A0A3Q0KBA5_SCHMA Loading...

Smr domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KBA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,032 aa.

						>A0A3Q0KBA5_SCHMA|A0A3Q0KBA5
MVSEFFAPRCIVPQKPRVQINLFPHSPEIVRLKNVIYEAHNSQWGARFLVLLRGLPGSGKSTLGRFLVDKLDQRNVVIASNDDYFYDEVEQIYKYNNTELNEAIAACKQKVWSSMCNGVSVIIVDNCNLTRLEMDPFIREGVKRNYCVHLLEPCTTWRYNAKKLVKLTHHTNISLTEINEMLTTFERALNIETILSQICLPSSSSPSLSSSMLLSNVNSSNHNSTSDISFNAISGTNDISTSNNSNELNEHVCHYTTNDDDNNLSSSSNSTSCRSNNNIDNSAIRTAVTTVNFDELDPQDENWTTPTGSMEALNINHVVSGESISQDSSNSSGIMNKSPLVQQPSTSQTKLGELMAIFPNLKSNVLEEFLSLAHDNVSWATTLILDNHTSERINQKIEQNPNLVENNLFLCKSTVSQTSEHPSTEVTEAALDPAPLSPATCAPSFSNVSEDDTTNLSQTTLSSVKESQSENQIDRTFSHQHGIRFSRSFLQTAHEEYAFSFGLSDIDISPDAIPDFIIDEWTPEPNLIKEIYASFMRHLGVLSNSTTNLLTPKFPPLNTRNPNQNTKKTTVTLSTNVTSKRSFSKFLQIMDDEEGLLRSVEDFRTSLNTPVIRLILNRLMSKFPGTQKNVVEEAFVRCEFDEARTEVYLLTYYKSTIESVTKSTTTTTSTITSNLSSIQCPNSMLTLNQQSVNSTLLSNNSNNNLIGLDYHQTTGENLSLQEIQDEEEALNRSIEDQKDRLLTLANQLCLSRLKAQFPEIEINYLENLFIRFDLDEQNLSDYLIKQGFTTHSLNPFLVETVNKYIENVDNNDSRASPVSSSQGYVTDFINNSIDNTDWLNLINQKIASIRQKIGQMKNNLSYSKDNRVKQFQITEVCVSFVCLFLWFFFLVLIRSLQSQLHYLELQKAEYLVDTRSSLYEDELLTNGEKPIHSACLAFAYLDLHGLSKSCALHVLQQRLTYLKDKLNRLKSLKYITVITGRAAGNESDLVSIAPVLRPAVIQYLLRNGYKFEENFRVGSGHFTVNLNNSKLK
					

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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	31.9	Very low	28.9	Very low	240 Å²	240	151.2 Å²	151.2	100%	1.182	79%	0.79	S	S	*	*				0	125.2	0	-70.4	170	168.7	0	0	107.8
2	V	30.4	Very low	29.2	Very low	94 Å²	94	146.4 Å²	146.4	57%	0.57	77%	0.772	S	S	*	*			cis	-144.9	105.4	-30.9	180	0	0	0	0	102	E4	V2-E4 HydrophobicContact CG1-CB 4.15Å; V2-E4 PolarHBondContact O-N 3.44Å
3	S	26.4	Very low	29.2	Very low	123 Å²	123	142 Å²	142	86%	0.86	76%	0.757	S	S	*	*				50.1	23.2	81.4	74.4	0	0	0	0	116.7
4	E	28	Very low	29.2	Very low	155 Å²	155	142.9 Å²	142.9	72%	0.724	75%	0.754	S	S	*	*			trans	-150.3	97.5	173.3	-108.8	159	-155.9	0	0	111.5	V2	V2-E4 HydrophobicContact CG1-CB 4.15Å; V2-E4 PolarHBondContact O-N 3.44Å
5	F	30.6	Very low	29.2	Very low	219 Å²	219	146.1 Å²	146.1	96%	0.961	76%	0.76	S	S	*	*			trans	-167	52.3	156.9	-104.9	-63.1	0	0	0	110.6	A7	F5-A7 PolarHBondContact O-N 3.05Å
6	F	27.8	Very low	29.2	Very low	210 Å²	210	144.9 Å²	144.9	92%	0.921	76%	0.763	S	S	*	*			trans	-79.2	104.5	163.6	-93.8	-85.1	0	0	0	108.4
7	A	29.8	Very low	29.2	Very low	86 Å²	86	148.1 Å²	148.1	71%	0.711	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-62.9	141.9	167.5	0	0	0	0	0	110	F5	F5-A7 PolarHBondContact O-N 3.05Å
8	P	29	Very low	29.1	Very low	107 Å²	107	146.7 Å²	146.7	70%	0.695	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-67.9	159.8	-176.8	28.6	-34.9	0	0	0	112.1
9	R	27.7	Very low	29.3	Very low	211 Å²	211	146.6 Å²	146.6	80%	0.796	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-79.1	121.3	172.8	-69.4	170.6	167.9	167.8	-7.5	109.3	I11	R9-I11 VanDerWaalsContact C-N 3.34Å; R9-I11 HydrophobicContact CB-CD1 4.39Å; R9-I11 HydrophobicContact CB-CG1 3.96Å; R9-I11 PolarHBondContact O-N 3.13Å
10	C	28.6	Very low	29.8	Very low	94 Å²	94	145.7 Å²	145.7	64%	0.635	75%	0.752	S	S	*	*			trans	-66.9	90.7	166	-54.1	0	0	0	0	109.6	V12 E88	C10-V12 PolarHBondContact O-N 3.22Å; C10-E88 PolarHBondContact SG-OE1 3.36Å
11	I	27.8	Very low	30.3	Very low	124 Å²	124	144.3 Å²	144.3	64%	0.636	75%	0.746	S	S	*	*			trans	-89.8	88	177.8	-59.9	172.8	0	0	0	108.3	R9	R9-I11 VanDerWaalsContact C-N 3.34Å; R9-I11 HydrophobicContact CB-CD1 4.39Å; R9-I11 HydrophobicContact CB-CG1 3.96Å; R9-I11 PolarHBondContact O-N 3.13Å
12	V	32	Very low	30.9	Very low	94 Å²	94	136 Å²	136	57%	0.57	71%	0.707	S	S	*	*			trans	-62.2	131.1	171.7	-176.8	0	0	0	0	109.3	C10 Q14	C10-V12 PolarHBondContact O-N 3.22Å; V12-Q14 PolarHBondContact O-N 3.37Å
13	P	30.1	Very low	32.1	Very low	89 Å²	89	136.6 Å²	136.6	58%	0.578	70%	0.701	S	S	*	*			trans	-58.2	120.3	-174.5	-28.6	35.9	0	0	0	114.1	K15 Q91	P13-K15 PolarHBondContact O-N 3.23Å; P13-Q91 VanDerWaalsContact CD-OE1 3.29Å
14	Q	29	Very low	33.9	Very low	155 Å²	155	134.9 Å²	134.9	72%	0.724	69%	0.687	S	S	*	*			trans	-77.3	103.9	177.4	-66.8	-176.5	34.2	0	0	111.1	V12	V12-Q14 PolarHBondContact O-N 3.37Å
15	K	28.7	Very low	36.3	Very low	191 Å²	191	130 Å²	130	83%	0.83	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-66	148.8	153.7	-95.2	-176.3	174.6	176.6	0	109.7	P13	P13-K15 PolarHBondContact O-N 3.23Å
16	P	30.1	Very low	38.8	Very low	126 Å²	126	120.7 Å²	120.7	82%	0.818	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-64.2	148.8	-169.6	24.2	-33.7	0	0	0	113.5
17	R	28.6	Very low	41.4	Very low	199 Å²	199	114.5 Å²	114.5	75%	0.751	61%	0.607	S	S	*	*	P	Polyproline II helix	trans	-80.8	116.8	-163.5	-59.5	170.2	-179.5	171.8	-3.3	113.6
18	V	27.9	Very low	44.1	Very low	124 Å²	124	117 Å²	117	75%	0.752	60%	0.604	S	S	*	*			trans	-144.7	152.8	153.4	-154	0	0	0	0	108.8	I20	V18-I20 PolarHBondContact O-N 2.7Å
19	Q	31.6	Very low	47.1	Very low	145 Å²	145	112 Å²	112	68%	0.678	57%	0.572	S	S	*	*			trans	67	19.1	168	-52.7	-169.7	-7.2	0	0	120.3	N21 L22	Q19-N21 VanDerWaalsContact C-N 3.33Å; Q19-N21 PolarHBondContact O-N 3.27Å; Q19-L22 HydrophobicContact CB-CD1 4.38Å
20	I	40.7	Very low	50.1	Low	127 Å²	127	104.8 Å²	104.8	65%	0.651	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.6	-23.5	-176.6	-64.9	177.4	0	0	0	114.6	V18	V18-I20 PolarHBondContact O-N 2.7Å
21	N	39.2	Very low	53	Low	118 Å²	118	104.8 Å²	104.8	63%	0.631	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	17.9	-176	-67.4	-0.4	0	0	0	114.6	Q19 F23 N830	Q19-N21 VanDerWaalsContact C-N 3.33Å; Q19-N21 PolarHBondContact O-N 3.27Å; N21-F23 VanDerWaalsContact C-N 3.27Å; N21-F23 PolarHBondContact O-N 2.75Å; N21-N830 PolarHBondContact O-ND2 3.12Å; N21-N830 VanDerWaalsContact O-ND2 3.11Å
22	L	46	Very low	56.1	Low	66 Å²	66	99.4 Å²	99.4	35%	0.346	51%	0.51	S	S	.	.			trans	-74.7	0.2	-159.6	-138.5	73.6	0	0	0	117	Q19 N830	Q19-L22 HydrophobicContact CB-CD1 4.38Å; L22-N830 WeakPolarHBondContact CA-ND2 3.48Å; L22-N830 PolarHBondContact O-ND2 2.77Å
23	F	55.2	Low	59.1	Low	105 Å²	105	95.9 Å²	95.9	46%	0.461	49%	0.487	S	S	.	.	S	Bend	trans	-126.8	133.7	-176	-60.4	-69.1	0	0	0	112.9	N21 H25 W157	N21-F23 VanDerWaalsContact C-N 3.27Å; N21-F23 PolarHBondContact O-N 2.75Å; F23-H25 PolarHBondContact O-N 3.35Å; F23-W157 HydrophobicContact CD1-CH2 4Å; F23-W157 HydrophobicContact CD1-CZ3 4.05Å; F23-W157 HydrophobicContact CD2-CH2 4.26Å; F23-W157 AromaticContact CE1-CH2 3.61Å; F23-W157 HydrophobicContact CE1-CH2 3.61Å; F23-W157 AromaticContact CE1-CZ3 3.6Å; F23-W157 HydrophobicContact CE1-CZ3 3.6Å; F23-W157 AromaticContact CE2-CH2 3.89Å; F23-W157 HydrophobicContact CE2-CH2 3.89Å; F23-W157 HydrophobicContact CG-CH2 4.32Å; F23-W157 AromaticContact CZ-CH2 3.55Å; F23-W157 HydrophobicContact CZ-CH2 3.55Å; F23-W157 AromaticContact CZ-CZ3 3.96Å; F23-W157 HydrophobicContact CZ-CZ3 3.96Å
24	P	63.9	Low	62	Low	87 Å²	87	95.5 Å²	95.5	57%	0.565	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-69.6	125.4	175.8	28.2	-33.5	0	0	0	111
25	H	78.2	Confident	65.1	Low	52 Å²	52	91.3 Å²	91.3	24%	0.241	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-83.6	154.9	168.7	-65.5	-74.3	0	0	0	110.5	F23 I29 V30 F66	F23-H25 PolarHBondContact O-N 3.35Å; H25-I29 HydrophobicContact CB-CB 4.1Å; H25-I29 HydrophobicContact CB-CG2 3.72Å; H25-V30 HydrophobicContact CB-CG2 4.17Å; H25-F66 HydrophobicContact CB-CE1 4.46Å; H25-F66 AromaticContact CD2-CD1 3.75Å; H25-F66 AromaticContact CD2-CD2 3.85Å; H25-F66 AromaticContact CD2-CE1 3.59Å; H25-F66 AromaticContact CD2-CE2 3.68Å; H25-F66 AromaticContact CD2-CG 3.88Å; H25-F66 AromaticContact CD2-CZ 3.55Å; H25-F66 AromaticContact CE1-CD1 3.99Å; H25-F66 AromaticContact CE1-CG 3.98Å; H25-F66 AromaticContact CG-CE1 3.96Å; H25-F66 AromaticContact NE2-CD1 3.64Å; H25-F66 AromaticContact NE2-CD2 3.54Å; H25-F66 AromaticContact NE2-CE1 3.99Å; H25-F66 AromaticContact NE2-CE2 3.89Å; H25-F66 AromaticContact NE2-CG 3.4Å; H25-F66 WeakPolarHBondContact NE2-CG 3.27Å
26	S	82.1	Confident	68.2	Low	25 Å²	25	82.2 Å²	82.2	18%	0.175	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-63.3	154.3	175	68.3	0	0	0	0	111.7	E28 I29 V30 C154	S26-E28 PolarHBondContact O-N 2.97Å; S26-E28 VanDerWaalsContact O-N 3.13Å; S26-I29 PolarHBondContact O-N 3.04Å; S26-I29 VanDerWaalsContact O-N 3.07Å; S26-I29 WeakPolarHBondContact OG-CG1 3.43Å; S26-I29 PolarHBondContact OG-N 3.13Å; S26-V30 PolarHBondContact O-N 3.43Å; S26-V30 VanDerWaalsContact O-N 3.11Å; S26-C154 PolarHBondContact N-SG 2.84Å; S26-C154 VanDerWaalsContact N-SG 3.42Å
27	P	83.5	Confident	71.2	Confident	79 Å²	79	80.7 Å²	80.7	51%	0.513	40%	0.404	S	S	.	.	H	α-helix	trans	-53.7	-31.9	173	-27.4	35.7	0	0	0	112.9	V30 R31	P27-V30 PolarHBondContact O-N 2.81Å; P27-R31 VanDerWaalsContact O-CB 3.25Å; P27-R31 WeakPolarHBondContact O-CB 3.44Å; P27-R31 WeakPolarHBondContact O-CD 3.19Å; P27-R31 WeakPolarHBondContact O-CG 3.39Å; P27-R31 PolarHBondContact O-N 3.37Å
28	E	85.5	Confident	74.2	Confident	139 Å²	139	76.6 Å²	76.6	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-65.5	-45	176.7	-55.7	175.8	131	0	0	112.6	S26 V30 R31 L32	S26-E28 PolarHBondContact O-N 2.97Å; S26-E28 VanDerWaalsContact O-N 3.13Å; E28-V30 VanDerWaalsContact C-N 3.34Å; E28-R31 PolarHBondContact O-N 2.96Å; E28-L32 WeakPolarHBondContact O-CB 3.31Å; E28-L32 PolarHBondContact O-N 3.33Å
29	I	91.9	Very high	77.2	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-42.1	176.2	-72.3	165.3	0	0	0	110.4	H25 S26 L32 K33 L63 F66 L67 L151	H25-I29 HydrophobicContact CB-CB 4.1Å; H25-I29 HydrophobicContact CB-CG2 3.72Å; S26-I29 PolarHBondContact O-N 3.04Å; S26-I29 VanDerWaalsContact O-N 3.07Å; S26-I29 WeakPolarHBondContact OG-CG1 3.43Å; S26-I29 PolarHBondContact OG-N 3.13Å; I29-L32 PolarHBondContact O-N 2.86Å; I29-K33 WeakPolarHBondContact O-CB 3.07Å; I29-K33 PolarHBondContact O-N 3.45Å; I29-L63 HydrophobicContact CB-CD1 4.44Å; I29-L63 HydrophobicContact CD1-CD1 3.87Å; I29-L63 HydrophobicContact CD1-CD2 4.03Å; I29-L63 HydrophobicContact CG1-CD1 4.15Å; I29-L63 HydrophobicContact CG2-CD1 3.44Å; I29-L63 VanDerWaalsContact CG2-CD1 3.44Å; I29-F66 HydrophobicContact CG2-CD1 4.19Å; I29-F66 HydrophobicContact CG2-CE1 3.96Å; I29-L67 HydrophobicContact CG2-CD2 4.26Å; I29-L151 HydrophobicContact CG1-CD1 4.45Å; I29-L151 HydrophobicContact CG1-CD2 4.15Å
30	V	90.8	Very high	80	Confident	59 Å²	59	66.5 Å²	66.5	36%	0.358	34%	0.34	S	S	.	.	H	α-helix	trans	-67.4	-45.7	178	178.9	0	0	0	0	111.1	H25 S26 P27 E28 L32 K33 N34	H25-V30 HydrophobicContact CB-CG2 4.17Å; S26-V30 PolarHBondContact O-N 3.43Å; S26-V30 VanDerWaalsContact O-N 3.11Å; P27-V30 PolarHBondContact O-N 2.81Å; E28-V30 VanDerWaalsContact C-N 3.34Å; V30-L32 VanDerWaalsContact C-N 3.34Å; V30-L32 PolarHBondContact O-N 3.08Å; V30-K33 PolarHBondContact O-N 3.19Å; V30-N34 PolarHBondContact O-N 3.29Å; V30-N34 PolarHBondContact O-OD1 3.37Å
31	R	90.9	Very high	82.3	Confident	93 Å²	93	64.5 Å²	64.5	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-58.6	-43.6	174.5	-74.4	165.2	178.6	-179.1	-2.2	111.4	P27 E28 N34 V35 D913	P27-R31 VanDerWaalsContact O-CB 3.25Å; P27-R31 WeakPolarHBondContact O-CB 3.44Å; P27-R31 WeakPolarHBondContact O-CD 3.19Å; P27-R31 WeakPolarHBondContact O-CG 3.39Å; P27-R31 PolarHBondContact O-N 3.37Å; E28-R31 PolarHBondContact O-N 2.96Å; R31-N34 PolarHBondContact O-N 3.37Å; R31-V35 WeakPolarHBondContact O-CG2 3.4Å; R31-V35 PolarHBondContact O-N 3.12Å; R31-D913 IonicContact CZ-OD2 3.61Å; R31-D913 IonicContact NH2-OD1 3.44Å; R31-D913 PolarHBondContact NH2-OD1 2.8Å; R31-D913 IonicContact NH2-OD2 3.79Å; R31-D913 PolarHBondContact NH2-OD2 3.5Å
32	L	92.8	Very high	84.7	Confident	12 Å²	12	61.9 Å²	61.9	6%	0.063	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-41.3	177.5	179.7	58.1	0	0	0	112.5	E28 I29 V30 N34 V35 I36 F48 H149 L151	E28-L32 WeakPolarHBondContact O-CB 3.31Å; E28-L32 PolarHBondContact O-N 3.33Å; I29-L32 PolarHBondContact O-N 2.86Å; V30-L32 VanDerWaalsContact C-N 3.34Å; V30-L32 PolarHBondContact O-N 3.08Å; L32-N34 VanDerWaalsContact C-N 3.29Å; L32-N34 PolarHBondContact O-N 3.25Å; L32-V35 PolarHBondContact O-N 2.92Å; L32-I36 HydrophobicContact CD1-CD1 3.92Å; L32-I36 HydrophobicContact CD1-CG1 4.06Å; L32-I36 HydrophobicContact CG-CD1 3.89Å; L32-I36 HydrophobicContact CG-CG1 4.45Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 3.42Å; L32-F48 HydrophobicContact CD1-CD1 4.39Å; L32-H149 HydrophobicContact CD2-CB 3.86Å; L32-L151 HydrophobicContact CD2-CD1 3.88Å; L32-L151 HydrophobicContact CD2-CD2 4.04Å; L32-L151 HydrophobicContact CD2-CG 4.34Å
33	K	93.6	Very high	86.5	Confident	19 Å²	19	67.5 Å²	67.5	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-56.7	-44.1	173.1	-179.9	170.7	176	164.1	0	111.6	I29 V30 I36 Y37 F66 L67 D69	I29-K33 WeakPolarHBondContact O-CB 3.07Å; I29-K33 PolarHBondContact O-N 3.45Å; V30-K33 PolarHBondContact O-N 3.19Å; K33-I36 PolarHBondContact O-N 3.38Å; K33-Y37 WeakPolarHBondContact O-CB 3.4Å; K33-Y37 PolarHBondContact O-N 3.46Å; K33-F66 HydrophobicContact CB-CE1 4.45Å; K33-F66 HydrophobicContact CD-CD1 3.9Å; K33-F66 HydrophobicContact CD-CE1 3.38Å; K33-F66 HydrophobicContact CD-CE2 4.16Å; K33-F66 HydrophobicContact CD-CG 4.48Å; K33-F66 HydrophobicContact CD-CZ 3.54Å; K33-F66 WeakPolarHBondContact CD-O 3.36Å; K33-F66 WeakPolarHBondContact CE-O 3.39Å; K33-F66 VanDerWaalsContact NZ-CE2 3.25Å; K33-F66 PolarHBondContact NZ-O 2.86Å; K33-L67 HydrophobicContact CB-CD2 4.15Å; K33-D69 WeakPolarHBondContact CE-OD1 3.24Å; K33-D69 IonicContact NZ-OD1 3.63Å; K33-D69 PolarHBondContact NZ-OD1 2.99Å; K33-D69 IonicContact NZ-OD2 2.78Å; K33-D69 PolarHBondContact NZ-OD2 2.82Å
34	N	92.8	Very high	88.1	Confident	82 Å²	82	64.7 Å²	64.7	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-64.5	-46.2	177.4	-68.5	-2.4	0	0	0	111.5	V30 R31 L32 I36 Y37 E38	V30-N34 PolarHBondContact O-N 3.29Å; V30-N34 PolarHBondContact O-OD1 3.37Å; R31-N34 PolarHBondContact O-N 3.37Å; L32-N34 VanDerWaalsContact C-N 3.29Å; L32-N34 PolarHBondContact O-N 3.25Å; N34-I36 VanDerWaalsContact C-N 3.32Å; N34-I36 PolarHBondContact O-N 2.88Å; N34-Y37 CarbonylContact O-C 3.59Å; N34-Y37 PolarHBondContact O-N 3.29Å; N34-Y37 VanDerWaalsContact O-N 3.12Å; N34-E38 WeakPolarHBondContact O-CB 3.33Å; N34-E38 WeakPolarHBondContact O-CG 3.43Å; N34-E38 PolarHBondContact O-N 3.45Å
35	V	93.2	Very high	88.9	Confident	67 Å²	67	62.6 Å²	62.6	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-59.6	-39.4	176.4	168.7	0	0	0	0	112.5	R31 L32 A39 F48	R31-V35 WeakPolarHBondContact O-CG2 3.4Å; R31-V35 PolarHBondContact O-N 3.12Å; L32-V35 PolarHBondContact O-N 2.92Å; V35-A39 WeakPolarHBondContact O-CB 3.4Å; V35-A39 PolarHBondContact O-N 3.46Å; V35-F48 HydrophobicContact CG1-CE1 3.89Å; V35-F48 HydrophobicContact CG1-CZ 3.95Å
36	I	93.6	Very high	89.4	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-39.3	175.8	-67.3	170.1	0	0	0	111	L32 K33 N34 A39 H40 W44 F48 V50 L71 V121	L32-I36 HydrophobicContact CD1-CD1 3.92Å; L32-I36 HydrophobicContact CD1-CG1 4.06Å; L32-I36 HydrophobicContact CG-CD1 3.89Å; L32-I36 HydrophobicContact CG-CG1 4.45Å; L32-I36 WeakPolarHBondContact O-CG1 3.39Å; L32-I36 PolarHBondContact O-N 3.42Å; K33-I36 PolarHBondContact O-N 3.38Å; N34-I36 VanDerWaalsContact C-N 3.32Å; N34-I36 PolarHBondContact O-N 2.88Å; I36-A39 PolarHBondContact O-N 3.4Å; I36-H40 WeakPolarHBondContact O-CB 3.35Å; I36-H40 PolarHBondContact O-N 3.38Å; I36-W44 HydrophobicContact CG2-CH2 4.46Å; I36-W44 HydrophobicContact CG2-CZ3 4.24Å; I36-F48 HydrophobicContact CD1-CB 4.47Å; I36-F48 HydrophobicContact CD1-CG 4.38Å; I36-F48 HydrophobicContact CG1-CB 4.47Å; I36-F48 HydrophobicContact CG1-CD1 3.94Å; I36-F48 HydrophobicContact CG1-CD2 4.05Å; I36-F48 HydrophobicContact CG1-CE1 4.14Å; I36-F48 HydrophobicContact CG1-CE2 4.26Å; I36-F48 HydrophobicContact CG1-CG 3.89Å; I36-F48 HydrophobicContact CG1-CZ 4.29Å; I36-V50 HydrophobicContact CD1-CG2 4.37Å; I36-L71 HydrophobicContact CG2-CD1 3.57Å; I36-L71 HydrophobicContact CG2-CD2 4.21Å; I36-V121 HydrophobicContact CG2-CG2 3.63Å
37	Y	93	Very high	90	Very high	94 Å²	94	64.7 Å²	64.7	37%	0.369	33%	0.333	S	S	.	.	H	α-helix	trans	-69.3	-38.6	177.2	-177.3	-106.8	0	0	0	112.8	K33 N34 H40 N41 K70 L71	K33-Y37 WeakPolarHBondContact O-CB 3.4Å; K33-Y37 PolarHBondContact O-N 3.46Å; N34-Y37 CarbonylContact O-C 3.59Å; N34-Y37 PolarHBondContact O-N 3.29Å; N34-Y37 VanDerWaalsContact O-N 3.12Å; Y37-H40 WeakPolarHBondContact O-CB 3.5Å; Y37-H40 PolarHBondContact O-N 3.31Å; Y37-N41 WeakPolarHBondContact CD1-ND2 3.35Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.4Å; Y37-N41 PolarHBondContact O-N 2.71Å; Y37-N41 PolarHBondContact O-ND2 3.18Å; Y37-N41 VanDerWaalsContact O-ND2 3.08Å; Y37-N41 PolarHBondContact O-OD1 2.85Å; Y37-K70 HydrophobicContact CD2-CB 3.83Å; Y37-K70 HydrophobicContact CE2-CB 3.74Å; Y37-K70 HydrophobicContact CE2-CD 4.35Å; Y37-L71 HydrophobicContact CD2-CD2 4.13Å
38	E	91	Very high	90.7	Very high	112 Å²	112	61.2 Å²	61.2	52%	0.523	31%	0.31	S	S	.	.	H	α-helix	trans	-61.5	-48.9	169.8	-74.9	166.6	-153.9	0	0	110.9	N34 H40 N41 S42	N34-E38 WeakPolarHBondContact O-CB 3.33Å; N34-E38 WeakPolarHBondContact O-CG 3.43Å; N34-E38 PolarHBondContact O-N 3.45Å; E38-H40 VanDerWaalsContact C-N 3.3Å; E38-H40 PolarHBondContact O-N 3.47Å; E38-N41 PolarHBondContact O-N 2.83Å; E38-N41 VanDerWaalsContact O-N 3.12Å; E38-S42 WeakPolarHBondContact O-CB 3.42Å; E38-S42 PolarHBondContact O-N 3.37Å; E38-S42 PolarHBondContact O-OG 3.13Å
39	A	90.9	Very high	91.3	Very high	13 Å²	13	54.6 Å²	54.6	11%	0.107	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-41.7	176.9	0	0	0	0	0	112.1	V35 I36 S42 Q43 W44 F48	V35-A39 WeakPolarHBondContact O-CB 3.4Å; V35-A39 PolarHBondContact O-N 3.46Å; I36-A39 PolarHBondContact O-N 3.4Å; A39-S42 CarbonylContact O-C 3.58Å; A39-S42 PolarHBondContact O-N 3.03Å; A39-Q43 PolarHBondContact O-N 2.95Å; A39-W44 HydrophobicContact CB-CE3 3.99Å; A39-W44 HydrophobicContact CB-CZ3 4.29Å; A39-W44 VanDerWaalsContact O-CA 3.24Å; A39-W44 WeakPolarHBondContact O-CA 3.42Å; A39-W44 PolarHBondContact O-N 2.76Å; A39-F48 HydrophobicContact CB-CE2 3.65Å; A39-F48 HydrophobicContact CB-CZ 3.97Å
40	H	91.6	Very high	91.5	Very high	44 Å²	44	54.5 Å²	54.5	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-56.7	-50.1	172.6	168.4	-91.1	0	0	0	112.1	I36 Y37 E38 S42 Q43 W44 L71 D72	I36-H40 WeakPolarHBondContact O-CB 3.35Å; I36-H40 PolarHBondContact O-N 3.38Å; Y37-H40 WeakPolarHBondContact O-CB 3.5Å; Y37-H40 PolarHBondContact O-N 3.31Å; E38-H40 VanDerWaalsContact C-N 3.3Å; E38-H40 PolarHBondContact O-N 3.47Å; H40-S42 VanDerWaalsContact C-N 3.28Å; H40-S42 PolarHBondContact O-N 2.71Å; H40-Q43 PolarHBondContact O-N 3.22Å; H40-W44 HydrophobicContact CB-CE3 4.37Å; H40-W44 HydrophobicContact CB-CH2 3.6Å; H40-W44 HydrophobicContact CB-CZ2 3.85Å; H40-W44 HydrophobicContact CB-CZ3 3.88Å; H40-W44 AromaticContact CD2-CZ2 3.61Å; H40-L71 HydrophobicContact CB-CD2 3.79Å; H40-D72 PolarHBondContact NE2-N 2.67Å
41	N	89.6	Confident	91.8	Very high	86 Å²	86	51.7 Å²	51.7	46%	0.46	26%	0.261	S	S	.	.	H	α-helix	trans	-68.4	-28.6	-178.4	-60.3	-21.7	0	0	0	112.3	Y37 E38 Q43	Y37-N41 WeakPolarHBondContact CD1-ND2 3.35Å; Y37-N41 WeakPolarHBondContact CE1-ND2 3.4Å; Y37-N41 PolarHBondContact O-N 2.71Å; Y37-N41 PolarHBondContact O-ND2 3.18Å; Y37-N41 VanDerWaalsContact O-ND2 3.08Å; Y37-N41 PolarHBondContact O-OD1 2.85Å; E38-N41 PolarHBondContact O-N 2.83Å; E38-N41 VanDerWaalsContact O-N 3.12Å; N41-Q43 VanDerWaalsContact C-N 3.34Å; N41-Q43 PolarHBondContact O-N 3.43Å
42	S	88	Confident	92.1	Very high	63 Å²	63	47.2 Å²	47.2	44%	0.441	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	26.7	175.8	-58.6	0	0	0	0	114.2	E38 A39 H40 W44	E38-S42 WeakPolarHBondContact O-CB 3.42Å; E38-S42 PolarHBondContact O-N 3.37Å; E38-S42 PolarHBondContact O-OG 3.13Å; A39-S42 CarbonylContact O-C 3.58Å; A39-S42 PolarHBondContact O-N 3.03Å; H40-S42 VanDerWaalsContact C-N 3.28Å; H40-S42 PolarHBondContact O-N 2.71Å; S42-W44 VanDerWaalsContact C-N 3.31Å; S42-W44 PolarHBondContact O-N 2.9Å
43	Q	85.2	Confident	92.2	Very high	183 Å²	183	46.7 Å²	46.7	86%	0.855	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	33.9	176.7	-54.8	-174.8	5.5	0	0	115.2	A39 H40 N41	A39-Q43 PolarHBondContact O-N 2.95Å; H40-Q43 PolarHBondContact O-N 3.22Å; N41-Q43 VanDerWaalsContact C-N 3.34Å; N41-Q43 PolarHBondContact O-N 3.43Å
44	W	87.4	Confident	92.2	Very high	46 Å²	46	46 Å²	46	17%	0.174	24%	0.24	C	C	.	.			trans	62.4	66.7	175.6	-55.9	116.5	0	0	0	115.7	I36 A39 H40 S42 A46 L71 N75 S120 V121	I36-W44 HydrophobicContact CG2-CH2 4.46Å; I36-W44 HydrophobicContact CG2-CZ3 4.24Å; A39-W44 HydrophobicContact CB-CE3 3.99Å; A39-W44 HydrophobicContact CB-CZ3 4.29Å; A39-W44 VanDerWaalsContact O-CA 3.24Å; A39-W44 WeakPolarHBondContact O-CA 3.42Å; A39-W44 PolarHBondContact O-N 2.76Å; H40-W44 HydrophobicContact CB-CE3 4.37Å; H40-W44 HydrophobicContact CB-CH2 3.6Å; H40-W44 HydrophobicContact CB-CZ2 3.85Å; H40-W44 HydrophobicContact CB-CZ3 3.88Å; H40-W44 AromaticContact CD2-CZ2 3.61Å; S42-W44 VanDerWaalsContact C-N 3.31Å; S42-W44 PolarHBondContact O-N 2.9Å; W44-A46 PolarHBondContact O-N 3.25Å; W44-A46 VanDerWaalsContact O-N 3.17Å; W44-L71 HydrophobicContact CH2-CD1 4.41Å; W44-N75 HydrophobicContact CZ2-CB 3.76Å; W44-N75 PolarHBondContact NE1-ND2 3.49Å; W44-S120 VanDerWaalsContact CD2-OG 3.31Å; W44-S120 VanDerWaalsContact CE2-CB 3.46Å; W44-S120 VanDerWaalsContact CE3-CB 3.48Å; W44-S120 PolarHBondContact NE1-OG 3.47Å; W44-V121 HydrophobicContact CH2-CG2 3.52Å; W44-V121 HydrophobicContact CZ3-CG2 3.6Å
45	G	81.3	Confident	92.3	Very high	43 Å²	43	42.1 Å²	42.1	44%	0.443	22%	0.22	S	C	.	.	S	Bend	trans	-63	-13.6	170.3	0	0	0	0	0	115.5	L214	G45-L214 WeakPolarHBondContact O-CD2 3.42Å
46	A	89.1	Confident	92.3	Very high	19 Å²	19	39.2 Å²	39.2	16%	0.157	20%	0.202	C	C	.	.	S	Bend	trans	-148.3	161.5	176.4	0	0	0	0	0	111.2	W44 F48 L214	W44-A46 PolarHBondContact O-N 3.25Å; W44-A46 VanDerWaalsContact O-N 3.17Å; A46-F48 HydrophobicContact CB-CE2 4.11Å; A46-F48 HydrophobicContact CB-CZ 4.02Å; A46-L214 HydrophobicContact CB-CB 4.46Å; A46-L214 HydrophobicContact CB-CD2 4.34Å
47	R	95	Very high	92.2	Very high	102 Å²	102	40 Å²	40	39%	0.385	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	146.6	170.1	-55.2	-167.1	179.5	94	3.1	110.7	G118 S120 Y146 C147	R47-G118 WeakPolarHBondContact CD-O 3.22Å; R47-G118 PolarHBondContact NE-O 3.34Å; R47-S120 CarbonylContact C-O 3.57Å; R47-S120 VanDerWaalsContact CA-O 3.28Å; R47-S120 WeakPolarHBondContact CA-O 3.45Å; R47-Y146 HydrophobicContact CB-CD1 3.68Å; R47-Y146 HydrophobicContact CB-CD2 4.38Å; R47-Y146 HydrophobicContact CB-CE1 3.62Å; R47-Y146 HydrophobicContact CB-CE2 4.34Å; R47-Y146 HydrophobicContact CB-CG 4.05Å; R47-Y146 VanDerWaalsContact CD-CZ 3.5Å; R47-Y146 WeakPolarHBondContact CD-OH 3.38Å; R47-Y146 HydrophobicContact CG-CE1 4.45Å; R47-C147 PolarHBondContact O-N 2.92Å
48	F	97.2	Very high	92.2	Very high	7 Å²	7	35.5 Å²	35.5	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.6	-171.9	-58.5	-91.4	0	0	0	111.1	L32 V35 I36 A39 A46 S120 V121 I122 C147 H149	L32-F48 HydrophobicContact CD1-CD1 4.39Å; V35-F48 HydrophobicContact CG1-CE1 3.89Å; V35-F48 HydrophobicContact CG1-CZ 3.95Å; I36-F48 HydrophobicContact CD1-CB 4.47Å; I36-F48 HydrophobicContact CD1-CG 4.38Å; I36-F48 HydrophobicContact CG1-CB 4.47Å; I36-F48 HydrophobicContact CG1-CD1 3.94Å; I36-F48 HydrophobicContact CG1-CD2 4.05Å; I36-F48 HydrophobicContact CG1-CE1 4.14Å; I36-F48 HydrophobicContact CG1-CE2 4.26Å; I36-F48 HydrophobicContact CG1-CG 3.89Å; I36-F48 HydrophobicContact CG1-CZ 4.29Å; A39-F48 HydrophobicContact CB-CE2 3.65Å; A39-F48 HydrophobicContact CB-CZ 3.97Å; A46-F48 HydrophobicContact CB-CE2 4.11Å; A46-F48 HydrophobicContact CB-CZ 4.02Å; F48-S120 PolarHBondContact N-O 2.97Å; F48-V121 HydrophobicContact CD2-CG2 4.35Å; F48-I122 PolarHBondContact O-N 3.32Å; F48-C147 WeakPolarHBondContact CA-O 3.27Å; F48-C147 HydrophobicContact CD1-CB 4.1Å; F48-C147 HydrophobicContact CE1-CB 4.45Å; F48-H149 AromaticContact CD1-NE2 3.97Å
49	L	97.7	Very high	92.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	113.7	168.1	174.5	65.8	0	0	0	107.6	L51 M115 I122 V124 F137 Y146 C147 V148 H149	L49-L51 HydrophobicContact CD1-CD2 4.04Å; L49-L51 HydrophobicContact CD2-CD2 4.25Å; L49-L51 HydrophobicContact CG-CD2 4.03Å; L49-L51 HydrophobicContact CG-CG 4.47Å; L49-M115 HydrophobicContact CD1-CE 3.76Å; L49-M115 HydrophobicContact CD2-CE 3.65Å; L49-M115 HydrophobicContact CG-CE 4.19Å; L49-I122 CarbonylContact C-O 3.57Å; L49-I122 WeakPolarHBondContact CA-O 3.47Å; L49-I122 HydrophobicContact CD1-CB 4.25Å; L49-I122 HydrophobicContact CD1-CG2 4.18Å; L49-V124 HydrophobicContact CD1-CG2 4.05Å; L49-F137 HydrophobicContact CD2-CB 4.36Å; L49-F137 VanDerWaalsContact CD2-O 3.25Å; L49-F137 WeakPolarHBondContact CD2-O 3.43Å; L49-Y146 HydrophobicContact CB-CD1 4.14Å; L49-Y146 HydrophobicContact CB-CG 4.4Å; L49-C147 PolarHBondContact N-O 3.24Å; L49-V148 HydrophobicContact CB-CG2 4.4Å; L49-V148 HydrophobicContact CD2-CG1 4.1Å; L49-V148 HydrophobicContact CD2-CG2 4.12Å; L49-V148 HydrophobicContact CG-CG1 4.45Å; L49-V148 CarbonylContact O-C 3.57Å; L49-V148 WeakPolarHBondContact O-CA 3.37Å; L49-H149 PolarHBondContact O-N 2.93Å
50	V	97.2	Very high	92.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.5	179.2	-173.4	0	0	0	0	109.1	I36 L52 L67 I122 I123 V124 L151	I36-V50 HydrophobicContact CD1-CG2 4.37Å; V50-L52 HydrophobicContact CG1-CD2 3.85Å; V50-L67 HydrophobicContact CG1-CD1 3.98Å; V50-I122 PolarHBondContact N-O 3.39Å; V50-I123 HydrophobicContact CB-CG1 4.17Å; V50-I123 HydrophobicContact CB-CG2 4.46Å; V50-I123 CarbonylContact O-C 3Å; V50-I123 VanDerWaalsContact O-CA 3.32Å; V50-I123 WeakPolarHBondContact O-CA 3.46Å; V50-V124 PolarHBondContact O-N 3.12Å; V50-L151 HydrophobicContact CG1-CD1 3.41Å; V50-L151 VanDerWaalsContact CG1-CD1 3.41Å; V50-L151 HydrophobicContact CG1-CG 3.94Å
51	L	97.4	Very high	92.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.5	171.3	-53.8	-175.5	0	0	0	108	L49 V124 M134 F137 I138 H149 L150 L151	L49-L51 HydrophobicContact CD1-CD2 4.04Å; L49-L51 HydrophobicContact CD2-CD2 4.25Å; L49-L51 HydrophobicContact CG-CD2 4.03Å; L49-L51 HydrophobicContact CG-CG 4.47Å; L51-V124 HydrophobicContact CD2-CB 3.71Å; L51-V124 HydrophobicContact CD2-CG1 4.47Å; L51-V124 HydrophobicContact CD2-CG2 3.57Å; L51-M134 HydrophobicContact CB-SD 4.42Å; L51-M134 HydrophobicContact CD1-CB 3.95Å; L51-M134 HydrophobicContact CD1-CG 4.12Å; L51-M134 HydrophobicContact CD1-SD 4.12Å; L51-F137 HydrophobicContact CD2-CB 3.91Å; L51-F137 HydrophobicContact CD2-CG 4.36Å; L51-I138 HydrophobicContact CD1-CD1 4.02Å; L51-I138 HydrophobicContact CD1-CG1 3.52Å; L51-H149 PolarHBondContact N-O 3.22Å; L51-L150 HydrophobicContact CB-CD1 4.05Å; L51-L150 WeakPolarHBondContact O-CA 3.01Å; L51-L151 PolarHBondContact O-N 3.41Å
52	L	96.3	Very high	92.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	146	171.4	-55.5	-177.3	0	0	0	109.1	V50 K60 L63 L67 I123 V124 D125 N126 N128 L151	V50-L52 HydrophobicContact CG1-CD2 3.85Å; L52-K60 HydrophobicContact CB-CB 4.3Å; L52-K60 HydrophobicContact CB-CD 4.3Å; L52-K60 HydrophobicContact CD1-CB 4.39Å; L52-K60 WeakPolarHBondContact CD1-O 3.43Å; L52-L63 HydrophobicContact CD2-CD2 4.03Å; L52-L63 HydrophobicContact CD2-CG 4.07Å; L52-L67 HydrophobicContact CD2-CD1 4.29Å; L52-I123 HydrophobicContact CD1-CG2 3.62Å; L52-I123 HydrophobicContact CD2-CG2 4.26Å; L52-I123 HydrophobicContact CG-CG2 3.69Å; L52-V124 PolarHBondContact N-O 3.04Å; L52-D125 HydrophobicContact CD1-CB 4.11Å; L52-N126 VanDerWaalsContact O-O 3.07Å; L52-N128 PolarHBondContact O-ND2 2.89Å; L52-L151 CarbonylContact C-O 3.54Å; L52-L151 WeakPolarHBondContact CA-O 3.47Å; L52-L151 HydrophobicContact CD2-CB 4.17Å; L52-L151 HydrophobicContact CD2-CD1 4.23Å
53	R	94.6	Very high	93	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	16%	0.158	C	C	.	.			trans	-140.1	140.2	-174.5	178.2	167.5	-163.6	-107.1	-0.1	111.7	N128 L129 L150 L151 E152 P153 F185 E186	R53-N128 HydrophobicContact CB-CB 4.4Å; R53-N128 WeakPolarHBondContact CD-O 3.48Å; R53-N128 HydrophobicContact CG-CB 4.43Å; R53-N128 WeakPolarHBondContact CG-O 3.26Å; R53-N128 PolarHBondContact NE-O 3.4Å; R53-L129 PolarHBondContact NH2-O 3.32Å; R53-L150 HydrophobicContact CB-CD1 3.84Å; R53-L151 PolarHBondContact N-O 3.44Å; R53-E152 HydrophobicContact CB-CG 3.99Å; R53-E152 HydrophobicContact CG-CG 4.12Å; R53-E152 IonicContact CZ-OE1 2.69Å; R53-E152 IonicContact NH1-OE1 2.81Å; R53-E152 PolarHBondContact NH1-OE1 2.6Å; R53-E152 WeakPolarHBondContact O-CA 3.06Å; R53-P153 WeakPolarHBondContact O-CD 3.1Å; R53-F185 HydrophobicContact CG-CE2 3.71Å; R53-F185 HydrophobicContact CG-CZ 3.93Å; R53-F185 VanDerWaalsContact CZ-CE2 3.47Å; R53-F185 VanDerWaalsContact NH1-CE1 3.29Å; R53-E186 VanDerWaalsContact CZ-O 3.22Å; R53-E186 PolarHBondContact NH1-O 3.45Å; R53-E186 PolarHBondContact NH2-O 2.89Å
54	G	94.1	Very high	93.5	Very high	5 Å²	5	18.7 Å²	18.7	5%	0.052	12%	0.117	C	C	.	.			trans	138.6	160.2	-179.4	0	0	0	0	0	112.9	K60 C127	G54-K60 VanDerWaalsContact O-CD 3.3Å; G54-K60 WeakPolarHBondContact O-CD 3.45Å; G54-K60 PolarHBondContact O-NZ 3.08Å; G54-C127 PolarHBondContact N-O 2.94Å; G54-C127 WeakPolarHBondContact O-CA 3.39Å
55	L	94.4	Very high	93.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.			trans	-68.7	166.6	-174.8	-80	82.7	0	0	0	113.3	S58 K60 L129 L164 I178 M181 L182 F185	L55-S58 VanDerWaalsContact O-CB 3.26Å; L55-S58 WeakPolarHBondContact O-CB 3.44Å; L55-S58 PolarHBondContact O-N 3.24Å; L55-S58 PolarHBondContact O-OG 3.03Å; L55-K60 PolarHBondContact O-NZ 3.33Å; L55-L129 HydrophobicContact CD1-CD2 4.36Å; L55-L129 HydrophobicContact CG-CD2 4.36Å; L55-L164 HydrophobicContact CB-CD1 3.95Å; L55-L164 HydrophobicContact CD2-CD1 4.04Å; L55-I178 HydrophobicContact CD2-CG2 4.01Å; L55-I178 WeakPolarHBondContact CD2-O 3.41Å; L55-M181 HydrophobicContact CD2-CB 3.66Å; L55-M181 HydrophobicContact CG-CB 4.09Å; L55-L182 HydrophobicContact CD1-CD2 3.82Å; L55-L182 HydrophobicContact CD2-CB 4.37Å; L55-L182 HydrophobicContact CD2-CD2 3.63Å; L55-L182 HydrophobicContact CD2-CG 3.55Å; L55-L182 HydrophobicContact CG-CD2 4.38Å; L55-F185 HydrophobicContact CD1-CB 4.28Å; L55-F185 HydrophobicContact CD1-CD2 3.71Å; L55-F185 HydrophobicContact CD1-CE2 4.19Å; L55-F185 HydrophobicContact CD1-CG 4.03Å
56	P	93.1	Very high	94.4	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.032	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	139.7	167.4	-25.6	35.5	0	0	0	111.5	S58 L164 I173 I178 M181	P56-S58 PolarHBondContact O-N 3.14Å; P56-L164 WeakPolarHBondContact O-CD2 3.45Å; P56-I173 HydrophobicContact CB-CD1 3.76Å; P56-I173 HydrophobicContact CG-CD1 3.71Å; P56-I178 HydrophobicContact CB-CD1 3.98Å; P56-I178 HydrophobicContact CG-CD1 3.91Å; P56-M181 HydrophobicContact CG-CE 3.91Å; P56-M181 HydrophobicContact CG-SD 3.86Å
57	G	91.2	Very high	94.6	Very high	17 Å²	17	23 Å²	23	18%	0.175	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-0.7	-176.9	0	0	0	0	0	116.6	G59 W157 L167	G57-G59 VanDerWaalsContact C-N 3.3Å; G57-G59 PolarHBondContact O-N 3.44Å; G57-W157 PolarHBondContact O-NE1 2.89Å; G57-L167 WeakPolarHBondContact CA-O 3.29Å
58	S	93.3	Very high	94.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-73.8	-16.7	176.6	62.8	0	0	0	0	114.4	L55 P56 P153 T155	L55-S58 VanDerWaalsContact O-CB 3.26Å; L55-S58 WeakPolarHBondContact O-CB 3.44Å; L55-S58 PolarHBondContact O-N 3.24Å; L55-S58 PolarHBondContact O-OG 3.03Å; P56-S58 PolarHBondContact O-N 3.14Å; S58-P153 VanDerWaalsContact O-CB 3.25Å; S58-P153 WeakPolarHBondContact O-CB 3.25Å; S58-T155 WeakPolarHBondContact O-CG2 3.42Å; S58-T155 PolarHBondContact O-OG1 3.14Å
59	G	92	Very high	94.3	Very high	21 Å²	21	22.1 Å²	22.1	22%	0.216	12%	0.121	C	C	.	.	S	Bend	trans	104.2	12.9	178.4	0	0	0	0	0	116	G57 S61 T62 L63	G57-G59 VanDerWaalsContact C-N 3.3Å; G57-G59 PolarHBondContact O-N 3.44Å; G59-S61 PolarHBondContact O-N 3.42Å; G59-T62 WeakPolarHBondContact O-CB 3.48Å; G59-T62 PolarHBondContact O-N 3.4Å; G59-T62 VanDerWaalsContact O-N 3.09Å; G59-L63 PolarHBondContact O-N 3.04Å
60	K	94.7	Very high	93.8	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.057	15%	0.148	C	C	.	.	H	α-helix	trans	-50.3	-54.4	178.6	-59	-169.5	-61.7	-74.4	0	113.2	L52 G54 L55 T62 L63 G64 D125 N126 C127 P153	L52-K60 HydrophobicContact CB-CB 4.3Å; L52-K60 HydrophobicContact CB-CD 4.3Å; L52-K60 HydrophobicContact CD1-CB 4.39Å; L52-K60 WeakPolarHBondContact CD1-O 3.43Å; G54-K60 VanDerWaalsContact O-CD 3.3Å; G54-K60 WeakPolarHBondContact O-CD 3.45Å; G54-K60 PolarHBondContact O-NZ 3.08Å; L55-K60 PolarHBondContact O-NZ 3.33Å; K60-T62 PolarHBondContact O-N 3.42Å; K60-T62 VanDerWaalsContact O-N 3.14Å; K60-L63 CarbonylContact O-C 3.55Å; K60-L63 WeakPolarHBondContact O-CA 3.36Å; K60-L63 WeakPolarHBondContact O-CB 3.39Å; K60-L63 PolarHBondContact O-N 3.42Å; K60-G64 PolarHBondContact O-N 2.78Å; K60-D125 WeakPolarHBondContact CB-OD1 3.41Å; K60-N126 WeakPolarHBondContact CD-O 3.39Å; K60-N126 VanDerWaalsContact CE-C 3.46Å; K60-N126 WeakPolarHBondContact CE-O 3.38Å; K60-C127 PolarHBondContact NZ-SG 3.38Å; K60-P153 HydrophobicContact CB-CG 4.42Å; K60-P153 HydrophobicContact CG-CG 4.03Å
61	S	92.9	Very high	93.4	Very high	39 Å²	39	29.1 Å²	29.1	27%	0.273	15%	0.152	S	C	.	.	H	α-helix	trans	-63.5	-23.3	-179.2	-40.2	0	0	0	0	113.9	G59 R65 D125	G59-S61 PolarHBondContact O-N 3.42Å; S61-R65 WeakPolarHBondContact O-CB 3.27Å; S61-R65 WeakPolarHBondContact O-CD 3.4Å; S61-R65 WeakPolarHBondContact O-CG 3.43Å; S61-R65 PolarHBondContact O-N 2.9Å; S61-R65 PolarHBondContact O-NH1 3.08Å; S61-D125 WeakPolarHBondContact CA-OD2 3.33Å; S61-D125 WeakPolarHBondContact CB-OD2 3.43Å; S61-D125 PolarHBondContact N-OD1 3.15Å; S61-D125 PolarHBondContact N-OD2 2.84Å; S61-D125 PolarHBondContact OG-OD2 3.38Å
62	T	93.7	Very high	92.9	Very high	73 Å²	73	32.2 Å²	32.2	45%	0.448	17%	0.168	S	C	.	.	H	α-helix	trans	-73.7	-44.4	171.4	-49.4	0	0	0	0	110.4	G59 K60 R65 F66	G59-T62 WeakPolarHBondContact O-CB 3.48Å; G59-T62 PolarHBondContact O-N 3.4Å; G59-T62 VanDerWaalsContact O-N 3.09Å; K60-T62 PolarHBondContact O-N 3.42Å; K60-T62 VanDerWaalsContact O-N 3.14Å; T62-R65 PolarHBondContact O-N 3.19Å; T62-F66 WeakPolarHBondContact O-CB 3.18Å; T62-F66 PolarHBondContact O-N 3.41Å
63	L	94.6	Very high	92.4	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-44.9	173.1	171.3	58.4	0	0	0	112.2	I29 L52 G59 K60 R65 F66 L67 L151 P153	I29-L63 HydrophobicContact CB-CD1 4.44Å; I29-L63 HydrophobicContact CD1-CD1 3.87Å; I29-L63 HydrophobicContact CD1-CD2 4.03Å; I29-L63 HydrophobicContact CG1-CD1 4.15Å; I29-L63 HydrophobicContact CG2-CD1 3.44Å; I29-L63 VanDerWaalsContact CG2-CD1 3.44Å; L52-L63 HydrophobicContact CD2-CD2 4.03Å; L52-L63 HydrophobicContact CD2-CG 4.07Å; G59-L63 PolarHBondContact O-N 3.04Å; K60-L63 CarbonylContact O-C 3.55Å; K60-L63 WeakPolarHBondContact O-CA 3.36Å; K60-L63 WeakPolarHBondContact O-CB 3.39Å; K60-L63 PolarHBondContact O-N 3.42Å; L63-R65 PolarHBondContact O-N 2.91Å; L63-F66 WeakPolarHBondContact O-CB 3.37Å; L63-F66 PolarHBondContact O-N 2.77Å; L63-L67 HydrophobicContact CD1-CD1 4.29Å; L63-L67 HydrophobicContact CD1-CG 4.22Å; L63-L67 HydrophobicContact CG-CD1 4.44Å; L63-L67 WeakPolarHBondContact O-CG 3.42Å; L63-L67 PolarHBondContact O-N 3.11Å; L63-L151 HydrophobicContact CD2-CB 4.14Å; L63-P153 HydrophobicContact CD2-CG 4.38Å
64	G	95.2	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-46.3	176.8	0	0	0	0	0	112.7	K60 L67	K60-G64 PolarHBondContact O-N 2.78Å; G64-L67 PolarHBondContact O-N 3.44Å
65	R	94.6	Very high	91.8	Very high	153 Å²	153	49.3 Å²	49.3	58%	0.577	24%	0.24	S	C	*	.	H	α-helix	trans	-65.9	-39.6	174.2	-68.2	172.1	-165.2	118.7	0.3	112.1	S61 T62 L63 L67 V68 D69 I78	S61-R65 WeakPolarHBondContact O-CB 3.27Å; S61-R65 WeakPolarHBondContact O-CD 3.4Å; S61-R65 WeakPolarHBondContact O-CG 3.43Å; S61-R65 PolarHBondContact O-N 2.9Å; S61-R65 PolarHBondContact O-NH1 3.08Å; T62-R65 PolarHBondContact O-N 3.19Å; L63-R65 PolarHBondContact O-N 2.91Å; R65-L67 VanDerWaalsContact C-N 3.3Å; R65-L67 PolarHBondContact O-N 2.98Å; R65-V68 PolarHBondContact O-N 2.95Å; R65-D69 PolarHBondContact O-N 3.3Å; R65-D69 VanDerWaalsContact O-N 3.1Å; R65-I78 HydrophobicContact CG-CD1 4.46Å
66	F	93.7	Very high	91.8	Very high	43 Å²	43	50 Å²	50	19%	0.189	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-37	175.8	171.6	-94.9	0	0	0	112.5	H25 I29 K33 T62 L63 V68	H25-F66 HydrophobicContact CB-CE1 4.46Å; H25-F66 AromaticContact CD2-CD1 3.75Å; H25-F66 AromaticContact CD2-CD2 3.85Å; H25-F66 AromaticContact CD2-CE1 3.59Å; H25-F66 AromaticContact CD2-CE2 3.68Å; H25-F66 AromaticContact CD2-CG 3.88Å; H25-F66 AromaticContact CD2-CZ 3.55Å; H25-F66 AromaticContact CE1-CD1 3.99Å; H25-F66 AromaticContact CE1-CG 3.98Å; H25-F66 AromaticContact CG-CE1 3.96Å; H25-F66 AromaticContact NE2-CD1 3.64Å; H25-F66 AromaticContact NE2-CD2 3.54Å; H25-F66 AromaticContact NE2-CE1 3.99Å; H25-F66 AromaticContact NE2-CE2 3.89Å; H25-F66 AromaticContact NE2-CG 3.4Å; H25-F66 WeakPolarHBondContact NE2-CG 3.27Å; I29-F66 HydrophobicContact CG2-CD1 4.19Å; I29-F66 HydrophobicContact CG2-CE1 3.96Å; K33-F66 HydrophobicContact CB-CE1 4.45Å; K33-F66 HydrophobicContact CD-CD1 3.9Å; K33-F66 HydrophobicContact CD-CE1 3.38Å; K33-F66 HydrophobicContact CD-CE2 4.16Å; K33-F66 HydrophobicContact CD-CG 4.48Å; K33-F66 HydrophobicContact CD-CZ 3.54Å; K33-F66 WeakPolarHBondContact CD-O 3.36Å; K33-F66 WeakPolarHBondContact CE-O 3.39Å; K33-F66 VanDerWaalsContact NZ-CE2 3.25Å; K33-F66 PolarHBondContact NZ-O 2.86Å; T62-F66 WeakPolarHBondContact O-CB 3.18Å; T62-F66 PolarHBondContact O-N 3.41Å; L63-F66 WeakPolarHBondContact O-CB 3.37Å; L63-F66 PolarHBondContact O-N 2.77Å; F66-V68 PolarHBondContact O-N 2.94Å
67	L	94	Very high	91.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-20.9	179.1	-71	166.4	0	0	0	113.7	I29 K33 V50 L52 L63 G64 R65 I123 L151	I29-L67 HydrophobicContact CG2-CD2 4.26Å; K33-L67 HydrophobicContact CB-CD2 4.15Å; V50-L67 HydrophobicContact CG1-CD1 3.98Å; L52-L67 HydrophobicContact CD2-CD1 4.29Å; L63-L67 HydrophobicContact CD1-CD1 4.29Å; L63-L67 HydrophobicContact CD1-CG 4.22Å; L63-L67 HydrophobicContact CG-CD1 4.44Å; L63-L67 WeakPolarHBondContact O-CG 3.42Å; L63-L67 PolarHBondContact O-N 3.11Å; G64-L67 PolarHBondContact O-N 3.44Å; R65-L67 VanDerWaalsContact C-N 3.3Å; R65-L67 PolarHBondContact O-N 2.98Å; L67-I123 HydrophobicContact CB-CD1 4.07Å; L67-I123 HydrophobicContact CD1-CD1 4.18Å; L67-L151 HydrophobicContact CD1-CD1 3.63Å; L67-L151 HydrophobicContact CD2-CD1 4.42Å
68	V	94	Very high	92.2	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-123.7	4.5	-169.2	-50.7	0	0	0	0	114.7	R65 F66 K70 L71 Q73 V76 I78 V121 I123	R65-V68 PolarHBondContact O-N 2.95Å; F66-V68 PolarHBondContact O-N 2.94Å; V68-K70 PolarHBondContact O-N 3Å; V68-K70 VanDerWaalsContact O-N 3.15Å; V68-L71 HydrophobicContact CB-CD1 3.9Å; V68-L71 HydrophobicContact CB-CG 4.45Å; V68-L71 HydrophobicContact CG1-CD1 3.95Å; V68-L71 PolarHBondContact O-N 2.83Å; V68-L71 VanDerWaalsContact O-N 3.16Å; V68-Q73 PolarHBondContact O-NE2 3.43Å; V68-V76 HydrophobicContact CB-CG1 3.88Å; V68-V76 HydrophobicContact CG1-CG1 3.63Å; V68-V76 HydrophobicContact CG2-CG1 4.21Å; V68-I78 HydrophobicContact CG2-CD1 4.2Å; V68-V121 HydrophobicContact CG1-CG1 4.45Å; V68-I123 HydrophobicContact CG1-CD1 3.47Å; V68-I123 VanDerWaalsContact CG1-CD1 3.47Å; V68-I123 HydrophobicContact CG1-CG1 4.47Å
69	D	91	Very high	92.3	Very high	86 Å²	86	52.8 Å²	52.8	46%	0.46	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.6	-175.9	66	-14.5	0	0	0	115	K33 R65	K33-D69 WeakPolarHBondContact CE-OD1 3.24Å; K33-D69 IonicContact NZ-OD1 3.63Å; K33-D69 PolarHBondContact NZ-OD1 2.99Å; K33-D69 IonicContact NZ-OD2 2.78Å; K33-D69 PolarHBondContact NZ-OD2 2.82Å; R65-D69 PolarHBondContact O-N 3.3Å; R65-D69 VanDerWaalsContact O-N 3.1Å
70	K	87.7	Confident	92.5	Very high	133 Å²	133	52.1 Å²	52.1	58%	0.578	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.4	6.2	-178.5	-69.1	178.1	-179.3	-176.1	0	114.5	Y37 V68	Y37-K70 HydrophobicContact CD2-CB 3.83Å; Y37-K70 HydrophobicContact CE2-CB 3.74Å; Y37-K70 HydrophobicContact CE2-CD 4.35Å; V68-K70 PolarHBondContact O-N 3Å; V68-K70 VanDerWaalsContact O-N 3.15Å
71	L	89.6	Confident	92.3	Very high	14 Å²	14	52.9 Å²	52.9	7%	0.073	25%	0.252	C	S	.	.	S	Bend	trans	-100	150.2	-174.1	-51.4	178.1	0	0	0	112	I36 Y37 H40 W44 V68 Q73 V76 V121	I36-L71 HydrophobicContact CG2-CD1 3.57Å; I36-L71 HydrophobicContact CG2-CD2 4.21Å; Y37-L71 HydrophobicContact CD2-CD2 4.13Å; H40-L71 HydrophobicContact CB-CD2 3.79Å; W44-L71 HydrophobicContact CH2-CD1 4.41Å; V68-L71 HydrophobicContact CB-CD1 3.9Å; V68-L71 HydrophobicContact CB-CG 4.45Å; V68-L71 HydrophobicContact CG1-CD1 3.95Å; V68-L71 PolarHBondContact O-N 2.83Å; V68-L71 VanDerWaalsContact O-N 3.16Å; L71-Q73 PolarHBondContact O-N 3.06Å; L71-Q73 VanDerWaalsContact O-N 3.14Å; L71-Q73 PolarHBondContact O-NE2 3.28Å; L71-V76 HydrophobicContact CB-CG2 3.91Å; L71-V76 HydrophobicContact CD1-CG2 3.9Å; L71-V121 HydrophobicContact CD1-CG2 4.36Å
72	D	85.2	Confident	92.1	Very high	64 Å²	64	53 Å²	53	34%	0.342	25%	0.25	S	C	.	.			trans	-65.3	113.1	163.5	-177.3	3.8	0	0	0	109.6	H40 R74 N75	H40-D72 PolarHBondContact NE2-N 2.67Å; D72-R74 PolarHBondContact O-N 2.9Å; D72-R74 WeakPolarHBondContact OD1-CG 3.21Å; D72-R74 PolarHBondContact OD1-N 2.81Å; D72-R74 VanDerWaalsContact OD1-N 3.09Å; D72-R74 WeakPolarHBondContact OD2-CD 3.49Å; D72-R74 IonicContact OD2-NH1 2.71Å; D72-N75 PolarHBondContact O-N 3.27Å
73	Q	86.1	Confident	91.9	Very high	107 Å²	107	53 Å²	53	50%	0.5	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-60.5	-13.7	-177.1	-53.8	-61.1	-67.6	0	0	113.1	V68 L71 N75 V76	V68-Q73 PolarHBondContact O-NE2 3.43Å; L71-Q73 PolarHBondContact O-N 3.06Å; L71-Q73 VanDerWaalsContact O-N 3.14Å; L71-Q73 PolarHBondContact O-NE2 3.28Å; Q73-N75 PolarHBondContact O-N 3.44Å; Q73-V76 PolarHBondContact O-N 3.42Å
74	R	86.5	Confident	91.7	Very high	200 Å²	200	57.6 Å²	57.6	76%	0.755	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-59.8	-27.5	173.6	-70.8	179.1	178.8	152.9	-8	114.5	D72	D72-R74 PolarHBondContact O-N 2.9Å; D72-R74 WeakPolarHBondContact OD1-CG 3.21Å; D72-R74 PolarHBondContact OD1-N 2.81Å; D72-R74 VanDerWaalsContact OD1-N 3.09Å; D72-R74 WeakPolarHBondContact OD2-CD 3.49Å; D72-R74 IonicContact OD2-NH1 2.71Å
75	N	89.7	Confident	91.4	Very high	58 Å²	58	57.9 Å²	57.9	31%	0.31	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-112.3	17.3	-177.5	-65.9	-66.6	0	0	0	112.7	W44 D72 Q73 V119 S120 V121	W44-N75 HydrophobicContact CZ2-CB 3.76Å; W44-N75 PolarHBondContact NE1-ND2 3.49Å; D72-N75 PolarHBondContact O-N 3.27Å; Q73-N75 PolarHBondContact O-N 3.44Å; N75-V119 WeakPolarHBondContact O-CG1 3.44Å; N75-S120 PolarHBondContact O-N 3.43Å; N75-V121 PolarHBondContact O-N 3.3Å
76	V	94.9	Very high	91	Very high	14 Å²	14	54 Å²	54	9%	0.085	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.7	-176.1	-178.9	0	0	0	0	109.2	V68 L71 Q73 V121	V68-V76 HydrophobicContact CB-CG1 3.88Å; V68-V76 HydrophobicContact CG1-CG1 3.63Å; V68-V76 HydrophobicContact CG2-CG1 4.21Å; L71-V76 HydrophobicContact CB-CG2 3.91Å; L71-V76 HydrophobicContact CD1-CG2 3.9Å; Q73-V76 PolarHBondContact O-N 3.42Å; V76-V121 CarbonylContact C-O 3.51Å; V76-V121 WeakPolarHBondContact CA-O 3.35Å; V76-V121 HydrophobicContact CG2-CB 4.3Å
77	V	96.1	Very high	90.4	Very high	33 Å²	33	53.9 Å²	53.9	20%	0.2	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.5	168.3	170.9	0	0	0	0	109.3	A79 K110 V119 V121 I122 I123	V77-A79 HydrophobicContact CG1-CB 4.49Å; V77-K110 HydrophobicContact CG1-CG 4.33Å; V77-V119 HydrophobicContact CB-CG1 4.3Å; V77-V119 HydrophobicContact CG2-CG1 3.98Å; V77-V119 HydrophobicContact CG2-CG2 4.36Å; V77-V121 PolarHBondContact N-O 3.38Å; V77-I122 CarbonylContact O-C 3.49Å; V77-I122 WeakPolarHBondContact O-CA 3.35Å; V77-I123 PolarHBondContact O-N 2.88Å
78	I	96.5	Very high	89.7	Confident	49 Å²	49	58.8 Å²	58.8	25%	0.251	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.2	159.6	-51.5	-176.9	0	0	0	107	R65 V68 K110 I123 D125	R65-I78 HydrophobicContact CG-CD1 4.46Å; V68-I78 HydrophobicContact CG2-CD1 4.2Å; I78-K110 WeakPolarHBondContact O-CE 3.38Å; I78-K110 PolarHBondContact O-NZ 3.2Å; I78-I123 WeakPolarHBondContact CA-O 3.46Å; I78-I123 HydrophobicContact CG1-CB 4.24Å; I78-I123 HydrophobicContact CG2-CB 4.47Å; I78-D125 HydrophobicContact CG2-CB 3.98Å
79	A	95.9	Very high	89	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132.1	175.2	0	0	0	0	0	109.7	V77 D83 K110 V111 I123 V124 D125	V77-A79 HydrophobicContact CG1-CB 4.49Å; A79-D83 WeakPolarHBondContact CA-OD2 3.45Å; A79-K110 HydrophobicContact CB-CB 4.46Å; A79-K110 HydrophobicContact CB-CD 3.81Å; A79-K110 HydrophobicContact CB-CG 4Å; A79-V111 HydrophobicContact CB-CG2 3.77Å; A79-I123 PolarHBondContact N-O 2.87Å; A79-V124 CarbonylContact O-C 3.5Å; A79-V124 WeakPolarHBondContact O-CA 3.44Å; A79-D125 PolarHBondContact O-N 3.25Å
80	S	94.8	Very high	88.5	Confident	7 Å²	7	66.1 Å²	66.1	5%	0.049	32%	0.317	C	S	.	.			trans	-135	154.2	173.3	-172.8	0	0	0	0	109.9	D82 D83 C107 D125 N126	S80-D82 PolarHBondContact O-N 3.43Å; S80-D82 PolarHBondContact OG-N 2.81Å; S80-D82 VanDerWaalsContact OG-N 3.16Å; S80-D83 PolarHBondContact N-OD2 3.2Å; S80-D83 VanDerWaalsContact O-CB 3.32Å; S80-D83 WeakPolarHBondContact O-CB 3.4Å; S80-D83 PolarHBondContact O-N 2.75Å; S80-C107 VanDerWaalsContact C-SG 3.55Å; S80-D125 WeakPolarHBondContact CB-O 3.46Å; S80-D125 PolarHBondContact OG-O 3.06Å; S80-N126 WeakPolarHBondContact CA-OD1 3.29Å
81	N	91.4	Very high	88.1	Confident	29 Å²	29	63.8 Å²	63.8	16%	0.155	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-60.3	-30.4	164.9	-60.7	-8.3	0	0	0	110.7	D83 Y84 A103 I104 C107 N126	N81-D83 PolarHBondContact O-N 3.22Å; N81-Y84 WeakPolarHBondContact O-CB 3.26Å; N81-Y84 PolarHBondContact O-N 2.71Å; N81-Y84 VanDerWaalsContact O-N 3.16Å; N81-A103 HydrophobicContact CB-CB 4.4Å; N81-I104 WeakPolarHBondContact ND2-CG1 3.32Å; N81-C107 VanDerWaalsContact OD1-CB 3.24Å; N81-C107 WeakPolarHBondContact OD1-CB 3.38Å; N81-C107 PolarHBondContact OD1-SG 3.19Å; N81-N126 VanDerWaalsContact CG-OD1 3.27Å; N81-N126 PolarHBondContact N-OD1 2.9Å; N81-N126 PolarHBondContact OD1-ND2 2.89Å; N81-N126 PolarHBondContact OD1-OD1 3.34Å
82	D	89.7	Confident	87.6	Confident	41 Å²	41	67.2 Å²	67.2	22%	0.219	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-67.3	-17.3	179	-68.8	-53.8	0	0	0	113.5	S80 Y84 F85 Y93 H170	S80-D82 PolarHBondContact O-N 3.43Å; S80-D82 PolarHBondContact OG-N 2.81Å; S80-D82 VanDerWaalsContact OG-N 3.16Å; D82-Y84 PolarHBondContact O-N 2.82Å; D82-F85 PolarHBondContact O-N 3.24Å; D82-Y93 HydrophobicContact CB-CE2 3.9Å; D82-Y93 VanDerWaalsContact OD1-CE2 3.27Å; D82-Y93 WeakPolarHBondContact OD1-CE2 3.29Å; D82-Y93 VanDerWaalsContact OD1-CZ 3.31Å; D82-Y93 PolarHBondContact OD1-OH 3.16Å; D82-H170 IonicContact OD1-CE1 2.7Å; D82-H170 PolarHBondContact OD1-CE1 3.17Å; D82-H170 IonicContact OD1-ND1 3.52Å; D82-H170 IonicContact OD2-CE1 3.17Å; D82-H170 PolarHBondContact OD2-CE1 3.31Å; D82-H170 VanDerWaalsContact OD2-CE1 3.24Å; D82-H170 IonicContact OD2-NE2 3.52Å
83	D	89.3	Confident	87.3	Confident	74 Å²	74	66.5 Å²	66.5	40%	0.396	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-63	-28.6	172.8	-60.5	-31.1	0	0	0	111.9	A79 S80 N81 K110	A79-D83 WeakPolarHBondContact CA-OD2 3.45Å; S80-D83 PolarHBondContact N-OD2 3.2Å; S80-D83 VanDerWaalsContact O-CB 3.32Å; S80-D83 WeakPolarHBondContact O-CB 3.4Å; S80-D83 PolarHBondContact O-N 2.75Å; N81-D83 PolarHBondContact O-N 3.22Å; D83-K110 IonicContact OD2-NZ 3.39Å; D83-K110 PolarHBondContact OD2-NZ 3.09Å
84	Y	90	Very high	87.2	Confident	97 Å²	97	65.7 Å²	65.7	38%	0.38	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-32.6	179.5	-167.4	-97.1	0	0	0	112.2	N81 D82 Y86 E99 E102 A103 A106	N81-Y84 WeakPolarHBondContact O-CB 3.26Å; N81-Y84 PolarHBondContact O-N 2.71Å; N81-Y84 VanDerWaalsContact O-N 3.16Å; D82-Y84 PolarHBondContact O-N 2.82Å; Y84-Y86 VanDerWaalsContact C-N 3.34Å; Y84-E99 HydrophobicContact CE1-CB 4.06Å; Y84-E102 HydrophobicContact CE1-CB 4.12Å; Y84-E102 HydrophobicContact CE2-CB 4.32Å; Y84-E102 WeakPolarHBondContact OH-CB 3.28Å; Y84-E102 PolarHBondContact OH-OE2 3.25Å; Y84-A103 HydrophobicContact CD1-CB 3.79Å; Y84-A103 HydrophobicContact CG-CB 3.77Å; Y84-A106 HydrophobicContact CD2-CB 3.68Å; Y84-A106 HydrophobicContact CE2-CB 4.1Å
85	F	87.9	Confident	86.9	Confident	6 Å²	6	61 Å²	61	3%	0.026	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	5	-176.6	-61.9	-61.1	0	0	0	113.3	D82 Y93 K94 Y95 N96 E99 A103	D82-F85 PolarHBondContact O-N 3.24Å; F85-Y93 HydrophobicContact CB-CD2 3.96Å; F85-Y93 HydrophobicContact CB-CE2 3.62Å; F85-Y93 CarbonylContact O-C 3.59Å; F85-Y93 WeakPolarHBondContact O-CA 3.31Å; F85-K94 WeakPolarHBondContact CD1-O 3.5Å; F85-K94 PolarHBondContact O-N 3Å; F85-Y95 HydrophobicContact CD1-CD2 4.5Å; F85-Y95 AromaticContact CD2-CD2 3.72Å; F85-Y95 HydrophobicContact CD2-CD2 3.72Å; F85-Y95 HydrophobicContact CD2-CE2 4.23Å; F85-Y95 HydrophobicContact CE1-CD2 4.39Å; F85-Y95 AromaticContact CE2-CD2 3.58Å; F85-Y95 HydrophobicContact CE2-CD2 3.58Å; F85-Y95 AromaticContact CE2-CE2 3.65Å; F85-Y95 HydrophobicContact CE2-CE2 3.65Å; F85-Y95 HydrophobicContact CG-CD2 4.18Å; F85-Y95 AromaticContact CZ-CD2 3.94Å; F85-Y95 HydrophobicContact CZ-CD2 3.94Å; F85-Y95 AromaticContact CZ-CE2 3.93Å; F85-Y95 HydrophobicContact CZ-CE2 3.93Å; F85-N96 HydrophobicContact CE1-CB 4.32Å; F85-N96 VanDerWaalsContact CE1-O 3.25Å; F85-N96 WeakPolarHBondContact CE1-O 3.47Å; F85-N96 WeakPolarHBondContact CZ-O 3.26Å; F85-E99 HydrophobicContact CE1-CB 3.98Å; F85-E99 HydrophobicContact CZ-CB 4.47Å; F85-A103 HydrophobicContact CD2-CB 4.35Å; F85-A103 HydrophobicContact CE2-CB 3.56Å; F85-A103 HydrophobicContact CZ-CB 3.67Å
86	Y	86.1	Confident	86.6	Confident	73 Å²	73	61 Å²	61	29%	0.286	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.4	178.9	-167	-104.6	0	0	0	111.6	Y84 E88 Q91	Y84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-E88 HydrophobicContact CD1-CG 4.37Å; Y86-E88 PolarHBondContact O-N 2.76Å; Y86-Q91 WeakPolarHBondContact CE2-O 3.21Å; Y86-Q91 VanDerWaalsContact OH-C 3.29Å; Y86-Q91 VanDerWaalsContact OH-CA 3.27Å; Y86-Q91 WeakPolarHBondContact OH-CA 3.43Å; Y86-Q91 WeakPolarHBondContact OH-CB 3.25Å; Y86-Q91 PolarHBondContact OH-O 3.15Å; Y86-Q91 PolarHBondContact OH-OE1 3.13Å
87	D	82.2	Confident	86	Confident	40 Å²	40	65.4 Å²	65.4	21%	0.214	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	104.7	175.1	-170.4	-39.2	0	0	0	109.6	V89 E90 Q91 I92 K94	D87-V89 PolarHBondContact O-N 3.02Å; D87-V89 WeakPolarHBondContact OD1-CA 3.48Å; D87-V89 WeakPolarHBondContact OD1-CB 3.24Å; D87-V89 PolarHBondContact OD1-N 2.99Å; D87-E90 HydrophobicContact CB-CB 4.3Å; D87-E90 PolarHBondContact OD1-N 3.26Å; D87-Q91 WeakPolarHBondContact O-CA 3.46Å; D87-Q91 PolarHBondContact O-N 2.86Å; D87-I92 WeakPolarHBondContact CB-O 3.43Å; D87-I92 PolarHBondContact N-O 3.22Å; D87-I92 PolarHBondContact O-N 3.23Å; D87-K94 HydrophobicContact CB-CD 4.26Å; D87-K94 IonicContact OD2-NZ 2.76Å; D87-K94 PolarHBondContact OD2-NZ 2.92Å
88	E	78.1	Confident	85.5	Confident	104 Å²	104	69.2 Å²	69.2	49%	0.486	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-21.2	178.8	-69.2	-159.3	142.8	0	0	113.2	C10 Y86 Q91	C10-E88 PolarHBondContact SG-OE1 3.36Å; Y86-E88 HydrophobicContact CD1-CG 4.37Å; Y86-E88 PolarHBondContact O-N 2.76Å; E88-Q91 PolarHBondContact O-NE2 2.79Å
89	V	80.4	Confident	85.1	Confident	138 Å²	138	70.1 Å²	70.1	84%	0.836	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-47.5	-177.5	-176.8	0	0	0	0	110.9	D87	D87-V89 PolarHBondContact O-N 3.02Å; D87-V89 WeakPolarHBondContact OD1-CA 3.48Å; D87-V89 WeakPolarHBondContact OD1-CB 3.24Å; D87-V89 PolarHBondContact OD1-N 2.99Å
90	E	80.3	Confident	84.8	Confident	108 Å²	108	72.5 Å²	72.5	51%	0.505	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-16.1	175.3	-73	-179.8	-148	0	0	113.2	D87 I92 K94	D87-E90 HydrophobicContact CB-CB 4.3Å; D87-E90 PolarHBondContact OD1-N 3.26Å; E90-I92 HydrophobicContact CB-CB 4.24Å; E90-I92 HydrophobicContact CB-CD1 4.18Å; E90-I92 HydrophobicContact CB-CG1 4.19Å; E90-I92 PolarHBondContact O-N 3.31Å; E90-K94 IonicContact OE1-NZ 3.43Å; E90-K94 PolarHBondContact OE1-NZ 3.38Å; E90-K94 WeakPolarHBondContact OE2-CE 3.25Å; E90-K94 IonicContact OE2-NZ 2.65Å; E90-K94 PolarHBondContact OE2-NZ 3.09Å
91	Q	78.5	Confident	84.4	Confident	83 Å²	83	78.3 Å²	78.3	39%	0.388	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	24.6	-170.9	-60.7	-80.3	-71.6	0	0	113.7	P13 Y86 D87 E88	P13-Q91 VanDerWaalsContact CD-OE1 3.29Å; Y86-Q91 WeakPolarHBondContact CE2-O 3.21Å; Y86-Q91 VanDerWaalsContact OH-C 3.29Å; Y86-Q91 VanDerWaalsContact OH-CA 3.27Å; Y86-Q91 WeakPolarHBondContact OH-CA 3.43Å; Y86-Q91 WeakPolarHBondContact OH-CB 3.25Å; Y86-Q91 PolarHBondContact OH-O 3.15Å; Y86-Q91 PolarHBondContact OH-OE1 3.13Å; D87-Q91 WeakPolarHBondContact O-CA 3.46Å; D87-Q91 PolarHBondContact O-N 2.86Å; E88-Q91 PolarHBondContact O-NE2 2.79Å
92	I	78.8	Confident	84.4	Confident	87 Å²	87	81.9 Å²	81.9	45%	0.446	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.8	-173.8	-66.6	174.2	0	0	0	111.1	D87 E90 K94	D87-I92 WeakPolarHBondContact CB-O 3.43Å; D87-I92 PolarHBondContact N-O 3.22Å; D87-I92 PolarHBondContact O-N 3.23Å; E90-I92 HydrophobicContact CB-CB 4.24Å; E90-I92 HydrophobicContact CB-CD1 4.18Å; E90-I92 HydrophobicContact CB-CG1 4.19Å; E90-I92 PolarHBondContact O-N 3.31Å; I92-K94 HydrophobicContact CG2-CG 3.99Å
93	Y	80.4	Confident	84.5	Confident	49 Å²	49	80 Å²	80	19%	0.192	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119	170.1	176.8	-96.3	0	0	0	110.6	D82 F85 H170	D82-Y93 HydrophobicContact CB-CE2 3.9Å; D82-Y93 VanDerWaalsContact OD1-CE2 3.27Å; D82-Y93 WeakPolarHBondContact OD1-CE2 3.29Å; D82-Y93 VanDerWaalsContact OD1-CZ 3.31Å; D82-Y93 PolarHBondContact OD1-OH 3.16Å; F85-Y93 HydrophobicContact CB-CD2 3.96Å; F85-Y93 HydrophobicContact CB-CE2 3.62Å; F85-Y93 CarbonylContact O-C 3.59Å; F85-Y93 WeakPolarHBondContact O-CA 3.31Å; Y93-H170 HydrophobicContact CE1-CB 3.78Å; Y93-H170 AromaticContact CE1-CG 3.99Å; Y93-H170 AromaticContact CE1-ND1 3.45Å; Y93-H170 WeakPolarHBondContact CE1-ND1 3.36Å; Y93-H170 AromaticContact CE2-ND1 3.64Å; Y93-H170 AromaticContact CZ-ND1 3.13Å; Y93-H170 PolarHBondContact OH-ND1 2.81Å; Y93-H170 VanDerWaalsContact OH-ND1 3.08Å
94	K	82.6	Confident	84.6	Confident	89 Å²	89	78.6 Å²	78.6	39%	0.387	39%	0.386	S	S	.	.			trans	-121	75	-174.3	-63.6	176.3	177.3	172.9	0	110.1	F85 D87 E90 I92 N96	F85-K94 WeakPolarHBondContact CD1-O 3.5Å; F85-K94 PolarHBondContact O-N 3Å; D87-K94 HydrophobicContact CB-CD 4.26Å; D87-K94 IonicContact OD2-NZ 2.76Å; D87-K94 PolarHBondContact OD2-NZ 2.92Å; E90-K94 IonicContact OE1-NZ 3.43Å; E90-K94 PolarHBondContact OE1-NZ 3.38Å; E90-K94 WeakPolarHBondContact OE2-CE 3.25Å; E90-K94 IonicContact OE2-NZ 2.65Å; E90-K94 PolarHBondContact OE2-NZ 3.09Å; I92-K94 HydrophobicContact CG2-CG 3.99Å; K94-N96 PolarHBondContact O-N 2.94Å
