	-56.8	0	0	0	0	115.4	T462 S466	T462-S464 PolarHBondContact O-N 3.14Å; S464-S466 PolarHBondContact O-N 3.17Å
465	S	62.6	Low	80.7	Confident	44 Å²	44	57.5 Å²	57.5	31%	0.308	32%	0.315	S	S	.	.			trans	-75.8	110	-175	-57.5	0	0	0	0	112.4	F467	S465-F467 WeakPolarHBondContact O-CD2 3.13Å; S465-F467 PolarHBondContact O-N 3.23Å
466	S	73.4	Confident	81.1	Confident	99 Å²	99	59.9 Å²	59.9	69%	0.692	33%	0.327	S	S	*	.			trans	-75.2	101.6	168.4	55.3	0	0	0	0	110.4	S464	S464-S466 PolarHBondContact O-N 3.17Å
467	F	79.4	Confident	81.4	Confident	19 Å²	19	59.7 Å²	59.7	8%	0.083	33%	0.326	C	S	.	.			trans	-74.7	131	173.5	-64.2	-98.8	0	0	0	110.3	Y459 T462 S465 Q471 E507	Y459-F467 HydrophobicContact CD2-CB 4.34Å; Y459-F467 AromaticContact CD2-CD2 3.49Å; Y459-F467 HydrophobicContact CD2-CD2 3.49Å; Y459-F467 VanDerWaalsContact CD2-CD2 3.49Å; Y459-F467 HydrophobicContact CD2-CE2 4.16Å; Y459-F467 HydrophobicContact CD2-CG 4.26Å; Y459-F467 HydrophobicContact CE2-CB 3.92Å; Y459-F467 AromaticContact CE2-CD2 3.54Å; Y459-F467 HydrophobicContact CE2-CD2 3.54Å; Y459-F467 HydrophobicContact CE2-CG 4.18Å; T462-F467 HydrophobicContact CG2-CE2 4Å; T462-F467 HydrophobicContact CG2-CZ 4.27Å; S465-F467 WeakPolarHBondContact O-CD2 3.13Å; S465-F467 PolarHBondContact O-N 3.23Å; F467-Q471 HydrophobicContact CB-CB 4.04Å; F467-Q471 HydrophobicContact CD1-CB 3.85Å; F467-Q471 HydrophobicContact CG-CB 4.46Å; F467-E507 HydrophobicContact CE1-CB 3.98Å
468	S	83.1	Confident	81.9	Confident	59 Å²	59	56.4 Å²	56.4	41%	0.413	31%	0.308	S	S	.	.			trans	-67.2	163.7	171	64.2	0	0	0	0	112.1	R470 Q471 L472	S468-R470 VanDerWaalsContact C-N 3.26Å; S468-R470 PolarHBondContact O-N 3.13Å; S468-R470 VanDerWaalsContact O-N 3.14Å; S468-Q471 PolarHBondContact O-N 3.45Å; S468-Q471 WeakPolarHBondContact OG-CG 3.06Å; S468-Q471 PolarHBondContact OG-OE1 2.84Å; S468-L472 PolarHBondContact O-N 3.02Å
469	H	84.8	Confident	82.4	Confident	70 Å²	70	57.4 Å²	57.4	32%	0.324	31%	0.312	S	S	.	.	H	α-helix	trans	-46.8	-47.3	179.9	-173.7	44.8	0	0	0	113.4	Q471 L472 Y473 L549	H469-Q471 PolarHBondContact O-N 3.44Å; H469-L472 PolarHBondContact O-N 3.28Å; H469-Y473 WeakPolarHBondContact O-CB 3.47Å; H469-Y473 PolarHBondContact O-N 2.88Å; H469-L549 HydrophobicContact CB-CD1 3.44Å; H469-L549 VanDerWaalsContact CB-CD1 3.44Å
470	R	89.4	Confident	83	Confident	64 Å²	64	55.7 Å²	55.7	24%	0.242	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-44.6	178.5	-66	-174.6	163.6	172.3	-11.1	112.6	S468 A474 L509 A541 R542 L544 I546	S468-R470 VanDerWaalsContact C-N 3.26Å; S468-R470 PolarHBondContact O-N 3.13Å; S468-R470 VanDerWaalsContact O-N 3.14Å; R470-A474 WeakPolarHBondContact O-CB 3.33Å; R470-A474 PolarHBondContact O-N 2.96Å; R470-L509 HydrophobicContact CB-CD1 3.99Å; R470-A541 VanDerWaalsContact CB-O 3.26Å; R470-A541 WeakPolarHBondContact CB-O 3.21Å; R470-A541 WeakPolarHBondContact CG-O 3.29Å; R470-R542 PolarHBondContact NE-O 2.94Å; R470-R542 PolarHBondContact NH2-O 3.04Å; R470-R542 VanDerWaalsContact NH2-O 3.12Å; R470-L544 HydrophobicContact CG-CB 4.34Å; R470-L544 PolarHBondContact NE-O 2.89Å; R470-L544 PolarHBondContact NH2-O 3.38Å; R470-I546 VanDerWaalsContact CZ-CG1 3.46Å
471	Q	90.8	Very high	83.6	Confident	38 Å²	38	49.7 Å²	49.7	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-73.1	-33	-179.7	-59.8	164.8	-62.7	0	0	111.4	F467 S468 H469 A474 L475 A506 E507 L509	F467-Q471 HydrophobicContact CB-CB 4.04Å; F467-Q471 HydrophobicContact CD1-CB 3.85Å; F467-Q471 HydrophobicContact CG-CB 4.46Å; S468-Q471 PolarHBondContact O-N 3.45Å; S468-Q471 WeakPolarHBondContact OG-CG 3.06Å; S468-Q471 PolarHBondContact OG-OE1 2.84Å; H469-Q471 PolarHBondContact O-N 3.44Å; Q471-A474 PolarHBondContact O-N 2.92Å; Q471-L475 WeakPolarHBondContact O-CB 3.44Å; Q471-L475 PolarHBondContact O-N 3.45Å; Q471-A506 VanDerWaalsContact CB-O 3.26Å; Q471-A506 WeakPolarHBondContact CB-O 3.37Å; Q471-A506 VanDerWaalsContact CG-O 3.29Å; Q471-A506 WeakPolarHBondContact CG-O 3.12Å; Q471-E507 PolarHBondContact NE2-O 3.11Å; Q471-L509 HydrophobicContact CG-CD1 3.64Å; Q471-L509 HydrophobicContact CG-CG 3.97Å
472	L	89.7	Confident	84.4	Confident	28 Å²	28	44.1 Å²	44.1	15%	0.147	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-43.9	175.1	-167.6	68	0	0	0	111.8	Y455 Y459 S468 H469 A474 L475 E476	Y455-L472 HydrophobicContact CD2-CD1 4.19Å; Y455-L472 HydrophobicContact CE2-CD1 3.85Å; Y455-L472 HydrophobicContact CE2-CG 4.13Å; Y459-L472 HydrophobicContact CD2-CD1 3.77Å; Y459-L472 HydrophobicContact CE2-CD1 4.19Å; S468-L472 PolarHBondContact O-N 3.02Å; H469-L472 PolarHBondContact O-N 3.28Å; L472-A474 VanDerWaalsContact C-N 3.33Å; L472-A474 PolarHBondContact O-N 3.16Å; L472-L475 HydrophobicContact CD1-CD2 4.43Å; L472-L475 WeakPolarHBondContact O-CB 3.38Å; L472-L475 PolarHBondContact O-N 3.19Å; L472-L475 VanDerWaalsContact O-N 3.15Å; L472-E476 PolarHBondContact O-N 3.44Å
473	Y	91.4	Very high	85.5	Confident	68 Å²	68	43 Å²	43	27%	0.267	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-40.7	172.2	173.3	-87.8	0	0	0	111.8	H469 E476 N477 D540 A541 L544	H469-Y473 WeakPolarHBondContact O-CB 3.47Å; H469-Y473 PolarHBondContact O-N 2.88Å; Y473-E476 PolarHBondContact O-N 3.04Å; Y473-N477 WeakPolarHBondContact CD2-ND2 3.43Å; Y473-N477 VanDerWaalsContact CE2-ND2 3.34Å; Y473-N477 WeakPolarHBondContact CE2-ND2 3.24Å; Y473-N477 WeakPolarHBondContact O-CB 3.18Å; Y473-N477 PolarHBondContact O-N 2.92Å; Y473-N477 PolarHBondContact O-ND2 3.07Å; Y473-D540 HydrophobicContact CE1-CB 4.34Å; Y473-A541 HydrophobicContact CD1-CB 3.69Å; Y473-A541 HydrophobicContact CE1-CB 4.17Å; Y473-L544 HydrophobicContact CD1-CD1 3.64Å; Y473-L544 HydrophobicContact CD2-CD1 3.78Å; Y473-L544 HydrophobicContact CE1-CD1 4.18Å; Y473-L544 HydrophobicContact CE2-CD1 4.28Å; Y473-L544 HydrophobicContact CG-CD1 3.41Å; Y473-L544 VanDerWaalsContact CG-CD1 3.41Å
474	A	92.7	Very high	87.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-61	-44.8	171.9	0	0	0	0	0	111.3	R470 Q471 L472 E476 N477 L478 A506 L509 A541	R470-A474 WeakPolarHBondContact O-CB 3.33Å; R470-A474 PolarHBondContact O-N 2.96Å; Q471-A474 PolarHBondContact O-N 2.92Å; L472-A474 VanDerWaalsContact C-N 3.33Å; L472-A474 PolarHBondContact O-N 3.16Å; A474-E476 PolarHBondContact O-N 3.35Å; A474-N477 PolarHBondContact O-N 3.36Å; A474-L478 HydrophobicContact CB-CD1 4.42Å; A474-L478 WeakPolarHBondContact O-CB 3.48Å; A474-L478 WeakPolarHBondContact O-CD1 3.41Å; A474-L478 WeakPolarHBondContact O-CG 3.32Å; A474-L478 PolarHBondContact O-N 2.93Å; A474-A506 HydrophobicContact CB-CB 4.37Å; A474-L509 HydrophobicContact CB-CD2 3.54Å; A474-A541 HydrophobicContact CB-CB 3.81Å
475	L	92.4	Very high	88.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-45.5	179	-166.7	75.3	0	0	0	112	Y455 Q471 L472 Y479 L502 A506	Y455-L475 HydrophobicContact CD2-CD2 4.19Å; Q471-L475 WeakPolarHBondContact O-CB 3.44Å; Q471-L475 PolarHBondContact O-N 3.45Å; L472-L475 HydrophobicContact CD1-CD2 4.43Å; L472-L475 WeakPolarHBondContact O-CB 3.38Å; L472-L475 PolarHBondContact O-N 3.19Å; L472-L475 VanDerWaalsContact O-N 3.15Å; L475-Y479 WeakPolarHBondContact O-CB 3.49Å; L475-Y479 PolarHBondContact O-N 2.82Å; L475-L502 HydrophobicContact CD1-CD2 3.48Å; L475-L502 VanDerWaalsContact CD1-CD2 3.48Å; L475-L502 HydrophobicContact CG-CD2 4.35Å; L475-A506 HydrophobicContact CB-CB 4.02Å; L475-A506 HydrophobicContact CD1-CB 3.74Å
476	E	93.1	Very high	90.4	Very high	71 Å²	71	34.2 Å²	34.2	33%	0.332	19%	0.185	S	C	.	.	H	α-helix	trans	-61	-53.8	176.3	176.5	176.4	-160.3	0	0	112	Y455 L472 Y473 A474 Y479 A480	Y455-E476 HydrophobicContact CD1-CB 3.84Å; Y455-E476 HydrophobicContact CD1-CG 3.89Å; Y455-E476 HydrophobicContact CD2-CB 4.4Å; Y455-E476 HydrophobicContact CE1-CB 3.75Å; Y455-E476 HydrophobicContact CE1-CG 3.57Å; Y455-E476 HydrophobicContact CE2-CB 4.29Å; Y455-E476 HydrophobicContact CG-CB 4.19Å; L472-E476 PolarHBondContact O-N 3.44Å; Y473-E476 PolarHBondContact O-N 3.04Å; A474-E476 PolarHBondContact O-N 3.35Å; E476-Y479 WeakPolarHBondContact O-CB 3.23Å; E476-Y479 PolarHBondContact O-N 2.68Å; E476-A480 PolarHBondContact O-N 2.74Å
477	N	92.9	Very high	91.4	Very high	48 Å²	48	30.4 Å²	30.4	26%	0.257	16%	0.156	S	C	.	.	H	α-helix	trans	-70.1	-36	-175.9	-75.6	-88.3	0	0	0	112.3	Y473 A474 Y479 A480 L481 I537	Y473-N477 WeakPolarHBondContact CD2-ND2 3.43Å; Y473-N477 VanDerWaalsContact CE2-ND2 3.34Å; Y473-N477 WeakPolarHBondContact CE2-ND2 3.24Å; Y473-N477 WeakPolarHBondContact O-CB 3.18Å; Y473-N477 PolarHBondContact O-N 2.92Å; Y473-N477 PolarHBondContact O-ND2 3.07Å; A474-N477 PolarHBondContact O-N 3.36Å; N477-Y479 VanDerWaalsContact C-N 3.34Å; N477-A480 PolarHBondContact O-N 2.79Å; N477-L481 WeakPolarHBondContact O-CB 3.23Å; N477-L481 PolarHBondContact O-N 3.47Å; N477-I537 HydrophobicContact CB-CD1 4.19Å; N477-I537 HydrophobicContact CB-CG1 4.3Å; N477-I537 HydrophobicContact CB-CG2 3.5Å
478	L	93.9	Very high	92.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67	-34.4	172.2	-68	170.2	0	0	0	111.9	A474 R482 L502 I505 A506 L534 I537	A474-L478 HydrophobicContact CB-CD1 4.42Å; A474-L478 WeakPolarHBondContact O-CB 3.48Å; A474-L478 WeakPolarHBondContact O-CD1 3.41Å; A474-L478 WeakPolarHBondContact O-CG 3.32Å; A474-L478 PolarHBondContact O-N 2.93Å; L478-R482 VanDerWaalsContact O-CB 3.25Å; L478-R482 WeakPolarHBondContact O-CB 3.4Å; L478-R482 PolarHBondContact O-N 2.75Å; L478-L502 HydrophobicContact CB-CG 4.41Å; L478-I505 HydrophobicContact CD1-CB 4.34Å; L478-I505 HydrophobicContact CD1-CG2 3.74Å; L478-A506 HydrophobicContact CD1-CB 4.36Å; L478-L534 HydrophobicContact CD2-CD2 3.51Å; L478-I537 HydrophobicContact CD2-CB 4.49Å; L478-I537 HydrophobicContact CD2-CG2 4.16Å; L478-I537 HydrophobicContact CG-CG2 4.07Å
479	Y	93.8	Very high	92.5	Very high	24 Å²	24	34.2 Å²	34.2	9%	0.094	16%	0.162	C	C	.	.	H	α-helix	trans	-66.7	-43.2	174.5	-179.3	-94.6	0	0	0	111.6	F450 N451 L458 L475 E476 N477 R482 D483	F450-Y479 HydrophobicContact CD2-CE1 4.29Å; F450-Y479 AromaticContact CE2-CD1 3.62Å; F450-Y479 HydrophobicContact CE2-CD1 3.62Å; F450-Y479 AromaticContact CE2-CE1 3.41Å; F450-Y479 HydrophobicContact CE2-CE1 3.41Å; F450-Y479 VanDerWaalsContact CE2-CE1 3.41Å; F450-Y479 AromaticContact CZ-CD1 3.86Å; F450-Y479 HydrophobicContact CZ-CD1 3.86Å; F450-Y479 AromaticContact CZ-CE1 3.96Å; F450-Y479 HydrophobicContact CZ-CE1 3.96Å; N451-Y479 WeakPolarHBondContact O-CE1 3.19Å; L458-Y479 HydrophobicContact CD1-CD2 3.64Å; L458-Y479 HydrophobicContact CD1-CE2 3.86Å; L475-Y479 WeakPolarHBondContact O-CB 3.49Å; L475-Y479 PolarHBondContact O-N 2.82Å; E476-Y479 WeakPolarHBondContact O-CB 3.23Å; E476-Y479 PolarHBondContact O-N 2.68Å; N477-Y479 VanDerWaalsContact C-N 3.34Å; Y479-R482 PolarHBondContact O-N 3.04Å; Y479-D483 PolarHBondContact O-N 3.02Å
480	A	93.9	Very high	93	Very high	35 Å²	35	31.3 Å²	31.3	29%	0.289	15%	0.148	S	C	.	.	H	α-helix	trans	-67.4	-46.1	175.5	0	0	0	0	0	113.3	F450 E476 N477 R482 D483 S484	F450-A480 HydrophobicContact CE1-CB 4.23Å; F450-A480 HydrophobicContact CZ-CB 3.78Å; E476-A480 PolarHBondContact O-N 2.74Å; N477-A480 PolarHBondContact O-N 2.79Å; A480-R482 VanDerWaalsContact C-N 3.25Å; A480-R482 PolarHBondContact O-N 2.78Å; A480-D483 PolarHBondContact O-N 2.8Å; A480-S484 PolarHBondContact O-N 3.05Å; A480-S484 VanDerWaalsContact O-N 3.09Å
481	L	93	Very high	93.3	Very high	27 Å²	27	28.5 Å²	28.5	14%	0.141	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-36.7	176	177.7	61.2	0	0	0	111.4	N477 S484 I485 D533 L534 I537	N477-L481 WeakPolarHBondContact O-CB 3.23Å; N477-L481 PolarHBondContact O-N 3.47Å; L481-S484 PolarHBondContact O-N 3.19Å; L481-I485 HydrophobicContact CD1-CD1 3.87Å; L481-I485 HydrophobicContact CD1-CG1 4.04Å; L481-I485 HydrophobicContact CD2-CD1 4.31Å; L481-I485 HydrophobicContact CG-CD1 3.74Å; L481-I485 HydrophobicContact CG-CG1 4.35Å; L481-I485 WeakPolarHBondContact O-CG1 3.41Å; L481-I485 PolarHBondContact O-N 3.16Å; L481-D533 HydrophobicContact CD1-CB 4.45Å; L481-D533 HydrophobicContact CD2-CB 3.77Å; L481-L534 HydrophobicContact CD2-CD2 3.9Å; L481-L534 HydrophobicContact CD2-CG 4.21Å; L481-I537 HydrophobicContact CB-CD1 3.8Å; L481-I537 HydrophobicContact CD2-CD1 3.5Å; L481-I537 HydrophobicContact CG-CD1 4.23Å
482	R	94.8	Very high	93.4	Very high	6 Å²	6	27.5 Å²	27.5	2%	0.023	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-43.9	176.4	-175.9	-177.9	66.4	163	1	112.5	L478 Y479 A480 I485 A486 L493 V496 L497 N499 L502	L478-R482 VanDerWaalsContact O-CB 3.25Å; L478-R482 WeakPolarHBondContact O-CB 3.4Å; L478-R482 PolarHBondContact O-N 2.75Å; Y479-R482 PolarHBondContact O-N 3.04Å; A480-R482 VanDerWaalsContact C-N 3.25Å; A480-R482 PolarHBondContact O-N 2.78Å; R482-I485 PolarHBondContact O-N 3.23Å; R482-A486 WeakPolarHBondContact O-CB 3.4Å; R482-A486 PolarHBondContact O-N 3.21Å; R482-L493 HydrophobicContact CG-CD2 4.1Å; R482-V496 HydrophobicContact CG-CB 4.09Å; R482-V496 HydrophobicContact CG-CG1 3.85Å; R482-L497 VanDerWaalsContact CD-O 3.23Å; R482-L497 WeakPolarHBondContact CD-O 3.37Å; R482-L497 HydrophobicContact CG-CB 4.31Å; R482-L497 PolarHBondContact NH1-O 3.3Å; R482-N499 PolarHBondContact NH1-OD1 3.22Å; R482-L502 HydrophobicContact CB-CD1 4.46Å
483	D	94.3	Very high	93.6	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.059	14%	0.14	C	C	.	.	H	α-helix	trans	-65.3	-42.7	177.4	-162.4	70.8	0	0	0	111.3	F450 Y479 A480 I485 A486 R487 L493	F450-D483 HydrophobicContact CD2-CB 3.56Å; F450-D483 VanDerWaalsContact CD2-CG 3.41Å; F450-D483 WeakPolarHBondContact CD2-OD2 3.39Å; F450-D483 HydrophobicContact CE2-CB 3.68Å; F450-D483 HydrophobicContact CG-CB 4.39Å; Y479-D483 PolarHBondContact O-N 3.02Å; A480-D483 PolarHBondContact O-N 2.8Å; D483-I485 PolarHBondContact O-N 3.23Å; D483-A486 PolarHBondContact O-N 2.95Å; D483-R487 WeakPolarHBondContact O-CG 3.38Å; D483-R487 PolarHBondContact O-N 2.86Å; D483-R487 IonicContact OD2-CZ 3.89Å; D483-R487 IonicContact OD2-NE 3.64Å; D483-R487 PolarHBondContact OD2-NE 2.71Å; D483-R487 IonicContact OD2-NH2 3.76Å; D483-R487 PolarHBondContact OD2-NH2 3.23Å; D483-L493 HydrophobicContact CB-CD2 4.32Å
484	S	93.7	Very high	93.6	Very high	48 Å²	48	30 Å²	30	34%	0.336	15%	0.15	S	C	.	.	H	α-helix	trans	-58	-46.6	174.2	179.8	0	0	0	0	112.8	A480 L481 R488	A480-S484 PolarHBondContact O-N 3.05Å; A480-S484 VanDerWaalsContact O-N 3.09Å; L481-S484 PolarHBondContact O-N 3.19Å; S484-R488 VanDerWaalsContact O-CB 3.25Å; S484-R488 WeakPolarHBondContact O-CB 3.32Å; S484-R488 PolarHBondContact O-N 2.99Å
485	I	93.6	Very high	93.7	Very high	4 Å²	4	32 Å²	32	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-42	175.9	-68.1	167.2	0	0	0	111.1	L481 R482 D483 R488 E489 V496 L526 Y530	L481-I485 HydrophobicContact CD1-CD1 3.87Å; L481-I485 HydrophobicContact CD1-CG1 4.04Å; L481-I485 HydrophobicContact CD2-CD1 4.31Å; L481-I485 HydrophobicContact CG-CD1 3.74Å; L481-I485 HydrophobicContact CG-CG1 4.35Å; L481-I485 WeakPolarHBondContact O-CG1 3.41Å; L481-I485 PolarHBondContact O-N 3.16Å; R482-I485 PolarHBondContact O-N 3.23Å; D483-I485 PolarHBondContact O-N 3.23Å; I485-R488 PolarHBondContact O-N 3.22Å; I485-E489 HydrophobicContact CG2-CG 4.37Å; I485-E489 WeakPolarHBondContact O-CB 3.35Å; I485-E489 PolarHBondContact O-N 3.37Å; I485-V496 HydrophobicContact CB-CG1 4.02Å; I485-V496 HydrophobicContact CG2-CG1 3.65Å; I485-V496 HydrophobicContact CG2-CG2 4.09Å; I485-L526 HydrophobicContact CG2-CD1 4.24Å; I485-Y530 HydrophobicContact CD1-CD2 3.77Å; I485-Y530 HydrophobicContact CD1-CG 3.79Å; I485-Y530 HydrophobicContact CG1-CD2 4.03Å; I485-Y530 HydrophobicContact CG1-CE2 4.29Å; I485-Y530 HydrophobicContact CG1-CG 4.28Å; I485-Y530 HydrophobicContact CG2-CD2 3.8Å; I485-Y530 HydrophobicContact CG2-CE2 3.77Å
486	A	95.4	Very high	93.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-61	-46.2	-179.4	0	0	0	0	0	111.9	F291 R482 D483 D490 E491 L493 V496	F291-A486 HydrophobicContact CD2-CB 3.69Å; F291-A486 HydrophobicContact CE2-CB 4Å; R482-A486 WeakPolarHBondContact O-CB 3.4Å; R482-A486 PolarHBondContact O-N 3.21Å; D483-A486 PolarHBondContact O-N 2.95Å; A486-D490 WeakPolarHBondContact O-CA 3.44Å; A486-D490 PolarHBondContact O-N 2.78Å; A486-D490 VanDerWaalsContact O-N 3.07Å; A486-E491 WeakPolarHBondContact CA-O 3.43Å; A486-E491 WeakPolarHBondContact CB-O 3.45Å; A486-E491 PolarHBondContact O-N 3.15Å; A486-L493 HydrophobicContact CB-CD2 3.79Å; A486-L493 HydrophobicContact CB-CG 4.49Å; A486-V496 HydrophobicContact CB-CG2 3.82Å
487	R	94.2	Very high	93.7	Very high	18 Å²	18	28.9 Å²	28.9	7%	0.068	14%	0.143	C	C	.	.	H	α-helix	trans	-62.3	-52.9	173.9	-69.8	175.3	-173.9	-89.3	-2.6	112	N189 S190 F291 P448 D483 E489 D490	N189-R487 HydrophobicContact CB-CB 3.95Å; N189-R487 HydrophobicContact CB-CG 4.24Å; N189-R487 WeakPolarHBondContact CB-O 3.45Å; N189-R487 PolarHBondContact ND2-O 2.79Å; N189-R487 VanDerWaalsContact O-CD 3.27Å; N189-R487 WeakPolarHBondContact O-CD 3.28Å; N189-R487 WeakPolarHBondContact O-CG 3.46Å; N189-R487 PolarHBondContact O-NH1 2.88Å; S190-R487 PolarHBondContact O-NH1 3.25Å; F291-R487 HydrophobicContact CD1-CG 3.89Å; F291-R487 HydrophobicContact CD2-CG 4.16Å; F291-R487 HydrophobicContact CE1-CG 3.56Å; F291-R487 HydrophobicContact CE2-CG 3.83Å; F291-R487 HydrophobicContact CG-CG 4.19Å; F291-R487 HydrophobicContact CZ-CG 3.53Å; F291-R487 VanDerWaalsContact CZ-CZ 3.5Å; P448-R487 PolarHBondContact O-NH2 3.19Å; D483-R487 WeakPolarHBondContact O-CG 3.38Å; D483-R487 PolarHBondContact O-N 2.86Å; D483-R487 IonicContact OD2-CZ 3.89Å; D483-R487 IonicContact OD2-NE 3.64Å; D483-R487 PolarHBondContact OD2-NE 2.71Å; D483-R487 IonicContact OD2-NH2 3.76Å; D483-R487 PolarHBondContact OD2-NH2 3.23Å; R487-E489 PolarHBondContact O-N 2.94Å; R487-D490 PolarHBondContact O-N 2.96Å
488	R	92.7	Very high	93.8	Very high	135 Å²	135	27.1 Å²	27.1	51%	0.509	13%	0.134	S	C	.	.	H	α-helix	trans	-63	-36.8	-174.2	179.5	172.8	63.3	-165.9	-4.5	113.7	S484 I485 Y530	S484-R488 VanDerWaalsContact O-CB 3.25Å; S484-R488 WeakPolarHBondContact O-CB 3.32Å; S484-R488 PolarHBondContact O-N 2.99Å; I485-R488 PolarHBondContact O-N 3.22Å; R488-Y530 VanDerWaalsContact NH2-CZ 3.34Å
489	E	92.3	Very high	93.7	Very high	24 Å²	24	29.7 Å²	29.7	11%	0.112	15%	0.148	C	C	.	.	H	α-helix	trans	-93.3	-7	178.8	-64.1	-83.1	126.8	0	0	112.5	K79 R178 I485 R487 E491 L526 K529 Y530	K79-E489 IonicContact NZ-OE1 3.18Å; K79-E489 PolarHBondContact NZ-OE1 2.67Å; K79-E489 IonicContact NZ-OE2 3.77Å; R178-E489 VanDerWaalsContact CZ-O 3.24Å; R178-E489 PolarHBondContact NH1-O 3.48Å; R178-E489 PolarHBondContact NH2-O 3.49Å; I485-E489 HydrophobicContact CG2-CG 4.37Å; I485-E489 WeakPolarHBondContact O-CB 3.35Å; I485-E489 PolarHBondContact O-N 3.37Å; R487-E489 PolarHBondContact O-N 2.94Å; E489-E491 HydrophobicContact CB-CG 4.1Å; E489-L526 HydrophobicContact CB-CD1 4.49Å; E489-L526 HydrophobicContact CG-CD2 4.28Å; E489-K529 IonicContact OE1-NZ 3.71Å; E489-K529 PolarHBondContact OE1-NZ 2.87Å; E489-K529 IonicContact OE2-NZ 3.78Å; E489-K529 PolarHBondContact OE2-NZ 3.24Å; E489-Y530 HydrophobicContact CG-CE2 4.18Å; E489-Y530 PolarHBondContact OE1-OH 2.9Å; E489-Y530 VanDerWaalsContact OE1-OH 3.09Å
490	D	95.1	Very high	93.6	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.043	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	66.5	-168.9	172.2	51.2	0	0	0	112.1	R178 Q180 N189 S290 F291 A486 R487	R178-D490 IonicContact CZ-OD2 3.28Å; R178-D490 PolarHBondContact NH1-O 3.17Å; R178-D490 VanDerWaalsContact NH2-CB 3.26Å; R178-D490 PolarHBondContact NH2-O 2.92Å; R178-D490 IonicContact NH2-OD2 3.98Å; R178-D490 PolarHBondContact NH2-OD2 3.34Å; Q180-D490 WeakPolarHBondContact CG-OD2 3.43Å; Q180-D490 PolarHBondContact NE2-OD2 3.07Å; N189-D490 WeakPolarHBondContact ND2-CA 3.19Å; N189-D490 WeakPolarHBondContact ND2-CB 3.35Å; N189-D490 PolarHBondContact ND2-OD1 3.18Å; S290-D490 WeakPolarHBondContact CA-O 3.39Å; S290-D490 WeakPolarHBondContact CA-OD1 3.43Å; S290-D490 WeakPolarHBondContact CB-OD1 3.5Å; S290-D490 PolarHBondContact OG-OD1 3.36Å; F291-D490 PolarHBondContact N-OD1 3.14Å; A486-D490 WeakPolarHBondContact O-CA 3.44Å; A486-D490 PolarHBondContact O-N 2.78Å; A486-D490 VanDerWaalsContact O-N 3.07Å; R487-D490 PolarHBondContact O-N 2.96Å
491	E	94.7	Very high	93.5	Very high	6 Å²	6	32.6 Å²	32.6	3%	0.028	16%	0.156	C	C	.	.			trans	-141.4	153.3	-178.6	-66.5	-74.7	-173	0	0	109.9	R178 R289 S290 A486 E489 Y495 V496 L526	R178-E491 WeakPolarHBondContact CD-OE1 3.3Å; R178-E491 IonicContact CZ-OE1 2.92Å; R178-E491 IonicContact NE-OE1 2.74Å; R178-E491 VanDerWaalsContact NH1-CD 3.34Å; R178-E491 IonicContact NH1-OE1 3.23Å; R178-E491 PolarHBondContact NH1-OE1 2.79Å; R289-E491 WeakPolarHBondContact CA-OE2 3.46Å; R289-E491 IonicContact CZ-OE1 2.7Å; R289-E491 IonicContact CZ-OE2 2.57Å; R289-E491 IonicContact NE-OE1 3.8Å; R289-E491 PolarHBondContact NE-OE1 3.41Å; R289-E491 IonicContact NE-OE2 2.78Å; R289-E491 PolarHBondContact NE-OE2 3.37Å; R289-E491 IonicContact NH2-OE1 2.94Å; R289-E491 PolarHBondContact NH2-OE1 2.99Å; R289-E491 IonicContact NH2-OE2 3.53Å; S290-E491 CarbonylContact O-C 3.31Å; A486-E491 WeakPolarHBondContact CA-O 3.43Å; A486-E491 WeakPolarHBondContact CB-O 3.45Å; A486-E491 PolarHBondContact O-N 3.15Å; E489-E491 HydrophobicContact CB-CG 4.1Å; E491-Y495 HydrophobicContact CB-CD1 3.9Å; E491-Y495 HydrophobicContact CG-CD1 3.91Å; E491-Y495 HydrophobicContact CG-CE1 4.2Å; E491-Y495 WeakPolarHBondContact OE2-CD1 3.23Å; E491-V496 HydrophobicContact CB-CG2 4.24Å; E491-L526 HydrophobicContact CB-CD1 4.2Å; E491-L526 HydrophobicContact CG-CD1 4.07Å
492	S	94.5	Very high	93.5	Very high	16 Å²	16	31.3 Å²	31.3	11%	0.112	15%	0.15	C	C	.	.			trans	-69.5	150.1	-179.3	72.3	0	0	0	0	112.3	S287 Y288 S290 H494 Y495 V496	S287-S492 WeakPolarHBondContact O-CB 3.32Å; Y288-S492 WeakPolarHBondContact O-CB 3.29Å; Y288-S492 PolarHBondContact O-OG 3.39Å; S290-S492 PolarHBondContact O-N 2.97Å; S492-H494 PolarHBondContact O-N 3.17Å; S492-Y495 PolarHBondContact O-N 3Å; S492-Y495 WeakPolarHBondContact OG-CB 3.24Å; S492-Y495 PolarHBondContact OG-N 3.3Å; S492-Y495 VanDerWaalsContact OG-N 3.11Å; S492-V496 WeakPolarHBondContact O-CG2 2.98Å; S492-V496 PolarHBondContact O-N 2.96Å
493	L	93.5	Very high	93.2	Very high	46 Å²	46	32.3 Å²	32.3	24%	0.241	15%	0.154	C	C	.	.	H	α-helix	trans	-51.7	-32.3	173.4	-66.3	172.8	0	0	0	112.6	R482 D483 A486 L497	R482-L493 HydrophobicContact CG-CD2 4.1Å; D483-L493 HydrophobicContact CB-CD2 4.32Å; A486-L493 HydrophobicContact CB-CD2 3.79Å; A486-L493 HydrophobicContact CB-CG 4.49Å; L493-L497 CarbonylContact O-C 3.56Å; L493-L497 PolarHBondContact O-N 3.29Å; L493-L497 VanDerWaalsContact O-N 3.17Å; L493-L497 VanDerWaalsContact O-O 3.11Å
494	H	92.1	Very high	93.1	Very high	104 Å²	104	34.4 Å²	34.4	48%	0.481	17%	0.167	S	C	.	.	H	α-helix	trans	-73.9	-40	177	-159.3	116.5	0	0	0	112.4	Y288 S492 P498	Y288-H494 HydrophobicContact CE2-CB 4.44Å; S492-H494 PolarHBondContact O-N 3.17Å; H494-P498 VanDerWaalsContact O-CD 3.28Å; H494-P498 WeakPolarHBondContact O-CD 3.22Å; H494-P498 WeakPolarHBondContact O-CG 3.42Å
495	Y	93.3	Very high	93.1	Very high	40 Å²	40	32.1 Å²	32.1	16%	0.157	15%	0.151	C	C	.	.	H	α-helix	trans	-68.4	-35.2	176.5	-176	-97.8	0	0	0	112.4	Y288 R289 E491 S492 L526	Y288-Y495 AromaticContact CE1-CD2 3.96Å; Y288-Y495 HydrophobicContact CE1-CD2 3.96Å; Y288-Y495 HydrophobicContact CE2-CD2 4.47Å; Y288-Y495 AromaticContact CZ-CD2 3.84Å; R289-Y495 VanDerWaalsContact CD-CD2 3.5Å; R289-Y495 VanDerWaalsContact CZ-CZ 3.49Å; R289-Y495 PolarHBondContact NH2-OH 2.89Å; E491-Y495 HydrophobicContact CB-CD1 3.9Å; E491-Y495 HydrophobicContact CG-CD1 3.91Å; E491-Y495 HydrophobicContact CG-CE1 4.2Å; E491-Y495 WeakPolarHBondContact OE2-CD1 3.23Å; S492-Y495 PolarHBondContact O-N 3Å; S492-Y495 WeakPolarHBondContact OG-CB 3.24Å; S492-Y495 PolarHBondContact OG-N 3.3Å; S492-Y495 VanDerWaalsContact OG-N 3.11Å; Y495-L526 HydrophobicContact CD1-CD1 4.03Å; Y495-L526 HydrophobicContact CE1-CD1 4.13Å; Y495-L526 HydrophobicContact CE1-CG 4.33Å
496	V	93.5	Very high	93.1	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.024	15%	0.15	C	C	.	.	H	α-helix	trans	-65.1	-61.2	174	-180	0	0	0	0	110.9	R482 I485 A486 E491 S492 P524 L526	R482-V496 HydrophobicContact CG-CB 4.09Å; R482-V496 HydrophobicContact CG-CG1 3.85Å; I485-V496 HydrophobicContact CB-CG1 4.02Å; I485-V496 HydrophobicContact CG2-CG1 3.65Å; I485-V496 HydrophobicContact CG2-CG2 4.09Å; A486-V496 HydrophobicContact CB-CG2 3.82Å; E491-V496 HydrophobicContact CB-CG2 4.24Å; S492-V496 WeakPolarHBondContact O-CG2 2.98Å; S492-V496 PolarHBondContact O-N 2.96Å; V496-P524 WeakPolarHBondContact O-CB 3.38Å; V496-L526 HydrophobicContact CB-CD1 4.38Å; V496-L526 HydrophobicContact CG2-CD1 3.76Å
497	L	93.3	Very high	92.8	Very high	3 Å²	3	36 Å²	36	2%	0.016	17%	0.169	C	C	.	.	S	Bend	trans	-158.1	106.3	-179	178.2	61.2	0	0	0	110.4	R482 L493 M501 L502 I505 V527	R482-L497 VanDerWaalsContact CD-O 3.23Å; R482-L497 WeakPolarHBondContact CD-O 3.37Å; R482-L497 HydrophobicContact CG-CB 4.31Å; R482-L497 PolarHBondContact NH1-O 3.3Å; L493-L497 CarbonylContact O-C 3.56Å; L493-L497 PolarHBondContact O-N 3.29Å; L493-L497 VanDerWaalsContact O-N 3.17Å; L493-L497 VanDerWaalsContact O-O 3.11Å; L497-M501 HydrophobicContact CD1-CB 3.61Å; L497-L502 HydrophobicContact CD2-CB 3.94Å; L497-L502 HydrophobicContact CD2-CD1 4.07Å; L497-L502 HydrophobicContact CD2-CG 4.14Å; L497-L502 HydrophobicContact CG-CB 4Å; L497-I505 HydrophobicContact CD1-CD1 3.87Å; L497-I505 HydrophobicContact CD2-CD1 4.08Å; L497-V527 HydrophobicContact CB-CG2 4.28Å; L497-V527 HydrophobicContact CD1-CG2 3.8Å; L497-V527 HydrophobicContact CG-CG2 4.49Å
498	P	93.7	Very high	92.7	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.065	19%	0.19	C	C	.	.			trans	-55.8	143.9	-180	-26.5	33.6	0	0	0	113.3	H494 H500 M501 L502	H494-P498 VanDerWaalsContact O-CD 3.28Å; H494-P498 WeakPolarHBondContact O-CD 3.22Å; H494-P498 WeakPolarHBondContact O-CG 3.42Å; P498-H500 PolarHBondContact O-N 2.78Å; P498-M501 HydrophobicContact CB-CG 4.4Å; P498-M501 HydrophobicContact CG-CE 4.33Å; P498-M501 HydrophobicContact CG-CG 4.5Å; P498-M501 HydrophobicContact CG-SD 4.07Å; P498-M501 PolarHBondContact O-N 3.17Å; P498-L502 PolarHBondContact O-N 3.19Å
499	N	92.6	Very high	92.7	Very high	54 Å²	54	33.4 Å²	33.4	29%	0.289	17%	0.17	S	C	.	.	H	α-helix	trans	-50.9	-35.8	-177.4	-71.1	-5.3	0	0	0	113.8	L458 R482 K503	L458-N499 HydrophobicContact CD2-CB 4.18Å; R482-N499 PolarHBondContact NH1-OD1 3.22Å; N499-K503 WeakPolarHBondContact O-CG 3.37Å; N499-K503 PolarHBondContact O-N 3.32Å
500	H	90.5	Very high	92.7	Very high	113 Å²	113	32.7 Å²	32.7	52%	0.523	17%	0.167	S	C	.	.	H	α-helix	trans	-73.2	-39.7	179.6	70.1	-92.2	0	0	0	112.6	P498 K503 V504	P498-H500 PolarHBondContact O-N 2.78Å; H500-K503 PolarHBondContact O-N 3.47Å; H500-V504 WeakPolarHBondContact O-CG2 3.44Å; H500-V504 PolarHBondContact O-N 3.09Å; H500-V504 VanDerWaalsContact O-N 3.1Å
501	M	92.5	Very high	92.5	Very high	7 Å²	7	41.5 Å²	41.5	3%	0.034	20%	0.2	C	C	.	.	H	α-helix	trans	-67.8	-40.3	175.6	-61.3	-176.5	-173.5	0	0	110.9	L497 P498 K503 V504 I505 C520 N521 P522 P524	L497-M501 HydrophobicContact CD1-CB 3.61Å; P498-M501 HydrophobicContact CB-CG 4.4Å; P498-M501 HydrophobicContact CG-CE 4.33Å; P498-M501 HydrophobicContact CG-CG 4.5Å; P498-M501 HydrophobicContact CG-SD 4.07Å; P498-M501 PolarHBondContact O-N 3.17Å; M501-K503 VanDerWaalsContact C-N 3.31Å; M501-K503 PolarHBondContact O-N 2.79Å; M501-V504 PolarHBondContact O-N 3.09Å; M501-I505 VanDerWaalsContact O-CG1 3.28Å; M501-I505 WeakPolarHBondContact O-CG1 3.14Å; M501-I505 PolarHBondContact O-N 2.57Å; M501-C520 HydrophobicContact SD-CB 3.88Å; M501-N521 WeakPolarHBondContact CE-O 3.13Å; M501-P522 WeakPolarHBondContact CE-O 3.48Å; M501-P524 HydrophobicContact SD-CG 4.01Å
502	L	92.3	Very high	92.3	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.6	-43.7	174.9	-171.9	146.3	0	0	0	111.8	L458 L475 L478 R482 L497 P498 A506	L458-L502 HydrophobicContact CD1-CD2 4.17Å; L475-L502 HydrophobicContact CD1-CD2 3.48Å; L475-L502 VanDerWaalsContact CD1-CD2 3.48Å; L475-L502 HydrophobicContact CG-CD2 4.35Å; L478-L502 HydrophobicContact CB-CG 4.41Å; R482-L502 HydrophobicContact CB-CD1 4.46Å; L497-L502 HydrophobicContact CD2-CB 3.94Å; L497-L502 HydrophobicContact CD2-CD1 4.07Å; L497-L502 HydrophobicContact CD2-CG 4.14Å; L497-L502 HydrophobicContact CG-CB 4Å; P498-L502 PolarHBondContact O-N 3.19Å; L502-A506 WeakPolarHBondContact O-CB 3.28Å; L502-A506 PolarHBondContact O-N 2.94Å
503	K	90.4	Very high	92.1	Very high	28 Å²	28	48.3 Å²	48.3	12%	0.122	24%	0.235	C	C	.	.	H	α-helix	trans	-62.2	-49.1	173.9	-73	180	-178.1	-156.7	0	112.4	L458 T462 N499 H500 M501 I505 A506 E507	L458-K503 WeakPolarHBondContact O-CE 3.46Å; L458-K503 PolarHBondContact O-NZ 2.71Å; T462-K503 PolarHBondContact OG1-NZ 3.31Å; N499-K503 WeakPolarHBondContact O-CG 3.37Å; N499-K503 PolarHBondContact O-N 3.32Å; H500-K503 PolarHBondContact O-N 3.47Å; M501-K503 VanDerWaalsContact C-N 3.31Å; M501-K503 PolarHBondContact O-N 2.79Å; K503-I505 VanDerWaalsContact C-N 3.34Å; K503-I505 PolarHBondContact O-N 2.6Å; K503-A506 PolarHBondContact O-N 3.08Å; K503-E507 WeakPolarHBondContact O-CB 3.27Å; K503-E507 PolarHBondContact O-N 3Å