95	Y	81.6	Confident	84.6	Confident	103 Å²	103	76.5 Å²	76.5	40%	0.404	39%	0.389	S	S	.	.			trans	-63.4	125.1	177.6	-178.4	-102.4	0	0	0	111.8	F85 N97 L100	F85-Y95 HydrophobicContact CD1-CD2 4.5Å; F85-Y95 AromaticContact CD2-CD2 3.72Å; F85-Y95 HydrophobicContact CD2-CD2 3.72Å; F85-Y95 HydrophobicContact CD2-CE2 4.23Å; F85-Y95 HydrophobicContact CE1-CD2 4.39Å; F85-Y95 AromaticContact CE2-CD2 3.58Å; F85-Y95 HydrophobicContact CE2-CD2 3.58Å; F85-Y95 AromaticContact CE2-CE2 3.65Å; F85-Y95 HydrophobicContact CE2-CE2 3.65Å; F85-Y95 HydrophobicContact CG-CD2 4.18Å; F85-Y95 AromaticContact CZ-CD2 3.94Å; F85-Y95 HydrophobicContact CZ-CD2 3.94Å; F85-Y95 AromaticContact CZ-CE2 3.93Å; F85-Y95 HydrophobicContact CZ-CE2 3.93Å; Y95-N97 HydrophobicContact CE1-CB 3.88Å; Y95-N97 PolarHBondContact OH-OD1 3.07Å; Y95-L100 HydrophobicContact CE2-CD1 4.4Å
96	N	82.2	Confident	84.9	Confident	57 Å²	57	77.9 Å²	77.9	31%	0.305	40%	0.402	S	S	.	.			trans	-124.9	118	168.5	-174.9	5.8	0	0	0	111.1	F85 K94 T98 E99	F85-N96 HydrophobicContact CE1-CB 4.32Å; F85-N96 VanDerWaalsContact CE1-O 3.25Å; F85-N96 WeakPolarHBondContact CE1-O 3.47Å; F85-N96 WeakPolarHBondContact CZ-O 3.26Å; K94-N96 PolarHBondContact O-N 2.94Å; N96-T98 VanDerWaalsContact C-N 3.26Å; N96-T98 VanDerWaalsContact CG-OG1 3.31Å; N96-T98 PolarHBondContact ND2-OG1 3.15Å; N96-T98 PolarHBondContact O-N 3.41Å; N96-T98 PolarHBondContact OD1-N 2.92Å; N96-T98 VanDerWaalsContact OD1-N 3.15Å; N96-T98 PolarHBondContact OD1-OG1 2.91Å; N96-E99 HydrophobicContact CB-CB 4.44Å; N96-E99 HydrophobicContact CB-CG 4.44Å; N96-E99 PolarHBondContact ND2-OE1 3Å; N96-E99 PolarHBondContact O-N 3.15Å
97	N	82.5	Confident	85.3	Confident	107 Å²	107	74.6 Å²	74.6	57%	0.572	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-65.6	-25.2	-178.3	-163.5	52.5	0	0	0	113.5	Y95 E99 L100	Y95-N97 HydrophobicContact CE1-CB 3.88Å; Y95-N97 PolarHBondContact OH-OD1 3.07Å; N97-E99 VanDerWaalsContact C-N 3.26Å; N97-E99 PolarHBondContact O-N 2.72Å; N97-L100 WeakPolarHBondContact O-CB 3.22Å; N97-L100 PolarHBondContact O-N 3.27Å
98	T	86.5	Confident	85.9	Confident	113 Å²	113	75.1 Å²	75.1	69%	0.693	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-69.6	-27.7	177.6	62.8	0	0	0	0	112.4	N96	N96-T98 VanDerWaalsContact C-N 3.26Å; N96-T98 VanDerWaalsContact CG-OG1 3.31Å; N96-T98 PolarHBondContact ND2-OG1 3.15Å; N96-T98 PolarHBondContact O-N 3.41Å; N96-T98 PolarHBondContact OD1-N 2.92Å; N96-T98 VanDerWaalsContact OD1-N 3.15Å; N96-T98 PolarHBondContact OD1-OG1 2.91Å
99	E	88.5	Confident	86.6	Confident	67 Å²	67	76.6 Å²	76.6	31%	0.313	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-91.7	-1.1	-179.5	-70	159.2	-141.7	0	0	112.6	Y84 F85 N96 N97 N101 E102 A103	Y84-E99 HydrophobicContact CE1-CB 4.06Å; F85-E99 HydrophobicContact CE1-CB 3.98Å; F85-E99 HydrophobicContact CZ-CB 4.47Å; N96-E99 HydrophobicContact CB-CB 4.44Å; N96-E99 HydrophobicContact CB-CG 4.44Å; N96-E99 PolarHBondContact ND2-OE1 3Å; N96-E99 PolarHBondContact O-N 3.15Å; N97-E99 VanDerWaalsContact C-N 3.26Å; N97-E99 PolarHBondContact O-N 2.72Å; E99-N101 PolarHBondContact O-N 3.39Å; E99-N101 VanDerWaalsContact O-N 3.11Å; E99-E102 WeakPolarHBondContact O-CA 3.23Å; E99-E102 WeakPolarHBondContact O-CB 3.37Å; E99-E102 PolarHBondContact O-N 3.31Å; E99-A103 PolarHBondContact O-N 3.25Å
100	L	88.2	Confident	87.4	Confident	51 Å²	51	73.5 Å²	73.5	27%	0.267	37%	0.372	S	S	.	.	H	α-helix	trans	-55	-35	-177.4	179.6	62	0	0	0	113	Y95 N97 E102 I104	Y95-L100 HydrophobicContact CE2-CD1 4.4Å; N97-L100 WeakPolarHBondContact O-CB 3.22Å; N97-L100 PolarHBondContact O-N 3.27Å; L100-E102 VanDerWaalsContact C-N 3.35Å; L100-I104 HydrophobicContact CD1-CD1 4.14Å; L100-I104 HydrophobicContact CD1-CG1 4.37Å; L100-I104 HydrophobicContact CG-CD1 3.95Å; L100-I104 WeakPolarHBondContact O-CB 3.36Å; L100-I104 WeakPolarHBondContact O-CD1 3.4Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 3.37Å
101	N	87.8	Confident	88.2	Confident	129 Å²	129	68.4 Å²	68.4	69%	0.69	35%	0.348	S	S	*	.	H	α-helix	trans	-65.9	-36.8	174.9	-71.5	-46.9	0	0	0	112.6	E99 A105	E99-N101 PolarHBondContact O-N 3.39Å; E99-N101 VanDerWaalsContact O-N 3.11Å; N101-A105 WeakPolarHBondContact O-CB 3.46Å; N101-A105 PolarHBondContact O-N 2.84Å
102	E	91.6	Very high	88.9	Confident	104 Å²	104	69.5 Å²	69.5	49%	0.486	35%	0.349	S	S	.	.	H	α-helix	trans	-73.9	-42.7	177.6	-54.2	-174.6	153.3	0	0	110.7	Y84 E99 L100 I104 A105 A106	Y84-E102 HydrophobicContact CE1-CB 4.12Å; Y84-E102 HydrophobicContact CE2-CB 4.32Å; Y84-E102 WeakPolarHBondContact OH-CB 3.28Å; Y84-E102 PolarHBondContact OH-OE2 3.25Å; E99-E102 WeakPolarHBondContact O-CA 3.23Å; E99-E102 WeakPolarHBondContact O-CB 3.37Å; E99-E102 PolarHBondContact O-N 3.31Å; L100-E102 VanDerWaalsContact C-N 3.35Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.35Å; E102-A105 CarbonylContact O-C 3.5Å; E102-A105 WeakPolarHBondContact O-CB 3.43Å; E102-A105 PolarHBondContact O-N 3.16Å; E102-A105 VanDerWaalsContact O-N 3.08Å; E102-A106 WeakPolarHBondContact O-CB 3.23Å; E102-A106 PolarHBondContact O-N 2.84Å
103	A	91.6	Very high	89.7	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-57.8	-43.5	172.3	0	0	0	0	0	112.2	N81 Y84 F85 E99 C107	N81-A103 HydrophobicContact CB-CB 4.4Å; Y84-A103 HydrophobicContact CD1-CB 3.79Å; Y84-A103 HydrophobicContact CG-CB 3.77Å; F85-A103 HydrophobicContact CD2-CB 4.35Å; F85-A103 HydrophobicContact CE2-CB 3.56Å; F85-A103 HydrophobicContact CZ-CB 3.67Å; E99-A103 PolarHBondContact O-N 3.25Å; A103-C107 VanDerWaalsContact O-CB 3.27Å; A103-C107 WeakPolarHBondContact O-CB 3.38Å; A103-C107 PolarHBondContact O-N 2.84Å
104	I	89.9	Confident	90.4	Very high	46 Å²	46	66 Å²	66	24%	0.236	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-42.2	172.9	-73.4	165.4	0	0	0	111.1	N81 L100 E102 K108	N81-I104 WeakPolarHBondContact ND2-CG1 3.32Å; L100-I104 HydrophobicContact CD1-CD1 4.14Å; L100-I104 HydrophobicContact CD1-CG1 4.37Å; L100-I104 HydrophobicContact CG-CD1 3.95Å; L100-I104 WeakPolarHBondContact O-CB 3.36Å; L100-I104 WeakPolarHBondContact O-CD1 3.4Å; L100-I104 WeakPolarHBondContact O-CG1 3.46Å; L100-I104 PolarHBondContact O-N 3.37Å; E102-I104 VanDerWaalsContact C-N 3.33Å; E102-I104 PolarHBondContact O-N 3.35Å; I104-K108 HydrophobicContact CG2-CD 3.88Å; I104-K108 WeakPolarHBondContact O-CB 3.36Å; I104-K108 WeakPolarHBondContact O-CD 3.42Å; I104-K108 WeakPolarHBondContact O-CG 3.25Å; I104-K108 PolarHBondContact O-N 3.16Å
105	A	91.9	Very high	91	Very high	53 Å²	53	62 Å²	62	44%	0.438	32%	0.322	S	S	.	.	H	α-helix	trans	-66.4	-44	178.3	0	0	0	0	0	112.1	N101 E102 K108 Q109	N101-A105 WeakPolarHBondContact O-CB 3.46Å; N101-A105 PolarHBondContact O-N 2.84Å; E102-A105 CarbonylContact O-C 3.5Å; E102-A105 WeakPolarHBondContact O-CB 3.43Å; E102-A105 PolarHBondContact O-N 3.16Å; E102-A105 VanDerWaalsContact O-N 3.08Å; A105-K108 PolarHBondContact O-N 2.65Å; A105-Q109 WeakPolarHBondContact O-CB 3.13Å; A105-Q109 PolarHBondContact O-N 2.91Å
106	A	93.3	Very high	91.5	Very high	35 Å²	35	60.7 Å²	60.7	29%	0.289	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-44.9	177.6	0	0	0	0	0	111.9	Y84 E102 Q109 K110	Y84-A106 HydrophobicContact CD2-CB 3.68Å; Y84-A106 HydrophobicContact CE2-CB 4.1Å; E102-A106 WeakPolarHBondContact O-CB 3.23Å; E102-A106 PolarHBondContact O-N 2.84Å; A106-Q109 PolarHBondContact O-N 3.49Å; A106-K110 WeakPolarHBondContact O-CB 3.4Å; A106-K110 PolarHBondContact O-N 3.28Å
107	C	94.5	Very high	92	Very high	4 Å²	4	64.3 Å²	64.3	3%	0.027	35%	0.346	C	S	.	.	H	α-helix	trans	-60.1	-46.7	173.6	178	0	0	0	0	111.4	S80 N81 A103 Q109 K110 V111	S80-C107 VanDerWaalsContact C-SG 3.55Å; N81-C107 VanDerWaalsContact OD1-CB 3.24Å; N81-C107 WeakPolarHBondContact OD1-CB 3.38Å; N81-C107 PolarHBondContact OD1-SG 3.19Å; A103-C107 VanDerWaalsContact O-CB 3.27Å; A103-C107 WeakPolarHBondContact O-CB 3.38Å; A103-C107 PolarHBondContact O-N 2.84Å; C107-Q109 PolarHBondContact O-N 2.85Å; C107-K110 PolarHBondContact O-N 3.43Å; C107-V111 WeakPolarHBondContact O-CG2 3.47Å; C107-V111 PolarHBondContact O-N 2.99Å
108	K	94.3	Very high	92.4	Very high	51 Å²	51	60.1 Å²	60.1	22%	0.222	33%	0.328	C	S	.	.	H	α-helix	trans	-61.2	-41.3	174.1	-72.9	169.9	177.7	170.3	0	112.4	I104 A105 V111 W112 F137	I104-K108 HydrophobicContact CG2-CD 3.88Å; I104-K108 WeakPolarHBondContact O-CB 3.36Å; I104-K108 WeakPolarHBondContact O-CD 3.42Å; I104-K108 WeakPolarHBondContact O-CG 3.25Å; I104-K108 PolarHBondContact O-N 3.16Å; A105-K108 PolarHBondContact O-N 2.65Å; K108-V111 PolarHBondContact O-N 2.87Å; K108-W112 VanDerWaalsContact C-CE3 3.46Å; K108-W112 HydrophobicContact CB-CE3 3.79Å; K108-W112 HydrophobicContact CB-CH2 3.99Å; K108-W112 HydrophobicContact CB-CZ3 3.48Å; K108-W112 VanDerWaalsContact CB-CZ3 3.48Å; K108-W112 HydrophobicContact CD-CH2 4.26Å; K108-W112 HydrophobicContact CD-CZ3 4.42Å; K108-W112 HydrophobicContact CG-CZ3 4.43Å; K108-W112 WeakPolarHBondContact O-CB 3.21Å; K108-W112 VanDerWaalsContact O-CE3 3.28Å; K108-W112 PolarHBondContact O-N 2.68Å; K108-F137 HydrophobicContact CB-CE1 4.36Å; K108-F137 HydrophobicContact CG-CE1 3.7Å; K108-F137 HydrophobicContact CG-CE2 4.49Å; K108-F137 HydrophobicContact CG-CZ 3.62Å
109	Q	94.2	Very high	92.8	Very high	135 Å²	135	55.7 Å²	55.7	63%	0.631	30%	0.301	S	S	*	.	H	α-helix	trans	-64.7	-40.5	176.1	-176.3	176.2	-8.7	0	0	112.3	A105 A106 C107 V111 W112 S113	A105-Q109 WeakPolarHBondContact O-CB 3.13Å; A105-Q109 PolarHBondContact O-N 2.91Å; A106-Q109 PolarHBondContact O-N 3.49Å; C107-Q109 PolarHBondContact O-N 2.85Å; Q109-V111 VanDerWaalsContact C-N 3.33Å; Q109-V111 PolarHBondContact O-N 2.86Å; Q109-W112 PolarHBondContact O-N 2.83Å; Q109-S113 WeakPolarHBondContact O-CB 3.43Å; Q109-S113 PolarHBondContact O-N 2.91Å; Q109-S113 PolarHBondContact O-OG 3.35Å; Q109-S113 VanDerWaalsContact O-OG 3.08Å
110	K	95.8	Very high	93.1	Very high	72 Å²	72	52.9 Å²	52.9	31%	0.313	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-39	173.7	-179.3	175.6	171.2	-178.4	0	111.6	V77 I78 A79 D83 A106 C107 S113 S114	V77-K110 HydrophobicContact CG1-CG 4.33Å; I78-K110 WeakPolarHBondContact O-CE 3.38Å; I78-K110 PolarHBondContact O-NZ 3.2Å; A79-K110 HydrophobicContact CB-CB 4.46Å; A79-K110 HydrophobicContact CB-CD 3.81Å; A79-K110 HydrophobicContact CB-CG 4Å; D83-K110 IonicContact OD2-NZ 3.39Å; D83-K110 PolarHBondContact OD2-NZ 3.09Å; A106-K110 WeakPolarHBondContact O-CB 3.4Å; A106-K110 PolarHBondContact O-N 3.28Å; C107-K110 PolarHBondContact O-N 3.43Å; K110-S113 PolarHBondContact O-OG 2.85Å; K110-S114 VanDerWaalsContact O-CB 3.29Å; K110-S114 WeakPolarHBondContact O-CB 3.42Å; K110-S114 PolarHBondContact O-N 3.37Å; K110-S114 PolarHBondContact O-OG 2.77Å
111	V	97	Very high	93.5	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.012	28%	0.276	C	S	.	.	H	α-helix	trans	-69.6	-47.2	172.5	173.9	0	0	0	0	111.5	A79 C107 K108 Q109 S113 S114 M115 I122 V124 F137	A79-V111 HydrophobicContact CB-CG2 3.77Å; C107-V111 WeakPolarHBondContact O-CG2 3.47Å; C107-V111 PolarHBondContact O-N 2.99Å; K108-V111 PolarHBondContact O-N 2.87Å; Q109-V111 VanDerWaalsContact C-N 3.33Å; Q109-V111 PolarHBondContact O-N 2.86Å; V111-S113 PolarHBondContact O-N 2.84Å; V111-S114 PolarHBondContact O-N 3.41Å; V111-M115 HydrophobicContact CG1-CE 3.68Å; V111-M115 HydrophobicContact CG1-CG 4.35Å; V111-M115 HydrophobicContact CG1-SD 4.17Å; V111-M115 WeakPolarHBondContact O-CB 3.36Å; V111-M115 WeakPolarHBondContact O-CG 3.42Å; V111-M115 PolarHBondContact O-N 2.98Å; V111-I122 HydrophobicContact CG1-CG2 4.14Å; V111-I122 HydrophobicContact CG2-CG2 4.17Å; V111-V124 HydrophobicContact CG2-CG2 3.85Å; V111-F137 HydrophobicContact CB-CD1 4.15Å; V111-F137 HydrophobicContact CB-CE1 4.07Å; V111-F137 HydrophobicContact CG1-CD1 3.85Å; V111-F137 HydrophobicContact CG1-CE1 4.29Å; V111-F137 HydrophobicContact CG2-CD1 4.2Å; V111-F137 HydrophobicContact CG2-CE1 3.88Å
112	W	94.3	Very high	94	Very high	105 Å²	105	44.3 Å²	44.3	40%	0.398	24%	0.243	S	C	.	.	H	α-helix	trans	-59.9	-44.5	179.2	-84.2	-49.7	0	0	0	112.9	K108 Q109 M115 C116	K108-W112 VanDerWaalsContact C-CE3 3.46Å; K108-W112 HydrophobicContact CB-CE3 3.79Å; K108-W112 HydrophobicContact CB-CH2 3.99Å; K108-W112 HydrophobicContact CB-CZ3 3.48Å; K108-W112 VanDerWaalsContact CB-CZ3 3.48Å; K108-W112 HydrophobicContact CD-CH2 4.26Å; K108-W112 HydrophobicContact CD-CZ3 4.42Å; K108-W112 HydrophobicContact CG-CZ3 4.43Å; K108-W112 WeakPolarHBondContact O-CB 3.21Å; K108-W112 VanDerWaalsContact O-CE3 3.28Å; K108-W112 PolarHBondContact O-N 2.68Å; Q109-W112 PolarHBondContact O-N 2.83Å; W112-M115 PolarHBondContact O-N 2.86Å; W112-C116 PolarHBondContact O-N 3.03Å; W112-C116 PolarHBondContact O-SG 3.1Å
113	S	94.7	Very high	94.3	Very high	54 Å²	54	39.3 Å²	39.3	38%	0.378	22%	0.22	S	C	.	.	H	α-helix	trans	-67.2	-41.1	177.3	64.4	0	0	0	0	111.6	Q109 K110 V111 M115 C116 N117	Q109-S113 WeakPolarHBondContact O-CB 3.43Å; Q109-S113 PolarHBondContact O-N 2.91Å; Q109-S113 PolarHBondContact O-OG 3.35Å; Q109-S113 VanDerWaalsContact O-OG 3.08Å; K110-S113 PolarHBondContact O-OG 2.85Å; V111-S113 PolarHBondContact O-N 2.84Å; S113-M115 VanDerWaalsContact C-N 3.33Å; S113-M115 PolarHBondContact O-N 2.84Å; S113-C116 WeakPolarHBondContact O-CB 3.49Å; S113-C116 PolarHBondContact O-N 2.78Å; S113-C116 VanDerWaalsContact O-N 3.12Å; S113-N117 WeakPolarHBondContact O-CB 3.32Å; S113-N117 PolarHBondContact O-N 3.37Å; S113-N117 PolarHBondContact O-ND2 3.43Å
114	S	96	Very high	94.6	Very high	8 Å²	8	39.3 Å²	39.3	6%	0.056	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-41.5	173.7	-59.9	0	0	0	0	112.1	K110 V111 N117 G118 V119	K110-S114 VanDerWaalsContact O-CB 3.29Å; K110-S114 WeakPolarHBondContact O-CB 3.42Å; K110-S114 PolarHBondContact O-N 3.37Å; K110-S114 PolarHBondContact O-OG 2.77Å; V111-S114 PolarHBondContact O-N 3.41Å; S114-N117 PolarHBondContact O-N 2.83Å; S114-G118 PolarHBondContact O-N 2.92Å; S114-G118 VanDerWaalsContact O-N 3.13Å; S114-V119 WeakPolarHBondContact O-CB 3.43Å; S114-V119 WeakPolarHBondContact O-CG2 3.43Å; S114-V119 PolarHBondContact O-N 3.46Å
115	M	95.2	Very high	94.9	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.03	21%	0.211	C	C	.	.	H	α-helix	trans	-68.9	-30.8	174.1	-71.4	-177	176.3	0	0	113.5	L49 V111 W112 S113 I122 E140 Y146	L49-M115 HydrophobicContact CD1-CE 3.76Å; L49-M115 HydrophobicContact CD2-CE 3.65Å; L49-M115 HydrophobicContact CG-CE 4.19Å; V111-M115 HydrophobicContact CG1-CE 3.68Å; V111-M115 HydrophobicContact CG1-CG 4.35Å; V111-M115 HydrophobicContact CG1-SD 4.17Å; V111-M115 WeakPolarHBondContact O-CB 3.36Å; V111-M115 WeakPolarHBondContact O-CG 3.42Å; V111-M115 PolarHBondContact O-N 2.98Å; W112-M115 PolarHBondContact O-N 2.86Å; S113-M115 VanDerWaalsContact C-N 3.33Å; S113-M115 PolarHBondContact O-N 2.84Å; M115-I122 HydrophobicContact CB-CD1 4.25Å; M115-I122 HydrophobicContact CG-CD1 3.46Å; M115-I122 VanDerWaalsContact CG-CD1 3.46Å; M115-E140 HydrophobicContact SD-CB 4Å; M115-E140 HydrophobicContact SD-CG 3.75Å; M115-Y146 HydrophobicContact CB-CE2 4.17Å; M115-Y146 HydrophobicContact CG-CD2 4.47Å; M115-Y146 HydrophobicContact CG-CE2 3.97Å
116	C	91.7	Very high	95.1	Very high	75 Å²	75	35.6 Å²	35.6	51%	0.507	19%	0.193	S	C	.	.	H	α-helix	trans	-70.9	-40.7	172.5	-67.6	0	0	0	0	111.8	W112 S113 G118 R144	W112-C116 PolarHBondContact O-N 3.03Å; W112-C116 PolarHBondContact O-SG 3.1Å; S113-C116 WeakPolarHBondContact O-CB 3.49Å; S113-C116 PolarHBondContact O-N 2.78Å; S113-C116 VanDerWaalsContact O-N 3.12Å; C116-G118 PolarHBondContact O-N 3.38Å; C116-R144 VanDerWaalsContact SG-CZ 3.53Å; C116-R144 PolarHBondContact SG-NH1 2.73Å; C116-R144 PolarHBondContact SG-NH2 2.85Å; C116-R144 VanDerWaalsContact SG-NH2 3.37Å
117	N	92.9	Very high	95	Very high	134 Å²	134	35.1 Å²	35.1	72%	0.717	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-3.9	177.3	-64.4	-12.7	0	0	0	112.7	S113 S114 V119	S113-N117 WeakPolarHBondContact O-CB 3.32Å; S113-N117 PolarHBondContact O-N 3.37Å; S113-N117 PolarHBondContact O-ND2 3.43Å; S114-N117 PolarHBondContact O-N 2.83Å; N117-V119 VanDerWaalsContact C-N 3.34Å; N117-V119 HydrophobicContact CB-CG2 4.37Å; N117-V119 PolarHBondContact O-N 2.83Å
118	G	91.2	Very high	95	Very high	18 Å²	18	35 Å²	35	19%	0.186	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	23.1	175.7	0	0	0	0	0	114.6	R47 S114 C116 S120	R47-G118 WeakPolarHBondContact CD-O 3.22Å; R47-G118 PolarHBondContact NE-O 3.34Å; S114-G118 PolarHBondContact O-N 2.92Å; S114-G118 VanDerWaalsContact O-N 3.13Å; C116-G118 PolarHBondContact O-N 3.38Å; G118-S120 PolarHBondContact O-N 3.42Å
119	V	94.9	Very high	94.9	Very high	20 Å²	20	33.3 Å²	33.3	12%	0.121	18%	0.18	C	C	.	.			trans	-51.9	127.7	178.8	173.5	0	0	0	0	110.3	N75 V77 S114 N117 V121 I122 Y146	N75-V119 WeakPolarHBondContact O-CG1 3.44Å; V77-V119 HydrophobicContact CB-CG1 4.3Å; V77-V119 HydrophobicContact CG2-CG1 3.98Å; V77-V119 HydrophobicContact CG2-CG2 4.36Å; S114-V119 WeakPolarHBondContact O-CB 3.43Å; S114-V119 WeakPolarHBondContact O-CG2 3.43Å; S114-V119 PolarHBondContact O-N 3.46Å; N117-V119 VanDerWaalsContact C-N 3.34Å; N117-V119 HydrophobicContact CB-CG2 4.37Å; N117-V119 PolarHBondContact O-N 2.83Å; V119-V121 WeakPolarHBondContact CG1-O 3.41Å; V119-V121 PolarHBondContact O-N 3.35Å; V119-I122 HydrophobicContact CB-CD1 4.33Å; V119-I122 HydrophobicContact CB-CG1 4.11Å; V119-I122 HydrophobicContact CG1-CG1 3.93Å; V119-Y146 PolarHBondContact N-OH 3.08Å; V119-Y146 VanDerWaalsContact O-CE1 3.26Å; V119-Y146 WeakPolarHBondContact O-CE1 3.27Å; V119-Y146 PolarHBondContact O-OH 3.44Å
120	S	95	Very high	94.9	Very high	8 Å²	8	28.1 Å²	28.1	6%	0.056	16%	0.157	C	C	.	.	S	Bend	trans	-70.5	-33	-169.2	-50.7	0	0	0	0	114.3	W44 R47 F48 N75 G118	W44-S120 VanDerWaalsContact CD2-OG 3.31Å; W44-S120 VanDerWaalsContact CE2-CB 3.46Å; W44-S120 VanDerWaalsContact CE3-CB 3.48Å; W44-S120 PolarHBondContact NE1-OG 3.47Å; R47-S120 CarbonylContact C-O 3.57Å; R47-S120 VanDerWaalsContact CA-O 3.28Å; R47-S120 WeakPolarHBondContact CA-O 3.45Å; F48-S120 PolarHBondContact N-O 2.97Å; N75-S120 PolarHBondContact O-N 3.43Å; G118-S120 PolarHBondContact O-N 3.42Å
121	V	96.9	Very high	94.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	120.1	176.8	-174.6	0	0	0	0	109.6	I36 W44 F48 V68 L71 N75 V76 V77 V119 I123	I36-V121 HydrophobicContact CG2-CG2 3.63Å; W44-V121 HydrophobicContact CH2-CG2 3.52Å; W44-V121 HydrophobicContact CZ3-CG2 3.6Å; F48-V121 HydrophobicContact CD2-CG2 4.35Å; V68-V121 HydrophobicContact CG1-CG1 4.45Å; L71-V121 HydrophobicContact CD1-CG2 4.36Å; N75-V121 PolarHBondContact O-N 3.3Å; V76-V121 CarbonylContact C-O 3.51Å; V76-V121 WeakPolarHBondContact CA-O 3.35Å; V76-V121 HydrophobicContact CG2-CB 4.3Å; V77-V121 PolarHBondContact N-O 3.38Å; V119-V121 WeakPolarHBondContact CG1-O 3.41Å; V119-V121 PolarHBondContact O-N 3.35Å; V121-I123 HydrophobicContact CG1-CD1 4.42Å; V121-I123 HydrophobicContact CG1-CG1 4.06Å
122	I	97.8	Very high	94.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.5	174.7	-56.6	171.4	0	0	0	108.1	F48 L49 V50 V77 V111 M115 V119 Y146	F48-I122 PolarHBondContact O-N 3.32Å; L49-I122 CarbonylContact C-O 3.57Å; L49-I122 WeakPolarHBondContact CA-O 3.47Å; L49-I122 HydrophobicContact CD1-CB 4.25Å; L49-I122 HydrophobicContact CD1-CG2 4.18Å; V50-I122 PolarHBondContact N-O 3.39Å; V77-I122 CarbonylContact O-C 3.49Å; V77-I122 WeakPolarHBondContact O-CA 3.35Å; V111-I122 HydrophobicContact CG1-CG2 4.14Å; V111-I122 HydrophobicContact CG2-CG2 4.17Å; M115-I122 HydrophobicContact CB-CD1 4.25Å; M115-I122 HydrophobicContact CG-CD1 3.46Å; M115-I122 VanDerWaalsContact CG-CD1 3.46Å; V119-I122 HydrophobicContact CB-CD1 4.33Å; V119-I122 HydrophobicContact CB-CG1 4.11Å; V119-I122 HydrophobicContact CG1-CG1 3.93Å; I122-Y146 HydrophobicContact CD1-CE1 3.6Å; I122-Y146 HydrophobicContact CG1-CE1 4.06Å
123	I	97.8	Very high	94.3	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.7	178.3	-53.1	-166.4	0	0	0	108.9	V50 L52 L67 V68 V77 I78 A79 V121	V50-I123 HydrophobicContact CB-CG1 4.17Å; V50-I123 HydrophobicContact CB-CG2 4.46Å; V50-I123 CarbonylContact O-C 3Å; V50-I123 VanDerWaalsContact O-CA 3.32Å; V50-I123 WeakPolarHBondContact O-CA 3.46Å; L52-I123 HydrophobicContact CD1-CG2 3.62Å; L52-I123 HydrophobicContact CD2-CG2 4.26Å; L52-I123 HydrophobicContact CG-CG2 3.69Å; L67-I123 HydrophobicContact CB-CD1 4.07Å; L67-I123 HydrophobicContact CD1-CD1 4.18Å; V68-I123 HydrophobicContact CG1-CD1 3.47Å; V68-I123 VanDerWaalsContact CG1-CD1 3.47Å; V68-I123 HydrophobicContact CG1-CG1 4.47Å; V77-I123 PolarHBondContact O-N 2.88Å; I78-I123 WeakPolarHBondContact CA-O 3.46Å; I78-I123 HydrophobicContact CG1-CB 4.24Å; I78-I123 HydrophobicContact CG2-CB 4.47Å; A79-I123 PolarHBondContact N-O 2.87Å; V121-I123 HydrophobicContact CG1-CD1 4.42Å; V121-I123 HydrophobicContact CG1-CG1 4.06Å
124	V	97.6	Very high	94.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	100.7	175.3	-173.5	0	0	0	0	108.4	L49 V50 L51 L52 A79 V111 N126 F137	L49-V124 HydrophobicContact CD1-CG2 4.05Å; V50-V124 PolarHBondContact O-N 3.12Å; L51-V124 HydrophobicContact CD2-CB 3.71Å; L51-V124 HydrophobicContact CD2-CG1 4.47Å; L51-V124 HydrophobicContact CD2-CG2 3.57Å; L52-V124 PolarHBondContact N-O 3.04Å; A79-V124 CarbonylContact O-C 3.5Å; A79-V124 WeakPolarHBondContact O-CA 3.44Å; V111-V124 HydrophobicContact CG2-CG2 3.85Å; V124-N126 VanDerWaalsContact C-N 3.28Å; V124-N126 HydrophobicContact CG1-CB 4.09Å; V124-N126 PolarHBondContact O-N 3.4Å; V124-F137 HydrophobicContact CG1-CD2 4.47Å; V124-F137 HydrophobicContact CG1-CE1 4.25Å; V124-F137 HydrophobicContact CG1-CE2 4.04Å; V124-F137 HydrophobicContact CG1-CZ 3.91Å; V124-F137 HydrophobicContact CG2-CD1 4.2Å; V124-F137 HydrophobicContact CG2-CE1 4.34Å; V124-F137 HydrophobicContact CG2-CG 4.46Å
125	D	96.6	Very high	94.1	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.053	17%	0.169	C	C	.	.			trans	-91.4	57.7	-179.1	-170.1	20.8	0	0	0	111.2	L52 K60 S61 I78 A79 S80	L52-D125 HydrophobicContact CD1-CB 4.11Å; K60-D125 WeakPolarHBondContact CB-OD1 3.41Å; S61-D125 WeakPolarHBondContact CA-OD2 3.33Å; S61-D125 WeakPolarHBondContact CB-OD2 3.43Å; S61-D125 PolarHBondContact N-OD1 3.15Å; S61-D125 PolarHBondContact N-OD2 2.84Å; S61-D125 PolarHBondContact OG-OD2 3.38Å; I78-D125 HydrophobicContact CG2-CB 3.98Å; A79-D125 PolarHBondContact O-N 3.25Å; S80-D125 WeakPolarHBondContact CB-O 3.46Å; S80-D125 PolarHBondContact OG-O 3.06Å
126	N	94.6	Very high	94	Very high	10 Å²	10	32.2 Å²	32.2	5%	0.053	18%	0.18	C	C	.	.	S	Bend	trans	-104.9	164.2	175.7	-79.9	-7.5	0	0	0	110.6	L52 K60 S80 N81 V124 N128	L52-N126 VanDerWaalsContact O-O 3.07Å; K60-N126 WeakPolarHBondContact CD-O 3.39Å; K60-N126 VanDerWaalsContact CE-C 3.46Å; K60-N126 WeakPolarHBondContact CE-O 3.38Å; S80-N126 WeakPolarHBondContact CA-OD1 3.29Å; N81-N126 VanDerWaalsContact CG-OD1 3.27Å; N81-N126 PolarHBondContact N-OD1 2.9Å; N81-N126 PolarHBondContact OD1-ND2 2.89Å; N81-N126 PolarHBondContact OD1-OD1 3.34Å; V124-N126 VanDerWaalsContact C-N 3.28Å; V124-N126 HydrophobicContact CG1-CB 4.09Å; V124-N126 PolarHBondContact O-N 3.4Å; N126-N128 VanDerWaalsContact C-N 3.31Å; N126-N128 PolarHBondContact O-N 2.92Å
127	C	92.8	Very high	94.2	Very high	25 Å²	25	29 Å²	29	17%	0.169	16%	0.158	C	C	.	.			trans	-65.7	-35.1	177.5	-67.7	0	0	0	0	112.8	G54 K60 L129 M181	G54-C127 PolarHBondContact N-O 2.94Å; G54-C127 WeakPolarHBondContact O-CA 3.39Å; K60-C127 PolarHBondContact NZ-SG 3.38Å; C127-L129 HydrophobicContact CB-CD2 3.9Å; C127-L129 HydrophobicContact CB-CG 4.16Å; C127-L129 PolarHBondContact O-N 3.11Å; C127-M181 HydrophobicContact CB-CE 4.03Å
128	N	94	Very high	94.3	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.124	C	C	.	.			trans	51.1	53.9	173.3	-70	-33.4	0	0	0	111.5	L52 R53 N126 E133 M134	L52-N128 PolarHBondContact O-ND2 2.89Å; R53-N128 HydrophobicContact CB-CB 4.4Å; R53-N128 WeakPolarHBondContact CD-O 3.48Å; R53-N128 HydrophobicContact CG-CB 4.43Å; R53-N128 WeakPolarHBondContact CG-O 3.26Å; R53-N128 PolarHBondContact NE-O 3.4Å; N126-N128 VanDerWaalsContact C-N 3.31Å; N126-N128 PolarHBondContact O-N 2.92Å; N128-E133 WeakPolarHBondContact CA-OE2 3.32Å; N128-E133 PolarHBondContact N-OE2 2.86Å; N128-M134 HydrophobicContact CB-CG 3.68Å; N128-M134 HydrophobicContact CB-SD 3.85Å
129	L	92.8	Very high	94.4	Very high	17 Å²	17	27.7 Å²	27.7	9%	0.089	14%	0.137	C	C	.	.			trans	-67.6	-40.5	-172.2	-55.4	179.4	0	0	0	111	R53 L55 C127 E133 M181 T184 F185 E186	R53-L129 PolarHBondContact NH2-O 3.32Å; L55-L129 HydrophobicContact CD1-CD2 4.36Å; L55-L129 HydrophobicContact CG-CD2 4.36Å; C127-L129 HydrophobicContact CB-CD2 3.9Å; C127-L129 HydrophobicContact CB-CG 4.16Å; C127-L129 PolarHBondContact O-N 3.11Å; L129-E133 PolarHBondContact N-OE1 2.8Å; L129-E133 PolarHBondContact N-OE2 2.9Å; L129-M181 HydrophobicContact CD1-CB 3.98Å; L129-M181 HydrophobicContact CD1-CE 4.02Å; L129-M181 HydrophobicContact CD1-CG 3.94Å; L129-M181 HydrophobicContact CD2-CB 4.37Å; L129-M181 HydrophobicContact CD2-CE 4.39Å; L129-T184 HydrophobicContact CB-CG2 4.13Å; L129-T184 HydrophobicContact CD1-CG2 4.24Å; L129-F185 HydrophobicContact CD2-CD2 3.85Å; L129-E186 PolarHBondContact O-N 3.12Å; L129-E186 VanDerWaalsContact O-N 3.1Å
130	T	92.7	Very high	94.3	Very high	25 Å²	25	27.8 Å²	27.8	15%	0.153	14%	0.136	C	C	.	.	S	Bend	trans	-110.8	158.4	178.6	64.3	0	0	0	0	112.6	L132 E133 T184 E186	T130-L132 PolarHBondContact O-N 3.39Å; T130-E133 WeakPolarHBondContact CB-OE1 3.42Å; T130-E133 PolarHBondContact N-OE1 3.03Å; T130-E133 PolarHBondContact O-N 3.5Å; T130-E133 WeakPolarHBondContact OG1-CG 3.28Å; T130-E133 PolarHBondContact OG1-N 3.04Å; T130-E133 PolarHBondContact OG1-OE1 2.76Å; T130-T184 HydrophobicContact CG2-CG2 3.81Å; T130-E186 WeakPolarHBondContact CA-OE1 3.31Å; T130-E186 VanDerWaalsContact CB-OE1 3.22Å; T130-E186 WeakPolarHBondContact CB-OE1 3.18Å; T130-E186 HydrophobicContact CG2-CG 4.46Å
131	R	91.3	Very high	94.3	Very high	61 Å²	61	27.4 Å²	27.4	23%	0.23	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-33.9	167	177.3	-174.3	173.1	-179.1	5.1	112	E133 M134 D135 E186 L189 I194 Q197	R131-E133 VanDerWaalsContact C-N 3.32Å; R131-E133 PolarHBondContact O-N 3.46Å; R131-M134 PolarHBondContact O-N 3.17Å; R131-D135 WeakPolarHBondContact O-CB 3.38Å; R131-D135 PolarHBondContact O-N 2.92Å; R131-E186 VanDerWaalsContact CB-OE2 3.31Å; R131-E186 WeakPolarHBondContact CB-OE2 3.47Å; R131-E186 VanDerWaalsContact N-CD 3.34Å; R131-E186 PolarHBondContact N-OE1 3.06Å; R131-E186 PolarHBondContact N-OE2 3.36Å; R131-L189 HydrophobicContact CB-CD1 4.38Å; R131-L189 HydrophobicContact CB-CD2 4.4Å; R131-I194 HydrophobicContact CG-CD1 4.2Å; R131-I194 HydrophobicContact CG-CG1 4.28Å; R131-I194 HydrophobicContact CG-CG2 4.48Å; R131-Q197 VanDerWaalsContact CZ-OE1 3.24Å
132	L	91.1	Very high	94.2	Very high	139 Å²	139	28.4 Å²	28.4	73%	0.728	14%	0.14	S	C	*	.	H	α-helix	trans	-66	-32.1	-177.2	-64.7	176.3	0	0	0	112.8	T130 M134 P136	T130-L132 PolarHBondContact O-N 3.39Å; L132-M134 VanDerWaalsContact C-N 3.32Å; L132-P136 WeakPolarHBondContact O-CD 3.39Å
133	E	92.3	Very high	93.9	Very high	65 Å²	65	35.1 Å²	35.1	30%	0.304	17%	0.169	S	C	.	.	H	α-helix	trans	-63.6	-37.8	169.9	-73.1	154.1	-110.7	0	0	112.2	N128 L129 T130 R131	N128-E133 WeakPolarHBondContact CA-OE2 3.32Å; N128-E133 PolarHBondContact N-OE2 2.86Å; L129-E133 PolarHBondContact N-OE1 2.8Å; L129-E133 PolarHBondContact N-OE2 2.9Å; T130-E133 WeakPolarHBondContact CB-OE1 3.42Å; T130-E133 PolarHBondContact N-OE1 3.03Å; T130-E133 PolarHBondContact O-N 3.5Å; T130-E133 WeakPolarHBondContact OG1-CG 3.28Å; T130-E133 PolarHBondContact OG1-N 3.04Å; T130-E133 PolarHBondContact OG1-OE1 2.76Å; R131-E133 VanDerWaalsContact C-N 3.32Å; R131-E133 PolarHBondContact O-N 3.46Å
134	M	94.3	Very high	93.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-84	-35.2	-174.1	-68.4	-170.3	-76.1	0	0	114	L51 N128 R131 L132 P136 F137 I138 L150 L189	L51-M134 HydrophobicContact CB-SD 4.42Å; L51-M134 HydrophobicContact CD1-CB 3.95Å; L51-M134 HydrophobicContact CD1-CG 4.12Å; L51-M134 HydrophobicContact CD1-SD 4.12Å; N128-M134 HydrophobicContact CB-CG 3.68Å; N128-M134 HydrophobicContact CB-SD 3.85Å; R131-M134 PolarHBondContact O-N 3.17Å; L132-M134 VanDerWaalsContact C-N 3.32Å; M134-P136 VanDerWaalsContact C-CD 3.44Å; M134-F137 WeakPolarHBondContact O-CB 3.23Å; M134-F137 PolarHBondContact O-N 3.25Å; M134-I138 HydrophobicContact CB-CD1 3.97Å; M134-I138 HydrophobicContact CB-CG1 4.44Å; M134-I138 WeakPolarHBondContact O-CG1 3.2Å; M134-I138 PolarHBondContact O-N 3.39Å; M134-L150 HydrophobicContact CE-CD1 4.28Å; M134-L150 HydrophobicContact CE-CD2 4.16Å; M134-L150 HydrophobicContact SD-CD1 3.47Å; M134-L150 WeakPolarHBondContact SD-CD1 3.1Å; M134-L150 HydrophobicContact SD-CD2 4.3Å; M134-L189 HydrophobicContact CE-CD1 3.54Å
135	D	92.8	Very high	93.4	Very high	28 Å²	28	42.2 Å²	42.2	15%	0.15	20%	0.201	C	C	.	.	H	α-helix	trans	-49	-42.2	-172.8	177.8	98.6	0	0	0	114.6	R131 F137 I138 R139	R131-D135 WeakPolarHBondContact O-CB 3.38Å; R131-D135 PolarHBondContact O-N 2.92Å; D135-F137 PolarHBondContact O-N 3.41Å; D135-I138 PolarHBondContact O-N 2.98Å; D135-R139 VanDerWaalsContact CG-NE 3.32Å; D135-R139 WeakPolarHBondContact O-CG 3.34Å; D135-R139 PolarHBondContact O-N 2.96Å; D135-R139 IonicContact OD1-CZ 2.77Å; D135-R139 IonicContact OD1-NE 3.52Å; D135-R139 PolarHBondContact OD1-NE 3.01Å; D135-R139 IonicContact OD1-NH2 2.73Å; D135-R139 PolarHBondContact OD1-NH2 3.06Å; D135-R139 IonicContact OD2-CZ 3.2Å; D135-R139 IonicContact OD2-NE 2.75Å; D135-R139 PolarHBondContact OD2-NE 2.79Å; D135-R139 IonicContact OD2-NH2 3.86Å; D135-R139 PolarHBondContact OD2-NH2 3.18Å
136	P	92.9	Very high	93.4	Very high	40 Å²	40	42 Å²	42	26%	0.26	20%	0.199	S	C	.	.	H	α-helix	trans	-60.8	-39.1	175.4	-24.6	35.3	0	0	0	114	L132 M134 E140	L132-P136 WeakPolarHBondContact O-CD 3.39Å; M134-P136 VanDerWaalsContact C-CD 3.44Å; P136-E140 PolarHBondContact O-N 3.09Å
137	F	95.7	Very high	93.4	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.035	20%	0.199	C	C	.	.	H	α-helix	trans	-70.6	-41.9	176.8	-57	-73.1	0	0	0	110.9	L49 L51 K108 V111 V124 M134 D135 G141	L49-F137 HydrophobicContact CD2-CB 4.36Å; L49-F137 VanDerWaalsContact CD2-O 3.25Å; L49-F137 WeakPolarHBondContact CD2-O 3.43Å; L51-F137 HydrophobicContact CD2-CB 3.91Å; L51-F137 HydrophobicContact CD2-CG 4.36Å; K108-F137 HydrophobicContact CB-CE1 4.36Å; K108-F137 HydrophobicContact CG-CE1 3.7Å; K108-F137 HydrophobicContact CG-CE2 4.49Å; K108-F137 HydrophobicContact CG-CZ 3.62Å; V111-F137 HydrophobicContact CB-CD1 4.15Å; V111-F137 HydrophobicContact CB-CE1 4.07Å; V111-F137 HydrophobicContact CG1-CD1 3.85Å; V111-F137 HydrophobicContact CG1-CE1 4.29Å; V111-F137 HydrophobicContact CG2-CD1 4.2Å; V111-F137 HydrophobicContact CG2-CE1 3.88Å; V124-F137 HydrophobicContact CG1-CD2 4.47Å; V124-F137 HydrophobicContact CG1-CE1 4.25Å; V124-F137 HydrophobicContact CG1-CE2 4.04Å; V124-F137 HydrophobicContact CG1-CZ 3.91Å; V124-F137 HydrophobicContact CG2-CD1 4.2Å; V124-F137 HydrophobicContact CG2-CE1 4.34Å; V124-F137 HydrophobicContact CG2-CG 4.46Å; M134-F137 WeakPolarHBondContact O-CB 3.23Å; M134-F137 PolarHBondContact O-N 3.25Å; D135-F137 PolarHBondContact O-N 3.41Å; F137-G141 PolarHBondContact O-N 2.87Å
138	I	95.4	Very high	93.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-49.1	179.4	-59.2	173.8	0	0	0	110.3	L51 M134 D135 E140 G141 V142 V148 I191 I194 L195 I198	L51-I138 HydrophobicContact CD1-CD1 4.02Å; L51-I138 HydrophobicContact CD1-CG1 3.52Å; M134-I138 HydrophobicContact CB-CD1 3.97Å; M134-I138 HydrophobicContact CB-CG1 4.44Å; M134-I138 WeakPolarHBondContact O-CG1 3.2Å; M134-I138 PolarHBondContact O-N 3.39Å; D135-I138 PolarHBondContact O-N 2.98Å; I138-E140 PolarHBondContact O-N 3.04Å; I138-G141 PolarHBondContact O-N 2.87Å; I138-V142 HydrophobicContact CG2-CG2 4.32Å; I138-V142 WeakPolarHBondContact O-CB 3.28Å; I138-V142 VanDerWaalsContact O-CG2 3.29Å; I138-V142 WeakPolarHBondContact O-CG2 3.49Å; I138-V142 PolarHBondContact O-N 2.9Å; I138-V148 HydrophobicContact CG1-CG1 4.24Å; I138-V148 HydrophobicContact CG2-CG1 4.43Å; I138-I191 HydrophobicContact CD1-CD1 3.98Å; I138-I191 HydrophobicContact CG1-CD1 4.5Å; I138-I194 HydrophobicContact CD1-CG2 3.63Å; I138-L195 HydrophobicContact CG2-CD2 3.66Å; I138-I198 HydrophobicContact CB-CD1 4.13Å; I138-I198 HydrophobicContact CG2-CD1 3.55Å
139	R	93.4	Very high	93.6	Very high	124 Å²	124	44 Å²	44	47%	0.468	21%	0.208	S	C	.	.	H	α-helix	trans	-59.9	-45.2	-179.8	-72	-173.6	-161.8	-95	-15	112.5	D135 K143 I198	D135-R139 VanDerWaalsContact CG-NE 3.32Å; D135-R139 WeakPolarHBondContact O-CG 3.34Å; D135-R139 PolarHBondContact O-N 2.96Å; D135-R139 IonicContact OD1-CZ 2.77Å; D135-R139 IonicContact OD1-NE 3.52Å; D135-R139 PolarHBondContact OD1-NE 3.01Å; D135-R139 IonicContact OD1-NH2 2.73Å; D135-R139 PolarHBondContact OD1-NH2 3.06Å; D135-R139 IonicContact OD2-CZ 3.2Å; D135-R139 IonicContact OD2-NE 2.75Å; D135-R139 PolarHBondContact OD2-NE 2.79Å; D135-R139 IonicContact OD2-NH2 3.86Å; D135-R139 PolarHBondContact OD2-NH2 3.18Å; R139-K143 WeakPolarHBondContact O-CB 3.41Å; R139-K143 PolarHBondContact O-N 3.28Å; R139-I198 HydrophobicContact CG-CD1 4.13Å; R139-I198 HydrophobicContact CG-CG1 4.43Å; R139-I198 HydrophobicContact CG-CG2 4.1Å
140	E	93.4	Very high	93.7	Very high	22 Å²	22	44.7 Å²	44.7	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-71.6	-37.3	179.4	-164.9	79.1	179	0	0	112.1	M115 P136 I138 K143 R144	M115-E140 HydrophobicContact SD-CB 4Å; M115-E140 HydrophobicContact SD-CG 3.75Å; P136-E140 PolarHBondContact O-N 3.09Å; I138-E140 PolarHBondContact O-N 3.04Å; E140-K143 VanDerWaalsContact CD-NZ 3.3Å; E140-K143 PolarHBondContact O-N 2.84Å; E140-K143 IonicContact OE1-NZ 3.12Å; E140-K143 PolarHBondContact OE1-NZ 3.31Å; E140-K143 VanDerWaalsContact OE1-NZ 3.12Å; E140-K143 WeakPolarHBondContact OE2-CD 3.41Å; E140-K143 WeakPolarHBondContact OE2-CE 3.35Å; E140-K143 IonicContact OE2-NZ 2.7Å; E140-K143 PolarHBondContact OE2-NZ 2.79Å; E140-R144 WeakPolarHBondContact O-CB 3.02Å; E140-R144 WeakPolarHBondContact O-CG 3.4Å; E140-R144 PolarHBondContact O-N 2.92Å; E140-R144 IonicContact OE1-CZ 2.6Å; E140-R144 IonicContact OE1-NE 3.92Å; E140-R144 PolarHBondContact OE1-NE 2.78Å; E140-R144 IonicContact OE1-NH2 3.09Å; E140-R144 PolarHBondContact OE1-NH2 2.71Å
141	G	95	Very high	93.8	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.1	-51.5	174.1	0	0	0	0	0	111.9	F137 I138 R144 N145 Y146	F137-G141 PolarHBondContact O-N 2.87Å; I138-G141 PolarHBondContact O-N 2.87Å; G141-R144 CarbonylContact O-C 3.53Å; G141-R144 PolarHBondContact O-N 3.22Å; G141-R144 VanDerWaalsContact O-N 3.13Å; G141-N145 PolarHBondContact O-N 3.21Å; G141-Y146 WeakPolarHBondContact O-CB 3.43Å; G141-Y146 PolarHBondContact O-N 2.9Å
142	V	93.4	Very high	93.9	Very high	21 Å²	21	43.8 Å²	43.8	13%	0.127	21%	0.209	C	C	.	.	H	α-helix	trans	-54.4	-54.8	173	168.5	0	0	0	0	110.5	I138 R144 N145 V148 L195 M212	I138-V142 HydrophobicContact CG2-CG2 4.32Å; I138-V142 WeakPolarHBondContact O-CB 3.28Å; I138-V142 VanDerWaalsContact O-CG2 3.29Å; I138-V142 WeakPolarHBondContact O-CG2 3.49Å; I138-V142 PolarHBondContact O-N 2.9Å; V142-R144 PolarHBondContact O-N 3.4Å; V142-N145 PolarHBondContact O-N 3.32Å; V142-V148 HydrophobicContact CG2-CG2 4.21Å; V142-L195 HydrophobicContact CG2-CD2 3.4Å; V142-M212 HydrophobicContact CG1-CE 4.34Å; V142-M212 HydrophobicContact CG1-SD 3.77Å; V142-M212 WeakPolarHBondContact O-CE 3.32Å
143	K	92.7	Very high	93.9	Very high	140 Å²	140	37.4 Å²	37.4	61%	0.609	18%	0.175	S	C	*	.	H	α-helix	trans	-55.3	-20.1	178.6	172.6	178.6	153.1	-153.7	0	114.3	R139 E140	R139-K143 WeakPolarHBondContact O-CB 3.41Å; R139-K143 PolarHBondContact O-N 3.28Å; E140-K143 VanDerWaalsContact CD-NZ 3.3Å; E140-K143 PolarHBondContact O-N 2.84Å; E140-K143 IonicContact OE1-NZ 3.12Å; E140-K143 PolarHBondContact OE1-NZ 3.31Å; E140-K143 VanDerWaalsContact OE1-NZ 3.12Å; E140-K143 WeakPolarHBondContact OE2-CD 3.41Å; E140-K143 WeakPolarHBondContact OE2-CE 3.35Å; E140-K143 IonicContact OE2-NZ 2.7Å; E140-K143 PolarHBondContact OE2-NZ 2.79Å
144	R	92.7	Very high	93.8	Very high	76 Å²	76	37 Å²	37	29%	0.287	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	16.8	-179.7	-65.4	178.2	-176.6	-104	3.6	114.4	C116 E140 G141 V142 Y146	C116-R144 VanDerWaalsContact SG-CZ 3.53Å; C116-R144 PolarHBondContact SG-NH1 2.73Å; C116-R144 PolarHBondContact SG-NH2 2.85Å; C116-R144 VanDerWaalsContact SG-NH2 3.37Å; E140-R144 WeakPolarHBondContact O-CB 3.02Å; E140-R144 WeakPolarHBondContact O-CG 3.4Å; E140-R144 PolarHBondContact O-N 2.92Å; E140-R144 IonicContact OE1-CZ 2.6Å; E140-R144 IonicContact OE1-NE 3.92Å; E140-R144 PolarHBondContact OE1-NE 2.78Å; E140-R144 IonicContact OE1-NH2 3.09Å; E140-R144 PolarHBondContact OE1-NH2 2.71Å; G141-R144 CarbonylContact O-C 3.53Å; G141-R144 PolarHBondContact O-N 3.22Å; G141-R144 VanDerWaalsContact O-N 3.13Å; V142-R144 PolarHBondContact O-N 3.4Å; R144-Y146 VanDerWaalsContact C-N 3.33Å; R144-Y146 HydrophobicContact CB-CD2 3.82Å; R144-Y146 HydrophobicContact CB-CE2 3.96Å; R144-Y146 PolarHBondContact O-N 2.59Å
145	N	92.6	Very high	93.6	Very high	74 Å²	74	37.9 Å²	37.9	40%	0.396	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	35.8	-179.4	-62.9	-56.3	0	0	0	114.3	G141 V142 M212	G141-N145 PolarHBondContact O-N 3.21Å; V142-N145 PolarHBondContact O-N 3.32Å; N145-M212 VanDerWaalsContact OD1-CE 3.31Å; N145-M212 WeakPolarHBondContact OD1-CE 3.47Å; N145-M212 WeakPolarHBondContact OD1-CG 3.14Å
146	Y	96.4	Very high	93.3	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	132.6	167.3	-76	-108.3	0	0	0	110.1	R47 L49 M115 V119 I122 G141 R144 V148	R47-Y146 HydrophobicContact CB-CD1 3.68Å; R47-Y146 HydrophobicContact CB-CD2 4.38Å; R47-Y146 HydrophobicContact CB-CE1 3.62Å; R47-Y146 HydrophobicContact CB-CE2 4.34Å; R47-Y146 HydrophobicContact CB-CG 4.05Å; R47-Y146 VanDerWaalsContact CD-CZ 3.5Å; R47-Y146 WeakPolarHBondContact CD-OH 3.38Å; R47-Y146 HydrophobicContact CG-CE1 4.45Å; L49-Y146 HydrophobicContact CB-CD1 4.14Å; L49-Y146 HydrophobicContact CB-CG 4.4Å; M115-Y146 HydrophobicContact CB-CE2 4.17Å; M115-Y146 HydrophobicContact CG-CD2 4.47Å; M115-Y146 HydrophobicContact CG-CE2 3.97Å; V119-Y146 PolarHBondContact N-OH 3.08Å; V119-Y146 VanDerWaalsContact O-CE1 3.26Å; V119-Y146 WeakPolarHBondContact O-CE1 3.27Å; V119-Y146 PolarHBondContact O-OH 3.44Å; I122-Y146 HydrophobicContact CD1-CE1 3.6Å; I122-Y146 HydrophobicContact CG1-CE1 4.06Å; G141-Y146 WeakPolarHBondContact O-CB 3.43Å; G141-Y146 PolarHBondContact O-N 2.9Å; R144-Y146 VanDerWaalsContact C-N 3.33Å; R144-Y146 HydrophobicContact CB-CD2 3.82Å; R144-Y146 HydrophobicContact CB-CE2 3.96Å; R144-Y146 PolarHBondContact O-N 2.59Å; Y146-V148 PolarHBondContact O-N 3.3Å
147	C	93.9	Very high	93.3	Very high	8 Å²	8	41.5 Å²	41.5	5%	0.054	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	110.6	163.9	-68.4	0	0	0	0	108	R47 F48 L49 H149	R47-C147 PolarHBondContact O-N 2.92Å; F48-C147 WeakPolarHBondContact CA-O 3.27Å; F48-C147 HydrophobicContact CD1-CB 4.1Å; F48-C147 HydrophobicContact CE1-CB 4.45Å; L49-C147 PolarHBondContact N-O 3.24Å; C147-H149 PolarHBondContact O-CD2 2.75Å
148	V	96.1	Very high	93	Very high	14 Å²	14	44.4 Å²	44.4	9%	0.085	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.8	-176.9	-170.9	0	0	0	0	110.4	L49 I138 V142 Y146 I191	L49-V148 HydrophobicContact CB-CG2 4.4Å; L49-V148 HydrophobicContact CD2-CG1 4.1Å; L49-V148 HydrophobicContact CD2-CG2 4.12Å; L49-V148 HydrophobicContact CG-CG1 4.45Å; L49-V148 CarbonylContact O-C 3.57Å; L49-V148 WeakPolarHBondContact O-CA 3.37Å; I138-V148 HydrophobicContact CG1-CG1 4.24Å; I138-V148 HydrophobicContact CG2-CG1 4.43Å; V142-V148 HydrophobicContact CG2-CG2 4.21Å; Y146-V148 PolarHBondContact O-N 3.3Å; V148-I191 HydrophobicContact CG1-CD1 3.96Å
149	H	95.4	Very high	92.9	Very high	57 Å²	57	48.3 Å²	48.3	26%	0.264	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140.9	177.1	-64.2	-86.5	0	0	0	110.1	L32 F48 L49 L51 C147	L32-H149 HydrophobicContact CD2-CB 3.86Å; F48-H149 AromaticContact CD1-NE2 3.97Å; L49-H149 PolarHBondContact O-N 2.93Å; L51-H149 PolarHBondContact N-O 3.22Å; C147-H149 PolarHBondContact O-CD2 2.75Å
150	L	95.1	Very high	92.8	Very high	32 Å²	32	45.8 Å²	45.8	17%	0.168	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	125.1	172.5	177.7	57.3	0	0	0	108.2	L51 R53 M134 L189 I191	L51-L150 HydrophobicContact CB-CD1 4.05Å; L51-L150 WeakPolarHBondContact O-CA 3.01Å; R53-L150 HydrophobicContact CB-CD1 3.84Å; M134-L150 HydrophobicContact CE-CD1 4.28Å; M134-L150 HydrophobicContact CE-CD2 4.16Å; M134-L150 HydrophobicContact SD-CD1 3.47Å; M134-L150 WeakPolarHBondContact SD-CD1 3.1Å; M134-L150 HydrophobicContact SD-CD2 4.3Å; L150-L189 HydrophobicContact CD2-CB 4.34Å; L150-I191 HydrophobicContact CB-CB 4.04Å; L150-I191 HydrophobicContact CB-CD1 4.44Å; L150-I191 HydrophobicContact CB-CG1 4.4Å
151	L	94.1	Very high	92.7	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.089	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138	-176.7	-54.4	175	0	0	0	111.7	I29 L32 V50 L51 L52 R53 L63 L67	I29-L151 HydrophobicContact CG1-CD1 4.45Å; I29-L151 HydrophobicContact CG1-CD2 4.15Å; L32-L151 HydrophobicContact CD2-CD1 3.88Å; L32-L151 HydrophobicContact CD2-CD2 4.04Å; L32-L151 HydrophobicContact CD2-CG 4.34Å; V50-L151 HydrophobicContact CG1-CD1 3.41Å; V50-L151 VanDerWaalsContact CG1-CD1 3.41Å; V50-L151 HydrophobicContact CG1-CG 3.94Å; L51-L151 PolarHBondContact O-N 3.41Å; L52-L151 CarbonylContact C-O 3.54Å; L52-L151 WeakPolarHBondContact CA-O 3.47Å; L52-L151 HydrophobicContact CD2-CB 4.17Å; L52-L151 HydrophobicContact CD2-CD1 4.23Å; R53-L151 PolarHBondContact N-O 3.44Å; L63-L151 HydrophobicContact CD2-CB 4.14Å; L67-L151 HydrophobicContact CD1-CD1 3.63Å; L67-L151 HydrophobicContact CD2-CD1 4.42Å
152	E	93.1	Very high	92.6	Very high	50 Å²	50	50.5 Å²	50.5	23%	0.234	25%	0.247	C	C	.	.			trans	-112.2	143.6	169.7	-62.1	-178.6	166	0	0	110.6	R53 R158 Y159 F185	R53-E152 HydrophobicContact CB-CG 3.99Å; R53-E152 HydrophobicContact CG-CG 4.12Å; R53-E152 IonicContact CZ-OE1 2.69Å; R53-E152 IonicContact NH1-OE1 2.81Å; R53-E152 PolarHBondContact NH1-OE1 2.6Å; R53-E152 WeakPolarHBondContact O-CA 3.06Å; E152-R158 IonicContact OE2-CZ 2.71Å; E152-R158 IonicContact OE2-NH1 3.23Å; E152-R158 PolarHBondContact OE2-NH1 3.5Å; E152-R158 IonicContact OE2-NH2 2.87Å; E152-R158 PolarHBondContact OE2-NH2 2.95Å; E152-Y159 PolarHBondContact OE2-OH 3.45Å; E152-F185 WeakPolarHBondContact OE1-CZ 3.37Å
153	P	92.2	Very high	92.5	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.032	26%	0.26	C	S	.	.			trans	-56.5	139.8	167.3	-25.2	35.1	0	0	0	111.8	R53 S58 K60 L63 T155 R158	R53-P153 WeakPolarHBondContact O-CD 3.1Å; S58-P153 VanDerWaalsContact O-CB 3.25Å; S58-P153 WeakPolarHBondContact O-CB 3.25Å; K60-P153 HydrophobicContact CB-CG 4.42Å; K60-P153 HydrophobicContact CG-CG 4.03Å; L63-P153 HydrophobicContact CD2-CG 4.38Å; P153-T155 VanDerWaalsContact C-N 3.25Å; P153-T155 HydrophobicContact CB-CG2 4.35Å; P153-T155 PolarHBondContact O-N 3.15Å; P153-R158 WeakPolarHBondContact O-CD 3.14Å; P153-R158 PolarHBondContact O-NH1 3.01Å
154	C	89.1	Confident	92.5	Very high	57 Å²	57	47.2 Å²	47.2	39%	0.385	23%	0.231	S	C	.	.			trans	-88.9	17.7	179.3	-49	0	0	0	0	113.1	S26	S26-C154 PolarHBondContact N-SG 2.84Å; S26-C154 VanDerWaalsContact N-SG 3.42Å
155	T	89.5	Confident	92.4	Very high	18 Å²	18	45.9 Å²	45.9	11%	0.11	23%	0.231	C	C	.	.			trans	-71	137.1	-172.7	55.7	0	0	0	0	111.5	S58 P153 W157 R158	S58-T155 WeakPolarHBondContact O-CG2 3.42Å; S58-T155 PolarHBondContact O-OG1 3.14Å; P153-T155 VanDerWaalsContact C-N 3.25Å; P153-T155 HydrophobicContact CB-CG2 4.35Å; P153-T155 PolarHBondContact O-N 3.15Å; T155-W157 HydrophobicContact CG2-CH2 3.54Å; T155-W157 HydrophobicContact CG2-CZ2 3.54Å; T155-W157 HydrophobicContact CG2-CZ3 4.12Å; T155-W157 PolarHBondContact O-N 3.16Å; T155-R158 WeakPolarHBondContact O-CB 3.36Å; T155-R158 WeakPolarHBondContact O-CD 3.3Å; T155-R158 VanDerWaalsContact O-CG 3.29Å; T155-R158 WeakPolarHBondContact O-CG 3.39Å; T155-R158 PolarHBondContact O-N 3.11Å; T155-R158 VanDerWaalsContact O-N 3.09Å
156	T	88	Confident	92.2	Very high	112 Å²	112	50.7 Å²	50.7	69%	0.687	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-12	-174.2	56.7	0	0	0	0	114
157	W	91.6	Very high	91.8	Very high	31 Å²	31	54.5 Å²	54.5	12%	0.117	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	5.5	179.1	67.1	86.8	0	0	0	114.2	F23 G57 T155 Y159 N160 K163 L167	F23-W157 HydrophobicContact CD1-CH2 4Å; F23-W157 HydrophobicContact CD1-CZ3 4.05Å; F23-W157 HydrophobicContact CD2-CH2 4.26Å; F23-W157 AromaticContact CE1-CH2 3.61Å; F23-W157 HydrophobicContact CE1-CH2 3.61Å; F23-W157 AromaticContact CE1-CZ3 3.6Å; F23-W157 HydrophobicContact CE1-CZ3 3.6Å; F23-W157 AromaticContact CE2-CH2 3.89Å; F23-W157 HydrophobicContact CE2-CH2 3.89Å; F23-W157 HydrophobicContact CG-CH2 4.32Å; F23-W157 AromaticContact CZ-CH2 3.55Å; F23-W157 HydrophobicContact CZ-CH2 3.55Å; F23-W157 AromaticContact CZ-CZ3 3.96Å; F23-W157 HydrophobicContact CZ-CZ3 3.96Å; G57-W157 PolarHBondContact O-NE1 2.89Å; T155-W157 HydrophobicContact CG2-CH2 3.54Å; T155-W157 HydrophobicContact CG2-CZ2 3.54Å; T155-W157 HydrophobicContact CG2-CZ3 4.12Å; T155-W157 PolarHBondContact O-N 3.16Å; W157-Y159 PolarHBondContact O-N 3Å; W157-N160 HydrophobicContact CB-CB 4.4Å; W157-N160 PolarHBondContact O-N 2.71Å; W157-K163 HydrophobicContact CB-CB 3.78Å; W157-K163 HydrophobicContact CB-CD 3.46Å; W157-K163 VanDerWaalsContact CB-CD 3.46Å; W157-K163 HydrophobicContact CB-CG 4.25Å; W157-K163 HydrophobicContact CG-CB 4.26Å; W157-K163 HydrophobicContact CG-CD 4.37Å; W157-L167 HydrophobicContact CD2-CD1 3.96Å; W157-L167 HydrophobicContact CG-CD1 4.02Å; W157-L167 HydrophobicContact CZ2-CD1 4.12Å
158	R	90.9	Very high	91.3	Very high	69 Å²	69	55.1 Å²	55.1	26%	0.26	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-18	-172.9	68.1	-167	-166.7	129.8	10.8	116.1	E152 P153 T155	E152-R158 IonicContact OE2-CZ 2.71Å; E152-R158 IonicContact OE2-NH1 3.23Å; E152-R158 PolarHBondContact OE2-NH1 3.5Å; E152-R158 IonicContact OE2-NH2 2.87Å; E152-R158 PolarHBondContact OE2-NH2 2.95Å; P153-R158 WeakPolarHBondContact O-CD 3.14Å; P153-R158 PolarHBondContact O-NH1 3.01Å; T155-R158 WeakPolarHBondContact O-CB 3.36Å; T155-R158 WeakPolarHBondContact O-CD 3.3Å; T155-R158 VanDerWaalsContact O-CG 3.29Å; T155-R158 WeakPolarHBondContact O-CG 3.39Å; T155-R158 PolarHBondContact O-N 3.11Å; T155-R158 VanDerWaalsContact O-N 3.09Å
159	Y	91.5	Very high	90.3	Very high	84 Å²	84	62.5 Å²	62.5	33%	0.329	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	8.4	176.1	-56.6	-48.9	0	0	0	114.2	E152 W157 L182 F185	E152-Y159 PolarHBondContact OE2-OH 3.45Å; W157-Y159 PolarHBondContact O-N 3Å; Y159-L182 HydrophobicContact CD1-CD2 4.11Å; Y159-F185 AromaticContact CE1-CD1 3.97Å; Y159-F185 HydrophobicContact CE1-CD1 3.97Å; Y159-F185 AromaticContact CE1-CE1 3.5Å; Y159-F185 HydrophobicContact CE1-CE1 3.5Å; Y159-F185 HydrophobicContact CE1-CZ 4.06Å; Y159-F185 AromaticContact CZ-CE1 3.93Å; Y159-F185 WeakPolarHBondContact OH-CE1 3.18Å
160	N	91.6	Very high	89.1	Confident	71 Å²	71	61.5 Å²	61.5	38%	0.38	30%	0.301	S	S	.	.			trans	-98.1	97.7	-178.7	-176	-62	0	0	0	110.2	W157 K162 K163 L164	W157-N160 HydrophobicContact CB-CB 4.4Å; W157-N160 PolarHBondContact O-N 2.71Å; N160-K162 VanDerWaalsContact C-N 3.26Å; N160-K162 PolarHBondContact O-N 3.32Å; N160-K162 VanDerWaalsContact O-N 3.17Å; N160-K162 PolarHBondContact OD1-N 3.07Å; N160-K163 HydrophobicContact CB-CB 4.23Å; N160-K163 PolarHBondContact O-N 3.03Å; N160-K163 PolarHBondContact OD1-N 2.84Å; N160-L164 WeakPolarHBondContact O-CG 3.43Å; N160-L164 PolarHBondContact O-N 3.39Å
161	A	92.6	Very high	87.4	Confident	10 Å²	10	65.6 Å²	65.6	8%	0.083	33%	0.327	C	S	.	.	H	α-helix	trans	-50.2	-44.2	-176.3	0	0	0	0	0	113.6	K163 L164 V165 I178 N179 L182	A161-K163 VanDerWaalsContact C-N 3.26Å; A161-K163 PolarHBondContact O-N 3.36Å; A161-L164 PolarHBondContact O-N 3.06Å; A161-V165 WeakPolarHBondContact O-CG2 3.41Å; A161-V165 PolarHBondContact O-N 3.1Å; A161-I178 HydrophobicContact CB-CG2 3.69Å; A161-N179 WeakPolarHBondContact CB-OD1 3.44Å; A161-L182 HydrophobicContact CB-CD1 4.03Å
162	K	91.5	Very high	86.3	Confident	111 Å²	111	71.6 Å²	71.6	48%	0.483	36%	0.36	S	S	.	.	H	α-helix	trans	-63.9	-25.4	-179.6	-65.5	163.6	-178.6	166.2	0	113.4	N160 K166 L175 E391	N160-K162 VanDerWaalsContact C-N 3.26Å; N160-K162 PolarHBondContact O-N 3.32Å; N160-K162 VanDerWaalsContact O-N 3.17Å; N160-K162 PolarHBondContact OD1-N 3.07Å; K162-K166 WeakPolarHBondContact O-CG 3.17Å; K162-L175 HydrophobicContact CG-CD1 3.69Å; K162-E391 IonicContact NZ-OE1 2.74Å; K162-E391 PolarHBondContact NZ-OE1 2.84Å; K162-E391 IonicContact NZ-OE2 3.25Å
163	K	91.4	Very high	85.7	Confident	92 Å²	92	71 Å²	71	40%	0.4	36%	0.358	S	S	.	.	H	α-helix	trans	-90	-38.8	171.6	-74.1	-173.8	175.5	-174.1	0	112.3	W157 N160 A161 V165 K166 L167	W157-K163 HydrophobicContact CB-CB 3.78Å; W157-K163 HydrophobicContact CB-CD 3.46Å; W157-K163 VanDerWaalsContact CB-CD 3.46Å; W157-K163 HydrophobicContact CB-CG 4.25Å; W157-K163 HydrophobicContact CG-CB 4.26Å; W157-K163 HydrophobicContact CG-CD 4.37Å; N160-K163 HydrophobicContact CB-CB 4.23Å; N160-K163 PolarHBondContact O-N 3.03Å; N160-K163 PolarHBondContact OD1-N 2.84Å; A161-K163 VanDerWaalsContact C-N 3.26Å; A161-K163 PolarHBondContact O-N 3.36Å; K163-V165 PolarHBondContact O-N 2.87Å; K163-K166 PolarHBondContact O-N 2.68Å; K163-L167 WeakPolarHBondContact O-CB 3.36Å; K163-L167 WeakPolarHBondContact O-CG 3.33Å; K163-L167 PolarHBondContact O-N 2.94Å; K163-L167 VanDerWaalsContact O-N 3.09Å
164	L	92.6	Very high	85.5	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-58.6	-46.2	177.8	-66.7	169.6	0	0	0	111.8	L55 P56 N160 A161 K166 L167 T168 I178	L55-L164 HydrophobicContact CB-CD1 3.95Å; L55-L164 HydrophobicContact CD2-CD1 4.04Å; P56-L164 WeakPolarHBondContact O-CD2 3.45Å; N160-L164 WeakPolarHBondContact O-CG 3.43Å; N160-L164 PolarHBondContact O-N 3.39Å; A161-L164 PolarHBondContact O-N 3.06Å; L164-K166 PolarHBondContact O-N 3.14Å; L164-L167 PolarHBondContact O-N 3.05Å; L164-L167 VanDerWaalsContact O-N 3.1Å; L164-T168 PolarHBondContact O-N 2.93Å; L164-I178 HydrophobicContact CB-CG2 4.05Å; L164-I178 HydrophobicContact CD1-CG2 3.87Å
165	V	90.9	Very high	85.5	Confident	47 Å²	47	73.5 Å²	73.5	29%	0.285	37%	0.37	S	S	.	.	H	α-helix	trans	-60.3	-25.2	174.5	175.1	0	0	0	0	112.9	A161 K163 T168 L175 I178	A161-V165 WeakPolarHBondContact O-CG2 3.41Å; A161-V165 PolarHBondContact O-N 3.1Å; K163-V165 PolarHBondContact O-N 2.87Å; V165-T168 WeakPolarHBondContact O-CG2 3.35Å; V165-L175 HydrophobicContact CG2-CB 4.17Å; V165-I178 HydrophobicContact CG2-CB 4.15Å; V165-I178 HydrophobicContact CG2-CG1 3.69Å
166	K	88.6	Confident	85.6	Confident	176 Å²	176	76.9 Å²	76.9	77%	0.765	39%	0.39	S	S	*	.	H	α-helix	trans	-90.8	-13.9	177.9	-67.9	-176.5	178.5	-171.3	0	114.2	K162 K163 L164	K162-K166 WeakPolarHBondContact O-CG 3.17Å; K163-K166 PolarHBondContact O-N 2.68Å; L164-K166 PolarHBondContact O-N 3.14Å
167	L	87.6	Confident	85.7	Confident	83 Å²	83	75.5 Å²	75.5	44%	0.435	38%	0.376	S	S	.	.	H	α-helix	trans	-118.8	-1.9	-174.1	-64.7	172.5	0	0	0	112.7	G57 W157 K163 L164	G57-L167 WeakPolarHBondContact CA-O 3.29Å; W157-L167 HydrophobicContact CD2-CD1 3.96Å; W157-L167 HydrophobicContact CG-CD1 4.02Å; W157-L167 HydrophobicContact CZ2-CD1 4.12Å; K163-L167 WeakPolarHBondContact O-CB 3.36Å; K163-L167 WeakPolarHBondContact O-CG 3.33Å; K163-L167 PolarHBondContact O-N 2.94Å; K163-L167 VanDerWaalsContact O-N 3.09Å; L164-L167 PolarHBondContact O-N 3.05Å; L164-L167 VanDerWaalsContact O-N 3.1Å
168	T	84.3	Confident	85.8	Confident	21 Å²	21	74 Å²	74	13%	0.129	37%	0.37	C	S	.	.			trans	-73.3	140.2	166.7	179.7	0	0	0	0	110.6	L164 V165 H170	L164-T168 PolarHBondContact O-N 2.93Å; V165-T168 WeakPolarHBondContact O-CG2 3.35Å; T168-H170 PolarHBondContact OG1-CD2 2.93Å; T168-H170 PolarHBondContact OG1-N 3.43Å
169	H	74.8	Confident	85.9	Confident	170 Å²	170	73.6 Å²	73.6	79%	0.787	37%	0.373	S	S	*	.	S	Bend	trans	-89.5	-13.5	170.2	-66.8	-57.2	0	0	0	112.7	T171	H169-T171 PolarHBondContact O-N 3.35Å
170	H	69.6	Low	86	Confident	35 Å²	35	75.1 Å²	75.1	16%	0.162	38%	0.383	C	S	.	.	S	Bend	trans	-74.4	104.1	174.8	-43.2	-75.4	0	0	0	107.6	D82 Y93 T168 N172 I173	D82-H170 IonicContact OD1-CE1 2.7Å; D82-H170 PolarHBondContact OD1-CE1 3.17Å; D82-H170 IonicContact OD1-ND1 3.52Å; D82-H170 IonicContact OD2-CE1 3.17Å; D82-H170 PolarHBondContact OD2-CE1 3.31Å; D82-H170 VanDerWaalsContact OD2-CE1 3.24Å; D82-H170 IonicContact OD2-NE2 3.52Å; Y93-H170 HydrophobicContact CE1-CB 3.78Å; Y93-H170 AromaticContact CE1-CG 3.99Å; Y93-H170 AromaticContact CE1-ND1 3.45Å; Y93-H170 WeakPolarHBondContact CE1-ND1 3.36Å; Y93-H170 AromaticContact CE2-ND1 3.64Å; Y93-H170 AromaticContact CZ-ND1 3.13Å; Y93-H170 PolarHBondContact OH-ND1 2.81Å; Y93-H170 VanDerWaalsContact OH-ND1 3.08Å; T168-H170 PolarHBondContact OG1-CD2 2.93Å; T168-H170 PolarHBondContact OG1-N 3.43Å; H170-N172 VanDerWaalsContact C-N 3.25Å; H170-N172 PolarHBondContact O-N 2.96Å; H170-N172 VanDerWaalsContact O-N 3.09Å; H170-I173 HydrophobicContact CB-CD1 3.61Å; H170-I173 HydrophobicContact CB-CG1 3.87Å
171	T	60.1	Low	86.1	Confident	118 Å²	118	73.8 Å²	73.8	72%	0.724	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.2	-157.9	40.1	0	0	0	0	116.3	H169	H169-T171 PolarHBondContact O-N 3.35Å
172	N	70.1	Confident	86.1	Confident	144 Å²	144	74.4 Å²	74.4	77%	0.77	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	0.1	-169.6	-68	-13.2	0	0	0	115	H170 S174	H170-N172 VanDerWaalsContact C-N 3.25Å; H170-N172 PolarHBondContact O-N 2.96Å; H170-N172 VanDerWaalsContact O-N 3.09Å; N172-S174 PolarHBondContact O-N 3.3Å
173	I	81.6	Confident	86.1	Confident	37 Å²	37	74.9 Å²	74.9	19%	0.19	39%	0.39	C	S	.	.			trans	-71	118.6	-174.7	-48.9	-177.6	0	0	0	110.7	P56 H170 E177 I178	P56-I173 HydrophobicContact CB-CD1 3.76Å; P56-I173 HydrophobicContact CG-CD1 3.71Å; H170-I173 HydrophobicContact CB-CD1 3.61Å; H170-I173 HydrophobicContact CB-CG1 3.87Å; I173-E177 HydrophobicContact CG2-CB 3.88Å; I173-I178 HydrophobicContact CG2-CD1 3.79Å; I173-I178 HydrophobicContact CG2-CG1 3.78Å
174	S	87	Confident	86.2	Confident	37 Å²	37	73.8 Å²	73.8	26%	0.259	39%	0.391	S	S	.	.			trans	-75.2	161.4	-179.2	69.6	0	0	0	0	113.5	N172 T176 E177 I178	N172-S174 PolarHBondContact O-N 3.3Å; S174-T176 WeakPolarHBondContact CB-OG1 3.34Å; S174-T176 PolarHBondContact O-N 3.08Å; S174-T176 PolarHBondContact OG-N 2.95Å; S174-T176 PolarHBondContact OG-OG1 2.79Å; S174-E177 WeakPolarHBondContact CA-OE2 3.36Å; S174-E177 WeakPolarHBondContact CB-OE2 3.38Å; S174-E177 PolarHBondContact N-OE2 2.95Å; S174-E177 PolarHBondContact O-N 3.09Å; S174-E177 WeakPolarHBondContact OG-CG 3.23Å; S174-E177 PolarHBondContact OG-N 2.8Å; S174-E177 VanDerWaalsContact OG-N 3.08Å; S174-E177 PolarHBondContact OG-OE2 3.34Å; S174-I178 PolarHBondContact O-N 3.15Å; S174-I178 VanDerWaalsContact O-N 3.08Å
175	L	90.5	Very high	86.2	Confident	78 Å²	78	74.1 Å²	74.1	41%	0.408	39%	0.392	S	S	.	.	H	α-helix	trans	-66	-23.5	171	-177.1	140.7	0	0	0	112.4	K162 V165 N179	K162-L175 HydrophobicContact CG-CD1 3.69Å; V165-L175 HydrophobicContact CG2-CB 4.17Å; L175-N179 VanDerWaalsContact CD2-ND2 3.32Å; L175-N179 WeakPolarHBondContact CD2-ND2 3.45Å; L175-N179 WeakPolarHBondContact O-CB 3.17Å; L175-N179 PolarHBondContact O-N 3.28Å; L175-N179 PolarHBondContact O-ND2 3.43Å
176	T	91.3	Very high	86.1	Confident	88 Å²	88	75 Å²	75	54%	0.54	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-54.3	170.5	21.6	0	0	0	0	111.3	S174 I178 N179 E180	S174-T176 WeakPolarHBondContact CB-OG1 3.34Å; S174-T176 PolarHBondContact O-N 3.08Å; S174-T176 PolarHBondContact OG-N 2.95Å; S174-T176 PolarHBondContact OG-OG1 2.79Å; T176-I178 PolarHBondContact O-N 3.02Å; T176-N179 PolarHBondContact O-N 2.99Å; T176-E180 PolarHBondContact O-N 3.12Å
177	E	90.3	Very high	85.8	Confident	83 Å²	83	75.5 Å²	75.5	39%	0.388	39%	0.39	S	S	.	.	H	α-helix	trans	-60.5	-42.1	179.4	-70.5	156.2	116.5	0	0	111.9	I173 S174 N179 E180 M181	I173-E177 HydrophobicContact CG2-CB 3.88Å; S174-E177 WeakPolarHBondContact CA-OE2 3.36Å; S174-E177 WeakPolarHBondContact CB-OE2 3.38Å; S174-E177 PolarHBondContact N-OE2 2.95Å; S174-E177 PolarHBondContact O-N 3.09Å; S174-E177 WeakPolarHBondContact OG-CG 3.23Å; S174-E177 PolarHBondContact OG-N 2.8Å; S174-E177 VanDerWaalsContact OG-N 3.08Å; S174-E177 PolarHBondContact OG-OE2 3.34Å; E177-N179 VanDerWaalsContact C-N 3.28Å; E177-N179 PolarHBondContact O-N 3.4Å; E177-E180 PolarHBondContact O-N 3.33Å; E177-M181 WeakPolarHBondContact O-CB 3.49Å; E177-M181 VanDerWaalsContact O-CG 3.27Å; E177-M181 WeakPolarHBondContact O-CG 3.2Å; E177-M181 PolarHBondContact O-N 3.22Å
178	I	92.8	Very high	85.3	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-62.4	-35	175.2	-68.6	-62.9	0	0	0	112	L55 P56 A161 L164 V165 I173 S174 T176 M181 L182	L55-I178 HydrophobicContact CD2-CG2 4.01Å; L55-I178 WeakPolarHBondContact CD2-O 3.41Å; P56-I178 HydrophobicContact CB-CD1 3.98Å; P56-I178 HydrophobicContact CG-CD1 3.91Å; A161-I178 HydrophobicContact CB-CG2 3.69Å; L164-I178 HydrophobicContact CB-CG2 4.05Å; L164-I178 HydrophobicContact CD1-CG2 3.87Å; V165-I178 HydrophobicContact CG2-CB 4.15Å; V165-I178 HydrophobicContact CG2-CG1 3.69Å; I173-I178 HydrophobicContact CG2-CD1 3.79Å; I173-I178 HydrophobicContact CG2-CG1 3.78Å; S174-I178 PolarHBondContact O-N 3.15Å; S174-I178 VanDerWaalsContact O-N 3.08Å; T176-I178 PolarHBondContact O-N 3.02Å; I178-M181 HydrophobicContact CD1-SD 4.22Å; I178-L182 WeakPolarHBondContact O-CG 3.5Å; I178-L182 PolarHBondContact O-N 3.35Å
179	N	93.9	Very high	85.3	Confident	60 Å²	60	77.8 Å²	77.8	32%	0.321	42%	0.417	S	S	.	.	H	α-helix	trans	-73.1	-36.9	175.4	-79.3	-50.4	0	0	0	112.4	A161 L175 T176 E177 L182 T183	A161-N179 WeakPolarHBondContact CB-OD1 3.44Å; L175-N179 VanDerWaalsContact CD2-ND2 3.32Å; L175-N179 WeakPolarHBondContact CD2-ND2 3.45Å; L175-N179 WeakPolarHBondContact O-CB 3.17Å; L175-N179 PolarHBondContact O-N 3.28Å; L175-N179 PolarHBondContact O-ND2 3.43Å; T176-N179 PolarHBondContact O-N 2.99Å; E177-N179 VanDerWaalsContact C-N 3.28Å; E177-N179 PolarHBondContact O-N 3.4Å; N179-L182 WeakPolarHBondContact O-CB 3.4Å; N179-L182 PolarHBondContact O-N 3.1Å; N179-L182 VanDerWaalsContact O-N 3.15Å; N179-T183 PolarHBondContact O-N 2.88Å; N179-T183 PolarHBondContact O-OG1 3.28Å
180	E	93.4	Very high	85.6	Confident	116 Å²	116	72.9 Å²	72.9	54%	0.542	40%	0.396	S	S	.	.	H	α-helix	trans	-62	-46.3	172.8	-71.9	163.4	-162.4	0	0	110.3	T176 E177 L182 T183 T184	T176-E180 PolarHBondContact O-N 3.12Å; E177-E180 PolarHBondContact O-N 3.33Å; E180-L182 VanDerWaalsContact C-N 3.29Å; E180-L182 PolarHBondContact O-N 3.44Å; E180-T183 WeakPolarHBondContact CA-OG1 3.49Å; E180-T183 PolarHBondContact O-N 3.48Å; E180-T183 PolarHBondContact O-OG1 3.47Å; E180-T184 PolarHBondContact O-N 3.17Å; E180-T184 PolarHBondContact O-OG1 3.49Å; E180-T184 VanDerWaalsContact O-OG1 3.11Å
181	M	93.5	Very high	86.5	Confident	44 Å²	44	72.5 Å²	72.5	22%	0.217	40%	0.395	C	S	.	.	H	α-helix	trans	-59	-36	171.1	-66.4	179.1	102.7	0	0	112.8	L55 P56 C127 L129 E177 I178 T184 F185	L55-M181 HydrophobicContact CD2-CB 3.66Å; L55-M181 HydrophobicContact CG-CB 4.09Å; P56-M181 HydrophobicContact CG-CE 3.91Å; P56-M181 HydrophobicContact CG-SD 3.86Å; C127-M181 HydrophobicContact CB-CE 4.03Å; L129-M181 HydrophobicContact CD1-CB 3.98Å; L129-M181 HydrophobicContact CD1-CE 4.02Å; L129-M181 HydrophobicContact CD1-CG 3.94Å; L129-M181 HydrophobicContact CD2-CB 4.37Å; L129-M181 HydrophobicContact CD2-CE 4.39Å; E177-M181 WeakPolarHBondContact O-CB 3.49Å; E177-M181 VanDerWaalsContact O-CG 3.27Å; E177-M181 WeakPolarHBondContact O-CG 3.2Å; E177-M181 PolarHBondContact O-N 3.22Å; I178-M181 HydrophobicContact CD1-SD 4.22Å; M181-T184 PolarHBondContact O-N 2.85Å; M181-F185 WeakPolarHBondContact O-CB 3.49Å; M181-F185 PolarHBondContact O-N 2.88Å
182	L	92.8	Very high	87.7	Confident	23 Å²	23	72 Å²	72	12%	0.12	39%	0.385	C	S	.	.	H	α-helix	trans	-68.2	-32.8	174.7	-78.5	174.8	0	0	0	112.4	L55 Y159 A161 I178 N179 E180	L55-L182 HydrophobicContact CD1-CD2 3.82Å; L55-L182 HydrophobicContact CD2-CB 4.37Å; L55-L182 HydrophobicContact CD2-CD2 3.63Å; L55-L182 HydrophobicContact CD2-CG 3.55Å; L55-L182 HydrophobicContact CG-CD2 4.38Å; Y159-L182 HydrophobicContact CD1-CD2 4.11Å; A161-L182 HydrophobicContact CB-CD1 4.03Å; I178-L182 WeakPolarHBondContact O-CG 3.5Å; I178-L182 PolarHBondContact O-N 3.35Å; N179-L182 WeakPolarHBondContact O-CB 3.4Å; N179-L182 PolarHBondContact O-N 3.1Å; N179-L182 VanDerWaalsContact O-N 3.15Å; E180-L182 VanDerWaalsContact C-N 3.29Å; E180-L182 PolarHBondContact O-N 3.44Å
183	T	91.9	Very high	88.4	Confident	121 Å²	121	68.5 Å²	68.5	74%	0.742	37%	0.368	S	S	*	.	H	α-helix	trans	-75.4	-32.2	174.3	50	0	0	0	0	112.8	N179 E180 F185	N179-T183 PolarHBondContact O-N 2.88Å; N179-T183 PolarHBondContact O-OG1 3.28Å; E180-T183 WeakPolarHBondContact CA-OG1 3.49Å; E180-T183 PolarHBondContact O-N 3.48Å; E180-T183 PolarHBondContact O-OG1 3.47Å; T183-F185 VanDerWaalsContact C-N 3.33Å
184	T	91.7	Very high	88.6	Confident	68 Å²	68	67 Å²	67	42%	0.417	36%	0.36	S	S	.	.	H	α-helix	trans	-77.7	-15.4	174.4	-51.2	0	0	0	0	113.1	L129 T130 E180 M181 E186	L129-T184 HydrophobicContact CB-CG2 4.13Å; L129-T184 HydrophobicContact CD1-CG2 4.24Å; T130-T184 HydrophobicContact CG2-CG2 3.81Å; E180-T184 PolarHBondContact O-N 3.17Å; E180-T184 PolarHBondContact O-OG1 3.49Å; E180-T184 VanDerWaalsContact O-OG1 3.11Å; M181-T184 PolarHBondContact O-N 2.85Å; T184-E186 PolarHBondContact O-N 2.91Å
185	F	92.8	Very high	88.7	Confident	7 Å²	7	66.9 Å²	66.9	3%	0.031	36%	0.357	C	S	.	.	S	Bend	trans	-73.9	96.2	-175.6	-169.2	-96	0	0	0	112.6	R53 L55 L129 E152 Y159 M181 T183 R187	R53-F185 HydrophobicContact CG-CE2 3.71Å; R53-F185 HydrophobicContact CG-CZ 3.93Å; R53-F185 VanDerWaalsContact CZ-CE2 3.47Å; R53-F185 VanDerWaalsContact NH1-CE1 3.29Å; L55-F185 HydrophobicContact CD1-CB 4.28Å; L55-F185 HydrophobicContact CD1-CD2 3.71Å; L55-F185 HydrophobicContact CD1-CE2 4.19Å; L55-F185 HydrophobicContact CD1-CG 4.03Å; L129-F185 HydrophobicContact CD2-CD2 3.85Å; E152-F185 WeakPolarHBondContact OE1-CZ 3.37Å; Y159-F185 AromaticContact CE1-CD1 3.97Å; Y159-F185 HydrophobicContact CE1-CD1 3.97Å; Y159-F185 AromaticContact CE1-CE1 3.5Å; Y159-F185 HydrophobicContact CE1-CE1 3.5Å; Y159-F185 HydrophobicContact CE1-CZ 4.06Å; Y159-F185 AromaticContact CZ-CE1 3.93Å; Y159-F185 WeakPolarHBondContact OH-CE1 3.18Å; M181-F185 WeakPolarHBondContact O-CB 3.49Å; M181-F185 PolarHBondContact O-N 2.88Å; T183-F185 VanDerWaalsContact C-N 3.33Å; F185-R187 PolarHBondContact O-N 2.91Å; F185-R187 VanDerWaalsContact O-N 3.1Å
186	E	90.1	Very high	88.2	Confident	66 Å²	66	66.5 Å²	66.5	31%	0.308	36%	0.361	S	S	.	.			trans	-54.4	112.2	178.8	-70.1	173.4	-168.8	0	0	111.6	R53 L129 T130 R131 T184 L189	R53-E186 VanDerWaalsContact CZ-O 3.22Å; R53-E186 PolarHBondContact NH1-O 3.45Å; R53-E186 PolarHBondContact NH2-O 2.89Å; L129-E186 PolarHBondContact O-N 3.12Å; L129-E186 VanDerWaalsContact O-N 3.1Å; T130-E186 WeakPolarHBondContact CA-OE1 3.31Å; T130-E186 VanDerWaalsContact CB-OE1 3.22Å; T130-E186 WeakPolarHBondContact CB-OE1 3.18Å; T130-E186 HydrophobicContact CG2-CG 4.46Å; R131-E186 VanDerWaalsContact CB-OE2 3.31Å; R131-E186 WeakPolarHBondContact CB-OE2 3.47Å; R131-E186 VanDerWaalsContact N-CD 3.34Å; R131-E186 PolarHBondContact N-OE1 3.06Å; R131-E186 PolarHBondContact N-OE2 3.36Å; T184-E186 PolarHBondContact O-N 2.91Å; E186-L189 HydrophobicContact CB-CD1 4.1Å; E186-L189 HydrophobicContact CB-CD2 4.29Å; E186-L189 HydrophobicContact CB-CG 4.11Å; E186-L189 WeakPolarHBondContact OE2-CD2 3.21Å
187	R	82.4	Confident	87.6	Confident	186 Å²	186	66.8 Å²	66.8	70%	0.702	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	151.9	179	-62.6	-176.9	-175.9	172.9	2.8	110.4	F185	F185-R187 PolarHBondContact O-N 2.91Å; F185-R187 VanDerWaalsContact O-N 3.1Å
188	A	76.1	Confident	86.9	Confident	105 Å²	105	64.2 Å²	64.2	87%	0.868	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	38.8	176.1	0	0	0	0	0	116.8
189	L	84.1	Confident	85.4	Confident	48 Å²	48	67.8 Å²	67.8	25%	0.251	37%	0.369	S	S	.	.			trans	-73.5	122.5	166.9	-66.1	-177.7	0	0	0	111.8	R131 M134 L150 E186 I194	R131-L189 HydrophobicContact CB-CD1 4.38Å; R131-L189 HydrophobicContact CB-CD2 4.4Å; M134-L189 HydrophobicContact CE-CD1 3.54Å; L150-L189 HydrophobicContact CD2-CB 4.34Å; E186-L189 HydrophobicContact CB-CD1 4.1Å; E186-L189 HydrophobicContact CB-CD2 4.29Å; E186-L189 HydrophobicContact CB-CG 4.11Å; E186-L189 WeakPolarHBondContact OE2-CD2 3.21Å; L189-I194 HydrophobicContact CB-CD1 4.44Å
190	N	82.2	Confident	82.6	Confident	67 Å²	67	71 Å²	71	36%	0.358	39%	0.385	S	S	.	.			trans	-104.4	128.4	165.4	-178.8	-3	0	0	0	110.2	E192 T193 I194	N190-E192 VanDerWaalsContact C-N 3.26Å; N190-E192 PolarHBondContact ND2-OE2 2.88Å; N190-E192 PolarHBondContact O-N 3.33Å; N190-E192 PolarHBondContact OD1-N 3.35Å; N190-T193 PolarHBondContact O-N 3.29Å; N190-I194 WeakPolarHBondContact O-CG1 3.43Å; N190-I194 PolarHBondContact O-N 3.37Å; N190-I194 VanDerWaalsContact O-N 3.13Å
191	I	87.9	Confident	79.7	Confident	27 Å²	27	71.2 Å²	71.2	14%	0.138	40%	0.397	C	S	.	.	H	α-helix	trans	-59	-33.7	176	-171.6	57	0	0	0	112.9	I138 V148 L150 I194 L195	I138-I191 HydrophobicContact CD1-CD1 3.98Å; I138-I191 HydrophobicContact CG1-CD1 4.5Å; V148-I191 HydrophobicContact CG1-CD1 3.96Å; L150-I191 HydrophobicContact CB-CB 4.04Å; L150-I191 HydrophobicContact CB-CD1 4.44Å; L150-I191 HydrophobicContact CB-CG1 4.4Å; I191-I194 PolarHBondContact O-N 2.95Å; I191-L195 HydrophobicContact CD1-CD1 4.4Å; I191-L195 HydrophobicContact CD1-CG 4.18Å; I191-L195 HydrophobicContact CG1-CD1 3.92Å; I191-L195 HydrophobicContact CG1-CG 4.19Å; I191-L195 WeakPolarHBondContact O-CB 3.31Å; I191-L195 VanDerWaalsContact O-CG 3.25Å; I191-L195 WeakPolarHBondContact O-CG 3.25Å; I191-L195 PolarHBondContact O-N 2.76Å
192	E	86.4	Confident	76.8	Confident	108 Å²	108	74.4 Å²	74.4	51%	0.505	42%	0.423	S	S	.	.	H	α-helix	trans	-67.8	-38.2	178.6	-60.3	167	148.2	0	0	111.4	N190 I194 S196	N190-E192 VanDerWaalsContact C-N 3.26Å; N190-E192 PolarHBondContact ND2-OE2 2.88Å; N190-E192 PolarHBondContact O-N 3.33Å; N190-E192 PolarHBondContact OD1-N 3.35Å; E192-I194 VanDerWaalsContact C-N 3.35Å; E192-S196 VanDerWaalsContact O-CB 3.29Å; E192-S196 WeakPolarHBondContact O-CB 3.27Å; E192-S196 PolarHBondContact O-N 3.02Å; E192-S196 PolarHBondContact O-OG 3.44Å
193	T	83.1	Confident	73.8	Confident	70 Å²	70	78.7 Å²	78.7	43%	0.429	46%	0.455	S	S	.	.	H	α-helix	trans	-67.9	-35.2	173.4	-47.8	0	0	0	0	111.5	N190 S196 Q197	N190-T193 PolarHBondContact O-N 3.29Å; T193-S196 WeakPolarHBondContact CA-OG 3.32Å; T193-S196 PolarHBondContact O-OG 2.98Å; T193-Q197 VanDerWaalsContact O-CG 3.27Å; T193-Q197 WeakPolarHBondContact O-CG 3.37Å; T193-Q197 PolarHBondContact O-N 3.25Å
194	I	87.3	Confident	71	Confident	4 Å²	4	78.1 Å²	78.1	2%	0.021	46%	0.456	C	S	.	.	H	α-helix	trans	-70.8	-46.1	175.4	-62.5	165.3	0	0	0	110.8	R131 I138 L189 N190 I191 E192 Q197 I198	R131-I194 HydrophobicContact CG-CD1 4.2Å; R131-I194 HydrophobicContact CG-CG1 4.28Å; R131-I194 HydrophobicContact CG-CG2 4.48Å; I138-I194 HydrophobicContact CD1-CG2 3.63Å; L189-I194 HydrophobicContact CB-CD1 4.44Å; N190-I194 WeakPolarHBondContact O-CG1 3.43Å; N190-I194 PolarHBondContact O-N 3.37Å; N190-I194 VanDerWaalsContact O-N 3.13Å; I191-I194 PolarHBondContact O-N 2.95Å; E192-I194 VanDerWaalsContact C-N 3.35Å; I194-Q197 PolarHBondContact O-N 2.87Å; I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 WeakPolarHBondContact O-CG1 3.29Å; I194-I198 PolarHBondContact O-N 3.47Å; I194-I198 VanDerWaalsContact O-N 3.14Å
195	L	88.2	Confident	68	Low	35 Å²	35	80 Å²	80	18%	0.183	47%	0.472	C	S	.	.	H	α-helix	trans	-65	-45.3	179.6	-73.3	172.2	0	0	0	112.2	I138 V142 I191 Q197 I198 C199	I138-L195 HydrophobicContact CG2-CD2 3.66Å; V142-L195 HydrophobicContact CG2-CD2 3.4Å; I191-L195 HydrophobicContact CD1-CD1 4.4Å; I191-L195 HydrophobicContact CD1-CG 4.18Å; I191-L195 HydrophobicContact CG1-CD1 3.92Å; I191-L195 HydrophobicContact CG1-CG 4.19Å; I191-L195 WeakPolarHBondContact O-CB 3.31Å; I191-L195 VanDerWaalsContact O-CG 3.25Å; I191-L195 WeakPolarHBondContact O-CG 3.25Å; I191-L195 PolarHBondContact O-N 2.76Å; L195-Q197 VanDerWaalsContact C-N 3.27Å; L195-Q197 PolarHBondContact O-N 3.07Å; L195-I198 PolarHBondContact O-N 3.01Å; L195-I198 VanDerWaalsContact O-N 3.08Å; L195-C199 WeakPolarHBondContact O-CB 3.43Å; L195-C199 PolarHBondContact O-N 3.07Å; L195-C199 PolarHBondContact O-SG 3.11Å; L195-C199 VanDerWaalsContact O-SG 3.4Å
196	S	81.2	Confident	65	Low	70 Å²	70	86 Å²	86	49%	0.49	51%	0.512	S	S	.	.	H	α-helix	trans	-61.4	-34.3	178.3	50.4	0	0	0	0	113	E192 T193	E192-S196 VanDerWaalsContact O-CB 3.29Å; E192-S196 WeakPolarHBondContact O-CB 3.27Å; E192-S196 PolarHBondContact O-N 3.02Å; E192-S196 PolarHBondContact O-OG 3.44Å; T193-S196 WeakPolarHBondContact CA-OG 3.32Å; T193-S196 PolarHBondContact O-OG 2.98Å
197	Q	77.9	Confident	62	Low	94 Å²	94	87.9 Å²	87.9	44%	0.439	53%	0.532	S	S	.	.	H	α-helix	trans	-74.6	-27.8	173.6	-69.5	177.7	15.6	0	0	113.7	R131 T193 I194 L195	R131-Q197 VanDerWaalsContact CZ-OE1 3.24Å; T193-Q197 VanDerWaalsContact O-CG 3.27Å; T193-Q197 WeakPolarHBondContact O-CG 3.37Å; T193-Q197 PolarHBondContact O-N 3.25Å; I194-Q197 PolarHBondContact O-N 2.87Å; L195-Q197 VanDerWaalsContact C-N 3.27Å; L195-Q197 PolarHBondContact O-N 3.07Å
198	I	74.7	Confident	59.7	Low	29 Å²	29	86.7 Å²	86.7	15%	0.149	54%	0.539	C	S	.	.	H	α-helix	trans	-76.5	-34	174	-71.2	167.6	0	0	0	111	I138 R139 I194 L195 L200	I138-I198 HydrophobicContact CB-CD1 4.13Å; I138-I198 HydrophobicContact CG2-CD1 3.55Å; R139-I198 HydrophobicContact CG-CD1 4.13Å; R139-I198 HydrophobicContact CG-CG1 4.43Å; R139-I198 HydrophobicContact CG-CG2 4.1Å; I194-I198 HydrophobicContact CG2-CD1 3.88Å; I194-I198 WeakPolarHBondContact O-CG1 3.29Å; I194-I198 PolarHBondContact O-N 3.47Å; I194-I198 VanDerWaalsContact O-N 3.14Å; L195-I198 PolarHBondContact O-N 3.01Å; L195-I198 VanDerWaalsContact O-N 3.08Å; I198-L200 VanDerWaalsContact C-N 3.33Å; I198-L200 PolarHBondContact O-N 3.16Å
199	C	61.4	Low	57.6	Low	76 Å²	76	84.8 Å²	84.8	51%	0.514	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	17.1	-177.9	-65	0	0	0	0	114.5	L195	L195-C199 WeakPolarHBondContact O-CB 3.43Å; L195-C199 PolarHBondContact O-N 3.07Å; L195-C199 PolarHBondContact O-SG 3.11Å; L195-C199 VanDerWaalsContact O-SG 3.4Å
200	L	35.2	Very low	55.1	Low	127 Å²	127	88 Å²	88	67%	0.665	55%	0.546	S	S	*	.			trans	-64.9	127.8	173.7	-74.9	172.8	0	0	0	110.4	I198 S202	I198-L200 VanDerWaalsContact C-N 3.33Å; I198-L200 PolarHBondContact O-N 3.16Å; L200-S202 PolarHBondContact O-N 3.08Å
201	P	33.9	Very low	52.8	Low	121 Å²	121	87.2 Å²	87.2	79%	0.786	55%	0.546	S	S	*	.			trans	-75	102.2	-173.3	29.2	-34.6	0	0	0	111.6	S203	P201-S203 PolarHBondContact O-N 3.12Å
202	S	31.5	Very low	50.4	Low	111 Å²	111	89.1 Å²	89.1	78%	0.776	55%	0.554	S	S	*	*			trans	-54.4	132.7	155.4	54.1	0	0	0	0	109.2	L200	L200-S202 PolarHBondContact O-N 3.08Å
203	S	29.8	Very low	47.7	Very low	112 Å²	112	88 Å²	88	78%	0.783	55%	0.552	S	S	*	*	S	Bend	trans	-59.9	148	-167.6	50.2	0	0	0	0	115.1	P201	P201-S203 PolarHBondContact O-N 3.12Å
204	S	32.5	Very low	45.3	Very low	109 Å²	109	88.5 Å²	88.5	76%	0.762	55%	0.551	S	S	*	*	S	Bend	trans	84.9	144.8	176.1	79.7	0	0	0	0	117.6
205	S	29.5	Very low	42.6	Very low	107 Å²	107	89.3 Å²	89.3	75%	0.748	56%	0.557	S	S	*	*			trans	61.7	99.3	-177.9	63.7	0	0	0	0	117.9
206	P	29.2	Very low	39.9	Very low	135 Å²	135	91.8 Å²	91.8	88%	0.877	57%	0.571	S	S	*	*			trans	-99.7	88.4	179.4	36.6	-31.3	0	0	0	113.4
207	S	27.9	Very low	37.3	Very low	105 Å²	105	92.3 Å²	92.3	73%	0.734	57%	0.571	S	S	*	*			trans	-163.4	102.2	166	57.8	0	0	0	0	113.6
208	L	33.1	Very low	35.1	Very low	161 Å²	161	92.9 Å²	92.9	84%	0.843	58%	0.577	S	S	*	*			trans	-169.5	96.6	149.1	-106.6	159	0	0	0	111.9
209	S	33.1	Very low	33	Very low	65 Å²	65	96.2 Å²	96.2	46%	0.455	60%	0.603	S	S	.	*			trans	36.7	113.2	149.5	56.5	0	0	0	0	120.5	S211	S209-S211 WeakPolarHBondContact CB-OG 3.34Å; S209-S211 PolarHBondContact O-N 2.91Å; S209-S211 PolarHBondContact OG-OG 3.3Å
210	S	31.2	Very low	31.5	Very low	116 Å²	116	97.2 Å²	97.2	81%	0.811	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	37.6	165.7	-43.6	0	0	0	0	114.7
211	S	34.1	Very low	31.2	Very low	50 Å²	50	97.2 Å²	97.2	35%	0.35	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.7	-12.1	-171.3	53.1	0	0	0	0	115	S209 L213 L214	S209-S211 WeakPolarHBondContact CB-OG 3.34Å; S209-S211 PolarHBondContact O-N 2.91Å; S209-S211 PolarHBondContact OG-OG 3.3Å; S211-L213 PolarHBondContact O-N 3.38Å; S211-L214 PolarHBondContact O-N 2.93Å
212	M	36.5	Very low	31.1	Very low	66 Å²	66	98.8 Å²	98.8	33%	0.325	61%	0.608	S	S	.	*	S	Bend	trans	-66.7	-5.9	-178.7	-64.8	-176	-178.5	0	0	114.2	V142 N145	V142-M212 HydrophobicContact CG1-CE 4.34Å; V142-M212 HydrophobicContact CG1-SD 3.77Å; V142-M212 WeakPolarHBondContact O-CE 3.32Å; N145-M212 VanDerWaalsContact OD1-CE 3.31Å; N145-M212 WeakPolarHBondContact OD1-CE 3.47Å; N145-M212 WeakPolarHBondContact OD1-CG 3.14Å
213	L	31.1	Very low	30.9	Very low	86 Å²	86	99.9 Å²	99.9	45%	0.45	61%	0.605	S	S	.	*	S	Bend	trans	-121.9	76.4	169.2	-71.1	179.7	0	0	0	108	S211 R968	S211-L213 PolarHBondContact O-N 3.38Å; L213-R968 VanDerWaalsContact C-NE 3.33Å; L213-R968 VanDerWaalsContact C-NH2 3.31Å; L213-R968 HydrophobicContact CB-CG 4.11Å; L213-R968 WeakPolarHBondContact O-CD 3.33Å; L213-R968 VanDerWaalsContact O-CG 3.25Å; L213-R968 WeakPolarHBondContact O-CG 3.41Å; L213-R968 PolarHBondContact O-NE 2.74Å
214	L	32.9	Very low	30.9	Very low	79 Å²	79	99.3 Å²	99.3	41%	0.414	60%	0.601	S	S	.	*			trans	-80.3	127.3	177.7	-156.5	78.8	0	0	0	110.8	G45 A46 S211 V217 R968	G45-L214 WeakPolarHBondContact O-CD2 3.42Å; A46-L214 HydrophobicContact CB-CB 4.46Å; A46-L214 HydrophobicContact CB-CD2 4.34Å; S211-L214 PolarHBondContact O-N 2.93Å; L214-V217 HydrophobicContact CD2-CG2 4.32Å; L214-R968 VanDerWaalsContact C-NH2 3.29Å; L214-R968 PolarHBondContact O-NH2 2.79Å
215	S	30.8	Very low	30.7	Very low	22 Å²	22	100.2 Å²	100.2	15%	0.154	60%	0.602	C	S	.	*			trans	-122.5	130.8	169	52.4	0	0	0	0	109.3	R968	S215-R968 WeakPolarHBondContact OG-CB 3.45Å
216	N	30	Very low	30.9	Very low	86 Å²	86	100 Å²	100	46%	0.46	60%	0.601	S	S	.	*			trans	62.8	106.4	165.8	-63.9	35.1	0	0	0	115.8	I931	N216-I931 HydrophobicContact CB-CD1 3.8Å; N216-I931 HydrophobicContact CB-CG2 4.25Å
217	V	27.8	Very low	30.9	Very low	81 Å²	81	100.3 Å²	100.3	49%	0.491	60%	0.595	S	S	.	*			trans	-97.1	115.6	160	175	0	0	0	0	108.2	L214	L214-V217 HydrophobicContact CD2-CG2 4.32Å
218	N	30.6	Very low	31	Very low	107 Å²	107	102 Å²	102	57%	0.572	59%	0.594	S	S	*	*			trans	-167.4	111	147.8	-91.1	-41.8	0	0	0	110.8	I931	N218-I931 HydrophobicContact CB-CB 4.44Å; N218-I931 HydrophobicContact CB-CD1 3.61Å; N218-I931 HydrophobicContact CB-CG1 3.76Å
219	S	31.9	Very low	30.7	Very low	98 Å²	98	98.7 Å²	98.7	69%	0.685	59%	0.585	S	S	*	*				-164.8	124.3	127.7	-82.9	0	0	0	0	108
220	S	28.5	Very low	30.3	Very low	98 Å²	98	104.3 Å²	104.3	69%	0.685	60%	0.601	S	S	*	*			trans	-91.5	176.7	-179.6	55.3	0	0	0	0	112.1
221	N	29.2	Very low	30.3	Very low	126 Å²	126	105 Å²	105	67%	0.674	60%	0.596	S	S	*	*			trans	88.8	117.8	153	-63.8	-6.5	0	0	0	119.8
222	H	31.5	Very low	30	Very low	154 Å²	154	106.8 Å²	106.8	71%	0.713	61%	0.614	S	S	*	*			trans	59.6	124.3	130.9	-65.3	-61.6	0	0	0	118.6
223	N	28.3	Very low	29.7	Very low	135 Å²	135	111.1 Å²	111.1	72%	0.722	64%	0.637	S	S	*	*			cis	-166.2	178.9	30.2	-102.6	-22.6	0	0	0	113.9
224	S	29.7	Very low	29.6	Very low	100 Å²	100	112.8 Å²	112.8	70%	0.699	66%	0.656	S	S	*	*			trans	69.8	98.7	151.7	40.7	0	0	0	0	121.6
225	T	27.4	Very low	29.5	Very low	127 Å²	127	112.1 Å²	112.1	78%	0.779	67%	0.667	S	S	*	*				61.2	134.8	125.6	55	0	0	0	0	123.1
226	S	33.8	Very low	29.5	Very low	104 Å²	104	117.2 Å²	117.2	73%	0.727	70%	0.698	S	S	*	*			trans	65.3	144.2	152.4	59.2	0	0	0	0	119.1
227	D	29	Very low	29.6	Very low	141 Å²	141	119.7 Å²	119.7	75%	0.754	71%	0.711	S	S	*	*			cis	-166.7	171	-27	-122.4	-49.6	0	0	0	110.6
228	I	30.3	Very low	29.8	Very low	139 Å²	139	121.8 Å²	121.8	71%	0.713	72%	0.72	S	S	*	*			trans	55.3	80.2	150.6	-59.5	162.4	0	0	0	118.2
229	S	27.5	Very low	29.8	Very low	92 Å²	92	124 Å²	124	64%	0.643	73%	0.73	S	S	*	*				54.3	136.1	119.5	75.8	0	0	0	0	126.1
230	F	25.5	Very low	29.8	Very low	183 Å²	183	125.1 Å²	125.1	80%	0.803	74%	0.737	S	S	*	*			trans	84.9	129.6	133.1	-85.1	-51.1	0	0	0	124.7
231	N	30.1	Very low	29.7	Very low	131 Å²	131	127.2 Å²	127.2	70%	0.701	75%	0.746	S	S	*	*			trans	69	98	141.1	-65.8	-22.8	0	0	0	123
232	A	28	Very low	29.8	Very low	88 Å²	88	126.9 Å²	126.9	73%	0.727	75%	0.754	S	S	*	*				55.6	164.5	103.4	0	0	0	0	0	122.7
233	I	30.5	Very low	29.6	Very low	157 Å²	157	126.7 Å²	126.7	81%	0.805	76%	0.758	S	S	*	*			trans	78.6	107.9	-178.8	-50.5	170.3	0	0	0	111.5
234	S	28.2	Very low	29.6	Very low	121 Å²	121	127.5 Å²	127.5	85%	0.846	76%	0.762	S	S	*	*			cis	86.4	119.8	48.2	-59.9	0	0	0	0	114.3
235	G	31.6	Very low	29.5	Very low	64 Å²	64	127.5 Å²	127.5	66%	0.66	76%	0.762	S	S	*	*			trans	136.9	86.9	178.9	0	0	0	0	0	111.6
236	T	31.4	Very low	29.5	Very low	129 Å²	129	127.4 Å²	127.4	79%	0.791	76%	0.757	S	S	*	*				77.5	114.9	80.5	59.8	0	0	0	0	116
237	N	31.1	Very low	29.3	Very low	138 Å²	138	130.1 Å²	130.1	74%	0.738	76%	0.758	S	S	*	*			trans	97.9	144.6	139.3	-67.9	20.1	0	0	0	122.6
238	D	32.7	Very low	29.3	Very low	126 Å²	126	130.1 Å²	130.1	67%	0.674	76%	0.757	S	S	*	*			trans	76.6	89.4	149.8	-54.8	-21.5	0	0	0	122.9
239	I	29.2	Very low	29.2	Very low	154 Å²	154	129.4 Å²	129.4	79%	0.79	76%	0.755	S	S	*	*				46.8	112.1	115.2	-55.8	159.1	0	0	0	117.9
240	S	32.2	Very low	29.2	Very low	120 Å²	120	132.3 Å²	132.3	84%	0.839	76%	0.758	S	S	*	*				-170.3	160.2	123.5	36.4	0	0	0	0	112.2
241	T	26.5	Very low	29.4	Very low	143 Å²	143	129.9 Å²	129.9	88%	0.877	75%	0.75	S	S	*	*			trans	-106.5	132	-174.2	51	0	0	0	0	112.6
242	S	30.7	Very low	29.2	Very low	118 Å²	118	129 Å²	129	83%	0.825	75%	0.749	S	S	*	*			trans	-153.9	133.7	159.9	57.8	0	0	0	0	111.5
243	N	27.1	Very low	29.2	Very low	150 Å²	150	129.6 Å²	129.6	80%	0.802	75%	0.746	S	S	*	*			trans	-72.1	141.4	173.3	-55.1	-38.8	0	0	0	110.5
244	N	29.2	Very low	29	Very low	152 Å²	152	129.7 Å²	129.7	81%	0.813	74%	0.743	S	S	*	*				-179.4	159	110.1	-88.7	-18.6	0	0	0	113
245	S	26.8	Very low	29	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	74%	0.744	S	S	*	*			trans	-32.5	134.3	171.1	52.8	0	0	0	0	117.4
246	N	28.4	Very low	28.7	Very low	126 Å²	126	136.8 Å²	136.8	67%	0.674	75%	0.745	S	S	*	*				-178.1	155.4	107.6	-97.5	8.6	0	0	0	114.9
247	E	28.6	Very low	28.5	Very low	161 Å²	161	137 Å²	137	75%	0.752	75%	0.747	S	S	*	*			trans	74.8	141.4	138.2	-79.3	165.2	158.8	0	0	124.7
248	L	30.1	Very low	28.4	Very low	140 Å²	140	137.6 Å²	137.6	73%	0.733	75%	0.75	S	S	*	*			trans	72.8	117.2	160.2	-61.2	161.8	0	0	0	116.8
249	N	27.2	Very low	28.2	Very low	125 Å²	125	139 Å²	139	67%	0.668	76%	0.758	S	S	*	*				68.2	134.8	70.9	-67.3	34.6	0	0	0	111.2
250	E	28	Very low	28.6	Very low	152 Å²	152	139.6 Å²	139.6	71%	0.71	76%	0.762	S	S	*	*			cis	-161.2	172.6	12.9	-122.2	161.2	-111.9	0	0	108.7
251	H	30.3	Very low	28.5	Very low	133 Å²	133	140.5 Å²	140.5	62%	0.616	76%	0.758	S	S	*	*			cis	-149.4	161.2	0.6	-159	-64.6	0	0	0	107.8
252	V	25.3	Very low	28.8	Very low	112 Å²	112	140.1 Å²	140.1	68%	0.679	75%	0.75	S	S	*	*			trans	-129.7	142.5	164.4	177.3	0	0	0	0	108.9
253	C	28.9	Very low	28.7	Very low	101 Å²	101	141 Å²	141	68%	0.682	75%	0.746	S	S	*	*			trans	-121.1	94.9	177.8	-63.4	0	0	0	0	110.6
254	H	26.1	Very low	28.8	Very low	158 Å²	158	141 Å²	141	73%	0.731	75%	0.745	S	S	*	*			trans	-89.6	133.6	162.7	-75.5	-88.2	0	0	0	109.3
255	Y	27.3	Very low	28.6	Very low	222 Å²	222	138.1 Å²	138.1	87%	0.871	74%	0.737	S	S	*	*			trans	-97.9	96	162.7	-79.3	-74.6	0	0	0	109.4
256	T	26.8	Very low	28.7	Very low	112 Å²	112	139 Å²	139	69%	0.687	74%	0.743	S	S	*	*			trans	-117.3	104.4	166.8	49.1	0	0	0	0	108.3	N258	T256-N258 PolarHBondContact O-N 2.96Å
257	T	26.3	Very low	28.6	Very low	134 Å²	134	137.7 Å²	137.7	82%	0.822	74%	0.744	S	S	*	*			trans	-85.3	104.9	169.6	49.5	0	0	0	0	108.8
258	N	29.6	Very low	28.5	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	74%	0.741	S	S	*	*			trans	-103.5	150.7	161.5	-78.5	9.7	0	0	0	108.9	T256	T256-N258 PolarHBondContact O-N 2.96Å
259	D	28.2	Very low	28.4	Very low	156 Å²	156	135 Å²	135	83%	0.834	74%	0.743	S	S	*	*			trans	-69.4	153.2	175.7	-43.4	-92.7	0	0	0	112
260	D	36.2	Very low	28.2	Very low	167 Å²	167	133.9 Å²	133.9	89%	0.893	75%	0.745	S	S	*	*			trans	-155.2	148.8	151.7	-118.2	-34.9	0	0	0	110.1
261	D	31.8	Very low	28.3	Very low	139 Å²	139	133.9 Å²	133.9	74%	0.743	76%	0.755	S	S	*	*			trans	-89.6	171.2	-155.5	-88.5	-55.7	0	0	0	116.9
262	N	31.3	Very low	28	Very low	135 Å²	135	132.9 Å²	132.9	72%	0.722	76%	0.763	S	S	*	*			trans	86.6	103.4	155.3	-44.7	-81.8	0	0	0	118.7
263	N	30.2	Very low	27.9	Very low	136 Å²	136	134.1 Å²	134.1	73%	0.727	78%	0.775	S	S	*	*				176.5	149.3	83.2	-98.9	-60.1	0	0	0	114.4
264	L	27.8	Very low	27.6	Very low	151 Å²	151	140.8 Å²	140.8	79%	0.791	79%	0.786	S	S	*	*			trans	46.9	138	158.6	-82.3	74	0	0	0	119.7
265	S	25	Very low	27.6	Very low	90 Å²	90	138.7 Å²	138.7	63%	0.629	79%	0.789	S	S	*	*			cis	169	144.8	-22.7	44.2	0	0	0	0	106.7
266	S	28.6	Very low	27.5	Very low	118 Å²	118	134.8 Å²	134.8	83%	0.825	78%	0.783	S	S	*	*			trans	67.4	157.4	176.7	85.2	0	0	0	0	115.2
267	S	27.2	Very low	27.5	Very low	100 Å²	100	136.5 Å²	136.5	70%	0.699	79%	0.788	S	S	*	*			cis	-176.2	155.2	-24.5	49.3	0	0	0	0	108.7
268	S	27.2	Very low	27.4	Very low	98 Å²	98	136.6 Å²	136.6	69%	0.685	78%	0.784	S	S	*	*			cis	-171.9	175.9	-17.1	-86.1	0	0	0	0	107.6
269	N	27.7	Very low	27.5	Very low	147 Å²	147	137.4 Å²	137.4	79%	0.786	79%	0.786	S	S	*	*			trans	67	103	162.6	-59.3	-9.3	0	0	0	116.2
270	S	23.6	Very low	27.4	Very low	100 Å²	100	136 Å²	136	70%	0.699	78%	0.779	S	S	*	*				74.7	114.5	74.3	76.3	0	0	0	0	116
271	T	28.6	Very low	26.9	Very low	153 Å²	153	135.3 Å²	135.3	94%	0.939	78%	0.775	S	S	*	*				-169.2	146.7	129.8	11.6	0	0	0	0	110.3
272	S	24	Very low	26.6	Very low	112 Å²	112	134 Å²	134	78%	0.783	78%	0.777	S	S	*	*			trans	-104.6	144.6	173.5	55.3	0	0	0	0	110.7
273	C	23.4	Very low	26.5	Very low	137 Å²	137	132.3 Å²	132.3	93%	0.926	78%	0.782	S	S	*	*			trans	-154.7	133.7	159.3	-110.5	0	0	0	0	110.4
274	R	22.1	Very low	26.2	Very low	242 Å²	242	133.8 Å²	133.8	91%	0.913	79%	0.788	S	S	*	*			trans	-92.7	137	168.6	-73.2	171.3	163.8	163.8	-8	108.9
275	S	26.2	Very low	26	Very low	114 Å²	114	137.9 Å²	137.9	80%	0.797	79%	0.793	S	S	*	*				-177.5	138.1	126.8	42.2	0	0	0	0	114.6
276	N	25.7	Very low	26	Very low	139 Å²	139	140.1 Å²	140.1	74%	0.743	80%	0.803	S	S	*	*			trans	-21	145.9	158.4	-41.6	1.1	0	0	0	115.5
277	N	26.9	Very low	25.8	Very low	148 Å²	148	138.2 Å²	138.2	79%	0.791	80%	0.795	S	S	*	*				-162.2	171	57.5	-90.7	-53.8	0	0	0	114.1
278	N	24.9	Very low	25.7	Very low	137 Å²	137	139.9 Å²	139.9	73%	0.733	80%	0.8	S	S	*	*			trans	-52.7	153.5	179.2	-49.3	-3.5	0	0	0	116
279	I	30.5	Very low	25.5	Very low	166 Å²	166	140.4 Å²	140.4	85%	0.851	80%	0.799	S	S	*	*			trans	-151.3	138.2	130.1	-98	152.3	0	0	0	107.2
280	D	25.8	Very low	25.4	Very low	128 Å²	128	139.2 Å²	139.2	68%	0.684	80%	0.798	S	S	*	*			trans	-79.3	156.3	-174.9	-54.1	-88.1	0	0	0	113.8
281	N	27.4	Very low	25.4	Very low	151 Å²	151	139.1 Å²	139.1	81%	0.807	79%	0.792	S	S	*	*				-177.9	122	119.7	-97.2	-62.5	0	0	0	114.1
282	S	25.2	Very low	25.2	Very low	111 Å²	111	137.5 Å²	137.5	78%	0.776	78%	0.778	S	S	*	*			trans	34.6	107.1	146.7	64.3	0	0	0	0	121.3
283	A	28.1	Very low	25.2	Very low	101 Å²	101	141.3 Å²	141.3	84%	0.835	78%	0.781	S	S	*	*			trans	-143.1	140.7	143.8	0	0	0	0	0	109.2	R285	A283-R285 PolarHBondContact O-N 3.3Å
284	I	23.8	Very low	25.4	Very low	166 Å²	166	141 Å²	141	85%	0.851	77%	0.77	S	S	*	*			trans	-77.6	125.9	-165	-63.2	167.9	0	0	0	111.5
285	R	23.4	Very low	25.6	Very low	238 Å²	238	138.1 Å²	138.1	90%	0.898	77%	0.767	S	S	*	*			trans	-115.7	112.3	162.2	-83.9	-173.7	167.1	-158.6	-3.3	109.3	A283 A287	A283-R285 PolarHBondContact O-N 3.3Å; R285-A287 PolarHBondContact O-N 3.13Å
286	T	25.7	Very low	25.7	Very low	136 Å²	136	140.7 Å²	140.7	83%	0.834	77%	0.771	S	S	*	*			trans	-75.6	102.7	169.9	-50.9	0	0	0	0	108.8
287	A	24.8	Very low	25.7	Very low	79 Å²	79	141.1 Å²	141.1	65%	0.653	77%	0.773	S	S	*	*			trans	-80.1	126.6	-178.7	0	0	0	0	0	111.4	R285	R285-A287 PolarHBondContact O-N 3.13Å
288	V	24.7	Very low	25.9	Very low	135 Å²	135	138.6 Å²	138.6	82%	0.818	77%	0.765	S	S	*	*			trans	-85.8	104.1	157.9	177.6	0	0	0	0	106.6	T290	V288-T290 PolarHBondContact O-N 3.08Å
289	T	23.9	Very low	25.9	Very low	109 Å²	109	139.4 Å²	139.4	67%	0.669	76%	0.764	S	S	*	*			trans	-70.5	99.3	-172	-45	0	0	0	0	111.6	V291	T289-V291 HydrophobicContact CG2-CG2 3.66Å; T289-V291 PolarHBondContact O-N 2.9Å; T289-V291 VanDerWaalsContact O-N 3.1Å
290	T	23.9	Very low	25.6	Very low	122 Å²	122	137.8 Å²	137.8	75%	0.748	76%	0.757	S	S	*	*			trans	-68.6	97.5	159.8	48.4	0	0	0	0	108.7	V288 N292	V288-T290 PolarHBondContact O-N 3.08Å; T290-N292 PolarHBondContact O-N 3.24Å
291	V	24.7	Very low	25.6	Very low	97 Å²	97	139.2 Å²	139.2	59%	0.588	76%	0.76	S	S	*	*			trans	-84.5	92.6	172.5	-175.3	0	0	0	0	108.4	T289 F293	T289-V291 HydrophobicContact CG2-CG2 3.66Å; T289-V291 PolarHBondContact O-N 2.9Å; T289-V291 VanDerWaalsContact O-N 3.1Å; V291-F293 HydrophobicContact CG1-CD2 3.37Å; V291-F293 HydrophobicContact CG1-CE2 3.52Å; V291-F293 HydrophobicContact CG1-CG 4.39Å
292	N	23.7	Very low	25.5	Very low	120 Å²	120	137 Å²	137	64%	0.642	75%	0.748	S	S	*	*			trans	-72.2	131.4	156.9	-81.1	50.1	0	0	0	108.1	T290 D294	T290-N292 PolarHBondContact O-N 3.24Å; N292-D294 PolarHBondContact ND2-OD2 2.84Å
293	F	25	Very low	25.4	Very low	192 Å²	192	141.7 Å²	141.7	84%	0.842	75%	0.749	S	S	*	*			trans	-133.1	83.9	159.5	-90.2	-61.8	0	0	0	107.5	V291	V291-F293 HydrophobicContact CG1-CD2 3.37Å; V291-F293 HydrophobicContact CG1-CE2 3.52Å; V291-F293 HydrophobicContact CG1-CG 4.39Å
294	D	26.8	Very low	25.2	Very low	129 Å²	129	141 Å²	141	69%	0.69	73%	0.734	S	S	*	*			trans	-87.4	157.1	162.3	-63.4	-71	0	0	0	109.2	N292	N292-D294 PolarHBondContact ND2-OD2 2.84Å
295	E	25.9	Very low	25.2	Very low	182 Å²	182	137.9 Å²	137.9	85%	0.85	72%	0.723	S	S	*	*			trans	64.8	94.4	162.1	-159.5	165.3	-137.6	0	0	117.9
296	L	28.2	Very low	25.5	Very low	169 Å²	169	128.2 Å²	128.2	89%	0.885	69%	0.691	S	S	*	*				-173.9	117.2	113.7	-96.3	169.6	0	0	0	111.8
297	D	26	Very low	25.5	Very low	147 Å²	147	124.9 Å²	124.9	79%	0.786	67%	0.671	S	S	*	*			trans	-81.3	170	164.9	-140.8	26.6	0	0	0	108.9
298	P	32.1	Very low	25.6	Very low	96 Å²	96	122.3 Å²	122.3	62%	0.623	65%	0.652	S	S	*	*			cis	-140.8	-176.1	9.3	34	-10.1	0	0	0	117.3
299	Q	24.1	Very low	25.9	Very low	154 Å²	154	116.6 Å²	116.6	72%	0.72	62%	0.618	S	S	*	*			trans	93.7	129.5	156.6	-53	-151	-107.1	0	0	119.7
300	D	25.1	Very low	26.2	Very low	131 Å²	131	115.9 Å²	115.9	70%	0.701	61%	0.609	S	S	*	*			trans	49.5	135.2	142.1	-42.4	-16.7	0	0	0	119.5
301	E	25.4	Very low	26.5	Very low	158 Å²	158	111.3 Å²	111.3	74%	0.738	58%	0.578	S	S	*	*			cis	-164.7	146.7	-8.4	-118.4	-153.9	126.9	0	0	109
302	N	24.6	Very low	26.7	Very low	105 Å²	105	109 Å²	109	56%	0.561	57%	0.57	S	S	*	*				31.7	139.8	122	-70.2	-15.8	0	0	0	120.7
303	W	24.3	Very low	26.9	Very low	210 Å²	210	109.8 Å²	109.8	80%	0.795	57%	0.574	S	S	*	*			cis	-144.7	-175.3	-18.7	-70.2	91.6	0	0	0	104.8
304	T	23.2	Very low	26.9	Very low	85 Å²	85	106.7 Å²	106.7	52%	0.521	57%	0.566	S	S	.	*			cis	70.1	142.6	14.6	56.2	0	0	0	0	117.4	E761	T304-E761 WeakPolarHBondContact CA-OE1 3.31Å
305	T	24.4	Very low	26.8	Very low	102 Å²	102	106.6 Å²	106.6	63%	0.626	56%	0.564	S	S	*	*			cis	-141.2	171.2	-24.5	8.8	0	0	0	0	106.3	E761	T305-E761 WeakPolarHBondContact CA-OE2 3.39Å; T305-E761 PolarHBondContact N-OE2 3.33Å
306	P	28.7	Very low	26.8	Very low	35 Å²	35	104.8 Å²	104.8	23%	0.227	56%	0.56	C	S	.	*			trans	-112.9	-151.3	-145.9	7.9	19.2	0	0	0	113.3	E761 N763	P306-E761 HydrophobicContact CB-CB 4.06Å; P306-E761 HydrophobicContact CG-CB 3.63Å; P306-E761 HydrophobicContact CG-CG 4.47Å; P306-N763 VanDerWaalsContact CB-C 3.46Å; P306-N763 HydrophobicContact CB-CB 3.76Å; P306-N763 HydrophobicContact CG-CB 4.07Å
307	T	26	Very low	26.8	Very low	65 Å²	65	105.3 Å²	105.3	40%	0.399	56%	0.558	S	S	.	*			trans	86.4	160	164.7	-8.9	0	0	0	0	118.4	N763 N767	T307-N763 WeakPolarHBondContact CA-O 3.48Å; T307-N763 HydrophobicContact CG2-CB 3.74Å; T307-N763 PolarHBondContact N-O 3.11Å; T307-N763 PolarHBondContact OG1-ND2 3.43Å; T307-N767 PolarHBondContact O-ND2 3.1Å
308	G	27.4	Very low	26.8	Very low	26 Å²	26	103.7 Å²	103.7	27%	0.268	55%	0.553	S	S	.	*			trans	95.2	103.2	168.8	0	0	0	0	0	112.9	N767	G308-N767 VanDerWaalsContact C-OD1 3.26Å; G308-N767 PolarHBondContact N-ND2 2.86Å; G308-N767 PolarHBondContact N-OD1 2.98Å; G308-N767 VanDerWaalsContact N-OD1 3.07Å; G308-N767 PolarHBondContact O-ND2 2.83Å; G308-N767 PolarHBondContact O-OD1 3.44Å
309	S	31.6	Very low	26.6	Very low	15 Å²	15	105.3 Å²	105.3	11%	0.105	56%	0.56	C	S	.	*			cis	68.8	128.6	16	89.9	0	0	0	0	114.5	N731 I734 E735 K738 N767	S309-N731 CarbonylContact C-O 3.42Å; S309-I734 VanDerWaalsContact CA-CG2 3.45Å; S309-I734 WeakPolarHBondContact CB-O 3.5Å; S309-I734 VanDerWaalsContact N-CG2 3.35Å; S309-E735 VanDerWaalsContact CB-OE2 3.29Å; S309-E735 WeakPolarHBondContact CB-OE2 3.33Å; S309-E735 PolarHBondContact OG-OE2 3.21Å; S309-K738 PolarHBondContact OG-NZ 3.02Å; S309-N767 PolarHBondContact N-OD1 2.9Å
310	M	29.4	Very low	26.8	Very low	94 Å²	94	103.4 Å²	103.4	46%	0.463	56%	0.564	S	S	.	*			trans	-177.2	137.9	174.4	-162.4	174.3	174.5	0	0	108.5	N731 R732 S733 I734 E735	M310-N731 CarbonylContact C-O 3.53Å; M310-N731 VanDerWaalsContact CA-O 3.23Å; M310-N731 WeakPolarHBondContact CA-O 3.45Å; M310-N731 PolarHBondContact N-O 3.29Å; M310-R732 CarbonylContact O-C 3.2Å; M310-R732 WeakPolarHBondContact O-CA 3.28Å; M310-S733 CarbonylContact O-C 3.55Å; M310-S733 PolarHBondContact O-N 2.88Å; M310-I734 PolarHBondContact O-N 3.46Å; M310-E735 HydrophobicContact CB-CB 3.35Å; M310-E735 HydrophobicContact CB-CG 3.97Å; M310-E735 HydrophobicContact CG-CB 4.08Å; M310-E735 HydrophobicContact CG-CG 4.34Å; M310-E735 VanDerWaalsContact N-N 3.15Å; M310-E735 PolarHBondContact O-N 3.41Å; M310-E735 HydrophobicContact SD-CG 4.47Å
311	E	29.3	Very low	27.1	Very low	25 Å²	25	100.2 Å²	100.2	12%	0.117	56%	0.563	C	S	.	*			trans	61.1	164.3	141.2	-46.7	-159.3	179.1	0	0	123	R732 D736 F871	E311-R732 CarbonylContact C-O 3.38Å; E311-R732 HydrophobicContact CB-CB 3.82Å; E311-R732 HydrophobicContact CB-CG 4.02Å; E311-R732 HydrophobicContact CG-CB 4.41Å; E311-R732 HydrophobicContact CG-CG 4.08Å; E311-R732 CarbonylContact O-C 3.46Å; E311-R732 VanDerWaalsContact O-O 3.06Å; E311-R732 VanDerWaalsContact OE2-CD 3.28Å; E311-R732 WeakPolarHBondContact OE2-CD 3.27Å; E311-R732 IonicContact OE2-NE 3.06Å; E311-R732 IonicContact OE2-NH1 3.32Å; E311-D736 WeakPolarHBondContact O-CB 3.43Å; E311-D736 PolarHBondContact O-N 3.13Å; E311-F871 WeakPolarHBondContact OE1-CE2 3.32Å; E311-F871 WeakPolarHBondContact OE1-CZ 3.16Å
312	A	30.1	Very low	27.3	Very low	50 Å²	50	102.1 Å²	102.1	41%	0.413	57%	0.571	S	S	.	*			cis	-167.5	113.6	-37.9	0	0	0	0	0	116.2	D736	A312-D736 WeakPolarHBondContact CA-OD1 3.46Å; A312-D736 VanDerWaalsContact CA-OD2 3.25Å; A312-D736 WeakPolarHBondContact CA-OD2 3.5Å; A312-D736 PolarHBondContact N-OD1 2.97Å; A312-D736 PolarHBondContact N-OD2 2.93Å
313	L	27.1	Very low	27.6	Very low	136 Å²	136	101.4 Å²	101.4	71%	0.712	58%	0.575	S	S	*	*			trans	66.9	175.5	144.5	-47.3	167.4	0	0	0	117	D736	L313-D736 PolarHBondContact N-OD1 2.95Å; L313-D736 PolarHBondContact N-OD2 3.46Å
314	N	25.7	Very low	27.9	Very low	127 Å²	127	98.9 Å²	98.9	68%	0.679	58%	0.575	S	S	*	*			cis	-164.3	177	5.3	-144.6	-26	0	0	0	113.2
315	I	25.4	Very low	28.2	Very low	126 Å²	126	98.6 Å²	98.6	65%	0.646	58%	0.577	S	S	*	*			trans	82.7	115.4	143.6	-80.2	161.7	0	0	0	123.1
316	N	25.4	Very low	28.6	Very low	144 Å²	144	101.5 Å²	101.5	77%	0.77	58%	0.583	S	S	*	*			trans	55.5	122.8	142.1	-57.9	-6.5	0	0	0	124.5
317	H	27.7	Very low	28.7	Very low	181 Å²	181	105.5 Å²	105.5	84%	0.838	60%	0.603	S	S	*	*				-147.5	-164.9	124.8	-140.7	-103.8	0	0	0	113.9
318	V	26.1	Very low	29	Very low	113 Å²	113	107.7 Å²	107.7	69%	0.685	62%	0.62	S	S	*	*			trans	-154.3	178.6	-155.8	102.1	0	0	0	0	113.7
319	V	28.1	Very low	29.3	Very low	129 Å²	129	111 Å²	111	78%	0.782	64%	0.64	S	S	*	*			trans	90.1	135	-179.3	-173.5	0	0	0	0	113.3
320	S	28.7	Very low	29.3	Very low	114 Å²	114	118.1 Å²	118.1	80%	0.797	68%	0.676	S	S	*	*			cis	-165.1	165.3	-14.8	51.2	0	0	0	0	108
321	G	30.6	Very low	29.1	Very low	65 Å²	65	119.1 Å²	119.1	67%	0.67	69%	0.693	S	S	*	*			cis	161.3	170.5	0.1	0	0	0	0	0	110.8
322	E	30.1	Very low	29.2	Very low	197 Å²	197	124 Å²	124	92%	0.921	73%	0.729	S	S	*	*			trans	67.1	144.5	165.5	-70.4	-178	169.7	0	0	118.8
323	S	30.3	Very low	29.2	Very low	91 Å²	91	124.8 Å²	124.8	64%	0.636	74%	0.743	S	S	*	*			cis	-165.6	172.1	-4.5	50.7	0	0	0	0	113
324	I	30.3	Very low	29.4	Very low	156 Å²	156	126 Å²	126	80%	0.8	75%	0.748	S	S	*	*			trans	72.7	133.6	157.5	-68.7	158.1	0	0	0	117.5
325	S	30.3	Very low	29.4	Very low	80 Å²	80	127.7 Å²	127.7	56%	0.559	75%	0.754	S	S	*	*			cis	-173.6	145.2	-13.3	57	0	0	0	0	113.3
326	Q	31.9	Very low	29.5	Very low	163 Å²	163	128.8 Å²	128.8	76%	0.762	76%	0.761	S	S	*	*			trans	62.7	153.7	146.3	-66.7	-178.4	-87.1	0	0	120.4
327	D	31.9	Very low	29.9	Very low	119 Å²	119	131.5 Å²	131.5	64%	0.636	77%	0.766	S	S	*	*			cis	-163.2	154.6	-14.9	-112.5	-20.7	0	0	0	112.9
328	S	32.4	Very low	29.9	Very low	110 Å²	110	128.4 Å²	128.4	77%	0.769	77%	0.765	S	S	*	*			trans	64.6	155.7	150.1	74.3	0	0	0	0	121.4
329	S	32.7	Very low	30.3	Very low	96 Å²	96	128.2 Å²	128.2	67%	0.671	77%	0.766	S	S	*	*			cis	-170.4	145.3	-28.5	58.4	0	0	0	0	113.6
330	N	30.9	Very low	30.2	Very low	164 Å²	164	130 Å²	130	88%	0.877	77%	0.77	S	S	*	*			trans	70	162	143.2	-64.5	-11.2	0	0	0	122.5
331	S	25.3	Very low	30.3	Very low	115 Å²	115	130 Å²	130	80%	0.804	77%	0.765	S	S	*	*			trans	-138.5	153.1	-161.8	56.5	0	0	0	0	113.9
332	S	32	Very low	30.4	Very low	127 Å²	127	135.9 Å²	135.9	89%	0.888	78%	0.775	S	S	*	*			trans	175	158.6	159	44	0	0	0	0	109.6
333	G	31.3	Very low	30.3	Very low	67 Å²	67	135.7 Å²	135.7	69%	0.691	77%	0.774	S	S	*	*			cis	163.9	124.5	-12.6	0	0	0	0	0	114.7
334	I	30.5	Very low	30.3	Very low	161 Å²	161	136.5 Å²	136.5	83%	0.826	78%	0.777	S	S	*	*			trans	81.6	110.7	148.7	-60.9	174.7	0	0	0	120.4
335	M	26.6	Very low	30.7	Very low	163 Å²	163	132.6 Å²	132.6	80%	0.803	76%	0.764	S	S	*	*			trans	53.9	131.2	142.3	-66.6	174.6	152.1	0	0	123
336	N	27.5	Very low	31.7	Very low	149 Å²	149	134 Å²	134	80%	0.797	77%	0.769	S	S	*	*				-175.3	156.9	100.3	-103.3	-67.3	0	0	0	115.7
337	K	32.6	Very low	32.7	Very low	202 Å²	202	128.6 Å²	128.6	88%	0.878	75%	0.75	S	S	*	*			trans	76.2	133.3	166	-65.6	175	-178.4	177.8	0	121
338	S	28.2	Very low	34.3	Very low	115 Å²	115	129.4 Å²	129.4	80%	0.804	75%	0.75	S	S	*	*			trans	-119.6	-175.3	163.5	-24.3	0	0	0	0	108.2
339	P	34.4	Very low	36.4	Very low	110 Å²	110	128.7 Å²	128.7	71%	0.714	74%	0.741	S	S	*	*			cis	-130	-160.3	-11.1	41.1	-23.2	0	0	0	112.9
340	L	25.7	Very low	38.9	Very low	165 Å²	165	127.3 Å²	127.3	86%	0.864	72%	0.723	S	S	*	*			trans	79.1	160.4	169.9	-69.3	157	0	0	0	117.9
341	V	30.1	Very low	41.6	Very low	116 Å²	116	120.5 Å²	120.5	70%	0.703	69%	0.686	S	S	*	*			trans	89.5	116.1	172.2	-171.7	0	0	0	0	117.6
342	Q	34.6	Very low	44.3	Very low	187 Å²	187	116.9 Å²	116.9	87%	0.874	67%	0.667	S	S	*	*			trans	63.7	134.6	157.2	-69	160.3	6.4	0	0	120.4
343	Q	26.8	Very low	46.9	Very low	193 Å²	193	115.9 Å²	115.9	90%	0.902	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-92.6	143.8	171.7	-68.7	177.3	-61.4	0	0	110.7
344	P	31.5	Very low	49.5	Very low	108 Å²	108	112.7 Å²	112.7	70%	0.701	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-73.5	158.3	174.6	-15.1	30.6	0	0	0	113.5
345	S	37.6	Very low	52.2	Low	75 Å²	75	109.4 Å²	109.4	52%	0.524	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-71.8	144.2	173.8	48.4	0	0	0	0	112.7	S347 Q348	S345-S347 PolarHBondContact O-N 2.85Å; S345-Q348 PolarHBondContact O-N 2.96Å
346	T	51	Low	55	Low	108 Å²	108	105.6 Å²	105.6	66%	0.663	59%	0.592	S	S	*	*	H	α-helix	trans	-64.5	-7.4	-170.3	40.6	0	0	0	0	116.9	K350	T346-K350 WeakPolarHBondContact O-CD 3.44Å
347	S	54	Low	57.7	Low	50 Å²	50	102.5 Å²	102.5	35%	0.35	58%	0.575	S	S	.	*	H	α-helix	trans	-83	-34.6	178.6	49.8	0	0	0	0	113.1	S345 K350 L351	S345-S347 PolarHBondContact O-N 2.85Å; S347-K350 PolarHBondContact O-N 2.95Å; S347-L351 PolarHBondContact O-N 2.84Å
348	Q	65.4	Low	60.3	Low	137 Å²	137	94.5 Å²	94.5	64%	0.64	54%	0.54	S	S	*	.	H	α-helix	trans	-70	-36.3	-173.4	-73.6	-171.9	-26	0	0	113.6	S345 G352	S345-Q348 PolarHBondContact O-N 2.96Å; Q348-G352 PolarHBondContact O-N 3.42Å; Q348-G352 VanDerWaalsContact O-N 3.15Å
349	T	75.8	Confident	62.8	Low	95 Å²	95	93.7 Å²	93.7	58%	0.583	53%	0.532	S	S	*	.	H	α-helix	trans	-63.2	-42.8	175	29.9	0	0	0	0	112	G352 E353	T349-G352 WeakPolarHBondContact O-CA 3.3Å; T349-G352 PolarHBondContact O-N 2.74Å; T349-G352 VanDerWaalsContact O-N 3.1Å; T349-E353 PolarHBondContact O-N 3.48Å
350	K	85.3	Confident	65	Low	66 Å²	66	96.3 Å²	96.3	29%	0.287	54%	0.54	S	S	.	.	H	α-helix	trans	-66.7	-37.2	-179.6	-65.3	178	171.6	-169.1	0	113	T346 S347 G352 E353 L354 L370 D375 V377	T346-K350 WeakPolarHBondContact O-CD 3.44Å; S347-K350 PolarHBondContact O-N 2.95Å; K350-G352 VanDerWaalsContact C-N 3.31Å; K350-E353 PolarHBondContact O-N 2.94Å; K350-L354 PolarHBondContact O-N 2.92Å; K350-L354 VanDerWaalsContact O-N 3.16Å; K350-L370 HydrophobicContact CB-CD1 4.08Å; K350-L370 HydrophobicContact CB-CD2 4.06Å; K350-D375 HydrophobicContact CD-CB 3.86Å; K350-D375 VanDerWaalsContact CD-O 3.28Å; K350-D375 WeakPolarHBondContact CD-O 3.18Å; K350-D375 WeakPolarHBondContact CE-O 3.44Å; K350-D375 PolarHBondContact NZ-O 2.97Å; K350-V377 HydrophobicContact CB-CG2 3.77Å; K350-V377 HydrophobicContact CG-CG2 4.11Å
351	L	87.6	Confident	67.6	Low	22 Å²	22	90.2 Å²	90.2	12%	0.115	51%	0.508	C	S	.	.	H	α-helix	trans	-64	-38.6	170.8	-176.3	63.1	0	0	0	111.4	S347 E353 L354 M355 L366 E367 L370	S347-L351 PolarHBondContact O-N 2.84Å; L351-E353 VanDerWaalsContact C-N 3.35Å; L351-E353 PolarHBondContact O-N 3.16Å; L351-L354 PolarHBondContact O-N 2.79Å; L351-M355 HydrophobicContact CG-CG 4.47Å; L351-M355 HydrophobicContact CG-SD 4.24Å; L351-M355 WeakPolarHBondContact O-CB 3.47Å; L351-M355 WeakPolarHBondContact O-CG 3.5Å; L351-M355 PolarHBondContact O-N 3.02Å; L351-L366 HydrophobicContact CD1-CB 3.7Å; L351-E367 HydrophobicContact CD1-CG 3.73Å; L351-E367 HydrophobicContact CD2-CG 3.63Å; L351-E367 WeakPolarHBondContact CD2-OE1 3.16Å; L351-E367 HydrophobicContact CG-CG 4.3Å; L351-L370 HydrophobicContact CB-CD2 4.28Å
352	G	83.1	Confident	70.2	Confident	39 Å²	39	92.2 Å²	92.2	40%	0.402	51%	0.507	S	S	.	.	H	α-helix	trans	-59.8	-40.6	174	0	0	0	0	0	113.4	Q348 T349 K350 M355 A356	Q348-G352 PolarHBondContact O-N 3.42Å; Q348-G352 VanDerWaalsContact O-N 3.15Å; T349-G352 WeakPolarHBondContact O-CA 3.3Å; T349-G352 PolarHBondContact O-N 2.74Å; T349-G352 VanDerWaalsContact O-N 3.1Å; K350-G352 VanDerWaalsContact C-N 3.31Å; G352-M355 PolarHBondContact O-N 3.16Å; G352-A356 PolarHBondContact O-N 2.67Å
353	E	85.8	Confident	72.6	Confident	106 Å²	106	86 Å²	86	50%	0.495	48%	0.484	S	S	.	.	H	α-helix	trans	-62.5	-46.5	173.8	-69.1	170.1	-157.3	0	0	111.6	T349 K350 L351 M355 A356 I357 V377	T349-E353 PolarHBondContact O-N 3.48Å; K350-E353 PolarHBondContact O-N 2.94Å; L351-E353 VanDerWaalsContact C-N 3.35Å; L351-E353 PolarHBondContact O-N 3.16Å; E353-M355 PolarHBondContact O-N 2.96Å; E353-A356 WeakPolarHBondContact O-CB 3.29Å; E353-A356 PolarHBondContact O-N 2.69Å; E353-I357 WeakPolarHBondContact O-CG1 3.44Å; E353-I357 PolarHBondContact O-N 3.18Å; E353-I357 VanDerWaalsContact O-N 3.09Å; E353-V377 HydrophobicContact CB-CG1 4.07Å; E353-V377 HydrophobicContact CB-CG2 4.37Å
354	L	86.2	Confident	75.3	Confident	0 Å²	0	81.1 Å²	81.1	0%	0	46%	0.464	C	S	.	.	H	α-helix	trans	-63	-37.8	175	-89.9	150.7	0	0	0	113.4	K350 L351 A356 I357 F358 L366 L370 V377 A380 I384	K350-L354 PolarHBondContact O-N 2.92Å; K350-L354 VanDerWaalsContact O-N 3.16Å; L351-L354 PolarHBondContact O-N 2.79Å; L354-A356 VanDerWaalsContact C-N 3.29Å; L354-A356 PolarHBondContact O-N 2.84Å; L354-I357 PolarHBondContact O-N 3.42Å; L354-F358 HydrophobicContact CD2-CD2 4.03Å; L354-F358 HydrophobicContact CD2-CE2 4.08Å; L354-F358 PolarHBondContact O-N 3.31Å; L354-L366 HydrophobicContact CB-CB 4.41Å; L354-L366 HydrophobicContact CB-CD2 4.38Å; L354-L366 HydrophobicContact CD2-CD2 4.23Å; L354-L370 HydrophobicContact CD1-CB 3.91Å; L354-L370 HydrophobicContact CD1-CD1 3.72Å; L354-L370 HydrophobicContact CD1-CG 4.26Å; L354-V377 HydrophobicContact CD1-CG2 4.5Å; L354-V377 HydrophobicContact CG-CG1 4.3Å; L354-A380 HydrophobicContact CD1-CB 3.8Å; L354-A380 HydrophobicContact CD2-CB 3.91Å; L354-A380 HydrophobicContact CG-CB 4.42Å; L354-I384 HydrophobicContact CD2-CD1 3.61Å
355	M	85.7	Confident	77.8	Confident	91 Å²	91	77.9 Å²	77.9	45%	0.448	44%	0.443	S	S	.	.	H	α-helix	trans	-67.8	-28.1	175.3	-73.7	-177.7	72	0	0	112.6	L351 G352 E353 P359 L366	L351-M355 HydrophobicContact CG-CG 4.47Å; L351-M355 HydrophobicContact CG-SD 4.24Å; L351-M355 WeakPolarHBondContact O-CB 3.47Å; L351-M355 WeakPolarHBondContact O-CG 3.5Å; L351-M355 PolarHBondContact O-N 3.02Å; G352-M355 PolarHBondContact O-N 3.16Å; E353-M355 PolarHBondContact O-N 2.96Å; M355-P359 WeakPolarHBondContact O-CA 3.46Å; M355-L366 HydrophobicContact CB-CD1 4.32Å; M355-L366 HydrophobicContact CG-CD1 3.57Å
356	A	85.9	Confident	80.2	Confident	83 Å²	83	74.3 Å²	74.3	69%	0.686	42%	0.418	S	S	*	.	H	α-helix	trans	-74.7	-34	172.2	0	0	0	0	0	112.6	G352 E353 L354	G352-A356 PolarHBondContact O-N 2.67Å; E353-A356 WeakPolarHBondContact O-CB 3.29Å; E353-A356 PolarHBondContact O-N 2.69Å; L354-A356 VanDerWaalsContact C-N 3.29Å; L354-A356 PolarHBondContact O-N 2.84Å
357	I	84.4	Confident	81.9	Confident	84 Å²	84	74 Å²	74	43%	0.431	41%	0.408	S	S	.	.	H	α-helix	trans	-75.5	-39.9	176.9	-60.9	163	0	0	0	111.2	E353 L354 P359 V377 T381	E353-I357 WeakPolarHBondContact O-CG1 3.44Å; E353-I357 PolarHBondContact O-N 3.18Å; E353-I357 VanDerWaalsContact O-N 3.09Å; L354-I357 PolarHBondContact O-N 3.42Å; I357-P359 VanDerWaalsContact C-CD 3.5Å; I357-P359 WeakPolarHBondContact O-CD 3.26Å; I357-V377 HydrophobicContact CD1-CG1 4.1Å; I357-T381 HydrophobicContact CG2-CG2 4.35Å
358	F	87	Confident	83.3	Confident	34 Å²	34	77.4 Å²	77.4	15%	0.149	42%	0.419	C	S	.	.			trans	-125.7	66	-174.9	-58.2	-78.8	0	0	0	113.1	L354 N360 L361 L366 T381 I384 L385	L354-F358 HydrophobicContact CD2-CD2 4.03Å; L354-F358 HydrophobicContact CD2-CE2 4.08Å; L354-F358 PolarHBondContact O-N 3.31Å; F358-N360 PolarHBondContact O-N 2.81Å; F358-L361 HydrophobicContact CB-CB 4.2Å; F358-L361 HydrophobicContact CB-CD1 3.9Å; F358-L361 HydrophobicContact CB-CG 4.18Å; F358-L361 HydrophobicContact CD1-CD1 4.33Å; F358-L361 HydrophobicContact CG-CD1 4.11Å; F358-L361 PolarHBondContact O-N 3.43Å; F358-L366 HydrophobicContact CB-CD2 4.07Å; F358-L366 HydrophobicContact CD2-CD2 4.22Å; F358-L366 HydrophobicContact CG-CD2 4.49Å; F358-T381 HydrophobicContact CE2-CG2 3.95Å; F358-T381 HydrophobicContact CZ-CG2 3.83Å; F358-I384 HydrophobicContact CD1-CG2 3.87Å; F358-I384 HydrophobicContact CD2-CD1 3.7Å; F358-I384 HydrophobicContact CD2-CG2 4.34Å; F358-I384 HydrophobicContact CE1-CB 4.3Å; F358-I384 HydrophobicContact CE1-CG2 3.44Å; F358-I384 VanDerWaalsContact CE1-CG2 3.44Å; F358-I384 HydrophobicContact CE2-CB 4.09Å; F358-I384 HydrophobicContact CE2-CD1 3.55Å; F358-I384 HydrophobicContact CE2-CG1 4.42Å; F358-I384 HydrophobicContact CE2-CG2 3.96Å; F358-I384 HydrophobicContact CG-CD1 4.44Å; F358-I384 HydrophobicContact CG-CG2 4.29Å; F358-I384 HydrophobicContact CZ-CB 3.82Å; F358-I384 HydrophobicContact CZ-CD1 4.19Å; F358-I384 HydrophobicContact CZ-CG2 3.48Å; F358-I384 VanDerWaalsContact CZ-CG2 3.48Å; F358-L385 HydrophobicContact CE1-CD2 4.35Å; F358-L385 HydrophobicContact CZ-CG 4.38Å
359	P	80.7	Confident	84.3	Confident	99 Å²	99	71.9 Å²	71.9	64%	0.643	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-15	-176	25.7	-36	0	0	0	114.8	M355 I357	M355-P359 WeakPolarHBondContact O-CA 3.46Å; I357-P359 VanDerWaalsContact C-CD 3.5Å; I357-P359 WeakPolarHBondContact O-CD 3.26Å
360	N	80.7	Confident	85	Confident	164 Å²	164	67.7 Å²	67.7	88%	0.877	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-6.5	177	-66.4	-29.7	0	0	0	113.9	F358	F358-N360 PolarHBondContact O-N 2.81Å
361	L	80.5	Confident	85	Confident	38 Å²	38	68.8 Å²	68.8	20%	0.199	38%	0.383	C	S	.	.	S	Bend	trans	-94.4	139.9	174.9	-72.6	179	0	0	0	110.8	F358 L366 I384	F358-L361 HydrophobicContact CB-CB 4.2Å; F358-L361 HydrophobicContact CB-CD1 3.9Å; F358-L361 HydrophobicContact CB-CG 4.18Å; F358-L361 HydrophobicContact CD1-CD1 4.33Å; F358-L361 HydrophobicContact CG-CD1 4.11Å; F358-L361 PolarHBondContact O-N 3.43Å; L361-L366 HydrophobicContact CB-CD1 4.18Å; L361-L366 HydrophobicContact CB-CD2 3.82Å; L361-L366 HydrophobicContact CB-CG 3.91Å; L361-L366 HydrophobicContact CD1-CD2 3.75Å; L361-L366 HydrophobicContact CG-CD2 4.44Å; L361-I384 HydrophobicContact CD1-CD1 4.31Å; L361-I384 HydrophobicContact CD1-CG1 4.45Å; L361-I384 HydrophobicContact CD1-CG2 3.73Å
362	K	84.6	Confident	84.8	Confident	158 Å²	158	72.2 Å²	72.2	69%	0.687	40%	0.401	S	S	*	.			trans	-69.6	144.1	176.1	-62.2	-178.1	177.9	-177.8	0	109.9	N364 V365 L366	K362-N364 WeakPolarHBondContact CB-OD1 3.4Å; K362-N364 PolarHBondContact O-N 2.56Å; K362-N364 VanDerWaalsContact O-N 3.14Å; K362-V365 HydrophobicContact CB-CG2 4.47Å; K362-V365 WeakPolarHBondContact O-CB 3.41Å; K362-V365 PolarHBondContact O-N 2.96Å; K362-L366 PolarHBondContact O-N 3.35Å
363	S	84.4	Confident	84.9	Confident	55 Å²	55	70.4 Å²	70.4	39%	0.385	38%	0.382	S	S	.	.	H	α-helix	trans	-54.1	-38.2	-177.1	60.8	0	0	0	0	113.1	V365 L366 E367	S363-V365 VanDerWaalsContact C-N 3.29Å; S363-V365 PolarHBondContact O-N 3.21Å; S363-L366 CarbonylContact O-C 3.58Å; S363-L366 PolarHBondContact O-N 3.23Å; S363-L366 VanDerWaalsContact O-N 3.09Å; S363-E367 WeakPolarHBondContact O-CG 3.42Å; S363-E367 PolarHBondContact O-N 2.79Å
364	N	83.9	Confident	84.7	Confident	91 Å²	91	72.7 Å²	72.7	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-64.6	-29.7	178.7	72.9	-64.5	0	0	0	113.7	K362 E368	K362-N364 WeakPolarHBondContact CB-OD1 3.4Å; K362-N364 PolarHBondContact O-N 2.56Å; K362-N364 VanDerWaalsContact O-N 3.14Å; N364-E368 PolarHBondContact O-N 3.08Å; N364-E368 VanDerWaalsContact O-N 3.15Å
365	V	83.6	Confident	84.6	Confident	40 Å²	40	75.6 Å²	75.6	24%	0.242	41%	0.408	C	S	.	.	H	α-helix	trans	-75.4	-37.2	173.2	-179.9	0	0	0	0	110.3	K362 S363 E368 F369	K362-V365 HydrophobicContact CB-CG2 4.47Å; K362-V365 WeakPolarHBondContact O-CB 3.41Å; K362-V365 PolarHBondContact O-N 2.96Å; S363-V365 VanDerWaalsContact C-N 3.29Å; S363-V365 PolarHBondContact O-N 3.21Å; V365-E368 PolarHBondContact O-N 3.15Å; V365-F369 HydrophobicContact CG1-CD2 3.85Å; V365-F369 HydrophobicContact CG1-CE2 3.75Å; V365-F369 VanDerWaalsContact O-CD2 3.23Å; V365-F369 WeakPolarHBondContact O-CD2 3.27Å; V365-F369 PolarHBondContact O-N 2.77Å
366	L	88.7	Confident	84.6	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-69.6	-34.2	175.6	-62.4	173.8	0	0	0	112.2	L351 L354 M355 F358 L361 K362 S363 L370 I384	L351-L366 HydrophobicContact CD1-CB 3.7Å; L354-L366 HydrophobicContact CB-CB 4.41Å; L354-L366 HydrophobicContact CB-CD2 4.38Å; L354-L366 HydrophobicContact CD2-CD2 4.23Å; M355-L366 HydrophobicContact CB-CD1 4.32Å; M355-L366 HydrophobicContact CG-CD1 3.57Å; F358-L366 HydrophobicContact CB-CD2 4.07Å; F358-L366 HydrophobicContact CD2-CD2 4.22Å; F358-L366 HydrophobicContact CG-CD2 4.49Å; L361-L366 HydrophobicContact CB-CD1 4.18Å; L361-L366 HydrophobicContact CB-CD2 3.82Å; L361-L366 HydrophobicContact CB-CG 3.91Å; L361-L366 HydrophobicContact CD1-CD2 3.75Å; L361-L366 HydrophobicContact CG-CD2 4.44Å; K362-L366 PolarHBondContact O-N 3.35Å; S363-L366 CarbonylContact O-C 3.58Å; S363-L366 PolarHBondContact O-N 3.23Å; S363-L366 VanDerWaalsContact O-N 3.09Å; L366-L370 WeakPolarHBondContact O-CB 3.38Å; L366-L370 PolarHBondContact O-N 3.35Å; L366-I384 HydrophobicContact CD2-CD1 3.65Å
367	E	85.9	Confident	84.7	Confident	101 Å²	101	71.7 Å²	71.7	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-64.6	-41	170	-74.1	173.9	160.5	0	0	111.7	L351 S363 L370 S371	L351-E367 HydrophobicContact CD1-CG 3.73Å; L351-E367 HydrophobicContact CD2-CG 3.63Å; L351-E367 WeakPolarHBondContact CD2-OE1 3.16Å; L351-E367 HydrophobicContact CG-CG 4.3Å; S363-E367 WeakPolarHBondContact O-CG 3.42Å; S363-E367 PolarHBondContact O-N 2.79Å; E367-L370 PolarHBondContact O-N 3.49Å; E367-S371 VanDerWaalsContact O-CB 3.26Å; E367-S371 WeakPolarHBondContact O-CB 3.45Å; E367-S371 PolarHBondContact O-N 3.25Å
368	E	84	Confident	84.8	Confident	122 Å²	122	71.3 Å²	71.3	57%	0.57	38%	0.383	S	S	*	.	H	α-helix	trans	-61.8	-46.8	174.6	-173.9	177.5	-175.4	0	0	111.5	N364 V365 S371 L372	N364-E368 PolarHBondContact O-N 3.08Å; N364-E368 VanDerWaalsContact O-N 3.15Å; V365-E368 PolarHBondContact O-N 3.15Å; E368-S371 PolarHBondContact O-N 3.37Å; E368-L372 HydrophobicContact CG-CD1 4.35Å; E368-L372 WeakPolarHBondContact O-CB 3.49Å; E368-L372 WeakPolarHBondContact O-CG 3.43Å; E368-L372 PolarHBondContact O-N 2.85Å
369	F	87	Confident	84.8	Confident	21 Å²	21	75.1 Å²	75.1	9%	0.092	40%	0.396	C	S	.	.	H	α-helix	trans	-67.6	-36.5	175.4	-80.1	-68.4	0	0	0	113.5	V365 L372 A373 A380 L383 I384 N387	V365-F369 HydrophobicContact CG1-CD2 3.85Å; V365-F369 HydrophobicContact CG1-CE2 3.75Å; V365-F369 VanDerWaalsContact O-CD2 3.23Å; V365-F369 WeakPolarHBondContact O-CD2 3.27Å; V365-F369 PolarHBondContact O-N 2.77Å; F369-L372 HydrophobicContact CD1-CD1 4.36Å; F369-L372 PolarHBondContact O-N 3.23Å; F369-A373 WeakPolarHBondContact O-CB 3.5Å; F369-A373 PolarHBondContact O-N 3.18Å; F369-A380 HydrophobicContact CB-CB 4.43Å; F369-L383 HydrophobicContact CD1-CB 3.68Å; F369-L383 HydrophobicContact CE1-CB 3.94Å; F369-L383 WeakPolarHBondContact CE1-O 3.33Å; F369-I384 HydrophobicContact CB-CD1 4.02Å; F369-I384 HydrophobicContact CB-CG1 3.91Å; F369-I384 HydrophobicContact CD1-CG1 3.88Å; F369-I384 HydrophobicContact CD2-CD1 4.07Å; F369-I384 HydrophobicContact CD2-CG1 3.41Å; F369-I384 VanDerWaalsContact CD2-CG1 3.41Å; F369-I384 HydrophobicContact CE1-CG1 4.21Å; F369-I384 HydrophobicContact CE2-CG1 3.79Å; F369-I384 HydrophobicContact CG-CD1 4.1Å; F369-I384 HydrophobicContact CG-CG1 3.46Å; F369-I384 VanDerWaalsContact CG-CG1 3.46Å; F369-I384 HydrophobicContact CZ-CG1 4.17Å; F369-N387 WeakPolarHBondContact CE1-ND2 3.15Å; F369-N387 HydrophobicContact CZ-CB 4.22Å