504	V	91.9	Very high	91.9	Very high	54 Å²	54	49 Å²	49	33%	0.327	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-39.7	-177.9	173.6	0	0	0	0	111.6	H500 M501 E507 V508 C519	H500-V504 WeakPolarHBondContact O-CG2 3.44Å; H500-V504 PolarHBondContact O-N 3.09Å; H500-V504 VanDerWaalsContact O-N 3.1Å; M501-V504 PolarHBondContact O-N 3.09Å; V504-E507 PolarHBondContact O-N 3.02Å; V504-V508 HydrophobicContact CG1-CG2 4.1Å; V504-V508 WeakPolarHBondContact O-CB 3.45Å; V504-V508 VanDerWaalsContact O-CG2 3.29Å; V504-V508 WeakPolarHBondContact O-CG2 3.43Å; V504-V508 PolarHBondContact O-N 3.43Å; V504-C519 HydrophobicContact CG1-CB 3.9Å
505	I	93	Very high	91.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.3	-45.8	175.2	-64.7	162.2	0	0	0	110.8	L478 L497 M501 K503 E507 L509 I516 C519 I538	L478-I505 HydrophobicContact CD1-CB 4.34Å; L478-I505 HydrophobicContact CD1-CG2 3.74Å; L497-I505 HydrophobicContact CD1-CD1 3.87Å; L497-I505 HydrophobicContact CD2-CD1 4.08Å; M501-I505 VanDerWaalsContact O-CG1 3.28Å; M501-I505 WeakPolarHBondContact O-CG1 3.14Å; M501-I505 PolarHBondContact O-N 2.57Å; K503-I505 VanDerWaalsContact C-N 3.34Å; K503-I505 PolarHBondContact O-N 2.6Å; I505-E507 VanDerWaalsContact C-N 3.34Å; I505-L509 PolarHBondContact O-N 3.1Å; I505-I516 HydrophobicContact CD1-CG2 4.08Å; I505-I516 HydrophobicContact CG1-CG2 4.4Å; I505-C519 HydrophobicContact CG1-CB 3.61Å; I505-I538 HydrophobicContact CG2-CD1 3.42Å; I505-I538 VanDerWaalsContact CG2-CD1 3.42Å; I505-I538 HydrophobicContact CG2-CG1 4.26Å
506	A	92.5	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66	-34.4	178	0	0	0	0	0	112.7	Q471 A474 L475 L478 L502 K503 L509	Q471-A506 VanDerWaalsContact CB-O 3.26Å; Q471-A506 WeakPolarHBondContact CB-O 3.37Å; Q471-A506 VanDerWaalsContact CG-O 3.29Å; Q471-A506 WeakPolarHBondContact CG-O 3.12Å; A474-A506 HydrophobicContact CB-CB 4.37Å; L475-A506 HydrophobicContact CB-CB 4.02Å; L475-A506 HydrophobicContact CD1-CB 3.74Å; L478-A506 HydrophobicContact CD1-CB 4.36Å; L502-A506 WeakPolarHBondContact O-CB 3.28Å; L502-A506 PolarHBondContact O-N 2.94Å; K503-A506 PolarHBondContact O-N 3.08Å; A506-L509 WeakPolarHBondContact O-CD2 3.28Å; A506-L509 WeakPolarHBondContact O-CG 3.37Å
507	E	90.8	Very high	91.8	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.402	23%	0.233	S	C	.	.	H	α-helix	trans	-71.7	-47.5	177.1	-171.5	168.9	-156.4	0	0	112	F467 Q471 K503 V504 I505	F467-E507 HydrophobicContact CE1-CB 3.98Å; Q471-E507 PolarHBondContact NE2-O 3.11Å; K503-E507 WeakPolarHBondContact O-CB 3.27Å; K503-E507 PolarHBondContact O-N 3Å; V504-E507 PolarHBondContact O-N 3.02Å; I505-E507 VanDerWaalsContact C-N 3.34Å
508	V	91.8	Very high	91.7	Very high	84 Å²	84	49.6 Å²	49.6	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-75.8	-30.5	-175.4	173.5	0	0	0	0	112.9	V504	V504-V508 HydrophobicContact CG1-CG2 4.1Å; V504-V508 WeakPolarHBondContact O-CB 3.45Å; V504-V508 VanDerWaalsContact O-CG2 3.29Å; V504-V508 WeakPolarHBondContact O-CG2 3.43Å; V504-V508 PolarHBondContact O-N 3.43Å
509	L	92.4	Very high	91.5	Very high	15 Å²	15	50 Å²	50	8%	0.079	27%	0.269	C	S	.	.			trans	45.2	60	-172.6	-63.4	179.4	0	0	0	112.7	R470 Q471 A474 I505 A506 R511 I538 A541 R542	R470-L509 HydrophobicContact CB-CD1 3.99Å; Q471-L509 HydrophobicContact CG-CD1 3.64Å; Q471-L509 HydrophobicContact CG-CG 3.97Å; A474-L509 HydrophobicContact CB-CD2 3.54Å; I505-L509 PolarHBondContact O-N 3.1Å; A506-L509 WeakPolarHBondContact O-CD2 3.28Å; A506-L509 WeakPolarHBondContact O-CG 3.37Å; L509-R511 PolarHBondContact O-N 3.3Å; L509-I538 HydrophobicContact CB-CG2 4.27Å; L509-I538 HydrophobicContact CD2-CG2 4.27Å; L509-A541 HydrophobicContact CD2-CB 4.32Å; L509-R542 HydrophobicContact CB-CG 4.09Å; L509-R542 HydrophobicContact CD1-CG 4.3Å; L509-R542 WeakPolarHBondContact O-CD 3.34Å; L509-R542 PolarHBondContact O-NH1 3.33Å
510	P	92.9	Very high	91.4	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.058	26%	0.257	C	S	.	.			trans	-57.2	133	-175.1	23.8	-34.5	0	0	0	112.4	E512 I516 I538	P510-E512 VanDerWaalsContact C-N 3.27Å; P510-E512 PolarHBondContact O-N 3.35Å; P510-I516 HydrophobicContact CG-CG1 3.72Å; P510-I538 HydrophobicContact CG-CD1 4.05Å; P510-I538 HydrophobicContact CG-CG2 4.49Å; P510-I538 VanDerWaalsContact O-CG2 3.25Å; P510-I538 WeakPolarHBondContact O-CG2 3.28Å
511	R	89.6	Confident	91.4	Very high	193 Å²	193	49.3 Å²	49.3	73%	0.728	27%	0.27	S	S	*	.	S	Bend	trans	-70.2	-23.7	-177.9	-65.4	-175.1	-176.5	-166.3	2.3	113.7	L509 H535	L509-R511 PolarHBondContact O-N 3.3Å; R511-H535 PolarHBondContact O-NE2 2.96Å
512	E	91.1	Very high	91.3	Very high	122 Å²	122	53.8 Å²	53.8	57%	0.57	30%	0.299	S	S	*	.	S	Bend	trans	-127.5	154.5	-174.5	-68.3	173.8	-157.5	0	0	110.1	P510 S514 G515	P510-E512 VanDerWaalsContact C-N 3.27Å; P510-E512 PolarHBondContact O-N 3.35Å; E512-S514 WeakPolarHBondContact CB-OG 3.49Å; E512-S514 PolarHBondContact O-N 2.79Å; E512-S514 PolarHBondContact OE2-OG 2.76Å; E512-G515 PolarHBondContact O-N 3.22Å
513	S	89.9	Confident	91.2	Very high	43 Å²	43	56.4 Å²	56.4	30%	0.301	31%	0.312	S	S	.	.	H	α-helix	trans	-54.6	-33.7	170.1	52	0	0	0	0	113	G515 I516 F517	S513-G515 VanDerWaalsContact C-N 3.26Å; S513-G515 PolarHBondContact O-N 3.03Å; S513-I516 WeakPolarHBondContact O-CB 3.35Å; S513-I516 PolarHBondContact O-N 2.78Å; S513-I516 VanDerWaalsContact O-N 3.14Å; S513-F517 PolarHBondContact O-N 2.7Å
514	S	91	Very high	91.2	Very high	60 Å²	60	55.6 Å²	55.6	42%	0.42	31%	0.31	S	S	.	.	H	α-helix	trans	-53.7	-39.9	172.2	64.4	0	0	0	0	112.7	E512 F517 A518	E512-S514 WeakPolarHBondContact CB-OG 3.49Å; E512-S514 PolarHBondContact O-N 2.79Å; E512-S514 PolarHBondContact OE2-OG 2.76Å; S514-F517 PolarHBondContact O-N 3.45Å; S514-A518 PolarHBondContact O-N 3.04Å
515	G	91.3	Very high	91.1	Very high	18 Å²	18	56.2 Å²	56.2	19%	0.186	32%	0.315	C	S	.	.	H	α-helix	trans	-73.8	-25.8	179.8	0	0	0	0	0	113.8	E512 S513 F517 A518 C519	E512-G515 PolarHBondContact O-N 3.22Å; S513-G515 VanDerWaalsContact C-N 3.26Å; S513-G515 PolarHBondContact O-N 3.03Å; G515-F517 VanDerWaalsContact C-N 3.33Å; G515-A518 PolarHBondContact O-N 3.28Å; G515-C519 PolarHBondContact O-N 3.49Å; G515-C519 PolarHBondContact O-SG 3.3Å
516	I	91.5	Very high	91.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-41.8	172.9	-54.5	175.3	0	0	0	109.6	I505 P510 S513 A518 C519 C520 V527 V531 L534 H535 I538	I505-I516 HydrophobicContact CD1-CG2 4.08Å; I505-I516 HydrophobicContact CG1-CG2 4.4Å; P510-I516 HydrophobicContact CG-CG1 3.72Å; S513-I516 WeakPolarHBondContact O-CB 3.35Å; S513-I516 PolarHBondContact O-N 2.78Å; S513-I516 VanDerWaalsContact O-N 3.14Å; I516-A518 VanDerWaalsContact C-N 3.35Å; I516-C519 WeakPolarHBondContact O-CB 3.17Å; I516-C519 PolarHBondContact O-N 3.18Å; I516-C520 PolarHBondContact O-SG 3.32Å; I516-V527 HydrophobicContact CG2-CG1 4.09Å; I516-V531 HydrophobicContact CD1-CG2 4.14Å; I516-L534 HydrophobicContact CD1-CB 4.08Å; I516-H535 HydrophobicContact CD1-CB 3.73Å; I516-I538 HydrophobicContact CD1-CD1 3.77Å; I516-I538 HydrophobicContact CG1-CD1 3.86Å
517	F	92.4	Very high	91	Very high	58 Å²	58	56.9 Å²	56.9	25%	0.254	32%	0.319	S	S	.	.	H	α-helix	trans	-65.4	-36.4	174.5	-59.6	-30.1	0	0	0	112.5	S513 S514 G515 C519 C520 I523 V527 R528 V531	S513-F517 PolarHBondContact O-N 2.7Å; S514-F517 PolarHBondContact O-N 3.45Å; G515-F517 VanDerWaalsContact C-N 3.33Å; F517-C519 PolarHBondContact O-N 3.12Å; F517-C520 PolarHBondContact O-N 3.09Å; F517-C520 VanDerWaalsContact O-N 3.11Å; F517-I523 HydrophobicContact CB-CD1 3.81Å; F517-I523 HydrophobicContact CB-CG1 4.31Å; F517-I523 HydrophobicContact CD1-CD1 4.43Å; F517-I523 HydrophobicContact CD1-CG2 3.85Å; F517-I523 HydrophobicContact CE1-CG2 4.33Å; F517-I523 HydrophobicContact CG-CD1 4.18Å; F517-V527 HydrophobicContact CD1-CG1 4.43Å; F517-V527 HydrophobicContact CE1-CG1 4.43Å; F517-R528 HydrophobicContact CE1-CB 4.36Å; F517-R528 HydrophobicContact CE1-CG 4.47Å; F517-R528 HydrophobicContact CZ-CG 4.24Å; F517-V531 HydrophobicContact CD1-CG2 4.47Å; F517-V531 HydrophobicContact CE1-CB 3.97Å; F517-V531 HydrophobicContact CE1-CG2 3.61Å; F517-V531 HydrophobicContact CE2-CG2 4.33Å; F517-V531 HydrophobicContact CZ-CB 3.83Å; F517-V531 HydrophobicContact CZ-CG1 4.12Å; F517-V531 HydrophobicContact CZ-CG2 3.53Å
518	A	91.5	Very high	91	Very high	88 Å²	88	59.4 Å²	59.4	73%	0.727	33%	0.325	S	S	*	.	H	α-helix	trans	-63.7	-25.6	174	0	0	0	0	0	113.5	S514 G515 I516 C520	S514-A518 PolarHBondContact O-N 3.04Å; G515-A518 PolarHBondContact O-N 3.28Å; I516-A518 VanDerWaalsContact C-N 3.35Å; A518-C520 VanDerWaalsContact C-N 3.32Å
519	C	90.4	Very high	90.8	Very high	19 Å²	19	59.4 Å²	59.4	13%	0.128	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.6	174.9	-61.5	0	0	0	0	113.9	V504 I505 G515 I516 F517	V504-C519 HydrophobicContact CG1-CB 3.9Å; I505-C519 HydrophobicContact CG1-CB 3.61Å; G515-C519 PolarHBondContact O-N 3.49Å; G515-C519 PolarHBondContact O-SG 3.3Å; I516-C519 WeakPolarHBondContact O-CB 3.17Å; I516-C519 PolarHBondContact O-N 3.18Å; F517-C519 PolarHBondContact O-N 3.12Å
520	C	90.2	Very high	90.8	Very high	4 Å²	4	59.4 Å²	59.4	3%	0.027	32%	0.317	C	S	.	.			trans	-121.4	104.9	-169.2	-61	0	0	0	0	112.1	M501 I516 F517 A518 P522 I523	M501-C520 HydrophobicContact SD-CB 3.88Å; I516-C520 PolarHBondContact O-SG 3.32Å; F517-C520 PolarHBondContact O-N 3.09Å; F517-C520 VanDerWaalsContact O-N 3.11Å; A518-C520 VanDerWaalsContact C-N 3.32Å; C520-P522 CarbonylContact C-O 3.53Å; C520-P522 CarbonylContact O-C 3.51Å; C520-P522 VanDerWaalsContact O-C 3.31Å; C520-I523 HydrophobicContact CB-CB 4.45Å; C520-I523 HydrophobicContact CB-CG1 4.3Å; C520-I523 WeakPolarHBondContact O-CG1 3.5Å; C520-I523 PolarHBondContact O-N 3.45Å
521	N	89.8	Confident	90.7	Very high	148 Å²	148	59.5 Å²	59.5	79%	0.791	32%	0.317	S	S	*	.	S	Bend	trans	-127.2	108.2	177.9	-174.4	14.8	0	0	0	111.8	M501	M501-N521 WeakPolarHBondContact CE-O 3.13Å
522	P	90.5	Very high	90.8	Very high	100 Å²	100	56.6 Å²	56.6	65%	0.649	31%	0.312	S	S	*	.	S	Bend	cis	-69.6	160.9	-7.8	31.9	-36.5	0	0	0	112.1	M501 C520 P524	M501-P522 WeakPolarHBondContact CE-O 3.48Å; C520-P522 CarbonylContact C-O 3.53Å; C520-P522 CarbonylContact O-C 3.51Å; C520-P522 VanDerWaalsContact O-C 3.31Å; P522-P524 VanDerWaalsContact O-CD 3.28Å; P522-P524 WeakPolarHBondContact O-CD 3.39Å
523	I	90	Very high	90.8	Very high	55 Å²	55	52.9 Å²	52.9	28%	0.282	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-72.5	118.6	176.6	-55.5	164.4	0	0	0	109.6	F517 C520 V527	F517-I523 HydrophobicContact CB-CD1 3.81Å; F517-I523 HydrophobicContact CB-CG1 4.31Å; F517-I523 HydrophobicContact CD1-CD1 4.43Å; F517-I523 HydrophobicContact CD1-CG2 3.85Å; F517-I523 HydrophobicContact CE1-CG2 4.33Å; F517-I523 HydrophobicContact CG-CD1 4.18Å; C520-I523 HydrophobicContact CB-CB 4.45Å; C520-I523 HydrophobicContact CB-CG1 4.3Å; C520-I523 WeakPolarHBondContact O-CG1 3.5Å; C520-I523 PolarHBondContact O-N 3.45Å; I523-V527 HydrophobicContact CG2-CG1 4.44Å
524	P	90.7	Very high	90.9	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.078	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-61.6	141	175.9	-22.4	33.4	0	0	0	111.8	V496 M501 P522 L526 V527 R528	V496-P524 WeakPolarHBondContact O-CB 3.38Å; M501-P524 HydrophobicContact SD-CG 4.01Å; P522-P524 VanDerWaalsContact O-CD 3.28Å; P522-P524 WeakPolarHBondContact O-CD 3.39Å; P524-L526 VanDerWaalsContact C-N 3.26Å; P524-L526 PolarHBondContact O-N 3.47Å; P524-V527 HydrophobicContact CB-CB 4.17Å; P524-V527 HydrophobicContact CB-CG2 3.85Å; P524-V527 HydrophobicContact CG-CB 4.36Å; P524-V527 HydrophobicContact CG-CG2 3.83Å; P524-V527 WeakPolarHBondContact O-CB 3.29Å; P524-V527 PolarHBondContact O-N 3.48Å; P524-V527 VanDerWaalsContact O-N 3.14Å; P524-R528 PolarHBondContact O-N 2.96Å
525	P	90.8	Very high	90.9	Very high	67 Å²	67	50.5 Å²	50.5	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-57.4	-37.9	-178.9	-27.2	36.5	0	0	0	113.5	R528 K529	P525-R528 WeakPolarHBondContact O-CB 3.47Å; P525-R528 PolarHBondContact O-N 3.45Å; P525-K529 PolarHBondContact O-N 3.01Å; P525-K529 VanDerWaalsContact O-N 3.14Å
526	L	91.2	Very high	90.9	Very high	12 Å²	12	52 Å²	52	6%	0.063	28%	0.275	C	S	.	.	H	α-helix	trans	-74	-30	179.8	-64.1	178.5	0	0	0	113.1	I485 E489 E491 Y495 V496 P524 R528 K529 Y530	I485-L526 HydrophobicContact CG2-CD1 4.24Å; E489-L526 HydrophobicContact CB-CD1 4.49Å; E489-L526 HydrophobicContact CG-CD2 4.28Å; E491-L526 HydrophobicContact CB-CD1 4.2Å; E491-L526 HydrophobicContact CG-CD1 4.07Å; Y495-L526 HydrophobicContact CD1-CD1 4.03Å; Y495-L526 HydrophobicContact CE1-CD1 4.13Å; Y495-L526 HydrophobicContact CE1-CG 4.33Å; V496-L526 HydrophobicContact CB-CD1 4.38Å; V496-L526 HydrophobicContact CG2-CD1 3.76Å; P524-L526 VanDerWaalsContact C-N 3.26Å; P524-L526 PolarHBondContact O-N 3.47Å; L526-R528 VanDerWaalsContact C-N 3.29Å; L526-R528 PolarHBondContact O-N 3.06Å; L526-K529 HydrophobicContact CD2-CD 4.07Å; L526-K529 PolarHBondContact O-N 3.46Å; L526-Y530 HydrophobicContact CB-CD2 4.49Å; L526-Y530 HydrophobicContact CD2-CE2 4.32Å; L526-Y530 WeakPolarHBondContact O-CD2 3.44Å; L526-Y530 PolarHBondContact O-N 2.96Å
527	V	91.2	Very high	90.9	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-36.2	170.2	170	0	0	0	0	111.2	L497 I516 F517 I523 P524 V531 L534	L497-V527 HydrophobicContact CB-CG2 4.28Å; L497-V527 HydrophobicContact CD1-CG2 3.8Å; L497-V527 HydrophobicContact CG-CG2 4.49Å; I516-V527 HydrophobicContact CG2-CG1 4.09Å; F517-V527 HydrophobicContact CD1-CG1 4.43Å; F517-V527 HydrophobicContact CE1-CG1 4.43Å; I523-V527 HydrophobicContact CG2-CG1 4.44Å; P524-V527 HydrophobicContact CB-CB 4.17Å; P524-V527 HydrophobicContact CB-CG2 3.85Å; P524-V527 HydrophobicContact CG-CB 4.36Å; P524-V527 HydrophobicContact CG-CG2 3.83Å; P524-V527 WeakPolarHBondContact O-CB 3.29Å; P524-V527 PolarHBondContact O-N 3.48Å; P524-V527 VanDerWaalsContact O-N 3.14Å; V527-V531 WeakPolarHBondContact O-CA 3.42Å; V527-V531 WeakPolarHBondContact O-CB 3.39Å; V527-V531 PolarHBondContact O-N 3.44Å; V527-L534 HydrophobicContact CB-CD1 4.26Å; V527-L534 HydrophobicContact CG1-CD1 3.95Å; V527-L534 HydrophobicContact CG2-CD1 4.25Å
528	R	90.1	Very high	90.9	Very high	139 Å²	139	50.3 Å²	50.3	53%	0.525	27%	0.268	S	S	.	.	H	α-helix	trans	-67.4	-41.5	173.5	-169.6	179.3	-61.7	120.4	8.4	112.1	F517 P524 P525 L526	F517-R528 HydrophobicContact CE1-CB 4.36Å; F517-R528 HydrophobicContact CE1-CG 4.47Å; F517-R528 HydrophobicContact CZ-CG 4.24Å; P524-R528 PolarHBondContact O-N 2.96Å; P525-R528 WeakPolarHBondContact O-CB 3.47Å; P525-R528 PolarHBondContact O-N 3.45Å; L526-R528 VanDerWaalsContact C-N 3.29Å; L526-R528 PolarHBondContact O-N 3.06Å
529	K	89.4	Confident	91	Very high	83 Å²	83	48.5 Å²	48.5	36%	0.361	25%	0.248	S	C	.	.	H	α-helix	trans	-67.8	-40.1	179.7	179.5	175.9	167	-178	0	113.2	E489 P525 L526	E489-K529 IonicContact OE1-NZ 3.71Å; E489-K529 PolarHBondContact OE1-NZ 2.87Å; E489-K529 IonicContact OE2-NZ 3.78Å; E489-K529 PolarHBondContact OE2-NZ 3.24Å; P525-K529 PolarHBondContact O-N 3.01Å; P525-K529 VanDerWaalsContact O-N 3.14Å; L526-K529 HydrophobicContact CD2-CD 4.07Å; L526-K529 PolarHBondContact O-N 3.46Å
530	Y	91.3	Very high	91	Very high	16 Å²	16	49.5 Å²	49.5	6%	0.063	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	26.8	-176.4	-64.6	-66.7	0	0	0	113.3	I485 R488 E489 L526 H532 D533 L534	I485-Y530 HydrophobicContact CD1-CD2 3.77Å; I485-Y530 HydrophobicContact CD1-CG 3.79Å; I485-Y530 HydrophobicContact CG1-CD2 4.03Å; I485-Y530 HydrophobicContact CG1-CE2 4.29Å; I485-Y530 HydrophobicContact CG1-CG 4.28Å; I485-Y530 HydrophobicContact CG2-CD2 3.8Å; I485-Y530 HydrophobicContact CG2-CE2 3.77Å; R488-Y530 VanDerWaalsContact NH2-CZ 3.34Å; E489-Y530 HydrophobicContact CG-CE2 4.18Å; E489-Y530 PolarHBondContact OE1-OH 2.9Å; E489-Y530 VanDerWaalsContact OE1-OH 3.09Å; L526-Y530 HydrophobicContact CB-CD2 4.49Å; L526-Y530 HydrophobicContact CD2-CE2 4.32Å; L526-Y530 WeakPolarHBondContact O-CD2 3.44Å; L526-Y530 PolarHBondContact O-N 2.96Å; Y530-H532 PolarHBondContact O-N 3.4Å; Y530-D533 VanDerWaalsContact CD1-OD2 3.31Å; Y530-D533 WeakPolarHBondContact CD1-OD2 3.49Å; Y530-D533 PolarHBondContact O-N 2.97Å; Y530-L534 WeakPolarHBondContact O-CG 3.43Å; Y530-L534 PolarHBondContact O-N 3.46Å; Y530-L534 VanDerWaalsContact O-N 3.13Å
531	V	91.9	Very high	91	Very high	11 Å²	11	49.3 Å²	49.3	7%	0.067	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-31.9	-176.4	71.1	0	0	0	0	113	I516 F517 V527 H535	I516-V531 HydrophobicContact CD1-CG2 4.14Å; F517-V531 HydrophobicContact CD1-CG2 4.47Å; F517-V531 HydrophobicContact CE1-CB 3.97Å; F517-V531 HydrophobicContact CE1-CG2 3.61Å; F517-V531 HydrophobicContact CE2-CG2 4.33Å; F517-V531 HydrophobicContact CZ-CB 3.83Å; F517-V531 HydrophobicContact CZ-CG1 4.12Å; F517-V531 HydrophobicContact CZ-CG2 3.53Å; V527-V531 WeakPolarHBondContact O-CA 3.42Å; V527-V531 WeakPolarHBondContact O-CB 3.39Å; V527-V531 PolarHBondContact O-N 3.44Å; V531-H535 WeakPolarHBondContact O-CB 3.4Å; V531-H535 PolarHBondContact O-N 3.14Å
532	H	90.8	Very high	91	Very high	131 Å²	131	45.9 Å²	45.9	61%	0.606	23%	0.227	S	C	*	.	H	α-helix	trans	-69.2	-43.3	178.6	-64.6	-77.6	0	0	0	112	Y530 H535 K536	Y530-H532 PolarHBondContact O-N 3.4Å; H532-H535 PolarHBondContact O-N 3.05Å; H532-K536 WeakPolarHBondContact O-CB 3.4Å; H532-K536 PolarHBondContact O-N 3.3Å
533	D	90.9	Very high	90.9	Very high	44 Å²	44	46.6 Å²	46.6	24%	0.235	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-43.6	177.8	-52.7	-8.9	0	0	0	110.6	L481 Y530 I537	L481-D533 HydrophobicContact CD1-CB 4.45Å; L481-D533 HydrophobicContact CD2-CB 3.77Å; Y530-D533 VanDerWaalsContact CD1-OD2 3.31Å; Y530-D533 WeakPolarHBondContact CD1-OD2 3.49Å; Y530-D533 PolarHBondContact O-N 2.97Å; D533-I537 PolarHBondContact O-N 3.31Å
534	L	91.5	Very high	90.7	Very high	8 Å²	8	46 Å²	46	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-42.3	174.3	-66.5	166.2	0	0	0	111.8	L478 L481 I516 V527 Y530 I538	L478-L534 HydrophobicContact CD2-CD2 3.51Å; L481-L534 HydrophobicContact CD2-CD2 3.9Å; L481-L534 HydrophobicContact CD2-CG 4.21Å; I516-L534 HydrophobicContact CD1-CB 4.08Å; V527-L534 HydrophobicContact CB-CD1 4.26Å; V527-L534 HydrophobicContact CG1-CD1 3.95Å; V527-L534 HydrophobicContact CG2-CD1 4.25Å; Y530-L534 WeakPolarHBondContact O-CG 3.43Å; Y530-L534 PolarHBondContact O-N 3.46Å; Y530-L534 VanDerWaalsContact O-N 3.13Å; L534-I538 VanDerWaalsContact O-CD1 3.3Å; L534-I538 WeakPolarHBondContact O-CD1 3.44Å; L534-I538 VanDerWaalsContact O-CG1 3.28Å; L534-I538 WeakPolarHBondContact O-CG1 3.12Å; L534-I538 PolarHBondContact O-N 3.14Å
535	H	92.3	Very high	89.9	Confident	45 Å²	45	49.4 Å²	49.4	21%	0.208	24%	0.244	C	C	.	.	H	α-helix	trans	-69.2	-39.9	179.6	-177.1	-130.9	0	0	0	112.4	R511 I516 V531 H532 I537 I538 V539	R511-H535 PolarHBondContact O-NE2 2.96Å; I516-H535 HydrophobicContact CD1-CB 3.73Å; V531-H535 WeakPolarHBondContact O-CB 3.4Å; V531-H535 PolarHBondContact O-N 3.14Å; H532-H535 PolarHBondContact O-N 3.05Å; H535-I537 PolarHBondContact O-N 3.05Å; H535-I538 PolarHBondContact O-N 3.03Å; H535-I538 VanDerWaalsContact O-N 3.13Å; H535-V539 WeakPolarHBondContact O-CG2 3.29Å; H535-V539 PolarHBondContact O-N 3.31Å
536	K	90.6	Very high	88.8	Confident	50 Å²	50	52.3 Å²	52.3	22%	0.217	26%	0.255	C	S	.	.	H	α-helix	trans	-53.9	-52.3	173.7	-176	-171.7	-177.5	-171.1	0	111.1	D84 H532 I538 V539 D540	D84-K536 PolarHBondContact O-NZ 3Å; D84-K536 IonicContact OD1-NZ 2.88Å; D84-K536 PolarHBondContact OD1-NZ 3.29Å; H532-K536 WeakPolarHBondContact O-CB 3.4Å; H532-K536 PolarHBondContact O-N 3.3Å; K536-I538 VanDerWaalsContact C-N 3.25Å; K536-I538 PolarHBondContact O-N 3.47Å; K536-V539 PolarHBondContact O-N 3.17Å; K536-V539 VanDerWaalsContact O-N 3.08Å; K536-D540 PolarHBondContact O-N 3.01Å
537	I	92.1	Very high	87.2	Confident	23 Å²	23	56.1 Å²	56.1	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-55.9	-40.4	177.3	-70.7	170	0	0	0	111.9	N477 L478 L481 D533 H535 A541	N477-I537 HydrophobicContact CB-CD1 4.19Å; N477-I537 HydrophobicContact CB-CG1 4.3Å; N477-I537 HydrophobicContact CB-CG2 3.5Å; L478-I537 HydrophobicContact CD2-CB 4.49Å; L478-I537 HydrophobicContact CD2-CG2 4.16Å; L478-I537 HydrophobicContact CG-CG2 4.07Å; L481-I537 HydrophobicContact CB-CD1 3.8Å; L481-I537 HydrophobicContact CD2-CD1 3.5Å; L481-I537 HydrophobicContact CG-CD1 4.23Å; D533-I537 PolarHBondContact O-N 3.31Å; H535-I537 PolarHBondContact O-N 3.05Å; I537-A541 WeakPolarHBondContact O-CB 3.45Å; I537-A541 PolarHBondContact O-N 3.06Å
538	I	92.8	Very high	85.2	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-73.5	-34.4	-179.9	-62.2	160.3	0	0	0	111.3	I505 L509 P510 I516 L534 H535 K536 R542	I505-I538 HydrophobicContact CG2-CD1 3.42Å; I505-I538 VanDerWaalsContact CG2-CD1 3.42Å; I505-I538 HydrophobicContact CG2-CG1 4.26Å; L509-I538 HydrophobicContact CB-CG2 4.27Å; L509-I538 HydrophobicContact CD2-CG2 4.27Å; P510-I538 HydrophobicContact CG-CD1 4.05Å; P510-I538 HydrophobicContact CG-CG2 4.49Å; P510-I538 VanDerWaalsContact O-CG2 3.25Å; P510-I538 WeakPolarHBondContact O-CG2 3.28Å; I516-I538 HydrophobicContact CD1-CD1 3.77Å; I516-I538 HydrophobicContact CG1-CD1 3.86Å; L534-I538 VanDerWaalsContact O-CD1 3.3Å; L534-I538 WeakPolarHBondContact O-CD1 3.44Å; L534-I538 VanDerWaalsContact O-CG1 3.28Å; L534-I538 WeakPolarHBondContact O-CG1 3.12Å; L534-I538 PolarHBondContact O-N 3.14Å; H535-I538 PolarHBondContact O-N 3.03Å; H535-I538 VanDerWaalsContact O-N 3.13Å; K536-I538 VanDerWaalsContact C-N 3.25Å; K536-I538 PolarHBondContact O-N 3.47Å; I538-R542 WeakPolarHBondContact O-CB 3.35Å; I538-R542 WeakPolarHBondContact O-CG 3.26Å; I538-R542 PolarHBondContact O-N 3.45Å
539	V	92.1	Very high	83.4	Confident	49 Å²	49	59.4 Å²	59.4	30%	0.297	31%	0.306	S	S	.	.	H	α-helix	trans	-64.6	-48.2	171.7	169.7	0	0	0	0	110.4	H535 K536 A541 R542 N543	H535-V539 WeakPolarHBondContact O-CG2 3.29Å; H535-V539 PolarHBondContact O-N 3.31Å; K536-V539 PolarHBondContact O-N 3.17Å; K536-V539 VanDerWaalsContact O-N 3.08Å; V539-A541 PolarHBondContact O-N 3.24Å; V539-R542 PolarHBondContact O-N 3.26Å; V539-R542 VanDerWaalsContact O-N 3.08Å; V539-N543 PolarHBondContact O-N 3.03Å; V539-N543 PolarHBondContact O-ND2 3.13Å
540	D	91.1	Very high	80.8	Confident	40 Å²	40	61.6 Å²	61.6	21%	0.214	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-45.8	177.5	-65.3	-26.5	0	0	0	111.1	Y473 K536 R542 N543 L544	Y473-D540 HydrophobicContact CE1-CB 4.34Å; K536-D540 PolarHBondContact O-N 3.01Å; D540-R542 VanDerWaalsContact C-N 3.26Å; D540-R542 PolarHBondContact O-N 3.13Å; D540-N543 PolarHBondContact O-N 3.15Å; D540-L544 PolarHBondContact O-N 3.3Å
541	A	90.6	Very high	78.2	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-57.4	-35.9	173.7	0	0	0	0	0	113.5	R470 Y473 A474 L509 I537 V539	R470-A541 VanDerWaalsContact CB-O 3.26Å; R470-A541 WeakPolarHBondContact CB-O 3.21Å; R470-A541 WeakPolarHBondContact CG-O 3.29Å; Y473-A541 HydrophobicContact CD1-CB 3.69Å; Y473-A541 HydrophobicContact CE1-CB 4.17Å; A474-A541 HydrophobicContact CB-CB 3.81Å; L509-A541 HydrophobicContact CD2-CB 4.32Å; I537-A541 WeakPolarHBondContact O-CB 3.45Å; I537-A541 PolarHBondContact O-N 3.06Å; V539-A541 PolarHBondContact O-N 3.24Å
542	R	89.7	Confident	75.3	Confident	76 Å²	76	72.4 Å²	72.4	29%	0.287	39%	0.392	S	S	.	.	H	α-helix	trans	-78.3	-22.4	177.4	-71.7	175.9	70.4	75.3	27	113.1	R470 L509 I538 V539 D540	R470-R542 PolarHBondContact NE-O 2.94Å; R470-R542 PolarHBondContact NH2-O 3.04Å; R470-R542 VanDerWaalsContact NH2-O 3.12Å; L509-R542 HydrophobicContact CB-CG 4.09Å; L509-R542 HydrophobicContact CD1-CG 4.3Å; L509-R542 WeakPolarHBondContact O-CD 3.34Å; L509-R542 PolarHBondContact O-NH1 3.33Å; I538-R542 WeakPolarHBondContact O-CB 3.35Å; I538-R542 WeakPolarHBondContact O-CG 3.26Å; I538-R542 PolarHBondContact O-N 3.45Å; V539-R542 PolarHBondContact O-N 3.26Å; V539-R542 VanDerWaalsContact O-N 3.08Å; D540-R542 VanDerWaalsContact C-N 3.26Å; D540-R542 PolarHBondContact O-N 3.13Å
543	N	88.4	Confident	72.3	Confident	115 Å²	115	71.6 Å²	71.6	62%	0.615	40%	0.4	S	S	*	.	H	α-helix	trans	-83.2	-22.9	178.9	-69.2	-22.7	0	0	0	113.3	V539 D540	V539-N543 PolarHBondContact O-N 3.03Å; V539-N543 PolarHBondContact O-ND2 3.13Å; D540-N543 PolarHBondContact O-N 3.15Å
544	L	84.4	Confident	69.3	Low	42 Å²	42	78.3 Å²	78.3	22%	0.22	43%	0.431	C	S	.	.	S	Bend	trans	-51.5	145	173.9	-72	177.3	0	0	0	112.3	R470 Y473 D540	R470-L544 HydrophobicContact CG-CB 4.34Å; R470-L544 PolarHBondContact NE-O 2.89Å; R470-L544 PolarHBondContact NH2-O 3.38Å; Y473-L544 HydrophobicContact CD1-CD1 3.64Å; Y473-L544 HydrophobicContact CD2-CD1 3.78Å; Y473-L544 HydrophobicContact CE1-CD1 4.18Å; Y473-L544 HydrophobicContact CE2-CD1 4.28Å; Y473-L544 HydrophobicContact CG-CD1 3.41Å; Y473-L544 VanDerWaalsContact CG-CD1 3.41Å; D540-L544 PolarHBondContact O-N 3.3Å
545	P	75.5	Confident	66.3	Low	84 Å²	84	86.1 Å²	86.1	55%	0.545	47%	0.467	S	S	.	.			trans	-59.3	149.1	176.6	26.3	-34.6	0	0	0	111.5	T547	P545-T547 PolarHBondContact O-N 2.92Å; P545-T547 VanDerWaalsContact O-N 3.12Å
546	I	66.3	Low	63.2	Low	129 Å²	129	89 Å²	89	66%	0.662	49%	0.49	S	S	*	.			trans	-80.8	92.8	169.3	-54.2	178.2	0	0	0	106.9	R470	R470-I546 VanDerWaalsContact CZ-CG1 3.46Å
547	T	58.5	Low	60.2	Low	91 Å²	91	97.5 Å²	97.5	56%	0.558	52%	0.52	S	S	*	.			trans	-113.4	120.7	166.2	-52.3	0	0	0	0	107	P545 L549	P545-T547 PolarHBondContact O-N 2.92Å; P545-T547 VanDerWaalsContact O-N 3.12Å; T547-L549 PolarHBondContact O-N 3.35Å
548	D	48.3	Very low	57.1	Low	141 Å²	141	103.8 Å²	103.8	75%	0.754	55%	0.553	S	S	*	*			trans	-67.5	130.9	175.9	-63.4	-48.3	0	0	0	109.3
549	L	52.1	Low	54	Low	69 Å²	69	108.9 Å²	108.9	36%	0.361	59%	0.589	S	S	.	*			trans	-70.1	137.1	170.6	-94.6	77.5	0	0	0	108.8	H469 T547 L551	H469-L549 HydrophobicContact CB-CD1 3.44Å; H469-L549 VanDerWaalsContact CB-CD1 3.44Å; T547-L549 PolarHBondContact O-N 3.35Å; L549-L551 HydrophobicContact CB-CB 4.28Å; L549-L551 HydrophobicContact CB-CD1 4.42Å; L549-L551 HydrophobicContact CB-CG 4.22Å; L549-L551 HydrophobicContact CD2-CD1 3.6Å; L549-L551 HydrophobicContact CD2-CG 4.19Å; L549-L551 PolarHBondContact O-N 3.32Å
550	P	35.3	Very low	51	Low	129 Å²	129	112.1 Å²	112.1	84%	0.838	61%	0.609	S	S	*	*	S	Bend	trans	-73.6	66.3	167.3	32.7	-35.2	0	0	0	110.1
551	L	37.1	Very low	48	Very low	132 Å²	132	118.5 Å²	118.5	69%	0.691	64%	0.637	S	S	*	*			trans	-129	38.8	179.1	-72.2	-174.7	0	0	0	112.4	L549	L549-L551 HydrophobicContact CB-CB 4.28Å; L549-L551 HydrophobicContact CB-CD1 4.42Å; L549-L551 HydrophobicContact CB-CG 4.22Å; L549-L551 HydrophobicContact CD2-CD1 3.6Å; L549-L551 HydrophobicContact CD2-CG 4.19Å; L549-L551 PolarHBondContact O-N 3.32Å
552	T	31.1	Very low	45.1	Very low	123 Å²	123	124.3 Å²	124.3	76%	0.755	68%	0.675	S	S	*	*	S	Bend	trans	-132.5	123.3	158.3	29.5	0	0	0	0	110.2
553	S	27.5	Very low	42.2	Very low	113 Å²	113	128 Å²	128	79%	0.79	70%	0.701	S	S	*	*	S	Bend	trans	46.7	91.6	169.1	58.7	0	0	0	0	117.3
554	E	28.6	Very low	39.3	Very low	186 Å²	186	128 Å²	128	87%	0.869	71%	0.71	S	S	*	*				-153.5	102.5	105.4	-77.9	-132.4	140.7	0	0	109.8
555	E	28.5	Very low	36.8	Very low	172 Å²	172	134.7 Å²	134.7	80%	0.804	74%	0.74	S	S	*	*			trans	-69.3	132.3	145.6	-75.6	-174.5	145.3	0	0	106.7	R557	E555-R557 PolarHBondContact O-N 3.37Å
556	P	27.1	Very low	34.6	Very low	106 Å²	106	139.5 Å²	139.5	69%	0.688	76%	0.755	S	S	*	*			trans	-65.6	99.2	175.3	27	-33.3	0	0	0	109	L558	P556-L558 PolarHBondContact O-N 3.14Å
557	R	26.6	Very low	32.9	Very low	228 Å²	228	142.7 Å²	142.7	86%	0.86	77%	0.767	S	S	*	*			trans	-63.4	95.3	175.7	-73.7	-175.8	175.2	-176.8	0.3	109.4	E555 S559	E555-R557 PolarHBondContact O-N 3.37Å; R557-S559 VanDerWaalsContact C-N 3.27Å; R557-S559 WeakPolarHBondContact O-CB 3.43Å; R557-S559 PolarHBondContact O-N 3.49Å; R557-S559 PolarHBondContact O-OG 3.45Å
558	L	27.3	Very low	31.4	Very low	155 Å²	155	146.6 Å²	146.6	81%	0.812	78%	0.779	S	S	*	*			trans	-57.2	93.5	164	-89.3	160.7	0	0	0	108.4	P556 T560	P556-L558 PolarHBondContact O-N 3.14Å; L558-T560 VanDerWaalsContact C-N 3.27Å; L558-T560 PolarHBondContact O-N 2.98Å
559	S	27.2	Very low	30.6	Very low	106 Å²	106	146.7 Å²	146.7	74%	0.741	78%	0.779	S	S	*	*			trans	-88.8	62.5	-164	37.4	0	0	0	0	111	R557 Q561	R557-S559 VanDerWaalsContact C-N 3.27Å; R557-S559 WeakPolarHBondContact O-CB 3.43Å; R557-S559 PolarHBondContact O-N 3.49Å; R557-S559 PolarHBondContact O-OG 3.45Å; S559-Q561 VanDerWaalsContact C-N 3.33Å; S559-Q561 PolarHBondContact O-N 3.2Å
560	T	29.7	Very low	29.6	Very low	118 Å²	118	149 Å²	149	72%	0.724	79%	0.792	S	S	*	*			trans	-61.7	96	164.3	42.8	0	0	0	0	109.3	L558	L558-T560 VanDerWaalsContact C-N 3.27Å; L558-T560 PolarHBondContact O-N 2.98Å
561	Q	28.6	Very low	29.5	Very low	173 Å²	173	150.6 Å²	150.6	81%	0.808	79%	0.786	S	S	*	*			trans	-60.4	130.6	173.5	-65.7	-169.8	7.3	0	0	109.5	S559 N563	S559-Q561 VanDerWaalsContact C-N 3.33Å; S559-Q561 PolarHBondContact O-N 3.2Å; Q561-N563 VanDerWaalsContact C-N 3.31Å; Q561-N563 PolarHBondContact O-N 3.44Å
562	P	29.1	Very low	29.2	Very low	123 Å²	123	155.5 Å²	155.5	80%	0.799	80%	0.795	S	S	*	*			trans	-74.1	87.7	173.5	30.5	-33.2	0	0	0	109.1	S564	P562-S564 PolarHBondContact O-N 3.45Å
563	N	29.4	Very low	29.1	Very low	154 Å²	154	155.1 Å²	155.1	82%	0.824	80%	0.797	S	S	*	*			trans	-66.4	106.4	-180	-160.9	9.4	0	0	0	109.6	Q561 Q565	Q561-N563 VanDerWaalsContact C-N 3.31Å; Q561-N563 PolarHBondContact O-N 3.44Å; N563-Q565 PolarHBondContact O-N 3.46Å; N563-Q565 VanDerWaalsContact O-N 3.16Å
564	S	26.2	Very low	29.3	Very low	114 Å²	114	155.3 Å²	155.3	80%	0.797	80%	0.799	S	S	*	*			trans	-87.5	87	-164.4	40.3	0	0	0	0	112.6	P562	P562-S564 PolarHBondContact O-N 3.45Å