370	L	89.9	Confident	85.2	Confident	7 Å²	7	70.4 Å²	70.4	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-66.3	-38.7	174.4	-175.3	65.2	0	0	0	111.4	K350 L351 L354 L366 E367 A373 H374 D375 V377	K350-L370 HydrophobicContact CB-CD1 4.08Å; K350-L370 HydrophobicContact CB-CD2 4.06Å; L351-L370 HydrophobicContact CB-CD2 4.28Å; L354-L370 HydrophobicContact CD1-CB 3.91Å; L354-L370 HydrophobicContact CD1-CD1 3.72Å; L354-L370 HydrophobicContact CD1-CG 4.26Å; L366-L370 WeakPolarHBondContact O-CB 3.38Å; L366-L370 PolarHBondContact O-N 3.35Å; E367-L370 PolarHBondContact O-N 3.49Å; L370-A373 CarbonylContact O-C 3.48Å; L370-A373 PolarHBondContact O-N 3.02Å; L370-H374 PolarHBondContact O-N 3.37Å; L370-H374 VanDerWaalsContact O-N 3.12Å; L370-D375 PolarHBondContact O-N 3.14Å; L370-V377 HydrophobicContact CD1-CG2 4.35Å
371	S	84.9	Confident	85.6	Confident	90 Å²	90	63.9 Å²	63.9	63%	0.629	33%	0.332	S	S	*	.	H	α-helix	trans	-65.2	-47.3	173.8	-176.1	0	0	0	0	111.8	E367 E368 A373 H374	E367-S371 VanDerWaalsContact O-CB 3.26Å; E367-S371 WeakPolarHBondContact O-CB 3.45Å; E367-S371 PolarHBondContact O-N 3.25Å; E368-S371 PolarHBondContact O-N 3.37Å; S371-A373 VanDerWaalsContact C-N 3.25Å; S371-A373 PolarHBondContact O-N 3.08Å; S371-H374 PolarHBondContact O-N 2.92Å; S371-H374 VanDerWaalsContact O-N 3.11Å
372	L	83.1	Confident	85.7	Confident	94 Å²	94	65.2 Å²	65.2	49%	0.492	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-40.7	173.7	-78.4	163.3	0	0	0	111.3	E368 F369 H374 L383	E368-L372 HydrophobicContact CG-CD1 4.35Å; E368-L372 WeakPolarHBondContact O-CB 3.49Å; E368-L372 WeakPolarHBondContact O-CG 3.43Å; E368-L372 PolarHBondContact O-N 2.85Å; F369-L372 HydrophobicContact CD1-CD1 4.36Å; F369-L372 PolarHBondContact O-N 3.23Å; L372-H374 PolarHBondContact O-CE1 3.26Å; L372-H374 PolarHBondContact O-N 3.46Å; L372-H374 PolarHBondContact O-ND1 2.81Å; L372-L383 HydrophobicContact CB-CD1 3.98Å
373	A	85.8	Confident	85.6	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	6.2	178.1	0	0	0	0	0	114.9	F369 L370 S371 D375 N376 W379 A380 L383	F369-A373 WeakPolarHBondContact O-CB 3.5Å; F369-A373 PolarHBondContact O-N 3.18Å; L370-A373 CarbonylContact O-C 3.48Å; L370-A373 PolarHBondContact O-N 3.02Å; S371-A373 VanDerWaalsContact C-N 3.25Å; S371-A373 PolarHBondContact O-N 3.08Å; A373-D375 PolarHBondContact O-N 3.09Å; A373-N376 HydrophobicContact CB-CB 4.49Å; A373-N376 VanDerWaalsContact CB-O 3.31Å; A373-N376 WeakPolarHBondContact CB-O 3.47Å; A373-N376 WeakPolarHBondContact O-CB 3.21Å; A373-N376 PolarHBondContact O-N 3.23Å; A373-W379 VanDerWaalsContact CA-CE3 3.46Å; A373-W379 HydrophobicContact CB-CB 4.1Å; A373-W379 HydrophobicContact CB-CD2 4.15Å; A373-W379 HydrophobicContact CB-CE3 4.07Å; A373-W379 HydrophobicContact CB-CG 4.21Å; A373-W379 VanDerWaalsContact O-CE3 3.31Å; A373-A380 HydrophobicContact CB-CB 3.65Å; A373-A380 VanDerWaalsContact CB-N 3.28Å; A373-L383 HydrophobicContact CB-CD1 4.24Å
374	H	81.8	Confident	85.7	Confident	154 Å²	154	57 Å²	57	71%	0.713	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	48.6	179	-59.8	57.7	0	0	0	112.9	L370 S371 L372 N376 W379	L370-H374 PolarHBondContact O-N 3.37Å; L370-H374 VanDerWaalsContact O-N 3.12Å; S371-H374 PolarHBondContact O-N 2.92Å; S371-H374 VanDerWaalsContact O-N 3.11Å; L372-H374 PolarHBondContact O-CE1 3.26Å; L372-H374 PolarHBondContact O-N 3.46Å; L372-H374 PolarHBondContact O-ND1 2.81Å; H374-N376 PolarHBondContact O-N 3.41Å; H374-W379 AromaticContact ND1-CH2 3.96Å; H374-W379 AromaticContact ND1-CZ3 3.59Å
375	D	83.3	Confident	85.6	Confident	61 Å²	61	57 Å²	57	33%	0.326	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	26.2	-173.2	-72.2	-28.2	0	0	0	114.5	K350 L370 A373	K350-D375 HydrophobicContact CD-CB 3.86Å; K350-D375 VanDerWaalsContact CD-O 3.28Å; K350-D375 WeakPolarHBondContact CD-O 3.18Å; K350-D375 WeakPolarHBondContact CE-O 3.44Å; K350-D375 PolarHBondContact NZ-O 2.97Å; L370-D375 PolarHBondContact O-N 3.14Å; A373-D375 PolarHBondContact O-N 3.09Å
376	N	86	Confident	85	Confident	74 Å²	74	59.6 Å²	59.6	40%	0.396	31%	0.313	S	S	.	.			trans	-100.3	107.5	172.7	-174.2	-5.3	0	0	0	111.7	A373 H374 S378 W379 A380	A373-N376 HydrophobicContact CB-CB 4.49Å; A373-N376 VanDerWaalsContact CB-O 3.31Å; A373-N376 WeakPolarHBondContact CB-O 3.47Å; A373-N376 WeakPolarHBondContact O-CB 3.21Å; A373-N376 PolarHBondContact O-N 3.23Å; H374-N376 PolarHBondContact O-N 3.41Å; N376-S378 VanDerWaalsContact C-N 3.33Å; N376-S378 PolarHBondContact O-N 3.46Å; N376-S378 PolarHBondContact OD1-N 3.15Å; N376-S378 VanDerWaalsContact OD1-N 3.16Å; N376-S378 PolarHBondContact OD1-OG 2.96Å; N376-W379 HydrophobicContact CB-CB 4.09Å; N376-W379 PolarHBondContact O-N 3.48Å; N376-A380 WeakPolarHBondContact O-CB 3.44Å; N376-A380 PolarHBondContact O-N 2.96Å
377	V	89.1	Confident	83.7	Confident	19 Å²	19	64.7 Å²	64.7	12%	0.115	34%	0.34	C	S	.	.	H	α-helix	trans	-60.5	-36.6	-178.1	173.6	0	0	0	0	112.7	K350 E353 L354 I357 L370 T381	K350-V377 HydrophobicContact CB-CG2 3.77Å; K350-V377 HydrophobicContact CG-CG2 4.11Å; E353-V377 HydrophobicContact CB-CG1 4.07Å; E353-V377 HydrophobicContact CB-CG2 4.37Å; L354-V377 HydrophobicContact CD1-CG2 4.5Å; L354-V377 HydrophobicContact CG-CG1 4.3Å; I357-V377 HydrophobicContact CD1-CG1 4.1Å; L370-V377 HydrophobicContact CD1-CG2 4.35Å; V377-T381 WeakPolarHBondContact O-CB 3.34Å; V377-T381 PolarHBondContact O-N 3.39Å; V377-T381 PolarHBondContact O-OG1 3.1Å
378	S	86.2	Confident	82.2	Confident	76 Å²	76	64.2 Å²	64.2	53%	0.531	34%	0.338	S	S	.	.	H	α-helix	trans	-72.9	-42.3	179.1	67.3	0	0	0	0	111.8	N376 T381 T382	N376-S378 VanDerWaalsContact C-N 3.33Å; N376-S378 PolarHBondContact O-N 3.46Å; N376-S378 PolarHBondContact OD1-N 3.15Å; N376-S378 VanDerWaalsContact OD1-N 3.16Å; N376-S378 PolarHBondContact OD1-OG 2.96Å; S378-T381 WeakPolarHBondContact O-CB 3.36Å; S378-T381 PolarHBondContact O-N 3.2Å; S378-T382 PolarHBondContact O-N 3.18Å; S378-T382 PolarHBondContact O-OG1 2.62Å
379	W	86.5	Confident	80.1	Confident	114 Å²	114	63.3 Å²	63.3	43%	0.432	34%	0.341	S	S	.	.	H	α-helix	trans	-68.4	-37.2	176.1	-176.3	24.9	0	0	0	111.9	A373 H374 N376 T381 T382 L383	A373-W379 VanDerWaalsContact CA-CE3 3.46Å; A373-W379 HydrophobicContact CB-CB 4.1Å; A373-W379 HydrophobicContact CB-CD2 4.15Å; A373-W379 HydrophobicContact CB-CE3 4.07Å; A373-W379 HydrophobicContact CB-CG 4.21Å; A373-W379 VanDerWaalsContact O-CE3 3.31Å; H374-W379 AromaticContact ND1-CH2 3.96Å; H374-W379 AromaticContact ND1-CZ3 3.59Å; N376-W379 HydrophobicContact CB-CB 4.09Å; N376-W379 PolarHBondContact O-N 3.48Å; W379-T381 VanDerWaalsContact C-N 3.31Å; W379-T381 PolarHBondContact O-N 2.88Å; W379-T382 PolarHBondContact O-N 2.81Å; W379-L383 HydrophobicContact CD2-CD1 4.48Å; W379-L383 HydrophobicContact CZ2-CD1 4.49Å; W379-L383 WeakPolarHBondContact O-CG 3.39Å; W379-L383 PolarHBondContact O-N 3.29Å
380	A	89.2	Confident	77.4	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-59.3	-43.3	170.4	0	0	0	0	0	111.4	L354 F369 A373 N376 T382 L383 I384	L354-A380 HydrophobicContact CD1-CB 3.8Å; L354-A380 HydrophobicContact CD2-CB 3.91Å; L354-A380 HydrophobicContact CG-CB 4.42Å; F369-A380 HydrophobicContact CB-CB 4.43Å; A373-A380 HydrophobicContact CB-CB 3.65Å; A373-A380 VanDerWaalsContact CB-N 3.28Å; N376-A380 WeakPolarHBondContact O-CB 3.44Å; N376-A380 PolarHBondContact O-N 2.96Å; A380-T382 PolarHBondContact O-N 2.95Å; A380-L383 PolarHBondContact O-N 3.03Å; A380-I384 WeakPolarHBondContact O-CD1 3.33Å; A380-I384 VanDerWaalsContact O-CG1 3.24Å; A380-I384 WeakPolarHBondContact O-CG1 3.48Å; A380-I384 PolarHBondContact O-N 2.98Å
381	T	88.2	Confident	74.5	Confident	27 Å²	27	73.7 Å²	73.7	17%	0.166	40%	0.4	C	S	.	.	H	α-helix	trans	-60.5	-43.4	175	-60.2	0	0	0	0	111.4	I357 F358 V377 S378 W379 I384 L385	I357-T381 HydrophobicContact CG2-CG2 4.35Å; F358-T381 HydrophobicContact CE2-CG2 3.95Å; F358-T381 HydrophobicContact CZ-CG2 3.83Å; V377-T381 WeakPolarHBondContact O-CB 3.34Å; V377-T381 PolarHBondContact O-N 3.39Å; V377-T381 PolarHBondContact O-OG1 3.1Å; S378-T381 WeakPolarHBondContact O-CB 3.36Å; S378-T381 PolarHBondContact O-N 3.2Å; W379-T381 VanDerWaalsContact C-N 3.31Å; W379-T381 PolarHBondContact O-N 2.88Å; T381-I384 PolarHBondContact O-N 2.71Å; T381-L385 HydrophobicContact CG2-CD1 4.16Å; T381-L385 VanDerWaalsContact O-CG 3.3Å; T381-L385 WeakPolarHBondContact O-CG 3.38Å; T381-L385 PolarHBondContact O-N 2.82Å
382	T	83.8	Confident	71.9	Confident	65 Å²	65	80.4 Å²	80.4	40%	0.399	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-46.6	173.7	-52.6	0	0	0	0	112.2	S378 W379 A380 I384 L385 D386	S378-T382 PolarHBondContact O-N 3.18Å; S378-T382 PolarHBondContact O-OG1 2.62Å; W379-T382 PolarHBondContact O-N 2.81Å; A380-T382 PolarHBondContact O-N 2.95Å; T382-I384 VanDerWaalsContact C-N 3.28Å; T382-I384 PolarHBondContact O-N 2.73Å; T382-L385 PolarHBondContact O-N 2.99Å; T382-L385 VanDerWaalsContact O-N 3.14Å; T382-D386 WeakPolarHBondContact O-CB 3.26Å; T382-D386 PolarHBondContact O-N 3.14Å
383	L	82	Confident	69.4	Low	40 Å²	40	83 Å²	83	21%	0.209	42%	0.424	C	S	.	.	H	α-helix	trans	-61.5	-35.1	178.3	-70.9	172.9	0	0	0	112.6	F369 L372 A373 W379 A380 N387	F369-L383 HydrophobicContact CD1-CB 3.68Å; F369-L383 HydrophobicContact CE1-CB 3.94Å; F369-L383 WeakPolarHBondContact CE1-O 3.33Å; L372-L383 HydrophobicContact CB-CD1 3.98Å; A373-L383 HydrophobicContact CB-CD1 4.24Å; W379-L383 HydrophobicContact CD2-CD1 4.48Å; W379-L383 HydrophobicContact CZ2-CD1 4.49Å; W379-L383 WeakPolarHBondContact O-CG 3.39Å; W379-L383 PolarHBondContact O-N 3.29Å; A380-L383 PolarHBondContact O-N 3.03Å; L383-N387 WeakPolarHBondContact O-CB 3.03Å; L383-N387 PolarHBondContact O-N 3.2Å; L383-N387 VanDerWaalsContact O-N 3.15Å
384	I	87.1	Confident	66.6	Low	1 Å²	1	90.6 Å²	90.6	1%	0.005	46%	0.464	C	S	.	.	H	α-helix	trans	-66.5	-49.2	173	-69.1	162.7	0	0	0	110	L354 F358 L361 L366 F369 A380 T381 T382 N387 H388	L354-I384 HydrophobicContact CD2-CD1 3.61Å; F358-I384 HydrophobicContact CD1-CG2 3.87Å; F358-I384 HydrophobicContact CD2-CD1 3.7Å; F358-I384 HydrophobicContact CD2-CG2 4.34Å; F358-I384 HydrophobicContact CE1-CB 4.3Å; F358-I384 HydrophobicContact CE1-CG2 3.44Å; F358-I384 VanDerWaalsContact CE1-CG2 3.44Å; F358-I384 HydrophobicContact CE2-CB 4.09Å; F358-I384 HydrophobicContact CE2-CD1 3.55Å; F358-I384 HydrophobicContact CE2-CG1 4.42Å; F358-I384 HydrophobicContact CE2-CG2 3.96Å; F358-I384 HydrophobicContact CG-CD1 4.44Å; F358-I384 HydrophobicContact CG-CG2 4.29Å; F358-I384 HydrophobicContact CZ-CB 3.82Å; F358-I384 HydrophobicContact CZ-CD1 4.19Å; F358-I384 HydrophobicContact CZ-CG2 3.48Å; F358-I384 VanDerWaalsContact CZ-CG2 3.48Å; L361-I384 HydrophobicContact CD1-CD1 4.31Å; L361-I384 HydrophobicContact CD1-CG1 4.45Å; L361-I384 HydrophobicContact CD1-CG2 3.73Å; L366-I384 HydrophobicContact CD2-CD1 3.65Å; F369-I384 HydrophobicContact CB-CD1 4.02Å; F369-I384 HydrophobicContact CB-CG1 3.91Å; F369-I384 HydrophobicContact CD1-CG1 3.88Å; F369-I384 HydrophobicContact CD2-CD1 4.07Å; F369-I384 HydrophobicContact CD2-CG1 3.41Å; F369-I384 VanDerWaalsContact CD2-CG1 3.41Å; F369-I384 HydrophobicContact CE1-CG1 4.21Å; F369-I384 HydrophobicContact CE2-CG1 3.79Å; F369-I384 HydrophobicContact CG-CD1 4.1Å; F369-I384 HydrophobicContact CG-CG1 3.46Å; F369-I384 VanDerWaalsContact CG-CG1 3.46Å; F369-I384 HydrophobicContact CZ-CG1 4.17Å; A380-I384 WeakPolarHBondContact O-CD1 3.33Å; A380-I384 VanDerWaalsContact O-CG1 3.24Å; A380-I384 WeakPolarHBondContact O-CG1 3.48Å; A380-I384 PolarHBondContact O-N 2.98Å; T381-I384 PolarHBondContact O-N 2.71Å; T382-I384 VanDerWaalsContact C-N 3.28Å; T382-I384 PolarHBondContact O-N 2.73Å; I384-N387 PolarHBondContact O-N 2.73Å; I384-H388 VanDerWaalsContact O-CB 3.28Å; I384-H388 WeakPolarHBondContact O-CB 3.37Å; I384-H388 PolarHBondContact O-CD2 3.45Å; I384-H388 VanDerWaalsContact O-CD2 3.23Å; I384-H388 PolarHBondContact O-N 3.11Å
385	L	81.2	Confident	64.1	Low	91 Å²	91	92 Å²	92	48%	0.476	47%	0.471	S	S	.	.	H	α-helix	trans	-64.4	-41.6	-179.6	-68.8	170.6	0	0	0	112.7	F358 T381 T382 N387 H388 T389	F358-L385 HydrophobicContact CE1-CD2 4.35Å; F358-L385 HydrophobicContact CZ-CG 4.38Å; T381-L385 HydrophobicContact CG2-CD1 4.16Å; T381-L385 VanDerWaalsContact O-CG 3.3Å; T381-L385 WeakPolarHBondContact O-CG 3.38Å; T381-L385 PolarHBondContact O-N 2.82Å; T382-L385 PolarHBondContact O-N 2.99Å; T382-L385 VanDerWaalsContact O-N 3.14Å; L385-N387 PolarHBondContact O-N 3.31Å; L385-H388 PolarHBondContact O-N 3.46Å; L385-T389 WeakPolarHBondContact O-CB 3.46Å; L385-T389 VanDerWaalsContact O-CG2 3.31Å; L385-T389 WeakPolarHBondContact O-CG2 3.02Å; L385-T389 PolarHBondContact O-N 3.03Å; L385-T389 PolarHBondContact O-OG1 3Å
386	D	72.2	Confident	61.6	Low	95 Å²	95	98.5 Å²	98.5	51%	0.508	50%	0.497	S	S	.	.	H	α-helix	trans	-66.3	-35.3	177.7	-74.3	-13.2	0	0	0	112	T382 T389	T382-D386 WeakPolarHBondContact O-CB 3.26Å; T382-D386 PolarHBondContact O-N 3.14Å; D386-T389 PolarHBondContact O-OG1 3.34Å
387	N	59.8	Low	58.8	Low	107 Å²	107	103.5 Å²	103.5	57%	0.572	52%	0.522	S	S	*	.	H	α-helix	trans	-79.5	-28.8	173.4	-84.6	-26.5	0	0	0	113.5	F369 L383 I384 L385	F369-N387 WeakPolarHBondContact CE1-ND2 3.15Å; F369-N387 HydrophobicContact CZ-CB 4.22Å; L383-N387 WeakPolarHBondContact O-CB 3.03Å; L383-N387 PolarHBondContact O-N 3.2Å; L383-N387 VanDerWaalsContact O-N 3.15Å; I384-N387 PolarHBondContact O-N 2.73Å; L385-N387 PolarHBondContact O-N 3.31Å
388	H	54.8	Low	56	Low	91 Å²	91	111.7 Å²	111.7	42%	0.421	56%	0.559	S	S	.	*	H	α-helix	trans	-82.7	-13.9	179.5	-87.6	-94.6	0	0	0	114.2	I384 L385 S390	I384-H388 VanDerWaalsContact O-CB 3.28Å; I384-H388 WeakPolarHBondContact O-CB 3.37Å; I384-H388 PolarHBondContact O-CD2 3.45Å; I384-H388 VanDerWaalsContact O-CD2 3.23Å; I384-H388 PolarHBondContact O-N 3.11Å; L385-H388 PolarHBondContact O-N 3.46Å; H388-S390 PolarHBondContact O-N 3.07Å
389	T	40.3	Very low	53.4	Low	103 Å²	103	117.2 Å²	117.2	63%	0.632	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	13.9	177.9	42.3	0	0	0	0	114.3	L385 D386	L385-T389 WeakPolarHBondContact O-CB 3.46Å; L385-T389 VanDerWaalsContact O-CG2 3.31Å; L385-T389 WeakPolarHBondContact O-CG2 3.02Å; L385-T389 PolarHBondContact O-N 3.03Å; L385-T389 PolarHBondContact O-OG1 3Å; D386-T389 PolarHBondContact O-OG1 3.34Å
390	S	30.3	Very low	50.7	Low	96 Å²	96	119.5 Å²	119.5	67%	0.671	60%	0.597	S	S	*	*	S	Bend	trans	-146.1	121.7	169.3	-78.9	0	0	0	0	114	H388	H388-S390 PolarHBondContact O-N 3.07Å
391	E	29.4	Very low	47.9	Very low	149 Å²	149	124 Å²	124	70%	0.696	63%	0.626	S	S	*	*	S	Bend	trans	49.7	75	170.3	-61	-157.7	134.9	0	0	118.3	K162	K162-E391 IonicContact NZ-OE1 2.74Å; K162-E391 PolarHBondContact NZ-OE1 2.84Å; K162-E391 IonicContact NZ-OE2 3.25Å
392	R	30.3	Very low	45.1	Very low	232 Å²	232	129.6 Å²	129.6	88%	0.875	66%	0.655	S	S	*	*			trans	-157.8	-23.1	146	-116.2	159	-157.2	-157.7	3.9	120	N394	R392-N394 VanDerWaalsContact C-N 3.29Å; R392-N394 PolarHBondContact O-N 3.49Å
393	I	29.6	Very low	42.5	Very low	148 Å²	148	134.3 Å²	134.3	76%	0.759	68%	0.677	S	S	*	*	S	Bend	trans	-87.7	64.6	-178.3	-47.2	-179.1	0	0	0	111.1
394	N	27.5	Very low	39.9	Very low	159 Å²	159	138.1 Å²	138.1	85%	0.85	70%	0.701	S	S	*	*	S	Bend	trans	-160.1	46.9	167.4	-117.9	-28.2	0	0	0	112.6	R392	R392-N394 VanDerWaalsContact C-N 3.29Å; R392-N394 PolarHBondContact O-N 3.49Å
395	Q	29.8	Very low	37.1	Very low	183 Å²	183	146.1 Å²	146.1	86%	0.855	74%	0.739	S	S	*	*	S	Bend	trans	-165	138.7	166.1	-109.3	157	45.1	0	0	109.4
396	K	30.2	Very low	34.6	Very low	199 Å²	199	147.9 Å²	147.9	87%	0.865	75%	0.749	S	S	*	*	S	Bend	trans	68.3	79	-174.3	-51.7	177.8	-178.4	179.1	0	115.5
397	I	28.6	Very low	32.5	Very low	178 Å²	178	150.2 Å²	150.2	91%	0.913	76%	0.761	S	S	*	*				-156.9	81.9	117.4	-87	142.7	0	0	0	105.9
398	E	29.1	Very low	30.9	Very low	192 Å²	192	151.7 Å²	151.7	90%	0.897	77%	0.769	S	S	*	*			trans	-157.5	64.7	157.8	-140.7	171	-143.2	0	0	108.3
399	Q	32.5	Very low	29.5	Very low	191 Å²	191	157.7 Å²	157.7	89%	0.893	79%	0.794	S	S	*	*			trans	-100	94	166.4	-78	-171.2	-23.6	0	0	108
400	N	29.5	Very low	28.8	Very low	162 Å²	162	158.7 Å²	158.7	87%	0.866	79%	0.794	S	S	*	*			trans	-123.3	104.1	160.4	-124.5	-14.4	0	0	0	107.3
401	P	30.8	Very low	28.6	Very low	95 Å²	95	158.7 Å²	158.7	62%	0.617	79%	0.794	S	S	*	*			trans	-87.3	170.7	-173.6	34.7	-35.2	0	0	0	112.6
402	N	29.2	Very low	28.5	Very low	145 Å²	145	160.4 Å²	160.4	78%	0.775	80%	0.799	S	S	*	*			trans	100.6	144.8	161.7	-52.4	-51.5	0	0	0	117.2
403	L	29	Very low	28.4	Very low	163 Å²	163	154.7 Å²	154.7	85%	0.853	79%	0.794	S	S	*	*			trans	66.6	122.7	170.2	-57.9	165.8	0	0	0	115.3
404	V	26.7	Very low	28.2	Very low	120 Å²	120	153.6 Å²	153.6	73%	0.727	80%	0.795	S	S	*	*			cis	141.8	155.9	0.8	145.8	0	0	0	0	104.9
405	E	29.1	Very low	28.3	Very low	170 Å²	170	152.5 Å²	152.5	79%	0.794	79%	0.794	S	S	*	*			trans	70.5	150.1	-175.4	-69.5	-176.7	172.4	0	0	116
406	N	27.1	Very low	28.1	Very low	127 Å²	127	148 Å²	148	68%	0.679	78%	0.782	S	S	*	*			cis	-170.8	175.5	-41.2	-113.9	-24.3	0	0	0	107.1
407	N	29.6	Very low	28.1	Very low	144 Å²	144	147.1 Å²	147.1	77%	0.77	78%	0.781	S	S	*	*			trans	69	93.6	170.4	-46.3	-50.2	0	0	0	114.1
408	L	24.7	Very low	27.9	Very low	139 Å²	139	143.9 Å²	143.9	73%	0.728	77%	0.77	S	S	*	*				61.1	104.9	56.6	-160.9	106.8	0	0	0	113.2	L410	L408-L410 HydrophobicContact CD1-CD1 3.94Å; L408-L410 HydrophobicContact CD2-CD1 4.4Å; L408-L410 HydrophobicContact CG-CD1 4.11Å
409	F	27.1	Very low	27.9	Very low	216 Å²	216	139.5 Å²	139.5	95%	0.947	76%	0.76	S	S	*	*			trans	-133.2	110.4	148.8	-117.4	-80.7	0	0	0	110.9
410	L	24.5	Very low	27.9	Very low	124 Å²	124	138 Å²	138	65%	0.649	75%	0.753	S	S	*	*			trans	-78.4	149.7	174	-112.4	70.2	0	0	0	110.6	L408	L408-L410 HydrophobicContact CD1-CD1 3.94Å; L408-L410 HydrophobicContact CD2-CD1 4.4Å; L408-L410 HydrophobicContact CG-CD1 4.11Å
411	C	26.2	Very low	28.1	Very low	97 Å²	97	137.8 Å²	137.8	66%	0.655	75%	0.747	S	S	*	*				-176.1	117.3	111.3	-97.7	0	0	0	0	114.6
412	K	26.8	Very low	28.4	Very low	185 Å²	185	138.5 Å²	138.5	80%	0.804	75%	0.751	S	S	*	*			trans	64.5	137.6	138.7	-55.1	171.3	-173.8	174.3	0	117.2
413	S	29.2	Very low	28.5	Very low	112 Å²	112	136.9 Å²	136.9	78%	0.783	75%	0.751	S	S	*	*			cis	-143.2	156.7	34.3	-59.5	0	0	0	0	114.9
414	T	25.7	Very low	28.7	Very low	125 Å²	125	134.3 Å²	134.3	77%	0.767	74%	0.743	S	S	*	*			trans	-52.1	161.1	160.7	45.5	0	0	0	0	112.3
415	V	28.7	Very low	29	Very low	136 Å²	136	137 Å²	137	82%	0.824	75%	0.747	S	S	*	*				-146.5	154.7	53.6	171.1	0	0	0	0	113.5
416	S	25.6	Very low	29.3	Very low	87 Å²	87	134.1 Å²	134.1	61%	0.608	74%	0.741	S	S	*	*			trans	-119.3	145.7	-177.1	53.4	0	0	0	0	113.2
417	Q	30.3	Very low	29.6	Very low	181 Å²	181	133.4 Å²	133.4	85%	0.846	74%	0.741	S	S	*	*			trans	-175	128.6	147.5	-99.8	151.9	21	0	0	107.5
418	T	25.4	Very low	29.8	Very low	111 Å²	111	135.3 Å²	135.3	68%	0.681	75%	0.746	S	S	*	*			cis	83.4	130.9	22.4	75.9	0	0	0	0	116.9
419	S	27.5	Very low	30.3	Very low	99 Å²	99	133.2 Å²	133.2	69%	0.692	75%	0.748	S	S	*	*			trans	68.8	154.8	163.2	76.1	0	0	0	0	117
420	E	32.4	Very low	30.7	Very low	161 Å²	161	127.1 Å²	127.1	75%	0.752	74%	0.738	S	S	*	*			cis	-171.3	-177.1	-23.5	-109.5	157.6	-105.6	0	0	107.8
421	H	33.8	Very low	31.4	Very low	157 Å²	157	129.5 Å²	129.5	73%	0.727	75%	0.75	S	S	*	*			cis	-151.7	158.9	10.9	-152.6	81.1	0	0	0	109.2
422	P	36.8	Very low	31.7	Very low	109 Å²	109	132 Å²	132	71%	0.708	76%	0.757	S	S	*	*			trans	-102.5	179.4	-176.2	40.6	-36.2	0	0	0	114.9
423	S	32.5	Very low	32.4	Very low	112 Å²	112	128.3 Å²	128.3	78%	0.783	75%	0.752	S	S	*	*			trans	-168.8	147.5	168.8	55.6	0	0	0	0	111.8
424	T	32.8	Very low	32.8	Very low	109 Å²	109	127.5 Å²	127.5	67%	0.669	75%	0.752	S	S	*	*			cis	-175	127.7	-5.8	-93.7	0	0	0	0	110.6
425	E	33.9	Very low	33.6	Very low	176 Å²	176	127.2 Å²	127.2	82%	0.822	75%	0.752	S	S	*	*			trans	63.8	160	147.1	-66.7	177.2	-178.3	0	0	120.7
426	V	34.9	Very low	33.9	Very low	109 Å²	109	129 Å²	129	66%	0.661	76%	0.757	S	S	*	*			cis	-164.9	171.7	-4.3	119.8	0	0	0	0	112.8
427	T	34	Very low	34.2	Very low	113 Å²	113	129.7 Å²	129.7	69%	0.693	76%	0.761	S	S	*	*			trans	69.8	145.2	164.9	44	0	0	0	0	119.4
428	E	33.5	Very low	34.6	Very low	184 Å²	184	126.6 Å²	126.6	86%	0.86	76%	0.757	S	S	*	*			cis	-155.8	-178.5	-5.6	-130.5	171.2	177.8	0	0	114.6
429	A	34.9	Very low	35.1	Very low	95 Å²	95	125.6 Å²	125.6	79%	0.785	76%	0.76	S	S	*	*			trans	-59.8	175.7	-176.9	0	0	0	0	0	118.5
430	A	35.2	Very low	35.1	Very low	87 Å²	87	127.3 Å²	127.3	72%	0.719	77%	0.766	S	S	*	*			cis	-178.4	177.5	-26.8	0	0	0	0	0	111.1
431	L	38.9	Very low	34.9	Very low	175 Å²	175	126 Å²	126	92%	0.916	77%	0.773	S	S	*	*			trans	89.7	137	156.6	-68.8	159.4	0	0	0	123.1
432	D	33.4	Very low	34.8	Very low	149 Å²	149	122.7 Å²	122.7	80%	0.797	77%	0.773	S	S	*	*			trans	-77.1	-171.2	178.1	-86.9	-52.6	0	0	0	116.1
433	P	41.4	Very low	34.8	Very low	107 Å²	107	123.4 Å²	123.4	70%	0.695	78%	0.778	S	S	*	*			cis	-144.8	161.1	-42	39.8	-22.3	0	0	0	117.4
434	A	36.4	Very low	34.8	Very low	96 Å²	96	122.7 Å²	122.7	79%	0.793	77%	0.773	S	S	*	*			trans	59	-169.6	136.8	0	0	0	0	0	121.7
435	P	43.9	Very low	34.7	Very low	118 Å²	118	127.8 Å²	127.8	77%	0.766	79%	0.786	S	S	*	*				-137.7	-172.9	-123.6	38.8	-14.8	0	0	0	117.5
436	L	34.5	Very low	34.6	Very low	175 Å²	175	124.3 Å²	124.3	92%	0.916	78%	0.781	S	S	*	*			trans	-178.7	169.8	146.3	-102.5	164.3	0	0	0	114.8
437	S	32.5	Very low	34.2	Very low	101 Å²	101	126.7 Å²	126.7	71%	0.706	79%	0.79	S	S	*	*			trans	-127.1	175.2	179.4	65	0	0	0	0	112
438	P	38.9	Very low	34.1	Very low	115 Å²	115	128.4 Å²	128.4	75%	0.747	80%	0.8	S	S	*	*				-164.6	177.9	88.9	44.3	-23	0	0	0	119.3
439	A	34.2	Very low	33.9	Very low	91 Å²	91	124.3 Å²	124.3	75%	0.752	79%	0.792	S	S	*	*			trans	48.7	163.3	138.8	0	0	0	0	0	124.3
440	T	28.8	Very low	33.8	Very low	135 Å²	135	128.5 Å²	128.5	83%	0.828	80%	0.796	S	S	*	*			cis	-177.1	146.9	-28.5	-78.8	0	0	0	0	108.4
441	C	28.5	Very low	33.7	Very low	133 Å²	133	131.4 Å²	131.4	90%	0.899	80%	0.799	S	S	*	*			trans	-162.4	153.1	160.7	-130.4	0	0	0	0	115.5
442	A	31.7	Very low	33.4	Very low	88 Å²	88	129.5 Å²	129.5	73%	0.727	79%	0.79	S	S	*	*			trans	-147.6	164.1	175.6	0	0	0	0	0	110.5
443	P	36.8	Very low	33.3	Very low	123 Å²	123	127.3 Å²	127.3	80%	0.799	78%	0.782	S	S	*	*				-159	-163.2	107.2	38.9	-18.2	0	0	0	114.4
444	S	30.6	Very low	32.8	Very low	98 Å²	98	128.2 Å²	128.2	69%	0.685	79%	0.786	S	S	*	*				-176.2	135.8	-61.1	67.6	0	0	0	0	110.8
445	F	31.2	Very low	32.6	Very low	216 Å²	216	130.2 Å²	130.2	95%	0.947	78%	0.783	S	S	*	*			trans	-176.3	165.2	166.3	-88.5	-46.6	0	0	0	109.2
446	S	31.5	Very low	32	Very low	102 Å²	102	131 Å²	131	71%	0.713	78%	0.78	S	S	*	*			cis	-164.7	173.3	-12.9	47.5	0	0	0	0	110
447	N	27.1	Very low	31.9	Very low	159 Å²	159	127 Å²	127	85%	0.85	77%	0.767	S	S	*	*			trans	-115.5	163.5	-173.8	-56.1	-13.5	0	0	0	114.5
448	V	32.1	Very low	31.8	Very low	149 Å²	149	130.7 Å²	130.7	90%	0.903	77%	0.773	S	S	*	*				-178.1	162.5	129.3	146.3	0	0	0	0	110
449	S	29.4	Very low	31.2	Very low	99 Å²	99	130.3 Å²	130.3	69%	0.692	77%	0.768	S	S	*	*			trans	-141.6	-164.6	-167.2	54.5	0	0	0	0	113.2
450	E	33.3	Very low	30.8	Very low	183 Å²	183	131.6 Å²	131.6	86%	0.855	77%	0.767	S	S	*	*			trans	88	157.9	178.6	-55.5	170.5	-172.4	0	0	116.2
451	D	31.8	Very low	30.6	Very low	148 Å²	148	132.3 Å²	132.3	79%	0.791	77%	0.765	S	S	*	*				-162.7	-172	-56.1	-139.6	-40.7	0	0	0	109.8
452	D	33	Very low	30.4	Very low	135 Å²	135	130.5 Å²	130.5	72%	0.722	75%	0.754	S	S	*	*			trans	71.6	162.4	162.8	-85.1	-35.9	0	0	0	120.8
453	T	31.9	Very low	30.2	Very low	102 Å²	102	132.1 Å²	132.1	63%	0.626	76%	0.76	S	S	*	*				-164.5	155.1	-67.3	34.2	0	0	0	0	111.6
454	T	31.6	Very low	29.6	Very low	127 Å²	127	132.7 Å²	132.7	78%	0.779	76%	0.761	S	S	*	*			trans	62.6	166.2	166.1	68.2	0	0	0	0	116.8
455	N	31.4	Very low	29.5	Very low	138 Å²	138	137.7 Å²	137.7	74%	0.738	77%	0.77	S	S	*	*			cis	-163.7	173.4	-3	-121.5	-20.3	0	0	0	107.1
456	L	32.1	Very low	29.1	Very low	135 Å²	135	136 Å²	136	71%	0.707	77%	0.765	S	S	*	*			cis	-166.4	166.8	-9.1	-176.8	57.8	0	0	0	108.4
457	S	30.9	Very low	28.8	Very low	90 Å²	90	136.1 Å²	136.1	63%	0.629	77%	0.766	S	S	*	*			trans	68.8	129.1	155.8	36	0	0	0	0	119.8
458	Q	30.3	Very low	28.8	Very low	179 Å²	179	137.5 Å²	137.5	84%	0.836	77%	0.767	S	S	*	*				85.2	135.9	53.1	-82.2	-177.8	-4.4	0	0	114.1
459	T	27	Very low	28.4	Very low	107 Å²	107	134.9 Å²	134.9	66%	0.656	76%	0.756	S	S	*	*			cis	-161.4	152.5	-9.7	-12	0	0	0	0	113.1
460	T	25.2	Very low	28.3	Very low	118 Å²	118	138 Å²	138	72%	0.724	76%	0.759	S	S	*	*			trans	53.4	141.4	145.8	49	0	0	0	0	125.8
461	L	24.8	Very low	28	Very low	149 Å²	149	134.6 Å²	134.6	78%	0.78	75%	0.747	S	S	*	*			trans	91.6	104.7	137.3	-106.3	74.3	0	0	0	122.2
462	S	24.4	Very low	27.9	Very low	96 Å²	96	135.9 Å²	135.9	67%	0.671	75%	0.749	S	S	*	*				39.2	123.4	129.2	66.4	0	0	0	0	121.4
463	S	28.2	Very low	27.6	Very low	121 Å²	121	136.2 Å²	136.2	85%	0.846	75%	0.749	S	S	*	*				-178.3	164.3	94.5	44.4	0	0	0	0	112.7
464	V	24.5	Very low	27.3	Very low	136 Å²	136	136.6 Å²	136.6	82%	0.824	75%	0.747	S	S	*	*			trans	-70.8	132.8	-179.3	175.2	0	0	0	0	111.7
465	K	28.2	Very low	27	Very low	202 Å²	202	140 Å²	140	88%	0.878	75%	0.746	S	S	*	*			trans	-162.8	141.7	144.4	-110.5	158.6	-170.8	176.8	0	112.4
466	E	22.5	Very low	26.8	Very low	181 Å²	181	139.9 Å²	139.9	85%	0.846	75%	0.75	S	S	*	*			trans	-82.6	172.7	172.4	-62.3	169	107.9	0	0	111.9
467	S	25.1	Very low	26.4	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	76%	0.761	S	S	*	*			trans	101.6	117.9	158.6	80.8	0	0	0	0	117.6
468	Q	26.8	Very low	26.2	Very low	187 Å²	187	143.1 Å²	143.1	87%	0.874	76%	0.757	S	S	*	*			trans	39.2	135.9	132	-50.9	-175.3	-0.7	0	0	118
469	S	23.9	Very low	26.3	Very low	95 Å²	95	143.9 Å²	143.9	66%	0.664	76%	0.761	S	S	*	*			cis	-171.3	-174	38.9	46.6	0	0	0	0	112
470	E	27.5	Very low	26.7	Very low	163 Å²	163	145.8 Å²	145.8	76%	0.762	76%	0.762	S	S	*	*			trans	75.8	146.5	158	-67.5	-166.8	-155.4	0	0	118.1
471	N	26.7	Very low	27.6	Very low	112 Å²	112	148.9 Å²	148.9	60%	0.599	77%	0.768	S	S	*	*			cis	-156.7	-179.1	-7.9	-129.4	-39.5	0	0	0	112.6
472	Q	30.5	Very low	28.7	Very low	176 Å²	176	143.7 Å²	143.7	82%	0.822	75%	0.751	S	S	*	*			trans	76.1	116.5	176.9	-53.8	-177.4	0.7	0	0	114.3
473	I	26.1	Very low	30.2	Very low	142 Å²	142	141.4 Å²	141.4	73%	0.728	73%	0.73	S	S	*	*			cis	77.6	89.7	38.6	-49.4	161.8	0	0	0	113
474	D	26.5	Very low	31.5	Very low	110 Å²	110	143.6 Å²	143.6	59%	0.588	72%	0.72	S	S	*	*				-165.3	147.4	113.7	-122.8	-24.9	0	0	0	115.3
475	R	25.7	Very low	33.5	Very low	199 Å²	199	138.7 Å²	138.7	75%	0.751	69%	0.688	S	S	*	*			trans	28.2	96.1	151.6	-69.9	161.4	-119.7	179.8	6.4	120.2
476	T	27.2	Very low	35.5	Very low	135 Å²	135	132 Å²	132	83%	0.828	67%	0.666	S	S	*	*				179.4	155.8	101.9	28.7	0	0	0	0	111	S478	T476-S478 PolarHBondContact O-N 3.18Å
477	F	22.7	Very low	37.7	Very low	213 Å²	213	126.4 Å²	126.4	93%	0.934	64%	0.637	S	S	*	*			trans	-77.2	85.6	175.5	-95.8	-93	0	0	0	110.5
478	S	27.1	Very low	39.8	Very low	79 Å²	79	124.6 Å²	124.6	55%	0.552	62%	0.624	S	S	*	*			trans	-72.9	122.6	169.8	53.7	0	0	0	0	110.4	T476 Q480	T476-S478 PolarHBondContact O-N 3.18Å; S478-Q480 PolarHBondContact O-N 3.05Å
479	H	31.9	Very low	42	Very low	196 Å²	196	120.1 Å²	120.1	91%	0.907	60%	0.602	S	S	*	*			trans	-72.8	75.5	174	-80.4	-90.3	0	0	0	110.7
480	Q	36.6	Very low	44.3	Very low	147 Å²	147	118.5 Å²	118.5	69%	0.687	59%	0.586	S	S	*	*			trans	-120.9	57.4	-176.3	-73.5	-174.6	-25.4	0	0	112.9	S478	S478-Q480 PolarHBondContact O-N 3.05Å
481	H	43.7	Very low	46.5	Very low	182 Å²	182	113.1 Å²	113.1	84%	0.843	56%	0.561	S	S	*	*			trans	-118.7	42.3	159.8	-74.4	-2.7	0	0	0	110.5
482	G	47.4	Very low	48.6	Very low	41 Å²	41	111.1 Å²	111.1	42%	0.423	55%	0.553	S	S	.	*			trans	-74.8	148.3	167	0	0	0	0	0	111	R484	G482-R484 PolarHBondContact O-N 3.46Å
483	I	55.1	Low	50.5	Low	47 Å²	47	104 Å²	104	24%	0.241	52%	0.524	C	S	.	.			trans	-64.4	119.9	166.3	-57.3	167.4	0	0	0	107.5	F485 W521 I528 I531	I483-F485 HydrophobicContact CB-CE1 4.48Å; I483-F485 HydrophobicContact CG2-CD1 3.64Å; I483-F485 HydrophobicContact CG2-CE1 3.48Å; I483-F485 VanDerWaalsContact CG2-CE1 3.48Å; I483-F485 HydrophobicContact CG2-CG 4.33Å; I483-F485 HydrophobicContact CG2-CZ 4.07Å; I483-W521 WeakPolarHBondContact O-CZ3 3.35Å; I483-I528 HydrophobicContact CD1-CB 4.45Å; I483-I528 HydrophobicContact CD1-CG1 3.64Å; I483-I528 HydrophobicContact CG1-CD1 4.49Å; I483-I528 HydrophobicContact CG1-CG1 3.71Å; I483-I531 HydrophobicContact CD1-CD1 3.92Å
484	R	57.2	Low	52.6	Low	167 Å²	167	98.4 Å²	98.4	63%	0.63	49%	0.494	S	S	*	.			trans	-87.6	108.5	164.5	-76.4	-178	167.7	-118	-13.6	108.5	G482 D519	G482-R484 PolarHBondContact O-N 3.46Å; R484-D519 IonicContact CZ-OD1 3.74Å; R484-D519 IonicContact NH1-OD1 3.86Å; R484-D519 PolarHBondContact NH1-OD1 3.47Å; R484-D519 IonicContact NH2-OD1 3.11Å; R484-D519 PolarHBondContact NH2-OD1 2.86Å
485	F	65.4	Low	54.6	Low	34 Å²	34	98.9 Å²	98.9	15%	0.149	49%	0.493	C	S	.	.			trans	-76.1	140.6	168	-66	-46.9	0	0	0	109.9	I483 F489 L490 I518 W521 I531	I483-F485 HydrophobicContact CB-CE1 4.48Å; I483-F485 HydrophobicContact CG2-CD1 3.64Å; I483-F485 HydrophobicContact CG2-CE1 3.48Å; I483-F485 VanDerWaalsContact CG2-CE1 3.48Å; I483-F485 HydrophobicContact CG2-CG 4.33Å; I483-F485 HydrophobicContact CG2-CZ 4.07Å; F485-F489 HydrophobicContact CB-CB 4.23Å; F485-F489 HydrophobicContact CB-CD1 3.68Å; F485-F489 HydrophobicContact CB-CE1 4.47Å; F485-F489 HydrophobicContact CB-CG 4.2Å; F485-F489 AromaticContact CD1-CD1 3.22Å; F485-F489 HydrophobicContact CD1-CD1 3.22Å; F485-F489 HydrophobicContact CD1-CD2 4.22Å; F485-F489 AromaticContact CD1-CE1 3.31Å; F485-F489 HydrophobicContact CD1-CE1 3.31Å; F485-F489 HydrophobicContact CD1-CE2 4.28Å; F485-F489 AromaticContact CD1-CG 3.72Å; F485-F489 HydrophobicContact CD1-CG 3.72Å; F485-F489 AromaticContact CD1-CZ 3.86Å; F485-F489 HydrophobicContact CD1-CZ 3.86Å; F485-F489 AromaticContact CD2-CD1 3.99Å; F485-F489 HydrophobicContact CD2-CD1 3.99Å; F485-F489 AromaticContact CD2-CE1 3.96Å; F485-F489 HydrophobicContact CD2-CE1 3.96Å; F485-F489 AromaticContact CE1-CD1 3.74Å; F485-F489 HydrophobicContact CE1-CD1 3.74Å; F485-F489 AromaticContact CE1-CE1 3.26Å; F485-F489 HydrophobicContact CE1-CE1 3.26Å; F485-F489 HydrophobicContact CE1-CE2 4.15Å; F485-F489 HydrophobicContact CE1-CG 4.36Å; F485-F489 AromaticContact CE1-CZ 3.5Å; F485-F489 HydrophobicContact CE1-CZ 3.5Å; F485-F489 HydrophobicContact CE2-CD1 4.4Å; F485-F489 AromaticContact CE2-CE1 3.9Å; F485-F489 HydrophobicContact CE2-CE1 3.9Å; F485-F489 AromaticContact CG-CD1 3.37Å; F485-F489 HydrophobicContact CG-CD1 3.37Å; F485-F489 AromaticContact CG-CE1 3.68Å; F485-F489 HydrophobicContact CG-CE1 3.68Å; F485-F489 HydrophobicContact CG-CG 4.14Å; F485-F489 HydrophobicContact CZ-CD1 4.3Å; F485-F489 AromaticContact CZ-CE1 3.58Å; F485-F489 HydrophobicContact CZ-CE1 3.58Å; F485-F489 AromaticContact CZ-CZ 3.99Å; F485-F489 HydrophobicContact CZ-CZ 3.99Å; F485-L490 HydrophobicContact CB-CG 4.19Å; F485-I518 WeakPolarHBondContact O-CG2 3.34Å; F485-W521 HydrophobicContact CD2-CE3 4.44Å; F485-W521 AromaticContact CD2-CH2 3.75Å; F485-W521 HydrophobicContact CD2-CH2 3.75Å; F485-W521 AromaticContact CD2-CZ3 3.67Å; F485-W521 HydrophobicContact CD2-CZ3 3.67Å; F485-W521 AromaticContact CE2-CH2 3.36Å; F485-W521 HydrophobicContact CE2-CH2 3.36Å; F485-W521 HydrophobicContact CE2-CZ2 4.25Å; F485-W521 AromaticContact CE2-CZ3 3.71Å; F485-W521 HydrophobicContact CE2-CZ3 3.71Å; F485-W521 HydrophobicContact CZ-CH2 4.36Å; F485-I531 HydrophobicContact CZ-CD1 4.3Å
486	S	69.6	Low	56.5	Low	60 Å²	60	94.9 Å²	94.9	42%	0.42	48%	0.483	S	S	.	.			trans	-72.5	159.7	169.1	58.8	0	0	0	0	110.2	S488 F489 L490	S486-S488 WeakPolarHBondContact CB-OG 3.44Å; S486-S488 PolarHBondContact O-N 3.3Å; S486-S488 PolarHBondContact OG-OG 3.4Å; S486-F489 PolarHBondContact O-N 3.09Å; S486-F489 WeakPolarHBondContact OG-CB 3.46Å; S486-F489 PolarHBondContact OG-N 2.89Å; S486-L490 PolarHBondContact O-N 3.45Å
487	R	69	Low	58.4	Low	64 Å²	64	93.8 Å²	93.8	24%	0.242	46%	0.464	C	S	.	.	H	α-helix	trans	-52.5	-42.5	168.6	-68.8	-173.5	165.9	107.6	-16.5	111.8	F489 L490 Q491 P510 I513 D515 I518	R487-F489 PolarHBondContact O-N 3.28Å; R487-L490 PolarHBondContact O-N 3.16Å; R487-Q491 WeakPolarHBondContact O-CB 3.47Å; R487-Q491 PolarHBondContact O-N 3.48Å; R487-P510 HydrophobicContact CB-CB 4.33Å; R487-P510 WeakPolarHBondContact CD-O 3.48Å; R487-P510 PolarHBondContact NE-O 3.06Å; R487-I513 HydrophobicContact CB-CD1 4.26Å; R487-I513 HydrophobicContact CG-CD1 4.25Å; R487-I513 PolarHBondContact NE-O 2.96Å; R487-I513 PolarHBondContact NH2-O 2.85Å; R487-D515 IonicContact CZ-OD1 2.73Å; R487-D515 VanDerWaalsContact CZ-OD1 3.27Å; R487-D515 IonicContact CZ-OD2 2.75Å; R487-D515 IonicContact NH1-OD1 3.62Å; R487-D515 PolarHBondContact NH1-OD1 3.43Å; R487-D515 IonicContact NH1-OD2 2.68Å; R487-D515 IonicContact NH2-OD1 2.8Å; R487-D515 PolarHBondContact NH2-OD1 3.5Å; R487-D515 IonicContact NH2-OD2 2.79Å; R487-D515 PolarHBondContact NH2-OD2 2.85Å; R487-I518 HydrophobicContact CG-CD1 3.37Å
488	S	69.2	Low	60.3	Low	67 Å²	67	84 Å²	84	47%	0.469	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-39	173.9	50.7	0	0	0	0	113.6	S486 Q491 T492	S486-S488 WeakPolarHBondContact CB-OG 3.44Å; S486-S488 PolarHBondContact O-N 3.3Å; S486-S488 PolarHBondContact OG-OG 3.4Å; S488-Q491 PolarHBondContact O-N 3.15Å; S488-T492 WeakPolarHBondContact O-CB 3.41Å; S488-T492 PolarHBondContact O-N 3.15Å; S488-T492 PolarHBondContact O-OG1 2.92Å; S488-T492 VanDerWaalsContact O-OG1 3.05Å
489	F	72.9	Confident	61.8	Low	94 Å²	94	89.5 Å²	89.5	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-66.5	-42	175	-179.4	-80.8	0	0	0	111.4	F485 S486 R487 Q491 T492 A493	F485-F489 HydrophobicContact CB-CB 4.23Å; F485-F489 HydrophobicContact CB-CD1 3.68Å; F485-F489 HydrophobicContact CB-CE1 4.47Å; F485-F489 HydrophobicContact CB-CG 4.2Å; F485-F489 AromaticContact CD1-CD1 3.22Å; F485-F489 HydrophobicContact CD1-CD1 3.22Å; F485-F489 HydrophobicContact CD1-CD2 4.22Å; F485-F489 AromaticContact CD1-CE1 3.31Å; F485-F489 HydrophobicContact CD1-CE1 3.31Å; F485-F489 HydrophobicContact CD1-CE2 4.28Å; F485-F489 AromaticContact CD1-CG 3.72Å; F485-F489 HydrophobicContact CD1-CG 3.72Å; F485-F489 AromaticContact CD1-CZ 3.86Å; F485-F489 HydrophobicContact CD1-CZ 3.86Å; F485-F489 AromaticContact CD2-CD1 3.99Å; F485-F489 HydrophobicContact CD2-CD1 3.99Å; F485-F489 AromaticContact CD2-CE1 3.96Å; F485-F489 HydrophobicContact CD2-CE1 3.96Å; F485-F489 AromaticContact CE1-CD1 3.74Å; F485-F489 HydrophobicContact CE1-CD1 3.74Å; F485-F489 AromaticContact CE1-CE1 3.26Å; F485-F489 HydrophobicContact CE1-CE1 3.26Å; F485-F489 HydrophobicContact CE1-CE2 4.15Å; F485-F489 HydrophobicContact CE1-CG 4.36Å; F485-F489 AromaticContact CE1-CZ 3.5Å; F485-F489 HydrophobicContact CE1-CZ 3.5Å; F485-F489 HydrophobicContact CE2-CD1 4.4Å; F485-F489 AromaticContact CE2-CE1 3.9Å; F485-F489 HydrophobicContact CE2-CE1 3.9Å; F485-F489 AromaticContact CG-CD1 3.37Å; F485-F489 HydrophobicContact CG-CD1 3.37Å; F485-F489 AromaticContact CG-CE1 3.68Å; F485-F489 HydrophobicContact CG-CE1 3.68Å; F485-F489 HydrophobicContact CG-CG 4.14Å; F485-F489 HydrophobicContact CZ-CD1 4.3Å; F485-F489 AromaticContact CZ-CE1 3.58Å; F485-F489 HydrophobicContact CZ-CE1 3.58Å; F485-F489 AromaticContact CZ-CZ 3.99Å; F485-F489 HydrophobicContact CZ-CZ 3.99Å; S486-F489 PolarHBondContact O-N 3.09Å; S486-F489 WeakPolarHBondContact OG-CB 3.46Å; S486-F489 PolarHBondContact OG-N 2.89Å; R487-F489 PolarHBondContact O-N 3.28Å; F489-Q491 VanDerWaalsContact C-N 3.32Å; F489-T492 PolarHBondContact O-N 2.93Å; F489-A493 HydrophobicContact CD1-CB 4.34Å; F489-A493 HydrophobicContact CE1-CB 4.02Å; F489-A493 WeakPolarHBondContact O-CB 3.45Å; F489-A493 PolarHBondContact O-N 3.33Å
490	L	72.9	Confident	62.9	Low	60 Å²	60	84.1 Å²	84.1	31%	0.314	42%	0.422	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176	-79.2	163.1	0	0	0	111.6	F485 S486 R487 H494 I508 I513 I518	F485-L490 HydrophobicContact CB-CG 4.19Å; S486-L490 PolarHBondContact O-N 3.45Å; R487-L490 PolarHBondContact O-N 3.16Å; L490-H494 VanDerWaalsContact O-CB 3.29Å; L490-H494 WeakPolarHBondContact O-CB 3.49Å; L490-H494 PolarHBondContact O-N 3.44Å; L490-I508 HydrophobicContact CB-CG2 3.93Å; L490-I513 HydrophobicContact CB-CD1 4.09Å; L490-I513 HydrophobicContact CD1-CD1 4.3Å; L490-I518 HydrophobicContact CD1-CG1 4.41Å
491	Q	72.9	Confident	63.6	Low	51 Å²	51	84.5 Å²	84.5	24%	0.238	42%	0.421	C	S	.	.	H	α-helix	trans	-61.4	-55.4	173.4	-167.4	-170.1	-25.3	0	0	111	R487 S488 F489 A493 H494 E495 I508	R487-Q491 WeakPolarHBondContact O-CB 3.47Å; R487-Q491 PolarHBondContact O-N 3.48Å; S488-Q491 PolarHBondContact O-N 3.15Å; F489-Q491 VanDerWaalsContact C-N 3.32Å; Q491-A493 PolarHBondContact O-N 2.73Å; Q491-H494 CarbonylContact O-C 3.59Å; Q491-H494 WeakPolarHBondContact O-CA 3.48Å; Q491-H494 WeakPolarHBondContact O-CB 3.38Å; Q491-H494 PolarHBondContact O-N 3.22Å; Q491-H494 VanDerWaalsContact O-N 3.09Å; Q491-E495 WeakPolarHBondContact CG-OE1 3.37Å; Q491-E495 PolarHBondContact NE2-OE1 3.45Å; Q491-E495 WeakPolarHBondContact O-CG 3.35Å; Q491-E495 PolarHBondContact O-N 2.98Å; Q491-I508 VanDerWaalsContact CB-O 3.31Å; Q491-I508 WeakPolarHBondContact CB-O 3.25Å; Q491-I508 WeakPolarHBondContact CG-O 3.41Å
492	T	70.8	Confident	64	Low	70 Å²	70	79.1 Å²	79.1	43%	0.429	42%	0.416	S	S	.	.	H	α-helix	trans	-63.7	-38.4	-178.8	-58.1	0	0	0	0	112.4	S488 F489 H494 E495 E496	S488-T492 WeakPolarHBondContact O-CB 3.41Å; S488-T492 PolarHBondContact O-N 3.15Å; S488-T492 PolarHBondContact O-OG1 2.92Å; S488-T492 VanDerWaalsContact O-OG1 3.05Å; F489-T492 PolarHBondContact O-N 2.93Å; T492-H494 VanDerWaalsContact C-N 3.31Å; T492-H494 PolarHBondContact O-N 2.85Å; T492-E495 PolarHBondContact O-N 3.1Å; T492-E496 HydrophobicContact CG2-CG 4.49Å; T492-E496 WeakPolarHBondContact O-CB 3.45Å; T492-E496 PolarHBondContact O-N 3.15Å
493	A	70.8	Confident	64.2	Low	26 Å²	26	81.5 Å²	81.5	22%	0.215	42%	0.418	C	S	.	.	H	α-helix	trans	-69	-29.4	174.9	0	0	0	0	0	112.4	F489 Q491 Y497	F489-A493 HydrophobicContact CD1-CB 4.34Å; F489-A493 HydrophobicContact CE1-CB 4.02Å; F489-A493 WeakPolarHBondContact O-CB 3.45Å; F489-A493 PolarHBondContact O-N 3.33Å; Q491-A493 PolarHBondContact O-N 2.73Å; A493-Y497 HydrophobicContact CB-CD2 4.23Å; A493-Y497 WeakPolarHBondContact O-CB 3.24Å; A493-Y497 VanDerWaalsContact O-CD2 3.23Å; A493-Y497 WeakPolarHBondContact O-CD2 3.34Å; A493-Y497 PolarHBondContact O-N 2.63Å
494	H	69.6	Low	64.1	Low	24 Å²	24	84 Å²	84	11%	0.111	44%	0.44	C	S	.	.	H	α-helix	trans	-71.8	-43.4	169.5	-179.3	-90.6	0	0	0	110.8	L490 Q491 T492 E496 A498 I506 I508	L490-H494 VanDerWaalsContact O-CB 3.29Å; L490-H494 WeakPolarHBondContact O-CB 3.49Å; L490-H494 PolarHBondContact O-N 3.44Å; Q491-H494 CarbonylContact O-C 3.59Å; Q491-H494 WeakPolarHBondContact O-CA 3.48Å; Q491-H494 WeakPolarHBondContact O-CB 3.38Å; Q491-H494 PolarHBondContact O-N 3.22Å; Q491-H494 VanDerWaalsContact O-N 3.09Å; T492-H494 VanDerWaalsContact C-N 3.31Å; T492-H494 PolarHBondContact O-N 2.85Å; H494-E496 PolarHBondContact O-N 3.37Å; H494-A498 WeakPolarHBondContact O-CA 3.12Å; H494-A498 WeakPolarHBondContact O-CB 3.25Å; H494-A498 PolarHBondContact O-N 3.22Å; H494-I506 PolarHBondContact CE1-N 2.79Å; H494-I506 VanDerWaalsContact CE1-N 3.26Å; H494-I506 PolarHBondContact CE1-O 3.12Å; H494-I506 VanDerWaalsContact CE1-O 3.32Å; H494-I506 PolarHBondContact NE2-N 3.4Å; H494-I508 HydrophobicContact CB-CB 4.4Å; H494-I508 HydrophobicContact CB-CD1 3.94Å; H494-I508 HydrophobicContact CB-CG1 4.43Å; H494-I508 VanDerWaalsContact CD2-CD1 3.43Å; H494-I508 WeakPolarHBondContact CD2-CD1 3.4Å
495	E	69.7	Low	63.9	Low	120 Å²	120	83.1 Å²	83.1	56%	0.561	45%	0.447	S	S	*	.	H	α-helix	trans	-62.3	-37.9	176.5	-69.6	163	165	0	0	112.7	Q491 T492	Q491-E495 WeakPolarHBondContact CG-OE1 3.37Å; Q491-E495 PolarHBondContact NE2-OE1 3.45Å; Q491-E495 WeakPolarHBondContact O-CG 3.35Å; Q491-E495 PolarHBondContact O-N 2.98Å; T492-E495 PolarHBondContact O-N 3.1Å
496	E	65.4	Low	63.6	Low	115 Å²	115	86 Å²	86	54%	0.537	46%	0.463	S	S	.	.	H	α-helix	trans	-76.4	-47.3	174.3	-73.7	-166.4	143.7	0	0	113.5	T492 H494	T492-E496 HydrophobicContact CG2-CG 4.49Å; T492-E496 WeakPolarHBondContact O-CB 3.45Å; T492-E496 PolarHBondContact O-N 3.15Å; H494-E496 PolarHBondContact O-N 3.37Å
497	Y	67.7	Low	63.2	Low	112 Å²	112	88.4 Å²	88.4	44%	0.439	47%	0.472	S	S	.	.	H	α-helix	trans	-110.9	-9.8	-164.5	-52.8	-74.8	0	0	0	115.4	A493 F499 S500 F501	A493-Y497 HydrophobicContact CB-CD2 4.23Å; A493-Y497 WeakPolarHBondContact O-CB 3.24Å; A493-Y497 VanDerWaalsContact O-CD2 3.23Å; A493-Y497 WeakPolarHBondContact O-CD2 3.34Å; A493-Y497 PolarHBondContact O-N 2.63Å; Y497-F499 VanDerWaalsContact C-N 3.28Å; Y497-F499 PolarHBondContact O-N 3.44Å; Y497-S500 PolarHBondContact O-N 2.9Å; Y497-S500 PolarHBondContact O-OG 2.92Å; Y497-S500 VanDerWaalsContact O-OG 3.13Å; Y497-F501 HydrophobicContact CG-CE2 4.42Å; Y497-F501 VanDerWaalsContact O-CD2 3.3Å; Y497-F501 WeakPolarHBondContact O-CD2 3.36Å; Y497-F501 PolarHBondContact O-N 3.22Å
498	A	61.4	Low	62.9	Low	7 Å²	7	87 Å²	87	6%	0.058	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-43.5	177.7	0	0	0	0	0	111.5	H494 S500 F501 G502 L503	H494-A498 WeakPolarHBondContact O-CA 3.12Å; H494-A498 WeakPolarHBondContact O-CB 3.25Å; H494-A498 PolarHBondContact O-N 3.22Å; A498-S500 PolarHBondContact O-N 3.5Å; A498-F501 PolarHBondContact O-N 3.05Å; A498-G502 PolarHBondContact O-N 2.78Å; A498-G502 VanDerWaalsContact O-N 3.09Å; A498-L503 HydrophobicContact CB-CB 3.87Å; A498-L503 PolarHBondContact O-N 2.86Å
499	F	58.5	Low	62.6	Low	195 Å²	195	85.4 Å²	85.4	86%	0.855	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-40.8	178.1	-172.7	-101.4	0	0	0	112.9	Y497	Y497-F499 VanDerWaalsContact C-N 3.28Å; Y497-F499 PolarHBondContact O-N 3.44Å
500	S	55.9	Low	62.1	Low	84 Å²	84	83.8 Å²	83.8	59%	0.587	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-24.1	-179.1	54.5	0	0	0	0	114	Y497 A498	Y497-S500 PolarHBondContact O-N 2.9Å; Y497-S500 PolarHBondContact O-OG 2.92Å; Y497-S500 VanDerWaalsContact O-OG 3.13Å; A498-S500 PolarHBondContact O-N 3.5Å
501	F	49.8	Very low	61.8	Low	154 Å²	154	88.4 Å²	88.4	68%	0.675	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	3.5	171	-72.2	-63	0	0	0	114.3	Y497 A498 L503	Y497-F501 HydrophobicContact CG-CE2 4.42Å; Y497-F501 VanDerWaalsContact O-CD2 3.3Å; Y497-F501 WeakPolarHBondContact O-CD2 3.36Å; Y497-F501 PolarHBondContact O-N 3.22Å; A498-F501 PolarHBondContact O-N 3.05Å; F501-L503 VanDerWaalsContact C-N 3.26Å; F501-L503 HydrophobicContact CB-CD1 4.2Å; F501-L503 HydrophobicContact CB-CG 4.09Å; F501-L503 PolarHBondContact O-N 3.2Å
502	G	53.1	Low	61.5	Low	70 Å²	70	87.9 Å²	87.9	72%	0.722	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	23.3	-179.1	0	0	0	0	0	114.1	A498	A498-G502 PolarHBondContact O-N 2.78Å; A498-G502 VanDerWaalsContact O-N 3.09Å
503	L	51.7	Low	61	Low	91 Å²	91	85.3 Å²	85.3	48%	0.476	47%	0.469	S	S	.	.			trans	-84.1	130.8	175.2	-58.8	173.5	0	0	0	109.5	A498 F501	A498-L503 HydrophobicContact CB-CB 3.87Å; A498-L503 PolarHBondContact O-N 2.86Å; F501-L503 VanDerWaalsContact C-N 3.26Å; F501-L503 HydrophobicContact CB-CD1 4.2Å; F501-L503 HydrophobicContact CB-CG 4.09Å; F501-L503 PolarHBondContact O-N 3.2Å
504	S	53.2	Low	61	Low	99 Å²	99	86.8 Å²	86.8	69%	0.692	48%	0.477	S	S	*	.			trans	-80	142.8	172.5	57.2	0	0	0	0	111.3	I506	S504-I506 WeakPolarHBondContact O-CG1 3.37Å; S504-I506 PolarHBondContact O-N 3Å
505	D	52.6	Low	60.7	Low	148 Å²	148	90.1 Å²	90.1	79%	0.791	50%	0.495	S	S	*	.			trans	-28.2	92.6	175	-57.7	-32.3	0	0	0	114.7
506	I	59.9	Low	60.5	Low	94 Å²	94	90.1 Å²	90.1	48%	0.482	49%	0.494	S	S	.	.			trans	-87.1	139.5	166.1	-50.8	179.3	0	0	0	107.6	H494 S504 I508	H494-I506 PolarHBondContact CE1-N 2.79Å; H494-I506 VanDerWaalsContact CE1-N 3.26Å; H494-I506 PolarHBondContact CE1-O 3.12Å; H494-I506 VanDerWaalsContact CE1-O 3.32Å; H494-I506 PolarHBondContact NE2-N 3.4Å; S504-I506 WeakPolarHBondContact O-CG1 3.37Å; S504-I506 PolarHBondContact O-N 3Å; I506-I508 HydrophobicContact CB-CD1 3.96Å; I506-I508 HydrophobicContact CB-CG1 3.76Å; I506-I508 HydrophobicContact CD1-CD1 4.41Å; I506-I508 HydrophobicContact CG2-CD1 3.97Å; I506-I508 HydrophobicContact CG2-CG1 3.62Å; I506-I508 PolarHBondContact O-N 3.45Å
507	D	60.7	Low	60.1	Low	112 Å²	112	88.8 Å²	88.8	60%	0.599	49%	0.489	S	S	*	.			trans	-71.5	99	166	-170.9	-9.4	0	0	0	109.3	S509 A512	D507-S509 WeakPolarHBondContact OD1-CB 3.27Å; D507-S509 PolarHBondContact OD1-N 3.36Å; D507-S509 PolarHBondContact OD1-OG 3.08Å; D507-A512 HydrophobicContact CB-CB 4.19Å; D507-A512 VanDerWaalsContact CG-CB 3.45Å; D507-A512 VanDerWaalsContact OD1-CB 3.26Å; D507-A512 WeakPolarHBondContact OD1-CB 3.47Å
508	I	62.2	Low	60.1	Low	35 Å²	35	84.8 Å²	84.8	18%	0.179	48%	0.475	C	S	.	.			trans	-111	29.1	176.1	-52.3	-158.4	0	0	0	108.9	L490 Q491 H494 I506 I513	L490-I508 HydrophobicContact CB-CG2 3.93Å; Q491-I508 VanDerWaalsContact CB-O 3.31Å; Q491-I508 WeakPolarHBondContact CB-O 3.25Å; Q491-I508 WeakPolarHBondContact CG-O 3.41Å; H494-I508 HydrophobicContact CB-CB 4.4Å; H494-I508 HydrophobicContact CB-CD1 3.94Å; H494-I508 HydrophobicContact CB-CG1 4.43Å; H494-I508 VanDerWaalsContact CD2-CD1 3.43Å; H494-I508 WeakPolarHBondContact CD2-CD1 3.4Å; I506-I508 HydrophobicContact CB-CD1 3.96Å; I506-I508 HydrophobicContact CB-CG1 3.76Å; I506-I508 HydrophobicContact CD1-CD1 4.41Å; I506-I508 HydrophobicContact CG2-CD1 3.97Å; I506-I508 HydrophobicContact CG2-CG1 3.62Å; I506-I508 PolarHBondContact O-N 3.45Å; I508-I513 HydrophobicContact CG2-CD1 3.51Å; I508-I513 HydrophobicContact CG2-CG1 4.12Å
509	S	62.6	Low	60.3	Low	33 Å²	33	88.7 Å²	88.7	23%	0.231	50%	0.495	C	S	.	.			trans	-64.2	162	175.5	64.1	0	0	0	0	112.3	D507 D511 A512	D507-S509 WeakPolarHBondContact OD1-CB 3.27Å; D507-S509 PolarHBondContact OD1-N 3.36Å; D507-S509 PolarHBondContact OD1-OG 3.08Å; S509-D511 PolarHBondContact O-N 3.36Å; S509-A512 PolarHBondContact O-N 3.34Å; S509-A512 VanDerWaalsContact O-N 3.07Å; S509-A512 VanDerWaalsContact OG-CB 3.22Å; S509-A512 WeakPolarHBondContact OG-CB 3.39Å; S509-A512 PolarHBondContact OG-N 2.85Å
510	P	63.3	Low	60.5	Low	59 Å²	59	86.4 Å²	86.4	38%	0.383	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.8	-176.8	-21.8	35.9	0	0	0	114.5	R487	R487-P510 HydrophobicContact CB-CB 4.33Å; R487-P510 WeakPolarHBondContact CD-O 3.48Å; R487-P510 PolarHBondContact NE-O 3.06Å
511	D	66.5	Low	60.8	Low	158 Å²	158	88.1 Å²	88.1	85%	0.845	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-15.1	178.1	-54.1	-57	0	0	0	112.4	S509	S509-D511 PolarHBondContact O-N 3.36Å
512	A	65.8	Low	61.4	Low	40 Å²	40	86.4 Å²	86.4	33%	0.331	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-13.6	-178.8	0	0	0	0	0	114.9	D507 S509 P514	D507-A512 HydrophobicContact CB-CB 4.19Å; D507-A512 VanDerWaalsContact CG-CB 3.45Å; D507-A512 VanDerWaalsContact OD1-CB 3.26Å; D507-A512 WeakPolarHBondContact OD1-CB 3.47Å; S509-A512 PolarHBondContact O-N 3.34Å; S509-A512 VanDerWaalsContact O-N 3.07Å; S509-A512 VanDerWaalsContact OG-CB 3.22Å; S509-A512 WeakPolarHBondContact OG-CB 3.39Å; S509-A512 PolarHBondContact OG-N 2.85Å; A512-P514 WeakPolarHBondContact O-CD 3.42Å
513	I	61.7	Low	61.8	Low	16 Å²	16	84.3 Å²	84.3	8%	0.082	46%	0.456	C	S	.	.	S	Bend	trans	-100.3	108.7	177.4	-45.6	168.8	0	0	0	109.6	R487 L490 I508 I517 I518	R487-I513 HydrophobicContact CB-CD1 4.26Å; R487-I513 HydrophobicContact CG-CD1 4.25Å; R487-I513 PolarHBondContact NE-O 2.96Å; R487-I513 PolarHBondContact NH2-O 2.85Å; L490-I513 HydrophobicContact CB-CD1 4.09Å; L490-I513 HydrophobicContact CD1-CD1 4.3Å; I508-I513 HydrophobicContact CG2-CD1 3.51Å; I508-I513 HydrophobicContact CG2-CG1 4.12Å; I513-I517 HydrophobicContact CG2-CB 4.24Å; I513-I517 HydrophobicContact CG2-CG2 4.41Å; I513-I518 HydrophobicContact CG2-CD1 3.94Å; I513-I518 HydrophobicContact CG2-CG1 3.83Å
514	P	68.9	Low	62.2	Low	57 Å²	57	87 Å²	87	37%	0.37	47%	0.467	S	S	.	.			trans	-60.6	143.4	171.1	-25.7	35	0	0	0	113.1	A512 F516 I517	A512-P514 WeakPolarHBondContact O-CD 3.42Å; P514-F516 HydrophobicContact CB-CD1 3.49Å; P514-F516 VanDerWaalsContact CB-CD1 3.49Å; P514-F516 HydrophobicContact CB-CE1 3.32Å; P514-F516 HydrophobicContact CB-CG 4.46Å; P514-F516 HydrophobicContact CB-CZ 4.19Å; P514-F516 HydrophobicContact CG-CE1 3.88Å; P514-F516 HydrophobicContact CG-CZ 4.45Å; P514-F516 PolarHBondContact O-N 3.42Å; P514-F516 VanDerWaalsContact O-N 3.16Å; P514-I517 HydrophobicContact CB-CG1 4.46Å; P514-I517 HydrophobicContact CG-CD1 4.34Å; P514-I517 PolarHBondContact O-N 2.89Å
515	D	64.4	Low	62.5	Low	93 Å²	93	88.2 Å²	88.2	50%	0.497	47%	0.472	S	S	.	.	H	α-helix	trans	-56.2	-37.2	-175.5	-59.1	-91.5	0	0	0	112.8	R487 I517 I518 D519	R487-D515 IonicContact CZ-OD1 2.73Å; R487-D515 VanDerWaalsContact CZ-OD1 3.27Å; R487-D515 IonicContact CZ-OD2 2.75Å; R487-D515 IonicContact NH1-OD1 3.62Å; R487-D515 PolarHBondContact NH1-OD1 3.43Å; R487-D515 IonicContact NH1-OD2 2.68Å; R487-D515 IonicContact NH2-OD1 2.8Å; R487-D515 PolarHBondContact NH2-OD1 3.5Å; R487-D515 IonicContact NH2-OD2 2.79Å; R487-D515 PolarHBondContact NH2-OD2 2.85Å; D515-I517 PolarHBondContact O-N 2.83Å; D515-I518 WeakPolarHBondContact O-CA 3.18Å; D515-I518 WeakPolarHBondContact O-CB 3.34Å; D515-I518 PolarHBondContact O-N 3.25Å; D515-D519 PolarHBondContact O-N 2.95Å
516	F	64.4	Low	63	Low	121 Å²	121	86 Å²	86	53%	0.531	46%	0.46	S	S	.	.	H	α-helix	trans	-58.6	-31.6	179.4	76.5	-97.8	0	0	0	113.3	P514 I518 D519 E520	P514-F516 HydrophobicContact CB-CD1 3.49Å; P514-F516 VanDerWaalsContact CB-CD1 3.49Å; P514-F516 HydrophobicContact CB-CE1 3.32Å; P514-F516 HydrophobicContact CB-CG 4.46Å; P514-F516 HydrophobicContact CB-CZ 4.19Å; P514-F516 HydrophobicContact CG-CE1 3.88Å; P514-F516 HydrophobicContact CG-CZ 4.45Å; P514-F516 PolarHBondContact O-N 3.42Å; P514-F516 VanDerWaalsContact O-N 3.16Å; F516-I518 PolarHBondContact O-N 3.12Å; F516-D519 PolarHBondContact O-N 2.92Å; F516-E520 VanDerWaalsContact O-CB 3.26Å; F516-E520 WeakPolarHBondContact O-CB 3.27Å; F516-E520 VanDerWaalsContact O-CG 3.29Å; F516-E520 WeakPolarHBondContact O-CG 3.39Å; F516-E520 PolarHBondContact O-N 3.04Å
517	I	58.8	Low	63.3	Low	87 Å²	87	84.1 Å²	84.1	45%	0.446	45%	0.451	S	S	.	.	H	α-helix	trans	-66.6	-28.1	177.7	-58.9	-171.6	0	0	0	111.1	I513 P514 D515 W521	I513-I517 HydrophobicContact CG2-CB 4.24Å; I513-I517 HydrophobicContact CG2-CG2 4.41Å; P514-I517 HydrophobicContact CB-CG1 4.46Å; P514-I517 HydrophobicContact CG-CD1 4.34Å; P514-I517 PolarHBondContact O-N 2.89Å; D515-I517 PolarHBondContact O-N 2.83Å; I517-W521 WeakPolarHBondContact O-CB 3.18Å
518	I	67.2	Low	63.4	Low	28 Å²	28	83.1 Å²	83.1	14%	0.144	44%	0.444	C	S	.	.	H	α-helix	trans	-89.7	-35.5	-178.6	-50.3	169.1	0	0	0	110.3	F485 R487 L490 I513 D515 F516	F485-I518 WeakPolarHBondContact O-CG2 3.34Å; R487-I518 HydrophobicContact CG-CD1 3.37Å; L490-I518 HydrophobicContact CD1-CG1 4.41Å; I513-I518 HydrophobicContact CG2-CD1 3.94Å; I513-I518 HydrophobicContact CG2-CG1 3.83Å; D515-I518 WeakPolarHBondContact O-CA 3.18Å; D515-I518 WeakPolarHBondContact O-CB 3.34Å; D515-I518 PolarHBondContact O-N 3.25Å; F516-I518 PolarHBondContact O-N 3.12Å
519	D	64.6	Low	63.6	Low	88 Å²	88	88.5 Å²	88.5	47%	0.471	47%	0.467	S	S	.	.	H	α-helix	trans	-72.8	-30.5	175.6	-79	-49.8	0	0	0	113.5	R484 D515 F516	R484-D519 IonicContact CZ-OD1 3.74Å; R484-D519 IonicContact NH1-OD1 3.86Å; R484-D519 PolarHBondContact NH1-OD1 3.47Å; R484-D519 IonicContact NH2-OD1 3.11Å; R484-D519 PolarHBondContact NH2-OD1 2.86Å; D515-D519 PolarHBondContact O-N 2.95Å; F516-D519 PolarHBondContact O-N 2.92Å
520	E	63.9	Low	63.9	Low	148 Å²	148	92.4 Å²	92.4	69%	0.692	48%	0.481	S	S	*	.	S	Bend	trans	-89.8	-11	179.4	-67.3	-177.1	160	0	0	114.3	F516	F516-E520 VanDerWaalsContact O-CB 3.26Å; F516-E520 WeakPolarHBondContact O-CB 3.27Å; F516-E520 VanDerWaalsContact O-CG 3.29Å; F516-E520 WeakPolarHBondContact O-CG 3.39Å; F516-E520 PolarHBondContact O-N 3.04Å
521	W	62.6	Low	64.1	Low	119 Å²	119	93.1 Å²	93.1	45%	0.451	48%	0.481	S	S	.	.			trans	-77.8	130.8	-176.2	-177.2	81.7	0	0	0	113.4	I483 F485 I517 P523 L527	I483-W521 WeakPolarHBondContact O-CZ3 3.35Å; F485-W521 HydrophobicContact CD2-CE3 4.44Å; F485-W521 AromaticContact CD2-CH2 3.75Å; F485-W521 HydrophobicContact CD2-CH2 3.75Å; F485-W521 AromaticContact CD2-CZ3 3.67Å; F485-W521 HydrophobicContact CD2-CZ3 3.67Å; F485-W521 AromaticContact CE2-CH2 3.36Å; F485-W521 HydrophobicContact CE2-CH2 3.36Å; F485-W521 HydrophobicContact CE2-CZ2 4.25Å; F485-W521 AromaticContact CE2-CZ3 3.71Å; F485-W521 HydrophobicContact CE2-CZ3 3.71Å; F485-W521 HydrophobicContact CZ-CH2 4.36Å; I517-W521 WeakPolarHBondContact O-CB 3.18Å; W521-P523 HydrophobicContact CH2-CB 3.56Å; W521-P523 HydrophobicContact CH2-CG 4.4Å; W521-P523 HydrophobicContact CZ2-CB 4.26Å; W521-P523 HydrophobicContact CZ3-CB 3.8Å; W521-P523 HydrophobicContact CZ3-CG 4.14Å; W521-L527 HydrophobicContact CH2-CD2 4.23Å
522	T	60.6	Low	64.3	Low	118 Å²	118	92.7 Å²	92.7	72%	0.724	47%	0.469	S	S	*	.			trans	-118.4	121	177.9	59.2	0	0	0	0	111.8
523	P	62.3	Low	64.3	Low	26 Å²	26	92.2 Å²	92.2	17%	0.169	47%	0.465	C	S	.	.			trans	-69.1	157.1	178.3	26.6	-34.2	0	0	0	113.4	W521 L527	W521-P523 HydrophobicContact CH2-CB 3.56Å; W521-P523 HydrophobicContact CH2-CG 4.4Å; W521-P523 HydrophobicContact CZ2-CB 4.26Å; W521-P523 HydrophobicContact CZ3-CB 3.8Å; W521-P523 HydrophobicContact CZ3-CG 4.14Å; P523-L527 HydrophobicContact CB-CD2 3.94Å
524	E	60.8	Low	64.5	Low	149 Å²	149	94.5 Å²	94.5	70%	0.696	48%	0.482	S	S	*	.			trans	-61.5	145.1	170.7	-75.9	-158.9	176.8	0	0	112.7	N526 L527	E524-N526 PolarHBondContact O-N 3.18Å; E524-L527 HydrophobicContact CB-CB 4.48Å; E524-L527 WeakPolarHBondContact O-CB 3.28Å; E524-L527 PolarHBondContact O-N 3.28Å
525	P	58.7	Low	64.4	Low	123 Å²	123	96.5 Å²	96.5	80%	0.799	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-14.2	-169.4	24.5	-35.2	0	0	0	115.5
526	N	63.7	Low	64.6	Low	101 Å²	101	94.1 Å²	94.1	54%	0.54	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-12.9	176.6	-69	-56.5	0	0	0	114	E524 I528 K529 E530	E524-N526 PolarHBondContact O-N 3.18Å; N526-I528 VanDerWaalsContact C-N 3.32Å; N526-I528 PolarHBondContact O-N 2.97Å; N526-K529 WeakPolarHBondContact O-CB 3.37Å; N526-K529 PolarHBondContact O-N 3.27Å; N526-E530 PolarHBondContact O-N 2.74Å
527	L	65.6	Low	64.8	Low	55 Å²	55	93.7 Å²	93.7	29%	0.288	47%	0.466	S	S	.	.	H	α-helix	trans	-59.5	-38	-167.4	-177.3	62.5	0	0	0	113.5	W521 P523 E524 K529 E530 I531	W521-L527 HydrophobicContact CH2-CD2 4.23Å; P523-L527 HydrophobicContact CB-CD2 3.94Å; E524-L527 HydrophobicContact CB-CB 4.48Å; E524-L527 WeakPolarHBondContact O-CB 3.28Å; E524-L527 PolarHBondContact O-N 3.28Å; L527-K529 PolarHBondContact O-N 2.84Å; L527-E530 PolarHBondContact O-N 3.04Å; L527-I531 HydrophobicContact CD1-CD1 3.97Å; L527-I531 HydrophobicContact CD1-CG1 4.16Å; L527-I531 HydrophobicContact CD2-CD1 4.41Å; L527-I531 HydrophobicContact CG-CD1 3.8Å; L527-I531 HydrophobicContact CG-CG1 4.38Å; L527-I531 WeakPolarHBondContact O-CG1 3.35Å; L527-I531 PolarHBondContact O-N 2.77Å
528	I	62.4	Low	64.8	Low	91 Å²	91	96.4 Å²	96.4	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-56.6	-40	176.9	-64.1	159.5	0	0	0	111.5	I483 N526 Y532	I483-I528 HydrophobicContact CD1-CB 4.45Å; I483-I528 HydrophobicContact CD1-CG1 3.64Å; I483-I528 HydrophobicContact CG1-CD1 4.49Å; I483-I528 HydrophobicContact CG1-CG1 3.71Å; N526-I528 VanDerWaalsContact C-N 3.32Å; N526-I528 PolarHBondContact O-N 2.97Å; I528-Y532 WeakPolarHBondContact O-CB 3.42Å; I528-Y532 PolarHBondContact O-N 2.68Å