565	Q	32.2	Very low	29.4	Very low	183 Å²	183	152.6 Å²	152.6	86%	0.855	80%	0.795	S	S	*	*			trans	-115.5	138.2	159.2	-70.7	-166.4	-13.3	0	0	111.3	N563	N563-Q565 PolarHBondContact O-N 3.46Å; N563-Q565 VanDerWaalsContact O-N 3.16Å
566	Q	29.1	Very low	29.4	Very low	185 Å²	185	151.8 Å²	151.8	86%	0.864	80%	0.796	S	S	*	*			trans	-83.1	142.6	-172.9	-57.5	139.2	-39.6	0	0	110.5
567	Q	31.8	Very low	29.6	Very low	195 Å²	195	154.2 Å²	154.2	91%	0.911	80%	0.802	S	S	*	*				-162	150.7	127.2	-108.9	160	33	0	0	111.5
568	E	27.5	Very low	29.7	Very low	173 Å²	173	148.2 Å²	148.2	81%	0.808	79%	0.792	S	S	*	*			trans	-83.1	150.6	-175.6	-60.2	146.1	116.2	0	0	111
569	N	31.6	Very low	29.6	Very low	143 Å²	143	148.7 Å²	148.7	77%	0.765	80%	0.795	S	S	*	*				171.9	97.5	118.6	-94.4	-73.2	0	0	0	112.7
570	D	30.4	Very low	29.7	Very low	118 Å²	118	149.6 Å²	149.6	63%	0.631	80%	0.797	S	S	*	*				41.5	94.8	117.9	-147	45.2	0	0	0	119.4
571	K	33.8	Very low	29.5	Very low	162 Å²	162	152.5 Å²	152.5	70%	0.704	80%	0.802	S	S	*	*				170.5	147.7	109.3	-86.7	153.9	-160.6	79	0	116.5
572	R	30.9	Very low	29.4	Very low	235 Å²	235	151.5 Å²	151.5	89%	0.887	80%	0.802	S	S	*	*			trans	77.7	122.7	154.4	-77.9	179.9	173.4	170.8	-1	121.8
573	S	28.7	Very low	29.2	Very low	115 Å²	115	152.3 Å²	152.3	80%	0.804	80%	0.799	S	S	*	*			trans	60.8	95	143.9	55.7	0	0	0	0	120.5
574	S	32	Very low	29	Very low	117 Å²	117	156.9 Å²	156.9	82%	0.818	81%	0.805	S	S	*	*			trans	-113.7	145.8	142.8	55.4	0	0	0	0	109.7
575	V	30.4	Very low	28.9	Very low	130 Å²	130	161.4 Å²	161.4	79%	0.788	81%	0.806	S	S	*	*			trans	-109	125.8	-177.4	176.2	0	0	0	0	109.5
576	N	28.8	Very low	28.6	Very low	155 Å²	155	156.5 Å²	156.5	83%	0.829	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.1	122.7	173.1	-74.2	-42.3	0	0	0	110.7
577	I	30	Very low	28.3	Very low	157 Å²	157	153.4 Å²	153.4	81%	0.805	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-95.2	119.7	167.8	-59.2	176.3	0	0	0	108.1
578	P	28.8	Very low	28.1	Very low	102 Å²	102	148 Å²	148	66%	0.662	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-80.8	142.1	175.6	32.6	-33.2	0	0	0	111.4	T580	P578-T580 PolarHBondContact O-N 2.98Å
579	N	25.3	Very low	28.3	Very low	164 Å²	164	146.8 Å²	146.8	88%	0.877	76%	0.762	S	S	*	*			trans	-67.9	111.7	-178.3	-135.5	-6.6	0	0	0	111.2	Q581	N579-Q581 PolarHBondContact O-N 3.23Å
580	T	28.7	Very low	28	Very low	126 Å²	126	144.1 Å²	144.1	77%	0.773	75%	0.747	S	S	*	*			trans	-94.9	88.1	177.9	51.2	0	0	0	0	111.7	P578 N582	P578-T580 PolarHBondContact O-N 2.98Å; T580-N582 PolarHBondContact O-N 3.2Å
581	Q	26.8	Very low	27.9	Very low	179 Å²	179	146.6 Å²	146.6	84%	0.836	75%	0.749	S	S	*	*			trans	-69.4	107.5	159.2	-71	178.7	-23.2	0	0	109.2	N579	N579-Q581 PolarHBondContact O-N 3.23Å
582	N	26.1	Very low	27.5	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	75%	0.75	S	S	*	*			trans	-174.1	157.1	153.2	-102.3	-39	0	0	0	112.3	T580	T580-N582 PolarHBondContact O-N 3.2Å
583	L	25.5	Very low	27.3	Very low	141 Å²	141	141.5 Å²	141.5	74%	0.738	74%	0.741	S	S	*	*			trans	60.9	52	160.7	-63.4	162	0	0	0	117.9	Y585	L583-Y585 HydrophobicContact CD2-CD2 4.17Å; L583-Y585 HydrophobicContact CD2-CE2 3.64Å; L583-Y585 PolarHBondContact O-N 2.87Å
584	R	24.2	Very low	27.1	Very low	249 Å²	249	142.7 Å²	142.7	94%	0.94	73%	0.734	S	S	*	*			trans	-86.4	92.7	149.3	-83.3	-172.6	175.2	170.7	-1.7	110	A586	R584-A586 PolarHBondContact O-N 2.92Å
585	Y	24.6	Very low	26.7	Very low	209 Å²	209	144.1 Å²	144.1	82%	0.82	73%	0.731	S	S	*	*			trans	-74.9	99.9	156	-80.4	-86.1	0	0	0	107.5	L583 L587	L583-Y585 HydrophobicContact CD2-CD2 4.17Å; L583-Y585 HydrophobicContact CD2-CE2 3.64Å; L583-Y585 PolarHBondContact O-N 2.87Å; Y585-L587 PolarHBondContact O-N 3.06Å
586	A	25.3	Very low	26.4	Very low	80 Å²	80	145 Å²	145	66%	0.661	73%	0.726	S	S	*	*			trans	-79	110.7	174.9	0	0	0	0	0	109.4	R584	R584-A586 PolarHBondContact O-N 2.92Å
587	L	23.9	Very low	26.3	Very low	120 Å²	120	144.3 Å²	144.3	63%	0.628	72%	0.722	S	S	*	*			trans	-58	150.2	153.2	-70	165.8	0	0	0	108.4	Y585 H589	Y585-L587 PolarHBondContact O-N 3.06Å; L587-H589 PolarHBondContact O-N 2.89Å; L587-H589 VanDerWaalsContact O-N 3.17Å
588	P	27.8	Very low	25.9	Very low	83 Å²	83	144 Å²	144	54%	0.539	72%	0.721	S	S	.	*			trans	-53.3	123.7	165.9	-22	33.8	0	0	0	108.8	L390 D590	L390-P588 HydrophobicContact CD2-CG 4.49Å; P588-D590 PolarHBondContact O-N 2.85Å; P588-D590 VanDerWaalsContact O-N 3.1Å
589	H	30.4	Very low	25.8	Very low	147 Å²	147	145.3 Å²	145.3	68%	0.681	73%	0.727	S	S	*	*			trans	-69.4	109.9	-171.8	-83.6	-97	0	0	0	111.6	L587 Y591	L587-H589 PolarHBondContact O-N 2.89Å; L587-H589 VanDerWaalsContact O-N 3.17Å; H589-Y591 PolarHBondContact O-N 3.01Å
590	D	25.9	Very low	25.7	Very low	87 Å²	87	144 Å²	144	47%	0.465	72%	0.72	S	S	.	*			trans	-57.2	128.1	153.4	-78.6	-48	0	0	0	109.5	P588 S592	P588-D590 PolarHBondContact O-N 2.85Å; P588-D590 VanDerWaalsContact O-N 3.1Å; D590-S592 PolarHBondContact O-N 3.3Å
591	Y	27.5	Very low	25.6	Very low	169 Å²	169	142.6 Å²	142.6	66%	0.663	72%	0.716	S	S	*	*	S	Bend	trans	-80.6	55.7	167.7	-84.9	-95.6	0	0	0	110.2	H589	H589-Y591 PolarHBondContact O-N 3.01Å
592	S	26.2	Very low	25.6	Very low	105 Å²	105	139.7 Å²	139.7	73%	0.734	71%	0.712	S	S	*	*			trans	-117.4	12.5	178.2	-52.1	0	0	0	0	112.1	D590	D590-S592 PolarHBondContact O-N 3.3Å
593	R	26	Very low	25.8	Very low	186 Å²	186	139.4 Å²	139.4	70%	0.702	71%	0.711	S	S	*	*	S	Bend	trans	-98.1	130.8	177.7	-81.2	-177.8	171	-105.7	-3.8	111.6
594	E	24.3	Very low	26.1	Very low	139 Å²	139	144.1 Å²	144.1	65%	0.65	72%	0.72	S	S	*	*			trans	63.5	52.3	148	-61.3	154.2	-124.1	0	0	115.5
595	I	24.8	Very low	26.3	Very low	147 Å²	147	136.9 Å²	136.9	75%	0.754	71%	0.708	S	S	*	*			trans	-94.5	75.7	143.9	-57.8	-173.1	0	0	0	108.1	L597	I595-L597 HydrophobicContact CG2-CB 3.95Å; I595-L597 HydrophobicContact CG2-CD1 3.71Å; I595-L597 HydrophobicContact CG2-CG 3.7Å; I595-L597 PolarHBondContact O-N 2.85Å; I595-L597 VanDerWaalsContact O-N 3.12Å
596	H	24.4	Very low	26.3	Very low	149 Å²	149	134.1 Å²	134.1	69%	0.69	71%	0.707	S	S	*	*			trans	-75.6	83.9	155.3	-81.3	-76.2	0	0	0	107.9	D763	H596-D763 IonicContact CE1-OD2 3.36Å
597	L	26	Very low	26.5	Very low	140 Å²	140	137.4 Å²	137.4	73%	0.733	72%	0.718	S	S	*	*			trans	-109.3	136.7	162.2	-74.6	176	0	0	0	108.8	I595 V599	I595-L597 HydrophobicContact CG2-CB 3.95Å; I595-L597 HydrophobicContact CG2-CD1 3.71Å; I595-L597 HydrophobicContact CG2-CG 3.7Å; I595-L597 PolarHBondContact O-N 2.85Å; I595-L597 VanDerWaalsContact O-N 3.12Å; L597-V599 PolarHBondContact O-N 3.35Å
598	L	22	Very low	26.4	Very low	150 Å²	150	137.5 Å²	137.5	79%	0.785	72%	0.724	S	S	*	*			trans	-71.8	100.6	-175	-70.3	79.3	0	0	0	110.2	N600	L598-N600 PolarHBondContact O-N 2.97Å
599	V	26.4	Very low	26.2	Very low	131 Å²	131	139 Å²	139	79%	0.794	74%	0.736	S	S	*	*			trans	-88.3	85.7	156.6	-176.2	0	0	0	0	107.4	L597 S601	L597-V599 PolarHBondContact O-N 3.35Å; V599-S601 PolarHBondContact O-N 3.11Å
600	N	23.3	Very low	26.1	Very low	136 Å²	136	137.7 Å²	137.7	73%	0.727	74%	0.738	S	S	*	*			trans	-68.6	97.4	165	-73.8	-15	0	0	0	107.8	L598 P602	L598-N600 PolarHBondContact O-N 2.97Å; N600-P602 WeakPolarHBondContact O-CD 3.39Å
601	S	26.8	Very low	25.9	Very low	97 Å²	97	142.3 Å²	142.3	68%	0.678	76%	0.757	S	S	*	*			trans	-91.6	108.4	167.9	-161.6	0	0	0	0	108.5	V599 D603	V599-S601 PolarHBondContact O-N 3.11Å; S601-D603 PolarHBondContact O-N 3.22Å
602	P	26.5	Very low	26	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	77%	0.767	S	S	*	*			trans	-91	85.9	-174.3	35.5	-31.4	0	0	0	111	N600	N600-P602 WeakPolarHBondContact O-CD 3.39Å
603	D	29.7	Very low	26	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	76%	0.763	S	S	*	*			trans	-149.9	84	171.6	-95.5	-43.4	0	0	0	111.4	S601	S601-D603 PolarHBondContact O-N 3.22Å
604	Y	31.6	Very low	26.2	Very low	240 Å²	240	138.6 Å²	138.6	94%	0.941	77%	0.765	S	S	*	*			trans	-168.3	134.8	144.2	-111.4	-71.6	0	0	0	109.5
605	S	29.5	Very low	26.4	Very low	97 Å²	97	140 Å²	140	68%	0.678	78%	0.777	S	S	*	*			trans	-93.6	152.1	-167.4	46.5	0	0	0	0	115.3
606	D	24.4	Very low	26.5	Very low	150 Å²	150	142.3 Å²	142.3	80%	0.802	78%	0.782	S	S	*	*			trans	43	90.6	147.1	-57.3	-30.6	0	0	0	120.4
607	V	28.4	Very low	26.8	Very low	149 Å²	149	145.1 Å²	145.1	90%	0.903	79%	0.792	S	S	*	*			trans	-138.4	120.5	134.5	-173.9	0	0	0	0	110.4
608	T	21.7	Very low	27.1	Very low	123 Å²	123	143.6 Å²	143.6	76%	0.755	79%	0.793	S	S	*	*			trans	-94.9	139.8	173.9	53.9	0	0	0	0	112.3
609	C	24.8	Very low	27.5	Very low	115 Å²	115	141.5 Å²	141.5	78%	0.777	79%	0.791	S	S	*	*			trans	-174.9	120.3	136.2	-100.2	0	0	0	0	116.1
610	T	27.6	Very low	27.6	Very low	119 Å²	119	143.8 Å²	143.8	73%	0.73	80%	0.795	S	S	*	*			trans	44.6	110.8	134.5	61.9	0	0	0	0	123.2
611	E	22.8	Very low	27.8	Very low	184 Å²	184	144.3 Å²	144.3	86%	0.86	80%	0.797	S	S	*	*				44.5	125.5	124.6	-56.1	-165	159.1	0	0	123.6
612	L	28.5	Very low	28	Very low	166 Å²	166	143.2 Å²	143.2	87%	0.869	79%	0.794	S	S	*	*			trans	-174.1	116.5	130.1	-91.8	147	0	0	0	106.6
613	S	26.6	Very low	28	Very low	95 Å²	95	143.8 Å²	143.8	66%	0.664	80%	0.801	S	S	*	*				58.7	121	72.7	-176	0	0	0	0	113.3
614	T	29.8	Very low	28	Very low	121 Å²	121	141.2 Å²	141.2	74%	0.742	80%	0.8	S	S	*	*			cis	-163.9	151	0.8	24.4	0	0	0	0	109.7
615	N	29.6	Very low	27.8	Very low	168 Å²	168	137.3 Å²	137.3	90%	0.898	80%	0.795	S	S	*	*			trans	-169	143.5	130.3	-109.7	-56.9	0	0	0	112.9
616	K	26.9	Very low	27.6	Very low	195 Å²	195	140 Å²	140	85%	0.848	80%	0.801	S	S	*	*			trans	-120.7	127.3	-179.4	-74.4	-178.5	177.2	177.3	0	112
617	K	30.9	Very low	27.8	Very low	209 Å²	209	139.1 Å²	139.1	91%	0.909	80%	0.803	S	S	*	*			trans	177.1	136.6	152.9	-94.2	145.3	-174	179	0	106.8
618	S	30.4	Very low	27.8	Very low	107 Å²	107	139.1 Å²	139.1	75%	0.748	80%	0.798	S	S	*	*			cis	-167.3	150.7	1.5	43.2	0	0	0	0	111.5
619	S	31.5	Very low	28.2	Very low	107 Å²	107	141.8 Å²	141.8	75%	0.748	80%	0.801	S	S	*	*			trans	49.9	107.1	161.6	-152.2	0	0	0	0	118.2
620	M	27.9	Very low	28.3	Very low	178 Å²	178	141.7 Å²	141.7	88%	0.877	80%	0.801	S	S	*	*				52.5	102.5	79.9	-70.6	-170.8	69.2	0	0	116.1
621	L	28.9	Very low	28	Very low	147 Å²	147	144.9 Å²	144.9	77%	0.77	81%	0.812	S	S	*	*			trans	-157.7	111.9	131.7	-94	170.9	0	0	0	105.3
622	A	29.4	Very low	28.3	Very low	74 Å²	74	140.8 Å²	140.8	61%	0.612	81%	0.81	S	S	*	*				58.8	99.4	94.2	0	0	0	0	0	112.3
623	S	27.1	Very low	28	Very low	129 Å²	129	136.6 Å²	136.6	90%	0.902	81%	0.807	S	S	*	*			cis	83.3	62.6	47.2	-50.7	0	0	0	0	115.3
624	A	29.4	Very low	28	Very low	93 Å²	93	140.1 Å²	140.1	77%	0.769	82%	0.816	S	S	*	*			trans	-168.6	146.6	153.5	0	0	0	0	0	106.1
625	L	26.9	Very low	27.7	Very low	158 Å²	158	143.5 Å²	143.5	83%	0.827	82%	0.821	S	S	*	*			cis	-134.4	136.4	15.7	-67.3	155.1	0	0	0	110.3
626	L	25.4	Very low	27.6	Very low	153 Å²	153	141.6 Å²	141.6	80%	0.801	82%	0.815	S	S	*	*			trans	-143.2	129.3	164.5	-96.8	170.5	0	0	0	108.3	N628	L626-N628 PolarHBondContact O-N 3.49Å
627	P	30.2	Very low	27.6	Very low	131 Å²	131	139.6 Å²	139.6	85%	0.851	81%	0.814	S	S	*	*			trans	-70.4	113.5	169.2	-16	31.1	0	0	0	109.8
628	N	27.2	Very low	27.4	Very low	149 Å²	149	138 Å²	138	80%	0.797	81%	0.809	S	S	*	*			trans	-71.8	137.1	174.5	-68.5	-47.4	0	0	0	110.8	L626	L626-N628 PolarHBondContact O-N 3.49Å
629	H	30.8	Very low	27.2	Very low	179 Å²	179	141.5 Å²	141.5	83%	0.829	81%	0.814	S	S	*	*			trans	-152.5	132.2	138.2	-120.9	-81.5	0	0	0	112.5
630	C	25.7	Very low	27	Very low	114 Å²	114	145.3 Å²	145.3	77%	0.77	82%	0.82	S	S	*	*			trans	49.6	85.3	161.2	-63.8	0	0	0	0	119.4
631	L	22.7	Very low	27	Very low	185 Å²	185	143.6 Å²	143.6	97%	0.969	81%	0.814	S	S	*	*			trans	-85.1	126.3	142.5	-99.3	165.7	0	0	0	109.3
632	A	27.7	Very low	27.1	Very low	99 Å²	99	145.1 Å²	145.1	82%	0.818	82%	0.82	S	S	*	*			trans	-150.9	118.7	163.7	0	0	0	0	0	108.6
633	G	23.8	Very low	27.2	Very low	77 Å²	77	148.6 Å²	148.6	79%	0.794	83%	0.828	S	S	*	*			trans	-102.1	138	-174.1	0	0	0	0	0	113
634	I	26.3	Very low	27.4	Very low	169 Å²	169	146.1 Å²	146.1	87%	0.867	80%	0.802	S	S	*	*			trans	-130.7	137.6	169.4	-66.9	-179.9	0	0	0	107.8
635	K	23.3	Very low	27.8	Very low	192 Å²	192	144.4 Å²	144.4	84%	0.835	78%	0.784	S	S	*	*			trans	-88.3	153.5	169.2	-57.1	176.6	178.9	-178.2	0	109.2
636	V	27.6	Very low	28.2	Very low	129 Å²	129	141.7 Å²	141.7	78%	0.782	78%	0.777	S	S	*	*			trans	166.7	132.9	130.9	150.3	0	0	0	0	110.6
637	N	27.4	Very low	28.6	Very low	152 Å²	152	141.4 Å²	141.4	81%	0.813	77%	0.771	S	S	*	*			trans	38.2	166.6	153.1	-60	15.3	0	0	0	123.2
638	E	25.6	Very low	29	Very low	175 Å²	175	139.8 Å²	139.8	82%	0.818	76%	0.755	S	S	*	*	S	Bend	trans	-83.4	171.7	-175.3	-54.7	160.7	116.8	0	0	113
639	Q	25.6	Very low	29.3	Very low	182 Å²	182	137 Å²	137	85%	0.85	74%	0.737	S	S	*	*			trans	65.3	79.4	165.1	-57.3	-174.4	0.9	0	0	117.8
640	Q	27.9	Very low	29.5	Very low	187 Å²	187	133 Å²	133	87%	0.874	72%	0.722	S	S	*	*			trans	-161.7	163.9	138.9	-112.4	159.7	20.2	0	0	112.4
641	D	27.9	Very low	29.8	Very low	141 Å²	141	133.5 Å²	133.5	75%	0.754	71%	0.711	S	S	*	*			trans	-67.1	128.8	-162.6	-56.1	-85.6	0	0	0	115.2	N643	D641-N643 PolarHBondContact O-N 2.98Å
642	M	31.2	Very low	30.3	Very low	180 Å²	180	132.2 Å²	132.2	89%	0.887	69%	0.693	S	S	*	*			trans	-76.3	84.5	173.4	-76.7	-66.5	-64.9	0	0	111.2	E644	M642-E644 PolarHBondContact O-N 3.15Å
643	N	32	Very low	30.7	Very low	147 Å²	147	132.9 Å²	132.9	79%	0.786	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-57.7	125.1	165.4	-76.1	-79	0	0	0	110.1	D641	D641-N643 PolarHBondContact O-N 2.98Å
644	E	31.2	Very low	31.6	Very low	77 Å²	77	135.5 Å²	135.5	36%	0.36	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-62.3	148.8	171.7	-69.4	179	110	0	0	110.9	M642 Q649 R652	M642-E644 PolarHBondContact O-N 3.15Å; E644-Q649 HydrophobicContact CB-CG 3.81Å; E644-Q649 HydrophobicContact CG-CG 4.46Å; E644-Q649 WeakPolarHBondContact OE2-CG 3.35Å; E644-Q649 PolarHBondContact OE2-NE2 3.18Å; E644-R652 IonicContact OE1-CZ 3.7Å; E644-R652 IonicContact OE1-NH1 3.18Å; E644-R652 PolarHBondContact OE1-NH1 3.23Å; E644-R652 IonicContact OE2-NH1 3.47Å
645	S	37.6	Very low	32	Very low	56 Å²	56	134 Å²	134	39%	0.392	66%	0.66	S	S	.	*	P	Polyproline II helix	trans	-64	138.1	170.1	57.2	0	0	0	0	110.2	E647 N648 Q649	S645-E647 PolarHBondContact O-N 2.82Å; S645-E647 VanDerWaalsContact O-N 3.08Å; S645-N648 PolarHBondContact O-N 2.94Å; S645-N648 PolarHBondContact OG-ND2 3.23Å; S645-Q649 PolarHBondContact O-N 2.87Å
646	P	36	Very low	32.6	Very low	102 Å²	102	129.9 Å²	129.9	66%	0.662	65%	0.647	S	S	*	*	H	α-helix	trans	-62.1	-23.9	-174.7	22.9	-33.7	0	0	0	112.9	L650	P646-L650 WeakPolarHBondContact O-CB 3.37Å; P646-L650 PolarHBondContact O-N 2.98Å