529	K	66.8	Low	64.3	Low	149 Å²	149	98.6 Å²	98.6	65%	0.648	49%	0.489	S	S	*	.	H	α-helix	trans	-74.3	-40.6	-177.9	-177.1	-173.2	172.7	-165.6	0	111.3	N526 L527 A533	N526-K529 WeakPolarHBondContact O-CB 3.37Å; N526-K529 PolarHBondContact O-N 3.27Å; L527-K529 PolarHBondContact O-N 2.84Å; K529-A533 VanDerWaalsContact O-CB 3.25Å; K529-A533 WeakPolarHBondContact O-CB 3.29Å; K529-A533 PolarHBondContact O-N 3.47Å
530	E	69.1	Low	63.3	Low	115 Å²	115	96.7 Å²	96.7	54%	0.537	49%	0.489	S	S	.	.	H	α-helix	trans	-61.1	-51.4	176.1	-68.9	-70	124.2	0	0	111.5	N526 L527 Y532 A533 S534	N526-E530 PolarHBondContact O-N 2.74Å; L527-E530 PolarHBondContact O-N 3.04Å; E530-Y532 PolarHBondContact O-N 3.35Å; E530-A533 CarbonylContact O-C 3.55Å; E530-A533 PolarHBondContact O-N 3.27Å; E530-S534 WeakPolarHBondContact O-CB 3.34Å; E530-S534 PolarHBondContact O-N 3.09Å
531	I	67.3	Low	62.9	Low	74 Å²	74	94 Å²	94	38%	0.379	48%	0.483	S	S	.	.	H	α-helix	trans	-59.8	-47.4	-179.7	-67.8	170.7	0	0	0	110.7	I483 F485 L527 A533 S534 F535	I483-I531 HydrophobicContact CD1-CD1 3.92Å; F485-I531 HydrophobicContact CZ-CD1 4.3Å; L527-I531 HydrophobicContact CD1-CD1 3.97Å; L527-I531 HydrophobicContact CD1-CG1 4.16Å; L527-I531 HydrophobicContact CD2-CD1 4.41Å; L527-I531 HydrophobicContact CG-CD1 3.8Å; L527-I531 HydrophobicContact CG-CG1 4.38Å; L527-I531 WeakPolarHBondContact O-CG1 3.35Å; L527-I531 PolarHBondContact O-N 2.77Å; I531-A533 PolarHBondContact O-N 3.22Å; I531-S534 WeakPolarHBondContact O-CB 3.26Å; I531-S534 PolarHBondContact O-N 3.18Å; I531-F535 PolarHBondContact O-N 3.21Å
532	Y	71.5	Confident	61.7	Low	149 Å²	149	91.7 Å²	91.7	58%	0.584	48%	0.479	S	S	*	.	H	α-helix	trans	-61.8	-42	177.2	179.8	-104.7	0	0	0	112.5	I528 E530 S534 M536	I528-Y532 WeakPolarHBondContact O-CB 3.42Å; I528-Y532 PolarHBondContact O-N 2.68Å; E530-Y532 PolarHBondContact O-N 3.35Å; Y532-S534 VanDerWaalsContact C-N 3.32Å; Y532-S534 PolarHBondContact O-N 2.77Å; Y532-M536 HydrophobicContact CE1-CG 4.36Å; Y532-M536 HydrophobicContact CE2-CE 3.8Å; Y532-M536 HydrophobicContact CE2-CG 4.25Å; Y532-M536 WeakPolarHBondContact O-CB 3.27Å; Y532-M536 WeakPolarHBondContact O-CG 3.37Å; Y532-M536 PolarHBondContact O-N 3.02Å; Y532-M536 VanDerWaalsContact OH-CE 3.27Å; Y532-M536 WeakPolarHBondContact OH-CE 3.43Å
533	A	64.9	Low	60.9	Low	30 Å²	30	88.4 Å²	88.4	25%	0.248	46%	0.461	C	S	.	.	H	α-helix	trans	-71.5	-23.2	176.4	0	0	0	0	0	113.4	K529 E530 I531 R537 L542	K529-A533 VanDerWaalsContact O-CB 3.25Å; K529-A533 WeakPolarHBondContact O-CB 3.29Å; K529-A533 PolarHBondContact O-N 3.47Å; E530-A533 CarbonylContact O-C 3.55Å; E530-A533 PolarHBondContact O-N 3.27Å; I531-A533 PolarHBondContact O-N 3.22Å; A533-R537 WeakPolarHBondContact O-CG 3.36Å; A533-R537 PolarHBondContact O-N 2.71Å; A533-R537 PolarHBondContact O-NE 2.92Å; A533-L542 HydrophobicContact CB-CD1 4.38Å
534	S	67.1	Low	60	Low	63 Å²	63	94.7 Å²	94.7	44%	0.441	49%	0.493	S	S	.	.	H	α-helix	trans	-74.6	-52.6	171.2	-166.4	0	0	0	0	111.2	E530 I531 Y532 M536 R537 H538	E530-S534 WeakPolarHBondContact O-CB 3.34Å; E530-S534 PolarHBondContact O-N 3.09Å; I531-S534 WeakPolarHBondContact O-CB 3.26Å; I531-S534 PolarHBondContact O-N 3.18Å; Y532-S534 VanDerWaalsContact C-N 3.32Å; Y532-S534 PolarHBondContact O-N 2.77Å; S534-M536 VanDerWaalsContact C-N 3.33Å; S534-M536 PolarHBondContact O-N 3.45Å; S534-R537 WeakPolarHBondContact O-CA 2.95Å; S534-R537 WeakPolarHBondContact O-CB 3.25Å; S534-R537 PolarHBondContact O-N 3.09Å; S534-H538 PolarHBondContact O-N 3.1Å
535	F	66.4	Low	58.7	Low	100 Å²	100	92.2 Å²	92.2	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-57.5	-43.1	178.2	-178.2	-114.5	0	0	0	112.4	I531 R537 H538 L539 F586	I531-F535 PolarHBondContact O-N 3.21Å; F535-R537 VanDerWaalsContact C-N 3.3Å; F535-R537 PolarHBondContact O-N 3.2Å; F535-H538 PolarHBondContact O-N 3.23Å; F535-L539 HydrophobicContact CD1-CD1 3.98Å; F535-L539 HydrophobicContact CE1-CD1 3.51Å; F535-L539 HydrophobicContact CE1-CG 4.4Å; F535-L539 HydrophobicContact CE2-CD1 4.26Å; F535-L539 HydrophobicContact CE2-CG 4.35Å; F535-L539 HydrophobicContact CZ-CD1 3.67Å; F535-L539 HydrophobicContact CZ-CD2 4.5Å; F535-L539 HydrophobicContact CZ-CG 4.24Å; F535-L539 WeakPolarHBondContact O-CG 3.48Å; F535-L539 PolarHBondContact O-N 2.93Å; F535-F586 HydrophobicContact CE2-CZ 4.48Å
536	M	67.3	Low	57.3	Low	42 Å²	42	88.7 Å²	88.7	21%	0.207	47%	0.469	C	S	.	.	H	α-helix	trans	-67.9	-25.1	175.8	-74.8	-67.4	-159.1	0	0	113.8	Y532 S534 V541 L542	Y532-M536 HydrophobicContact CE1-CG 4.36Å; Y532-M536 HydrophobicContact CE2-CE 3.8Å; Y532-M536 HydrophobicContact CE2-CG 4.25Å; Y532-M536 WeakPolarHBondContact O-CB 3.27Å; Y532-M536 WeakPolarHBondContact O-CG 3.37Å; Y532-M536 PolarHBondContact O-N 3.02Å; Y532-M536 VanDerWaalsContact OH-CE 3.27Å; Y532-M536 WeakPolarHBondContact OH-CE 3.43Å; S534-M536 VanDerWaalsContact C-N 3.33Å; S534-M536 PolarHBondContact O-N 3.45Å; M536-V541 WeakPolarHBondContact O-CA 3.48Å; M536-V541 WeakPolarHBondContact O-CB 3.43Å; M536-V541 PolarHBondContact O-N 2.87Å; M536-V541 HydrophobicContact SD-CB 3.88Å; M536-V541 HydrophobicContact SD-CG1 3.79Å; M536-V541 HydrophobicContact SD-CG2 4.27Å; M536-L542 HydrophobicContact CB-CD1 3.66Å; M536-L542 HydrophobicContact CB-CG 3.86Å; M536-L542 PolarHBondContact O-N 2.91Å
537	R	69.5	Low	55.4	Low	112 Å²	112	89.9 Å²	89.9	42%	0.423	48%	0.48	S	S	.	.	H	α-helix	trans	-72.7	-46.6	169.9	-83.3	177	-72.6	157.4	-3.9	111.6	A533 S534 F535 L539 G540 L542	A533-R537 WeakPolarHBondContact O-CG 3.36Å; A533-R537 PolarHBondContact O-N 2.71Å; A533-R537 PolarHBondContact O-NE 2.92Å; S534-R537 WeakPolarHBondContact O-CA 2.95Å; S534-R537 WeakPolarHBondContact O-CB 3.25Å; S534-R537 PolarHBondContact O-N 3.09Å; F535-R537 VanDerWaalsContact C-N 3.3Å; F535-R537 PolarHBondContact O-N 3.2Å; R537-L539 VanDerWaalsContact C-N 3.31Å; R537-L539 PolarHBondContact O-N 3.01Å; R537-G540 PolarHBondContact O-N 3.04Å; R537-L542 WeakPolarHBondContact CA-O 3.32Å; R537-L542 HydrophobicContact CG-CB 3.71Å; R537-L542 HydrophobicContact CG-CD1 4.34Å
538	H	58.6	Low	53.5	Low	144 Å²	144	93.7 Å²	93.7	67%	0.667	50%	0.5	S	S	*	.	H	α-helix	trans	-58.2	-41.4	177.3	175.9	85.9	0	0	0	112.1	S534 F535 G540	S534-H538 PolarHBondContact O-N 3.1Å; F535-H538 PolarHBondContact O-N 3.23Å; H538-G540 PolarHBondContact O-N 3.39Å; H538-G540 VanDerWaalsContact O-N 3.11Å
539	L	57	Low	51.9	Low	75 Å²	75	95.9 Å²	95.9	39%	0.393	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-0.7	174.4	-68.3	179.1	0	0	0	115	F535 R537 V541 F586	F535-L539 HydrophobicContact CD1-CD1 3.98Å; F535-L539 HydrophobicContact CE1-CD1 3.51Å; F535-L539 HydrophobicContact CE1-CG 4.4Å; F535-L539 HydrophobicContact CE2-CD1 4.26Å; F535-L539 HydrophobicContact CE2-CG 4.35Å; F535-L539 HydrophobicContact CZ-CD1 3.67Å; F535-L539 HydrophobicContact CZ-CD2 4.5Å; F535-L539 HydrophobicContact CZ-CG 4.24Å; F535-L539 WeakPolarHBondContact O-CG 3.48Å; F535-L539 PolarHBondContact O-N 2.93Å; R537-L539 VanDerWaalsContact C-N 3.31Å; R537-L539 PolarHBondContact O-N 3.01Å; L539-V541 HydrophobicContact CB-CG2 3.87Å; L539-V541 PolarHBondContact O-N 3.38Å; L539-F586 HydrophobicContact CD2-CD2 4.22Å; L539-F586 HydrophobicContact CD2-CE2 3.87Å
540	G	43.6	Very low	50	Low	47 Å²	47	96.2 Å²	96.2	49%	0.485	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	20.3	-174.8	0	0	0	0	0	114.1	R537 H538	R537-G540 PolarHBondContact O-N 3.04Å; H538-G540 PolarHBondContact O-N 3.39Å; H538-G540 VanDerWaalsContact O-N 3.11Å
541	V	54.2	Low	48.2	Very low	93 Å²	93	95.3 Å²	95.3	56%	0.564	52%	0.523	S	S	*	.	S	Bend	trans	-88.7	-35.9	-179.5	178.6	0	0	0	0	110.9	M536 L539	M536-V541 WeakPolarHBondContact O-CA 3.48Å; M536-V541 WeakPolarHBondContact O-CB 3.43Å; M536-V541 PolarHBondContact O-N 2.87Å; M536-V541 HydrophobicContact SD-CB 3.88Å; M536-V541 HydrophobicContact SD-CG1 3.79Å; M536-V541 HydrophobicContact SD-CG2 4.27Å; L539-V541 HydrophobicContact CB-CG2 3.87Å; L539-V541 PolarHBondContact O-N 3.38Å
542	L	39.1	Very low	46.7	Very low	70 Å²	70	96.5 Å²	96.5	37%	0.366	54%	0.535	S	S	.	.	S	Bend	trans	-99.2	127.4	158	-66.2	171.1	0	0	0	107.5	A533 M536 R537	A533-L542 HydrophobicContact CB-CD1 4.38Å; M536-L542 HydrophobicContact CB-CD1 3.66Å; M536-L542 HydrophobicContact CB-CG 3.86Å; M536-L542 PolarHBondContact O-N 2.91Å; R537-L542 WeakPolarHBondContact CA-O 3.32Å; R537-L542 HydrophobicContact CG-CB 3.71Å; R537-L542 HydrophobicContact CG-CD1 4.34Å
543	S	44.2	Very low	44.8	Very low	48 Å²	48	96.5 Å²	96.5	34%	0.336	54%	0.538	S	S	.	.			trans	-89.7	160.1	168.3	82.3	0	0	0	0	110.5	S545 T546	S543-S545 PolarHBondContact O-N 3.31Å; S543-S545 PolarHBondContact OG-N 2.86Å; S543-S545 VanDerWaalsContact OG-N 3.13Å; S543-S545 PolarHBondContact OG-OG 3.42Å; S543-T546 PolarHBondContact N-OG1 3.23Å; S543-T546 VanDerWaalsContact N-OG1 3.14Å; S543-T546 PolarHBondContact O-N 3.13Å; S543-T546 PolarHBondContact O-OG1 3.37Å; S543-T546 WeakPolarHBondContact OG-CB 3.36Å; S543-T546 VanDerWaalsContact OG-CG2 3.27Å; S543-T546 WeakPolarHBondContact OG-CG2 3.46Å; S543-T546 PolarHBondContact OG-N 3.01Å; S543-T546 PolarHBondContact OG-OG1 3.49Å
544	N	43.1	Very low	43.2	Very low	158 Å²	158	100.8 Å²	100.8	85%	0.845	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	0.1	170.9	-71.1	-11.5	0	0	0	114.1
545	S	31.9	Very low	41.6	Very low	98 Å²	98	102.9 Å²	102.9	69%	0.685	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.8	27.6	-174.3	53.3	0	0	0	0	112.5	S543	S543-S545 PolarHBondContact O-N 3.31Å; S543-S545 PolarHBondContact OG-N 2.86Å; S543-S545 VanDerWaalsContact OG-N 3.13Å; S543-S545 PolarHBondContact OG-OG 3.42Å
546	T	30.9	Very low	40.2	Very low	49 Å²	49	102.9 Å²	102.9	30%	0.301	57%	0.573	S	S	.	*			trans	-133.7	137.6	177	46.8	0	0	0	0	114.5	S543 N548	S543-T546 PolarHBondContact N-OG1 3.23Å; S543-T546 VanDerWaalsContact N-OG1 3.14Å; S543-T546 PolarHBondContact O-N 3.13Å; S543-T546 PolarHBondContact O-OG1 3.37Å; S543-T546 WeakPolarHBondContact OG-CB 3.36Å; S543-T546 VanDerWaalsContact OG-CG2 3.27Å; S543-T546 WeakPolarHBondContact OG-CG2 3.46Å; S543-T546 PolarHBondContact OG-N 3.01Å; S543-T546 PolarHBondContact OG-OG1 3.49Å; T546-N548 WeakPolarHBondContact CG2-O 3.33Å
547	T	23.8	Very low	38.5	Very low	126 Å²	126	109.5 Å²	109.5	77%	0.773	61%	0.609	S	S	*	*	S	Bend	cis	43	67.7	-13	59.4	0	0	0	0	117.3
548	N	26	Very low	36.5	Very low	134 Å²	134	110.1 Å²	110.1	72%	0.717	62%	0.621	S	S	*	*	S	Bend	trans	92	89.8	160.6	-50.5	-31.1	0	0	0	120.1	T546	T546-N548 WeakPolarHBondContact CG2-O 3.33Å
549	L	26.9	Very low	35.1	Very low	138 Å²	138	108.8 Å²	108.8	72%	0.723	62%	0.623	S	S	*	*				81.6	123.9	127	-72.8	141.7	0	0	0	122.3
550	L	27.8	Very low	33.6	Very low	156 Å²	156	117.4 Å²	117.4	82%	0.817	65%	0.65	S	S	*	*			trans	92.5	101.5	137.3	-64.9	164.7	0	0	0	123.3
551	T	32.4	Very low	32.8	Very low	96 Å²	96	122.6 Å²	122.6	59%	0.589	67%	0.667	S	S	*	*			trans	-63.9	-179.5	147.2	65.7	0	0	0	0	112.7
552	P	34.5	Very low	31.8	Very low	98 Å²	98	123 Å²	123	64%	0.636	67%	0.671	S	S	*	*			cis	-154.5	156.8	22.9	40.7	-17.1	0	0	0	122.7
553	K	32.4	Very low	31.2	Very low	150 Å²	150	126.7 Å²	126.7	65%	0.652	69%	0.691	S	S	*	*				38.1	139.9	123.5	-38.1	177.1	91.1	154.4	0	120.3
554	F	30.1	Very low	30.5	Very low	119 Å²	119	132.4 Å²	132.4	52%	0.522	71%	0.713	S	S	.	*				161.6	-176.5	72.6	-103.4	-49.1	0	0	0	108.8	R581	F554-R581 HydrophobicContact CE2-CG 4.3Å
555	P	34.2	Very low	29.8	Very low	107 Å²	107	131.4 Å²	131.4	70%	0.695	71%	0.707	S	S	*	*			cis	-132.1	175.1	-24	38.4	-21.1	0	0	0	114.8
556	P	36.3	Very low	29.7	Very low	100 Å²	100	132.4 Å²	132.4	65%	0.649	71%	0.709	S	S	*	*			trans	-87.6	169.2	169.1	36.3	-35.9	0	0	0	113.8
557	L	31.7	Very low	29.6	Very low	182 Å²	182	139.2 Å²	139.2	95%	0.953	74%	0.735	S	S	*	*			trans	-136.2	153.7	171.2	-146.9	82.1	0	0	0	112.7
558	N	28.9	Very low	29.8	Very low	125 Å²	125	142.8 Å²	142.8	67%	0.668	74%	0.74	S	S	*	*			trans	-96.7	151	-158.9	-141.2	-29.5	0	0	0	114.6
559	T	28.2	Very low	29.9	Very low	116 Å²	116	143.4 Å²	143.4	71%	0.712	75%	0.749	S	S	*	*			trans	-9.2	131.3	158.6	50	0	0	0	0	118.8
560	R	25.8	Very low	29.9	Very low	255 Å²	255	142.4 Å²	142.4	96%	0.962	75%	0.749	S	S	*	*			trans	-160.2	153	140.3	-119	170.4	-173.3	-172.7	0.4	115.3
561	N	27	Very low	29.8	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	75%	0.747	S	S	*	*			trans	-67	163	-174.3	-108.4	-12.5	0	0	0	114.3
562	P	32	Very low	29.5	Very low	101 Å²	101	142.5 Å²	142.5	66%	0.656	76%	0.755	S	S	*	*			trans	-76.8	144.6	-163.5	30.6	-36.9	0	0	0	113.8
563	N	26.8	Very low	29.2	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	77%	0.767	S	S	*	*			trans	171.6	161.5	130.2	-98	-63.5	0	0	0	112.3
564	Q	31	Very low	28.9	Very low	168 Å²	168	143.7 Å²	143.7	79%	0.785	77%	0.771	S	S	*	*			trans	68.1	95.7	161.4	-68.3	172.6	38.4	0	0	120
565	N	27.8	Very low	28.7	Very low	137 Å²	137	143.8 Å²	143.8	73%	0.733	78%	0.781	S	S	*	*				66.1	107.8	115.2	-70.2	-15.7	0	0	0	122.2
566	T	28.3	Very low	28.3	Very low	119 Å²	119	145.8 Å²	145.8	73%	0.73	79%	0.786	S	S	*	*				89.2	140.7	126.7	67.4	0	0	0	0	122.2
567	K	30.8	Very low	27.8	Very low	193 Å²	193	147.1 Å²	147.1	84%	0.839	79%	0.792	S	S	*	*			trans	77.9	96.2	156	-71.7	165.6	-177.2	174.6	0	119.5
568	K	26.8	Very low	27.6	Very low	200 Å²	200	144.9 Å²	144.9	87%	0.87	79%	0.786	S	S	*	*			trans	-5.5	134.4	135.5	-57.6	176.3	177	-177.9	0	116.4
569	T	28.5	Very low	27.5	Very low	148 Å²	148	144.3 Å²	144.3	91%	0.908	79%	0.792	S	S	*	*			trans	-160.2	159.5	130.4	-74.4	0	0	0	0	108.7
570	T	25.9	Very low	27.4	Very low	117 Å²	117	148.2 Å²	148.2	72%	0.718	80%	0.799	S	S	*	*			trans	-128.5	133.5	-155.5	-56.5	0	0	0	0	112.2
571	V	26.7	Very low	27.5	Very low	128 Å²	128	144.1 Å²	144.1	78%	0.776	78%	0.784	S	S	*	*			trans	64.8	129.4	163	170.9	0	0	0	0	115
572	T	26.9	Very low	27.7	Very low	125 Å²	125	141.5 Å²	141.5	77%	0.767	78%	0.777	S	S	*	*				-168.3	153.6	78.4	-43.2	0	0	0	0	110.9
573	L	27.4	Very low	27.6	Very low	168 Å²	168	144 Å²	144	88%	0.88	78%	0.779	S	S	*	*			trans	-81.8	136	171.4	-79.1	76	0	0	0	112.4
574	S	25.8	Very low	28	Very low	106 Å²	106	139 Å²	139	74%	0.741	76%	0.755	S	S	*	*			trans	-156.3	105.7	155.3	46.7	0	0	0	0	113.8
575	T	26.1	Very low	28.6	Very low	120 Å²	120	138.6 Å²	138.6	74%	0.736	75%	0.75	S	S	*	*			trans	27.4	135.9	144.8	57.6	0	0	0	0	122.7
576	N	25.4	Very low	29.4	Very low	150 Å²	150	137.1 Å²	137.1	80%	0.802	74%	0.738	S	S	*	*			trans	94.2	165	149.7	-59.8	-25.9	0	0	0	119.8
577	V	26.9	Very low	30.2	Very low	128 Å²	128	136.9 Å²	136.9	78%	0.776	73%	0.731	S	S	*	*			trans	80.2	76.5	176.2	-163.2	0	0	0	0	116.5
578	T	25.8	Very low	31	Very low	135 Å²	135	132.4 Å²	132.4	83%	0.828	71%	0.713	S	S	*	*			trans	13.6	109.1	134.6	53.1	0	0	0	0	118.4
579	S	26.6	Very low	32.1	Very low	113 Å²	113	127.5 Å²	127.5	79%	0.79	70%	0.696	S	S	*	*			trans	-148.4	136.1	153.8	-165	0	0	0	0	113.1
580	K	27.9	Very low	33.1	Very low	197 Å²	197	124.5 Å²	124.5	86%	0.857	67%	0.672	S	S	*	*			trans	-0.5	119.4	168.2	-62.3	171.4	-179.3	177.3	0	117.7	S582	K580-S582 PolarHBondContact O-N 2.82Å
581	R	26.6	Very low	34.3	Very low	169 Å²	169	123.3 Å²	123.3	64%	0.638	66%	0.662	S	S	*	*			trans	-58.2	107.7	154.6	-78.6	-176.3	178.1	173.2	-0.8	109.1	F554 F583	F554-R581 HydrophobicContact CE2-CG 4.3Å; R581-F583 HydrophobicContact CB-CD2 4.26Å; R581-F583 HydrophobicContact CB-CE2 4.34Å; R581-F583 PolarHBondContact O-N 3.14Å
582	S	30.9	Very low	35.4	Very low	101 Å²	101	122.9 Å²	122.9	71%	0.706	66%	0.655	S	S	*	*			trans	-71.9	118.4	148.1	-167.2	0	0	0	0	106.7	K580 S584	K580-S582 PolarHBondContact O-N 2.82Å; S582-S584 PolarHBondContact O-N 3.17Å
583	F	30.1	Very low	37.1	Very low	155 Å²	155	121.5 Å²	121.5	68%	0.68	64%	0.64	S	S	*	*			trans	-78.6	100.3	167.8	-88	-99.3	0	0	0	107.5	R581 K585	R581-F583 HydrophobicContact CB-CD2 4.26Å; R581-F583 HydrophobicContact CB-CE2 4.34Å; R581-F583 PolarHBondContact O-N 3.14Å; F583-K585 PolarHBondContact O-N 2.72Å
584	S	34.9	Very low	38.2	Very low	41 Å²	41	118 Å²	118	29%	0.287	62%	0.619	S	S	.	*			trans	-50.6	121.4	150.1	-48.7	0	0	0	0	106.5	S582	S582-S584 PolarHBondContact O-N 3.17Å
585	K	45.2	Very low	39.8	Very low	161 Å²	161	114.6 Å²	114.6	70%	0.7	60%	0.601	S	S	*	*			trans	-63.6	152.1	175.3	-70.6	179.4	178.4	177.6	0	108.3	F583 L587 Q588	F583-K585 PolarHBondContact O-N 2.72Å; K585-L587 PolarHBondContact O-N 2.93Å; K585-Q588 PolarHBondContact O-N 3.46Å
586	F	43.9	Very low	41.4	Very low	105 Å²	105	110.3 Å²	110.3	46%	0.461	57%	0.573	S	S	.	*	H	α-helix	trans	-50.1	-44	177.3	177	-104.8	0	0	0	112	F535 L539 Q588 I589 M590	F535-F586 HydrophobicContact CE2-CZ 4.48Å; L539-F586 HydrophobicContact CD2-CD2 4.22Å; L539-F586 HydrophobicContact CD2-CE2 3.87Å; F586-Q588 VanDerWaalsContact C-N 3.34Å; F586-Q588 PolarHBondContact O-N 3.34Å; F586-I589 PolarHBondContact O-N 2.91Å; F586-I589 VanDerWaalsContact O-N 3.1Å; F586-M590 HydrophobicContact CD1-CG 4.15Å; F586-M590 HydrophobicContact CE1-CG 3.74Å; F586-M590 HydrophobicContact CE1-SD 4.16Å; F586-M590 HydrophobicContact CE2-CG 4.35Å; F586-M590 HydrophobicContact CE2-SD 4.13Å; F586-M590 HydrophobicContact CZ-CG 3.85Å; F586-M590 HydrophobicContact CZ-SD 3.68Å; F586-M590 PolarHBondContact O-N 3.21Å
587	L	44.8	Very low	43	Very low	115 Å²	115	108.3 Å²	108.3	60%	0.602	56%	0.562	S	S	*	*	H	α-helix	trans	-40.4	-57.3	168.3	-107.1	64.3	0	0	0	112.8	K585 I589 M590 D591	K585-L587 PolarHBondContact O-N 2.93Å; L587-I589 PolarHBondContact O-N 3.45Å; L587-M590 CarbonylContact O-C 3.59Å; L587-M590 WeakPolarHBondContact O-CA 3.35Å; L587-M590 WeakPolarHBondContact O-CB 3.49Å; L587-M590 PolarHBondContact O-N 2.92Å; L587-D591 VanDerWaalsContact C-OD2 3.3Å; L587-D591 PolarHBondContact O-N 3.1Å
588	Q	48.1	Very low	44.2	Very low	98 Å²	98	109.3 Å²	109.3	46%	0.458	55%	0.552	S	S	.	*	H	α-helix	trans	-66.9	-13.9	-171.6	-165.2	166.5	24	0	0	114.3	K585 F586 D591	K585-Q588 PolarHBondContact O-N 3.46Å; F586-Q588 VanDerWaalsContact C-N 3.34Å; F586-Q588 PolarHBondContact O-N 3.34Å; Q588-D591 WeakPolarHBondContact CA-OD2 3.37Å; Q588-D591 PolarHBondContact N-OD2 3.37Å
589	I	49.8	Very low	45.7	Very low	98 Å²	98	104.9 Å²	104.9	50%	0.503	53%	0.527	S	S	.	.	H	α-helix	trans	-90.7	-33.8	171.8	-61.2	173.7	0	0	0	110.3	F586 L587 E593	F586-I589 PolarHBondContact O-N 2.91Å; F586-I589 VanDerWaalsContact O-N 3.1Å; L587-I589 PolarHBondContact O-N 3.45Å; I589-E593 PolarHBondContact O-N 2.76Å
590	M	48.9	Very low	47.4	Very low	84 Å²	84	101 Å²	101	41%	0.414	50%	0.498	S	S	.	.	H	α-helix	trans	-67.5	-43.8	171.6	-62	-58.8	-53.1	0	0	111.4	F586 L587 D592 E593 E594	F586-M590 HydrophobicContact CD1-CG 4.15Å; F586-M590 HydrophobicContact CE1-CG 3.74Å; F586-M590 HydrophobicContact CE1-SD 4.16Å; F586-M590 HydrophobicContact CE2-CG 4.35Å; F586-M590 HydrophobicContact CE2-SD 4.13Å; F586-M590 HydrophobicContact CZ-CG 3.85Å; F586-M590 HydrophobicContact CZ-SD 3.68Å; F586-M590 PolarHBondContact O-N 3.21Å; L587-M590 CarbonylContact O-C 3.59Å; L587-M590 WeakPolarHBondContact O-CA 3.35Å; L587-M590 WeakPolarHBondContact O-CB 3.49Å; L587-M590 PolarHBondContact O-N 2.92Å; M590-D592 VanDerWaalsContact C-N 3.3Å; M590-D592 PolarHBondContact O-N 3.44Å; M590-E593 PolarHBondContact O-N 2.93Å; M590-E594 VanDerWaalsContact O-CB 3.28Å; M590-E594 WeakPolarHBondContact O-CB 3.39Å; M590-E594 PolarHBondContact O-N 3.49Å
591	D	50.8	Low	49.1	Very low	92 Å²	92	96.8 Å²	96.8	49%	0.492	48%	0.481	S	S	.	.	H	α-helix	trans	-56.4	-43.9	179.2	-57.3	-31.1	0	0	0	111.1	L587 Q588 G595	L587-D591 VanDerWaalsContact C-OD2 3.3Å; L587-D591 PolarHBondContact O-N 3.1Å; Q588-D591 WeakPolarHBondContact CA-OD2 3.37Å; Q588-D591 PolarHBondContact N-OD2 3.37Å; D591-G595 PolarHBondContact O-N 3.32Å; D591-G595 VanDerWaalsContact O-N 3.16Å
592	D	51	Low	50.7	Low	120 Å²	120	92.5 Å²	92.5	64%	0.642	47%	0.471	S	S	*	.	H	α-helix	trans	-70.2	-41.4	-179.7	-75.5	-12.5	0	0	0	112.5	M590 L596	M590-D592 VanDerWaalsContact C-N 3.3Å; M590-D592 PolarHBondContact O-N 3.44Å; D592-L596 PolarHBondContact O-N 3.15Å
593	E	61.5	Low	52.3	Low	95 Å²	95	91.6 Å²	91.6	44%	0.444	46%	0.455	S	S	.	.	H	α-helix	trans	-75.4	-36.5	177.8	-80	-86.6	112.4	0	0	112.6	I589 M590 L596 L597 R637	I589-E593 PolarHBondContact O-N 2.76Å; M590-E593 PolarHBondContact O-N 2.93Å; E593-L596 PolarHBondContact O-N 3.44Å; E593-L597 WeakPolarHBondContact O-CG 3.25Å; E593-L597 PolarHBondContact O-N 3.27Å; E593-R637 IonicContact OE1-NH2 2.8Å; E593-R637 PolarHBondContact OE1-NH2 2.93Å; E593-R637 VanDerWaalsContact OE1-NH2 3.11Å
594	E	51.9	Low	54.2	Low	94 Å²	94	90 Å²	90	44%	0.439	44%	0.444	S	S	.	.	H	α-helix	trans	-66.4	-42.7	177.1	-166.6	-169.5	139.4	0	0	111.3	M590 L596 L597 R598	M590-E594 VanDerWaalsContact O-CB 3.28Å; M590-E594 WeakPolarHBondContact O-CB 3.39Å; M590-E594 PolarHBondContact O-N 3.49Å; E594-L596 PolarHBondContact O-N 3.01Å; E594-L597 PolarHBondContact O-N 3.27Å; E594-R598 WeakPolarHBondContact O-CB 3.4Å; E594-R598 VanDerWaalsContact O-CG 3.29Å; E594-R598 WeakPolarHBondContact O-CG 3.44Å; E594-R598 PolarHBondContact O-N 3Å; E594-R598 IonicContact OE1-CZ 2.87Å; E594-R598 IonicContact OE1-NE 3.43Å; E594-R598 PolarHBondContact OE1-NE 2.77Å; E594-R598 IonicContact OE1-NH2 3.81Å; E594-R598 PolarHBondContact OE1-NH2 2.94Å
595	G	58.1	Low	55.5	Low	36 Å²	36	92.4 Å²	92.4	37%	0.371	46%	0.457	S	S	.	.	H	α-helix	trans	-59.4	-33	174.7	0	0	0	0	0	112.9	D591 S599	D591-G595 PolarHBondContact O-N 3.32Å; D591-G595 VanDerWaalsContact O-N 3.16Å; G595-S599 PolarHBondContact O-N 3.29Å; G595-S599 PolarHBondContact O-OG 3.45Å
596	L	61.4	Low	56.6	Low	29 Å²	29	85.7 Å²	85.7	15%	0.152	43%	0.43	C	S	.	.	H	α-helix	trans	-75.5	-46.8	175.3	-171.3	82.2	0	0	0	112.8	D592 E593 E594 R598 S599 V600 R637	D592-L596 PolarHBondContact O-N 3.15Å; E593-L596 PolarHBondContact O-N 3.44Å; E594-L596 PolarHBondContact O-N 3.01Å; L596-R598 VanDerWaalsContact C-N 3.26Å; L596-R598 PolarHBondContact O-N 2.92Å; L596-S599 CarbonylContact O-C 3.58Å; L596-S599 WeakPolarHBondContact O-CA 2.98Å; L596-S599 VanDerWaalsContact O-CB 3.31Å; L596-S599 WeakPolarHBondContact O-CB 3.29Å; L596-S599 PolarHBondContact O-N 3.14Å; L596-V600 WeakPolarHBondContact O-CG2 3.38Å; L596-V600 PolarHBondContact O-N 3.17Å; L596-R637 HydrophobicContact CD1-CB 4.4Å; L596-R637 HydrophobicContact CD1-CG 3.48Å; L596-R637 VanDerWaalsContact CD1-CG 3.48Å; L596-R637 HydrophobicContact CD2-CG 3.55Å; L596-R637 HydrophobicContact CG-CG 4.1Å
597	L	58.8	Low	57.8	Low	109 Å²	109	80.9 Å²	80.9	57%	0.571	41%	0.409	S	S	*	.	H	α-helix	trans	-58.7	-41.1	178.3	-76.8	165.1	0	0	0	111.2	E593 E594 V600 E601	E593-L597 WeakPolarHBondContact O-CG 3.25Å; E593-L597 PolarHBondContact O-N 3.27Å; E594-L597 PolarHBondContact O-N 3.27Å; L597-V600 PolarHBondContact O-N 2.91Å; L597-E601 PolarHBondContact O-N 3.03Å
598	R	51.7	Low	58.8	Low	149 Å²	149	79.2 Å²	79.2	56%	0.562	40%	0.401	S	S	*	.	H	α-helix	trans	-57.3	-48.3	169.9	-71.1	172.5	179.5	-76.2	-0.7	111.4	E594 L596 V600 E601 D602	E594-R598 WeakPolarHBondContact O-CB 3.4Å; E594-R598 VanDerWaalsContact O-CG 3.29Å; E594-R598 WeakPolarHBondContact O-CG 3.44Å; E594-R598 PolarHBondContact O-N 3Å; E594-R598 IonicContact OE1-CZ 2.87Å; E594-R598 IonicContact OE1-NE 3.43Å; E594-R598 PolarHBondContact OE1-NE 2.77Å; E594-R598 IonicContact OE1-NH2 3.81Å; E594-R598 PolarHBondContact OE1-NH2 2.94Å; L596-R598 VanDerWaalsContact C-N 3.26Å; L596-R598 PolarHBondContact O-N 2.92Å; R598-V600 PolarHBondContact O-N 3.44Å; R598-E601 PolarHBondContact O-N 2.92Å; R598-D602 VanDerWaalsContact O-CB 3.26Å; R598-D602 WeakPolarHBondContact O-CB 3.39Å; R598-D602 PolarHBondContact O-N 3.15Å
599	S	57.2	Low	59.9	Low	42 Å²	42	75.6 Å²	75.6	29%	0.294	39%	0.386	S	S	.	.	H	α-helix	trans	-58.9	-42.8	177.8	-58.1	0	0	0	0	113.2	G595 L596 D602 F603	G595-S599 PolarHBondContact O-N 3.29Å; G595-S599 PolarHBondContact O-OG 3.45Å; L596-S599 CarbonylContact O-C 3.58Å; L596-S599 WeakPolarHBondContact O-CA 2.98Å; L596-S599 VanDerWaalsContact O-CB 3.31Å; L596-S599 WeakPolarHBondContact O-CB 3.29Å; L596-S599 PolarHBondContact O-N 3.14Å; S599-D602 PolarHBondContact O-N 2.86Å; S599-F603 WeakPolarHBondContact O-CD2 3.3Å; S599-F603 PolarHBondContact O-N 2.87Å; S599-F603 VanDerWaalsContact O-N 3.17Å
600	V	62.2	Low	60.8	Low	30 Å²	30	75.3 Å²	75.3	18%	0.182	39%	0.39	C	S	.	.	H	α-helix	trans	-64.6	-41.6	179.9	175.4	0	0	0	0	111.5	L596 L597 R598 R604 E633 V636	L596-V600 WeakPolarHBondContact O-CG2 3.38Å; L596-V600 PolarHBondContact O-N 3.17Å; L597-V600 PolarHBondContact O-N 2.91Å; R598-V600 PolarHBondContact O-N 3.44Å; V600-R604 PolarHBondContact O-N 2.82Å; V600-E633 HydrophobicContact CG2-CG 4.29Å; V600-V636 HydrophobicContact CG2-CB 3.96Å; V600-V636 HydrophobicContact CG2-CG1 3.89Å; V600-V636 HydrophobicContact CG2-CG2 4.36Å
601	E	62.4	Low	61.5	Low	110 Å²	110	74.4 Å²	74.4	51%	0.514	39%	0.389	S	S	.	.	H	α-helix	trans	-69.8	-40	175.4	-155.4	63.4	-130.2	0	0	111.3	L597 R598 F603 R604	L597-E601 PolarHBondContact O-N 3.03Å; R598-E601 PolarHBondContact O-N 2.92Å; E601-F603 PolarHBondContact O-N 2.82Å; E601-R604 VanDerWaalsContact O-CB 3.24Å; E601-R604 WeakPolarHBondContact O-CB 3.43Å; E601-R604 PolarHBondContact O-N 3.17Å; E601-R604 VanDerWaalsContact O-N 3.11Å; E601-R604 WeakPolarHBondContact OE1-CD 3.28Å; E601-R604 IonicContact OE1-CZ 3.67Å; E601-R604 IonicContact OE1-NE 2.66Å; E601-R604 IonicContact OE1-NH1 3.86Å; E601-R604 PolarHBondContact OE1-NH1 3.44Å; E601-R604 IonicContact OE2-CZ 2.67Å; E601-R604 IonicContact OE2-NH1 3.27Å; E601-R604 PolarHBondContact OE2-NH1 3.07Å
602	D	60.3	Low	62.6	Low	78 Å²	78	70.3 Å²	70.3	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-61.7	-29.4	-179.2	-89.4	-40.9	0	0	0	113.9	R598 S599 K869	R598-D602 VanDerWaalsContact O-CB 3.26Å; R598-D602 WeakPolarHBondContact O-CB 3.39Å; R598-D602 PolarHBondContact O-N 3.15Å; S599-D602 PolarHBondContact O-N 2.86Å; D602-K869 PolarHBondContact O-NZ 3.29Å; D602-K869 WeakPolarHBondContact OD1-CE 3.27Å; D602-K869 IonicContact OD1-NZ 2.79Å; D602-K869 PolarHBondContact OD1-NZ 3.46Å
603	F	65.6	Low	63.7	Low	83 Å²	83	71.7 Å²	71.7	36%	0.364	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	5.5	177.9	-67.6	-62.9	0	0	0	114.2	S599 E601 T605 S606 L607 V636 F640	S599-F603 WeakPolarHBondContact O-CD2 3.3Å; S599-F603 PolarHBondContact O-N 2.87Å; S599-F603 VanDerWaalsContact O-N 3.17Å; E601-F603 PolarHBondContact O-N 2.82Å; F603-T605 PolarHBondContact O-N 3.03Å; F603-S606 WeakPolarHBondContact O-CA 3.42Å; F603-S606 WeakPolarHBondContact O-CB 3.47Å; F603-S606 PolarHBondContact O-N 3.24Å; F603-L607 WeakPolarHBondContact O-CG 3.36Å; F603-L607 PolarHBondContact O-N 3.3Å; F603-V636 HydrophobicContact CB-CG2 4.49Å; F603-V636 HydrophobicContact CD2-CG1 4.12Å; F603-F640 HydrophobicContact CB-CE1 4.34Å; F603-F640 HydrophobicContact CB-CZ 3.7Å; F603-F640 HydrophobicContact CD1-CE2 4.19Å; F603-F640 AromaticContact CD1-CZ 3.81Å; F603-F640 HydrophobicContact CD1-CZ 3.81Å; F603-F640 AromaticContact CD2-CE2 3.82Å; F603-F640 HydrophobicContact CD2-CE2 3.82Å; F603-F640 AromaticContact CD2-CZ 3.55Å; F603-F640 HydrophobicContact CD2-CZ 3.55Å; F603-F640 HydrophobicContact CE1-CE2 4.19Å; F603-F640 HydrophobicContact CE1-CZ 4.28Å; F603-F640 AromaticContact CE2-CE2 3.83Å; F603-F640 HydrophobicContact CE2-CE2 3.83Å; F603-F640 HydrophobicContact CE2-CZ 4.06Å; F603-F640 HydrophobicContact CG-CE1 4.44Å; F603-F640 HydrophobicContact CG-CE2 4.02Å; F603-F640 AromaticContact CG-CZ 3.43Å; F603-F640 HydrophobicContact CG-CZ 3.43Å; F603-F640 VanDerWaalsContact CG-CZ 3.43Å; F603-F640 HydrophobicContact CZ-CE2 4.02Å; F603-F640 HydrophobicContact CZ-CZ 4.4Å
604	R	69.7	Low	64.5	Low	122 Å²	122	72.3 Å²	72.3	46%	0.46	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.3	-174.6	-161.5	172	-159	155.1	14.8	114.3	V600 E601 N608	V600-R604 PolarHBondContact O-N 2.82Å; E601-R604 VanDerWaalsContact O-CB 3.24Å; E601-R604 WeakPolarHBondContact O-CB 3.43Å; E601-R604 PolarHBondContact O-N 3.17Å; E601-R604 VanDerWaalsContact O-N 3.11Å; E601-R604 WeakPolarHBondContact OE1-CD 3.28Å; E601-R604 IonicContact OE1-CZ 3.67Å; E601-R604 IonicContact OE1-NE 2.66Å; E601-R604 IonicContact OE1-NH1 3.86Å; E601-R604 PolarHBondContact OE1-NH1 3.44Å; E601-R604 IonicContact OE2-CZ 2.67Å; E601-R604 IonicContact OE2-NH1 3.27Å; E601-R604 PolarHBondContact OE2-NH1 3.07Å; R604-N608 PolarHBondContact O-ND2 3.28Å
605	T	63.2	Low	65.8	Low	91 Å²	91	69.5 Å²	69.5	56%	0.558	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-51.7	169.2	47.5	0	0	0	0	111	F603 L607 N608	F603-T605 PolarHBondContact O-N 3.03Å; T605-L607 VanDerWaalsContact C-N 3.28Å; T605-L607 PolarHBondContact O-N 2.64Å; T605-N608 PolarHBondContact O-N 3.07Å
606	S	66.5	Low	67	Low	20 Å²	20	68.1 Å²	68.1	14%	0.14	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-59.1	-33.6	177.3	-48.5	0	0	0	0	113.5	F603 N608 T609 I612	F603-S606 WeakPolarHBondContact O-CA 3.42Å; F603-S606 WeakPolarHBondContact O-CB 3.47Å; F603-S606 PolarHBondContact O-N 3.24Å; S606-N608 PolarHBondContact O-N 3.5Å; S606-N608 VanDerWaalsContact O-N 3.11Å; S606-T609 WeakPolarHBondContact O-CB 3.41Å; S606-T609 PolarHBondContact O-N 2.88Å; S606-T609 VanDerWaalsContact O-N 3.12Å; S606-T609 PolarHBondContact O-OG1 3.04Å; S606-I612 VanDerWaalsContact O-CD1 3.22Å; S606-I612 WeakPolarHBondContact O-CD1 3.49Å
607	L	69	Low	67.9	Low	3 Å²	3	71.6 Å²	71.6	2%	0.016	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-62.3	-15.7	175.4	-70	171.9	0	0	0	113.6	F603 T605 I612 L616 E632 F635 V636 F640	F603-L607 WeakPolarHBondContact O-CG 3.36Å; F603-L607 PolarHBondContact O-N 3.3Å; T605-L607 VanDerWaalsContact C-N 3.28Å; T605-L607 PolarHBondContact O-N 2.64Å; L607-I612 HydrophobicContact CD2-CG2 4.15Å; L607-L616 HydrophobicContact CB-CD1 4.4Å; L607-L616 HydrophobicContact CD2-CD1 4.16Å; L607-L616 WeakPolarHBondContact O-CD1 3.4Å; L607-E632 HydrophobicContact CD1-CB 3.91Å; L607-E632 HydrophobicContact CD1-CG 4.09Å; L607-E632 HydrophobicContact CD2-CG 4.4Å; L607-F635 HydrophobicContact CD2-CD1 3.83Å; L607-F635 HydrophobicContact CD2-CE1 4.44Å; L607-V636 HydrophobicContact CD1-CG2 4.35Å; L607-V636 HydrophobicContact CD2-CG2 4.49Å; L607-F640 HydrophobicContact CD2-CE1 4.24Å
608	N	67.6	Low	69.1	Low	81 Å²	81	72.8 Å²	72.8	43%	0.433	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-97.9	-12.3	175.7	-71.2	-72.9	0	0	0	114.4	R604 T605 S606	R604-N608 PolarHBondContact O-ND2 3.28Å; T605-N608 PolarHBondContact O-N 3.07Å; S606-N608 PolarHBondContact O-N 3.5Å; S606-N608 VanDerWaalsContact O-N 3.11Å
609	T	69.3	Low	70.5	Confident	22 Å²	22	65.7 Å²	65.7	14%	0.135	33%	0.33	C	S	.	.	S	Bend	trans	-55.1	134.9	176.1	-56.3	0	0	0	0	110.5	S606 V611 I612 R613	S606-T609 WeakPolarHBondContact O-CB 3.41Å; S606-T609 PolarHBondContact O-N 2.88Å; S606-T609 VanDerWaalsContact O-N 3.12Å; S606-T609 PolarHBondContact O-OG1 3.04Å; T609-V611 VanDerWaalsContact C-N 3.26Å; T609-V611 PolarHBondContact O-N 3.27Å; T609-V611 VanDerWaalsContact O-N 3.08Å; T609-I612 PolarHBondContact O-N 3.47Å; T609-R613 PolarHBondContact O-N 2.92Å
610	P	68.9	Low	71.6	Confident	91 Å²	91	66.4 Å²	66.4	59%	0.591	33%	0.329	S	S	*	.	H	α-helix	trans	-55.9	-34.4	-169.2	17.3	-31.7	0	0	0	114.8	R613 L614	P610-R613 WeakPolarHBondContact O-CB 3.39Å; P610-R613 PolarHBondContact O-N 3.3Å; P610-L614 WeakPolarHBondContact O-CG 3.49Å; P610-L614 PolarHBondContact O-N 3Å; P610-L614 VanDerWaalsContact O-N 3.08Å
611	V	64.4	Low	72.5	Confident	65 Å²	65	69.4 Å²	69.4	39%	0.394	35%	0.351	S	S	.	.	H	α-helix	trans	-63.7	-46.7	175.2	-178.4	0	0	0	0	111.5	T609 L614 I615 I723	T609-V611 VanDerWaalsContact C-N 3.26Å; T609-V611 PolarHBondContact O-N 3.27Å; T609-V611 VanDerWaalsContact O-N 3.08Å; V611-L614 WeakPolarHBondContact O-CB 3.45Å; V611-L614 PolarHBondContact O-N 2.79Å; V611-I615 PolarHBondContact O-N 3.04Å; V611-I723 HydrophobicContact CG2-CD1 4.28Å
612	I	73.2	Confident	73.4	Confident	6 Å²	6	67.9 Å²	67.9	3%	0.031	34%	0.343	C	S	.	.	H	α-helix	trans	-71.5	-35	178.2	-70.9	164.6	0	0	0	110.7	S606 L607 T609 L614 I615 L616 F635 L720	S606-I612 VanDerWaalsContact O-CD1 3.22Å; S606-I612 WeakPolarHBondContact O-CD1 3.49Å; L607-I612 HydrophobicContact CD2-CG2 4.15Å; T609-I612 PolarHBondContact O-N 3.47Å; I612-L614 VanDerWaalsContact C-N 3.26Å; I612-L614 PolarHBondContact O-N 3.01Å; I612-I615 PolarHBondContact O-N 2.92Å; I612-L616 HydrophobicContact CG2-CD1 3.95Å; I612-L616 HydrophobicContact CG2-CG 4.1Å; I612-L616 WeakPolarHBondContact O-CG 3.34Å; I612-L616 PolarHBondContact O-N 3.01Å; I612-F635 HydrophobicContact CG1-CE1 4.48Å; I612-F635 HydrophobicContact CG2-CD1 4.42Å; I612-F635 HydrophobicContact CG2-CE1 3.71Å; I612-L720 HydrophobicContact CD1-CD1 4.33Å; I612-L720 HydrophobicContact CD1-CD2 4.07Å
613	R	75.6	Confident	74.2	Confident	149 Å²	149	64.7 Å²	64.7	56%	0.562	33%	0.326	S	S	*	.	H	α-helix	trans	-55.9	-40	171.7	-133.8	178.1	-163.7	-160.3	5.5	112	T609 P610 N617	T609-R613 PolarHBondContact O-N 2.92Å; P610-R613 WeakPolarHBondContact O-CB 3.39Å; P610-R613 PolarHBondContact O-N 3.3Å; R613-N617 VanDerWaalsContact O-CB 3.31Å; R613-N617 WeakPolarHBondContact O-CB 3.36Å; R613-N617 PolarHBondContact O-N 3.04Å; R613-N617 PolarHBondContact O-ND2 3Å; R613-N617 PolarHBondContact O-OD1 3.09Å
614	L	77.3	Confident	74.3	Confident	109 Å²	109	65 Å²	65	57%	0.571	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-37.9	173.9	-71.9	166.5	0	0	0	112.7	P610 V611 I612 R618	P610-L614 WeakPolarHBondContact O-CG 3.49Å; P610-L614 PolarHBondContact O-N 3Å; P610-L614 VanDerWaalsContact O-N 3.08Å; V611-L614 WeakPolarHBondContact O-CB 3.45Å; V611-L614 PolarHBondContact O-N 2.79Å; I612-L614 VanDerWaalsContact C-N 3.26Å; I612-L614 PolarHBondContact O-N 3.01Å; L614-R618 WeakPolarHBondContact O-CG 3.41Å; L614-R618 PolarHBondContact O-N 3.35Å; L614-R618 VanDerWaalsContact O-N 3.14Å
615	I	78.8	Confident	74.3	Confident	34 Å²	34	63.1 Å²	63.1	17%	0.174	35%	0.354	C	S	.	.	H	α-helix	trans	-70.2	-46.2	177.5	-62.3	166.9	0	0	0	110.9	V611 I612 N617 R618 L619 F635 E642	V611-I615 PolarHBondContact O-N 3.04Å; I612-I615 PolarHBondContact O-N 2.92Å; I615-N617 VanDerWaalsContact C-N 3.31Å; I615-N617 PolarHBondContact O-N 2.6Å; I615-R618 WeakPolarHBondContact O-CB 3.38Å; I615-R618 PolarHBondContact O-N 3.17Å; I615-R618 VanDerWaalsContact O-N 3.1Å; I615-L619 HydrophobicContact CG2-CD1 4.18Å; I615-L619 PolarHBondContact O-N 3.42Å; I615-F635 HydrophobicContact CB-CZ 4.28Å; I615-F635 HydrophobicContact CD1-CZ 4.39Å; I615-F635 HydrophobicContact CG2-CE2 3.57Å; I615-F635 HydrophobicContact CG2-CZ 3.63Å; I615-E642 HydrophobicContact CG2-CB 3.95Å; I615-E642 HydrophobicContact CG2-CG 3.83Å
616	L	83	Confident	74.7	Confident	7 Å²	7	59.9 Å²	59.9	4%	0.037	34%	0.335	C	S	.	.	H	α-helix	trans	-59.4	-41.5	174.3	-69.1	173.5	0	0	0	111.2	L607 I612 R618 L619 M620 V631 E632 F635	L607-L616 HydrophobicContact CB-CD1 4.4Å; L607-L616 HydrophobicContact CD2-CD1 4.16Å; L607-L616 WeakPolarHBondContact O-CD1 3.4Å; I612-L616 HydrophobicContact CG2-CD1 3.95Å; I612-L616 HydrophobicContact CG2-CG 4.1Å; I612-L616 WeakPolarHBondContact O-CG 3.34Å; I612-L616 PolarHBondContact O-N 3.01Å; L616-R618 VanDerWaalsContact C-N 3.32Å; L616-R618 PolarHBondContact O-N 3.06Å; L616-L619 PolarHBondContact O-N 3.28Å; L616-M620 WeakPolarHBondContact O-CB 3.43Å; L616-M620 VanDerWaalsContact O-CG 3.31Å; L616-M620 WeakPolarHBondContact O-CG 3.26Å; L616-M620 PolarHBondContact O-N 3.03Å; L616-V631 HydrophobicContact CD2-CG1 4.19Å; L616-E632 HydrophobicContact CD1-CG 4.1Å; L616-E632 HydrophobicContact CD2-CG 4.02Å; L616-F635 HydrophobicContact CD2-CB 4.32Å; L616-F635 HydrophobicContact CD2-CD1 4.05Å; L616-F635 HydrophobicContact CD2-CG 4.24Å
617	N	80.4	Confident	75.1	Confident	103 Å²	103	65.7 Å²	65.7	55%	0.551	36%	0.359	S	S	*	.	H	α-helix	trans	-62.8	-34.6	174.9	-74	-11.4	0	0	0	113	R613 I615 S621	R613-N617 VanDerWaalsContact O-CB 3.31Å; R613-N617 WeakPolarHBondContact O-CB 3.36Å; R613-N617 PolarHBondContact O-N 3.04Å; R613-N617 PolarHBondContact O-ND2 3Å; R613-N617 PolarHBondContact O-OD1 3.09Å; I615-N617 VanDerWaalsContact C-N 3.31Å; I615-N617 PolarHBondContact O-N 2.6Å; N617-S621 WeakPolarHBondContact O-CB 3.22Å; N617-S621 PolarHBondContact O-N 3Å; N617-S621 VanDerWaalsContact O-N 3.08Å; N617-S621 PolarHBondContact O-OG 2.96Å
618	R	83.8	Confident	75.7	Confident	133 Å²	133	70 Å²	70	50%	0.502	38%	0.378	S	S	.	.	H	α-helix	trans	-67.4	-42.6	171.5	-69.1	170	-173	168.6	2.8	112.1	L614 I615 L616 S621 K622 E642	L614-R618 WeakPolarHBondContact O-CG 3.41Å; L614-R618 PolarHBondContact O-N 3.35Å; L614-R618 VanDerWaalsContact O-N 3.14Å; I615-R618 WeakPolarHBondContact O-CB 3.38Å; I615-R618 PolarHBondContact O-N 3.17Å; I615-R618 VanDerWaalsContact O-N 3.1Å; L616-R618 VanDerWaalsContact C-N 3.32Å; L616-R618 PolarHBondContact O-N 3.06Å; R618-S621 PolarHBondContact O-N 3.02Å; R618-S621 PolarHBondContact O-OG 3.11Å; R618-K622 WeakPolarHBondContact O-CG 3.48Å; R618-K622 PolarHBondContact O-N 3.06Å; R618-E642 IonicContact NH1-OE2 2.71Å; R618-E642 PolarHBondContact NH1-OE2 2.82Å
619	L	82.5	Confident	76.2	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-65.9	-45.4	177.8	-70.3	165.8	0	0	0	110.9	I615 L616 S621 K622 F623 V631 F635 E642 T645 E646	I615-L619 HydrophobicContact CG2-CD1 4.18Å; I615-L619 PolarHBondContact O-N 3.42Å; L616-L619 PolarHBondContact O-N 3.28Å; L619-S621 VanDerWaalsContact C-N 3.3Å; L619-S621 PolarHBondContact O-N 3.24Å; L619-K622 WeakPolarHBondContact O-CB 3.26Å; L619-K622 PolarHBondContact O-N 2.88Å; L619-K622 VanDerWaalsContact O-N 3.09Å; L619-F623 WeakPolarHBondContact O-CD2 3.15Å; L619-F623 PolarHBondContact O-N 3.14Å; L619-F623 VanDerWaalsContact O-N 3.07Å; L619-V631 HydrophobicContact CB-CG1 3.6Å; L619-V631 HydrophobicContact CD1-CG1 4.17Å; L619-F635 HydrophobicContact CD1-CD2 3.76Å; L619-F635 HydrophobicContact CD1-CE2 4.21Å; L619-F635 HydrophobicContact CD1-CG 4.43Å; L619-E642 HydrophobicContact CD2-CG 4.15Å; L619-E642 HydrophobicContact CG-CG 4.27Å; L619-T645 HydrophobicContact CD1-CG2 3.74Å; L619-T645 HydrophobicContact CD2-CG2 4.13Å; L619-E646 HydrophobicContact CD2-CB 4.4Å
620	M	80.2	Confident	76.6	Confident	57 Å²	57	70.9 Å²	70.9	28%	0.281	38%	0.383	S	S	.	.	H	α-helix	trans	-63	-33.1	176.3	-66.1	-143	75.6	0	0	112.9	L616 K622 F623 T626 K628 V631	L616-M620 WeakPolarHBondContact O-CB 3.43Å; L616-M620 VanDerWaalsContact O-CG 3.31Å; L616-M620 WeakPolarHBondContact O-CG 3.26Å; L616-M620 PolarHBondContact O-N 3.03Å; M620-K622 VanDerWaalsContact C-N 3.32Å; M620-F623 CarbonylContact O-C 3.57Å; M620-F623 PolarHBondContact O-N 3.48Å; M620-T626 WeakPolarHBondContact CE-O 3.46Å; M620-K628 HydrophobicContact CE-CB 4.14Å; M620-K628 HydrophobicContact SD-CB 3.85Å; M620-K628 HydrophobicContact SD-CG 4Å; M620-V631 HydrophobicContact CE-CG2 4.5Å; M620-V631 HydrophobicContact CG-CG1 4.38Å; M620-V631 HydrophobicContact CG-CG2 4.3Å
621	S	81.9	Confident	77.3	Confident	93 Å²	93	66.5 Å²	66.5	65%	0.65	36%	0.355	S	S	*	.	H	α-helix	trans	-72	-24	174.6	74.9	0	0	0	0	113.8	N617 R618 L619	N617-S621 WeakPolarHBondContact O-CB 3.22Å; N617-S621 PolarHBondContact O-N 3Å; N617-S621 VanDerWaalsContact O-N 3.08Å; N617-S621 PolarHBondContact O-OG 2.96Å; R618-S621 PolarHBondContact O-N 3.02Å; R618-S621 PolarHBondContact O-OG 3.11Å; L619-S621 VanDerWaalsContact C-N 3.3Å; L619-S621 PolarHBondContact O-N 3.24Å
622	K	79.4	Confident	78.1	Confident	78 Å²	78	64.2 Å²	64.2	34%	0.339	34%	0.339	S	S	.	.	H	α-helix	trans	-80.1	-29.5	172.4	-71.8	169.4	169.9	179.5	0	113.6	R618 L619 M620 P624 E642 E646	R618-K622 WeakPolarHBondContact O-CG 3.48Å; R618-K622 PolarHBondContact O-N 3.06Å; L619-K622 WeakPolarHBondContact O-CB 3.26Å; L619-K622 PolarHBondContact O-N 2.88Å; L619-K622 VanDerWaalsContact O-N 3.09Å; M620-K622 VanDerWaalsContact C-N 3.32Å; K622-P624 WeakPolarHBondContact O-CD 3.49Å; K622-E642 IonicContact NZ-OE1 3.16Å; K622-E646 WeakPolarHBondContact CD-OE1 3.31Å; K622-E646 VanDerWaalsContact CE-OE1 3.28Å; K622-E646 WeakPolarHBondContact CE-OE1 3.45Å; K622-E646 IonicContact NZ-OE1 3.92Å; K622-E646 PolarHBondContact NZ-OE1 3.22Å; K622-E646 VanDerWaalsContact NZ-OE1 3.16Å; K622-E646 IonicContact NZ-OE2 3.53Å; K622-E646 PolarHBondContact NZ-OE2 3.16Å
623	F	77.8	Confident	78.3	Confident	12 Å²	12	66.1 Å²	66.1	5%	0.053	35%	0.348	C	S	.	.	S	Bend	trans	-121.9	58.1	-174.9	-60.9	-79.3	0	0	0	113.6	L619 M620 G625 T626 E646 L649 L650	L619-F623 WeakPolarHBondContact O-CD2 3.15Å; L619-F623 PolarHBondContact O-N 3.14Å; L619-F623 VanDerWaalsContact O-N 3.07Å; M620-F623 CarbonylContact O-C 3.57Å; M620-F623 PolarHBondContact O-N 3.48Å; F623-G625 PolarHBondContact O-N 3.39Å; F623-T626 WeakPolarHBondContact O-CB 3.46Å; F623-T626 PolarHBondContact O-N 2.96Å; F623-T626 PolarHBondContact O-OG1 3.39Å; F623-E646 HydrophobicContact CE2-CB 4.4Å; F623-E646 HydrophobicContact CE2-CG 4.18Å; F623-E646 HydrophobicContact CZ-CG 4.03Å; F623-E646 WeakPolarHBondContact CZ-O 3.41Å; F623-L649 HydrophobicContact CD1-CB 4.03Å; F623-L649 HydrophobicContact CD2-CB 4.07Å; F623-L649 HydrophobicContact CD2-CD1 3.56Å; F623-L649 HydrophobicContact CD2-CG 4.45Å; F623-L649 HydrophobicContact CE1-CB 3.73Å; F623-L649 HydrophobicContact CE2-CB 3.79Å; F623-L649 HydrophobicContact CE2-CD1 3.73Å; F623-L649 HydrophobicContact CE2-CG 4.42Å; F623-L649 HydrophobicContact CG-CB 4.2Å; F623-L649 HydrophobicContact CG-CD1 4.17Å; F623-L649 HydrophobicContact CZ-CB 3.61Å; F623-L649 HydrophobicContact CZ-CD1 4.43Å; F623-L650 HydrophobicContact CE1-CD2 4.04Å; F623-L650 HydrophobicContact CE1-CG 3.87Å; F623-L650 HydrophobicContact CZ-CD2 4.47Å; F623-L650 HydrophobicContact CZ-CG 3.9Å
624	P	68.4	Low	78.5	Confident	89 Å²	89	59 Å²	59	58%	0.578	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	130.9	-179.8	26.3	-35.2	0	0	0	111.5	K622	K622-P624 WeakPolarHBondContact O-CD 3.49Å
625	G	68.1	Low	78.9	Confident	82 Å²	82	53.9 Å²	53.9	85%	0.845	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-10.2	-174.9	0	0	0	0	0	114.9	F623	F623-G625 PolarHBondContact O-N 3.39Å
626	T	73.6	Confident	78.9	Confident	24 Å²	24	52.9 Å²	52.9	15%	0.147	29%	0.29	C	S	.	.	S	Bend	trans	-79.2	134.1	169.3	-51.1	0	0	0	0	109.5	M620 F623 V630 V631 L649	M620-T626 WeakPolarHBondContact CE-O 3.46Å; F623-T626 WeakPolarHBondContact O-CB 3.46Å; F623-T626 PolarHBondContact O-N 2.96Å; F623-T626 PolarHBondContact O-OG1 3.39Å; T626-V630 HydrophobicContact CG2-CB 3.88Å; T626-V630 HydrophobicContact CG2-CG1 3.61Å; T626-V631 HydrophobicContact CG2-CG2 3.77Å; T626-L649 HydrophobicContact CG2-CD2 4.37Å
627	Q	74.5	Confident	78.5	Confident	141 Å²	141	55.9 Å²	55.9	66%	0.659	30%	0.301	S	S	*	.			trans	-67	143.7	177.6	-67.6	-176.9	-8.3	0	0	111	N629 V630 V631	Q627-N629 VanDerWaalsContact C-N 3.27Å; Q627-N629 PolarHBondContact O-N 3.49Å; Q627-V630 HydrophobicContact CB-CG2 4.35Å; Q627-V630 WeakPolarHBondContact O-CB 3.46Å; Q627-V630 PolarHBondContact O-N 2.87Å; Q627-V631 PolarHBondContact O-N 3.03Å
628	K	81.8	Confident	78.5	Confident	95 Å²	95	51.4 Å²	51.4	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-51.1	-46.8	-180	-176.8	171.8	177.6	-75	0	111.9	M620 V630 V631 E632	M620-K628 HydrophobicContact CE-CB 4.14Å; M620-K628 HydrophobicContact SD-CB 3.85Å; M620-K628 HydrophobicContact SD-CG 4Å; K628-V630 VanDerWaalsContact C-N 3.26Å; K628-V630 PolarHBondContact O-N 3.33Å; K628-V631 WeakPolarHBondContact O-CB 3.4Å; K628-V631 PolarHBondContact O-N 2.99Å; K628-E632 HydrophobicContact CG-CG 4.41Å; K628-E632 IonicContact NZ-OE1 2.73Å; K628-E632 PolarHBondContact NZ-OE1 3.14Å; K628-E632 IonicContact NZ-OE2 3.34Å; K628-E632 WeakPolarHBondContact O-CG 3.4Å; K628-E632 PolarHBondContact O-N 3.48Å
629	N	77	Confident	78.2	Confident	96 Å²	96	51.4 Å²	51.4	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-55.2	-38	178.1	-51.6	24.7	0	0	0	112.8	Q627 E632 E633	Q627-N629 VanDerWaalsContact C-N 3.27Å; Q627-N629 PolarHBondContact O-N 3.49Å; N629-E632 PolarHBondContact O-N 2.7Å; N629-E633 VanDerWaalsContact O-CB 3.22Å; N629-E633 WeakPolarHBondContact O-CB 3.49Å; N629-E633 PolarHBondContact O-N 2.91Å
630	V	78.9	Confident	77.9	Confident	24 Å²	24	54.1 Å²	54.1	15%	0.145	30%	0.295	C	S	.	.	H	α-helix	trans	-73.4	-35.1	179	170.2	0	0	0	0	111.4	T626 Q627 K628 A634 L649 Y653	T626-V630 HydrophobicContact CG2-CB 3.88Å; T626-V630 HydrophobicContact CG2-CG1 3.61Å; Q627-V630 HydrophobicContact CB-CG2 4.35Å; Q627-V630 WeakPolarHBondContact O-CB 3.46Å; Q627-V630 PolarHBondContact O-N 2.87Å; K628-V630 VanDerWaalsContact C-N 3.26Å; K628-V630 PolarHBondContact O-N 3.33Å; V630-A634 WeakPolarHBondContact O-CB 3.49Å; V630-A634 PolarHBondContact O-N 3.41Å; V630-L649 HydrophobicContact CG1-CD2 4.28Å; V630-Y653 HydrophobicContact CG1-CD1 3.94Å; V630-Y653 HydrophobicContact CG1-CD2 4.04Å; V630-Y653 HydrophobicContact CG1-CE1 3.49Å; V630-Y653 VanDerWaalsContact CG1-CE1 3.49Å; V630-Y653 HydrophobicContact CG1-CE2 3.62Å; V630-Y653 HydrophobicContact CG1-CG 4.19Å; V630-Y653 HydrophobicContact CG2-CE1 4.47Å
631	V	82.5	Confident	77.8	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.4	-38.9	173.2	-179.7	0	0	0	0	110.4	L616 L619 M620 T626 Q627 K628 F635 L649	L616-V631 HydrophobicContact CD2-CG1 4.19Å; L619-V631 HydrophobicContact CB-CG1 3.6Å; L619-V631 HydrophobicContact CD1-CG1 4.17Å; M620-V631 HydrophobicContact CE-CG2 4.5Å; M620-V631 HydrophobicContact CG-CG1 4.38Å; M620-V631 HydrophobicContact CG-CG2 4.3Å; T626-V631 HydrophobicContact CG2-CG2 3.77Å; Q627-V631 PolarHBondContact O-N 3.03Å; K628-V631 WeakPolarHBondContact O-CB 3.4Å; K628-V631 PolarHBondContact O-N 2.99Å; V631-F635 VanDerWaalsContact O-CB 3.25Å; V631-F635 WeakPolarHBondContact O-CB 3.44Å; V631-F635 PolarHBondContact O-N 2.87Å; V631-L649 HydrophobicContact CG1-CD1 4.26Å; V631-L649 HydrophobicContact CG2-CD1 4.25Å
632	E	81.6	Confident	77.8	Confident	16 Å²	16	51.8 Å²	51.8	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-47.7	175.2	-71.3	172.3	145	0	0	112.2	L607 L616 K628 N629 A634 F635 V636	L607-E632 HydrophobicContact CD1-CB 3.91Å; L607-E632 HydrophobicContact CD1-CG 4.09Å; L607-E632 HydrophobicContact CD2-CG 4.4Å; L616-E632 HydrophobicContact CD1-CG 4.1Å; L616-E632 HydrophobicContact CD2-CG 4.02Å; K628-E632 HydrophobicContact CG-CG 4.41Å; K628-E632 IonicContact NZ-OE1 2.73Å; K628-E632 PolarHBondContact NZ-OE1 3.14Å; K628-E632 IonicContact NZ-OE2 3.34Å; K628-E632 WeakPolarHBondContact O-CG 3.4Å; K628-E632 PolarHBondContact O-N 3.48Å; N629-E632 PolarHBondContact O-N 2.7Å; E632-A634 VanDerWaalsContact C-N 3.31Å; E632-A634 PolarHBondContact O-N 2.92Å; E632-F635 PolarHBondContact O-N 3.36Å; E632-F635 VanDerWaalsContact O-N 3.12Å; E632-V636 WeakPolarHBondContact O-CG2 3.4Å; E632-V636 PolarHBondContact O-N 2.93Å
633	E	77.7	Confident	77.8	Confident	47 Å²	47	51 Å²	51	22%	0.22	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-41.2	174.7	-170.8	-167.7	171.8	0	0	111.4	V600 N629 R637	V600-E633 HydrophobicContact CG2-CG 4.29Å; N629-E633 VanDerWaalsContact O-CB 3.22Å; N629-E633 WeakPolarHBondContact O-CB 3.49Å; N629-E633 PolarHBondContact O-N 2.91Å; E633-R637 WeakPolarHBondContact O-CB 3.43Å; E633-R637 WeakPolarHBondContact O-CG 3.31Å; E633-R637 PolarHBondContact O-N 2.98Å; E633-R637 IonicContact OE1-CZ 2.69Å; E633-R637 IonicContact OE1-NH1 2.73Å; E633-R637 PolarHBondContact OE1-NH1 3.02Å; E633-R637 IonicContact OE1-NH2 2.82Å; E633-R637 PolarHBondContact OE1-NH2 3.39Å; E633-R637 IonicContact OE2-NH1 3.69Å
634	A	80.3	Confident	77.8	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-40.3	172.8	0	0	0	0	0	112.7	V630 E632 R637 C638 T645 Y648 L649	V630-A634 WeakPolarHBondContact O-CB 3.49Å; V630-A634 PolarHBondContact O-N 3.41Å; E632-A634 VanDerWaalsContact C-N 3.31Å; E632-A634 PolarHBondContact O-N 2.92Å; A634-R637 PolarHBondContact O-N 3.38Å; A634-C638 VanDerWaalsContact O-CB 3.25Å; A634-C638 WeakPolarHBondContact O-CB 3.33Å; A634-C638 PolarHBondContact O-N 2.82Å; A634-C638 PolarHBondContact O-SG 3.3Å; A634-T645 HydrophobicContact CB-CG2 3.95Å; A634-Y648 HydrophobicContact CB-CD1 3.52Å; A634-Y648 HydrophobicContact CB-CE1 3.88Å; A634-L649 HydrophobicContact CB-CD1 4.44Å; A634-L649 HydrophobicContact CB-CD2 3.66Å; A634-L649 HydrophobicContact CB-CG 3.9Å
635	F	84.5	Confident	78.4	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-39.8	-179.7	-168	-123.6	0	0	0	111.6	L607 I612 I615 L616 L619 V631 E632 C638 E639 F640 T645	L607-F635 HydrophobicContact CD2-CD1 3.83Å; L607-F635 HydrophobicContact CD2-CE1 4.44Å; I612-F635 HydrophobicContact CG1-CE1 4.48Å; I612-F635 HydrophobicContact CG2-CD1 4.42Å; I612-F635 HydrophobicContact CG2-CE1 3.71Å; I615-F635 HydrophobicContact CB-CZ 4.28Å; I615-F635 HydrophobicContact CD1-CZ 4.39Å; I615-F635 HydrophobicContact CG2-CE2 3.57Å; I615-F635 HydrophobicContact CG2-CZ 3.63Å; L616-F635 HydrophobicContact CD2-CB 4.32Å; L616-F635 HydrophobicContact CD2-CD1 4.05Å; L616-F635 HydrophobicContact CD2-CG 4.24Å; L619-F635 HydrophobicContact CD1-CD2 3.76Å; L619-F635 HydrophobicContact CD1-CE2 4.21Å; L619-F635 HydrophobicContact CD1-CG 4.43Å; V631-F635 VanDerWaalsContact O-CB 3.25Å; V631-F635 WeakPolarHBondContact O-CB 3.44Å; V631-F635 PolarHBondContact O-N 2.87Å; E632-F635 PolarHBondContact O-N 3.36Å; E632-F635 VanDerWaalsContact O-N 3.12Å; F635-C638 CarbonylContact O-C 3.58Å; F635-C638 PolarHBondContact O-N 2.84Å; F635-E639 PolarHBondContact O-N 3.09Å; F635-F640 AromaticContact CD1-CD1 3.75Å; F635-F640 HydrophobicContact CD1-CD1 3.75Å; F635-F640 HydrophobicContact CD1-CE1 4.21Å; F635-F640 HydrophobicContact CE1-CB 4.19Å; F635-F640 AromaticContact CE1-CD1 3.46Å; F635-F640 HydrophobicContact CE1-CD1 3.46Å; F635-F640 VanDerWaalsContact CE1-CD1 3.46Å; F635-F640 HydrophobicContact CE1-CE1 4.24Å; F635-F640 HydrophobicContact CE1-CG 4.28Å; F635-F640 WeakPolarHBondContact CE2-O 3.45Å; F635-F640 HydrophobicContact CZ-CB 4.05Å; F635-F640 HydrophobicContact CZ-CD1 4.17Å; F635-F640 WeakPolarHBondContact CZ-O 3.26Å; F635-F640 PolarHBondContact O-N 2.73Å; F635-T645 WeakPolarHBondContact CA-OG1 3.36Å; F635-T645 HydrophobicContact CB-CG2 4.04Å; F635-T645 HydrophobicContact CD2-CG2 4.16Å; F635-T645 WeakPolarHBondContact CD2-OG1 3.46Å
636	V	78.3	Confident	79.1	Confident	13 Å²	13	50.8 Å²	50.8	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-70.4	-44.2	172.7	176.4	0	0	0	0	111.5	V600 F603 L607 E632 C638 E639 F640	V600-V636 HydrophobicContact CG2-CB 3.96Å; V600-V636 HydrophobicContact CG2-CG1 3.89Å; V600-V636 HydrophobicContact CG2-CG2 4.36Å; F603-V636 HydrophobicContact CB-CG2 4.49Å; F603-V636 HydrophobicContact CD2-CG1 4.12Å; L607-V636 HydrophobicContact CD1-CG2 4.35Å; L607-V636 HydrophobicContact CD2-CG2 4.49Å; E632-V636 WeakPolarHBondContact O-CG2 3.4Å; E632-V636 PolarHBondContact O-N 2.93Å; V636-C638 PolarHBondContact O-N 2.96Å; V636-E639 PolarHBondContact O-N 3.27Å; V636-E639 VanDerWaalsContact O-N 3.16Å; V636-F640 HydrophobicContact CG2-CE1 4.27Å; V636-F640 HydrophobicContact CG2-CZ 3.95Å
637	R	76.3	Confident	79.4	Confident	69 Å²	69	54 Å²	54	26%	0.26	27%	0.266	S	S	.	.	H	α-helix	trans	-55	-23.3	170.8	-86.5	-170.1	178.7	104.9	11.6	113.1	E593 L596 E633 A634 Y648	E593-R637 IonicContact OE1-NH2 2.8Å; E593-R637 PolarHBondContact OE1-NH2 2.93Å; E593-R637 VanDerWaalsContact OE1-NH2 3.11Å; L596-R637 HydrophobicContact CD1-CB 4.4Å; L596-R637 HydrophobicContact CD1-CG 3.48Å; L596-R637 VanDerWaalsContact CD1-CG 3.48Å; L596-R637 HydrophobicContact CD2-CG 3.55Å; L596-R637 HydrophobicContact CG-CG 4.1Å; E633-R637 WeakPolarHBondContact O-CB 3.43Å; E633-R637 WeakPolarHBondContact O-CG 3.31Å; E633-R637 PolarHBondContact O-N 2.98Å; E633-R637 IonicContact OE1-CZ 2.69Å; E633-R637 IonicContact OE1-NH1 2.73Å; E633-R637 PolarHBondContact OE1-NH1 3.02Å; E633-R637 IonicContact OE1-NH2 2.82Å; E633-R637 PolarHBondContact OE1-NH2 3.39Å; E633-R637 IonicContact OE2-NH1 3.69Å; A634-R637 PolarHBondContact O-N 3.38Å; R637-Y648 VanDerWaalsContact CD-CZ 3.47Å; R637-Y648 WeakPolarHBondContact CD-OH 3.43Å; R637-Y648 PolarHBondContact NE-OH 3.02Å; R637-Y648 PolarHBondContact NH1-OH 3.25Å; R637-Y648 VanDerWaalsContact NH1-OH 3.13Å
638	C	79.8	Confident	79.6	Confident	9 Å²	9	49.3 Å²	49.3	6%	0.061	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	15.4	-176.2	-69.1	0	0	0	0	114.4	A634 F635 V636 F640 D641 R644 T645	A634-C638 VanDerWaalsContact O-CB 3.25Å; A634-C638 WeakPolarHBondContact O-CB 3.33Å; A634-C638 PolarHBondContact O-N 2.82Å; A634-C638 PolarHBondContact O-SG 3.3Å; F635-C638 CarbonylContact O-C 3.58Å; F635-C638 PolarHBondContact O-N 2.84Å; V636-C638 PolarHBondContact O-N 2.96Å; C638-F640 VanDerWaalsContact C-N 3.29Å; C638-F640 PolarHBondContact O-N 3.24Å; C638-D641 VanDerWaalsContact O-CB 3.26Å; C638-D641 WeakPolarHBondContact O-CB 3.31Å; C638-D641 PolarHBondContact O-N 3.05Å; C638-R644 HydrophobicContact CB-CB 3.78Å; C638-T645 VanDerWaalsContact CB-OG1 3.26Å; C638-T645 WeakPolarHBondContact CB-OG1 3.4Å
639	E	77.1	Confident	79.5	Confident	134 Å²	134	44.8 Å²	44.8	63%	0.626	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	36.4	178.7	-51.7	175.5	157.2	0	0	113.1	F635 V636 D641 R644	F635-E639 PolarHBondContact O-N 3.09Å; V636-E639 PolarHBondContact O-N 3.27Å; V636-E639 VanDerWaalsContact O-N 3.16Å; E639-D641 PolarHBondContact O-N 3.43Å; E639-R644 IonicContact OE2-CZ 2.97Å; E639-R644 VanDerWaalsContact OE2-CZ 3.26Å; E639-R644 IonicContact OE2-NH1 2.72Å; E639-R644 PolarHBondContact OE2-NH1 3Å; E639-R644 IonicContact OE2-NH2 2.68Å; E639-R644 PolarHBondContact OE2-NH2 3.45Å
640	F	75.4	Confident	79.5	Confident	57 Å²	57	44.6 Å²	44.6	25%	0.25	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	13	-178.7	-56	-91.8	0	0	0	115.1	F603 L607 F635 V636 C638 E642	F603-F640 HydrophobicContact CB-CE1 4.34Å; F603-F640 HydrophobicContact CB-CZ 3.7Å; F603-F640 HydrophobicContact CD1-CE2 4.19Å; F603-F640 AromaticContact CD1-CZ 3.81Å; F603-F640 HydrophobicContact CD1-CZ 3.81Å; F603-F640 AromaticContact CD2-CE2 3.82Å; F603-F640 HydrophobicContact CD2-CE2 3.82Å; F603-F640 AromaticContact CD2-CZ 3.55Å; F603-F640 HydrophobicContact CD2-CZ 3.55Å; F603-F640 HydrophobicContact CE1-CE2 4.19Å; F603-F640 HydrophobicContact CE1-CZ 4.28Å; F603-F640 AromaticContact CE2-CE2 3.83Å; F603-F640 HydrophobicContact CE2-CE2 3.83Å; F603-F640 HydrophobicContact CE2-CZ 4.06Å; F603-F640 HydrophobicContact CG-CE1 4.44Å; F603-F640 HydrophobicContact CG-CE2 4.02Å; F603-F640 AromaticContact CG-CZ 3.43Å; F603-F640 HydrophobicContact CG-CZ 3.43Å; F603-F640 VanDerWaalsContact CG-CZ 3.43Å; F603-F640 HydrophobicContact CZ-CE2 4.02Å; F603-F640 HydrophobicContact CZ-CZ 4.4Å; L607-F640 HydrophobicContact CD2-CE1 4.24Å; F635-F640 AromaticContact CD1-CD1 3.75Å; F635-F640 HydrophobicContact CD1-CD1 3.75Å; F635-F640 HydrophobicContact CD1-CE1 4.21Å; F635-F640 HydrophobicContact CE1-CB 4.19Å; F635-F640 AromaticContact CE1-CD1 3.46Å; F635-F640 HydrophobicContact CE1-CD1 3.46Å; F635-F640 VanDerWaalsContact CE1-CD1 3.46Å; F635-F640 HydrophobicContact CE1-CE1 4.24Å; F635-F640 HydrophobicContact CE1-CG 4.28Å; F635-F640 WeakPolarHBondContact CE2-O 3.45Å; F635-F640 HydrophobicContact CZ-CB 4.05Å; F635-F640 HydrophobicContact CZ-CD1 4.17Å; F635-F640 WeakPolarHBondContact CZ-O 3.26Å; F635-F640 PolarHBondContact O-N 2.73Å; V636-F640 HydrophobicContact CG2-CE1 4.27Å; V636-F640 HydrophobicContact CG2-CZ 3.95Å; C638-F640 VanDerWaalsContact C-N 3.29Å; C638-F640 PolarHBondContact O-N 3.24Å; F640-E642 PolarHBondContact O-N 2.8Å