647	E	33.9	Very low	33.4	Very low	147 Å²	147	127.8 Å²	127.8	69%	0.687	63%	0.631	S	S	*	*	H	α-helix	trans	-66.7	-38.8	172.8	-61.9	-169.6	132.8	0	0	112.6	S645 L650 F651	S645-E647 PolarHBondContact O-N 2.82Å; S645-E647 VanDerWaalsContact O-N 3.08Å; E647-L650 PolarHBondContact O-N 2.98Å; E647-F651 WeakPolarHBondContact O-CD2 3.34Å; E647-F651 PolarHBondContact O-N 3.38Å
648	N	37.5	Very low	34.3	Very low	97 Å²	97	125.2 Å²	125.2	52%	0.519	62%	0.623	S	S	.	*	H	α-helix	trans	-72.6	-37.4	178.8	-80.5	-37.9	0	0	0	112	S645 F651 R652	S645-N648 PolarHBondContact O-N 2.94Å; S645-N648 PolarHBondContact OG-ND2 3.23Å; N648-F651 PolarHBondContact O-N 2.7Å; N648-R652 PolarHBondContact O-N 3.47Å
649	Q	33.2	Very low	35.1	Very low	89 Å²	89	119.3 Å²	119.3	42%	0.416	60%	0.597	S	S	.	*	H	α-helix	trans	-63.4	-45.3	170.2	-73.1	-174.8	-20.3	0	0	111.3	E644 S645 F651 R652 D653	E644-Q649 HydrophobicContact CB-CG 3.81Å; E644-Q649 HydrophobicContact CG-CG 4.46Å; E644-Q649 WeakPolarHBondContact OE2-CG 3.35Å; E644-Q649 PolarHBondContact OE2-NE2 3.18Å; S645-Q649 PolarHBondContact O-N 2.87Å; Q649-F651 PolarHBondContact O-N 3.45Å; Q649-F651 VanDerWaalsContact O-N 3.1Å; Q649-R652 PolarHBondContact O-N 3.48Å; Q649-D653 PolarHBondContact O-N 2.94Å
650	L	34.9	Very low	36.1	Very low	97 Å²	97	115.2 Å²	115.2	51%	0.508	58%	0.577	S	S	.	*	H	α-helix	trans	-62.5	-18.2	174.7	-161.9	75.8	0	0	0	113.4	P646 E647 K654	P646-L650 WeakPolarHBondContact O-CB 3.37Å; P646-L650 PolarHBondContact O-N 2.98Å; E647-L650 PolarHBondContact O-N 2.98Å; L650-K654 WeakPolarHBondContact O-CD 3.17Å; L650-K654 WeakPolarHBondContact O-CG 3.36Å
651	F	32.6	Very low	37.1	Very low	123 Å²	123	112 Å²	112	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-89.2	-35.4	170.7	-95	-71.8	0	0	0	113.6	E647 N648 Q649	E647-F651 WeakPolarHBondContact O-CD2 3.34Å; E647-F651 PolarHBondContact O-N 3.38Å; N648-F651 PolarHBondContact O-N 2.7Å; Q649-F651 PolarHBondContact O-N 3.45Å; Q649-F651 VanDerWaalsContact O-N 3.1Å
652	R	34.1	Very low	38	Very low	158 Å²	158	108.7 Å²	108.7	60%	0.596	55%	0.547	S	S	*	.	H	α-helix	trans	-62.9	-50.6	170.9	-80.5	179.7	142.3	170.5	-12.9	110.9	E644 N648 Q649 K654 F655 L656	E644-R652 IonicContact OE1-CZ 3.7Å; E644-R652 IonicContact OE1-NH1 3.18Å; E644-R652 PolarHBondContact OE1-NH1 3.23Å; E644-R652 IonicContact OE2-NH1 3.47Å; N648-R652 PolarHBondContact O-N 3.47Å; Q649-R652 PolarHBondContact O-N 3.48Å; R652-K654 PolarHBondContact O-N 3.48Å; R652-F655 PolarHBondContact O-N 3Å; R652-F655 VanDerWaalsContact O-N 3.09Å; R652-L656 PolarHBondContact O-N 2.7Å
653	D	36	Very low	39.1	Very low	114 Å²	114	104.1 Å²	104.1	61%	0.61	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.1	-178.7	-72.3	-14.5	0	0	0	114.3	Q649	Q649-D653 PolarHBondContact O-N 2.94Å
654	K	41.1	Very low	40.1	Very low	131 Å²	131	101.6 Å²	101.6	57%	0.57	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-10	176.8	-77.4	176.7	-170.3	160.6	0	114.5	L650 R652	L650-K654 WeakPolarHBondContact O-CD 3.17Å; L650-K654 WeakPolarHBondContact O-CG 3.36Å; R652-K654 PolarHBondContact O-N 3.48Å
655	F	35.9	Very low	41.1	Very low	139 Å²	139	103.5 Å²	103.5	61%	0.61	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.6	-2.9	178.7	-77.8	-81.1	0	0	0	114	R652 D657	R652-F655 PolarHBondContact O-N 3Å; R652-F655 VanDerWaalsContact O-N 3.09Å; F655-D657 PolarHBondContact O-N 3.13Å
656	L	35.7	Very low	41.6	Very low	105 Å²	105	104.7 Å²	104.7	55%	0.55	52%	0.519	S	S	.	.	S	Bend	trans	-61.9	124.9	156.9	-82.6	166	0	0	0	109.3	R652 P658	R652-L656 PolarHBondContact O-N 2.7Å; L656-P658 WeakPolarHBondContact O-CD 3.39Å
657	D	44.2	Very low	42.4	Very low	84 Å²	84	103.3 Å²	103.3	45%	0.449	51%	0.506	S	S	.	.			trans	-62.2	123	-179.3	-176.6	-3.7	0	0	0	110.2	F655 N659 H660 L661	F655-D657 PolarHBondContact O-N 3.13Å; D657-N659 PolarHBondContact O-N 3.4Å; D657-N659 VanDerWaalsContact O-N 3.13Å; D657-N659 VanDerWaalsContact OD1-CB 3.26Å; D657-N659 WeakPolarHBondContact OD1-CB 3.46Å; D657-N659 PolarHBondContact OD1-N 3.37Å; D657-H660 HydrophobicContact CB-CB 4.12Å; D657-H660 WeakPolarHBondContact O-CB 3.37Å; D657-H660 PolarHBondContact O-N 3.17Å; D657-L661 PolarHBondContact O-N 3.17Å
658	P	46	Very low	43.4	Very low	99 Å²	99	102.7 Å²	102.7	64%	0.643	50%	0.503	S	S	*	.	H	α-helix	trans	-52.9	-32	172.3	-26.8	35.8	0	0	0	112.6	L656 H660 L662	L656-P658 WeakPolarHBondContact O-CD 3.39Å; P658-H660 VanDerWaalsContact C-N 3.32Å; P658-H660 PolarHBondContact O-N 3.5Å; P658-L662 VanDerWaalsContact O-CB 3.22Å; P658-L662 WeakPolarHBondContact O-CB 3.31Å; P658-L662 PolarHBondContact O-N 2.87Å
659	N	43.1	Very low	43.9	Very low	50 Å²	50	103.4 Å²	103.4	27%	0.267	51%	0.507	S	S	.	.	H	α-helix	trans	-67.5	-30.4	175.7	-61.9	-10.4	0	0	0	112	N71 D74 D657 L663	N71-N659 PolarHBondContact OD1-OD1 3.29Å; D74-N659 PolarHBondContact OD2-ND2 2.88Å; D657-N659 PolarHBondContact O-N 3.4Å; D657-N659 VanDerWaalsContact O-N 3.13Å; D657-N659 VanDerWaalsContact OD1-CB 3.26Å; D657-N659 WeakPolarHBondContact OD1-CB 3.46Å; D657-N659 PolarHBondContact OD1-N 3.37Å; N659-L663 WeakPolarHBondContact O-CA 3.26Å; N659-L663 WeakPolarHBondContact O-CB 3.44Å; N659-L663 PolarHBondContact O-N 3.36Å
660	H	46.2	Very low	44.4	Very low	97 Å²	97	105.3 Å²	105.3	45%	0.449	52%	0.519	S	S	.	.	H	α-helix	trans	-72.8	-47.6	176.5	-171.8	88.2	0	0	0	111.5	D657 P658 L662 L663 M664	D657-H660 HydrophobicContact CB-CB 4.12Å; D657-H660 WeakPolarHBondContact O-CB 3.37Å; D657-H660 PolarHBondContact O-N 3.17Å; P658-H660 VanDerWaalsContact C-N 3.32Å; P658-H660 PolarHBondContact O-N 3.5Å; H660-L662 VanDerWaalsContact C-N 3.28Å; H660-L662 PolarHBondContact O-N 3.29Å; H660-L663 PolarHBondContact O-N 2.86Å; H660-M664 WeakPolarHBondContact O-CG 3.46Å; H660-M664 PolarHBondContact O-N 2.97Å
661	L	48.4	Very low	44.6	Very low	118 Å²	118	108.5 Å²	108.5	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-63.9	-36.7	176.1	-171.2	69.3	0	0	0	111.4	D657 K665	D657-L661 PolarHBondContact O-N 3.17Å; L661-K665 PolarHBondContact O-N 3.2Å; L661-K665 VanDerWaalsContact O-N 3.12Å
662	L	48.1	Very low	44.7	Very low	72 Å²	72	110.1 Å²	110.1	38%	0.377	54%	0.536	S	S	.	.	H	α-helix	trans	-71.5	-39.8	174.4	-156.7	84.4	0	0	0	111.9	N71 P658 H660 M664 K665 L666	N71-L662 WeakPolarHBondContact ND2-CD2 3.38Å; P658-L662 VanDerWaalsContact O-CB 3.22Å; P658-L662 WeakPolarHBondContact O-CB 3.31Å; P658-L662 PolarHBondContact O-N 2.87Å; H660-L662 VanDerWaalsContact C-N 3.28Å; H660-L662 PolarHBondContact O-N 3.29Å; L662-M664 VanDerWaalsContact C-N 3.33Å; L662-M664 PolarHBondContact O-N 3.18Å; L662-K665 CarbonylContact O-C 3.53Å; L662-K665 PolarHBondContact O-N 3.24Å; L662-L666 VanDerWaalsContact O-CB 3.3Å; L662-L666 WeakPolarHBondContact O-CB 3.47Å; L662-L666 PolarHBondContact O-N 2.91Å
663	L	52.8	Low	44.7	Very low	84 Å²	84	108.3 Å²	108.3	44%	0.44	54%	0.544	S	S	.	.	H	α-helix	trans	-61.6	-41.2	175.1	177.8	63.8	0	0	0	111.1	N659 H660 L666 L667	N659-L663 WeakPolarHBondContact O-CA 3.26Å; N659-L663 WeakPolarHBondContact O-CB 3.44Å; N659-L663 PolarHBondContact O-N 3.36Å; H660-L663 PolarHBondContact O-N 2.86Å; L663-L666 PolarHBondContact O-N 3.09Å; L663-L667 HydrophobicContact CD1-CD1 4.25Å; L663-L667 HydrophobicContact CD1-CG 4.2Å; L663-L667 HydrophobicContact CG-CD1 4.01Å; L663-L667 HydrophobicContact CG-CG 4.41Å; L663-L667 WeakPolarHBondContact O-CB 3.23Å; L663-L667 VanDerWaalsContact O-CG 3.28Å; L663-L667 WeakPolarHBondContact O-CG 3.31Å; L663-L667 PolarHBondContact O-N 3.3Å
664	M	54.5	Low	44.2	Very low	94 Å²	94	108.9 Å²	108.9	46%	0.463	56%	0.556	S	S	.	*	H	α-helix	trans	-61.9	-46.1	173.6	-71.5	-59.9	169.8	0	0	111.4	H660 L662 L666 L667 E668	H660-M664 WeakPolarHBondContact O-CG 3.46Å; H660-M664 PolarHBondContact O-N 2.97Å; L662-M664 VanDerWaalsContact C-N 3.33Å; L662-M664 PolarHBondContact O-N 3.18Å; M664-L666 VanDerWaalsContact C-N 3.29Å; M664-L666 PolarHBondContact O-N 3.37Å; M664-L667 PolarHBondContact O-N 3.37Å; M664-L667 HydrophobicContact SD-CD1 4.33Å; M664-E668 VanDerWaalsContact O-CB 3.26Å; M664-E668 WeakPolarHBondContact O-CB 3.44Å; M664-E668 PolarHBondContact O-N 3.37Å
665	K	50.7	Low	43.6	Very low	117 Å²	117	107.5 Å²	107.5	51%	0.509	56%	0.563	S	S	.	*	H	α-helix	trans	-65.2	-28.1	173.3	-78.1	-174.5	172.6	178.6	0	114	L661 L662 L669	L661-K665 PolarHBondContact O-N 3.2Å; L661-K665 VanDerWaalsContact O-N 3.12Å; L662-K665 CarbonylContact O-C 3.53Å; L662-K665 PolarHBondContact O-N 3.24Å; K665-L669 VanDerWaalsContact O-CB 3.26Å; K665-L669 WeakPolarHBondContact O-CB 3.15Å; K665-L669 WeakPolarHBondContact O-CD1 3.47Å; K665-L669 WeakPolarHBondContact O-CG 3.35Å; K665-L669 PolarHBondContact O-N 3.39Å
666	L	49.3	Very low	43.4	Very low	81 Å²	81	106.5 Å²	106.5	42%	0.424	57%	0.57	S	S	.	*	H	α-helix	trans	-78.8	-37	177.3	-145	163.7	0	0	0	110.6	L662 L663 M664 L669 L670	L662-L666 VanDerWaalsContact O-CB 3.3Å; L662-L666 WeakPolarHBondContact O-CB 3.47Å; L662-L666 PolarHBondContact O-N 2.91Å; L663-L666 PolarHBondContact O-N 3.09Å; M664-L666 VanDerWaalsContact C-N 3.29Å; M664-L666 PolarHBondContact O-N 3.37Å; L666-L669 PolarHBondContact O-N 2.98Å; L666-L670 HydrophobicContact CD2-CD1 3.55Å; L666-L670 HydrophobicContact CD2-CG 3.98Å; L666-L670 VanDerWaalsContact O-CB 3.31Å; L666-L670 WeakPolarHBondContact O-CB 3.09Å; L666-L670 WeakPolarHBondContact O-CG 3.41Å; L666-L670 PolarHBondContact O-N 3.46Å
667	L	53.3	Low	43.1	Very low	73 Å²	73	109.6 Å²	109.6	38%	0.382	59%	0.586	S	S	.	*	H	α-helix	trans	-66.4	-36.6	169.5	-72.4	168.8	0	0	0	111.9	L663 M664 L670 K671	L663-L667 HydrophobicContact CD1-CD1 4.25Å; L663-L667 HydrophobicContact CD1-CG 4.2Å; L663-L667 HydrophobicContact CG-CD1 4.01Å; L663-L667 HydrophobicContact CG-CG 4.41Å; L663-L667 WeakPolarHBondContact O-CB 3.23Å; L663-L667 VanDerWaalsContact O-CG 3.28Å; L663-L667 WeakPolarHBondContact O-CG 3.31Å; L663-L667 PolarHBondContact O-N 3.3Å; M664-L667 PolarHBondContact O-N 3.37Å; M664-L667 HydrophobicContact SD-CD1 4.33Å; L667-L670 PolarHBondContact O-N 3.12Å; L667-K671 WeakPolarHBondContact O-CB 3.38Å; L667-K671 WeakPolarHBondContact O-CG 3Å; L667-K671 PolarHBondContact O-N 3.29Å
668	E	55	Low	42.4	Very low	134 Å²	134	111.3 Å²	111.3	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-66.1	-47.3	172.5	-172.5	174	-134.1	0	0	111.2	M664 L670 K671	M664-E668 VanDerWaalsContact O-CB 3.26Å; M664-E668 WeakPolarHBondContact O-CB 3.44Å; M664-E668 PolarHBondContact O-N 3.37Å; E668-L670 VanDerWaalsContact C-N 3.27Å; E668-L670 PolarHBondContact O-N 2.98Å; E668-K671 CarbonylContact O-C 3.6Å; E668-K671 PolarHBondContact O-N 3.46Å; E668-K671 VanDerWaalsContact O-N 3.08Å
669	L	46.4	Very low	41.5	Very low	113 Å²	113	112.8 Å²	112.8	59%	0.592	61%	0.607	S	S	*	*	H	α-helix	trans	-68.2	-18.4	173.8	-74	167.7	0	0	0	114.3	K665 L666 F672	K665-L669 VanDerWaalsContact O-CB 3.26Å; K665-L669 WeakPolarHBondContact O-CB 3.15Å; K665-L669 WeakPolarHBondContact O-CD1 3.47Å; K665-L669 WeakPolarHBondContact O-CG 3.35Å; K665-L669 PolarHBondContact O-N 3.39Å; L666-L669 PolarHBondContact O-N 2.98Å; L669-F672 WeakPolarHBondContact O-CD2 3.47Å; L669-F672 WeakPolarHBondContact O-CE2 3.41Å
670	L	44.7	Very low	40.9	Very low	128 Å²	128	119.3 Å²	119.3	67%	0.67	64%	0.636	S	S	*	*	H	α-helix	trans	-88.9	-17.7	170.6	-74.3	169.9	0	0	0	112.5	L666 L667 E668 F672	L666-L670 HydrophobicContact CD2-CD1 3.55Å; L666-L670 HydrophobicContact CD2-CG 3.98Å; L666-L670 VanDerWaalsContact O-CB 3.31Å; L666-L670 WeakPolarHBondContact O-CB 3.09Å; L666-L670 WeakPolarHBondContact O-CG 3.41Å; L666-L670 PolarHBondContact O-N 3.46Å; L667-L670 PolarHBondContact O-N 3.12Å; E668-L670 VanDerWaalsContact C-N 3.27Å; E668-L670 PolarHBondContact O-N 2.98Å; L670-F672 PolarHBondContact O-N 3.41Å
671	K	39.6	Very low	40.2	Very low	164 Å²	164	121 Å²	121	71%	0.713	65%	0.648	S	S	*	*			trans	-86.1	48.8	171	-73.2	169.2	-179.3	178.8	0	111.4	L667 E668	L667-K671 WeakPolarHBondContact O-CB 3.38Å; L667-K671 WeakPolarHBondContact O-CG 3Å; L667-K671 PolarHBondContact O-N 3.29Å; E668-K671 CarbonylContact O-C 3.6Å; E668-K671 PolarHBondContact O-N 3.46Å; E668-K671 VanDerWaalsContact O-N 3.08Å
672	F	34.7	Very low	39.5	Very low	158 Å²	158	124.3 Å²	124.3	69%	0.693	66%	0.658	S	S	*	*			trans	-59.3	134.5	164	-87.2	-77.7	0	0	0	109.4	L669 L670 C674	L669-F672 WeakPolarHBondContact O-CD2 3.47Å; L669-F672 WeakPolarHBondContact O-CE2 3.41Å; L670-F672 PolarHBondContact O-N 3.41Å; F672-C674 PolarHBondContact O-N 3Å
673	P	33.8	Very low	38.7	Very low	119 Å²	119	126 Å²	126	77%	0.773	68%	0.676	S	S	*	*			trans	-69	108.9	179.1	27.3	-33.5	0	0	0	109.8	S675	P673-S675 PolarHBondContact O-N 3.32Å
674	C	25.6	Very low	37.8	Very low	127 Å²	127	126.7 Å²	126.7	86%	0.858	69%	0.687	S	S	*	*			trans	-62.4	103.9	164	-73.6	0	0	0	0	108.6	F672	F672-C674 PolarHBondContact O-N 3Å
675	S	28.4	Very low	36.8	Very low	102 Å²	102	127.5 Å²	127.5	71%	0.713	70%	0.698	S	S	*	*			trans	-53.8	134.8	165.9	48.1	0	0	0	0	109.4	P673 L677	P673-S675 PolarHBondContact O-N 3.32Å; S675-L677 PolarHBondContact O-N 2.67Å
676	P	31.7	Very low	35.9	Very low	118 Å²	118	128.6 Å²	128.6	77%	0.766	71%	0.709	S	S	*	*			trans	-65.3	121.2	-170.7	25.5	-34.1	0	0	0	111.1	T678	P676-T678 PolarHBondContact O-N 3.04Å
677	L	27.9	Very low	35.3	Very low	170 Å²	170	130.4 Å²	130.4	89%	0.89	72%	0.724	S	S	*	*			trans	-68.5	100.3	169.7	-88.8	159.2	0	0	0	109.1	S675 T679	S675-L677 PolarHBondContact O-N 2.67Å; L677-T679 PolarHBondContact O-N 3.47Å
678	T	29.4	Very low	34.3	Very low	119 Å²	119	133.8 Å²	133.8	73%	0.73	74%	0.742	S	S	*	*			trans	-63.8	112.1	173.6	44.5	0	0	0	0	110.3	P676 E680	P676-T678 PolarHBondContact O-N 3.04Å; T678-E680 PolarHBondContact O-N 3.09Å
679	T	28.1	Very low	33.3	Very low	130 Å²	130	133.5 Å²	133.5	80%	0.798	75%	0.75	S	S	*	*			trans	-77.4	83.3	178	52.4	0	0	0	0	111.4	L677	L677-T679 PolarHBondContact O-N 3.47Å
680	E	29.9	Very low	32.7	Very low	187 Å²	187	132.9 Å²	132.9	87%	0.874	76%	0.755	S	S	*	*			trans	-80.8	119.9	167.5	-67.4	-158.4	143.9	0	0	110.8	T678	T678-E680 PolarHBondContact O-N 3.09Å
681	N	33.1	Very low	32	Very low	132 Å²	132	134.6 Å²	134.6	71%	0.706	76%	0.763	S	S	*	*			trans	-87.1	131.3	170.8	-87.8	-81.1	0	0	0	109.5
682	K	32.2	Very low	31.8	Very low	189 Å²	189	132.4 Å²	132.4	82%	0.822	77%	0.766	S	S	*	*			trans	38.8	115.4	146.4	-53.5	174.3	-174.4	174.9	0	115.5
683	S	31.6	Very low	31.4	Very low	108 Å²	108	132.1 Å²	132.1	76%	0.755	77%	0.77	S	S	*	*				176.3	179.1	54.3	52.6	0	0	0	0	112.8
684	S	33.2	Very low	31.3	Very low	97 Å²	97	133 Å²	133	68%	0.678	77%	0.773	S	S	*	*			trans	71.1	112.2	153.5	42.7	0	0	0	0	120.7
685	T	33.6	Very low	31.4	Very low	112 Å²	112	132.9 Å²	132.9	69%	0.687	77%	0.768	S	S	*	*			trans	74.4	97.6	131.3	59.8	0	0	0	0	122.2
686	D	32.9	Very low	31.5	Very low	139 Å²	139	133.1 Å²	133.1	74%	0.743	77%	0.77	S	S	*	*				93.1	140.2	108.5	-59.9	-17.7	0	0	0	124.1