641	D	79.8	Confident	79.3	Confident	53 Å²	53	47.8 Å²	47.8	28%	0.283	24%	0.241	S	C	.	.			trans	-81.8	108.4	177.5	-176.1	-37.7	0	0	0	110.8	C638 E639 A643 R644 T645	C638-D641 VanDerWaalsContact O-CB 3.26Å; C638-D641 WeakPolarHBondContact O-CB 3.31Å; C638-D641 PolarHBondContact O-N 3.05Å; E639-D641 PolarHBondContact O-N 3.43Å; D641-A643 PolarHBondContact O-N 3.32Å; D641-A643 WeakPolarHBondContact OD1-CA 3.37Å; D641-A643 WeakPolarHBondContact OD1-CB 3.39Å; D641-A643 PolarHBondContact OD1-N 3.45Å; D641-R644 HydrophobicContact CB-CB 3.97Å; D641-R644 HydrophobicContact CB-CG 3.98Å; D641-R644 PolarHBondContact O-N 3.26Å; D641-R644 PolarHBondContact OD1-N 3.2Å; D641-R644 WeakPolarHBondContact OD2-CG 3.46Å; D641-R644 IonicContact OD2-CZ 3.21Å; D641-R644 IonicContact OD2-NE 3.83Å; D641-R644 PolarHBondContact OD2-NE 3.41Å; D641-R644 IonicContact OD2-NH2 3.71Å; D641-T645 WeakPolarHBondContact O-CB 3.37Å; D641-T645 PolarHBondContact O-N 2.87Å; D641-T645 PolarHBondContact O-OG1 3.33Å
642	E	82.2	Confident	78.4	Confident	48 Å²	48	55.2 Å²	55.2	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-53	-38.1	179.7	-170.4	-176.8	150.2	0	0	111.7	I615 R618 L619 K622 F640 E646	I615-E642 HydrophobicContact CG2-CB 3.95Å; I615-E642 HydrophobicContact CG2-CG 3.83Å; R618-E642 IonicContact NH1-OE2 2.71Å; R618-E642 PolarHBondContact NH1-OE2 2.82Å; L619-E642 HydrophobicContact CD2-CG 4.15Å; L619-E642 HydrophobicContact CG-CG 4.27Å; K622-E642 IonicContact NZ-OE1 3.16Å; F640-E642 PolarHBondContact O-N 2.8Å; E642-E646 PolarHBondContact O-N 2.76Å; E642-E646 VanDerWaalsContact O-N 3.1Å
643	A	77.7	Confident	77.6	Confident	60 Å²	60	58.4 Å²	58.4	50%	0.496	28%	0.282	S	S	.	.	H	α-helix	trans	-79.2	-39	-175.4	0	0	0	0	0	112.7	D641 T645 V647	D641-A643 PolarHBondContact O-N 3.32Å; D641-A643 WeakPolarHBondContact OD1-CA 3.37Å; D641-A643 WeakPolarHBondContact OD1-CB 3.39Å; D641-A643 PolarHBondContact OD1-N 3.45Å; A643-T645 VanDerWaalsContact C-N 3.31Å; A643-V647 WeakPolarHBondContact O-CG2 3.25Å; A643-V647 PolarHBondContact O-N 2.87Å
644	R	77.7	Confident	76	Confident	119 Å²	119	63.2 Å²	63.2	45%	0.449	30%	0.303	S	S	.	.	H	α-helix	trans	-64.1	-39.3	170.7	-69.8	-176.3	-136	-179.7	15.9	111.4	C638 E639 D641 E646 V647 Y648	C638-R644 HydrophobicContact CB-CB 3.78Å; E639-R644 IonicContact OE2-CZ 2.97Å; E639-R644 VanDerWaalsContact OE2-CZ 3.26Å; E639-R644 IonicContact OE2-NH1 2.72Å; E639-R644 PolarHBondContact OE2-NH1 3Å; E639-R644 IonicContact OE2-NH2 2.68Å; E639-R644 PolarHBondContact OE2-NH2 3.45Å; D641-R644 HydrophobicContact CB-CB 3.97Å; D641-R644 HydrophobicContact CB-CG 3.98Å; D641-R644 PolarHBondContact O-N 3.26Å; D641-R644 PolarHBondContact OD1-N 3.2Å; D641-R644 WeakPolarHBondContact OD2-CG 3.46Å; D641-R644 IonicContact OD2-CZ 3.21Å; D641-R644 IonicContact OD2-NE 3.83Å; D641-R644 PolarHBondContact OD2-NE 3.41Å; D641-R644 IonicContact OD2-NH2 3.71Å; R644-E646 PolarHBondContact O-N 3.41Å; R644-V647 PolarHBondContact O-N 2.83Å; R644-V647 VanDerWaalsContact O-N 3.16Å; R644-Y648 PolarHBondContact O-N 3.09Å
645	T	82.7	Confident	73.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.7	-43.4	179.6	-52.7	0	0	0	0	111.6	L619 A634 F635 C638 D641 A643 V647 Y648 L649	L619-T645 HydrophobicContact CD1-CG2 3.74Å; L619-T645 HydrophobicContact CD2-CG2 4.13Å; A634-T645 HydrophobicContact CB-CG2 3.95Å; F635-T645 WeakPolarHBondContact CA-OG1 3.36Å; F635-T645 HydrophobicContact CB-CG2 4.04Å; F635-T645 HydrophobicContact CD2-CG2 4.16Å; F635-T645 WeakPolarHBondContact CD2-OG1 3.46Å; C638-T645 VanDerWaalsContact CB-OG1 3.26Å; C638-T645 WeakPolarHBondContact CB-OG1 3.4Å; D641-T645 WeakPolarHBondContact O-CB 3.37Å; D641-T645 PolarHBondContact O-N 2.87Å; D641-T645 PolarHBondContact O-OG1 3.33Å; A643-T645 VanDerWaalsContact C-N 3.31Å; T645-V647 VanDerWaalsContact C-N 3.35Å; T645-V647 PolarHBondContact O-N 2.82Å; T645-Y648 PolarHBondContact O-N 3.02Å; T645-L649 HydrophobicContact CG2-CD1 4.06Å; T645-L649 HydrophobicContact CG2-CG 4.49Å; T645-L649 WeakPolarHBondContact O-CB 3.43Å; T645-L649 WeakPolarHBondContact O-CG 3.19Å; T645-L649 PolarHBondContact O-N 3.27Å
646	E	82.8	Confident	71.7	Confident	61 Å²	61	72.3 Å²	72.3	29%	0.285	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-42.6	172.6	-178.8	167.6	-155.4	0	0	112.2	L619 K622 F623 E642 R644 L650	L619-E646 HydrophobicContact CD2-CB 4.4Å; K622-E646 WeakPolarHBondContact CD-OE1 3.31Å; K622-E646 VanDerWaalsContact CE-OE1 3.28Å; K622-E646 WeakPolarHBondContact CE-OE1 3.45Å; K622-E646 IonicContact NZ-OE1 3.92Å; K622-E646 PolarHBondContact NZ-OE1 3.22Å; K622-E646 VanDerWaalsContact NZ-OE1 3.16Å; K622-E646 IonicContact NZ-OE2 3.53Å; K622-E646 PolarHBondContact NZ-OE2 3.16Å; F623-E646 HydrophobicContact CE2-CB 4.4Å; F623-E646 HydrophobicContact CE2-CG 4.18Å; F623-E646 HydrophobicContact CZ-CG 4.03Å; F623-E646 WeakPolarHBondContact CZ-O 3.41Å; E642-E646 PolarHBondContact O-N 2.76Å; E642-E646 VanDerWaalsContact O-N 3.1Å; R644-E646 PolarHBondContact O-N 3.41Å; E646-L650 HydrophobicContact CG-CD1 4.22Å; E646-L650 WeakPolarHBondContact O-CB 3.45Å; E646-L650 WeakPolarHBondContact O-CD1 3.35Å; E646-L650 VanDerWaalsContact O-CG 3.27Å; E646-L650 WeakPolarHBondContact O-CG 3.44Å; E646-L650 PolarHBondContact O-N 3.05Å
647	V	79.2	Confident	69.8	Low	90 Å²	90	76.7 Å²	76.7	55%	0.545	38%	0.384	S	S	.	.	H	α-helix	trans	-66.6	-39.5	175.4	172.8	0	0	0	0	112.3	A643 R644 T645 T651	A643-V647 WeakPolarHBondContact O-CG2 3.25Å; A643-V647 PolarHBondContact O-N 2.87Å; R644-V647 PolarHBondContact O-N 2.83Å; R644-V647 VanDerWaalsContact O-N 3.16Å; T645-V647 VanDerWaalsContact C-N 3.35Å; T645-V647 PolarHBondContact O-N 2.82Å; V647-T651 WeakPolarHBondContact O-CB 3.37Å; V647-T651 PolarHBondContact O-N 2.99Å; V647-T651 VanDerWaalsContact O-N 3.11Å; V647-T651 PolarHBondContact O-OG1 3.39Å
648	Y	78.1	Confident	67.7	Low	43 Å²	43	80.4 Å²	80.4	17%	0.169	40%	0.404	C	S	.	.	H	α-helix	trans	-64.2	-49.5	177.5	-178.1	-88	0	0	0	111.3	A634 R637 R644 T645 L650 T651 Y652 Y653	A634-Y648 HydrophobicContact CB-CD1 3.52Å; A634-Y648 HydrophobicContact CB-CE1 3.88Å; R637-Y648 VanDerWaalsContact CD-CZ 3.47Å; R637-Y648 WeakPolarHBondContact CD-OH 3.43Å; R637-Y648 PolarHBondContact NE-OH 3.02Å; R637-Y648 PolarHBondContact NH1-OH 3.25Å; R637-Y648 VanDerWaalsContact NH1-OH 3.13Å; R644-Y648 PolarHBondContact O-N 3.09Å; T645-Y648 PolarHBondContact O-N 3.02Å; Y648-L650 PolarHBondContact O-N 3.29Å; Y648-T651 WeakPolarHBondContact O-CB 2.97Å; Y648-T651 PolarHBondContact O-N 3.2Å; Y648-Y652 HydrophobicContact CD1-CD2 4.29Å; Y648-Y652 AromaticContact CD2-CD2 3.75Å; Y648-Y652 HydrophobicContact CD2-CD2 3.75Å; Y648-Y652 AromaticContact CD2-CE2 3.77Å; Y648-Y652 HydrophobicContact CD2-CE2 3.77Å; Y648-Y652 HydrophobicContact CE1-CD2 4.1Å; Y648-Y652 AromaticContact CE2-CD2 3.51Å; Y648-Y652 HydrophobicContact CE2-CD2 3.51Å; Y648-Y652 AromaticContact CE2-CE2 3.45Å; Y648-Y652 HydrophobicContact CE2-CE2 3.45Å; Y648-Y652 VanDerWaalsContact CE2-CE2 3.45Å; Y648-Y652 HydrophobicContact CE2-CG 4.45Å; Y648-Y652 HydrophobicContact CG-CD2 4.12Å; Y648-Y652 AromaticContact CZ-CD2 3.69Å; Y648-Y652 WeakPolarHBondContact O-CD2 3.16Å; Y648-Y652 PolarHBondContact O-N 3.29Å; Y648-Y653 HydrophobicContact CE1-CE2 4.1Å
649	L	80.5	Confident	65.3	Low	0 Å²	0	84 Å²	84	0%	0	43%	0.429	C	S	.	.	H	α-helix	trans	-61.9	-42.2	178.1	-69.3	171.2	0	0	0	111.8	F623 T626 V630 V631 A634 T645 T651 Y653	F623-L649 HydrophobicContact CD1-CB 4.03Å; F623-L649 HydrophobicContact CD2-CB 4.07Å; F623-L649 HydrophobicContact CD2-CD1 3.56Å; F623-L649 HydrophobicContact CD2-CG 4.45Å; F623-L649 HydrophobicContact CE1-CB 3.73Å; F623-L649 HydrophobicContact CE2-CB 3.79Å; F623-L649 HydrophobicContact CE2-CD1 3.73Å; F623-L649 HydrophobicContact CE2-CG 4.42Å; F623-L649 HydrophobicContact CG-CB 4.2Å; F623-L649 HydrophobicContact CG-CD1 4.17Å; F623-L649 HydrophobicContact CZ-CB 3.61Å; F623-L649 HydrophobicContact CZ-CD1 4.43Å; T626-L649 HydrophobicContact CG2-CD2 4.37Å; V630-L649 HydrophobicContact CG1-CD2 4.28Å; V631-L649 HydrophobicContact CG1-CD1 4.26Å; V631-L649 HydrophobicContact CG2-CD1 4.25Å; A634-L649 HydrophobicContact CB-CD1 4.44Å; A634-L649 HydrophobicContact CB-CD2 3.66Å; A634-L649 HydrophobicContact CB-CG 3.9Å; T645-L649 HydrophobicContact CG2-CD1 4.06Å; T645-L649 HydrophobicContact CG2-CG 4.49Å; T645-L649 WeakPolarHBondContact O-CB 3.43Å; T645-L649 WeakPolarHBondContact O-CG 3.19Å; T645-L649 PolarHBondContact O-N 3.27Å; L649-T651 PolarHBondContact O-N 3.27Å; L649-Y653 HydrophobicContact CD2-CD2 3.87Å; L649-Y653 HydrophobicContact CD2-CE2 4.37Å; L649-Y653 PolarHBondContact O-N 2.88Å
650	L	76.7	Confident	63.1	Low	92 Å²	92	83.7 Å²	83.7	48%	0.482	44%	0.437	S	S	.	.	H	α-helix	trans	-60.4	-25.9	172.1	-80.1	167.8	0	0	0	114.1	F623 E646 Y648	F623-L650 HydrophobicContact CE1-CD2 4.04Å; F623-L650 HydrophobicContact CE1-CG 3.87Å; F623-L650 HydrophobicContact CZ-CD2 4.47Å; F623-L650 HydrophobicContact CZ-CG 3.9Å; E646-L650 HydrophobicContact CG-CD1 4.22Å; E646-L650 WeakPolarHBondContact O-CB 3.45Å; E646-L650 WeakPolarHBondContact O-CD1 3.35Å; E646-L650 VanDerWaalsContact O-CG 3.27Å; E646-L650 WeakPolarHBondContact O-CG 3.44Å; E646-L650 PolarHBondContact O-N 3.05Å; Y648-L650 PolarHBondContact O-N 3.29Å
651	T	73.8	Confident	60.9	Low	91 Å²	91	86.7 Å²	86.7	56%	0.558	46%	0.459	S	S	*	.	H	α-helix	trans	-87.9	-43.2	-176.7	-59.6	0	0	0	0	112.1	V647 Y648 L649	V647-T651 WeakPolarHBondContact O-CB 3.37Å; V647-T651 PolarHBondContact O-N 2.99Å; V647-T651 VanDerWaalsContact O-N 3.11Å; V647-T651 PolarHBondContact O-OG1 3.39Å; Y648-T651 WeakPolarHBondContact O-CB 2.97Å; Y648-T651 PolarHBondContact O-N 3.2Å; L649-T651 PolarHBondContact O-N 3.27Å
652	Y	65.5	Low	58.4	Low	156 Å²	156	92.7 Å²	92.7	61%	0.612	48%	0.483	S	S	*	.	H	α-helix	trans	-99	-31.8	-171.8	-73.1	-82.5	0	0	0	114.5	Y648	Y648-Y652 HydrophobicContact CD1-CD2 4.29Å; Y648-Y652 AromaticContact CD2-CD2 3.75Å; Y648-Y652 HydrophobicContact CD2-CD2 3.75Å; Y648-Y652 AromaticContact CD2-CE2 3.77Å; Y648-Y652 HydrophobicContact CD2-CE2 3.77Å; Y648-Y652 HydrophobicContact CE1-CD2 4.1Å; Y648-Y652 AromaticContact CE2-CD2 3.51Å; Y648-Y652 HydrophobicContact CE2-CD2 3.51Å; Y648-Y652 AromaticContact CE2-CE2 3.45Å; Y648-Y652 HydrophobicContact CE2-CE2 3.45Å; Y648-Y652 VanDerWaalsContact CE2-CE2 3.45Å; Y648-Y652 HydrophobicContact CE2-CG 4.45Å; Y648-Y652 HydrophobicContact CG-CD2 4.12Å; Y648-Y652 AromaticContact CZ-CD2 3.69Å; Y648-Y652 WeakPolarHBondContact O-CD2 3.16Å; Y648-Y652 PolarHBondContact O-N 3.29Å
653	Y	63.3	Low	55.8	Low	83 Å²	83	95.5 Å²	95.5	33%	0.325	51%	0.508	S	S	.	.			trans	-110	31.4	-172.3	-62.7	-87.1	0	0	0	112.6	V630 Y648 L649 S655	V630-Y653 HydrophobicContact CG1-CD1 3.94Å; V630-Y653 HydrophobicContact CG1-CD2 4.04Å; V630-Y653 HydrophobicContact CG1-CE1 3.49Å; V630-Y653 VanDerWaalsContact CG1-CE1 3.49Å; V630-Y653 HydrophobicContact CG1-CE2 3.62Å; V630-Y653 HydrophobicContact CG1-CG 4.19Å; V630-Y653 HydrophobicContact CG2-CE1 4.47Å; Y648-Y653 HydrophobicContact CE1-CE2 4.1Å; L649-Y653 HydrophobicContact CD2-CD2 3.87Å; L649-Y653 HydrophobicContact CD2-CE2 4.37Å; L649-Y653 PolarHBondContact O-N 2.88Å; Y653-S655 PolarHBondContact O-N 2.87Å
654	K	45.2	Very low	53.5	Low	149 Å²	149	99.5 Å²	99.5	65%	0.648	53%	0.526	S	S	*	.			trans	-76.9	68.8	-178.2	-157.8	-169.1	174.2	-163.5	0	113.3	E658	K654-E658 IonicContact NZ-OE1 2.82Å; K654-E658 PolarHBondContact NZ-OE1 3.48Å
655	S	35.7	Very low	51.1	Low	88 Å²	88	100.3 Å²	100.3	62%	0.615	55%	0.545	S	S	*	.			trans	-138.6	151.3	164.6	52.3	0	0	0	0	109.8	Y653	Y653-S655 PolarHBondContact O-N 2.87Å
656	T	38.7	Very low	48.5	Very low	104 Å²	104	106.2 Å²	106.2	64%	0.638	58%	0.581	S	S	*	*	S	Bend	trans	77.5	18.7	173.9	-30	0	0	0	0	118.2
657	I	37.3	Very low	45.8	Very low	104 Å²	104	108.6 Å²	108.6	53%	0.533	60%	0.6	S	S	.	*	S	Bend	trans	-100.5	-15	168.3	-67.9	179.8	0	0	0	113.5
658	E	32.3	Very low	43.3	Very low	148 Å²	148	110.5 Å²	110.5	69%	0.692	61%	0.612	S	S	*	*	S	Bend	trans	-98.7	8.8	-169.8	-64.4	-176	-172.2	0	0	115.8	K654	K654-E658 IonicContact NZ-OE1 2.82Å; K654-E658 PolarHBondContact NZ-OE1 3.48Å
659	S	30.2	Very low	41	Very low	83 Å²	83	113 Å²	113	58%	0.58	64%	0.635	S	S	*	*	S	Bend	trans	-118.2	-10.8	-168.2	54.3	0	0	0	0	118.2
660	V	30.2	Very low	38.5	Very low	129 Å²	129	118.4 Å²	118.4	78%	0.782	67%	0.669	S	S	*	*	S	Bend	trans	-103.5	7.2	-172	-168.3	0	0	0	0	113.6
661	T	29	Very low	36.1	Very low	119 Å²	119	120.5 Å²	120.5	73%	0.73	68%	0.679	S	S	*	*	S	Bend	trans	-108.9	18	-175.1	49.7	0	0	0	0	114.9
662	K	28.1	Very low	34	Very low	179 Å²	179	122 Å²	122	78%	0.778	69%	0.688	S	S	*	*	S	Bend	trans	-142.3	44.1	-169.4	-67.3	-176.5	-179.4	165.3	0	117.1
663	S	27.8	Very low	32.2	Very low	107 Å²	107	118.6 Å²	118.6	75%	0.748	69%	0.687	S	S	*	*	S	Bend	trans	-160.4	48.1	171	53.2	0	0	0	0	117.9
664	T	29.3	Very low	30.7	Very low	144 Å²	144	121.7 Å²	121.7	88%	0.883	71%	0.71	S	S	*	*			trans	-151.4	105.5	153.5	-12.4	0	0	0	0	112
665	T	25.9	Very low	29.8	Very low	136 Å²	136	122.6 Å²	122.6	83%	0.834	72%	0.72	S	S	*	*			trans	-104.3	112.7	-177.3	48.4	0	0	0	0	112
666	T	28.2	Very low	29.6	Very low	124 Å²	124	123.8 Å²	123.8	76%	0.761	73%	0.729	S	S	*	*			trans	-151.7	115.7	153.1	-2.6	0	0	0	0	113.5
667	T	27.1	Very low	29	Very low	112 Å²	112	123.4 Å²	123.4	69%	0.687	73%	0.731	S	S	*	*			trans	52.3	114.2	143.7	48.6	0	0	0	0	121.7
668	T	27.1	Very low	28.4	Very low	129 Å²	129	125.5 Å²	125.5	79%	0.791	74%	0.741	S	S	*	*			trans	67.1	136.5	134.7	54.5	0	0	0	0	120.6
669	S	28.4	Very low	28.2	Very low	95 Å²	95	127.2 Å²	127.2	66%	0.664	75%	0.749	S	S	*	*			cis	-168.5	148	-5.6	45.3	0	0	0	0	114.4
670	T	27.7	Very low	28.1	Very low	114 Å²	114	129 Å²	129	70%	0.699	76%	0.76	S	S	*	*			trans	68.6	120.2	140.9	50.4	0	0	0	0	123.2
671	I	27.9	Very low	28.2	Very low	137 Å²	137	127.7 Å²	127.7	70%	0.703	76%	0.755	S	S	*	*				99.5	98.3	120.4	-73.6	172.1	0	0	0	120.4
672	T	28.3	Very low	28.2	Very low	122 Å²	122	129.2 Å²	129.2	75%	0.748	76%	0.758	S	S	*	*			trans	72.6	151.5	133.3	62.1	0	0	0	0	122.3
673	S	28.4	Very low	28.1	Very low	85 Å²	85	125.8 Å²	125.8	59%	0.594	76%	0.757	S	S	*	*			cis	-171.5	169.2	-18.7	54.9	0	0	0	0	112.1
674	N	31.1	Very low	27.9	Very low	148 Å²	148	128.5 Å²	128.5	79%	0.791	76%	0.76	S	S	*	*			trans	63.2	127.6	158.9	-55	-17.2	0	0	0	118
675	L	26.8	Very low	27.7	Very low	167 Å²	167	127.6 Å²	127.6	87%	0.874	75%	0.749	S	S	*	*			cis	90.8	89.2	14.9	-152	140	0	0	0	116.9
676	S	30.9	Very low	27.7	Very low	114 Å²	114	126.5 Å²	126.5	80%	0.797	74%	0.742	S	S	*	*			trans	177.9	157.2	159.5	48.2	0	0	0	0	109.5
677	S	27.2	Very low	27.5	Very low	96 Å²	96	127.4 Å²	127.4	67%	0.671	74%	0.741	S	S	*	*			cis	-167.2	127.3	-25.2	52.8	0	0	0	0	112.1
678	I	25.1	Very low	27.4	Very low	148 Å²	148	127.7 Å²	127.7	76%	0.759	74%	0.739	S	S	*	*			trans	63.7	141.8	130.4	-61.2	171.6	0	0	0	121.2
679	Q	27.7	Very low	27.4	Very low	184 Å²	184	128.4 Å²	128.4	86%	0.86	73%	0.733	S	S	*	*			trans	87.1	116.4	157.6	-89.4	158.5	-12	0	0	122
680	C	28.3	Very low	27.3	Very low	119 Å²	119	131.8 Å²	131.8	80%	0.804	74%	0.738	S	S	*	*			trans	-85.4	-174.5	155.8	-31.9	0	0	0	0	109.2
681	P	32.2	Very low	27.2	Very low	103 Å²	103	130.8 Å²	130.8	67%	0.669	74%	0.736	S	S	*	*			cis	-151.2	-179.4	23	45.8	-25.1	0	0	0	119.6
682	N	27.7	Very low	27.1	Very low	151 Å²	151	129.8 Å²	129.8	81%	0.807	74%	0.736	S	S	*	*			trans	78.6	147	146	-72.4	-8.8	0	0	0	123.1
683	S	26.3	Very low	27	Very low	107 Å²	107	130.7 Å²	130.7	75%	0.748	74%	0.736	S	S	*	*			trans	80.6	104.4	149.7	55.2	0	0	0	0	122.2
684	M	23.7	Very low	26.9	Very low	164 Å²	164	131.4 Å²	131.4	81%	0.808	74%	0.742	S	S	*	*				74.8	137	123.4	-77.7	-148.5	110.4	0	0	123.3
685	L	25.4	Very low	26.7	Very low	125 Å²	125	130.2 Å²	130.2	65%	0.654	74%	0.74	S	S	*	*			trans	78.1	89.8	142.1	-70.8	170.7	0	0	0	120.9
686	T	25.4	Very low	26.8	Very low	113 Å²	113	129.2 Å²	129.2	69%	0.693	74%	0.735	S	S	*	*				69.3	153.1	116.1	54.6	0	0	0	0	122.9
687	L	24.7	Very low	26.6	Very low	142 Å²	142	131.3 Å²	131.3	74%	0.743	74%	0.736	S	S	*	*			trans	87.3	104.2	152.9	-75.9	157.4	0	0	0	119.6
688	N	24.6	Very low	26.6	Very low	118 Å²	118	130.6 Å²	130.6	63%	0.631	73%	0.731	S	S	*	*				76.7	110.6	128.3	-78	13.7	0	0	0	122.5
689	Q	26.8	Very low	26.7	Very low	144 Å²	144	129.9 Å²	129.9	67%	0.673	73%	0.729	S	S	*	*				73.6	139	117	-68.7	-173.4	-3.7	0	0	121.1
690	Q	26.1	Very low	26.7	Very low	166 Å²	166	128.1 Å²	128.1	78%	0.776	73%	0.725	S	S	*	*			trans	69.7	146.7	154.4	-68.1	164.1	30.2	0	0	117.9
691	S	26.8	Very low	26.6	Very low	94 Å²	94	127 Å²	127	66%	0.657	72%	0.719	S	S	*	*			cis	-173.4	177.5	-25.1	51.8	0	0	0	0	109.6
692	V	26.3	Very low	26.3	Very low	116 Å²	116	128.5 Å²	128.5	70%	0.703	72%	0.721	S	S	*	*			trans	78.4	93	158.9	-175.3	0	0	0	0	119.1
693	N	25.7	Very low	26.2	Very low	140 Å²	140	128.5 Å²	128.5	75%	0.749	72%	0.721	S	S	*	*				63.2	114.4	118.2	-55.1	-1.8	0	0	0	123.7
694	S	26.4	Very low	26.2	Very low	101 Å²	101	131.6 Å²	131.6	71%	0.706	73%	0.729	S	S	*	*				101.2	143.1	103.8	72	0	0	0	0	125.1
695	T	26.7	Very low	26.3	Very low	123 Å²	123	131.1 Å²	131.1	76%	0.755	73%	0.729	S	S	*	*			trans	89	154.6	140.7	39.5	0	0	0	0	124.2
696	L	29.1	Very low	26.3	Very low	146 Å²	146	133.4 Å²	133.4	76%	0.764	74%	0.74	S	S	*	*			trans	81.4	109.4	177.3	-60.3	115	0	0	0	115.7
697	L	27.4	Very low	26.3	Very low	157 Å²	157	131.2 Å²	131.2	82%	0.822	74%	0.74	S	S	*	*				80.3	134.9	62.7	-70.9	163.7	0	0	0	112.4
698	S	26	Very low	26.4	Very low	82 Å²	82	131.3 Å²	131.3	57%	0.573	74%	0.741	S	S	*	*			cis	-171.5	175.6	-1.5	52.7	0	0	0	0	112.9
699	N	27.9	Very low	26.5	Very low	132 Å²	132	130.9 Å²	130.9	71%	0.706	74%	0.739	S	S	*	*			trans	92.2	118.1	150.6	-62.6	-20.3	0	0	0	122.2
700	N	28	Very low	26.5	Very low	147 Å²	147	132.7 Å²	132.7	79%	0.786	74%	0.741	S	S	*	*			trans	73.3	136.2	137.3	-61	-9.1	0	0	0	119.6
701	S	26.4	Very low	26.7	Very low	95 Å²	95	131.8 Å²	131.8	66%	0.664	74%	0.736	S	S	*	*			cis	-164.4	160.5	0.6	42.8	0	0	0	0	113
702	N	24.2	Very low	26.6	Very low	136 Å²	136	135.1 Å²	135.1	73%	0.727	74%	0.741	S	S	*	*			trans	71.6	84.6	162.7	-54.3	-12.1	0	0	0	118.4
703	N	26.6	Very low	26.7	Very low	150 Å²	150	136.7 Å²	136.7	80%	0.802	75%	0.751	S	S	*	*				173.5	99.1	105.2	-86.7	-7.7	0	0	0	112.2	L705	N703-L705 PolarHBondContact O-N 3.32Å; N703-L705 VanDerWaalsContact O-N 3.16Å
704	N	26.2	Very low	26.8	Very low	172 Å²	172	137.1 Å²	137.1	92%	0.92	76%	0.759	S	S	*	*			trans	19	76	157.1	-59.4	5.6	0	0	0	118.2
705	L	25.1	Very low	26.8	Very low	155 Å²	155	135.4 Å²	135.4	81%	0.812	76%	0.757	S	S	*	*			trans	-139.4	152.9	156.8	-158.4	76	0	0	0	108.1	N703	N703-L705 PolarHBondContact O-N 3.32Å; N703-L705 VanDerWaalsContact O-N 3.16Å
706	I	26	Very low	27.1	Very low	173 Å²	173	138.1 Å²	138.1	89%	0.887	76%	0.761	S	S	*	*			trans	75.5	132.1	179.5	-48.6	159.3	0	0	0	113.8
707	G	25.2	Very low	27.4	Very low	67 Å²	67	139 Å²	139	69%	0.691	77%	0.767	S	S	*	*			trans	-176.7	61.9	-176.9	0	0	0	0	0	117
708	L	27.2	Very low	28.2	Very low	144 Å²	144	136.6 Å²	136.6	75%	0.754	75%	0.754	S	S	*	*			trans	73.1	143.4	156.4	-53.1	172.7	0	0	0	119.7
709	D	27.5	Very low	29.5	Very low	109 Å²	109	135.2 Å²	135.2	58%	0.583	74%	0.744	S	S	*	*			cis	-167	176.6	-30.2	-146.5	-31.1	0	0	0	108.9
710	Y	25.7	Very low	30.6	Very low	182 Å²	182	132 Å²	132	71%	0.714	73%	0.727	S	S	*	*			trans	69.7	143	166.2	-61.4	-63.1	0	0	0	118.1
711	H	29.7	Very low	32.1	Very low	146 Å²	146	130.2 Å²	130.2	68%	0.676	71%	0.714	S	S	*	*			cis	-138.8	136.9	1	-115.5	-72.8	0	0	0	112
712	Q	25.2	Very low	33.8	Very low	164 Å²	164	130.1 Å²	130.1	77%	0.766	70%	0.703	S	S	*	*			trans	12	115.9	153	-62.4	162.8	-59.8	0	0	120.9
713	T	28.3	Very low	35.1	Very low	149 Å²	149	126.1 Å²	126.1	91%	0.914	68%	0.681	S	S	*	*				-154.1	130.1	106.6	20.5	0	0	0	0	111.4
714	T	27.9	Very low	36.5	Very low	150 Å²	150	121.9 Å²	121.9	92%	0.92	66%	0.656	S	S	*	*			trans	-105.7	118.4	169.2	50.7	0	0	0	0	109.3
715	G	26.4	Very low	38.4	Very low	64 Å²	64	117.5 Å²	117.5	66%	0.66	63%	0.633	S	S	*	*			trans	-175	124.1	177	0	0	0	0	0	114.6
716	E	32.8	Very low	40.3	Very low	180 Å²	180	116.2 Å²	116.2	84%	0.841	62%	0.623	S	S	*	*	S	Bend	trans	41.6	99.7	143.4	-54.9	-173.5	171.6	0	0	119.6	L718	E716-L718 PolarHBondContact O-N 2.89Å
717	N	36.1	Very low	42	Very low	166 Å²	166	112.7 Å²	112.7	89%	0.888	60%	0.603	S	S	*	*			trans	39.8	44.6	139.2	-58.9	-17.8	0	0	0	119.2	S719	N717-S719 PolarHBondContact O-N 3.34Å; N717-S719 VanDerWaalsContact O-N 3.16Å
718	L	43.7	Very low	43.9	Very low	106 Å²	106	112.3 Å²	112.3	56%	0.555	58%	0.583	S	S	*	*			trans	-51.8	122.8	168.1	-73.7	163.3	0	0	0	110.2	E716 E722 I723	E716-L718 PolarHBondContact O-N 2.89Å; L718-E722 HydrophobicContact CD2-CB 3.8Å; L718-E722 HydrophobicContact CD2-CG 4.41Å; L718-I723 HydrophobicContact CB-CG1 4.36Å
719	S	54.3	Low	45.8	Very low	52 Å²	52	108.3 Å²	108.3	36%	0.364	57%	0.571	S	S	.	*			trans	-71	163.3	177	66.7	0	0	0	0	111.1	N717 Q721 E722 I723	N717-S719 PolarHBondContact O-N 3.34Å; N717-S719 VanDerWaalsContact O-N 3.16Å; S719-Q721 PolarHBondContact O-N 3.01Å; S719-E722 WeakPolarHBondContact CB-OE2 3.43Å; S719-E722 PolarHBondContact N-OE2 2.86Å; S719-E722 PolarHBondContact O-N 3.4Å; S719-E722 PolarHBondContact OG-N 3.39Å; S719-E722 PolarHBondContact OG-OE2 3.22Å; S719-I723 PolarHBondContact O-N 3.28Å
720	L	50.4	Low	47.6	Very low	65 Å²	65	107.4 Å²	107.4	34%	0.34	57%	0.565	S	S	.	*	H	α-helix	trans	-57	-32	173	-176	63.7	0	0	0	111.5	I612 Q724	I612-L720 HydrophobicContact CD1-CD1 4.33Å; I612-L720 HydrophobicContact CD1-CD2 4.07Å; L720-Q724 WeakPolarHBondContact O-CB 3.42Å; L720-Q724 VanDerWaalsContact O-CG 3.22Å; L720-Q724 WeakPolarHBondContact O-CG 3.41Å; L720-Q724 PolarHBondContact O-N 3.01Å; L720-Q724 PolarHBondContact O-OE1 2.83Å
721	Q	58.7	Low	49.5	Very low	109 Å²	109	101.4 Å²	101.4	51%	0.509	55%	0.545	S	S	.	.	H	α-helix	trans	-65.4	-49.4	176.6	-170.2	67.1	58.3	0	0	111.7	S719 I723 Q724 D725	S719-Q721 PolarHBondContact O-N 3.01Å; Q721-I723 VanDerWaalsContact C-N 3.27Å; Q721-I723 PolarHBondContact O-N 3.4Å; Q721-Q724 CarbonylContact O-C 3.51Å; Q721-Q724 WeakPolarHBondContact O-CA 3.42Å; Q721-Q724 WeakPolarHBondContact O-CB 3.29Å; Q721-Q724 PolarHBondContact O-N 3.37Å; Q721-D725 PolarHBondContact NE2-OD1 3.27Å; Q721-D725 WeakPolarHBondContact O-CB 3.5Å; Q721-D725 PolarHBondContact O-N 3.42Å
722	E	62.3	Low	51.6	Low	94 Å²	94	100.1 Å²	100.1	44%	0.439	53%	0.534	S	S	.	.	H	α-helix	trans	-63.6	-33.6	-178.2	-71.2	153.2	118.5	0	0	112.3	L718 S719 E726	L718-E722 HydrophobicContact CD2-CB 3.8Å; L718-E722 HydrophobicContact CD2-CG 4.41Å; S719-E722 WeakPolarHBondContact CB-OE2 3.43Å; S719-E722 PolarHBondContact N-OE2 2.86Å; S719-E722 PolarHBondContact O-N 3.4Å; S719-E722 PolarHBondContact OG-N 3.39Å; S719-E722 PolarHBondContact OG-OE2 3.22Å; E722-E726 WeakPolarHBondContact O-CB 3.33Å; E722-E726 PolarHBondContact O-N 3.49Å; E722-E726 VanDerWaalsContact O-N 3.1Å
723	I	52.5	Low	53.8	Low	51 Å²	51	94.9 Å²	94.9	26%	0.262	52%	0.516	S	S	.	.	H	α-helix	trans	-68.9	-39.7	173.2	-61.8	171.3	0	0	0	111.1	V611 L718 S719 Q721 E727	V611-I723 HydrophobicContact CG2-CD1 4.28Å; L718-I723 HydrophobicContact CB-CG1 4.36Å; S719-I723 PolarHBondContact O-N 3.28Å; Q721-I723 VanDerWaalsContact C-N 3.27Å; Q721-I723 PolarHBondContact O-N 3.4Å; I723-E727 WeakPolarHBondContact O-CB 3.17Å; I723-E727 PolarHBondContact O-N 2.83Å
724	Q	55.7	Low	55.7	Low	61 Å²	61	88 Å²	88	29%	0.285	47%	0.474	S	S	.	.	H	α-helix	trans	-68.5	-40.8	176.5	-76	171.5	-29.6	0	0	111.9	L720 Q721 E726 E727 E728	L720-Q724 WeakPolarHBondContact O-CB 3.42Å; L720-Q724 VanDerWaalsContact O-CG 3.22Å; L720-Q724 WeakPolarHBondContact O-CG 3.41Å; L720-Q724 PolarHBondContact O-N 3.01Å; L720-Q724 PolarHBondContact O-OE1 2.83Å; Q721-Q724 CarbonylContact O-C 3.51Å; Q721-Q724 WeakPolarHBondContact O-CA 3.42Å; Q721-Q724 WeakPolarHBondContact O-CB 3.29Å; Q721-Q724 PolarHBondContact O-N 3.37Å; Q724-E726 VanDerWaalsContact C-N 3.34Å; Q724-E726 PolarHBondContact O-N 2.99Å; Q724-E727 PolarHBondContact O-N 3.39Å; Q724-E728 WeakPolarHBondContact O-CB 3.44Å; Q724-E728 PolarHBondContact O-N 3.21Å
725	D	66.9	Low	57.8	Low	80 Å²	80	83.9 Å²	83.9	43%	0.428	44%	0.444	S	S	.	.	H	α-helix	trans	-63.5	-39.5	177.1	-64.7	-11.7	0	0	0	111	Q721 A729	Q721-D725 PolarHBondContact NE2-OD1 3.27Å; Q721-D725 WeakPolarHBondContact O-CB 3.5Å; Q721-D725 PolarHBondContact O-N 3.42Å; D725-A729 VanDerWaalsContact O-CB 3.23Å; D725-A729 WeakPolarHBondContact O-CB 3.4Å; D725-A729 PolarHBondContact O-N 2.89Å
726	E	64.2	Low	60.1	Low	128 Å²	128	84.7 Å²	84.7	60%	0.598	43%	0.433	S	S	*	.	H	α-helix	trans	-71.4	-43.3	176.6	-173.2	172.3	-145	0	0	112.6	E722 Q724 A729 L730	E722-E726 WeakPolarHBondContact O-CB 3.33Å; E722-E726 PolarHBondContact O-N 3.49Å; E722-E726 VanDerWaalsContact O-N 3.1Å; Q724-E726 VanDerWaalsContact C-N 3.34Å; Q724-E726 PolarHBondContact O-N 2.99Å; E726-A729 PolarHBondContact O-N 3.46Å; E726-L730 WeakPolarHBondContact O-CB 3.42Å; E726-L730 PolarHBondContact O-N 2.7Å
727	E	60.8	Low	62.1	Low	100 Å²	100	77.8 Å²	77.8	47%	0.467	40%	0.401	S	S	.	.	H	α-helix	trans	-68.8	-35.8	176.3	-174	165	-144.9	0	0	112	I723 Q724 N731	I723-E727 WeakPolarHBondContact O-CB 3.17Å; I723-E727 PolarHBondContact O-N 2.83Å; Q724-E727 PolarHBondContact O-N 3.39Å; E727-N731 PolarHBondContact O-N 2.75Å; E727-N731 PolarHBondContact O-ND2 2.84Å; E727-N731 VanDerWaalsContact O-ND2 3.15Å
728	E	65.2	Low	64	Low	59 Å²	59	72.7 Å²	72.7	28%	0.276	37%	0.371	S	S	.	.	H	α-helix	trans	-65.5	-46.2	171.6	-174.5	171	-178.9	0	0	111	Q724 L730 N731 R732 Q870	Q724-E728 WeakPolarHBondContact O-CB 3.44Å; Q724-E728 PolarHBondContact O-N 3.21Å; E728-L730 VanDerWaalsContact C-N 3.32Å; E728-L730 PolarHBondContact O-N 2.92Å; E728-N731 PolarHBondContact O-N 3.4Å; E728-R732 HydrophobicContact CG-CG 4.18Å; E728-R732 VanDerWaalsContact O-CB 3.26Å; E728-R732 WeakPolarHBondContact O-CB 3.24Å; E728-R732 VanDerWaalsContact O-CG 3.26Å; E728-R732 WeakPolarHBondContact O-CG 3.3Å; E728-R732 PolarHBondContact O-N 2.84Å; E728-R732 IonicContact OE1-CZ 3.02Å; E728-R732 VanDerWaalsContact OE1-CZ 3.23Å; E728-R732 IonicContact OE1-NE 3.09Å; E728-R732 PolarHBondContact OE1-NE 3.45Å; E728-R732 IonicContact OE1-NH2 2.74Å; E728-R732 PolarHBondContact OE1-NH2 2.82Å; E728-Q870 PolarHBondContact OE1-NE2 2.91Å
729	A	67.7	Low	65.6	Low	60 Å²	60	73.4 Å²	73.4	50%	0.496	38%	0.375	S	S	.	.	H	α-helix	trans	-61	-38.2	176.4	0	0	0	0	0	112.9	D725 E726 R732 S733	D725-A729 VanDerWaalsContact O-CB 3.23Å; D725-A729 WeakPolarHBondContact O-CB 3.4Å; D725-A729 PolarHBondContact O-N 2.89Å; E726-A729 PolarHBondContact O-N 3.46Å; A729-R732 CarbonylContact O-C 3.46Å; A729-R732 PolarHBondContact O-N 2.92Å; A729-S733 PolarHBondContact O-N 2.83Å
730	L	65.6	Low	66.7	Low	89 Å²	89	76.4 Å²	76.4	47%	0.466	38%	0.378	S	S	.	.	H	α-helix	trans	-65.6	-43.4	174.4	-98.2	163.2	0	0	0	112.5	E726 E728 S733 I734	E726-L730 WeakPolarHBondContact O-CB 3.42Å; E726-L730 PolarHBondContact O-N 2.7Å; E728-L730 VanDerWaalsContact C-N 3.32Å; E728-L730 PolarHBondContact O-N 2.92Å; L730-S733 PolarHBondContact O-N 3.26Å; L730-I734 VanDerWaalsContact O-CD1 3.22Å; L730-I734 WeakPolarHBondContact O-CD1 3.43Å; L730-I734 WeakPolarHBondContact O-CG1 3.36Å
731	N	66.3	Low	67.9	Low	56 Å²	56	74 Å²	74	30%	0.299	37%	0.366	S	S	.	.	H	α-helix	trans	-65.7	-41.8	175.2	-70	-31.5	0	0	0	110.5	S309 M310 E727 E728 S733 I734	S309-N731 CarbonylContact C-O 3.42Å; M310-N731 CarbonylContact C-O 3.53Å; M310-N731 VanDerWaalsContact CA-O 3.23Å; M310-N731 WeakPolarHBondContact CA-O 3.45Å; M310-N731 PolarHBondContact N-O 3.29Å; E727-N731 PolarHBondContact O-N 2.75Å; E727-N731 PolarHBondContact O-ND2 2.84Å; E727-N731 VanDerWaalsContact O-ND2 3.15Å; E728-N731 PolarHBondContact O-N 3.4Å; N731-S733 PolarHBondContact O-N 2.88Å; N731-I734 PolarHBondContact O-N 3.33Å; N731-I734 VanDerWaalsContact O-N 3.15Å
732	R	72.1	Confident	68.7	Low	119 Å²	119	74.1 Å²	74.1	45%	0.449	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	21.5	172.7	-69.4	-167.3	-165	-171.1	16.2	115.8	M310 E311 E728 A729	M310-R732 CarbonylContact O-C 3.2Å; M310-R732 WeakPolarHBondContact O-CA 3.28Å; E311-R732 CarbonylContact C-O 3.38Å; E311-R732 HydrophobicContact CB-CB 3.82Å; E311-R732 HydrophobicContact CB-CG 4.02Å; E311-R732 HydrophobicContact CG-CB 4.41Å; E311-R732 HydrophobicContact CG-CG 4.08Å; E311-R732 CarbonylContact O-C 3.46Å; E311-R732 VanDerWaalsContact O-O 3.06Å; E311-R732 VanDerWaalsContact OE2-CD 3.28Å; E311-R732 WeakPolarHBondContact OE2-CD 3.27Å; E311-R732 IonicContact OE2-NE 3.06Å; E311-R732 IonicContact OE2-NH1 3.32Å; E728-R732 HydrophobicContact CG-CG 4.18Å; E728-R732 VanDerWaalsContact O-CB 3.26Å; E728-R732 WeakPolarHBondContact O-CB 3.24Å; E728-R732 VanDerWaalsContact O-CG 3.26Å; E728-R732 WeakPolarHBondContact O-CG 3.3Å; E728-R732 PolarHBondContact O-N 2.84Å; E728-R732 IonicContact OE1-CZ 3.02Å; E728-R732 VanDerWaalsContact OE1-CZ 3.23Å; E728-R732 IonicContact OE1-NE 3.09Å; E728-R732 PolarHBondContact OE1-NE 3.45Å; E728-R732 IonicContact OE1-NH2 2.74Å; E728-R732 PolarHBondContact OE1-NH2 2.82Å; A729-R732 CarbonylContact O-C 3.46Å; A729-R732 PolarHBondContact O-N 2.92Å
733	S	71.6	Confident	69.4	Low	55 Å²	55	72.9 Å²	72.9	39%	0.385	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-16.8	168.9	-177.7	0	0	0	0	112.5	M310 A729 L730 N731 Q737	M310-S733 CarbonylContact O-C 3.55Å; M310-S733 PolarHBondContact O-N 2.88Å; A729-S733 PolarHBondContact O-N 2.83Å; L730-S733 PolarHBondContact O-N 3.26Å; N731-S733 PolarHBondContact O-N 2.88Å; S733-Q737 WeakPolarHBondContact O-CG 3.36Å
734	I	68.8	Low	70	Confident	4 Å²	4	76.5 Å²	76.5	2%	0.021	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-5.3	-163	-61.3	164.8	0	0	0	112.1	S309 M310 L730 N731 I770 R771	S309-I734 VanDerWaalsContact CA-CG2 3.45Å; S309-I734 WeakPolarHBondContact CB-O 3.5Å; S309-I734 VanDerWaalsContact N-CG2 3.35Å; M310-I734 PolarHBondContact O-N 3.46Å; L730-I734 VanDerWaalsContact O-CD1 3.22Å; L730-I734 WeakPolarHBondContact O-CD1 3.43Å; L730-I734 WeakPolarHBondContact O-CG1 3.36Å; N731-I734 PolarHBondContact O-N 3.33Å; N731-I734 VanDerWaalsContact O-N 3.15Å; I734-I770 HydrophobicContact CB-CG2 4.08Å; I734-I770 HydrophobicContact CG1-CG2 4.24Å; I734-I770 HydrophobicContact CG2-CB 3.93Å; I734-I770 HydrophobicContact CG2-CD1 4.11Å; I734-I770 HydrophobicContact CG2-CG2 3.67Å; I734-I770 WeakPolarHBondContact O-CD1 3.4Å; I734-R771 HydrophobicContact CD1-CG 3.58Å; I734-R771 VanDerWaalsContact CD1-NE 3.32Å; I734-R771 HydrophobicContact CG1-CG 4.23Å
735	E	72.1	Confident	70.8	Confident	63 Å²	63	76.5 Å²	76.5	29%	0.294	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-12.6	175.4	-167.2	143.9	-174.4	0	0	116.4	S309 M310 Q737 K738	S309-E735 VanDerWaalsContact CB-OE2 3.29Å; S309-E735 WeakPolarHBondContact CB-OE2 3.33Å; S309-E735 PolarHBondContact OG-OE2 3.21Å; M310-E735 HydrophobicContact CB-CB 3.35Å; M310-E735 HydrophobicContact CB-CG 3.97Å; M310-E735 HydrophobicContact CG-CB 4.08Å; M310-E735 HydrophobicContact CG-CG 4.34Å; M310-E735 VanDerWaalsContact N-N 3.15Å; M310-E735 PolarHBondContact O-N 3.41Å; M310-E735 HydrophobicContact SD-CG 4.47Å; E735-Q737 PolarHBondContact O-N 3.22Å; E735-K738 HydrophobicContact CB-CB 4.15Å; E735-K738 HydrophobicContact CB-CD 4.26Å; E735-K738 HydrophobicContact CG-CB 3.89Å; E735-K738 HydrophobicContact CG-CD 3.52Å; E735-K738 HydrophobicContact CG-CG 4.42Å; E735-K738 PolarHBondContact O-N 3.09Å; E735-K738 WeakPolarHBondContact OE1-CD 3.48Å; E735-K738 WeakPolarHBondContact OE1-CE 3.24Å; E735-K738 IonicContact OE1-NZ 3.04Å; E735-K738 PolarHBondContact OE1-NZ 3.37Å; E735-K738 WeakPolarHBondContact OE2-CD 3.39Å; E735-K738 IonicContact OE2-NZ 3.77Å; E735-K738 PolarHBondContact OE2-NZ 3.49Å
736	D	75.5	Confident	71.5	Confident	81 Å²	81	74 Å²	74	43%	0.433	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-40.3	148.7	-102.2	-15.7	0	0	0	109.3	E311 A312 L313	E311-D736 WeakPolarHBondContact O-CB 3.43Å; E311-D736 PolarHBondContact O-N 3.13Å; A312-D736 WeakPolarHBondContact CA-OD1 3.46Å; A312-D736 VanDerWaalsContact CA-OD2 3.25Å; A312-D736 WeakPolarHBondContact CA-OD2 3.5Å; A312-D736 PolarHBondContact N-OD1 2.97Å; A312-D736 PolarHBondContact N-OD2 2.93Å; L313-D736 PolarHBondContact N-OD1 2.95Å; L313-D736 PolarHBondContact N-OD2 3.46Å
737	Q	73	Confident	72.2	Confident	36 Å²	36	72.1 Å²	72.1	17%	0.168	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-9.8	-174.6	-63.8	-144.9	49.2	0	0	114.6	S733 E735 D739 R740 I770	S733-Q737 WeakPolarHBondContact O-CG 3.36Å; E735-Q737 PolarHBondContact O-N 3.22Å; Q737-D739 VanDerWaalsContact C-N 3.34Å; Q737-D739 PolarHBondContact O-N 3.44Å; Q737-R740 WeakPolarHBondContact O-CB 3.19Å; Q737-R740 PolarHBondContact O-N 2.83Å; Q737-R740 VanDerWaalsContact O-N 3.07Å; Q737-I770 HydrophobicContact CB-CG2 3.54Å; Q737-I770 HydrophobicContact CG-CG2 4.4Å
738	K	76.7	Confident	72.7	Confident	59 Å²	59	71.9 Å²	71.9	26%	0.257	38%	0.378	S	S	.	.	H	α-helix	trans	-70.6	-30.4	-178.6	-169.7	-178.3	-166.7	171.5	0	112.5	S309 E735 R740 L741 L742 I770	S309-K738 PolarHBondContact OG-NZ 3.02Å; E735-K738 HydrophobicContact CB-CB 4.15Å; E735-K738 HydrophobicContact CB-CD 4.26Å; E735-K738 HydrophobicContact CG-CB 3.89Å; E735-K738 HydrophobicContact CG-CD 3.52Å; E735-K738 HydrophobicContact CG-CG 4.42Å; E735-K738 PolarHBondContact O-N 3.09Å; E735-K738 WeakPolarHBondContact OE1-CD 3.48Å; E735-K738 WeakPolarHBondContact OE1-CE 3.24Å; E735-K738 IonicContact OE1-NZ 3.04Å; E735-K738 PolarHBondContact OE1-NZ 3.37Å; E735-K738 WeakPolarHBondContact OE2-CD 3.39Å; E735-K738 IonicContact OE2-NZ 3.77Å; E735-K738 PolarHBondContact OE2-NZ 3.49Å; K738-R740 PolarHBondContact O-N 3.12Å; K738-L741 WeakPolarHBondContact O-CA 3.42Å; K738-L741 VanDerWaalsContact O-CB 3.28Å; K738-L741 WeakPolarHBondContact O-CB 3.49Å; K738-L741 PolarHBondContact O-N 3.02Å; K738-L742 PolarHBondContact O-N 2.98Å; K738-I770 HydrophobicContact CB-CD1 4.35Å
739	D	77.8	Confident	73.5	Confident	120 Å²	120	70 Å²	70	64%	0.642	37%	0.37	S	S	*	.	H	α-helix	trans	-63.1	-29.7	170.1	-86.1	-1.1	0	0	0	112.2	Q737 L741 L742	Q737-D739 VanDerWaalsContact C-N 3.34Å; Q737-D739 PolarHBondContact O-N 3.44Å; D739-L741 PolarHBondContact O-N 2.94Å; D739-L742 WeakPolarHBondContact O-CB 3.4Å; D739-L742 PolarHBondContact O-N 3.19Å
740	R	76.7	Confident	74.2	Confident	115 Å²	115	67.6 Å²	67.6	43%	0.434	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-32.1	171.7	-52.9	176.4	68.4	-161.6	-4.7	111.2	Q737 K738 L742 T743 N746 L774	Q737-R740 WeakPolarHBondContact O-CB 3.19Å; Q737-R740 PolarHBondContact O-N 2.83Å; Q737-R740 VanDerWaalsContact O-N 3.07Å; K738-R740 PolarHBondContact O-N 3.12Å; R740-L742 VanDerWaalsContact C-N 3.31Å; R740-L742 PolarHBondContact O-N 3.05Å; R740-T743 WeakPolarHBondContact O-CG2 3.32Å; R740-T743 PolarHBondContact O-N 3.42Å; R740-T743 PolarHBondContact O-OG1 2.83Å; R740-N746 PolarHBondContact O-ND2 2.83Å; R740-L774 HydrophobicContact CB-CD1 3.55Å; R740-L774 HydrophobicContact CG-CD1 4.38Å
741	L	75.6	Confident	74.8	Confident	14 Å²	14	66.9 Å²	66.9	7%	0.073	35%	0.352	C	S	.	.	H	α-helix	trans	-75.3	-18.9	-177.9	-160.1	142.8	0	0	0	112.6	K738 D739 T743 Q747 L750 E766 F769 I770 L774	K738-L741 WeakPolarHBondContact O-CA 3.42Å; K738-L741 VanDerWaalsContact O-CB 3.28Å; K738-L741 WeakPolarHBondContact O-CB 3.49Å; K738-L741 PolarHBondContact O-N 3.02Å; D739-L741 PolarHBondContact O-N 2.94Å; L741-T743 PolarHBondContact O-N 3.31Å; L741-Q747 WeakPolarHBondContact O-CG 3.42Å; L741-L750 HydrophobicContact CD2-CD2 4.38Å; L741-E766 HydrophobicContact CD1-CB 3.99Å; L741-E766 HydrophobicContact CD1-CG 4.03Å; L741-E766 HydrophobicContact CD2-CG 4.02Å; L741-F769 HydrophobicContact CD1-CD1 4.05Å; L741-I770 HydrophobicContact CD1-CD1 3.92Å; L741-I770 HydrophobicContact CD1-CG1 3.88Å; L741-L774 HydrophobicContact CD1-CD2 4.21Å
742	L	74.9	Confident	75.5	Confident	113 Å²	113	68.5 Å²	68.5	59%	0.592	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-13.3	171.8	-61.9	176.5	0	0	0	113.9	K738 D739 R740 Q747	K738-L742 PolarHBondContact O-N 2.98Å; D739-L742 WeakPolarHBondContact O-CB 3.4Å; D739-L742 PolarHBondContact O-N 3.19Å; R740-L742 VanDerWaalsContact C-N 3.31Å; R740-L742 PolarHBondContact O-N 3.05Å; L742-Q747 PolarHBondContact O-NE2 2.9Å
743	T	78.6	Confident	76.1	Confident	68 Å²	68	62.8 Å²	62.8	42%	0.417	33%	0.332	S	S	.	.	S	Bend	trans	-69.7	140.6	178.5	63.7	0	0	0	0	111.6	R740 L741 A745 N746 Q747	R740-T743 WeakPolarHBondContact O-CG2 3.32Å; R740-T743 PolarHBondContact O-N 3.42Å; R740-T743 PolarHBondContact O-OG1 2.83Å; L741-T743 PolarHBondContact O-N 3.31Å; T743-A745 PolarHBondContact O-N 3.12Å; T743-A745 VanDerWaalsContact O-N 3.14Å; T743-N746 PolarHBondContact O-N 3.49Å; T743-N746 PolarHBondContact OG1-ND2 2.98Å; T743-N746 VanDerWaalsContact OG1-ND2 3.12Å; T743-Q747 PolarHBondContact O-N 2.93Å
744	L	64.7	Low	76.7	Confident	127 Å²	127	63.2 Å²	63.2	67%	0.665	33%	0.327	S	S	*	.	H	α-helix	trans	-54.9	-36.8	-177	-177.8	65.6	0	0	0	113	L748	L744-L748 HydrophobicContact CD1-CD1 4.41Å; L744-L748 HydrophobicContact CG-CD1 4.12Å; L744-L748 WeakPolarHBondContact O-CB 3.44Å; L744-L748 VanDerWaalsContact O-CG 3.25Å; L744-L748 WeakPolarHBondContact O-CG 3.3Å; L744-L748 PolarHBondContact O-N 3.22Å
745	A	71.3	Confident	77.2	Confident	61 Å²	61	65.1 Å²	65.1	50%	0.504	34%	0.343	S	S	.	.	H	α-helix	trans	-60.4	-47.9	175.8	0	0	0	0	0	111.5	T743 L748 C749	T743-A745 PolarHBondContact O-N 3.12Å; T743-A745 VanDerWaalsContact O-N 3.14Å; A745-L748 CarbonylContact O-C 3.53Å; A745-L748 WeakPolarHBondContact O-CB 2.94Å; A745-L748 PolarHBondContact O-N 3.43Å; A745-L748 VanDerWaalsContact O-N 3.16Å; A745-C749 PolarHBondContact O-N 3.4Å; A745-C749 PolarHBondContact O-SG 3.37Å
746	N	81.9	Confident	77.7	Confident	28 Å²	28	63.6 Å²	63.6	15%	0.15	34%	0.336	C	S	.	.	H	α-helix	trans	-73	-32.3	-178.3	-67.8	-19.3	0	0	0	112.4	R740 T743 L748 C749 L750 F769	R740-N746 PolarHBondContact O-ND2 2.83Å; T743-N746 PolarHBondContact O-N 3.49Å; T743-N746 PolarHBondContact OG1-ND2 2.98Å; T743-N746 VanDerWaalsContact OG1-ND2 3.12Å; N746-L748 VanDerWaalsContact C-N 3.3Å; N746-L748 PolarHBondContact O-N 3.41Å; N746-C749 PolarHBondContact O-N 3.43Å; N746-L750 WeakPolarHBondContact O-CB 3.47Å; N746-L750 PolarHBondContact O-N 3.23Å; N746-F769 HydrophobicContact CB-CE1 4.17Å
747	Q	80	Confident	78.2	Confident	87 Å²	87	59.8 Å²	59.8	41%	0.407	32%	0.316	S	S	.	.	H	α-helix	trans	-63.1	-35.6	168.5	-67	-174.9	-10.7	0	0	112.2	L741 L742 T743 S751	L741-Q747 WeakPolarHBondContact O-CG 3.42Å; L742-Q747 PolarHBondContact O-NE2 2.9Å; T743-Q747 PolarHBondContact O-N 2.93Å; Q747-S751 VanDerWaalsContact O-CB 3.32Å; Q747-S751 WeakPolarHBondContact O-CB 3.47Å; Q747-S751 PolarHBondContact O-N 3.4Å; Q747-S751 PolarHBondContact O-OG 3.48Å
748	L	71.3	Confident	78.5	Confident	96 Å²	96	61 Å²	61	50%	0.503	33%	0.327	S	S	.	.	H	α-helix	trans	-75.5	-31.3	174	-70.1	168.9	0	0	0	113	L744 A745 N746 R752	L744-L748 HydrophobicContact CD1-CD1 4.41Å; L744-L748 HydrophobicContact CG-CD1 4.12Å; L744-L748 WeakPolarHBondContact O-CB 3.44Å; L744-L748 VanDerWaalsContact O-CG 3.25Å; L744-L748 WeakPolarHBondContact O-CG 3.3Å; L744-L748 PolarHBondContact O-N 3.22Å; A745-L748 CarbonylContact O-C 3.53Å; A745-L748 WeakPolarHBondContact O-CB 2.94Å; A745-L748 PolarHBondContact O-N 3.43Å; A745-L748 VanDerWaalsContact O-N 3.16Å; N746-L748 VanDerWaalsContact C-N 3.3Å; N746-L748 PolarHBondContact O-N 3.41Å; L748-R752 WeakPolarHBondContact O-CG 3.48Å; L748-R752 PolarHBondContact O-N 3.43Å; L748-R752 VanDerWaalsContact O-N 3.12Å; L748-R752 PolarHBondContact O-NE 3.23Å; L748-R752 VanDerWaalsContact O-NE 3.16Å
749	C	80.8	Confident	78.6	Confident	18 Å²	18	64 Å²	64	12%	0.122	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-50.9	167.3	-61.6	0	0	0	0	110.9	A745 N746 S751 R752 L753 F769	A745-C749 PolarHBondContact O-N 3.4Å; A745-C749 PolarHBondContact O-SG 3.37Å; N746-C749 PolarHBondContact O-N 3.43Å; C749-S751 VanDerWaalsContact C-N 3.29Å; C749-S751 PolarHBondContact O-N 2.95Å; C749-R752 CarbonylContact O-C 3.58Å; C749-R752 PolarHBondContact O-N 3.42Å; C749-R752 PolarHBondContact SG-NH2 3.39Å; C749-L753 WeakPolarHBondContact O-CG 3.23Å; C749-L753 PolarHBondContact O-N 2.85Å; C749-F769 HydrophobicContact CB-CE1 3.87Å; C749-F769 HydrophobicContact CB-CE2 4.22Å; C749-F769 HydrophobicContact CB-CZ 3.38Å
750	L	83	Confident	78.6	Confident	11 Å²	11	58.6 Å²	58.6	6%	0.058	31%	0.313	C	S	.	.	H	α-helix	trans	-59.3	-39.9	178.1	-164	83.3	0	0	0	111.8	L741 N746 R752 L753 K754 I762 L765 E766 F769	L741-L750 HydrophobicContact CD2-CD2 4.38Å; N746-L750 WeakPolarHBondContact O-CB 3.47Å; N746-L750 PolarHBondContact O-N 3.23Å; L750-R752 PolarHBondContact O-N 2.89Å; L750-L753 PolarHBondContact O-N 3.38Å; L750-K754 VanDerWaalsContact O-CB 3.26Å; L750-K754 WeakPolarHBondContact O-CB 3.35Å; L750-K754 PolarHBondContact O-N 2.85Å; L750-I762 HydrophobicContact CD2-CD1 4Å; L750-I762 HydrophobicContact CD2-CG1 3.83Å; L750-I762 HydrophobicContact CG-CG1 4.43Å; L750-L765 HydrophobicContact CD1-CD2 4.42Å; L750-L765 HydrophobicContact CD1-CG 4.27Å; L750-E766 HydrophobicContact CD1-CB 4.4Å; L750-E766 HydrophobicContact CD1-CG 3.66Å; L750-E766 HydrophobicContact CD2-CG 3.6Å; L750-E766 HydrophobicContact CG-CG 4.28Å; L750-F769 HydrophobicContact CD1-CD1 4.2Å
751	S	79.1	Confident	78.8	Confident	74 Å²	74	56 Å²	56	52%	0.517	31%	0.306	S	S	.	.	H	α-helix	trans	-63	-39.8	174.5	-60.8	0	0	0	0	112.4	Q747 C749 A755	Q747-S751 VanDerWaalsContact O-CB 3.32Å; Q747-S751 WeakPolarHBondContact O-CB 3.47Å; Q747-S751 PolarHBondContact O-N 3.4Å; Q747-S751 PolarHBondContact O-OG 3.48Å; C749-S751 VanDerWaalsContact C-N 3.29Å; C749-S751 PolarHBondContact O-N 2.95Å; S751-A755 WeakPolarHBondContact O-CB 3.48Å; S751-A755 PolarHBondContact O-N 3.34Å
752	R	80.1	Confident	79.1	Confident	89 Å²	89	58.8 Å²	58.8	34%	0.336	32%	0.32	S	S	.	.	H	α-helix	trans	-71.8	-39	175.7	-74.9	178.9	-63.7	127.6	2.6	112.3	L748 C749 L750 A755 Q756 E776 L793	L748-R752 WeakPolarHBondContact O-CG 3.48Å; L748-R752 PolarHBondContact O-N 3.43Å; L748-R752 VanDerWaalsContact O-N 3.12Å; L748-R752 PolarHBondContact O-NE 3.23Å; L748-R752 VanDerWaalsContact O-NE 3.16Å; C749-R752 CarbonylContact O-C 3.58Å; C749-R752 PolarHBondContact O-N 3.42Å; C749-R752 PolarHBondContact SG-NH2 3.39Å; L750-R752 PolarHBondContact O-N 2.89Å; R752-A755 PolarHBondContact O-N 3.27Å; R752-Q756 WeakPolarHBondContact O-CB 3.38Å; R752-Q756 WeakPolarHBondContact O-CG 3.25Å; R752-Q756 PolarHBondContact O-N 3.1Å; R752-Q756 PolarHBondContact O-NE2 3.38Å; R752-E776 IonicContact CZ-OE1 3.37Å; R752-E776 VanDerWaalsContact CZ-OE1 3.25Å; R752-E776 IonicContact CZ-OE2 3.76Å; R752-E776 IonicContact NE-OE1 3.42Å; R752-E776 IonicContact NH1-OE1 3.89Å; R752-E776 PolarHBondContact NH1-OE1 2.87Å; R752-E776 IonicContact NH1-OE2 3.75Å; R752-E776 PolarHBondContact NH1-OE2 3.42Å; R752-E776 IonicContact NH2-OE1 2.77Å; R752-E776 IonicContact NH2-OE2 2.63Å; R752-E776 PolarHBondContact NH2-OE2 2.93Å; R752-L793 HydrophobicContact CB-CD1 4.13Å; R752-L793 HydrophobicContact CB-CD2 4.27Å; R752-L793 HydrophobicContact CG-CD1 4.2Å; R752-L793 HydrophobicContact CG-CD2 4.34Å
753	L	83.8	Confident	79.3	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-64.8	-42.5	173.7	-73.5	160	0	0	0	111.2	C749 L750 A755 Q756 F757 L765 F769 E776 L779	C749-L753 WeakPolarHBondContact O-CG 3.23Å; C749-L753 PolarHBondContact O-N 2.85Å; L750-L753 PolarHBondContact O-N 3.38Å; L753-A755 VanDerWaalsContact C-N 3.3Å; L753-A755 PolarHBondContact O-N 3.35Å; L753-Q756 PolarHBondContact O-N 2.88Å; L753-F757 HydrophobicContact CD2-CD2 4.46Å; L753-F757 HydrophobicContact CD2-CE2 4.32Å; L753-F757 WeakPolarHBondContact O-CD2 3.27Å; L753-F757 PolarHBondContact O-N 2.99Å; L753-L765 HydrophobicContact CB-CD1 4.33Å; L753-L765 HydrophobicContact CB-CD2 3.87Å; L753-L765 HydrophobicContact CB-CG 4.35Å; L753-F769 HydrophobicContact CD1-CD2 3.61Å; L753-F769 HydrophobicContact CD1-CE2 3.77Å; L753-F769 HydrophobicContact CD1-CG 4.05Å; L753-F769 HydrophobicContact CD1-CZ 4.35Å; L753-E776 HydrophobicContact CD1-CG 4.35Å; L753-E776 HydrophobicContact CD2-CG 3.97Å; L753-E776 HydrophobicContact CG-CG 4.03Å; L753-L779 HydrophobicContact CD1-CD2 3.77Å; L753-L779 HydrophobicContact CD2-CD2 4.03Å; L753-L779 HydrophobicContact CD2-CG 4.33Å; L753-L779 HydrophobicContact CG-CD2 4.48Å
754	K	85.5	Confident	79.4	Confident	63 Å²	63	57.2 Å²	57.2	27%	0.274	30%	0.302	S	S	.	.	H	α-helix	trans	-70.2	-25.1	177.1	-175.9	54.2	178.4	170.8	0	113	L750 F757 P758 I760 L765	L750-K754 VanDerWaalsContact O-CB 3.26Å; L750-K754 WeakPolarHBondContact O-CB 3.35Å; L750-K754 PolarHBondContact O-N 2.85Å; K754-F757 CarbonylContact O-C 3.57Å; K754-P758 PolarHBondContact NZ-O 3.14Å; K754-P758 WeakPolarHBondContact O-CA 3.38Å; K754-I760 PolarHBondContact NZ-O 3.5Å; K754-L765 HydrophobicContact CB-CD2 3.91Å; K754-L765 HydrophobicContact CD-CD2 4.45Å
755	A	79.3	Confident	80.3	Confident	44 Å²	44	51.1 Å²	51.1	36%	0.364	27%	0.271	S	S	.	.	H	α-helix	trans	-77.1	-33.4	169.3	0	0	0	0	0	112.9	S751 R752 L753 L793	S751-A755 WeakPolarHBondContact O-CB 3.48Å; S751-A755 PolarHBondContact O-N 3.34Å; R752-A755 PolarHBondContact O-N 3.27Å; L753-A755 VanDerWaalsContact C-N 3.3Å; L753-A755 PolarHBondContact O-N 3.35Å; A755-L793 HydrophobicContact CB-CD2 3.82Å
756	Q	82.6	Confident	81	Confident	32 Å²	32	50.2 Å²	50.2	15%	0.15	26%	0.256	C	S	.	.	H	α-helix	trans	-74	-35	173.6	-75.9	172.8	85.9	0	0	112.9	R752 L753 H791 L793	R752-Q756 WeakPolarHBondContact O-CB 3.38Å; R752-Q756 WeakPolarHBondContact O-CG 3.25Å; R752-Q756 PolarHBondContact O-N 3.1Å; R752-Q756 PolarHBondContact O-NE2 3.38Å; L753-Q756 PolarHBondContact O-N 2.88Å; Q756-H791 PolarHBondContact O-CD2 3.31Å; Q756-H791 PolarHBondContact O-N 3.22Å; Q756-L793 HydrophobicContact CG-CD1 4.21Å; Q756-L793 HydrophobicContact CG-CD2 4.04Å; Q756-L793 HydrophobicContact CG-CG 3.81Å
757	F	84.7	Confident	81	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.253	C	S	.	.			trans	-128.8	70.4	-175	-56.8	-76.2	0	0	0	110.6	L753 K754 E759 I760 L783 I784 F788 T790	L753-F757 HydrophobicContact CD2-CD2 4.46Å; L753-F757 HydrophobicContact CD2-CE2 4.32Å; L753-F757 WeakPolarHBondContact O-CD2 3.27Å; L753-F757 PolarHBondContact O-N 2.99Å; K754-F757 CarbonylContact O-C 3.57Å; F757-E759 PolarHBondContact O-N 2.86Å; F757-I760 HydrophobicContact CB-CB 4.45Å; F757-I760 HydrophobicContact CB-CD1 3.63Å; F757-I760 HydrophobicContact CB-CG1 3.93Å; F757-I760 HydrophobicContact CD1-CD1 4.37Å; F757-I760 HydrophobicContact CG-CD1 4.07Å; F757-I760 PolarHBondContact O-N 2.92Å; F757-L783 HydrophobicContact CD1-CB 4.26Å; F757-L783 HydrophobicContact CD1-CD1 4.27Å; F757-L783 HydrophobicContact CD2-CD1 3.56Å; F757-L783 HydrophobicContact CE1-CB 3.74Å; F757-L783 HydrophobicContact CE1-CD1 4.31Å; F757-L783 HydrophobicContact CE2-CB 4.23Å; F757-L783 HydrophobicContact CE2-CD1 3.63Å; F757-L783 HydrophobicContact CG-CD1 3.89Å; F757-L783 HydrophobicContact CZ-CB 3.72Å; F757-L783 HydrophobicContact CZ-CD1 4Å; F757-I784 HydrophobicContact CZ-CG1 4.46Å; F757-F788 HydrophobicContact CD1-CB 3.9Å; F757-F788 HydrophobicContact CE1-CB 4.13Å; F757-T790 HydrophobicContact CE1-CG2 3.56Å; F757-T790 HydrophobicContact CZ-CG2 3.59Å
758	P	80.4	Confident	81.1	Confident	61 Å²	61	45.9 Å²	45.9	40%	0.396	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-22.8	-174.6	28.9	-35.3	0	0	0	113.1	K754 I760 H791	K754-P758 PolarHBondContact NZ-O 3.14Å; K754-P758 WeakPolarHBondContact O-CA 3.38Å; P758-I760 VanDerWaalsContact C-N 3.3Å; P758-I760 PolarHBondContact O-N 2.84Å; P758-H791 WeakPolarHBondContact CD-CD2 3.47Å
759	E	78.3	Confident	81.9	Confident	123 Å²	123	41.3 Å²	41.3	58%	0.575	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-29.3	176.4	-59.7	174.8	150.7	0	0	112.7	F757	F757-E759 PolarHBondContact O-N 2.86Å
760	I	78.8	Confident	82	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.031	21%	0.207	C	C	.	.	S	Bend	trans	-84.6	124.3	-171.8	-53.4	-177.6	0	0	0	110.3	K754 F757 P758 Y764 L765 L783 F788	K754-I760 PolarHBondContact NZ-O 3.5Å; F757-I760 HydrophobicContact CB-CB 4.45Å; F757-I760 HydrophobicContact CB-CD1 3.63Å; F757-I760 HydrophobicContact CB-CG1 3.93Å; F757-I760 HydrophobicContact CD1-CD1 4.37Å; F757-I760 HydrophobicContact CG-CD1 4.07Å; F757-I760 PolarHBondContact O-N 2.92Å; P758-I760 VanDerWaalsContact C-N 3.3Å; P758-I760 PolarHBondContact O-N 2.84Å; I760-Y764 HydrophobicContact CG2-CD1 3.75Å; I760-Y764 HydrophobicContact CG2-CE1 4.37Å; I760-L765 HydrophobicContact CD1-CD1 4.42Å; I760-L765 HydrophobicContact CG2-CB 3.97Å; I760-L765 HydrophobicContact CG2-CD1 4.17Å; I760-L783 HydrophobicContact CD1-CD1 3.57Å; I760-L783 HydrophobicContact CD1-CD2 3.44Å; I760-L783 VanDerWaalsContact CD1-CD2 3.44Å; I760-L783 HydrophobicContact CD1-CG 4.03Å; I760-F788 HydrophobicContact CD1-CD1 3.95Å; I760-F788 HydrophobicContact CD1-CD2 4.03Å; I760-F788 HydrophobicContact CD1-CE1 4.11Å; I760-F788 HydrophobicContact CD1-CE2 4.19Å; I760-F788 HydrophobicContact CD1-CG 3.91Å; I760-F788 HydrophobicContact CD1-CZ 4.22Å; I760-F788 HydrophobicContact CG1-CD1 3.77Å; I760-F788 HydrophobicContact CG1-CE1 3.7Å; I760-F788 HydrophobicContact CG1-CG 4.26Å; I760-F788 HydrophobicContact CG1-CZ 4.12Å
761	E	80.9	Confident	82	Confident	61 Å²	61	45.9 Å²	45.9	29%	0.285	23%	0.226	S	C	.	.			trans	-62.9	138.3	-179.9	-57.1	-169	112.6	0	0	112.5	T304 T305 P306 N763 Y764 L765	T304-E761 WeakPolarHBondContact CA-OE1 3.31Å; T305-E761 WeakPolarHBondContact CA-OE2 3.39Å; T305-E761 PolarHBondContact N-OE2 3.33Å; P306-E761 HydrophobicContact CB-CB 4.06Å; P306-E761 HydrophobicContact CG-CB 3.63Å; P306-E761 HydrophobicContact CG-CG 4.47Å; E761-N763 PolarHBondContact O-N 3.36Å; E761-Y764 PolarHBondContact O-N 2.88Å; E761-L765 PolarHBondContact O-N 3.3Å
762	I	81.6	Confident	82.2	Confident	73 Å²	73	45.1 Å²	45.1	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-61.2	-44.9	-163.1	-168.4	168	0	0	0	113	L750 Y764 L765 E766	L750-I762 HydrophobicContact CD2-CD1 4Å; L750-I762 HydrophobicContact CD2-CG1 3.83Å; L750-I762 HydrophobicContact CG-CG1 4.43Å; I762-Y764 VanDerWaalsContact C-N 3.27Å; I762-Y764 PolarHBondContact O-N 3.47Å; I762-L765 CarbonylContact O-C 3.55Å; I762-L765 WeakPolarHBondContact O-CB 3.4Å; I762-L765 PolarHBondContact O-N 2.91Å; I762-E766 WeakPolarHBondContact O-CG 3.43Å; I762-E766 PolarHBondContact O-N 3Å
763	N	78	Confident	82.3	Confident	47 Å²	47	46.2 Å²	46.2	25%	0.251	23%	0.226	S	C	.	.	H	α-helix	trans	-77.6	-7.5	-179.9	2.9	-15.9	0	0	0	113.9	P306 T307 E761 E766 N767	P306-N763 VanDerWaalsContact CB-C 3.46Å; P306-N763 HydrophobicContact CB-CB 3.76Å; P306-N763 HydrophobicContact CG-CB 4.07Å; T307-N763 WeakPolarHBondContact CA-O 3.48Å; T307-N763 HydrophobicContact CG2-CB 3.74Å; T307-N763 PolarHBondContact N-O 3.11Å; T307-N763 PolarHBondContact OG1-ND2 3.43Å; E761-N763 PolarHBondContact O-N 3.36Å; N763-E766 WeakPolarHBondContact CB-OE2 3.36Å; N763-N767 PolarHBondContact O-N 2.93Å
764	Y	81.4	Confident	82.2	Confident	100 Å²	100	47.1 Å²	47.1	39%	0.392	23%	0.231	S	C	.	.	H	α-helix	trans	-89	-35.8	168.2	174	-107.8	0	0	0	109.8	I760 E761 I762 E766 N767 L768	I760-Y764 HydrophobicContact CG2-CD1 3.75Å; I760-Y764 HydrophobicContact CG2-CE1 4.37Å; E761-Y764 PolarHBondContact O-N 2.88Å; I762-Y764 VanDerWaalsContact C-N 3.27Å; I762-Y764 PolarHBondContact O-N 3.47Å; Y764-E766 VanDerWaalsContact C-N 3.3Å; Y764-N767 PolarHBondContact O-N 3.01Å; Y764-L768 HydrophobicContact CD1-CD1 3.98Å; Y764-L768 HydrophobicContact CE1-CD1 3.47Å; Y764-L768 VanDerWaalsContact CE1-CD1 3.47Å; Y764-L768 HydrophobicContact CE1-CG 4.23Å; Y764-L768 HydrophobicContact CE2-CG 4.44Å; Y764-L768 WeakPolarHBondContact O-CB 3.41Å; Y764-L768 WeakPolarHBondContact O-CG 3.32Å; Y764-L768 PolarHBondContact O-N 3.29Å
765	L	84.5	Confident	82.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61.2	-37.1	165.8	-169.8	68.8	0	0	0	111.6	L750 L753 K754 I760 E761 I762 L768 F769 L779 L783	L750-L765 HydrophobicContact CD1-CD2 4.42Å; L750-L765 HydrophobicContact CD1-CG 4.27Å; L753-L765 HydrophobicContact CB-CD1 4.33Å; L753-L765 HydrophobicContact CB-CD2 3.87Å; L753-L765 HydrophobicContact CB-CG 4.35Å; K754-L765 HydrophobicContact CB-CD2 3.91Å; K754-L765 HydrophobicContact CD-CD2 4.45Å; I760-L765 HydrophobicContact CD1-CD1 4.42Å; I760-L765 HydrophobicContact CG2-CB 3.97Å; I760-L765 HydrophobicContact CG2-CD1 4.17Å; E761-L765 PolarHBondContact O-N 3.3Å; I762-L765 CarbonylContact O-C 3.55Å; I762-L765 WeakPolarHBondContact O-CB 3.4Å; I762-L765 PolarHBondContact O-N 2.91Å; L765-L768 PolarHBondContact O-N 3.28Å; L765-F769 WeakPolarHBondContact O-CB 3.38Å; L765-F769 PolarHBondContact O-N 3.46Å; L765-L779 HydrophobicContact CD1-CD2 4.05Å; L765-L783 HydrophobicContact CD1-CD1 3.97Å
766	E	85.3	Confident	82.4	Confident	42 Å²	42	46.5 Å²	46.5	20%	0.196	22%	0.223	C	C	.	.	H	α-helix	trans	-61.8	-50.3	171.2	-71.5	167.4	-173	0	0	111.8	L741 L750 I762 N763 Y764 L768 F769 I770	L741-E766 HydrophobicContact CD1-CB 3.99Å; L741-E766 HydrophobicContact CD1-CG 4.03Å; L741-E766 HydrophobicContact CD2-CG 4.02Å; L750-E766 HydrophobicContact CD1-CB 4.4Å; L750-E766 HydrophobicContact CD1-CG 3.66Å; L750-E766 HydrophobicContact CD2-CG 3.6Å; L750-E766 HydrophobicContact CG-CG 4.28Å; I762-E766 WeakPolarHBondContact O-CG 3.43Å; I762-E766 PolarHBondContact O-N 3Å; N763-E766 WeakPolarHBondContact CB-OE2 3.36Å; Y764-E766 VanDerWaalsContact C-N 3.3Å; E766-L768 VanDerWaalsContact C-N 3.32Å; E766-L768 PolarHBondContact O-N 3.19Å; E766-F769 PolarHBondContact O-N 3.5Å; E766-I770 WeakPolarHBondContact O-CG1 3.42Å; E766-I770 PolarHBondContact O-N 3.17Å
767	N	80.9	Confident	82.4	Confident	17 Å²	17	51.8 Å²	51.8	9%	0.091	25%	0.248	C	C	.	.	H	α-helix	trans	-56.8	-45.1	175.7	-81.6	2.5	0	0	0	112.1	T307 G308 S309 N763 Y764 R771	T307-N767 PolarHBondContact O-ND2 3.1Å; G308-N767 VanDerWaalsContact C-OD1 3.26Å; G308-N767 PolarHBondContact N-ND2 2.86Å; G308-N767 PolarHBondContact N-OD1 2.98Å; G308-N767 VanDerWaalsContact N-OD1 3.07Å; G308-N767 PolarHBondContact O-ND2 2.83Å; G308-N767 PolarHBondContact O-OD1 3.44Å; S309-N767 PolarHBondContact N-OD1 2.9Å; N763-N767 PolarHBondContact O-N 2.93Å; Y764-N767 PolarHBondContact O-N 3.01Å; N767-R771 WeakPolarHBondContact O-CB 3.4Å; N767-R771 WeakPolarHBondContact O-CG 3.43Å; N767-R771 PolarHBondContact O-N 3.21Å
768	L	83.8	Confident	82.4	Confident	6 Å²	6	56 Å²	56	3%	0.031	27%	0.27	C	S	.	.	H	α-helix	trans	-65.4	-44.8	176.4	-78.1	174.4	0	0	0	111.5	Y764 L765 E766 I770 R771 F772 L779 Y782 L783	Y764-L768 HydrophobicContact CD1-CD1 3.98Å; Y764-L768 HydrophobicContact CE1-CD1 3.47Å; Y764-L768 VanDerWaalsContact CE1-CD1 3.47Å; Y764-L768 HydrophobicContact CE1-CG 4.23Å; Y764-L768 HydrophobicContact CE2-CG 4.44Å; Y764-L768 WeakPolarHBondContact O-CB 3.41Å; Y764-L768 WeakPolarHBondContact O-CG 3.32Å; Y764-L768 PolarHBondContact O-N 3.29Å; L765-L768 PolarHBondContact O-N 3.28Å; E766-L768 VanDerWaalsContact C-N 3.32Å; E766-L768 PolarHBondContact O-N 3.19Å; L768-I770 VanDerWaalsContact C-N 3.26Å; L768-I770 PolarHBondContact O-N 3.01Å; L768-R771 CarbonylContact O-C 3.57Å; L768-R771 PolarHBondContact O-N 3.31Å; L768-R771 VanDerWaalsContact O-N 3.07Å; L768-F772 HydrophobicContact CD2-CE2 4.37Å; L768-F772 WeakPolarHBondContact O-CD2 3.39Å; L768-F772 PolarHBondContact O-N 3.39Å; L768-L779 HydrophobicContact CB-CD1 3.71Å; L768-L779 HydrophobicContact CD1-CD1 4.36Å; L768-Y782 HydrophobicContact CD2-CE1 3.95Å; L768-L783 HydrophobicContact CD1-CD2 3.96Å
769	F	87.9	Confident	82.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-36.1	179.4	-171.4	-135.3	0	0	0	111.8	L741 N746 C749 L750 L753 L765 E766 F772 L774 E776 L779	L741-F769 HydrophobicContact CD1-CD1 4.05Å; N746-F769 HydrophobicContact CB-CE1 4.17Å; C749-F769 HydrophobicContact CB-CE1 3.87Å; C749-F769 HydrophobicContact CB-CE2 4.22Å; C749-F769 HydrophobicContact CB-CZ 3.38Å; L750-F769 HydrophobicContact CD1-CD1 4.2Å; L753-F769 HydrophobicContact CD1-CD2 3.61Å; L753-F769 HydrophobicContact CD1-CE2 3.77Å; L753-F769 HydrophobicContact CD1-CG 4.05Å; L753-F769 HydrophobicContact CD1-CZ 4.35Å; L765-F769 WeakPolarHBondContact O-CB 3.38Å; L765-F769 PolarHBondContact O-N 3.46Å; E766-F769 PolarHBondContact O-N 3.5Å; F769-F772 CarbonylContact O-C 3.57Å; F769-L774 HydrophobicContact CD1-CD2 3.52Å; F769-L774 HydrophobicContact CE1-CB 4.19Å; F769-L774 HydrophobicContact CE1-CD2 3.64Å; F769-L774 HydrophobicContact CE2-CB 4.25Å; F769-L774 WeakPolarHBondContact CE2-O 3.43Å; F769-L774 HydrophobicContact CG-CD2 4.06Å; F769-L774 HydrophobicContact CZ-CB 3.96Å; F769-L774 HydrophobicContact CZ-CD2 4.27Å; F769-L774 VanDerWaalsContact CZ-O 3.31Å; F769-L774 WeakPolarHBondContact CZ-O 3.3Å; F769-L774 VanDerWaalsContact O-CA 3.23Å; F769-L774 WeakPolarHBondContact O-CA 3.39Å; F769-L774 PolarHBondContact O-N 2.99Å; F769-E776 HydrophobicContact CE2-CB 4.47Å; F769-L779 HydrophobicContact CB-CD2 3.82Å; F769-L779 HydrophobicContact CD2-CD2 3.95Å; F769-L779 HydrophobicContact CG-CD2 4.31Å
770	I	82.5	Confident	83	Confident	5 Å²	5	48.2 Å²	48.2	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-71.6	-41.4	171.3	-64.8	168.8	0	0	0	111.8	I734 Q737 K738 L741 E766 L768 F772 D773 L774	I734-I770 HydrophobicContact CB-CG2 4.08Å; I734-I770 HydrophobicContact CG1-CG2 4.24Å; I734-I770 HydrophobicContact CG2-CB 3.93Å; I734-I770 HydrophobicContact CG2-CD1 4.11Å; I734-I770 HydrophobicContact CG2-CG2 3.67Å; I734-I770 WeakPolarHBondContact O-CD1 3.4Å; Q737-I770 HydrophobicContact CB-CG2 3.54Å; Q737-I770 HydrophobicContact CG-CG2 4.4Å; K738-I770 HydrophobicContact CB-CD1 4.35Å; L741-I770 HydrophobicContact CD1-CD1 3.92Å; L741-I770 HydrophobicContact CD1-CG1 3.88Å; E766-I770 WeakPolarHBondContact O-CG1 3.42Å; E766-I770 PolarHBondContact O-N 3.17Å; L768-I770 VanDerWaalsContact C-N 3.26Å; L768-I770 PolarHBondContact O-N 3.01Å; I770-F772 PolarHBondContact O-N 2.97Å; I770-D773 PolarHBondContact O-N 2.88Å; I770-L774 HydrophobicContact CG1-CD2 3.92Å
771	R	82	Confident	83.3	Confident	121 Å²	121	52.7 Å²	52.7	46%	0.457	26%	0.255	S	S	.	.	H	α-helix	trans	-62.3	-21	174.3	-77	179	178.3	-168	-0.7	113.7	I734 N767 L768	I734-R771 HydrophobicContact CD1-CG 3.58Å; I734-R771 VanDerWaalsContact CD1-NE 3.32Å; I734-R771 HydrophobicContact CG1-CG 4.23Å; N767-R771 WeakPolarHBondContact O-CB 3.4Å; N767-R771 WeakPolarHBondContact O-CG 3.43Å; N767-R771 PolarHBondContact O-N 3.21Å; L768-R771 CarbonylContact O-C 3.57Å; L768-R771 PolarHBondContact O-N 3.31Å; L768-R771 VanDerWaalsContact O-N 3.07Å
772	F	84.3	Confident	83.6	Confident	57 Å²	57	53.5 Å²	53.5	25%	0.25	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	30.8	172.7	-76.2	-78.5	0	0	0	112.6	L768 F769 I770 L774 D775 N778 L779 Y782	L768-F772 HydrophobicContact CD2-CE2 4.37Å; L768-F772 WeakPolarHBondContact O-CD2 3.39Å; L768-F772 PolarHBondContact O-N 3.39Å; F769-F772 CarbonylContact O-C 3.57Å; I770-F772 PolarHBondContact O-N 2.97Å; F772-L774 PolarHBondContact O-N 3.32Å; F772-D775 VanDerWaalsContact O-CB 3.23Å; F772-D775 WeakPolarHBondContact O-CB 3.25Å; F772-D775 PolarHBondContact O-N 3.43Å; F772-N778 HydrophobicContact CD1-CB 4.04Å; F772-L779 HydrophobicContact CB-CB 4.19Å; F772-L779 HydrophobicContact CD2-CB 4.31Å; F772-L779 HydrophobicContact CD2-CD1 3.83Å; F772-L779 HydrophobicContact CE2-CD1 4.24Å; F772-L779 HydrophobicContact CG-CB 4.31Å; F772-Y782 HydrophobicContact CE1-CG 4.35Å; F772-Y782 AromaticContact CE2-CD1 3.62Å; F772-Y782 HydrophobicContact CE2-CD1 3.62Å; F772-Y782 HydrophobicContact CE2-CD2 4.15Å; F772-Y782 HydrophobicContact CE2-CE1 4.13Å; F772-Y782 AromaticContact CE2-CG 3.62Å; F772-Y782 HydrophobicContact CE2-CG 3.62Å; F772-Y782 VanDerWaalsContact CZ-CB 3.5Å; F772-Y782 AromaticContact CZ-CD1 3.87Å; F772-Y782 HydrophobicContact CZ-CD1 3.87Å; F772-Y782 AromaticContact CZ-CD2 3.54Å; F772-Y782 HydrophobicContact CZ-CD2 3.54Å; F772-Y782 HydrophobicContact CZ-CE1 4.47Å; F772-Y782 HydrophobicContact CZ-CE2 4.17Å; F772-Y782 AromaticContact CZ-CG 3.35Å; F772-Y782 HydrophobicContact CZ-CG 3.35Å
773	D	81.4	Confident	83.8	Confident	112 Å²	112	50 Å²	50	60%	0.599	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	20.5	174.5	-84.6	-48	0	0	0	116	I770 D775	I770-D773 PolarHBondContact O-N 2.88Å; D773-D775 VanDerWaalsContact C-N 3.31Å
774	L	82	Confident	84.1	Confident	19 Å²	19	51.8 Å²	51.8	10%	0.099	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	25.5	-172.8	-50.9	159.4	0	0	0	113.4	R740 L741 F769 I770 F772	R740-L774 HydrophobicContact CB-CD1 3.55Å; R740-L774 HydrophobicContact CG-CD1 4.38Å; L741-L774 HydrophobicContact CD1-CD2 4.21Å; F769-L774 HydrophobicContact CD1-CD2 3.52Å; F769-L774 HydrophobicContact CE1-CB 4.19Å; F769-L774 HydrophobicContact CE1-CD2 3.64Å; F769-L774 HydrophobicContact CE2-CB 4.25Å; F769-L774 WeakPolarHBondContact CE2-O 3.43Å; F769-L774 HydrophobicContact CG-CD2 4.06Å; F769-L774 HydrophobicContact CZ-CB 3.96Å; F769-L774 HydrophobicContact CZ-CD2 4.27Å; F769-L774 VanDerWaalsContact CZ-O 3.31Å; F769-L774 WeakPolarHBondContact CZ-O 3.3Å; F769-L774 VanDerWaalsContact O-CA 3.23Å; F769-L774 WeakPolarHBondContact O-CA 3.39Å; F769-L774 PolarHBondContact O-N 2.99Å; I770-L774 HydrophobicContact CG1-CD2 3.92Å; F772-L774 PolarHBondContact O-N 3.32Å
775	D	83.9	Confident	84.2	Confident	55 Å²	55	54.8 Å²	54.8	29%	0.294	26%	0.261	S	S	.	.			trans	-85.4	113.3	171.9	-169.9	-26.1	0	0	0	111.3	F772 D773 Q777 N778 L779	F772-D775 VanDerWaalsContact O-CB 3.23Å; F772-D775 WeakPolarHBondContact O-CB 3.25Å; F772-D775 PolarHBondContact O-N 3.43Å; D773-D775 VanDerWaalsContact C-N 3.31Å; D775-Q777 VanDerWaalsContact C-N 3.32Å; D775-Q777 PolarHBondContact O-N 3.47Å; D775-Q777 WeakPolarHBondContact OD1-CA 3.3Å; D775-Q777 WeakPolarHBondContact OD1-CB 3.4Å; D775-Q777 PolarHBondContact OD1-N 2.92Å; D775-N778 HydrophobicContact CB-CB 4.15Å; D775-N778 PolarHBondContact OD1-N 2.88Å; D775-N778 PolarHBondContact OD2-ND2 3Å; D775-L779 WeakPolarHBondContact O-CB 3.01Å; D775-L779 PolarHBondContact O-N 2.98Å
776	E	85.3	Confident	83.8	Confident	39 Å²	39	60 Å²	60	18%	0.182	29%	0.286	C	S	.	.	H	α-helix	trans	-65.7	-33	178.1	-175.8	177.4	-174.3	0	0	112.5	R752 L753 F769 S780	R752-E776 IonicContact CZ-OE1 3.37Å; R752-E776 VanDerWaalsContact CZ-OE1 3.25Å; R752-E776 IonicContact CZ-OE2 3.76Å; R752-E776 IonicContact NE-OE1 3.42Å; R752-E776 IonicContact NH1-OE1 3.89Å; R752-E776 PolarHBondContact NH1-OE1 2.87Å; R752-E776 IonicContact NH1-OE2 3.75Å; R752-E776 PolarHBondContact NH1-OE2 3.42Å; R752-E776 IonicContact NH2-OE1 2.77Å; R752-E776 IonicContact NH2-OE2 2.63Å; R752-E776 PolarHBondContact NH2-OE2 2.93Å; L753-E776 HydrophobicContact CD1-CG 4.35Å; L753-E776 HydrophobicContact CD2-CG 3.97Å; L753-E776 HydrophobicContact CG-CG 4.03Å; F769-E776 HydrophobicContact CE2-CB 4.47Å; E776-S780 VanDerWaalsContact O-CB 3.31Å; E776-S780 WeakPolarHBondContact O-CB 3.38Å; E776-S780 PolarHBondContact O-N 3.09Å; E776-S780 VanDerWaalsContact O-N 3.08Å; E776-S780 PolarHBondContact O-OG 3.36Å
777	Q	83.2	Confident	83.4	Confident	143 Å²	143	60.9 Å²	60.9	67%	0.668	31%	0.307	S	S	*	.	H	α-helix	trans	-77.5	-54.5	-176.4	-64.4	-173.6	-27.5	0	0	110.8	D775 L779 S780 D781	D775-Q777 VanDerWaalsContact C-N 3.32Å; D775-Q777 PolarHBondContact O-N 3.47Å; D775-Q777 WeakPolarHBondContact OD1-CA 3.3Å; D775-Q777 WeakPolarHBondContact OD1-CB 3.4Å; D775-Q777 PolarHBondContact OD1-N 2.92Å; Q777-L779 VanDerWaalsContact C-N 3.26Å; Q777-L779 PolarHBondContact O-N 2.87Å; Q777-S780 PolarHBondContact O-N 2.96Å; Q777-S780 PolarHBondContact O-OG 2.93Å; Q777-D781 PolarHBondContact O-N 3.39Å
778	N	83.5	Confident	83.3	Confident	89 Å²	89	63.2 Å²	63.2	48%	0.476	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-36.6	178.5	-85.9	-62.4	0	0	0	112.4	F772 D775 Y782	F772-N778 HydrophobicContact CD1-CB 4.04Å; D775-N778 HydrophobicContact CB-CB 4.15Å; D775-N778 PolarHBondContact OD1-N 2.88Å; D775-N778 PolarHBondContact OD2-ND2 3Å; N778-Y782 WeakPolarHBondContact O-CB 3.35Å; N778-Y782 PolarHBondContact O-N 3.08Å
779	L	87.2	Confident	82.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65.3	-46.7	170.8	175.4	58.5	0	0	0	112	L753 L765 L768 F769 F772 D775 Q777 D781 Y782 L783	L753-L779 HydrophobicContact CD1-CD2 3.77Å; L753-L779 HydrophobicContact CD2-CD2 4.03Å; L753-L779 HydrophobicContact CD2-CG 4.33Å; L753-L779 HydrophobicContact CG-CD2 4.48Å; L765-L779 HydrophobicContact CD1-CD2 4.05Å; L768-L779 HydrophobicContact CB-CD1 3.71Å; L768-L779 HydrophobicContact CD1-CD1 4.36Å; F769-L779 HydrophobicContact CB-CD2 3.82Å; F769-L779 HydrophobicContact CD2-CD2 3.95Å; F769-L779 HydrophobicContact CG-CD2 4.31Å; F772-L779 HydrophobicContact CB-CB 4.19Å; F772-L779 HydrophobicContact CD2-CB 4.31Å; F772-L779 HydrophobicContact CD2-CD1 3.83Å; F772-L779 HydrophobicContact CE2-CD1 4.24Å; F772-L779 HydrophobicContact CG-CB 4.31Å; D775-L779 WeakPolarHBondContact O-CB 3.01Å; D775-L779 PolarHBondContact O-N 2.98Å; Q777-L779 VanDerWaalsContact C-N 3.26Å; Q777-L779 PolarHBondContact O-N 2.87Å; L779-D781 VanDerWaalsContact C-N 3.34Å; L779-D781 PolarHBondContact O-N 3.14Å; L779-Y782 PolarHBondContact O-N 2.98Å; L779-L783 HydrophobicContact CD1-CD1 3.82Å; L779-L783 HydrophobicContact CD1-CD2 4.33Å; L779-L783 HydrophobicContact CD1-CG 3.81Å; L779-L783 HydrophobicContact CG-CD1 3.89Å; L779-L783 HydrophobicContact CG-CG 4.31Å; L779-L783 VanDerWaalsContact O-CG 3.32Å; L779-L783 WeakPolarHBondContact O-CG 3.43Å; L779-L783 PolarHBondContact O-N 2.85Å
780	S	85	Confident	82.2	Confident	20 Å²	20	70.5 Å²	70.5	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-61	-42.2	180	71	0	0	0	0	112.4	E776 Q777 Y782 L783 I784	E776-S780 VanDerWaalsContact O-CB 3.31Å; E776-S780 WeakPolarHBondContact O-CB 3.38Å; E776-S780 PolarHBondContact O-N 3.09Å; E776-S780 VanDerWaalsContact O-N 3.08Å; E776-S780 PolarHBondContact O-OG 3.36Å; Q777-S780 PolarHBondContact O-N 2.96Å; Q777-S780 PolarHBondContact O-OG 2.93Å; S780-Y782 PolarHBondContact O-N 3.17Å; S780-L783 PolarHBondContact O-N 3.38Å; S780-I784 WeakPolarHBondContact O-CD1 3.49Å; S780-I784 WeakPolarHBondContact O-CG1 3.26Å; S780-I784 PolarHBondContact O-N 2.87Å
781	D	85	Confident	81.6	Confident	101 Å²	101	74.4 Å²	74.4	54%	0.54	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-39.9	175.5	-78.6	-23.5	0	0	0	111.8	Q777 L779 K785	Q777-D781 PolarHBondContact O-N 3.39Å; L779-D781 VanDerWaalsContact C-N 3.34Å; L779-D781 PolarHBondContact O-N 3.14Å; D781-K785 VanDerWaalsContact O-CB 3.27Å; D781-K785 WeakPolarHBondContact O-CB 3.5Å; D781-K785 PolarHBondContact O-N 3.06Å
782	Y	87.6	Confident	80.2	Confident	77 Å²	77	74.3 Å²	74.3	30%	0.302	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-45.8	173.4	174.4	-99.3	0	0	0	112	L768 F772 N778 L779 S780 K785 Q786	L768-Y782 HydrophobicContact CD2-CE1 3.95Å; F772-Y782 HydrophobicContact CE1-CG 4.35Å; F772-Y782 AromaticContact CE2-CD1 3.62Å; F772-Y782 HydrophobicContact CE2-CD1 3.62Å; F772-Y782 HydrophobicContact CE2-CD2 4.15Å; F772-Y782 HydrophobicContact CE2-CE1 4.13Å; F772-Y782 AromaticContact CE2-CG 3.62Å; F772-Y782 HydrophobicContact CE2-CG 3.62Å; F772-Y782 VanDerWaalsContact CZ-CB 3.5Å; F772-Y782 AromaticContact CZ-CD1 3.87Å; F772-Y782 HydrophobicContact CZ-CD1 3.87Å; F772-Y782 AromaticContact CZ-CD2 3.54Å; F772-Y782 HydrophobicContact CZ-CD2 3.54Å; F772-Y782 HydrophobicContact CZ-CE1 4.47Å; F772-Y782 HydrophobicContact CZ-CE2 4.17Å; F772-Y782 AromaticContact CZ-CG 3.35Å; F772-Y782 HydrophobicContact CZ-CG 3.35Å; N778-Y782 WeakPolarHBondContact O-CB 3.35Å; N778-Y782 PolarHBondContact O-N 3.08Å; L779-Y782 PolarHBondContact O-N 2.98Å; S780-Y782 PolarHBondContact O-N 3.17Å; Y782-K785 CarbonylContact O-C 3.56Å; Y782-K785 WeakPolarHBondContact O-CA 3.49Å; Y782-K785 WeakPolarHBondContact O-CB 3.4Å; Y782-K785 PolarHBondContact O-N 3.1Å; Y782-K785 VanDerWaalsContact O-N 3.11Å; Y782-Q786 HydrophobicContact CD1-CG 4.17Å; Y782-Q786 HydrophobicContact CD2-CG 4.42Å; Y782-Q786 HydrophobicContact CE1-CG 3.73Å; Y782-Q786 HydrophobicContact CE2-CG 4.03Å; Y782-Q786 HydrophobicContact CG-CG 4.5Å; Y782-Q786 WeakPolarHBondContact O-CG 3.47Å; Y782-Q786 PolarHBondContact O-N 3.44Å
783	L	85.3	Confident	78.4	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-65.2	-41.6	-179.7	-69.2	175.1	0	0	0	112.1	F757 I760 L765 L768 L779 S780 K785 Q786 G787 F788	F757-L783 HydrophobicContact CD1-CB 4.26Å; F757-L783 HydrophobicContact CD1-CD1 4.27Å; F757-L783 HydrophobicContact CD2-CD1 3.56Å; F757-L783 HydrophobicContact CE1-CB 3.74Å; F757-L783 HydrophobicContact CE1-CD1 4.31Å; F757-L783 HydrophobicContact CE2-CB 4.23Å; F757-L783 HydrophobicContact CE2-CD1 3.63Å; F757-L783 HydrophobicContact CG-CD1 3.89Å; F757-L783 HydrophobicContact CZ-CB 3.72Å; F757-L783 HydrophobicContact CZ-CD1 4Å; I760-L783 HydrophobicContact CD1-CD1 3.57Å; I760-L783 HydrophobicContact CD1-CD2 3.44Å; I760-L783 VanDerWaalsContact CD1-CD2 3.44Å; I760-L783 HydrophobicContact CD1-CG 4.03Å; L765-L783 HydrophobicContact CD1-CD1 3.97Å; L768-L783 HydrophobicContact CD1-CD2 3.96Å; L779-L783 HydrophobicContact CD1-CD1 3.82Å; L779-L783 HydrophobicContact CD1-CD2 4.33Å; L779-L783 HydrophobicContact CD1-CG 3.81Å; L779-L783 HydrophobicContact CG-CD1 3.89Å; L779-L783 HydrophobicContact CG-CG 4.31Å; L779-L783 VanDerWaalsContact O-CG 3.32Å; L779-L783 WeakPolarHBondContact O-CG 3.43Å; L779-L783 PolarHBondContact O-N 2.85Å; S780-L783 PolarHBondContact O-N 3.38Å; L783-K785 VanDerWaalsContact C-N 3.3Å; L783-K785 PolarHBondContact O-N 3.18Å; L783-Q786 PolarHBondContact O-N 2.9Å; L783-G787 PolarHBondContact O-N 2.86Å; L783-G787 VanDerWaalsContact O-N 3.17Å; L783-F788 HydrophobicContact CB-CB 4.38Å; L783-F788 HydrophobicContact CB-CD2 4.25Å; L783-F788 HydrophobicContact CD2-CD2 3.78Å; L783-F788 HydrophobicContact CD2-CE2 4Å; L783-F788 PolarHBondContact O-N 3.1Å
784	I	84.1	Confident	76.1	Confident	84 Å²	84	75.2 Å²	75.2	43%	0.431	40%	0.404	S	S	.	.	H	α-helix	trans	-58.3	-43.6	170.3	-66.7	160.9	0	0	0	110.3	F757 S780 Q786 G787 T790	F757-I784 HydrophobicContact CZ-CG1 4.46Å; S780-I784 WeakPolarHBondContact O-CD1 3.49Å; S780-I784 WeakPolarHBondContact O-CG1 3.26Å; S780-I784 PolarHBondContact O-N 2.87Å; I784-Q786 VanDerWaalsContact C-N 3.33Å; I784-Q786 PolarHBondContact O-N 3.41Å; I784-G787 PolarHBondContact O-N 2.9Å; I784-T790 HydrophobicContact CD1-CG2 3.83Å; I784-T790 HydrophobicContact CG1-CG2 3.63Å
785	K	83.9	Confident	73.5	Confident	163 Å²	163	79.8 Å²	79.8	71%	0.709	43%	0.434	S	S	*	.	H	α-helix	trans	-69.1	-25.7	178.7	-168.6	172.7	-177	178.1	0	113.7	D781 Y782 L783 G787	D781-K785 VanDerWaalsContact O-CB 3.27Å; D781-K785 WeakPolarHBondContact O-CB 3.5Å; D781-K785 PolarHBondContact O-N 3.06Å; Y782-K785 CarbonylContact O-C 3.56Å; Y782-K785 WeakPolarHBondContact O-CA 3.49Å; Y782-K785 WeakPolarHBondContact O-CB 3.4Å; Y782-K785 PolarHBondContact O-N 3.1Å; Y782-K785 VanDerWaalsContact O-N 3.11Å; L783-K785 VanDerWaalsContact C-N 3.3Å; L783-K785 PolarHBondContact O-N 3.18Å; K785-G787 VanDerWaalsContact C-N 3.31Å
786	Q	75.9	Confident	70.9	Confident	110 Å²	110	85.4 Å²	85.4	51%	0.514	46%	0.457	S	S	.	.	H	α-helix	trans	-81.5	-7.3	169.8	-63.3	-55.2	-34.2	0	0	113.3	Y782 L783 I784 F788	Y782-Q786 HydrophobicContact CD1-CG 4.17Å; Y782-Q786 HydrophobicContact CD2-CG 4.42Å; Y782-Q786 HydrophobicContact CE1-CG 3.73Å; Y782-Q786 HydrophobicContact CE2-CG 4.03Å; Y782-Q786 HydrophobicContact CG-CG 4.5Å; Y782-Q786 WeakPolarHBondContact O-CG 3.47Å; Y782-Q786 PolarHBondContact O-N 3.44Å; L783-Q786 PolarHBondContact O-N 2.9Å; I784-Q786 VanDerWaalsContact C-N 3.33Å; I784-Q786 PolarHBondContact O-N 3.41Å; Q786-F788 HydrophobicContact CB-CD2 4.13Å; Q786-F788 HydrophobicContact CB-CE2 4.19Å
787	G	77.2	Confident	68.2	Low	61 Å²	61	89.6 Å²	89.6	63%	0.629	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.7	8.6	174.9	0	0	0	0	0	115.9	L783 I784 K785	L783-G787 PolarHBondContact O-N 2.86Å; L783-G787 VanDerWaalsContact O-N 3.17Å; I784-G787 PolarHBondContact O-N 2.9Å; K785-G787 VanDerWaalsContact C-N 3.31Å
788	F	77.9	Confident	65.5	Low	66 Å²	66	88.7 Å²	88.7	29%	0.289	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-71.3	143.4	173.3	-68.2	-79.9	0	0	0	111.5	F757 I760 L783 Q786	F757-F788 HydrophobicContact CD1-CB 3.9Å; F757-F788 HydrophobicContact CE1-CB 4.13Å; I760-F788 HydrophobicContact CD1-CD1 3.95Å; I760-F788 HydrophobicContact CD1-CD2 4.03Å; I760-F788 HydrophobicContact CD1-CE1 4.11Å; I760-F788 HydrophobicContact CD1-CE2 4.19Å; I760-F788 HydrophobicContact CD1-CG 3.91Å; I760-F788 HydrophobicContact CD1-CZ 4.22Å; I760-F788 HydrophobicContact CG1-CD1 3.77Å; I760-F788 HydrophobicContact CG1-CE1 3.7Å; I760-F788 HydrophobicContact CG1-CG 4.26Å; I760-F788 HydrophobicContact CG1-CZ 4.12Å; L783-F788 HydrophobicContact CB-CB 4.38Å; L783-F788 HydrophobicContact CB-CD2 4.25Å; L783-F788 HydrophobicContact CD2-CD2 3.78Å; L783-F788 HydrophobicContact CD2-CE2 4Å; L783-F788 PolarHBondContact O-N 3.1Å; Q786-F788 HydrophobicContact CB-CD2 4.13Å; Q786-F788 HydrophobicContact CB-CE2 4.19Å
789	T	75.9	Confident	62.8	Low	80 Å²	80	89.9 Å²	89.9	49%	0.491	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-88	139.9	179.4	68.9	0	0	0	0	111.9
790	T	73.5	Confident	60	Low	79 Å²	79	96.3 Å²	96.3	49%	0.485	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-93.2	120.1	-179.3	45.6	0	0	0	0	111.7	F757 I784	F757-T790 HydrophobicContact CE1-CG2 3.56Å; F757-T790 HydrophobicContact CZ-CG2 3.59Å; I784-T790 HydrophobicContact CD1-CG2 3.83Å; I784-T790 HydrophobicContact CG1-CG2 3.63Å
791	H	70.9	Confident	57.1	Low	87 Å²	87	98.8 Å²	98.8	40%	0.403	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-87.8	137.9	172.7	-66.7	-102.1	0	0	0	111	Q756 P758 L793	Q756-H791 PolarHBondContact O-CD2 3.31Å; Q756-H791 PolarHBondContact O-N 3.22Å; P758-H791 WeakPolarHBondContact CD-CD2 3.47Å; H791-L793 PolarHBondContact O-N 3.49Å
792	S	51.1	Low	54.4	Low	119 Å²	119	97.6 Å²	97.6	83%	0.832	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-72.3	119.7	-176.3	56.1	0	0	0	0	112.2	N794	S792-N794 PolarHBondContact O-N 2.99Å
793	L	46.2	Very low	51.5	Low	69 Å²	69	104.3 Å²	104.3	36%	0.361	56%	0.564	S	S	.	*	P	Polyproline II helix	trans	-60.8	128.8	171.5	-71	176.9	0	0	0	111.4	R752 A755 Q756 H791	R752-L793 HydrophobicContact CB-CD1 4.13Å; R752-L793 HydrophobicContact CB-CD2 4.27Å; R752-L793 HydrophobicContact CG-CD1 4.2Å; R752-L793 HydrophobicContact CG-CD2 4.34Å; A755-L793 HydrophobicContact CB-CD2 3.82Å; Q756-L793 HydrophobicContact CG-CD1 4.21Å; Q756-L793 HydrophobicContact CG-CD2 4.04Å; Q756-L793 HydrophobicContact CG-CG 3.81Å; H791-L793 PolarHBondContact O-N 3.49Å
794	N	33	Very low	48.8	Very low	119 Å²	119	112.1 Å²	112.1	64%	0.636	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-78.1	130	173.1	-152.5	-4.1	0	0	0	108.9	S792 F796	S792-N794 PolarHBondContact O-N 2.99Å; N794-F796 PolarHBondContact O-N 3.22Å
795	P	29.2	Very low	46.2	Very low	114 Å²	114	114.5 Å²	114.5	74%	0.74	61%	0.607	S	S	*	*	S	Bend	trans	-65.1	-2.5	-168.9	-26.3	36.3	0	0	0	117.2
796	F	27.8	Very low	43.5	Very low	174 Å²	174	115 Å²	115	76%	0.763	61%	0.612	S	S	*	*			trans	-133.6	115.4	174.8	-67.5	-94.7	0	0	0	108.9	N794	N794-F796 PolarHBondContact O-N 3.22Å
797	L	30.2	Very low	41.4	Very low	127 Å²	127	116.4 Å²	116.4	67%	0.665	62%	0.623	S	S	*	*			trans	-120.8	59.3	168.5	-79	175.2	0	0	0	110.8
798	V	24.9	Very low	39.3	Very low	123 Å²	123	119.3 Å²	119.3	75%	0.745	63%	0.628	S	S	*	*			trans	-90.7	157.4	140.1	-174.9	0	0	0	0	106.3
799	E	26.8	Very low	37.1	Very low	114 Å²	114	122.6 Å²	122.6	53%	0.533	65%	0.649	S	S	.	*			trans	78.3	108.8	178.9	-51.2	-163.9	103.5	0	0	117.2	N802	E799-N802 PolarHBondContact OE1-ND2 3.11Å
800	T	28.2	Very low	35	Very low	136 Å²	136	124.8 Å²	124.8	83%	0.834	66%	0.658	S	S	*	*	S	Bend	trans	-120.3	35.7	141.3	-42.4	0	0	0	0	108.9	Y824	T800-Y824 PolarHBondContact N-OH 3.21Å
801	V	26	Very low	33.1	Very low	72 Å²	72	127.4 Å²	127.4	44%	0.436	67%	0.669	S	S	.	*			trans	-100.1	162.9	156.5	120.1	0	0	0	0	105.2	Y824	V801-Y824 HydrophobicContact CB-CE1 3.96Å; V801-Y824 HydrophobicContact CG2-CD1 4.48Å; V801-Y824 HydrophobicContact CG2-CE1 3.72Å; V801-Y824 PolarHBondContact N-OH 2.87Å
802	N	26.9	Very low	31.2	Very low	75 Å²	75	129.9 Å²	129.9	40%	0.401	69%	0.685	S	S	.	*			trans	63.6	74.7	178.3	-57.5	-32.2	0	0	0	115.4	E799 Y804	E799-N802 PolarHBondContact OE1-ND2 3.11Å; N802-Y804 HydrophobicContact CB-CD2 3.51Å; N802-Y804 HydrophobicContact CB-CE2 3.75Å; N802-Y804 HydrophobicContact CB-CG 4.05Å; N802-Y804 PolarHBondContact O-N 3.08Å
803	K	27	Very low	30.2	Very low	218 Å²	218	129 Å²	129	95%	0.948	68%	0.678	S	S	*	*			trans	-71.5	65.5	143.7	-167.8	176.4	-177.6	178.6	0	108.7	I805	K803-I805 PolarHBondContact O-N 3.28Å
804	Y	28	Very low	29.5	Very low	164 Å²	164	137 Å²	137	64%	0.643	70%	0.704	S	S	*	*			trans	-64.6	129	171	-85.6	-43.1	0	0	0	108.4	N802	N802-Y804 HydrophobicContact CB-CD2 3.51Å; N802-Y804 HydrophobicContact CB-CE2 3.75Å; N802-Y804 HydrophobicContact CB-CG 4.05Å; N802-Y804 PolarHBondContact O-N 3.08Å
805	I	30.7	Very low	29.3	Very low	134 Å²	134	135.7 Å²	135.7	69%	0.687	71%	0.71	S	S	*	*				51.3	79.2	92.3	-54.7	-178	0	0	0	111	K803	K803-I805 PolarHBondContact O-N 3.28Å
806	E	27.2	Very low	29.2	Very low	175 Å²	175	135.7 Å²	135.7	82%	0.818	71%	0.712	S	S	*	*			trans	-70.6	125.5	130.7	-66.9	-177.1	138.8	0	0	107.7
807	N	30.3	Very low	29.1	Very low	139 Å²	139	133.2 Å²	133.2	74%	0.743	71%	0.714	S	S	*	*			trans	154.2	139.3	132.2	-82.3	-63.9	0	0	0	112.5
808	V	33.5	Very low	28.9	Very low	121 Å²	121	133.9 Å²	133.9	73%	0.733	72%	0.722	S	S	*	*			trans	69.5	78.5	169.1	-158.7	0	0	0	0	117.6
809	D	32.3	Very low	29	Very low	136 Å²	136	133.1 Å²	133.1	73%	0.727	72%	0.723	S	S	*	*				53	141.1	112.7	-57.7	-11.3	0	0	0	124.1
810	N	32.2	Very low	28.9	Very low	126 Å²	126	132.7 Å²	132.7	67%	0.674	73%	0.732	S	S	*	*			trans	80.5	91.5	143.4	-70.6	-38.5	0	0	0	121.5
811	N	31.9	Very low	28.8	Very low	134 Å²	134	130.4 Å²	130.4	72%	0.717	72%	0.722	S	S	*	*				97.8	139.3	116.6	-60.8	-24.1	0	0	0	122.6
812	D	32.7	Very low	28.8	Very low	138 Å²	138	135.7 Å²	135.7	74%	0.738	74%	0.742	S	S	*	*			trans	70.5	76.1	154.2	-78.1	-56.7	0	0	0	122.6
813	S	29.9	Very low	28.7	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	75%	0.749	S	S	*	*				58.7	111.2	106	76.9	0	0	0	0	119.7
814	R	31.4	Very low	28.8	Very low	239 Å²	239	130.9 Å²	130.9	90%	0.902	73%	0.73	S	S	*	*				157.8	111.3	102	-174.4	171.8	-172.4	163.6	0.8	113.1
815	A	27.3	Very low	28.7	Very low	91 Å²	91	128.5 Å²	128.5	75%	0.752	73%	0.732	S	S	*	*			trans	26.1	134.7	157.4	0	0	0	0	0	120.6
816	S	28.5	Very low	28.5	Very low	113 Å²	113	127.2 Å²	127.2	79%	0.79	73%	0.731	S	S	*	*			cis	-156.5	153.9	41.3	-57.9	0	0	0	0	113.4
817	P	25.4	Very low	28.5	Very low	123 Å²	123	124.8 Å²	124.8	80%	0.799	72%	0.723	S	S	*	*			trans	-109.7	140.5	-174.5	38.2	-30.3	0	0	0	115.3
818	V	26.1	Very low	28.4	Very low	140 Å²	140	126.1 Å²	126.1	85%	0.848	72%	0.723	S	S	*	*			trans	-146.7	111.9	164.1	-174.3	0	0	0	0	112.2
819	S	26.5	Very low	28.2	Very low	108 Å²	108	124 Å²	124	76%	0.755	71%	0.706	S	S	*	*			trans	44.1	95.7	159.2	70.1	0	0	0	0	122
820	S	25.7	Very low	27.9	Very low	105 Å²	105	120.8 Å²	120.8	73%	0.734	69%	0.69	S	S	*	*				-71.8	161.1	128	44	0	0	0	0	110
821	S	24.6	Very low	27.7	Very low	88 Å²	88	121.5 Å²	121.5	62%	0.615	69%	0.693	S	S	*	*			cis	94.5	136.4	11.8	86	0	0	0	0	117.8
822	Q	26.9	Very low	27.7	Very low	183 Å²	183	121.5 Å²	121.5	86%	0.855	70%	0.704	S	S	*	*			trans	68.8	160.3	173.7	-70.8	124.4	-55.1	0	0	117.7
823	G	25.5	Very low	27.9	Very low	54 Å²	54	118.6 Å²	118.6	56%	0.557	69%	0.687	S	S	*	*			cis	-169	-128.3	4.2	0	0	0	0	0	115
824	Y	27.4	Very low	28.5	Very low	137 Å²	137	119.3 Å²	119.3	54%	0.537	68%	0.683	S	S	.	*			trans	78.8	125.2	177.7	-49.4	-76.7	0	0	0	117.9	T800 V801	T800-Y824 PolarHBondContact N-OH 3.21Å; V801-Y824 HydrophobicContact CB-CE1 3.96Å; V801-Y824 HydrophobicContact CG2-CD1 4.48Å; V801-Y824 HydrophobicContact CG2-CE1 3.72Å; V801-Y824 PolarHBondContact N-OH 2.87Å
825	V	26.3	Very low	29.4	Very low	114 Å²	114	114.1 Å²	114.1	69%	0.691	67%	0.674	S	S	*	*	S	Bend	cis	-142.6	120.9	-20.4	-163.8	0	0	0	0	109.2
826	T	26.4	Very low	30.9	Very low	107 Å²	107	114 Å²	114	66%	0.656	66%	0.663	S	S	*	*			trans	-148.2	36.3	155.9	57.5	0	0	0	0	112.2
827	D	27.4	Very low	32.8	Very low	125 Å²	125	112.2 Å²	112.2	67%	0.668	65%	0.645	S	S	*	*			trans	-107.8	116.1	176.4	-61.4	-63	0	0	0	109.5
828	F	28.7	Very low	35.2	Very low	167 Å²	167	109.5 Å²	109.5	73%	0.732	62%	0.619	S	S	*	*			trans	172.6	94	153.5	-95.4	-59.5	0	0	0	109
829	I	28.3	Very low	37.7	Very low	75 Å²	75	104.6 Å²	104.6	39%	0.385	59%	0.588	S	S	.	*			trans	178.1	96.2	146.1	-86.2	146.7	0	0	0	105.1
830	N	27.8	Very low	40.2	Very low	70 Å²	70	103.2 Å²	103.2	37%	0.374	57%	0.572	S	S	.	*			trans	-177	150.7	156	-108.6	-57.9	0	0	0	109.1	N21 L22	N21-N830 PolarHBondContact O-ND2 3.12Å; N21-N830 VanDerWaalsContact O-ND2 3.11Å; L22-N830 WeakPolarHBondContact CA-ND2 3.48Å; L22-N830 PolarHBondContact O-ND2 2.77Å
831	N	27.9	Very low	42.8	Very low	140 Å²	140	100.3 Å²	100.3	75%	0.749	55%	0.548	S	S	*	.	S	Bend	trans	69.9	108.6	-175.1	-49.2	-28.2	0	0	0	115.9	I833	N831-I833 VanDerWaalsContact C-N 3.35Å; N831-I833 PolarHBondContact O-N 2.93Å; N831-I833 VanDerWaalsContact O-N 3.12Å
832	S	31.4	Very low	45.6	Very low	134 Å²	134	96.4 Å²	96.4	94%	0.937	52%	0.52	S	S	*	.	S	Bend	trans	49.7	41.9	156.1	-160.9	0	0	0	0	117.2
833	I	37.1	Very low	48.4	Very low	77 Å²	77	90.3 Å²	90.3	40%	0.395	49%	0.493	S	S	.	.			trans	-100.3	121.4	172	-73.4	173.2	0	0	0	106.4	N831 D837	N831-I833 VanDerWaalsContact C-N 3.35Å; N831-I833 PolarHBondContact O-N 2.93Å; N831-I833 VanDerWaalsContact O-N 3.12Å; I833-D837 HydrophobicContact CG2-CB 3.43Å; I833-D837 VanDerWaalsContact CG2-CB 3.43Å
834	D	42.8	Very low	51.3	Low	116 Å²	116	94.2 Å²	94.2	62%	0.62	50%	0.497	S	S	*	.			trans	-65.2	156.9	-175	-90.1	-39.8	0	0	0	111.5	T836 D837	D834-T836 PolarHBondContact O-N 3.15Å; D834-D837 PolarHBondContact O-N 3.31Å
835	N	48.9	Very low	54.1	Low	130 Å²	130	92.1 Å²	92.1	70%	0.695	49%	0.491	S	S	*	.	H	α-helix	trans	-56.1	-21.7	176.5	-77.2	-12.4	0	0	0	113.1	Y910	N835-Y910 WeakPolarHBondContact CB-OH 3.4Å; N835-Y910 PolarHBondContact O-OH 3.31Å
836	T	60.5	Low	56.9	Low	87 Å²	87	87.3 Å²	87.3	53%	0.534	46%	0.461	S	S	.	.	H	α-helix	trans	-66.4	-42.7	171.2	-30.7	0	0	0	0	112.5	D834 L839 N840	D834-T836 PolarHBondContact O-N 3.15Å; T836-L839 WeakPolarHBondContact O-CB 3.35Å; T836-L839 PolarHBondContact O-N 2.84Å; T836-N840 PolarHBondContact O-N 3.36Å; T836-N840 PolarHBondContact O-ND2 3.28Å
837	D	67.8	Low	59.6	Low	76 Å²	76	84.8 Å²	84.8	41%	0.406	45%	0.451	S	S	.	.	H	α-helix	trans	-77.8	-33.4	-167.6	-73.1	-26.6	0	0	0	113.2	I833 D834 L839 N840 L841	I833-D837 HydrophobicContact CG2-CB 3.43Å; I833-D837 VanDerWaalsContact CG2-CB 3.43Å; D834-D837 PolarHBondContact O-N 3.31Å; D837-L839 VanDerWaalsContact C-N 3.3Å; D837-L839 PolarHBondContact O-N 2.69Å; D837-N840 PolarHBondContact O-N 2.81Å; D837-L841 WeakPolarHBondContact O-CB 3.32Å; D837-L841 PolarHBondContact O-N 2.78Å
838	W	75.4	Confident	62.4	Low	66 Å²	66	81 Å²	81	25%	0.25	44%	0.435	C	S	.	.	H	α-helix	trans	-62.4	-41.1	171.2	-176.8	89.6	0	0	0	111.2	L841 I842 Y910	W838-L841 PolarHBondContact O-N 3.32Å; W838-I842 HydrophobicContact CD2-CD1 4Å; W838-I842 HydrophobicContact CE3-CD1 4.03Å; W838-I842 HydrophobicContact CH2-CD1 3.38Å; W838-I842 HydrophobicContact CZ2-CD1 3.32Å; W838-I842 HydrophobicContact CZ3-CD1 3.72Å; W838-I842 PolarHBondContact O-N 2.9Å; W838-Y910 AromaticContact CE3-CD1 3.99Å; W838-Y910 HydrophobicContact CE3-CD1 3.99Å; W838-Y910 HydrophobicContact CE3-CD2 4.13Å; W838-Y910 HydrophobicContact CE3-CE1 4.04Å; W838-Y910 HydrophobicContact CE3-CE2 4.2Å; W838-Y910 HydrophobicContact CE3-CG 4.01Å; W838-Y910 HydrophobicContact CH2-CD2 4.24Å; W838-Y910 AromaticContact CH2-CG 3.99Å; W838-Y910 HydrophobicContact CH2-CG 3.99Å; W838-Y910 AromaticContact CZ3-CD1 3.56Å; W838-Y910 HydrophobicContact CZ3-CD1 3.56Å; W838-Y910 AromaticContact CZ3-CD2 3.72Å; W838-Y910 HydrophobicContact CZ3-CD2 3.72Å; W838-Y910 HydrophobicContact CZ3-CE1 4.1Å; W838-Y910 HydrophobicContact CZ3-CE2 4.26Å; W838-Y910 AromaticContact CZ3-CG 3.32Å; W838-Y910 HydrophobicContact CZ3-CG 3.32Å
839	L	78.1	Confident	64.9	Low	37 Å²	37	73.9 Å²	73.9	19%	0.194	40%	0.404	C	S	.	.	H	α-helix	trans	-67	-40.6	175.6	-173.1	63	0	0	0	111.1	T836 D837 I842 N843 K907	T836-L839 WeakPolarHBondContact O-CB 3.35Å; T836-L839 PolarHBondContact O-N 2.84Å; D837-L839 VanDerWaalsContact C-N 3.3Å; D837-L839 PolarHBondContact O-N 2.69Å; L839-I842 PolarHBondContact O-N 3.2Å; L839-N843 WeakPolarHBondContact O-CB 3.48Å; L839-N843 PolarHBondContact O-N 3.02Å; L839-N843 PolarHBondContact O-ND2 3.49Å; L839-N843 VanDerWaalsContact O-ND2 3.14Å; L839-K907 HydrophobicContact CD1-CD 4.24Å; L839-K907 HydrophobicContact CD1-CG 3.98Å
840	N	79	Confident	67.6	Low	80 Å²	80	77 Å²	77	43%	0.428	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-46.3	173	-68.8	-25.5	0	0	0	112	T836 D837 I842 N843 Q844	T836-N840 PolarHBondContact O-N 3.36Å; T836-N840 PolarHBondContact O-ND2 3.28Å; D837-N840 PolarHBondContact O-N 2.81Å; N840-I842 VanDerWaalsContact C-N 3.34Å; N840-I842 PolarHBondContact O-N 3.3Å; N840-N843 PolarHBondContact O-N 2.92Å; N840-Q844 WeakPolarHBondContact O-CB 3.48Å; N840-Q844 PolarHBondContact O-N 3.11Å
841	L	81.6	Confident	70.4	Confident	44 Å²	44	79.4 Å²	79.4	23%	0.23	42%	0.42	C	S	.	.	H	α-helix	trans	-61.9	-38.8	177.8	-178.7	64.6	0	0	0	112.2	D837 W838 K845	D837-L841 WeakPolarHBondContact O-CB 3.32Å; D837-L841 PolarHBondContact O-N 2.78Å; W838-L841 PolarHBondContact O-N 3.32Å; L841-K845 HydrophobicContact CG-CD 4.49Å; L841-K845 VanDerWaalsContact O-CG 3.31Å; L841-K845 WeakPolarHBondContact O-CG 3.42Å; L841-K845 PolarHBondContact O-N 2.89Å
842	I	82.2	Confident	73	Confident	6 Å²	6	77.7 Å²	77.7	3%	0.031	41%	0.406	C	S	.	.	H	α-helix	trans	-71.4	-41.9	174.1	-74.6	-174.3	0	0	0	111.5	W838 L839 N840 Q844 K845 I846 Q906 K907	W838-I842 HydrophobicContact CD2-CD1 4Å; W838-I842 HydrophobicContact CE3-CD1 4.03Å; W838-I842 HydrophobicContact CH2-CD1 3.38Å; W838-I842 HydrophobicContact CZ2-CD1 3.32Å; W838-I842 HydrophobicContact CZ3-CD1 3.72Å; W838-I842 PolarHBondContact O-N 2.9Å; L839-I842 PolarHBondContact O-N 3.2Å; N840-I842 VanDerWaalsContact C-N 3.34Å; N840-I842 PolarHBondContact O-N 3.3Å; I842-Q844 VanDerWaalsContact C-N 3.29Å; I842-Q844 PolarHBondContact O-N 2.95Å; I842-K845 PolarHBondContact O-N 3.37Å; I842-I846 HydrophobicContact CG2-CD1 3.65Å; I842-I846 HydrophobicContact CG2-CG1 4.26Å; I842-I846 WeakPolarHBondContact O-CB 3.15Å; I842-I846 VanDerWaalsContact O-CG1 3.3Å; I842-I846 WeakPolarHBondContact O-CG1 3.41Å; I842-I846 PolarHBondContact O-N 3.05Å; I842-Q906 HydrophobicContact CD1-CB 4.47Å; I842-K907 HydrophobicContact CG2-CB 4.15Å
843	N	85.3	Confident	75.3	Confident	54 Å²	54	72.1 Å²	72.1	29%	0.289	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-42.3	173.7	-71	-30.4	0	0	0	111.5	L839 N840 I846 A847 K907	L839-N843 WeakPolarHBondContact O-CB 3.48Å; L839-N843 PolarHBondContact O-N 3.02Å; L839-N843 PolarHBondContact O-ND2 3.49Å; L839-N843 VanDerWaalsContact O-ND2 3.14Å; N840-N843 PolarHBondContact O-N 2.92Å; N843-I846 PolarHBondContact O-N 3.14Å; N843-A847 WeakPolarHBondContact O-CB 3.4Å; N843-A847 PolarHBondContact O-N 3.25Å; N843-K907 WeakPolarHBondContact OD1-CE 3.44Å; N843-K907 PolarHBondContact OD1-NZ 3.49Å
844	Q	86.6	Confident	77.3	Confident	136 Å²	136	69.9 Å²	69.9	64%	0.636	36%	0.361	S	S	*	.	H	α-helix	trans	-65.4	-41.9	176.7	-167.8	-175.6	23.9	0	0	112.3	N840 I842 A847 S848	N840-Q844 WeakPolarHBondContact O-CB 3.48Å; N840-Q844 PolarHBondContact O-N 3.11Å; I842-Q844 VanDerWaalsContact C-N 3.29Å; I842-Q844 PolarHBondContact O-N 2.95Å; Q844-A847 PolarHBondContact O-N 3.27Å; Q844-S848 WeakPolarHBondContact O-CB 3.35Å; Q844-S848 PolarHBondContact O-N 3.4Å
845	K	85.9	Confident	79	Confident	94 Å²	94	69 Å²	69	41%	0.409	35%	0.353	S	S	.	.	H	α-helix	trans	-64.8	-42.7	174.4	-74	170	-179.5	173.6	0	112.1	L841 I842 S848 I849 L903	L841-K845 HydrophobicContact CG-CD 4.49Å; L841-K845 VanDerWaalsContact O-CG 3.31Å; L841-K845 WeakPolarHBondContact O-CG 3.42Å; L841-K845 PolarHBondContact O-N 2.89Å; I842-K845 PolarHBondContact O-N 3.37Å; K845-S848 PolarHBondContact O-N 3.48Å; K845-I849 WeakPolarHBondContact O-CG1 3.29Å; K845-I849 PolarHBondContact O-N 3.24Å; K845-L903 HydrophobicContact CB-CD1 3.89Å
846	I	84.9	Confident	80.1	Confident	12 Å²	12	63.8 Å²	63.8	6%	0.062	33%	0.325	C	S	.	.	H	α-helix	trans	-59.3	-46.6	174	-74.8	170.7	0	0	0	110.3	I842 N843 I849 R850 L900 L903 E904 K907	I842-I846 HydrophobicContact CG2-CD1 3.65Å; I842-I846 HydrophobicContact CG2-CG1 4.26Å; I842-I846 WeakPolarHBondContact O-CB 3.15Å; I842-I846 VanDerWaalsContact O-CG1 3.3Å; I842-I846 WeakPolarHBondContact O-CG1 3.41Å; I842-I846 PolarHBondContact O-N 3.05Å; N843-I846 PolarHBondContact O-N 3.14Å; I846-I849 PolarHBondContact O-N 2.96Å; I846-R850 HydrophobicContact CG2-CG 4.5Å; I846-R850 WeakPolarHBondContact O-CB 3.28Å; I846-R850 VanDerWaalsContact O-CG 3.26Å; I846-R850 WeakPolarHBondContact O-CG 3.36Å; I846-R850 PolarHBondContact O-N 3.49Å; I846-L900 HydrophobicContact CB-CD1 4.36Å; I846-L900 HydrophobicContact CG1-CD1 4.31Å; I846-L900 HydrophobicContact CG2-CD1 3.9Å; I846-L903 HydrophobicContact CD1-CB 4.23Å; I846-L903 HydrophobicContact CG1-CB 3.79Å; I846-L903 HydrophobicContact CG1-CD1 4.44Å; I846-E904 HydrophobicContact CD1-CG 4.07Å; I846-K907 HydrophobicContact CD1-CD 4.15Å
847	A	84.1	Confident	80.6	Confident	55 Å²	55	64.8 Å²	64.8	46%	0.455	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-47.4	176.4	0	0	0	0	0	112.1	N843 Q844 I849 R850 Q851	N843-A847 WeakPolarHBondContact O-CB 3.4Å; N843-A847 PolarHBondContact O-N 3.25Å; Q844-A847 PolarHBondContact O-N 3.27Å; A847-I849 PolarHBondContact O-N 3.02Å; A847-R850 PolarHBondContact O-N 2.75Å; A847-Q851 WeakPolarHBondContact O-CB 3.37Å; A847-Q851 PolarHBondContact O-N 2.79Å
848	S	85.5	Confident	80.8	Confident	46 Å²	46	65.7 Å²	65.7	32%	0.322	33%	0.327	S	S	.	.	H	α-helix	trans	-62.1	-39.4	178.2	-175	0	0	0	0	112.9	Q844 K845 Q851 K852	Q844-S848 WeakPolarHBondContact O-CB 3.35Å; Q844-S848 PolarHBondContact O-N 3.4Å; K845-S848 PolarHBondContact O-N 3.48Å; S848-Q851 PolarHBondContact O-N 2.83Å; S848-K852 WeakPolarHBondContact O-CG 3.42Å; S848-K852 PolarHBondContact O-N 3.39Å
849	I	82	Confident	80.3	Confident	17 Å²	17	66.8 Å²	66.8	9%	0.087	34%	0.337	C	S	.	.	H	α-helix	trans	-72.7	-39.2	177.2	-68.7	162.4	0	0	0	111	K845 I846 A847 Q851 K852 I853 L896 Q899 L900 L903	K845-I849 WeakPolarHBondContact O-CG1 3.29Å; K845-I849 PolarHBondContact O-N 3.24Å; I846-I849 PolarHBondContact O-N 2.96Å; A847-I849 PolarHBondContact O-N 3.02Å; I849-Q851 VanDerWaalsContact C-N 3.33Å; I849-Q851 PolarHBondContact O-N 3Å; I849-K852 PolarHBondContact O-N 2.93Å; I849-I853 HydrophobicContact CG2-CD1 3.85Å; I849-I853 HydrophobicContact CG2-CG1 4.39Å; I849-I853 VanDerWaalsContact O-CG1 3.3Å; I849-I853 WeakPolarHBondContact O-CG1 3.21Å; I849-I853 PolarHBondContact O-N 3Å; I849-L896 HydrophobicContact CG2-CB 4.18Å; I849-L896 WeakPolarHBondContact CG2-O 3.23Å; I849-Q899 HydrophobicContact CD1-CB 4.22Å; I849-L900 HydrophobicContact CG2-CB 3.86Å; I849-L903 HydrophobicContact CD1-CD1 3.49Å; I849-L903 VanDerWaalsContact CD1-CD1 3.49Å
850	R	85.5	Confident	79.4	Confident	140 Å²	140	66.1 Å²	66.1	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-60	-41.9	171.9	-74.1	173.4	177.2	-163.6	-0.5	111.6	I846 A847 I853 G854 L900 E904	I846-R850 HydrophobicContact CG2-CG 4.5Å; I846-R850 WeakPolarHBondContact O-CB 3.28Å; I846-R850 VanDerWaalsContact O-CG 3.26Å; I846-R850 WeakPolarHBondContact O-CG 3.36Å; I846-R850 PolarHBondContact O-N 3.49Å; A847-R850 PolarHBondContact O-N 2.75Å; R850-I853 PolarHBondContact O-N 3.44Å; R850-G854 PolarHBondContact O-N 2.8Å; R850-L900 HydrophobicContact CG-CD1 3.9Å; R850-L900 HydrophobicContact CG-CD2 3.86Å; R850-E904 IonicContact CZ-OE1 2.79Å; R850-E904 IonicContact NE-OE1 3.63Å; R850-E904 IonicContact NH2-OE1 3.26Å; R850-E904 PolarHBondContact NH2-OE1 2.93Å
851	Q	86.7	Confident	78.3	Confident	120 Å²	120	64.9 Å²	64.9	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-60.2	-47.8	174	-173.7	-176	16.5	0	0	111.6	A847 S848 I849 I853 G854 Q855	A847-Q851 WeakPolarHBondContact O-CB 3.37Å; A847-Q851 PolarHBondContact O-N 2.79Å; S848-Q851 PolarHBondContact O-N 2.83Å; I849-Q851 VanDerWaalsContact C-N 3.33Å; I849-Q851 PolarHBondContact O-N 3Å; Q851-I853 PolarHBondContact O-N 2.68Å; Q851-G854 PolarHBondContact O-N 3.17Å; Q851-Q855 WeakPolarHBondContact O-CG 3.39Å; Q851-Q855 PolarHBondContact O-N 2.99Å
852	K	82.3	Confident	76.5	Confident	105 Å²	105	70.2 Å²	70.2	46%	0.457	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-38.6	176.6	-72.3	175.4	-178.5	-175.5	0	113	S848 I849 M856 L896	S848-K852 WeakPolarHBondContact O-CG 3.42Å; S848-K852 PolarHBondContact O-N 3.39Å; I849-K852 PolarHBondContact O-N 2.93Å; K852-M856 WeakPolarHBondContact O-CB 3.14Å; K852-M856 WeakPolarHBondContact O-CG 3.26Å; K852-M856 PolarHBondContact O-N 3.36Å; K852-L896 HydrophobicContact CB-CD1 3.55Å; K852-L896 HydrophobicContact CD-CD1 4.34Å
853	I	79.7	Confident	74.6	Confident	17 Å²	17	71.7 Å²	71.7	9%	0.087	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-40.9	173.8	-69	166.3	0	0	0	110.3	I849 R850 Q851 M856 K857 L896 Q897 L900	I849-I853 HydrophobicContact CG2-CD1 3.85Å; I849-I853 HydrophobicContact CG2-CG1 4.39Å; I849-I853 VanDerWaalsContact O-CG1 3.3Å; I849-I853 WeakPolarHBondContact O-CG1 3.21Å; I849-I853 PolarHBondContact O-N 3Å; R850-I853 PolarHBondContact O-N 3.44Å; Q851-I853 PolarHBondContact O-N 2.68Å; I853-M856 PolarHBondContact O-N 2.95Å; I853-K857 HydrophobicContact CG2-CG 4.44Å; I853-K857 WeakPolarHBondContact O-CB 3.45Å; I853-K857 WeakPolarHBondContact O-CG 3.5Å; I853-K857 PolarHBondContact O-N 2.73Å; I853-L896 HydrophobicContact CD1-CB 3.98Å; I853-L896 HydrophobicContact CG1-CB 3.66Å; I853-L896 HydrophobicContact CG1-CD1 4.16Å; I853-Q897 HydrophobicContact CD1-CG 4.18Å; I853-L900 HydrophobicContact CD1-CB 4.31Å; I853-L900 HydrophobicContact CD1-CD2 3.89Å
854	G	78.7	Confident	72.5	Confident	29 Å²	29	75.5 Å²	75.5	30%	0.299	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-52.7	173.6	0	0	0	0	0	112.3	R850 Q851 M856 K857 N858	R850-G854 PolarHBondContact O-N 2.8Å; Q851-G854 PolarHBondContact O-N 3.17Å; G854-M856 VanDerWaalsContact C-N 3.34Å; G854-M856 PolarHBondContact O-N 2.99Å; G854-K857 PolarHBondContact O-N 3.29Å; G854-K857 VanDerWaalsContact O-N 3.17Å; G854-N858 VanDerWaalsContact O-CG 3.25Å; G854-N858 PolarHBondContact O-N 3.44Å; G854-N858 PolarHBondContact O-OD1 3.27Å
855	Q	77.5	Confident	70.5	Confident	97 Å²	97	74.3 Å²	74.3	45%	0.453	37%	0.372	S	S	.	.	H	α-helix	trans	-54.7	-46.9	175.7	-73.1	171	-33.6	0	0	111.9	Q851 N858 N859	Q851-Q855 WeakPolarHBondContact O-CG 3.39Å; Q851-Q855 PolarHBondContact O-N 2.99Å; Q855-N858 PolarHBondContact O-N 3.31Å; Q855-N859 PolarHBondContact O-N 3.16Å; Q855-N859 PolarHBondContact O-OD1 3.41Å
856	M	71.8	Confident	68.4	Low	21 Å²	21	74.2 Å²	74.2	10%	0.103	38%	0.376	C	S	.	.	H	α-helix	trans	-67.9	-40.8	176.6	-70.5	-168.5	-55.9	0	0	112.9	K852 I853 G854 N858 N859 L860 L892 I893 L896	K852-M856 WeakPolarHBondContact O-CB 3.14Å; K852-M856 WeakPolarHBondContact O-CG 3.26Å; K852-M856 PolarHBondContact O-N 3.36Å; I853-M856 PolarHBondContact O-N 2.95Å; G854-M856 VanDerWaalsContact C-N 3.34Å; G854-M856 PolarHBondContact O-N 2.99Å; M856-N858 VanDerWaalsContact C-N 3.29Å; M856-N858 PolarHBondContact O-N 3.17Å; M856-N859 CarbonylContact O-C 3.58Å; M856-N859 PolarHBondContact O-N 3.31Å; M856-N859 VanDerWaalsContact O-N 3.09Å; M856-L860 WeakPolarHBondContact O-CD1 3.45Å; M856-L860 PolarHBondContact O-N 3.37Å; M856-L892 HydrophobicContact CE-CG 4.14Å; M856-L892 HydrophobicContact SD-CB 4.39Å; M856-L892 HydrophobicContact SD-CD2 3.53Å; M856-L892 VanDerWaalsContact SD-CD2 3.53Å; M856-L892 HydrophobicContact SD-CG 3.66Å; M856-I893 HydrophobicContact CB-CD1 4.17Å; M856-I893 HydrophobicContact CB-CG1 4.02Å; M856-I893 HydrophobicContact CE-CG1 3.84Å; M856-L896 HydrophobicContact CE-CB 4.38Å; M856-L896 HydrophobicContact CE-CD1 3.41Å; M856-L896 VanDerWaalsContact CE-CD1 3.41Å; M856-L896 HydrophobicContact CE-CG 3.84Å
857	K	72.4	Confident	66.1	Low	109 Å²	109	79.1 Å²	79.1	47%	0.474	39%	0.394	S	S	.	.	H	α-helix	trans	-57.1	-43.8	174.9	-84.7	-167	169.4	-157.3	0	111.5	I853 G854 L860 S861 I893	I853-K857 HydrophobicContact CG2-CG 4.44Å; I853-K857 WeakPolarHBondContact O-CB 3.45Å; I853-K857 WeakPolarHBondContact O-CG 3.5Å; I853-K857 PolarHBondContact O-N 2.73Å; G854-K857 PolarHBondContact O-N 3.29Å; G854-K857 VanDerWaalsContact O-N 3.17Å; K857-L860 PolarHBondContact O-N 3.11Å; K857-S861 PolarHBondContact O-N 3.13Å; K857-S861 VanDerWaalsContact O-N 3.08Å; K857-I893 HydrophobicContact CG-CD1 4.36Å
858	N	72.1	Confident	64.1	Low	95 Å²	95	82.6 Å²	82.6	51%	0.508	41%	0.409	S	S	.	.	H	α-helix	trans	-62	-44.6	174.2	-62.6	4.5	0	0	0	110.7	G854 Q855 M856 L860 S861 Y862	G854-N858 VanDerWaalsContact O-CG 3.25Å; G854-N858 PolarHBondContact O-N 3.44Å; G854-N858 PolarHBondContact O-OD1 3.27Å; Q855-N858 PolarHBondContact O-N 3.31Å; M856-N858 VanDerWaalsContact C-N 3.29Å; M856-N858 PolarHBondContact O-N 3.17Å; N858-L860 VanDerWaalsContact C-N 3.26Å; N858-L860 PolarHBondContact O-N 3.22Å; N858-S861 PolarHBondContact O-N 3.14Å; N858-S861 VanDerWaalsContact O-N 3.11Å; N858-S861 PolarHBondContact O-OG 2.84Å; N858-Y862 WeakPolarHBondContact O-CD2 3Å; N858-Y862 PolarHBondContact O-N 3.12Å
859	N	64.5	Low	61.8	Low	88 Å²	88	86.2 Å²	86.2	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-62.6	-30	176.4	-65.3	-0.4	0	0	0	112.8	Q855 M856 S863	Q855-N859 PolarHBondContact O-N 3.16Å; Q855-N859 PolarHBondContact O-OD1 3.41Å; M856-N859 CarbonylContact O-C 3.58Å; M856-N859 PolarHBondContact O-N 3.31Å; M856-N859 VanDerWaalsContact O-N 3.09Å; N859-S863 WeakPolarHBondContact O-CB 3.5Å; N859-S863 PolarHBondContact O-N 2.95Å
860	L	59.3	Low	59.5	Low	23 Å²	23	90.3 Å²	90.3	12%	0.12	44%	0.438	C	S	.	.	H	α-helix	trans	-75	-32	172.2	-85.5	81.7	0	0	0	113.4	M856 K857 N858 S863 K864 F889 L890 I893	M856-L860 WeakPolarHBondContact O-CD1 3.45Å; M856-L860 PolarHBondContact O-N 3.37Å; K857-L860 PolarHBondContact O-N 3.11Å; N858-L860 VanDerWaalsContact C-N 3.26Å; N858-L860 PolarHBondContact O-N 3.22Å; L860-S863 PolarHBondContact O-N 2.83Å; L860-K864 PolarHBondContact O-N 3.36Å; L860-F889 HydrophobicContact CD1-CB 3.85Å; L860-F889 HydrophobicContact CD1-CD1 3.66Å; L860-F889 HydrophobicContact CD1-CE1 4.5Å; L860-F889 HydrophobicContact CD1-CG 3.95Å; L860-F889 HydrophobicContact CD2-CB 4.36Å; L860-F889 HydrophobicContact CG-CB 4.22Å; L860-L890 HydrophobicContact CD2-CD2 4.18Å; L860-I893 HydrophobicContact CD1-CD1 3.55Å; L860-I893 HydrophobicContact CD2-CD1 4Å; L860-I893 HydrophobicContact CG-CD1 4.39Å
861	S	54.6	Low	57.1	Low	55 Å²	55	88.3 Å²	88.3	39%	0.385	43%	0.433	S	S	.	.	H	α-helix	trans	-68	-51.6	172.4	59.7	0	0	0	0	110.1	K857 N858 S863 K864 D865	K857-S861 PolarHBondContact O-N 3.13Å; K857-S861 VanDerWaalsContact O-N 3.08Å; N858-S861 PolarHBondContact O-N 3.14Å; N858-S861 VanDerWaalsContact O-N 3.11Å; N858-S861 PolarHBondContact O-OG 2.84Å; S861-S863 PolarHBondContact O-N 3.49Å; S861-S863 VanDerWaalsContact O-N 3.1Å; S861-K864 PolarHBondContact O-N 3.32Å; S861-D865 PolarHBondContact O-N 3.02Å
862	Y	44.8	Very low	54.6	Low	156 Å²	156	92.3 Å²	92.3	61%	0.612	45%	0.452	S	S	*	.	H	α-helix	trans	-53	-35.1	172.5	-85.2	-76.2	0	0	0	113.3	N858 N866	N858-Y862 WeakPolarHBondContact O-CD2 3Å; N858-Y862 PolarHBondContact O-N 3.12Å; Y862-N866 PolarHBondContact O-N 3.27Å
863	S	43	Very low	52.2	Low	37 Å²	37	92 Å²	92	26%	0.259	45%	0.454	S	S	.	.	H	α-helix	trans	-84.2	-8.7	177.5	-171.3	0	0	0	0	115.2	N859 L860 S861 R867	N859-S863 WeakPolarHBondContact O-CB 3.5Å; N859-S863 PolarHBondContact O-N 2.95Å; L860-S863 PolarHBondContact O-N 2.83Å; S861-S863 PolarHBondContact O-N 3.49Å; S861-S863 VanDerWaalsContact O-N 3.1Å; S863-R867 PolarHBondContact OG-NE 2.97Å
864	K	41.2	Very low	50.2	Low	134 Å²	134	96.1 Å²	96.1	58%	0.583	48%	0.48	S	S	*	.	H	α-helix	trans	-82.8	-43.3	168	-84.9	-172.5	172.8	-169.7	0	111	L860 S861	L860-K864 PolarHBondContact O-N 3.36Å; S861-K864 PolarHBondContact O-N 3.32Å
865	D	43.8	Very low	48.2	Very low	110 Å²	110	102.9 Å²	102.9	59%	0.588	50%	0.504	S	S	*	.	H	α-helix	trans	-79.1	-36.5	-168.2	-53.8	-32.7	0	0	0	112.3	S861	S861-D865 PolarHBondContact O-N 3.02Å
866	N	41.4	Very low	46.3	Very low	92 Å²	92	104 Å²	104	49%	0.492	52%	0.518	S	S	.	.	G	3₁₀ helix	trans	-87.9	-18.8	-174.4	-72.9	-11.5	0	0	0	115.4	Y862 V868	Y862-N866 PolarHBondContact O-N 3.27Å; N866-V868 VanDerWaalsContact C-N 3.35Å; N866-V868 PolarHBondContact O-N 2.98Å
867	R	38.1	Very low	44.6	Very low	116 Å²	116	107 Å²	107	44%	0.438	54%	0.54	S	S	.	.	G	3₁₀ helix	trans	-85.8	3.5	-173.7	-66.4	-163.6	-169.9	-138.2	0.2	115.6	S863	S863-R867 PolarHBondContact OG-NE 2.97Å
868	V	40.3	Very low	43.1	Very low	127 Å²	127	104.3 Å²	104.3	77%	0.77	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-99.3	-8.8	-178.5	-174.7	0	0	0	0	112.2	N866	N866-V868 VanDerWaalsContact C-N 3.35Å; N866-V868 PolarHBondContact O-N 2.98Å
869	K	38	Very low	41.8	Very low	122 Å²	122	103.1 Å²	103.1	53%	0.53	53%	0.531	S	S	.	.	S	Bend	trans	-108.9	-4.7	-170.3	-71.4	178.7	175.7	168.9	0	116.1	D602	D602-K869 PolarHBondContact O-NZ 3.29Å; D602-K869 WeakPolarHBondContact OD1-CE 3.27Å; D602-K869 IonicContact OD1-NZ 2.79Å; D602-K869 PolarHBondContact OD1-NZ 3.46Å
870	Q	34	Very low	40.7	Very low	103 Å²	103	106.2 Å²	106.2	48%	0.481	54%	0.541	S	S	.	.	S	Bend	trans	-130.5	157	175.4	-79.6	162.3	-40.8	0	0	110.9	E728	E728-Q870 PolarHBondContact OE1-NE2 2.91Å
871	F	34.1	Very low	39.8	Very low	98 Å²	98	109.2 Å²	109.2	43%	0.43	56%	0.56	S	S	.	*			trans	75.8	79.7	-176.7	-70.8	-85.3	0	0	0	119.2	E311 I873 V878	E311-F871 WeakPolarHBondContact OE1-CE2 3.32Å; E311-F871 WeakPolarHBondContact OE1-CZ 3.16Å; F871-I873 HydrophobicContact CD1-CB 4.22Å; F871-I873 HydrophobicContact CD1-CD1 3.67Å; F871-I873 HydrophobicContact CD1-CG1 3.86Å; F871-I873 HydrophobicContact CE1-CD1 3.78Å; F871-I873 HydrophobicContact CE1-CG1 4.46Å; F871-I873 PolarHBondContact O-N 3.16Å; F871-I873 VanDerWaalsContact O-N 3.08Å; F871-V878 HydrophobicContact CB-CG2 4.48Å
872	Q	34	Very low	39.4	Very low	204 Å²	204	108.5 Å²	108.5	95%	0.953	56%	0.555	S	S	*	*			trans	-73.8	68	147	-71	-172.1	-16.5	0	0	111.4
873	I	33.2	Very low	39.7	Very low	98 Å²	98	106.2 Å²	106.2	50%	0.503	55%	0.552	S	S	.	*	S	Bend	trans	-132.9	109.2	171	-59.8	-172.6	0	0	0	110.1	F871 V878	F871-I873 HydrophobicContact CD1-CB 4.22Å; F871-I873 HydrophobicContact CD1-CD1 3.67Å; F871-I873 HydrophobicContact CD1-CG1 3.86Å; F871-I873 HydrophobicContact CE1-CD1 3.78Å; F871-I873 HydrophobicContact CE1-CG1 4.46Å; F871-I873 PolarHBondContact O-N 3.16Å; F871-I873 VanDerWaalsContact O-N 3.08Å; I873-V878 WeakPolarHBondContact O-CG2 3.48Å
874	T	37.6	Very low	39.9	Very low	104 Å²	104	110.9 Å²	110.9	64%	0.638	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	30.8	91.4	169.9	55.3	0	0	0	0	115.6	V876 C877	T874-V876 PolarHBondContact O-N 2.92Å; T874-C877 PolarHBondContact O-N 3.49Å; T874-C877 VanDerWaalsContact O-N 3.1Å
875	E	36.9	Very low	40.4	Very low	172 Å²	172	107.2 Å²	107.2	80%	0.804	55%	0.554	S	S	*	*	H	α-helix	trans	-42.8	-35.7	-168.8	-58.7	-179.6	134.7	0	0	115.8	C877 S879	E875-C877 PolarHBondContact O-N 2.99Å; E875-S879 WeakPolarHBondContact O-CB 3.34Å; E875-S879 PolarHBondContact O-N 2.93Å; E875-S879 PolarHBondContact O-OG 2.7Å
876	V	36.9	Very low	41	Very low	121 Å²	121	107.5 Å²	107.5	73%	0.733	55%	0.548	S	S	*	.	H	α-helix	trans	-60.8	-38.3	-176.7	-173.6	0	0	0	0	113.1	T874	T874-V876 PolarHBondContact O-N 2.92Å
877	C	36.2	Very low	41.7	Very low	83 Å²	83	108.5 Å²	108.5	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-86.5	-43.2	-173	-67.5	0	0	0	0	113.1	T874 E875 F880 V881	T874-C877 PolarHBondContact O-N 3.49Å; T874-C877 VanDerWaalsContact O-N 3.1Å; E875-C877 PolarHBondContact O-N 2.99Å; C877-F880 PolarHBondContact O-N 3.35Å; C877-V881 PolarHBondContact O-N 3.07Å; C877-V881 VanDerWaalsContact O-N 3.12Å
878	V	41.4	Very low	42.7	Very low	53 Å²	53	108.6 Å²	108.6	32%	0.321	55%	0.551	S	S	.	*	H	α-helix	trans	-68.8	-40.3	-177.7	-180	0	0	0	0	110.9	F871 I873 F880 V881 C882	F871-V878 HydrophobicContact CB-CG2 4.48Å; I873-V878 WeakPolarHBondContact O-CG2 3.48Å; V878-F880 VanDerWaalsContact C-N 3.29Å; V878-F880 PolarHBondContact O-N 3.5Å; V878-V881 PolarHBondContact O-N 2.91Å; V878-C882 WeakPolarHBondContact O-CB 3.25Å; V878-C882 PolarHBondContact O-N 3.46Å
879	S	44.7	Very low	43.8	Very low	69 Å²	69	105.2 Å²	105.2	48%	0.483	53%	0.526	S	S	.	.	H	α-helix	trans	-59.3	-39.9	171.8	-67.6	0	0	0	0	112.2	E875 L883	E875-S879 WeakPolarHBondContact O-CB 3.34Å; E875-S879 PolarHBondContact O-N 2.93Å; E875-S879 PolarHBondContact O-OG 2.7Å; S879-L883 VanDerWaalsContact O-CB 3.24Å; S879-L883 WeakPolarHBondContact O-CB 3.45Å; S879-L883 WeakPolarHBondContact O-CG 3.32Å; S879-L883 PolarHBondContact O-N 3.36Å
880	F	40.3	Very low	45.1	Very low	153 Å²	153	101.3 Å²	101.3	67%	0.671	51%	0.511	S	S	*	.	H	α-helix	trans	-66.2	-43.8	-179.6	-141.1	-89.3	0	0	0	112.2	C877 V878 F884	C877-F880 PolarHBondContact O-N 3.35Å; V878-F880 VanDerWaalsContact C-N 3.29Å; V878-F880 PolarHBondContact O-N 3.5Å; F880-F884 VanDerWaalsContact O-CB 3.24Å; F880-F884 WeakPolarHBondContact O-CB 3.2Å; F880-F884 PolarHBondContact O-N 3.05Å
881	V	42.3	Very low	46.6	Very low	87 Å²	87	99.7 Å²	99.7	53%	0.527	51%	0.508	S	S	.	.	H	α-helix	trans	-68.3	-40.9	178	175.8	0	0	0	0	111.6	C877 V878 F884 L885	C877-V881 PolarHBondContact O-N 3.07Å; C877-V881 VanDerWaalsContact O-N 3.12Å; V878-V881 PolarHBondContact O-N 2.91Å; V881-F884 PolarHBondContact O-N 2.88Å; V881-L885 HydrophobicContact CG1-CD1 3.97Å; V881-L885 WeakPolarHBondContact O-CB 3.46Å; V881-L885 WeakPolarHBondContact O-CG 3.44Å; V881-L885 PolarHBondContact O-N 3.39Å
882	C	44.5	Very low	48.2	Very low	40 Å²	40	98.2 Å²	98.2	27%	0.27	50%	0.504	S	S	.	.	H	α-helix	trans	-69.1	-38.9	176.6	-75	0	0	0	0	112.6	V878 W886	V878-C882 WeakPolarHBondContact O-CB 3.25Å; V878-C882 PolarHBondContact O-N 3.46Å; C882-W886 VanDerWaalsContact O-CB 3.25Å; C882-W886 WeakPolarHBondContact O-CB 3.13Å; C882-W886 PolarHBondContact O-N 2.52Å
883	L	51.1	Low	50	Low	107 Å²	107	89.1 Å²	89.1	56%	0.56	46%	0.462	S	S	*	.	H	α-helix	trans	-62.5	-44.8	170.7	-84.4	162	0	0	0	111.5	S879 W886 F887	S879-L883 VanDerWaalsContact O-CB 3.24Å; S879-L883 WeakPolarHBondContact O-CB 3.45Å; S879-L883 WeakPolarHBondContact O-CG 3.32Å; S879-L883 PolarHBondContact O-N 3.36Å; L883-W886 PolarHBondContact O-N 3.01Å; L883-F887 WeakPolarHBondContact O-CB 3.21Å; L883-F887 PolarHBondContact O-N 3.07Å
884	F	48.3	Very low	51.8	Low	135 Å²	135	92 Å²	92	59%	0.592	47%	0.467	S	S	*	.	H	α-helix	trans	-62.9	-44.3	179.4	-171	-94.5	0	0	0	112	F880 V881 F887 F888	F880-F884 VanDerWaalsContact O-CB 3.24Å; F880-F884 WeakPolarHBondContact O-CB 3.2Å; F880-F884 PolarHBondContact O-N 3.05Å; V881-F884 PolarHBondContact O-N 2.88Å; F884-F887 PolarHBondContact O-N 3.42Å; F884-F888 VanDerWaalsContact O-CB 3.3Å; F884-F888 WeakPolarHBondContact O-CB 3.28Å; F884-F888 PolarHBondContact O-N 2.83Å
885	L	50.7	Low	53.4	Low	57 Å²	57	89.5 Å²	89.5	30%	0.298	45%	0.454	S	S	.	.	H	α-helix	trans	-66.3	-43.7	175.7	-74.3	169	0	0	0	112.1	V881 F887 F888 F889	V881-L885 HydrophobicContact CG1-CD1 3.97Å; V881-L885 WeakPolarHBondContact O-CB 3.46Å; V881-L885 WeakPolarHBondContact O-CG 3.44Å; V881-L885 PolarHBondContact O-N 3.39Å; L885-F887 VanDerWaalsContact C-N 3.35Å; L885-F887 PolarHBondContact O-N 3.05Å; L885-F888 PolarHBondContact O-N 3.35Å; L885-F889 WeakPolarHBondContact O-CB 3.49Å; L885-F889 WeakPolarHBondContact O-CD2 3.25Å; L885-F889 PolarHBondContact O-N 2.92Å
886	W	56.8	Low	55.2	Low	117 Å²	117	82.2 Å²	82.2	44%	0.443	42%	0.42	S	S	.	.	H	α-helix	trans	-63	-40.9	176.4	-175.4	73	0	0	0	112	C882 L883 F889 L890	C882-W886 VanDerWaalsContact O-CB 3.25Å; C882-W886 WeakPolarHBondContact O-CB 3.13Å; C882-W886 PolarHBondContact O-N 2.52Å; L883-W886 PolarHBondContact O-N 3.01Å; W886-F889 PolarHBondContact O-N 3.31Å; W886-L890 HydrophobicContact CD2-CD1 3.85Å; W886-L890 HydrophobicContact CD2-CG 4.44Å; W886-L890 HydrophobicContact CE3-CD1 3.8Å; W886-L890 HydrophobicContact CH2-CD1 3.64Å; W886-L890 HydrophobicContact CZ2-CD1 3.66Å; W886-L890 HydrophobicContact CZ3-CD1 3.69Å; W886-L890 WeakPolarHBondContact O-CG 3.45Å; W886-L890 PolarHBondContact O-N 2.98Å
887	F	56.7	Low	57.1	Low	112 Å²	112	80.8 Å²	80.8	49%	0.491	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-46.2	174.4	-169.9	-91.9	0	0	0	111.6	L883 F884 L885 F889 L890 V891	L883-F887 WeakPolarHBondContact O-CB 3.21Å; L883-F887 PolarHBondContact O-N 3.07Å; F884-F887 PolarHBondContact O-N 3.42Å; L885-F887 VanDerWaalsContact C-N 3.35Å; L885-F887 PolarHBondContact O-N 3.05Å; F887-F889 VanDerWaalsContact C-N 3.34Å; F887-F889 PolarHBondContact O-N 2.67Å; F887-L890 PolarHBondContact O-N 2.76Å; F887-V891 HydrophobicContact CD1-CG2 3.96Å; F887-V891 HydrophobicContact CE1-CG2 3.77Å; F887-V891 HydrophobicContact CZ-CG2 4.36Å; F887-V891 WeakPolarHBondContact O-CB 3.47Å; F887-V891 WeakPolarHBondContact O-CG2 3.36Å; F887-V891 PolarHBondContact O-N 3.48Å
888	F	58.8	Low	59	Low	118 Å²	118	80.6 Å²	80.6	52%	0.518	41%	0.405	S	S	.	.	H	α-helix	trans	-58.6	-44.2	175	-177.3	-93.8	0	0	0	111.9	F884 L885 V891 L892	F884-F888 VanDerWaalsContact O-CB 3.3Å; F884-F888 WeakPolarHBondContact O-CB 3.28Å; F884-F888 PolarHBondContact O-N 2.83Å; L885-F888 PolarHBondContact O-N 3.35Å; F888-V891 PolarHBondContact O-N 2.8Å; F888-L892 WeakPolarHBondContact O-CB 3.5Å; F888-L892 PolarHBondContact O-N 3.23Å
889	F	62.3	Low	60.9	Low	56 Å²	56	82.5 Å²	82.5	25%	0.246	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-39.6	175.3	-96.8	-69	0	0	0	113	L860 L885 W886 F887 L892 I893	L860-F889 HydrophobicContact CD1-CB 3.85Å; L860-F889 HydrophobicContact CD1-CD1 3.66Å; L860-F889 HydrophobicContact CD1-CE1 4.5Å; L860-F889 HydrophobicContact CD1-CG 3.95Å; L860-F889 HydrophobicContact CD2-CB 4.36Å; L860-F889 HydrophobicContact CG-CB 4.22Å; L885-F889 WeakPolarHBondContact O-CB 3.49Å; L885-F889 WeakPolarHBondContact O-CD2 3.25Å; L885-F889 PolarHBondContact O-N 2.92Å; W886-F889 PolarHBondContact O-N 3.31Å; F887-F889 VanDerWaalsContact C-N 3.34Å; F887-F889 PolarHBondContact O-N 2.67Å; F889-L892 PolarHBondContact O-N 3.41Å; F889-I893 PolarHBondContact O-N 2.81Å
890	L	65.6	Low	62.8	Low	40 Å²	40	80.5 Å²	80.5	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-66.7	-39.8	173	-76.5	177.5	0	0	0	112.7	L860 W886 F887 L892 I893 R894	L860-L890 HydrophobicContact CD2-CD2 4.18Å; W886-L890 HydrophobicContact CD2-CD1 3.85Å; W886-L890 HydrophobicContact CD2-CG 4.44Å; W886-L890 HydrophobicContact CE3-CD1 3.8Å; W886-L890 HydrophobicContact CH2-CD1 3.64Å; W886-L890 HydrophobicContact CZ2-CD1 3.66Å; W886-L890 HydrophobicContact CZ3-CD1 3.69Å; W886-L890 WeakPolarHBondContact O-CG 3.45Å; W886-L890 PolarHBondContact O-N 2.98Å; F887-L890 PolarHBondContact O-N 2.76Å; L890-L892 VanDerWaalsContact C-N 3.33Å; L890-I893 PolarHBondContact O-N 3.33Å; L890-R894 WeakPolarHBondContact O-CB 3.12Å; L890-R894 VanDerWaalsContact O-CG 3.31Å; L890-R894 WeakPolarHBondContact O-CG 3.05Å; L890-R894 PolarHBondContact O-N 2.76Å