687	T	35.6	Very low	31.6	Very low	120 Å²	120	135.5 Å²	135.5	74%	0.736	77%	0.771	S	S	*	*			trans	78.5	96.9	158.6	53.1	0	0	0	0	122.4
688	N	32.5	Very low	31.6	Very low	143 Å²	143	136 Å²	136	77%	0.765	77%	0.768	S	S	*	*				50.3	126.4	120.5	-51.7	-19.7	0	0	0	121.7
689	T	34.4	Very low	32	Very low	129 Å²	129	135.2 Å²	135.2	79%	0.791	77%	0.766	S	S	*	*				168.6	125.2	99.5	-64	0	0	0	0	114.1
690	S	34.6	Very low	32.1	Very low	100 Å²	100	136.5 Å²	136.5	70%	0.699	77%	0.767	S	S	*	*			trans	20.8	125.8	155.2	-46.2	0	0	0	0	122.6
691	I	29.4	Very low	32.1	Very low	163 Å²	163	134.4 Å²	134.4	84%	0.836	76%	0.761	S	S	*	*				54.5	129.8	69.1	-67.1	177.1	0	0	0	112.7
692	P	34.5	Very low	32.1	Very low	119 Å²	119	135 Å²	135	77%	0.773	76%	0.759	S	S	*	*			cis	-142.5	-174.2	39.5	32.9	-8.4	0	0	0	119.2
693	I	27.4	Very low	32.1	Very low	151 Å²	151	133.5 Å²	133.5	77%	0.774	76%	0.755	S	S	*	*			trans	-88.4	152.2	175.6	-63	156.9	0	0	0	112	V695	I693-V695 HydrophobicContact CG2-CG2 4.24Å
694	V	31.8	Very low	31.9	Very low	139 Å²	139	133.2 Å²	133.2	84%	0.842	75%	0.753	S	S	*	*			trans	-136.6	149	162.2	179.6	0	0	0	0	110.7
695	V	26.8	Very low	31.9	Very low	123 Å²	123	134.5 Å²	134.5	75%	0.745	76%	0.762	S	S	*	*			trans	-137	131.4	-178.3	172.7	0	0	0	0	110.6	I693	I693-V695 HydrophobicContact CG2-CG2 4.24Å
696	S	31.9	Very low	31.9	Very low	108 Å²	108	136 Å²	136	76%	0.755	77%	0.766	S	S	*	*			trans	-158.6	111.2	164.2	-84.8	0	0	0	0	114.9
697	Q	33.5	Very low	31.9	Very low	168 Å²	168	135.1 Å²	135.1	79%	0.785	77%	0.766	S	S	*	*			trans	25.9	119.4	131	-65	167.4	-15.5	0	0	122.2
698	Q	28.3	Very low	31.8	Very low	179 Å²	179	136.6 Å²	136.6	84%	0.836	77%	0.768	S	S	*	*				46.5	164.5	115.9	-73.2	-174.5	-32.2	0	0	122.8
699	P	36.8	Very low	31.5	Very low	104 Å²	104	136.8 Å²	136.8	68%	0.675	77%	0.769	S	S	*	*			cis	-137.1	-155.9	-39.4	41.2	-22.6	0	0	0	112.3
700	L	30.1	Very low	31.4	Very low	157 Å²	157	136.7 Å²	136.7	82%	0.822	77%	0.769	S	S	*	*			trans	106.1	157.6	173.2	-62.6	160.3	0	0	0	115.1
701	L	29.9	Very low	31.3	Very low	142 Å²	142	137.2 Å²	137.2	74%	0.743	77%	0.772	S	S	*	*				-167.3	170.4	-58.6	-119.4	-176.1	0	0	0	109.6
702	Q	32.5	Very low	31.2	Very low	145 Å²	145	138 Å²	138	68%	0.678	77%	0.772	S	S	*	*			trans	78.7	134.6	161.9	-79.3	166.7	-95.7	0	0	122.1
703	E	32.6	Very low	31.3	Very low	158 Å²	158	138.5 Å²	138.5	74%	0.738	78%	0.776	S	S	*	*			trans	62.2	140.7	143.7	-67.7	160.2	-143.6	0	0	120.9
704	S	28.5	Very low	31.3	Very low	101 Å²	101	137.2 Å²	137.2	71%	0.706	78%	0.775	S	S	*	*			cis	154.8	121.8	-33.4	52.5	0	0	0	0	107.5
705	S	33.6	Very low	31.4	Very low	124 Å²	124	136.8 Å²	136.8	87%	0.867	77%	0.772	S	S	*	*			trans	-155.2	144.3	164.2	56.7	0	0	0	0	109.8
706	D	32.8	Very low	31.5	Very low	144 Å²	144	139.9 Å²	139.9	77%	0.77	78%	0.775	S	S	*	*			trans	-120.1	165	-159.2	-99.5	-54.4	0	0	0	113.4
707	T	31.9	Very low	31.6	Very low	120 Å²	120	138.6 Å²	138.6	74%	0.736	77%	0.771	S	S	*	*			trans	75.5	133.7	144.8	44	0	0	0	0	124.2
708	L	34.3	Very low	31.6	Very low	151 Å²	151	138.5 Å²	138.5	79%	0.791	78%	0.776	S	S	*	*			trans	96.5	122.7	131.2	-77.9	164.2	0	0	0	123.1
709	N	26	Very low	31.9	Very low	147 Å²	147	133.1 Å²	133.1	79%	0.786	77%	0.769	S	S	*	*			trans	-40.5	142.1	168.9	-50.7	-22.9	0	0	0	119
710	T	32.5	Very low	31.7	Very low	128 Å²	128	135.6 Å²	135.6	79%	0.785	78%	0.777	S	S	*	*			trans	-160.3	118.9	143.2	28.4	0	0	0	0	106.3
711	S	32.5	Very low	32	Very low	111 Å²	111	133.5 Å²	133.5	78%	0.776	77%	0.77	S	S	*	*				80.3	149.2	72.8	75.6	0	0	0	0	114.9
712	E	26.5	Very low	32.2	Very low	178 Å²	178	132.1 Å²	132.1	83%	0.832	77%	0.768	S	S	*	*			trans	-64.5	165.9	-169.4	-52.7	170.9	133.7	0	0	115.2
713	P	37.4	Very low	32.4	Very low	130 Å²	130	132.4 Å²	132.4	84%	0.844	77%	0.769	S	S	*	*			trans	-128	133.2	138.6	36.1	-26.5	0	0	0	114.3
714	V	26.9	Very low	32.5	Very low	124 Å²	124	131.4 Å²	131.4	75%	0.752	77%	0.769	S	S	*	*			trans	-118	173	156.3	174.7	0	0	0	0	106.2
715	V	33.2	Very low	32.5	Very low	130 Å²	130	134 Å²	134	79%	0.788	78%	0.775	S	S	*	*			trans	86.2	137.6	179.2	-176.1	0	0	0	0	112.9
716	K	30.5	Very low	32.7	Very low	188 Å²	188	133.1 Å²	133.1	82%	0.817	77%	0.766	S	S	*	*			cis	177.5	167.3	-26.3	-107.4	178.5	176.9	-175.1	0	105.3
717	A	33.8	Very low	32.7	Very low	81 Å²	81	131.9 Å²	131.9	67%	0.669	77%	0.769	S	S	*	*			trans	66.9	154.1	153.9	0	0	0	0	0	117.6
718	D	33.5	Very low	32.5	Very low	166 Å²	166	134.6 Å²	134.6	89%	0.888	78%	0.776	S	S	*	*			cis	-159.4	166.3	-14.7	-95.1	-22.6	0	0	0	108.1
719	G	34.3	Very low	32.4	Very low	67 Å²	67	133.5 Å²	133.5	69%	0.691	77%	0.771	S	S	*	*			trans	121.2	107.4	153.7	0	0	0	0	0	118.6
720	D	33.6	Very low	32.5	Very low	155 Å²	155	133 Å²	133	83%	0.829	77%	0.768	S	S	*	*			trans	26.5	148.4	133.9	-56.8	-23.6	0	0	0	121
721	T	35	Very low	32.5	Very low	113 Å²	113	131.7 Å²	131.7	69%	0.693	76%	0.764	S	S	*	*			cis	-170.9	144.1	43.1	-24.9	0	0	0	0	111.5
722	T	35.3	Very low	32.3	Very low	114 Å²	114	134.9 Å²	134.9	70%	0.699	77%	0.767	S	S	*	*			trans	58.2	150.3	150.8	52.2	0	0	0	0	120.4
723	Q	36.1	Very low	32.5	Very low	150 Å²	150	137 Å²	137	70%	0.701	77%	0.769	S	S	*	*			cis	-160.6	161.7	-4.2	-124.2	171.7	-87.6	0	0	112
724	D	35	Very low	32.1	Very low	137 Å²	137	134.7 Å²	134.7	73%	0.733	76%	0.756	S	S	*	*			trans	64.8	114.3	148.7	-56.9	-20.6	0	0	0	124.3
725	D	27.6	Very low	32.3	Very low	156 Å²	156	135.7 Å²	135.7	83%	0.834	76%	0.755	S	S	*	*			trans	-59.3	-175.5	152.7	-106.7	-46.2	0	0	0	114.4
726	P	38	Very low	32.3	Very low	105 Å²	105	136.4 Å²	136.4	68%	0.682	76%	0.76	S	S	*	*			cis	-138.5	-166.5	-11.6	30.6	-7.2	0	0	0	114.9
727	S	33.3	Very low	32.3	Very low	119 Å²	119	131.9 Å²	131.9	83%	0.832	75%	0.751	S	S	*	*			trans	117.5	164.3	137.4	79	0	0	0	0	119.2
728	M	28	Very low	32.3	Very low	176 Å²	176	135.1 Å²	135.1	87%	0.867	76%	0.758	S	S	*	*			trans	-112.3	171.3	-161.6	-69.5	-176.5	151.3	0	0	114.8
729	N	31.9	Very low	32.3	Very low	129 Å²	129	133.9 Å²	133.9	69%	0.69	75%	0.751	S	S	*	*			trans	107.2	116.1	151.1	-74.9	27.3	0	0	0	119.8
730	D	28	Very low	32.3	Very low	135 Å²	135	133.9 Å²	133.9	72%	0.722	75%	0.751	S	S	*	*			trans	69.7	165.1	131.2	-62.6	-39.5	0	0	0	122.7
731	S	31.3	Very low	32.4	Very low	101 Å²	101	136.8 Å²	136.8	71%	0.706	75%	0.752	S	S	*	*			trans	66.4	111.3	-173.3	63	0	0	0	0	115
732	Q	28.9	Very low	32.4	Very low	179 Å²	179	135.9 Å²	135.9	84%	0.836	75%	0.748	S	S	*	*				62.9	115.5	56.1	-60.6	-173.5	1.7	0	0	114.4
733	Y	32	Very low	32.2	Very low	223 Å²	223	137.1 Å²	137.1	88%	0.875	75%	0.75	S	S	*	*			trans	-174	159.9	142.2	-88.8	-61.5	0	0	0	109.3
734	S	28.4	Very low	32	Very low	81 Å²	81	139.1 Å²	139.1	57%	0.566	76%	0.757	S	S	*	*				-172.9	176.9	-90.7	57.6	0	0	0	0	111.2
735	I	30.9	Very low	31.8	Very low	144 Å²	144	139.7 Å²	139.7	74%	0.738	76%	0.759	S	S	*	*			trans	76.1	145.6	168.8	-47.5	146.8	0	0	0	110.6
736	V	32.4	Very low	31.8	Very low	146 Å²	146	141.6 Å²	141.6	89%	0.885	76%	0.76	S	S	*	*			cis	-119.2	171.7	37.7	-171.4	0	0	0	0	113.9
737	S	30.3	Very low	31.3	Very low	92 Å²	92	148.2 Å²	148.2	64%	0.643	77%	0.771	S	S	*	*			trans	-160.3	126.4	-152.4	52.5	0	0	0	0	112.4
738	D	34.9	Very low	30.9	Very low	150 Å²	150	147.1 Å²	147.1	80%	0.802	76%	0.763	S	S	*	*			trans	-135.5	121.2	161	-97.5	-36.5	0	0	0	108.5
739	N	34.2	Very low	31	Very low	139 Å²	139	149.4 Å²	149.4	74%	0.743	76%	0.764	S	S	*	*				73.9	116.3	72.3	-69.9	-42.1	0	0	0	114.4
740	G	33	Very low	30.7	Very low	67 Å²	67	150.5 Å²	150.5	69%	0.691	77%	0.77	S	S	*	*			cis	165.2	171.8	-11.9	0	0	0	0	0	115.5
741	Y	34.9	Very low	30.7	Very low	217 Å²	217	148.8 Å²	148.8	85%	0.851	77%	0.768	S	S	*	*			trans	77.7	156.8	153.4	-79	-62.4	0	0	0	120.7
742	P	36.6	Very low	30.4	Very low	93 Å²	93	153.2 Å²	153.2	60%	0.604	78%	0.778	S	S	*	*				-144.7	-170.8	-113.9	49.8	-33	0	0	0	118.6
743	N	29.8	Very low	30.4	Very low	141 Å²	141	151.3 Å²	151.3	75%	0.754	77%	0.772	S	S	*	*			trans	61	116.4	146.1	-69.5	-36.6	0	0	0	120.7
744	K	33.3	Very low	30.2	Very low	192 Å²	192	147.4 Å²	147.4	84%	0.835	77%	0.765	S	S	*	*				179.3	155.5	103.2	-102.3	165.4	-175.2	169.6	0	116.8
745	L	30.9	Very low	30.2	Very low	148 Å²	148	149.5 Å²	149.5	78%	0.775	77%	0.774	S	S	*	*			trans	67.5	90.8	146.2	-73.1	163.9	0	0	0	121.5
746	K	26.7	Very low	30.1	Very low	197 Å²	197	151 Å²	151	86%	0.857	78%	0.775	S	S	*	*				12.7	123	125.1	-61.6	-179.1	177.6	-176.5	0	118.2
747	R	28.1	Very low	29.9	Very low	244 Å²	244	150.1 Å²	150.1	92%	0.921	77%	0.77	S	S	*	*				-158	138.8	120.6	-115.1	171.6	-178.8	166.7	0.3	111
748	S	23.9	Very low	29.8	Very low	95 Å²	95	151.6 Å²	151.6	66%	0.664	78%	0.775	S	S	*	*			trans	-94.6	143.3	174.6	52.7	0	0	0	0	110.8
749	Y	30.2	Very low	29.5	Very low	225 Å²	225	148.9 Å²	148.9	88%	0.882	77%	0.766	S	S	*	*			trans	-137.6	136.4	152.2	-102.3	-82.1	0	0	0	109.4
750	N	26	Very low	29.3	Very low	152 Å²	152	150.3 Å²	150.3	81%	0.813	77%	0.773	S	S	*	*			trans	-85	135	178.3	-62.3	-5.8	0	0	0	109.5
751	S	29	Very low	29.3	Very low	99 Å²	99	155.1 Å²	155.1	69%	0.692	78%	0.776	S	S	*	*			trans	-147.1	106.4	155.7	57.5	0	0	0	0	108.5	I753	S751-I753 PolarHBondContact O-N 2.87Å
752	E	25.1	Very low	28.9	Very low	193 Å²	193	147.9 Å²	147.9	90%	0.902	77%	0.767	S	S	*	*			trans	-69.8	96.7	177.6	-65.3	173.8	129.4	0	0	109.7	I754	E752-I754 PolarHBondContact O-N 3.37Å
753	I	28.3	Very low	28.6	Very low	139 Å²	139	149.9 Å²	149.9	71%	0.713	77%	0.773	S	S	*	*			trans	-86.2	106.7	168.8	-61.6	-179.1	0	0	0	107.4	S751 V755	S751-I753 PolarHBondContact O-N 2.87Å; I753-V755 PolarHBondContact O-N 3.12Å
754	I	27.4	Very low	28.7	Very low	141 Å²	141	150.1 Å²	150.1	72%	0.723	77%	0.774	S	S	*	*			trans	-66	97.8	174.6	-57.7	174.5	0	0	0	108.1	E752 K756	E752-I754 PolarHBondContact O-N 3.37Å; I754-K756 VanDerWaalsContact C-N 3.26Å; I754-K756 HydrophobicContact CG2-CG 4.18Å; I754-K756 PolarHBondContact O-N 2.93Å
755	V	28.4	Very low	28.5	Very low	126 Å²	126	148.3 Å²	148.3	76%	0.764	77%	0.769	S	S	*	*			trans	-67.9	88.2	170	-178.3	0	0	0	0	108.2	I753 T757	I753-V755 PolarHBondContact O-N 3.12Å; V755-T757 PolarHBondContact O-N 3.12Å; V755-T757 VanDerWaalsContact O-N 3.12Å
756	K	28	Very low	28.4	Very low	176 Å²	176	146.9 Å²	146.9	77%	0.765	77%	0.766	S	S	*	*			trans	-66.6	108.1	166.8	-74.5	-177.9	178.5	174.7	0	107.8	I754 T758	I754-K756 VanDerWaalsContact C-N 3.26Å; I754-K756 HydrophobicContact CG2-CG 4.18Å; I754-K756 PolarHBondContact O-N 2.93Å; K756-T758 PolarHBondContact O-N 3.48Å
757	T	29.1	Very low	28.4	Very low	127 Å²	127	143.2 Å²	143.2	78%	0.779	75%	0.754	S	S	*	*			trans	-50.5	112	167.8	49	0	0	0	0	109.5	V755	V755-T757 PolarHBondContact O-N 3.12Å; V755-T757 VanDerWaalsContact O-N 3.12Å
758	T	28.4	Very low	28.4	Very low	122 Å²	122	139.1 Å²	139.1	75%	0.748	75%	0.75	S	S	*	*			trans	-61.5	128.8	171.9	38.6	0	0	0	0	109	K756 N760	K756-T758 PolarHBondContact O-N 3.48Å; T758-N760 PolarHBondContact O-N 3Å
759	P	29.4	Very low	28.6	Very low	94 Å²	94	141.7 Å²	141.7	61%	0.61	76%	0.755	S	S	*	*			trans	-66.6	127.4	178.1	-16.9	29.9	0	0	0	110.2	F761	P759-F761 HydrophobicContact CB-CD2 3.87Å; P759-F761 HydrophobicContact CB-CE2 3.66Å; P759-F761 HydrophobicContact CB-CZ 4.39Å; P759-F761 HydrophobicContact CG-CE2 3.99Å; P759-F761 PolarHBondContact O-N 3.05Å
760	N	29.4	Very low	28.2	Very low	168 Å²	168	140.3 Å²	140.3	90%	0.898	75%	0.75	S	S	*	*			trans	-67.9	86.2	162.4	-88	0.3	0	0	0	108.6	T758 G762	T758-N760 PolarHBondContact O-N 3Å; N760-G762 PolarHBondContact O-N 3.46Å
761	F	31.6	Very low	28.3	Very low	168 Å²	168	140.1 Å²	140.1	74%	0.737	75%	0.749	S	S	*	*			trans	-73.4	113.2	159.1	-74.6	-78.3	0	0	0	107.7	P759	P759-F761 HydrophobicContact CB-CD2 3.87Å; P759-F761 HydrophobicContact CB-CE2 3.66Å; P759-F761 HydrophobicContact CB-CZ 4.39Å; P759-F761 HydrophobicContact CG-CE2 3.99Å; P759-F761 PolarHBondContact O-N 3.05Å
762	G	28.4	Very low	28.1	Very low	65 Å²	65	143.4 Å²	143.4	67%	0.67	75%	0.751	S	S	*	*			trans	-66.1	171.2	169.5	0	0	0	0	0	111.9	N760	N760-G762 PolarHBondContact O-N 3.46Å
763	D	29.7	Very low	28.4	Very low	136 Å²	136	143.7 Å²	143.7	73%	0.727	75%	0.749	S	S	*	*	S	Bend	trans	-62.4	147.7	-175	-54.9	-72.8	0	0	0	113.4	H596	H596-D763 IonicContact CE1-OD2 3.36Å
764	D	32.3	Very low	28.2	Very low	146 Å²	146	146.4 Å²	146.4	78%	0.781	76%	0.756	S	S	*	*			trans	59.1	61.7	168.8	-77.9	-4.5	0	0	0	120
765	E	28.9	Very low	28.4	Very low	154 Å²	154	147.6 Å²	147.6	72%	0.72	76%	0.763	S	S	*	*			trans	-94.6	97.8	148	-81.1	-146.8	142.4	0	0	112.7	I767	E765-I767 HydrophobicContact CB-CG1 4.32Å; E765-I767 PolarHBondContact O-N 3.3Å; E765-I767 VanDerWaalsContact O-N 3.12Å
766	V	29	Very low	28.4	Very low	117 Å²	117	148.7 Å²	148.7	71%	0.709	77%	0.765	S	S	*	*			trans	-82.2	83.8	171.8	-176	0	0	0	0	110.6	L768	V766-L768 PolarHBondContact O-N 3.23Å
767	I	27	Very low	28.7	Very low	120 Å²	120	150.7 Å²	150.7	62%	0.615	77%	0.774	S	S	*	*			trans	-72.2	95.4	-178.4	-51.6	-179.2	0	0	0	111.7	E765 L769	E765-I767 HydrophobicContact CB-CG1 4.32Å; E765-I767 PolarHBondContact O-N 3.3Å; E765-I767 VanDerWaalsContact O-N 3.12Å; I767-L769 HydrophobicContact CG2-CD2 3.97Å; I767-L769 HydrophobicContact CG2-CG 4.07Å; I767-L769 PolarHBondContact O-N 3.03Å
768	L	26.5	Very low	28.8	Very low	159 Å²	159	148.4 Å²	148.4	83%	0.832	78%	0.775	S	S	*	*			trans	-75.4	83.8	176.7	-80.9	168.3	0	0	0	113.1	V766 Y770	V766-L768 PolarHBondContact O-N 3.23Å; L768-Y770 PolarHBondContact O-N 2.71Å; L768-Y770 VanDerWaalsContact O-N 3.09Å
769	L	27.9	Very low	28.9	Very low	148 Å²	148	152.5 Å²	152.5	78%	0.775	78%	0.783	S	S	*	*			trans	-74.1	94.2	173.8	-65.3	-179	0	0	0	112.7	I767 N771	I767-L769 HydrophobicContact CG2-CD2 3.97Å; I767-L769 HydrophobicContact CG2-CG 4.07Å; I767-L769 PolarHBondContact O-N 3.03Å; L769-N771 PolarHBondContact O-N 3.13Å
770	Y	22.6	Very low	29.1	Very low	196 Å²	196	157.7 Å²	157.7	77%	0.769	80%	0.796	S	S	*	*			trans	-75.3	105.8	178.3	-176.8	-93.4	0	0	0	113	L768 K772	L768-Y770 PolarHBondContact O-N 2.71Å; L768-Y770 VanDerWaalsContact O-N 3.09Å; Y770-K772 HydrophobicContact CD1-CB 4.1Å; Y770-K772 HydrophobicContact CE1-CB 3.92Å; Y770-K772 HydrophobicContact CE1-CD 4.44Å; Y770-K772 HydrophobicContact CE1-CG 4Å; Y770-K772 PolarHBondContact O-N 2.92Å
771	N	27.2	Very low	29.2	Very low	149 Å²	149	161.3 Å²	161.3	80%	0.797	80%	0.797	S	S	*	*			trans	-86.7	102.3	-177	-157.4	-23.7	0	0	0	112.8	L769 K773	L769-N771 PolarHBondContact O-N 3.13Å; N771-K773 PolarHBondContact O-N 2.96Å; N771-K773 VanDerWaalsContact O-N 3.11Å
772	K	24.6	Very low	29.1	Very low	167 Å²	167	164.9 Å²	164.9	73%	0.726	81%	0.805	S	S	*	*			trans	-86.7	72.1	-163.1	-168.5	170.6	-174.4	172.8	0	114.3	Y770 K774	Y770-K772 HydrophobicContact CD1-CB 4.1Å; Y770-K772 HydrophobicContact CE1-CB 3.92Å; Y770-K772 HydrophobicContact CE1-CD 4.44Å; Y770-K772 HydrophobicContact CE1-CG 4Å; Y770-K772 PolarHBondContact O-N 2.92Å; K772-K774 PolarHBondContact O-N 3.16Å
773	K	31.4	Very low	29.3	Very low	199 Å²	199	170.8 Å²	170.8	87%	0.865	81%	0.813	S	S	*	*			trans	-66.6	121.4	169.1	-82.7	-172.9	174.7	179.4	0	111.3	N771	N771-K773 PolarHBondContact O-N 2.96Å; N771-K773 VanDerWaalsContact O-N 3.11Å
774	K	25.6	Very low	29.3	Very low	197 Å²	197	169.9 Å²	169.9	86%	0.857	81%	0.812	S	S	*	*			trans	-70.8	140.5	173.4	-63.8	173.7	-178.6	171.1	0	110.3	K772	K772-K774 PolarHBondContact O-N 3.16Å
775	N	31.4	Very low	29.2	Very low	165 Å²	165	173.4 Å²	173.4	88%	0.882	82%	0.816	S	S	*	*			trans	-149.2	148.5	145.2	-123.5	-21.6	0	0	0	110.7
776	N	28	Very low	29.3	Very low	149 Å²	149	173.6 Å²	173.6	80%	0.797	82%	0.817	S	S	*	*			trans	-104.3	168.1	-173.2	-80.4	-33	0	0	0	112.1
777	K	35	Very low	29.4	Very low	219 Å²	219	174.2 Å²	174.2	95%	0.952	81%	0.812	S	S	*	*			trans	86.3	134.3	-170.1	-53	164.4	-178.5	179	0	112.2
778	G	31.2	Very low	29.8	Very low	79 Å²	79	176.4 Å²	176.4	81%	0.814	82%	0.82	S	S	*	*			cis	-162.6	151.6	-8.2	0	0	0	0	0	110.7
779	K	29.6	Very low	30.1	Very low	207 Å²	207	177.6 Å²	177.6	90%	0.9	82%	0.818	S	S	*	*			trans	-89.6	161.4	-174.3	-68.4	179.4	178.5	176.1	0	113.2
780	K	32.9	Very low	30.4	Very low	204 Å²	204	175.6 Å²	175.6	89%	0.887	82%	0.817	S	S	*	*			trans	100	131.7	173.1	-64.2	172.2	-179.8	179.1	0	112.5
781	R	31.8	Very low	30.9	Very low	243 Å²	243	173.2 Å²	173.2	92%	0.917	82%	0.816	S	S	*	*			cis	-134.2	162.2	3.5	-92.2	145.1	98.5	168	6.4	111.3
782	R	29.9	Very low	31.2	Very low	243 Å²	243	173.2 Å²	173.2	92%	0.917	82%	0.815	S	S	*	*			trans	-149.5	153.4	166.3	-166.5	177.1	-174.9	-172.9	2.5	108.4
783	K	31.8	Very low	31.6	Very low	190 Å²	190	173.5 Å²	173.5	83%	0.826	82%	0.819	S	S	*	*			trans	68.6	145.9	-163	-47.5	-175.6	177.4	-173.3	0	111.8
784	T	30.2	Very low	31.9	Very low	117 Å²	117	168.3 Å²	168.3	72%	0.718	81%	0.806	S	S	*	*			cis	-146.3	163.6	3.6	-25.4	0	0	0	0	108
785	Y	31	Very low	32.2	Very low	219 Å²	219	165.8 Å²	165.8	86%	0.859	80%	0.801	S	S	*	*				-176.2	134.7	117.7	-111.8	-77	0	0	0	110.9
786	E	31	Very low	32.2	Very low	158 Å²	158	163 Å²	163	74%	0.738	79%	0.794	S	S	*	*			trans	-133.8	151.3	159.1	-158	-175.9	-117.9	0	0	106.4
787	Q	31.7	Very low	32.2	Very low	131 Å²	131	162.7 Å²	162.7	61%	0.612	79%	0.793	S	S	*	*			trans	72.5	130.6	170.7	-53.6	-162.6	23.3	0	0	120
788	Q	34	Very low	32	Very low	166 Å²	166	157.1 Å²	157.1	78%	0.776	78%	0.782	S	S	*	*			trans	67	150.2	150.7	-61.8	167.1	56.9	0	0	120.1
789	K	33.1	Very low	31.9	Very low	183 Å²	183	160.3 Å²	160.3	80%	0.796	78%	0.78	S	S	*	*			cis	-172.3	134.9	-39.6	-157.1	179.8	-178	-178.9	0	106.6
790	S	34.1	Very low	31.8	Very low	107 Å²	107	155.1 Å²	155.1	75%	0.748	77%	0.77	S	S	*	*			trans	67.2	156.4	161.1	85.1	0	0	0	0	116.5
791	I	33.2	Very low	31.7	Very low	146 Å²	146	150.8 Å²	150.8	75%	0.749	77%	0.765	S	S	*	*			cis	-160.3	167.2	-6.4	-129.7	168.9	0	0	0	110.7
792	L	33.3	Very low	31.8	Very low	148 Å²	148	144.7 Å²	144.7	78%	0.775	76%	0.755	S	S	*	*			trans	69.6	92.9	167.7	-79	159	0	0	0	121.2
793	Q	34.5	Very low	31.9	Very low	174 Å²	174	140.9 Å²	140.9	81%	0.813	75%	0.747	S	S	*	*				6.7	164	108.6	-82.4	-171.8	-30.7	0	0	121.5
794	P	37	Very low	32.1	Very low	90 Å²	90	138.2 Å²	138.2	58%	0.584	74%	0.742	S	S	*	*			cis	-147.1	-171.7	-24.7	41.7	-22	0	0	0	116.8
795	D	31	Very low	32.4	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	74%	0.742	S	S	*	*			trans	72.5	106.3	142.5	-66	-20.8	0	0	0	124.8
796	S	30.9	Very low	32.5	Very low	106 Å²	106	137.1 Å²	137.1	74%	0.741	74%	0.74	S	S	*	*				121.9	136.6	108.6	72.8	0	0	0	0	121
797	N	30	Very low	32.5	Very low	144 Å²	144	135.9 Å²	135.9	77%	0.77	74%	0.739	S	S	*	*			trans	63.8	103.7	144.7	-66.7	-9.4	0	0	0	123.5
798	S	29.3	Very low	32.7	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	75%	0.753	S	S	*	*				101.8	130.1	108.4	76	0	0	0	0	122.2
799	N	28.8	Very low	32.5	Very low	147 Å²	147	134.3 Å²	134.3	79%	0.786	75%	0.746	S	S	*	*			trans	78.7	128.3	136.1	-67.9	-3.8	0	0	0	124.6
800	S	29.3	Very low	32.5	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	75%	0.753	S	S	*	*			trans	79.4	116	130.4	62.3	0	0	0	0	123.2
801	S	29.4	Very low	32.3	Very low	112 Å²	112	137.3 Å²	137.3	78%	0.783	75%	0.753	S	S	*	*			trans	68	153.9	136.5	67	0	0	0	0	118.2
802	V	33.7	Very low	32.4	Very low	116 Å²	116	137.5 Å²	137.5	70%	0.703	75%	0.754	S	S	*	*			cis	-144.3	163.5	36.8	166.5	0	0	0	0	112.9
803	Q	32.8	Very low	32.4	Very low	162 Å²	162	137.8 Å²	137.8	76%	0.757	76%	0.756	S	S	*	*			trans	-46.7	161.4	176.6	-54.8	146.4	-70.7	0	0	117.6
804	N	34.8	Very low	32.1	Very low	135 Å²	135	136.9 Å²	136.9	72%	0.722	76%	0.757	S	S	*	*			trans	152.6	142.2	130.7	-79.2	-13.7	0	0	0	111.9
805	H	36.5	Very low	31.9	Very low	156 Å²	156	139.5 Å²	139.5	72%	0.722	77%	0.771	S	S	*	*			cis	-165.4	162.1	-12.9	-137.9	-56.2	0	0	0	110.6
806	L	34.6	Very low	31.7	Very low	156 Å²	156	137.2 Å²	137.2	82%	0.817	77%	0.766	S	S	*	*			trans	98.9	134	154.7	-67.7	157.1	0	0	0	120
807	N	31.2	Very low	31.7	Very low	133 Å²	133	138.9 Å²	138.9	71%	0.711	77%	0.772	S	S	*	*			trans	-114	168.5	-177.9	-56.7	-6.3	0	0	0	110.9
808	T	34.3	Very low	31.5	Very low	148 Å²	148	138.6 Å²	138.6	91%	0.908	77%	0.77	S	S	*	*			trans	-151.7	128.4	135.7	7	0	0	0	0	109.2
809	N	30.5	Very low	31.4	Very low	116 Å²	116	140.4 Å²	140.4	62%	0.62	77%	0.77	S	S	*	*			trans	-108.4	157.3	-179.9	-65.5	10.6	0	0	0	110.5
810	M	33.2	Very low	31.4	Very low	192 Å²	192	141.3 Å²	141.3	95%	0.946	77%	0.767	S	S	*	*			trans	-140.9	152	137.2	-88	-170.6	68.9	0	0	108.5
811	E	30.4	Very low	31.2	Very low	161 Å²	161	142.5 Å²	142.5	75%	0.752	77%	0.774	S	S	*	*			trans	-121.3	-159.8	-163.4	-60.7	169.7	135.8	0	0	111.2
812	I	35.7	Very low	31.2	Very low	149 Å²	149	145.5 Å²	145.5	76%	0.764	78%	0.776	S	S	*	*			trans	82.8	121.7	167.9	-56.6	171.4	0	0	0	113.9
813	D	33.4	Very low	31.1	Very low	155 Å²	155	145.4 Å²	145.4	83%	0.829	78%	0.78	S	S	*	*			cis	-153.2	163.8	-1.4	-116.5	-4.7	0	0	0	112.7
814	D	27.8	Very low	30.8	Very low	154 Å²	154	143.5 Å²	143.5	82%	0.824	78%	0.783	S	S	*	*			trans	-83.7	144.1	178.8	-91.2	-48.7	0	0	0	114.6
815	V	33.3	Very low	30.7	Very low	146 Å²	146	142.6 Å²	142.6	89%	0.885	79%	0.785	S	S	*	*			trans	-138	127.7	143	-178	0	0	0	0	109
816	S	25.9	Very low	30.4	Very low	94 Å²	94	143.8 Å²	143.8	66%	0.657	79%	0.791	S	S	*	*			trans	-96.9	155.7	-174.1	58.6	0	0	0	0	113.7
817	T	30	Very low	30.3	Very low	142 Å²	142	145.8 Å²	145.8	87%	0.871	80%	0.796	S	S	*	*			trans	-143.9	124.2	162.3	-39.7	0	0	0	0	109.4
818	L	27.5	Very low	30.2	Very low	137 Å²	137	147.1 Å²	147.1	72%	0.717	80%	0.802	S	S	*	*			trans	-100	130.7	-171.4	-110	75.3	0	0	0	113.2
819	I	27.3	Very low	30.1	Very low	139 Å²	139	149.6 Å²	149.6	71%	0.713	80%	0.804	S	S	*	*				40.2	114.2	127.9	-56.7	172.9	0	0	0	117.4
820	K	27.6	Very low	30.1	Very low	166 Å²	166	151.5 Å²	151.5	72%	0.722	81%	0.813	S	S	*	*				-168.3	149.4	104.2	-128.9	136.3	-178.1	-169.5	0	115.3
821	C	24.7	Very low	30.2	Very low	123 Å²	123	147.8 Å²	147.8	83%	0.831	81%	0.807	S	S	*	*			trans	-113.6	139.9	154	-61.1	0	0	0	0	107.9
822	E	30.3	Very low	30.4	Very low	176 Å²	176	145.6 Å²	145.6	82%	0.822	81%	0.809	S	S	*	*			trans	-158.9	167.9	164.1	-119.5	152.8	-145.1	0	0	109.9
823	S	30.4	Very low	30.5	Very low	114 Å²	114	143.1 Å²	143.1	80%	0.797	81%	0.811	S	S	*	*			trans	-119.2	158.7	-158.4	56.4	0	0	0	0	115.5
824	C	28	Very low	30.7	Very low	121 Å²	121	142.6 Å²	142.6	82%	0.818	81%	0.808	S	S	*	*			trans	-30.1	148.3	167.3	-61.6	0	0	0	0	115.8
825	P	32.6	Very low	31.1	Very low	116 Å²	116	146 Å²	146	75%	0.753	81%	0.811	S	S	*	*				-148.5	179.1	63.1	42.2	-22.8	0	0	0	119
826	E	29	Very low	31.2	Very low	181 Å²	181	143.6 Å²	143.6	85%	0.846	80%	0.8	S	S	*	*			trans	-7.2	134.7	161.9	-55.2	168.5	133.1	0	0	120.1
827	Q	32.5	Very low	31.7	Very low	199 Å²	199	144.3 Å²	144.3	93%	0.93	81%	0.806	S	S	*	*				-162.1	159.7	115.4	-109.9	172.9	-7.2	0	0	113.1
828	L	28.7	Very low	32	Very low	160 Å²	160	142.2 Å²	142.2	84%	0.838	80%	0.797	S	S	*	*			trans	-97.5	151	178	-68.1	147.5	0	0	0	110.6
829	E	33.8	Very low	32.5	Very low	201 Å²	201	145 Å²	145	94%	0.939	80%	0.803	S	S	*	*			trans	-155.7	156.5	136	-76.7	-146.5	144	0	0	109.9
830	D	30.9	Very low	33	Very low	155 Å²	155	145.3 Å²	145.3	83%	0.829	81%	0.807	S	S	*	*			trans	-103.7	156.6	-167.1	-72.8	-63.4	0	0	0	115.1
831	S	34.9	Very low	33.5	Very low	115 Å²	115	141.7 Å²	141.7	80%	0.804	81%	0.807	S	S	*	*			trans	180	152.4	146.6	35.4	0	0	0	0	112.1
832	S	34.5	Very low	34.2	Very low	115 Å²	115	141.9 Å²	141.9	80%	0.804	81%	0.807	S	S	*	*			cis	-176.7	128.4	-27.8	51.6	0	0	0	0	109.4
833	A	37.1	Very low	35	Very low	97 Å²	97	139.2 Å²	139.2	80%	0.802	81%	0.805	S	S	*	*			trans	-170.8	104.2	160.4	0	0	0	0	0	114.1
834	D	37	Very low	35.5	Very low	144 Å²	144	140.3 Å²	140.3	77%	0.77	81%	0.807	S	S	*	*			trans	22.5	130.6	141.8	-49.4	-29.4	0	0	0	122.2
835	Y	36.9	Very low	36	Very low	226 Å²	226	142.5 Å²	142.5	89%	0.886	81%	0.805	S	S	*	*				-161	162.6	86.4	-115.2	-89	0	0	0	113.5
836	S	35.7	Very low	36.1	Very low	94 Å²	94	141.1 Å²	141.1	66%	0.657	80%	0.798	S	S	*	*			trans	-88.5	146.7	-155.8	56.9	0	0	0	0	118.7
837	S	36.7	Very low	36.5	Very low	110 Å²	110	136.6 Å²	136.6	77%	0.769	79%	0.786	S	S	*	*				154.1	107.4	117.9	55.8	0	0	0	0	111.7
838	S	36.3	Very low	36.8	Very low	98 Å²	98	133.2 Å²	133.2	69%	0.685	78%	0.78	S	S	*	*				90.5	106.9	52.3	71.3	0	0	0	0	115.3
839	F	38	Very low	37.2	Very low	194 Å²	194	132.2 Å²	132.2	85%	0.851	78%	0.775	S	S	*	*			trans	-163.8	97.9	140.7	-110.6	-66.9	0	0	0	114
840	N	37.8	Very low	37.2	Very low	147 Å²	147	127.6 Å²	127.6	79%	0.786	77%	0.765	S	S	*	*			trans	46.5	137.6	148	-58.5	-7.7	0	0	0	124.4
841	A	37.4	Very low	37.5	Very low	89 Å²	89	124.4 Å²	124.4	74%	0.736	76%	0.76	S	S	*	*			trans	-104.3	-154.5	164.8	0	0	0	0	0	110.4
842	P	39	Very low	37.4	Very low	127 Å²	127	124.3 Å²	124.3	83%	0.825	76%	0.759	S	S	*	*			cis	-143.4	174.5	44.3	40.3	-19.4	0	0	0	118.1
843	P	47.9	Very low	37.5	Very low	120 Å²	120	128.5 Å²	128.5	78%	0.779	76%	0.763	S	S	*	*			trans	-119.4	177.8	176.9	43.1	-33.1	0	0	0	115.6
844	V	40.3	Very low	37.4	Very low	138 Å²	138	133.6 Å²	133.6	84%	0.836	77%	0.767	S	S	*	*			trans	-169.8	144.2	170	120	0	0	0	0	108.7
845	E	38.4	Very low	37.2	Very low	166 Å²	166	136.9 Å²	136.9	78%	0.776	78%	0.775	S	S	*	*			cis	-157.2	-122.2	-11.2	-152.4	-146.9	-115.2	0	0	115.4
846	S	35.7	Very low	37.1	Very low	87 Å²	87	136 Å²	136	61%	0.608	78%	0.776	S	S	*	*			trans	-103.4	-170	-162.2	73.5	0	0	0	0	115.9
847	S	37.8	Very low	36.9	Very low	86 Å²	86	143 Å²	143	60%	0.601	79%	0.788	S	S	*	*			cis	-164.1	138.7	3.8	18.5	0	0	0	0	113.6
848	T	38	Very low	36.9	Very low	129 Å²	129	144 Å²	144	79%	0.791	79%	0.791	S	S	*	*			trans	58.6	160.8	144.9	71.7	0	0	0	0	121.1
849	N	37	Very low	36.8	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	80%	0.795	S	S	*	*			cis	-154.8	153.2	-2.7	-138.5	-26	0	0	0	115.3
850	S	34.5	Very low	36.7	Very low	104 Å²	104	145.9 Å²	145.9	73%	0.727	80%	0.797	S	S	*	*			trans	65.5	141.6	143.8	72.9	0	0	0	0	125.4
851	A	37	Very low	36.5	Very low	87 Å²	87	148 Å²	148	72%	0.719	80%	0.799	S	S	*	*			trans	98.1	76.5	139.8	0	0	0	0	0	123.6
852	S	32.1	Very low	36.2	Very low	113 Å²	113	153.6 Å²	153.6	79%	0.79	81%	0.807	S	S	*	*				66.8	105.7	118.6	-58.3	0	0	0	0	123.4
853	K	36.7	Very low	36	Very low	204 Å²	204	156.6 Å²	156.6	89%	0.887	81%	0.807	S	S	*	*				-168.1	119.1	124.9	-106.2	152.4	-171.3	167.8	0	116.5
854	K	36.3	Very low	35.1	Very low	204 Å²	204	159.7 Å²	159.7	89%	0.887	81%	0.811	S	S	*	*			trans	43.8	113.5	150.5	-65	-173	175.3	-177.5	0	121.1
855	K	31.3	Very low	34.7	Very low	213 Å²	213	162.1 Å²	162.1	93%	0.926	81%	0.811	S	S	*	*			trans	-59	142.4	166.9	-59.7	175.7	178.2	178.7	0	113.4
856	K	35.3	Very low	34.2	Very low	208 Å²	208	165.4 Å²	165.4	90%	0.904	82%	0.816	S	S	*	*			trans	-140.1	141.5	151.3	-86.1	-169.5	174.6	-178.3	0	109.8
857	R	32.1	Very low	34	Very low	241 Å²	241	167.7 Å²	167.7	91%	0.909	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-73.6	139.1	-179.2	-69.4	175	169.5	169.2	-5.8	111.4
858	P	35.7	Very low	33.8	Very low	129 Å²	129	168.6 Å²	168.6	84%	0.838	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-80	129.3	168.8	31.8	-32.1	0	0	0	111.1
859	V	33.8	Very low	33.5	Very low	128 Å²	128	173.8 Å²	173.8	78%	0.776	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-88.7	126.5	169.2	175.3	0	0	0	0	108.6	K861	V859-K861 PolarHBondContact O-N 3.5Å
860	K	37.2	Very low	33.7	Very low	205 Å²	205	173.1 Å²	173.1	89%	0.891	84%	0.841	S	S	*	*			trans	-66.5	98.1	170.6	-75.9	-174.8	176.2	-180	0	109.4
861	K	34.1	Very low	33.9	Very low	192 Å²	192	178 Å²	178	84%	0.835	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-72.6	133.7	168	-76.2	-171.6	173.2	-173.8	0	109.8	V859	V859-K861 PolarHBondContact O-N 3.5Å
862	F	29.2	Very low	33.5	Very low	205 Å²	205	183.1 Å²	183.1	90%	0.899	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-60.4	141.4	160.9	-87.8	-109.4	0	0	0	109.7
863	K	34.7	Very low	33.8	Very low	190 Å²	190	189.9 Å²	189.9	83%	0.826	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-97.6	116.8	162.6	-86.1	-173.9	172.5	-177.8	0	108.3
864	E	30.9	Very low	33.7	Very low	185 Å²	185	189.2 Å²	189.2	86%	0.864	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-70.7	128.4	161.6	-64.2	179.9	119.1	0	0	109
865	F	30	Very low	33.6	Very low	190 Å²	190	188.4 Å²	188.4	83%	0.833	88%	0.876	S	S	*	*			trans	-90.2	103.9	167.7	-100.9	-87.9	0	0	0	109.5
866	R	28.8	Very low	33.7	Very low	234 Å²	234	187.1 Å²	187.1	88%	0.883	87%	0.873	S	S	*	*			trans	-97.7	101.5	176.7	-143.2	177	-167.6	172	4.7	108.9	S868	R866-S868 PolarHBondContact O-N 2.66Å
867	V	32.3	Very low	33.6	Very low	136 Å²	136	185.8 Å²	185.8	82%	0.824	87%	0.871	S	S	*	*			trans	-79.7	110.1	179	-179.4	0	0	0	0	109.8
868	S	33.1	Very low	33.7	Very low	105 Å²	105	182.4 Å²	182.4	73%	0.734	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-91.5	121.8	174.6	51.8	0	0	0	0	111.1	R866	R866-S868 PolarHBondContact O-N 2.66Å
869	R	31.5	Very low	33.5	Very low	238 Å²	238	185.9 Å²	185.9	90%	0.898	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-66.1	137.6	171	-67.2	-178.6	176.3	-176.2	-2.4	110.8
870	P	41.7	Very low	33.5	Very low	125 Å²	125	190.1 Å²	190.1	81%	0.812	88%	0.878	S	S	*	*	P	Polyproline II helix	trans	-67.7	154	158.2	31.2	-33	0	0	0	110
871	K	38.5	Very low	33.2	Very low	206 Å²	206	188.9 Å²	188.9	90%	0.896	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-93.2	156	169.7	-73	-176.6	175.9	-178.4	0	109.9
872	H	28.9	Very low	33.2	Very low	194 Å²	194	188.7 Å²	188.7	90%	0.898	88%	0.88	S	S	*	*	P	Polyproline II helix	trans	-57.1	141.5	164.6	-79.5	-80.8	0	0	0	111.6
873	Q	38.4	Very low	33.5	Very low	256 Å²	256	187.2 Å²	187.2	100%	1.196	88%	0.879	S	S	*	*			trans	-136	0	131.9	-164.8	164.7	13.5	0	0	107.9

Retrieved 873 of 873 residues in 151.5 ms (Link to these results)

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