891	V	66.5	Low	64.8	Low	70 Å²	70	76.7 Å²	76.7	42%	0.424	38%	0.378	S	S	.	.	H	α-helix	trans	-62.3	-42.1	173.7	167.8	0	0	0	0	110.4	F887 F888 R894 S895	F887-V891 HydrophobicContact CD1-CG2 3.96Å; F887-V891 HydrophobicContact CE1-CG2 3.77Å; F887-V891 HydrophobicContact CZ-CG2 4.36Å; F887-V891 WeakPolarHBondContact O-CB 3.47Å; F887-V891 WeakPolarHBondContact O-CG2 3.36Å; F887-V891 PolarHBondContact O-N 3.48Å; F888-V891 PolarHBondContact O-N 2.8Å; V891-R894 PolarHBondContact O-N 3.19Å; V891-S895 WeakPolarHBondContact O-CB 3.43Å; V891-S895 PolarHBondContact O-N 3.11Å
892	L	68	Low	66.7	Low	66 Å²	66	79.2 Å²	79.2	35%	0.346	38%	0.38	S	S	.	.	H	α-helix	trans	-68.7	-39.3	178.1	-170.4	59.2	0	0	0	112.5	M856 F888 F889 L890 S895 L896	M856-L892 HydrophobicContact CE-CG 4.14Å; M856-L892 HydrophobicContact SD-CB 4.39Å; M856-L892 HydrophobicContact SD-CD2 3.53Å; M856-L892 VanDerWaalsContact SD-CD2 3.53Å; M856-L892 HydrophobicContact SD-CG 3.66Å; F888-L892 WeakPolarHBondContact O-CB 3.5Å; F888-L892 PolarHBondContact O-N 3.23Å; F889-L892 PolarHBondContact O-N 3.41Å; L890-L892 VanDerWaalsContact C-N 3.33Å; L892-S895 WeakPolarHBondContact O-CB 3.28Å; L892-S895 PolarHBondContact O-N 3.23Å; L892-L896 PolarHBondContact O-N 3.17Å
893	I	71.2	Confident	68.6	Low	13 Å²	13	78.3 Å²	78.3	7%	0.067	37%	0.372	C	S	.	.	H	α-helix	trans	-62.6	-47.9	171	-78.6	175	0	0	0	111	M856 K857 L860 F889 L890 S895 L896 Q897	M856-I893 HydrophobicContact CB-CD1 4.17Å; M856-I893 HydrophobicContact CB-CG1 4.02Å; M856-I893 HydrophobicContact CE-CG1 3.84Å; K857-I893 HydrophobicContact CG-CD1 4.36Å; L860-I893 HydrophobicContact CD1-CD1 3.55Å; L860-I893 HydrophobicContact CD2-CD1 4Å; L860-I893 HydrophobicContact CG-CD1 4.39Å; F889-I893 PolarHBondContact O-N 2.81Å; L890-I893 PolarHBondContact O-N 3.33Å; I893-S895 VanDerWaalsContact C-N 3.28Å; I893-S895 PolarHBondContact O-N 2.91Å; I893-L896 PolarHBondContact O-N 3.39Å; I893-Q897 HydrophobicContact CG2-CG 4.26Å; I893-Q897 WeakPolarHBondContact O-CB 3.42Å; I893-Q897 WeakPolarHBondContact O-CG 3.26Å; I893-Q897 PolarHBondContact O-N 2.9Å
894	R	70	Confident	70.2	Confident	159 Å²	159	75 Å²	75	60%	0.6	35%	0.353	S	S	*	.	H	α-helix	trans	-60.2	-38.4	176.9	-76.5	171.8	171.5	156.7	-2.4	111.8	L890 V891 Q897 S898	L890-R894 WeakPolarHBondContact O-CB 3.12Å; L890-R894 VanDerWaalsContact O-CG 3.31Å; L890-R894 WeakPolarHBondContact O-CG 3.05Å; L890-R894 PolarHBondContact O-N 2.76Å; V891-R894 PolarHBondContact O-N 3.19Å; R894-Q897 PolarHBondContact O-N 2.9Å; R894-S898 WeakPolarHBondContact O-CB 3.11Å; R894-S898 PolarHBondContact O-N 3.22Å
895	S	71.6	Confident	72.1	Confident	52 Å²	52	69.6 Å²	69.6	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-61.5	-48.6	174	-175.1	0	0	0	0	112	V891 L892 I893 S898 Q899	V891-S895 WeakPolarHBondContact O-CB 3.43Å; V891-S895 PolarHBondContact O-N 3.11Å; L892-S895 WeakPolarHBondContact O-CB 3.28Å; L892-S895 PolarHBondContact O-N 3.23Å; I893-S895 VanDerWaalsContact C-N 3.28Å; I893-S895 PolarHBondContact O-N 2.91Å; S895-S898 WeakPolarHBondContact O-CB 3.33Å; S895-S898 PolarHBondContact O-N 3.13Å; S895-Q899 WeakPolarHBondContact O-CG 3.21Å; S895-Q899 PolarHBondContact O-N 2.66Å
896	L	75.9	Confident	73.7	Confident	19 Å²	19	69.7 Å²	69.7	10%	0.099	33%	0.329	C	S	.	.	H	α-helix	trans	-68.4	-34.9	175.9	-68.6	-157.3	0	0	0	113.2	I849 K852 I853 M856 L892 I893 S898 Q899 L900	I849-L896 HydrophobicContact CG2-CB 4.18Å; I849-L896 WeakPolarHBondContact CG2-O 3.23Å; K852-L896 HydrophobicContact CB-CD1 3.55Å; K852-L896 HydrophobicContact CD-CD1 4.34Å; I853-L896 HydrophobicContact CD1-CB 3.98Å; I853-L896 HydrophobicContact CG1-CB 3.66Å; I853-L896 HydrophobicContact CG1-CD1 4.16Å; M856-L896 HydrophobicContact CE-CB 4.38Å; M856-L896 HydrophobicContact CE-CD1 3.41Å; M856-L896 VanDerWaalsContact CE-CD1 3.41Å; M856-L896 HydrophobicContact CE-CG 3.84Å; L892-L896 PolarHBondContact O-N 3.17Å; I893-L896 PolarHBondContact O-N 3.39Å; L896-S898 VanDerWaalsContact C-N 3.31Å; L896-S898 PolarHBondContact O-N 3.16Å; L896-Q899 PolarHBondContact O-N 3.33Å; L896-L900 WeakPolarHBondContact O-CB 3.29Å; L896-L900 PolarHBondContact O-N 2.81Å
897	Q	76.6	Confident	75.1	Confident	90 Å²	90	67 Å²	67	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-39	172.8	-74.8	174.2	-39.7	0	0	111.4	I853 I893 R894 L900 H901	I853-Q897 HydrophobicContact CD1-CG 4.18Å; I893-Q897 HydrophobicContact CG2-CG 4.26Å; I893-Q897 WeakPolarHBondContact O-CB 3.42Å; I893-Q897 WeakPolarHBondContact O-CG 3.26Å; I893-Q897 PolarHBondContact O-N 2.9Å; R894-Q897 PolarHBondContact O-N 2.9Å; Q897-L900 PolarHBondContact O-N 3.05Å; Q897-H901 WeakPolarHBondContact O-CB 3.31Å; Q897-H901 PolarHBondContact O-N 3.3Å
898	S	76.6	Confident	76.5	Confident	80 Å²	80	61.7 Å²	61.7	56%	0.559	30%	0.298	S	S	*	.	H	α-helix	trans	-64.4	-43.2	173	-170.3	0	0	0	0	112	R894 S895 L896 H901 Y902	R894-S898 WeakPolarHBondContact O-CB 3.11Å; R894-S898 PolarHBondContact O-N 3.22Å; S895-S898 WeakPolarHBondContact O-CB 3.33Å; S895-S898 PolarHBondContact O-N 3.13Å; L896-S898 VanDerWaalsContact C-N 3.31Å; L896-S898 PolarHBondContact O-N 3.16Å; S898-H901 PolarHBondContact O-N 2.87Å; S898-Y902 WeakPolarHBondContact O-CB 3.24Å; S898-Y902 PolarHBondContact O-N 2.83Å
899	Q	80.5	Confident	77.8	Confident	93 Å²	93	59.1 Å²	59.1	44%	0.435	29%	0.287	S	S	.	.	H	α-helix	trans	-64.5	-39.6	175.6	-68.6	177.3	21.5	0	0	112.2	I849 S895 L896 L903	I849-Q899 HydrophobicContact CD1-CB 4.22Å; S895-Q899 WeakPolarHBondContact O-CG 3.21Å; S895-Q899 PolarHBondContact O-N 2.66Å; L896-Q899 PolarHBondContact O-N 3.33Å; Q899-L903 WeakPolarHBondContact O-CG 3.1Å; Q899-L903 PolarHBondContact O-N 3.42Å; Q899-L903 VanDerWaalsContact O-N 3.16Å
900	L	84.5	Confident	78.9	Confident	26 Å²	26	59.2 Å²	59.2	14%	0.136	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-50.2	175.3	179	58.9	0	0	0	111.1	I846 I849 R850 I853 L896 Q897 Y902 L903 E904	I846-L900 HydrophobicContact CB-CD1 4.36Å; I846-L900 HydrophobicContact CG1-CD1 4.31Å; I846-L900 HydrophobicContact CG2-CD1 3.9Å; I849-L900 HydrophobicContact CG2-CB 3.86Å; R850-L900 HydrophobicContact CG-CD1 3.9Å; R850-L900 HydrophobicContact CG-CD2 3.86Å; I853-L900 HydrophobicContact CD1-CB 4.31Å; I853-L900 HydrophobicContact CD1-CD2 3.89Å; L896-L900 WeakPolarHBondContact O-CB 3.29Å; L896-L900 PolarHBondContact O-N 2.81Å; Q897-L900 PolarHBondContact O-N 3.05Å; L900-Y902 VanDerWaalsContact C-N 3.31Å; L900-Y902 PolarHBondContact O-N 3.5Å; L900-L903 PolarHBondContact O-N 3.37Å; L900-E904 HydrophobicContact CD1-CG 4.24Å; L900-E904 WeakPolarHBondContact O-CG 3.22Å; L900-E904 PolarHBondContact O-N 3.15Å
901	H	82	Confident	79.8	Confident	74 Å²	74	59.3 Å²	59.3	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-62	-39.1	180	-176.7	31.9	0	0	0	112	Q897 S898 E904 L905	Q897-H901 WeakPolarHBondContact O-CB 3.31Å; Q897-H901 PolarHBondContact O-N 3.3Å; S898-H901 PolarHBondContact O-N 2.87Å; H901-E904 PolarHBondContact O-N 3.12Å; H901-L905 WeakPolarHBondContact O-CB 3.18Å; H901-L905 PolarHBondContact O-N 2.94Å
902	Y	83	Confident	80.8	Confident	140 Å²	140	56 Å²	56	55%	0.549	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-44.7	175	-179.6	-99.1	0	0	0	112.5	S898 L900 L905 Q906	S898-Y902 WeakPolarHBondContact O-CB 3.24Å; S898-Y902 PolarHBondContact O-N 2.83Å; L900-Y902 VanDerWaalsContact C-N 3.31Å; L900-Y902 PolarHBondContact O-N 3.5Å; Y902-L905 PolarHBondContact O-N 3.4Å; Y902-Q906 HydrophobicContact CE1-CG 4.2Å; Y902-Q906 WeakPolarHBondContact O-CG 3.41Å; Y902-Q906 PolarHBondContact O-N 2.82Å; Y902-Q906 PolarHBondContact OH-NE2 3.03Å; Y902-Q906 VanDerWaalsContact OH-NE2 3.14Å
903	L	84.6	Confident	81.6	Confident	20 Å²	20	55.3 Å²	55.3	11%	0.105	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-36.9	176.8	-70.3	169	0	0	0	112.9	K845 I846 I849 Q899 L900 L905 Q906 K907	K845-L903 HydrophobicContact CB-CD1 3.89Å; I846-L903 HydrophobicContact CD1-CB 4.23Å; I846-L903 HydrophobicContact CG1-CB 3.79Å; I846-L903 HydrophobicContact CG1-CD1 4.44Å; I849-L903 HydrophobicContact CD1-CD1 3.49Å; I849-L903 VanDerWaalsContact CD1-CD1 3.49Å; Q899-L903 WeakPolarHBondContact O-CG 3.1Å; Q899-L903 PolarHBondContact O-N 3.42Å; Q899-L903 VanDerWaalsContact O-N 3.16Å; L900-L903 PolarHBondContact O-N 3.37Å; L903-L905 VanDerWaalsContact C-N 3.33Å; L903-Q906 PolarHBondContact O-N 3.34Å; L903-K907 WeakPolarHBondContact O-CB 3.5Å; L903-K907 PolarHBondContact O-N 3.22Å
904	E	84.4	Confident	82.2	Confident	37 Å²	37	57.4 Å²	57.4	17%	0.173	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-36.6	173.5	-72.7	-173.6	-176.6	0	0	111.9	I846 R850 L900 H901 K907 A908	I846-E904 HydrophobicContact CD1-CG 4.07Å; R850-E904 IonicContact CZ-OE1 2.79Å; R850-E904 IonicContact NE-OE1 3.63Å; R850-E904 IonicContact NH2-OE1 3.26Å; R850-E904 PolarHBondContact NH2-OE1 2.93Å; L900-E904 HydrophobicContact CD1-CG 4.24Å; L900-E904 WeakPolarHBondContact O-CG 3.22Å; L900-E904 PolarHBondContact O-N 3.15Å; H901-E904 PolarHBondContact O-N 3.12Å; E904-K907 PolarHBondContact O-N 3.4Å; E904-A908 WeakPolarHBondContact O-CB 3.34Å; E904-A908 PolarHBondContact O-N 2.82Å
905	L	86.9	Confident	83	Confident	22 Å²	22	51.8 Å²	51.8	12%	0.115	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-45.8	174.3	-177.9	60.9	0	0	0	111.7	H901 Y902 L903 K907 A908 E909 H953 V954	H901-L905 WeakPolarHBondContact O-CB 3.18Å; H901-L905 PolarHBondContact O-N 2.94Å; Y902-L905 PolarHBondContact O-N 3.4Å; L903-L905 VanDerWaalsContact C-N 3.33Å; L905-K907 VanDerWaalsContact C-N 3.27Å; L905-K907 PolarHBondContact O-N 2.81Å; L905-A908 WeakPolarHBondContact O-CB 3.49Å; L905-A908 PolarHBondContact O-N 3.32Å; L905-E909 HydrophobicContact CD1-CG 4.29Å; L905-E909 HydrophobicContact CG-CG 4.48Å; L905-E909 WeakPolarHBondContact O-CG 3.36Å; L905-E909 PolarHBondContact O-N 2.94Å; L905-H953 HydrophobicContact CD1-CB 4.06Å; L905-V954 HydrophobicContact CD1-CG2 4.03Å
906	Q	85.5	Confident	83.7	Confident	59 Å²	59	50 Å²	50	28%	0.276	24%	0.243	S	C	.	.	H	α-helix	trans	-57.3	-40.9	173.8	-74.9	-168.9	-34.1	0	0	112.1	I842 Y902 L903 Y910	I842-Q906 HydrophobicContact CD1-CB 4.47Å; Y902-Q906 HydrophobicContact CE1-CG 4.2Å; Y902-Q906 WeakPolarHBondContact O-CG 3.41Å; Y902-Q906 PolarHBondContact O-N 2.82Å; Y902-Q906 PolarHBondContact OH-NE2 3.03Å; Y902-Q906 VanDerWaalsContact OH-NE2 3.14Å; L903-Q906 PolarHBondContact O-N 3.34Å; Q906-Y910 WeakPolarHBondContact O-CB 3.31Å; Q906-Y910 PolarHBondContact O-N 3.39Å; Q906-Y910 VanDerWaalsContact O-N 3.14Å
907	K	86.1	Confident	84	Confident	61 Å²	61	52 Å²	52	27%	0.265	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-41.7	173.5	179.1	174.3	173.3	177.2	0	111.8	L839 I842 N843 I846 L903 E904 L905 L911	L839-K907 HydrophobicContact CD1-CD 4.24Å; L839-K907 HydrophobicContact CD1-CG 3.98Å; I842-K907 HydrophobicContact CG2-CB 4.15Å; N843-K907 WeakPolarHBondContact OD1-CE 3.44Å; N843-K907 PolarHBondContact OD1-NZ 3.49Å; I846-K907 HydrophobicContact CD1-CD 4.15Å; L903-K907 WeakPolarHBondContact O-CB 3.5Å; L903-K907 PolarHBondContact O-N 3.22Å; E904-K907 PolarHBondContact O-N 3.4Å; L905-K907 VanDerWaalsContact C-N 3.27Å; L905-K907 PolarHBondContact O-N 2.81Å; K907-L911 HydrophobicContact CG-CD1 3.94Å; K907-L911 WeakPolarHBondContact O-CB 3.47Å; K907-L911 VanDerWaalsContact O-CG 3.25Å; K907-L911 WeakPolarHBondContact O-CG 3.26Å; K907-L911 PolarHBondContact O-N 2.7Å
908	A	86.2	Confident	84.5	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.008	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-45.5	179.6	0	0	0	0	0	112.7	E904 L905 L911 V912 L946 C950 V954	E904-A908 WeakPolarHBondContact O-CB 3.34Å; E904-A908 PolarHBondContact O-N 2.82Å; L905-A908 WeakPolarHBondContact O-CB 3.49Å; L905-A908 PolarHBondContact O-N 3.32Å; A908-L911 PolarHBondContact O-N 2.7Å; A908-V912 WeakPolarHBondContact O-CB 3.39Å; A908-V912 WeakPolarHBondContact O-CG2 3.38Å; A908-V912 PolarHBondContact O-N 3.47Å; A908-L946 HydrophobicContact CB-CD1 4.19Å; A908-L946 HydrophobicContact CB-CD2 3.79Å; A908-C950 HydrophobicContact CB-CB 3.7Å; A908-V954 HydrophobicContact CB-CG2 4.3Å
909	E	86.3	Confident	85	Confident	63 Å²	63	52.1 Å²	52.1	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-47.5	175.8	-72	175.3	179	0	0	111.2	L905 V912 D913 V954 Q957	L905-E909 HydrophobicContact CD1-CG 4.29Å; L905-E909 HydrophobicContact CG-CG 4.48Å; L905-E909 WeakPolarHBondContact O-CG 3.36Å; L905-E909 PolarHBondContact O-N 2.94Å; E909-V912 PolarHBondContact O-N 3.22Å; E909-D913 PolarHBondContact O-N 2.94Å; E909-V954 HydrophobicContact CG-CG2 3.99Å; E909-Q957 PolarHBondContact OE1-NE2 3.04Å
910	Y	86	Confident	85.1	Confident	59 Å²	59	50.6 Å²	50.6	23%	0.231	25%	0.245	C	C	.	.	H	α-helix	trans	-61.6	-44.3	177.1	177.3	-103.4	0	0	0	113.2	N835 W838 Q906 T914	N835-Y910 WeakPolarHBondContact CB-OH 3.4Å; N835-Y910 PolarHBondContact O-OH 3.31Å; W838-Y910 AromaticContact CE3-CD1 3.99Å; W838-Y910 HydrophobicContact CE3-CD1 3.99Å; W838-Y910 HydrophobicContact CE3-CD2 4.13Å; W838-Y910 HydrophobicContact CE3-CE1 4.04Å; W838-Y910 HydrophobicContact CE3-CE2 4.2Å; W838-Y910 HydrophobicContact CE3-CG 4.01Å; W838-Y910 HydrophobicContact CH2-CD2 4.24Å; W838-Y910 AromaticContact CH2-CG 3.99Å; W838-Y910 HydrophobicContact CH2-CG 3.99Å; W838-Y910 AromaticContact CZ3-CD1 3.56Å; W838-Y910 HydrophobicContact CZ3-CD1 3.56Å; W838-Y910 AromaticContact CZ3-CD2 3.72Å; W838-Y910 HydrophobicContact CZ3-CD2 3.72Å; W838-Y910 HydrophobicContact CZ3-CE1 4.1Å; W838-Y910 HydrophobicContact CZ3-CE2 4.26Å; W838-Y910 AromaticContact CZ3-CG 3.32Å; W838-Y910 HydrophobicContact CZ3-CG 3.32Å; Q906-Y910 WeakPolarHBondContact O-CB 3.31Å; Q906-Y910 PolarHBondContact O-N 3.39Å; Q906-Y910 VanDerWaalsContact O-N 3.14Å; Y910-T914 VanDerWaalsContact O-CB 3.26Å; Y910-T914 WeakPolarHBondContact O-CB 3.46Å; Y910-T914 PolarHBondContact O-N 3.02Å; Y910-T914 PolarHBondContact O-OG1 3.44Å
911	L	84.2	Confident	85.1	Confident	41 Å²	41	53.3 Å²	53.3	22%	0.215	26%	0.259	C	S	.	.	H	α-helix	trans	-63.9	-40.6	177.4	-74.4	170.6	0	0	0	111.8	K907 A908 R915 L946	K907-L911 HydrophobicContact CG-CD1 3.94Å; K907-L911 WeakPolarHBondContact O-CB 3.47Å; K907-L911 VanDerWaalsContact O-CG 3.25Å; K907-L911 WeakPolarHBondContact O-CG 3.26Å; K907-L911 PolarHBondContact O-N 2.7Å; A908-L911 PolarHBondContact O-N 2.7Å; L911-R915 WeakPolarHBondContact O-CB 3.34Å; L911-R915 WeakPolarHBondContact O-CD 3.15Å; L911-R915 WeakPolarHBondContact O-CG 3.33Å; L911-R915 PolarHBondContact O-N 2.8Å; L911-L946 HydrophobicContact CD1-CD2 4.19Å
912	V	86	Confident	85.3	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-67.7	-48	177.6	166.8	0	0	0	0	111.6	A908 E909 T914 R915 S916 L941 L943 L946 V954	A908-V912 WeakPolarHBondContact O-CB 3.39Å; A908-V912 WeakPolarHBondContact O-CG2 3.38Å; A908-V912 PolarHBondContact O-N 3.47Å; E909-V912 PolarHBondContact O-N 3.22Å; V912-T914 VanDerWaalsContact C-N 3.33Å; V912-T914 PolarHBondContact O-N 3.43Å; V912-R915 PolarHBondContact O-N 3.42Å; V912-S916 PolarHBondContact O-N 3.01Å; V912-S916 PolarHBondContact O-OG 2.82Å; V912-L941 HydrophobicContact CG1-CD1 3.53Å; V912-L941 HydrophobicContact CG2-CD1 4.43Å; V912-L943 HydrophobicContact CG2-CD2 4.4Å; V912-L946 HydrophobicContact CG2-CD1 3.88Å; V912-V954 HydrophobicContact CB-CG1 4.18Å; V912-V954 HydrophobicContact CG1-CG1 3.95Å; V912-V954 HydrophobicContact CG2-CG1 4.07Å
913	D	85	Confident	85.3	Confident	52 Å²	52	49 Å²	49	28%	0.278	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-41.5	178.3	-92.4	17.2	0	0	0	111.1	R31 E909 R915 S916 S917 R958	R31-D913 IonicContact CZ-OD2 3.61Å; R31-D913 IonicContact NH2-OD1 3.44Å; R31-D913 PolarHBondContact NH2-OD1 2.8Å; R31-D913 IonicContact NH2-OD2 3.79Å; R31-D913 PolarHBondContact NH2-OD2 3.5Å; E909-D913 PolarHBondContact O-N 2.94Å; D913-R915 PolarHBondContact O-N 3.42Å; D913-S916 WeakPolarHBondContact CA-OG 3.4Å; D913-S916 PolarHBondContact O-N 2.98Å; D913-S916 PolarHBondContact O-OG 3.37Å; D913-S917 PolarHBondContact O-N 2.82Å; D913-R958 IonicContact OD1-CZ 2.66Å; D913-R958 IonicContact OD1-NH1 3.63Å; D913-R958 IonicContact OD1-NH2 3.89Å; D913-R958 PolarHBondContact OD1-NH2 3.24Å
914	T	85.4	Confident	85.2	Confident	56 Å²	56	51.1 Å²	51.1	34%	0.344	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-45.4	174.9	-57.1	0	0	0	0	111.7	Y910 V912 S916 S917 L918	Y910-T914 VanDerWaalsContact O-CB 3.26Å; Y910-T914 WeakPolarHBondContact O-CB 3.46Å; Y910-T914 PolarHBondContact O-N 3.02Å; Y910-T914 PolarHBondContact O-OG1 3.44Å; V912-T914 VanDerWaalsContact C-N 3.33Å; V912-T914 PolarHBondContact O-N 3.43Å; T914-S916 PolarHBondContact O-N 2.94Å; T914-S917 PolarHBondContact O-N 3.15Å; T914-L918 HydrophobicContact CG2-CD1 4.3Å; T914-L918 WeakPolarHBondContact O-CG 3.26Å; T914-L918 PolarHBondContact O-N 3.29Å
915	R	86.8	Confident	85.2	Confident	42 Å²	42	55 Å²	55	16%	0.158	28%	0.282	C	S	.	.	H	α-helix	trans	-62.6	-40	175.8	-73	164.1	-178.8	170.4	-3.1	112.3	L911 V912 D913 L918 Y919 D942 H944	L911-R915 WeakPolarHBondContact O-CB 3.34Å; L911-R915 WeakPolarHBondContact O-CD 3.15Å; L911-R915 WeakPolarHBondContact O-CG 3.33Å; L911-R915 PolarHBondContact O-N 2.8Å; V912-R915 PolarHBondContact O-N 3.42Å; D913-R915 PolarHBondContact O-N 3.42Å; R915-L918 PolarHBondContact O-N 3.01Å; R915-Y919 PolarHBondContact O-N 2.92Å; R915-Y919 VanDerWaalsContact O-N 3.15Å; R915-D942 HydrophobicContact CB-CB 4.43Å; R915-D942 IonicContact NE-OD2 3.68Å; R915-D942 PolarHBondContact NH1-O 3.22Å; R915-H944 VanDerWaalsContact CZ-O 3.28Å; R915-H944 PolarHBondContact NE-CE1 3.4Å; R915-H944 PolarHBondContact NH1-O 3.26Å; R915-H944 PolarHBondContact NH2-CD2 3.19Å; R915-H944 PolarHBondContact NH2-CE1 3.49Å; R915-H944 VanDerWaalsContact NH2-CE1 3.27Å; R915-H944 PolarHBondContact NH2-NE2 3.02Å; R915-H944 PolarHBondContact NH2-O 2.95Å
916	S	84.6	Confident	85	Confident	14 Å²	14	59.6 Å²	59.6	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-65.3	-38.7	175	63.6	0	0	0	0	112.4	V912 D913 T914 Y919 E920 A937	V912-S916 PolarHBondContact O-N 3.01Å; V912-S916 PolarHBondContact O-OG 2.82Å; D913-S916 WeakPolarHBondContact CA-OG 3.4Å; D913-S916 PolarHBondContact O-N 2.98Å; D913-S916 PolarHBondContact O-OG 3.37Å; T914-S916 PolarHBondContact O-N 2.94Å; S916-Y919 PolarHBondContact O-N 2.94Å; S916-E920 PolarHBondContact O-N 3.4Å; S916-A937 WeakPolarHBondContact CB-O 3.47Å; S916-A937 WeakPolarHBondContact O-CB 3.23Å
917	S	83.6	Confident	84.6	Confident	62 Å²	62	60 Å²	60	43%	0.434	33%	0.326	S	S	.	.	H	α-helix	trans	-63.7	-43.3	175.1	-167.2	0	0	0	0	112.3	D913 T914 Y919 E920 D921	D913-S917 PolarHBondContact O-N 2.82Å; T914-S917 PolarHBondContact O-N 3.15Å; S917-Y919 VanDerWaalsContact C-N 3.27Å; S917-Y919 PolarHBondContact O-N 2.78Å; S917-E920 WeakPolarHBondContact O-CB 3.22Å; S917-E920 PolarHBondContact O-N 3.46Å; S917-E920 VanDerWaalsContact O-N 3.1Å; S917-D921 PolarHBondContact O-N 3.02Å
918	L	86.7	Confident	84.1	Confident	113 Å²	113	60.1 Å²	60.1	59%	0.592	33%	0.328	S	S	*	.	H	α-helix	trans	-63.2	-33.9	177.5	-70.7	169.6	0	0	0	112.5	T914 R915 E922	T914-L918 HydrophobicContact CG2-CD1 4.3Å; T914-L918 WeakPolarHBondContact O-CG 3.26Å; T914-L918 PolarHBondContact O-N 3.29Å; R915-L918 PolarHBondContact O-N 3.01Å; L918-E922 PolarHBondContact O-N 3.24Å
919	Y	86	Confident	83.8	Confident	59 Å²	59	67 Å²	67	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-75.9	-30.2	173.2	-177.5	-115.9	0	0	0	112.3	R915 S916 S917 E922 L923 L936 A937 Y940	R915-Y919 PolarHBondContact O-N 2.92Å; R915-Y919 VanDerWaalsContact O-N 3.15Å; S916-Y919 PolarHBondContact O-N 2.94Å; S917-Y919 VanDerWaalsContact C-N 3.27Å; S917-Y919 PolarHBondContact O-N 2.78Å; Y919-E922 PolarHBondContact O-N 3.11Å; Y919-L923 HydrophobicContact CD1-CD1 4.14Å; Y919-L923 HydrophobicContact CE1-CD1 3.69Å; Y919-L923 HydrophobicContact CE1-CG 4.31Å; Y919-L923 HydrophobicContact CE2-CD1 4.49Å; Y919-L923 HydrophobicContact CE2-CD2 4.24Å; Y919-L923 HydrophobicContact CE2-CG 4.25Å; Y919-L923 WeakPolarHBondContact O-CG 3.36Å; Y919-L923 PolarHBondContact O-N 2.59Å; Y919-L936 HydrophobicContact CE1-CB 4.42Å; Y919-A937 HydrophobicContact CD1-CB 4.47Å; Y919-Y940 VanDerWaalsContact CD1-CB 3.49Å; Y919-Y940 AromaticContact CD1-CD1 3.97Å; Y919-Y940 HydrophobicContact CD1-CD1 3.97Å; Y919-Y940 AromaticContact CD1-CD2 3.47Å; Y919-Y940 HydrophobicContact CD1-CD2 3.47Å; Y919-Y940 VanDerWaalsContact CD1-CD2 3.47Å; Y919-Y940 HydrophobicContact CD1-CE2 4.09Å; Y919-Y940 AromaticContact CD1-CG 3.39Å; Y919-Y940 HydrophobicContact CD1-CG 3.39Å; Y919-Y940 HydrophobicContact CD2-CD2 4.21Å; Y919-Y940 HydrophobicContact CD2-CE2 4.01Å; Y919-Y940 AromaticContact CE1-CD2 3.45Å; Y919-Y940 HydrophobicContact CE1-CD2 3.45Å; Y919-Y940 VanDerWaalsContact CE1-CD2 3.45Å; Y919-Y940 HydrophobicContact CE1-CE2 4.2Å; Y919-Y940 AromaticContact CE1-CG 3.76Å; Y919-Y940 HydrophobicContact CE1-CG 3.76Å; Y919-Y940 HydrophobicContact CE2-CD2 4.21Å; Y919-Y940 HydrophobicContact CE2-CE2 4.14Å; Y919-Y940 HydrophobicContact CG-CD1 4.13Å; Y919-Y940 AromaticContact CG-CD2 3.86Å; Y919-Y940 HydrophobicContact CG-CD2 3.86Å; Y919-Y940 HydrophobicContact CG-CE1 4.28Å; Y919-Y940 AromaticContact CG-CE2 3.99Å; Y919-Y940 HydrophobicContact CG-CE2 3.99Å; Y919-Y940 AromaticContact CG-CG 3.92Å; Y919-Y940 HydrophobicContact CG-CG 3.92Å; Y919-Y940 AromaticContact CZ-CD2 3.85Å
920	E	83.4	Confident	83.2	Confident	61 Å²	61	67.8 Å²	67.8	29%	0.285	37%	0.368	S	S	.	.	H	α-helix	trans	-62.4	-46.4	168.6	-162.8	172.1	155.3	0	0	111.1	S916 S917 E922 L923 L924 A934 A937	S916-E920 PolarHBondContact O-N 3.4Å; S917-E920 WeakPolarHBondContact O-CB 3.22Å; S917-E920 PolarHBondContact O-N 3.46Å; S917-E920 VanDerWaalsContact O-N 3.1Å; E920-E922 VanDerWaalsContact C-N 3.33Å; E920-E922 PolarHBondContact O-N 2.9Å; E920-L923 PolarHBondContact O-N 3.03Å; E920-L924 HydrophobicContact CG-CD1 4.17Å; E920-L924 WeakPolarHBondContact O-CB 3.48Å; E920-L924 VanDerWaalsContact O-CG 3.25Å; E920-L924 WeakPolarHBondContact O-CG 3.19Å; E920-L924 PolarHBondContact O-N 3.22Å; E920-A934 WeakPolarHBondContact OE1-CB 3.44Å; E920-A937 HydrophobicContact CB-CB 3.61Å; E920-A937 HydrophobicContact CG-CB 4.08Å
921	D	84.4	Confident	82.7	Confident	82 Å²	82	67.1 Å²	67.1	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-60.6	-38.8	174.7	-70	-41.9	0	0	0	112.3	S917 T925	S917-D921 PolarHBondContact O-N 3.02Å; D921-T925 WeakPolarHBondContact O-CB 3.49Å; D921-T925 WeakPolarHBondContact O-CG2 3.47Å; D921-T925 PolarHBondContact O-N 3.31Å; D921-T925 PolarHBondContact O-OG1 3.43Å
922	E	86.5	Confident	82.1	Confident	108 Å²	108	70.1 Å²	70.1	51%	0.505	38%	0.381	S	S	.	.	H	α-helix	trans	-62	-45.9	172.6	-171.9	176.3	-170.7	0	0	111.7	L918 Y919 E920 T925 N926	L918-E922 PolarHBondContact O-N 3.24Å; Y919-E922 PolarHBondContact O-N 3.11Å; E920-E922 VanDerWaalsContact C-N 3.33Å; E920-E922 PolarHBondContact O-N 2.9Å; E922-T925 PolarHBondContact O-N 3.05Å; E922-T925 PolarHBondContact O-OG1 2.91Å; E922-N926 PolarHBondContact O-N 2.92Å; E922-N926 VanDerWaalsContact O-N 3.08Å; E922-N926 PolarHBondContact O-ND2 3.16Å
923	L	83.6	Confident	81.7	Confident	15 Å²	15	70.1 Å²	70.1	8%	0.079	38%	0.381	C	S	.	.	H	α-helix	trans	-68.2	-37.4	178.3	-66.5	176	0	0	0	112.3	Y919 E920 N926 G927 E928 L936	Y919-L923 HydrophobicContact CD1-CD1 4.14Å; Y919-L923 HydrophobicContact CE1-CD1 3.69Å; Y919-L923 HydrophobicContact CE1-CG 4.31Å; Y919-L923 HydrophobicContact CE2-CD1 4.49Å; Y919-L923 HydrophobicContact CE2-CD2 4.24Å; Y919-L923 HydrophobicContact CE2-CG 4.25Å; Y919-L923 WeakPolarHBondContact O-CG 3.36Å; Y919-L923 PolarHBondContact O-N 2.59Å; E920-L923 PolarHBondContact O-N 3.03Å; L923-N926 PolarHBondContact O-N 3.12Å; L923-G927 PolarHBondContact O-N 3.47Å; L923-E928 HydrophobicContact CB-CB 4.48Å; L923-E928 HydrophobicContact CB-CG 4.45Å; L923-E928 WeakPolarHBondContact O-CB 3.41Å; L923-E928 PolarHBondContact O-N 3.42Å; L923-E928 VanDerWaalsContact O-N 3.12Å; L923-L936 HydrophobicContact CD1-CB 3.56Å; L923-L936 HydrophobicContact CD1-CD1 3.9Å; L923-L936 HydrophobicContact CD1-CG 4.38Å
924	L	81.2	Confident	81.2	Confident	65 Å²	65	69 Å²	69	34%	0.34	38%	0.379	S	S	.	.	H	α-helix	trans	-64.4	-43.2	174.6	-72.9	170.2	0	0	0	112	E920 N926 G927 P930	E920-L924 HydrophobicContact CG-CD1 4.17Å; E920-L924 WeakPolarHBondContact O-CB 3.48Å; E920-L924 VanDerWaalsContact O-CG 3.25Å; E920-L924 WeakPolarHBondContact O-CG 3.19Å; E920-L924 PolarHBondContact O-N 3.22Å; L924-N926 VanDerWaalsContact C-N 3.3Å; L924-N926 PolarHBondContact O-N 2.89Å; L924-G927 PolarHBondContact O-N 3.04Å; L924-P930 HydrophobicContact CD2-CB 3.88Å; L924-P930 HydrophobicContact CD2-CG 3.77Å
925	T	84.6	Confident	80.7	Confident	120 Å²	120	67 Å²	67	74%	0.736	37%	0.367	S	S	*	.	H	α-helix	trans	-68.8	-28	176.6	50.5	0	0	0	0	112.8	D921 E922 G927	D921-T925 WeakPolarHBondContact O-CB 3.49Å; D921-T925 WeakPolarHBondContact O-CG2 3.47Å; D921-T925 PolarHBondContact O-N 3.31Å; D921-T925 PolarHBondContact O-OG1 3.43Å; E922-T925 PolarHBondContact O-N 3.05Å; E922-T925 PolarHBondContact O-OG1 2.91Å; T925-G927 PolarHBondContact O-N 3.13Å
926	N	82.5	Confident	80.4	Confident	118 Å²	118	67.4 Å²	67.4	63%	0.631	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	0.8	170.4	-75.1	-63.7	0	0	0	114.1	E922 L923 L924	E922-N926 PolarHBondContact O-N 2.92Å; E922-N926 VanDerWaalsContact O-N 3.08Å; E922-N926 PolarHBondContact O-ND2 3.16Å; L923-N926 PolarHBondContact O-N 3.12Å; L924-N926 VanDerWaalsContact C-N 3.3Å; L924-N926 PolarHBondContact O-N 2.89Å
927	G	78.5	Confident	80.3	Confident	66 Å²	66	66.8 Å²	66.8	68%	0.68	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	18.1	172.4	0	0	0	0	0	115.1	L923 L924 T925	L923-G927 PolarHBondContact O-N 3.47Å; L924-G927 PolarHBondContact O-N 3.04Å; T925-G927 PolarHBondContact O-N 3.13Å
928	E	75.7	Confident	80.3	Confident	65 Å²	65	66 Å²	66	30%	0.304	36%	0.357	S	S	.	.			trans	-67.9	160.6	172.5	-70.4	-159	164.5	0	0	112.9	L923 H932 S933	L923-E928 HydrophobicContact CB-CB 4.48Å; L923-E928 HydrophobicContact CB-CG 4.45Å; L923-E928 WeakPolarHBondContact O-CB 3.41Å; L923-E928 PolarHBondContact O-N 3.42Å; L923-E928 VanDerWaalsContact O-N 3.12Å; E928-H932 IonicContact OE1-CD2 3.77Å; E928-H932 IonicContact OE2-CD2 4Å; E928-H932 PolarHBondContact OE2-CD2 3.16Å; E928-H932 IonicContact OE2-CG 3.22Å; E928-S933 WeakPolarHBondContact CB-OG 3.43Å
929	K	78.8	Confident	80.1	Confident	146 Å²	146	60.8 Å²	60.8	64%	0.635	33%	0.33	S	S	*	.			trans	-70	131.6	172.4	-66.5	-178.8	177.7	-177.7	0	109	I931 H932 S933	K929-I931 VanDerWaalsContact C-N 3.26Å; K929-I931 PolarHBondContact O-N 3.23Å; K929-H932 HydrophobicContact CB-CB 4.4Å; K929-H932 WeakPolarHBondContact O-CA 3.4Å; K929-H932 WeakPolarHBondContact O-CB 3.48Å; K929-H932 PolarHBondContact O-N 2.74Å; K929-S933 PolarHBondContact O-N 2.95Å; K929-S933 VanDerWaalsContact O-N 3.07Å; K929-S933 PolarHBondContact O-OG 2.84Å
930	P	74.3	Confident	80.2	Confident	79 Å²	79	60.1 Å²	60.1	51%	0.513	33%	0.327	S	S	.	.	H	α-helix	trans	-53	-35	-174.5	-31	34.7	0	0	0	116.1	L924 S933 A934	L924-P930 HydrophobicContact CD2-CB 3.88Å; L924-P930 HydrophobicContact CD2-CG 3.77Å; P930-S933 PolarHBondContact O-N 3.44Å; P930-A934 VanDerWaalsContact O-CB 3.31Å; P930-A934 WeakPolarHBondContact O-CB 3.35Å; P930-A934 PolarHBondContact O-N 2.7Å
931	I	73.9	Confident	80.5	Confident	45 Å²	45	57.2 Å²	57.2	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-72.7	-27.6	175.4	-67.2	-139.7	0	0	0	112.8	N216 N218 K929 C935	N216-I931 HydrophobicContact CB-CD1 3.8Å; N216-I931 HydrophobicContact CB-CG2 4.25Å; N218-I931 HydrophobicContact CB-CB 4.44Å; N218-I931 HydrophobicContact CB-CD1 3.61Å; N218-I931 HydrophobicContact CB-CG1 3.76Å; K929-I931 VanDerWaalsContact C-N 3.26Å; K929-I931 PolarHBondContact O-N 3.23Å; I931-C935 VanDerWaalsContact O-CB 3.25Å; I931-C935 WeakPolarHBondContact O-CB 3.25Å; I931-C935 PolarHBondContact O-N 2.97Å; I931-C935 VanDerWaalsContact O-N 3.11Å; I931-C935 PolarHBondContact O-SG 3.01Å
932	H	73.4	Confident	80.7	Confident	104 Å²	104	53.9 Å²	53.9	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-70	-48.3	170.5	-159.8	45	0	0	0	110.2	E928 K929 A934 C935 L936	E928-H932 IonicContact OE1-CD2 3.77Å; E928-H932 IonicContact OE2-CD2 4Å; E928-H932 PolarHBondContact OE2-CD2 3.16Å; E928-H932 IonicContact OE2-CG 3.22Å; K929-H932 HydrophobicContact CB-CB 4.4Å; K929-H932 WeakPolarHBondContact O-CA 3.4Å; K929-H932 WeakPolarHBondContact O-CB 3.48Å; K929-H932 PolarHBondContact O-N 2.74Å; H932-A934 PolarHBondContact O-N 2.79Å; H932-C935 PolarHBondContact O-N 3.41Å; H932-C935 VanDerWaalsContact O-N 3.11Å; H932-L936 WeakPolarHBondContact O-CG 3.19Å; H932-L936 PolarHBondContact O-N 2.83Å
933	S	76.4	Confident	80.8	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-54.1	-54.1	175.9	-44.8	0	0	0	0	111.5	E928 K929 P930 C935 L936 A937	E928-S933 WeakPolarHBondContact CB-OG 3.43Å; K929-S933 PolarHBondContact O-N 2.95Å; K929-S933 VanDerWaalsContact O-N 3.07Å; K929-S933 PolarHBondContact O-OG 2.84Å; P930-S933 PolarHBondContact O-N 3.44Å; S933-C935 VanDerWaalsContact C-N 3.32Å; S933-C935 PolarHBondContact O-N 3.34Å; S933-L936 PolarHBondContact O-N 3.04Å; S933-A937 WeakPolarHBondContact O-CB 3.35Å; S933-A937 PolarHBondContact O-N 3.26Å
934	A	75.3	Confident	80.7	Confident	29 Å²	29	51.7 Å²	51.7	24%	0.24	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-34.9	176.8	0	0	0	0	0	113.6	E920 P930 H932 F938	E920-A934 WeakPolarHBondContact OE1-CB 3.44Å; P930-A934 VanDerWaalsContact O-CB 3.31Å; P930-A934 WeakPolarHBondContact O-CB 3.35Å; P930-A934 PolarHBondContact O-N 2.7Å; H932-A934 PolarHBondContact O-N 2.79Å; A934-F938 VanDerWaalsContact O-CB 3.27Å; A934-F938 WeakPolarHBondContact O-CB 3.44Å; A934-F938 PolarHBondContact O-N 3.22Å
935	C	75.3	Confident	80.5	Confident	15 Å²	15	52.2 Å²	52.2	10%	0.101	31%	0.306	C	S	.	.	H	α-helix	trans	-70.4	-43.3	175.8	-74.7	0	0	0	0	112.1	I931 H932 S933 A939 L972	I931-C935 VanDerWaalsContact O-CB 3.25Å; I931-C935 WeakPolarHBondContact O-CB 3.25Å; I931-C935 PolarHBondContact O-N 2.97Å; I931-C935 VanDerWaalsContact O-N 3.11Å; I931-C935 PolarHBondContact O-SG 3.01Å; H932-C935 PolarHBondContact O-N 3.41Å; H932-C935 VanDerWaalsContact O-N 3.11Å; S933-C935 VanDerWaalsContact C-N 3.32Å; S933-C935 PolarHBondContact O-N 3.34Å; C935-A939 VanDerWaalsContact O-CB 3.32Å; C935-A939 WeakPolarHBondContact O-CB 3.49Å; C935-A939 PolarHBondContact O-N 3.18Å; C935-A939 VanDerWaalsContact O-N 3.08Å; C935-L972 HydrophobicContact CB-CD1 3.95Å
936	L	79.1	Confident	80.4	Confident	50 Å²	50	47.5 Å²	47.5	26%	0.262	28%	0.276	S	S	.	.	H	α-helix	trans	-68.8	-41.3	177.3	-71.8	178	0	0	0	111.2	Y919 L923 H932 S933 A939 Y940	Y919-L936 HydrophobicContact CE1-CB 4.42Å; L923-L936 HydrophobicContact CD1-CB 3.56Å; L923-L936 HydrophobicContact CD1-CD1 3.9Å; L923-L936 HydrophobicContact CD1-CG 4.38Å; H932-L936 WeakPolarHBondContact O-CG 3.19Å; H932-L936 PolarHBondContact O-N 2.83Å; S933-L936 PolarHBondContact O-N 3.04Å; L936-A939 CarbonylContact O-C 3.59Å; L936-A939 WeakPolarHBondContact O-CA 3.49Å; L936-A939 PolarHBondContact O-N 2.93Å; L936-A939 VanDerWaalsContact O-N 3.13Å; L936-Y940 WeakPolarHBondContact O-CB 3.14Å; L936-Y940 PolarHBondContact O-N 2.88Å
937	A	83.1	Confident	80.4	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.008	26%	0.262	C	S	.	.	H	α-helix	trans	-61.4	-45.1	173.4	0	0	0	0	0	112.5	S916 Y919 E920 S933 A939 Y940	S916-A937 WeakPolarHBondContact CB-O 3.47Å; S916-A937 WeakPolarHBondContact O-CB 3.23Å; Y919-A937 HydrophobicContact CD1-CB 4.47Å; E920-A937 HydrophobicContact CB-CB 3.61Å; E920-A937 HydrophobicContact CG-CB 4.08Å; S933-A937 WeakPolarHBondContact O-CB 3.35Å; S933-A937 PolarHBondContact O-N 3.26Å; A937-A939 PolarHBondContact O-N 2.86Å; A937-Y940 WeakPolarHBondContact O-CB 3.33Å; A937-Y940 PolarHBondContact O-N 2.8Å
938	F	83.8	Confident	80.7	Confident	45 Å²	45	46.1 Å²	46.1	20%	0.197	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-28.3	174.5	-165.2	-87.2	0	0	0	112.6	A934 Y961 L962	A934-F938 VanDerWaalsContact O-CB 3.27Å; A934-F938 WeakPolarHBondContact O-CB 3.44Å; A934-F938 PolarHBondContact O-N 3.22Å; F938-Y961 HydrophobicContact CD1-CD1 4.47Å; F938-Y961 HydrophobicContact CD1-CE1 4.34Å; F938-Y961 AromaticContact CE1-CD1 3.31Å; F938-Y961 HydrophobicContact CE1-CD1 3.31Å; F938-Y961 AromaticContact CE1-CE1 3.44Å; F938-Y961 HydrophobicContact CE1-CE1 3.44Å; F938-Y961 VanDerWaalsContact CE1-CE1 3.44Å; F938-Y961 HydrophobicContact CE1-CG 4.36Å; F938-Y961 HydrophobicContact CE2-CD1 4.36Å; F938-Y961 AromaticContact CE2-CE1 3.86Å; F938-Y961 HydrophobicContact CE2-CE1 3.86Å; F938-Y961 AromaticContact CZ-CD1 3.24Å; F938-Y961 HydrophobicContact CZ-CD1 3.24Å; F938-Y961 AromaticContact CZ-CE1 3.14Å; F938-Y961 HydrophobicContact CZ-CE1 3.14Å; F938-Y961 HydrophobicContact CZ-CG 4.05Å; F938-Y961 AromaticContact CZ-CZ 3.91Å; F938-L962 HydrophobicContact CD1-CD2 3.87Å; F938-L962 HydrophobicContact CD1-CG 4.31Å; F938-L962 HydrophobicContact CE1-CD2 4.03Å; F938-L962 HydrophobicContact CE1-CG 4.05Å
939	A	82.7	Confident	81	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.033	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	9.5	173.7	0	0	0	0	0	114.2	C935 L936 A937 L972 I975 T976	C935-A939 VanDerWaalsContact O-CB 3.32Å; C935-A939 WeakPolarHBondContact O-CB 3.49Å; C935-A939 PolarHBondContact O-N 3.18Å; C935-A939 VanDerWaalsContact O-N 3.08Å; L936-A939 CarbonylContact O-C 3.59Å; L936-A939 WeakPolarHBondContact O-CA 3.49Å; L936-A939 PolarHBondContact O-N 2.93Å; L936-A939 VanDerWaalsContact O-N 3.13Å; A937-A939 PolarHBondContact O-N 2.86Å; A939-L972 HydrophobicContact CB-CD1 4.41Å; A939-L972 HydrophobicContact CB-CD2 3.52Å; A939-I975 WeakPolarHBondContact O-CG1 3.37Å; A939-T976 PolarHBondContact O-N 2.95Å
940	Y	87.3	Confident	81.4	Confident	44 Å²	44	38.9 Å²	38.9	17%	0.173	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.9	174.7	179	-85.1	0	0	0	108.7	Y919 L936 A937 D942 I978	Y919-Y940 VanDerWaalsContact CD1-CB 3.49Å; Y919-Y940 AromaticContact CD1-CD1 3.97Å; Y919-Y940 HydrophobicContact CD1-CD1 3.97Å; Y919-Y940 AromaticContact CD1-CD2 3.47Å; Y919-Y940 HydrophobicContact CD1-CD2 3.47Å; Y919-Y940 VanDerWaalsContact CD1-CD2 3.47Å; Y919-Y940 HydrophobicContact CD1-CE2 4.09Å; Y919-Y940 AromaticContact CD1-CG 3.39Å; Y919-Y940 HydrophobicContact CD1-CG 3.39Å; Y919-Y940 HydrophobicContact CD2-CD2 4.21Å; Y919-Y940 HydrophobicContact CD2-CE2 4.01Å; Y919-Y940 AromaticContact CE1-CD2 3.45Å; Y919-Y940 HydrophobicContact CE1-CD2 3.45Å; Y919-Y940 VanDerWaalsContact CE1-CD2 3.45Å; Y919-Y940 HydrophobicContact CE1-CE2 4.2Å; Y919-Y940 AromaticContact CE1-CG 3.76Å; Y919-Y940 HydrophobicContact CE1-CG 3.76Å; Y919-Y940 HydrophobicContact CE2-CD2 4.21Å; Y919-Y940 HydrophobicContact CE2-CE2 4.14Å; Y919-Y940 HydrophobicContact CG-CD1 4.13Å; Y919-Y940 AromaticContact CG-CD2 3.86Å; Y919-Y940 HydrophobicContact CG-CD2 3.86Å; Y919-Y940 HydrophobicContact CG-CE1 4.28Å; Y919-Y940 AromaticContact CG-CE2 3.99Å; Y919-Y940 HydrophobicContact CG-CE2 3.99Å; Y919-Y940 AromaticContact CG-CG 3.92Å; Y919-Y940 HydrophobicContact CG-CG 3.92Å; Y919-Y940 AromaticContact CZ-CD2 3.85Å; L936-Y940 WeakPolarHBondContact O-CB 3.14Å; L936-Y940 PolarHBondContact O-N 2.88Å; A937-Y940 WeakPolarHBondContact O-CB 3.33Å; A937-Y940 PolarHBondContact O-N 2.8Å; Y940-D942 HydrophobicContact CE1-CB 3.85Å; Y940-I978 HydrophobicContact CE1-CD1 4.39Å; Y940-I978 HydrophobicContact CE2-CD1 3.64Å; Y940-I978 WeakPolarHBondContact OH-CD1 3.32Å
941	L	90.4	Very high	82	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	96.8	-171.5	178.7	62.9	0	0	0	110.5	V912 L943 V954 L955 R958 I975 T976 V977 I978	V912-L941 HydrophobicContact CG1-CD1 3.53Å; V912-L941 HydrophobicContact CG2-CD1 4.43Å; L941-L943 HydrophobicContact CD1-CD2 3.74Å; L941-L943 HydrophobicContact CD1-CG 4.49Å; L941-L943 HydrophobicContact CD2-CD1 4.46Å; L941-L943 HydrophobicContact CD2-CD2 4.2Å; L941-L943 HydrophobicContact CD2-CG 4.47Å; L941-L943 HydrophobicContact CG-CD2 3.8Å; L941-L943 HydrophobicContact CG-CG 4.05Å; L941-V954 HydrophobicContact CD1-CG1 4.17Å; L941-L955 HydrophobicContact CD2-CB 4.22Å; L941-L955 HydrophobicContact CD2-CD1 3.47Å; L941-L955 VanDerWaalsContact CD2-CD1 3.47Å; L941-L955 HydrophobicContact CD2-CG 4.46Å; L941-R958 HydrophobicContact CD1-CB 4.42Å; L941-R958 HydrophobicContact CD1-CG 4.34Å; L941-R958 HydrophobicContact CD2-CB 4.09Å; L941-R958 HydrophobicContact CD2-CG 4.27Å; L941-I975 HydrophobicContact CB-CD1 4.01Å; L941-I975 HydrophobicContact CD2-CD1 3.98Å; L941-T976 PolarHBondContact N-O 3.5Å; L941-V977 HydrophobicContact CB-CG2 4.43Å; L941-V977 HydrophobicContact CD2-CG1 4.25Å; L941-V977 HydrophobicContact CD2-CG2 4.22Å; L941-V977 HydrophobicContact CG-CG1 4.43Å; L941-V977 CarbonylContact O-C 3.55Å; L941-V977 WeakPolarHBondContact O-CA 3.47Å; L941-I978 PolarHBondContact O-N 3.36Å
942	D	88.1	Confident	82.7	Confident	13 Å²	13	34.9 Å²	34.9	7%	0.07	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	103.8	-178.6	-179	12.8	0	0	0	112.5	R915 Y940 H944 I978	R915-D942 HydrophobicContact CB-CB 4.43Å; R915-D942 IonicContact NE-OD2 3.68Å; R915-D942 PolarHBondContact NH1-O 3.22Å; Y940-D942 HydrophobicContact CE1-CB 3.85Å; D942-H944 IonicContact OD1-CE1 3.86Å; D942-H944 IonicContact OD1-CG 3.05Å; D942-H944 PolarHBondContact OD1-N 2.92Å; D942-H944 VanDerWaalsContact OD1-N 3.17Å; D942-H944 IonicContact OD1-ND1 2.59Å; D942-H944 PolarHBondContact OD1-ND1 3.07Å; D942-H944 IonicContact OD2-CE1 3.24Å; D942-H944 PolarHBondContact OD2-CE1 3.1Å; D942-H944 IonicContact OD2-ND1 2.7Å; D942-H944 PolarHBondContact OD2-ND1 2.91Å; D942-I978 HydrophobicContact CB-CB 4.24Å; D942-I978 HydrophobicContact CB-CD1 4.43Å; D942-I978 WeakPolarHBondContact OD1-CG2 3.31Å
943	L	88.1	Confident	83.5	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.195	C	C	.	.			trans	-93.1	6.1	-174.2	-55.3	175.8	0	0	0	113.4	V912 L941 L946 A951 L955 V977 I978 V1000	V912-L943 HydrophobicContact CG2-CD2 4.4Å; L941-L943 HydrophobicContact CD1-CD2 3.74Å; L941-L943 HydrophobicContact CD1-CG 4.49Å; L941-L943 HydrophobicContact CD2-CD1 4.46Å; L941-L943 HydrophobicContact CD2-CD2 4.2Å; L941-L943 HydrophobicContact CD2-CG 4.47Å; L941-L943 HydrophobicContact CG-CD2 3.8Å; L941-L943 HydrophobicContact CG-CG 4.05Å; L943-L946 HydrophobicContact CB-CD1 4.38Å; L943-L946 HydrophobicContact CD2-CD1 4.1Å; L943-L946 WeakPolarHBondContact O-CB 3.46Å; L943-L946 WeakPolarHBondContact O-CG 3.23Å; L943-L946 PolarHBondContact O-N 3.46Å; L943-A951 HydrophobicContact CB-CB 4.32Å; L943-A951 HydrophobicContact CD1-CB 4.48Å; L943-L955 HydrophobicContact CD1-CB 4.18Å; L943-V977 HydrophobicContact CD1-CG1 3.61Å; L943-V977 HydrophobicContact CG-CG1 4.19Å; L943-I978 WeakPolarHBondContact CB-O 3.26Å; L943-I978 PolarHBondContact N-O 3.23Å; L943-V1000 HydrophobicContact CD1-CG2 4.05Å
944	H	82.3	Confident	84.1	Confident	77 Å²	77	33.4 Å²	33.4	36%	0.356	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	143.6	-175.6	80.7	-100.4	0	0	0	112.5	R915 D942 L946 G980	R915-H944 VanDerWaalsContact CZ-O 3.28Å; R915-H944 PolarHBondContact NE-CE1 3.4Å; R915-H944 PolarHBondContact NH1-O 3.26Å; R915-H944 PolarHBondContact NH2-CD2 3.19Å; R915-H944 PolarHBondContact NH2-CE1 3.49Å; R915-H944 VanDerWaalsContact NH2-CE1 3.27Å; R915-H944 PolarHBondContact NH2-NE2 3.02Å; R915-H944 PolarHBondContact NH2-O 2.95Å; D942-H944 IonicContact OD1-CE1 3.86Å; D942-H944 IonicContact OD1-CG 3.05Å; D942-H944 PolarHBondContact OD1-N 2.92Å; D942-H944 VanDerWaalsContact OD1-N 3.17Å; D942-H944 IonicContact OD1-ND1 2.59Å; D942-H944 PolarHBondContact OD1-ND1 3.07Å; D942-H944 IonicContact OD2-CE1 3.24Å; D942-H944 PolarHBondContact OD2-CE1 3.1Å; D942-H944 IonicContact OD2-ND1 2.7Å; D942-H944 PolarHBondContact OD2-ND1 2.91Å; H944-L946 PolarHBondContact O-N 2.79Å; H944-G980 VanDerWaalsContact CB-CA 3.48Å
945	G	76.7	Confident	84.8	Confident	76 Å²	76	32 Å²	32	78%	0.784	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	8.1	178.8	0	0	0	0	0	115.7
946	L	83.5	Confident	85.5	Confident	20 Å²	20	36.2 Å²	36.2	11%	0.105	20%	0.202	C	C	.	.			trans	-91.8	152.7	174.6	-58.4	-176.9	0	0	0	111.6	A908 L911 V912 L943 H944 A951	A908-L946 HydrophobicContact CB-CD1 4.19Å; A908-L946 HydrophobicContact CB-CD2 3.79Å; L911-L946 HydrophobicContact CD1-CD2 4.19Å; V912-L946 HydrophobicContact CG2-CD1 3.88Å; L943-L946 HydrophobicContact CB-CD1 4.38Å; L943-L946 HydrophobicContact CD2-CD1 4.1Å; L943-L946 WeakPolarHBondContact O-CB 3.46Å; L943-L946 WeakPolarHBondContact O-CG 3.23Å; L943-L946 PolarHBondContact O-N 3.46Å; H944-L946 PolarHBondContact O-N 2.79Å; L946-A951 HydrophobicContact CB-CB 3.98Å; L946-A951 HydrophobicContact CD1-CB 4.46Å
947	S	82	Confident	86	Confident	48 Å²	48	37 Å²	37	34%	0.336	20%	0.204	S	C	.	.			trans	-70.6	151.8	171.3	61.6	0	0	0	0	111.3	S949 C950 A951	S947-S949 VanDerWaalsContact C-N 3.25Å; S947-S949 PolarHBondContact O-N 3.04Å; S947-C950 PolarHBondContact O-N 3.3Å; S947-C950 VanDerWaalsContact O-N 3.14Å; S947-C950 PolarHBondContact OG-SG 3.2Å; S947-A951 WeakPolarHBondContact O-CB 3.45Å; S947-A951 PolarHBondContact O-N 3.28Å
948	K	83.7	Confident	86.2	Confident	107 Å²	107	37.7 Å²	37.7	47%	0.465	21%	0.206	S	C	.	.	H	α-helix	trans	-51.3	-42.2	-176.6	-176.3	-174.2	-179.9	178.8	0	112.7	L952 V995 A999	K948-L952 HydrophobicContact CG-CD1 4.21Å; K948-L952 WeakPolarHBondContact O-CB 3.48Å; K948-L952 VanDerWaalsContact O-CG 3.28Å; K948-L952 WeakPolarHBondContact O-CG 3.48Å; K948-L952 PolarHBondContact O-N 3.2Å; K948-L952 VanDerWaalsContact O-N 3.15Å; K948-V995 HydrophobicContact CB-CG1 4.13Å; K948-V995 HydrophobicContact CD-CG1 3.78Å; K948-V995 HydrophobicContact CG-CG1 4.14Å; K948-A999 HydrophobicContact CD-CB 4.38Å; K948-A999 HydrophobicContact CG-CB 4.04Å
949	S	83.5	Confident	86.3	Confident	59 Å²	59	35.5 Å²	35.5	41%	0.413	20%	0.197	S	C	.	.	H	α-helix	trans	-65.4	-51.8	178.3	48.1	0	0	0	0	112	S947 L952 H953	S947-S949 VanDerWaalsContact C-N 3.25Å; S947-S949 PolarHBondContact O-N 3.04Å; S949-L952 PolarHBondContact O-N 3.06Å; S949-H953 WeakPolarHBondContact O-CB 3.43Å; S949-H953 PolarHBondContact O-N 3.19Å
950	C	86.5	Confident	86.4	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.007	21%	0.213	C	C	.	.	H	α-helix	trans	-67.3	-39.8	-178.1	-58.3	0	0	0	0	112	A908 S947 H953 V954	A908-C950 HydrophobicContact CB-CB 3.7Å; S947-C950 PolarHBondContact O-N 3.3Å; S947-C950 VanDerWaalsContact O-N 3.14Å; S947-C950 PolarHBondContact OG-SG 3.2Å; C950-H953 PolarHBondContact O-N 3.08Å; C950-V954 WeakPolarHBondContact O-CG2 3.22Å; C950-V954 PolarHBondContact O-N 3.12Å
951	A	87.2	Confident	86.2	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-45	176.6	0	0	0	0	0	112.5	L943 L946 S947 L955 L996	L943-A951 HydrophobicContact CB-CB 4.32Å; L943-A951 HydrophobicContact CD1-CB 4.48Å; L946-A951 HydrophobicContact CB-CB 3.98Å; L946-A951 HydrophobicContact CD1-CB 4.46Å; S947-A951 WeakPolarHBondContact O-CB 3.45Å; S947-A951 PolarHBondContact O-N 3.28Å; A951-L955 WeakPolarHBondContact O-CB 3.33Å; A951-L955 PolarHBondContact O-N 3.19Å; A951-L996 HydrophobicContact CB-CD2 3.3Å
952	L	89.2	Confident	85.6	Confident	39 Å²	39	40.1 Å²	40.1	20%	0.204	22%	0.221	C	C	.	.	H	α-helix	trans	-67.7	-36	175.3	-71.5	178.5	0	0	0	112	K948 S949 L955 Q956 A999 Y1003	K948-L952 HydrophobicContact CG-CD1 4.21Å; K948-L952 WeakPolarHBondContact O-CB 3.48Å; K948-L952 VanDerWaalsContact O-CG 3.28Å; K948-L952 WeakPolarHBondContact O-CG 3.48Å; K948-L952 PolarHBondContact O-N 3.2Å; K948-L952 VanDerWaalsContact O-N 3.15Å; S949-L952 PolarHBondContact O-N 3.06Å; L952-L955 HydrophobicContact CD2-CD2 4.3Å; L952-Q956 VanDerWaalsContact O-CB 3.27Å; L952-Q956 WeakPolarHBondContact O-CB 3.41Å; L952-Q956 PolarHBondContact O-N 3.42Å; L952-A999 HydrophobicContact CD1-CB 4.43Å; L952-Y1003 HydrophobicContact CD2-CD2 4.13Å; L952-Y1003 HydrophobicContact CD2-CG 4Å
953	H	88.4	Confident	85	Confident	72 Å²	72	42.8 Å²	42.8	33%	0.333	23%	0.232	S	C	.	.	H	α-helix	trans	-64.7	-49.1	176.6	-166.4	107.9	0	0	0	111.7	L905 S949 C950 L955 Q956 Q957	L905-H953 HydrophobicContact CD1-CB 4.06Å; S949-H953 WeakPolarHBondContact O-CB 3.43Å; S949-H953 PolarHBondContact O-N 3.19Å; C950-H953 PolarHBondContact O-N 3.08Å; H953-L955 PolarHBondContact O-N 2.95Å; H953-Q956 WeakPolarHBondContact O-CB 3.5Å; H953-Q956 PolarHBondContact O-N 2.87Å; H953-Q957 PolarHBondContact CD2-NE2 2.66Å; H953-Q957 PolarHBondContact NE2-NE2 2.8Å; H953-Q957 VanDerWaalsContact NE2-NE2 3.1Å; H953-Q957 WeakPolarHBondContact O-CG 3.37Å; H953-Q957 PolarHBondContact O-N 3Å
954	V	89	Confident	84.2	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-69.5	-33.5	178.7	-177.1	0	0	0	0	111.4	L905 A908 E909 V912 L941 C950 R958	L905-V954 HydrophobicContact CD1-CG2 4.03Å; A908-V954 HydrophobicContact CB-CG2 4.3Å; E909-V954 HydrophobicContact CG-CG2 3.99Å; V912-V954 HydrophobicContact CB-CG1 4.18Å; V912-V954 HydrophobicContact CG1-CG1 3.95Å; V912-V954 HydrophobicContact CG2-CG1 4.07Å; L941-V954 HydrophobicContact CD1-CG1 4.17Å; C950-V954 WeakPolarHBondContact O-CG2 3.22Å; C950-V954 PolarHBondContact O-N 3.12Å; V954-R958 VanDerWaalsContact O-CB 3.27Å; V954-R958 WeakPolarHBondContact O-CB 3.44Å; V954-R958 PolarHBondContact O-N 3.19Å
955	L	90.9	Very high	83.5	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-44.1	169.3	177.4	63.5	0	0	0	112.1	L941 L943 A951 L952 H953 L959 V977 V1000 Y1003	L941-L955 HydrophobicContact CD2-CB 4.22Å; L941-L955 HydrophobicContact CD2-CD1 3.47Å; L941-L955 VanDerWaalsContact CD2-CD1 3.47Å; L941-L955 HydrophobicContact CD2-CG 4.46Å; L943-L955 HydrophobicContact CD1-CB 4.18Å; A951-L955 WeakPolarHBondContact O-CB 3.33Å; A951-L955 PolarHBondContact O-N 3.19Å; L952-L955 HydrophobicContact CD2-CD2 4.3Å; H953-L955 PolarHBondContact O-N 2.95Å; L955-L959 HydrophobicContact CD1-CD1 3.63Å; L955-L959 HydrophobicContact CD1-CG 4.02Å; L955-L959 HydrophobicContact CG-CD1 3.86Å; L955-L959 VanDerWaalsContact O-CB 3.28Å; L955-L959 WeakPolarHBondContact O-CB 3.21Å; L955-L959 WeakPolarHBondContact O-CG 3.22Å; L955-L959 PolarHBondContact O-N 2.98Å; L955-V977 HydrophobicContact CD1-CG1 4.19Å; L955-V977 HydrophobicContact CD1-CG2 4.02Å; L955-V1000 HydrophobicContact CD2-CB 4.42Å; L955-V1000 HydrophobicContact CD2-CG1 4.02Å; L955-V1000 HydrophobicContact CD2-CG2 4.01Å; L955-Y1003 HydrophobicContact CD2-CD1 3.79Å; L955-Y1003 HydrophobicContact CD2-CE1 4.28Å; L955-Y1003 HydrophobicContact CD2-CG 4.34Å; L955-Y1003 HydrophobicContact CG-CD1 4.3Å; L955-Y1003 HydrophobicContact CG-CE1 4.3Å
956	Q	90.6	Very high	82.9	Confident	102 Å²	102	42.8 Å²	42.8	48%	0.477	21%	0.214	S	C	.	.	H	α-helix	trans	-62.2	-52.5	176.1	178.5	171.1	-11.3	0	0	111.1	L952 H953 R958 L959 T960 Y1003	L952-Q956 VanDerWaalsContact O-CB 3.27Å; L952-Q956 WeakPolarHBondContact O-CB 3.41Å; L952-Q956 PolarHBondContact O-N 3.42Å; H953-Q956 WeakPolarHBondContact O-CB 3.5Å; H953-Q956 PolarHBondContact O-N 2.87Å; Q956-R958 VanDerWaalsContact C-N 3.34Å; Q956-R958 PolarHBondContact O-N 3.32Å; Q956-L959 PolarHBondContact O-N 3.35Å; Q956-T960 PolarHBondContact O-N 2.68Å; Q956-T960 PolarHBondContact O-OG1 2.84Å; Q956-T960 VanDerWaalsContact O-OG1 3.12Å; Q956-Y1003 WeakPolarHBondContact CA-OH 3.44Å; Q956-Y1003 HydrophobicContact CB-CE2 4.32Å; Q956-Y1003 WeakPolarHBondContact CB-OH 3.48Å; Q956-Y1003 WeakPolarHBondContact CG-OH 3.48Å
957	Q	88.2	Confident	81.6	Confident	67 Å²	67	47.9 Å²	47.9	31%	0.313	24%	0.241	S	C	.	.	H	α-helix	trans	-53.3	-47.7	175.7	-72.7	177.3	-6.1	0	0	112.4	E909 H953 T960 Y961	E909-Q957 PolarHBondContact OE1-NE2 3.04Å; H953-Q957 PolarHBondContact CD2-NE2 2.66Å; H953-Q957 PolarHBondContact NE2-NE2 2.8Å; H953-Q957 VanDerWaalsContact NE2-NE2 3.1Å; H953-Q957 WeakPolarHBondContact O-CG 3.37Å; H953-Q957 PolarHBondContact O-N 3Å; Q957-T960 PolarHBondContact O-OG1 2.93Å; Q957-T960 VanDerWaalsContact O-OG1 3.08Å; Q957-Y961 WeakPolarHBondContact O-CB 3.25Å; Q957-Y961 PolarHBondContact O-N 3.27Å
958	R	87.7	Confident	80.3	Confident	15 Å²	15	48.9 Å²	48.9	6%	0.057	24%	0.238	C	C	.	.	H	α-helix	trans	-69	-39.3	-176.9	-163.4	66.8	57.2	140.1	-6.5	111.1	D913 L941 V954 Q956 L962 I975	D913-R958 IonicContact OD1-CZ 2.66Å; D913-R958 IonicContact OD1-NH1 3.63Å; D913-R958 IonicContact OD1-NH2 3.89Å; D913-R958 PolarHBondContact OD1-NH2 3.24Å; L941-R958 HydrophobicContact CD1-CB 4.42Å; L941-R958 HydrophobicContact CD1-CG 4.34Å; L941-R958 HydrophobicContact CD2-CB 4.09Å; L941-R958 HydrophobicContact CD2-CG 4.27Å; V954-R958 VanDerWaalsContact O-CB 3.27Å; V954-R958 WeakPolarHBondContact O-CB 3.44Å; V954-R958 PolarHBondContact O-N 3.19Å; Q956-R958 VanDerWaalsContact C-N 3.34Å; Q956-R958 PolarHBondContact O-N 3.32Å; R958-L962 HydrophobicContact CG-CD1 4.32Å; R958-L962 VanDerWaalsContact O-CB 3.28Å; R958-L962 WeakPolarHBondContact O-CB 3.31Å; R958-L962 VanDerWaalsContact O-CG 3.29Å; R958-L962 WeakPolarHBondContact O-CG 3.4Å; R958-L962 PolarHBondContact O-N 3.46Å; R958-I975 HydrophobicContact CG-CD1 4.06Å
959	L	87.2	Confident	79.1	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.9	-40.1	177.3	-77.5	171.7	0	0	0	113.4	L955 Q956 K963 I975 Y1003 L1004 Y1009 L1026	L955-L959 HydrophobicContact CD1-CD1 3.63Å; L955-L959 HydrophobicContact CD1-CG 4.02Å; L955-L959 HydrophobicContact CG-CD1 3.86Å; L955-L959 VanDerWaalsContact O-CB 3.28Å; L955-L959 WeakPolarHBondContact O-CB 3.21Å; L955-L959 WeakPolarHBondContact O-CG 3.22Å; L955-L959 PolarHBondContact O-N 2.98Å; Q956-L959 PolarHBondContact O-N 3.35Å; L959-K963 VanDerWaalsContact O-CB 3.23Å; L959-K963 WeakPolarHBondContact O-CB 3.26Å; L959-K963 PolarHBondContact O-N 3.17Å; L959-I975 HydrophobicContact CD2-CD1 4.39Å; L959-I975 HydrophobicContact CD2-CG2 3.82Å; L959-Y1003 HydrophobicContact CD1-CD1 4.48Å; L959-Y1003 HydrophobicContact CD1-CE1 3.76Å; L959-L1004 HydrophobicContact CD1-CD2 4.05Å; L959-Y1009 HydrophobicContact CD1-CD2 4.44Å; L959-Y1009 HydrophobicContact CD1-CE2 4.08Å; L959-Y1009 HydrophobicContact CD2-CE1 4.43Å; L959-L1026 HydrophobicContact CD2-CD2 3.74Å
960	T	83.6	Confident	77.9	Confident	61 Å²	61	51 Å²	51	37%	0.374	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-53.9	174.3	51.7	0	0	0	0	109.8	Q956 Q957 L962 K963 D964	Q956-T960 PolarHBondContact O-N 2.68Å; Q956-T960 PolarHBondContact O-OG1 2.84Å; Q956-T960 VanDerWaalsContact O-OG1 3.12Å; Q957-T960 PolarHBondContact O-OG1 2.93Å; Q957-T960 VanDerWaalsContact O-OG1 3.08Å; T960-L962 VanDerWaalsContact C-N 3.27Å; T960-L962 PolarHBondContact O-N 3.23Å; T960-L962 VanDerWaalsContact O-N 3.17Å; T960-K963 CarbonylContact O-C 3.56Å; T960-K963 WeakPolarHBondContact O-CA 3.38Å; T960-K963 WeakPolarHBondContact O-CB 3.26Å; T960-K963 PolarHBondContact O-N 3.16Å; T960-D964 PolarHBondContact O-N 3.49Å
961	Y	82.5	Confident	76.6	Confident	83 Å²	83	55.6 Å²	55.6	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-54.2	-40.5	177.9	-172.6	-78.8	0	0	0	113.2	F938 Q957 K965	F938-Y961 HydrophobicContact CD1-CD1 4.47Å; F938-Y961 HydrophobicContact CD1-CE1 4.34Å; F938-Y961 AromaticContact CE1-CD1 3.31Å; F938-Y961 HydrophobicContact CE1-CD1 3.31Å; F938-Y961 AromaticContact CE1-CE1 3.44Å; F938-Y961 HydrophobicContact CE1-CE1 3.44Å; F938-Y961 VanDerWaalsContact CE1-CE1 3.44Å; F938-Y961 HydrophobicContact CE1-CG 4.36Å; F938-Y961 HydrophobicContact CE2-CD1 4.36Å; F938-Y961 AromaticContact CE2-CE1 3.86Å; F938-Y961 HydrophobicContact CE2-CE1 3.86Å; F938-Y961 AromaticContact CZ-CD1 3.24Å; F938-Y961 HydrophobicContact CZ-CD1 3.24Å; F938-Y961 AromaticContact CZ-CE1 3.14Å; F938-Y961 HydrophobicContact CZ-CE1 3.14Å; F938-Y961 HydrophobicContact CZ-CG 4.05Å; F938-Y961 AromaticContact CZ-CZ 3.91Å; Q957-Y961 WeakPolarHBondContact O-CB 3.25Å; Q957-Y961 PolarHBondContact O-N 3.27Å; Y961-K965 HydrophobicContact CD1-CD 4.01Å; Y961-K965 HydrophobicContact CD1-CG 4.41Å; Y961-K965 HydrophobicContact CE1-CD 3.52Å; Y961-K965 VanDerWaalsContact CE1-CE 3.45Å; Y961-K965 HydrophobicContact CE1-CG 4.36Å; Y961-K965 VanDerWaalsContact CZ-NZ 3.34Å; Y961-K965 WeakPolarHBondContact O-CB 3.49Å; Y961-K965 WeakPolarHBondContact O-CG 3.16Å; Y961-K965 PolarHBondContact O-N 3.07Å; Y961-K965 WeakPolarHBondContact OH-CE 3.36Å; Y961-K965 PolarHBondContact OH-NZ 3.11Å
962	L	79	Confident	75.5	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-39.3	173.9	-81.4	171	0	0	0	112.9	F938 R958 T960 K965 L966 I975 L1026	F938-L962 HydrophobicContact CD1-CD2 3.87Å; F938-L962 HydrophobicContact CD1-CG 4.31Å; F938-L962 HydrophobicContact CE1-CD2 4.03Å; F938-L962 HydrophobicContact CE1-CG 4.05Å; R958-L962 HydrophobicContact CG-CD1 4.32Å; R958-L962 VanDerWaalsContact O-CB 3.28Å; R958-L962 WeakPolarHBondContact O-CB 3.31Å; R958-L962 VanDerWaalsContact O-CG 3.29Å; R958-L962 WeakPolarHBondContact O-CG 3.4Å; R958-L962 PolarHBondContact O-N 3.46Å; T960-L962 VanDerWaalsContact C-N 3.27Å; T960-L962 PolarHBondContact O-N 3.23Å; T960-L962 VanDerWaalsContact O-N 3.17Å; L962-K965 CarbonylContact O-C 3.35Å; L962-K965 PolarHBondContact O-N 2.72Å; L962-L966 WeakPolarHBondContact O-CA 3.48Å; L962-L966 WeakPolarHBondContact O-CB 3.37Å; L962-L966 PolarHBondContact O-N 3.25Å; L962-I975 HydrophobicContact CD1-CB 3.91Å; L962-I975 HydrophobicContact CD1-CD1 3.67Å; L962-I975 HydrophobicContact CD1-CG1 3.83Å; L962-L1026 HydrophobicContact CB-CD1 4.24Å; L962-L1026 HydrophobicContact CB-CD2 4.42Å; L962-L1026 HydrophobicContact CD1-CD1 4.37Å
963	K	74.3	Confident	74.7	Confident	68 Å²	68	60 Å²	60	30%	0.296	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-43.7	177	-180	168.2	174	167.2	0	111.7	L959 T960 K965 L966 S1029	L959-K963 VanDerWaalsContact O-CB 3.23Å; L959-K963 WeakPolarHBondContact O-CB 3.26Å; L959-K963 PolarHBondContact O-N 3.17Å; T960-K963 CarbonylContact O-C 3.56Å; T960-K963 WeakPolarHBondContact O-CA 3.38Å; T960-K963 WeakPolarHBondContact O-CB 3.26Å; T960-K963 PolarHBondContact O-N 3.16Å; K963-K965 VanDerWaalsContact C-N 3.35Å; K963-L966 VanDerWaalsContact O-CB 3.23Å; K963-L966 WeakPolarHBondContact O-CB 3.47Å; K963-L966 PolarHBondContact O-N 3.01Å; K963-L966 VanDerWaalsContact O-N 3.16Å; K963-S1029 PolarHBondContact NZ-OG 3.21Å
964	D	71.2	Confident	74.4	Confident	76 Å²	76	61.1 Å²	61.1	41%	0.406	29%	0.293	S	S	.	.	H	α-helix	trans	-71.4	-32	179	-59.6	-46.5	0	0	0	111.5	T960	T960-D964 PolarHBondContact O-N 3.49Å
965	K	69.6	Low	74.3	Confident	49 Å²	49	61.1 Å²	61.1	21%	0.213	29%	0.292	C	S	.	.	H	α-helix	trans	-81.7	-9.9	168.6	-71.8	-164.6	172.9	-179.1	0	115.4	Y961 L962 K963 N967 R968 L969	Y961-K965 HydrophobicContact CD1-CD 4.01Å; Y961-K965 HydrophobicContact CD1-CG 4.41Å; Y961-K965 HydrophobicContact CE1-CD 3.52Å; Y961-K965 VanDerWaalsContact CE1-CE 3.45Å; Y961-K965 HydrophobicContact CE1-CG 4.36Å; Y961-K965 VanDerWaalsContact CZ-NZ 3.34Å; Y961-K965 WeakPolarHBondContact O-CB 3.49Å; Y961-K965 WeakPolarHBondContact O-CG 3.16Å; Y961-K965 PolarHBondContact O-N 3.07Å; Y961-K965 WeakPolarHBondContact OH-CE 3.36Å; Y961-K965 PolarHBondContact OH-NZ 3.11Å; L962-K965 CarbonylContact O-C 3.35Å; L962-K965 PolarHBondContact O-N 2.72Å; K963-K965 VanDerWaalsContact C-N 3.35Å; K965-N967 PolarHBondContact O-N 3.01Å; K965-R968 WeakPolarHBondContact O-CA 3.41Å; K965-R968 VanDerWaalsContact O-CB 3.26Å; K965-R968 WeakPolarHBondContact O-CB 3.23Å; K965-R968 WeakPolarHBondContact O-CG 3.41Å; K965-R968 PolarHBondContact O-N 3.45Å; K965-L969 HydrophobicContact CB-CD1 3.94Å; K965-L969 HydrophobicContact CD-CD1 4.41Å; K965-L969 PolarHBondContact O-N 3.48Å
966	L	63.5	Low	74.2	Confident	28 Å²	28	63.2 Å²	63.2	15%	0.147	31%	0.305	C	S	.	.	H	α-helix	trans	-61.7	-34.2	-174.9	-153.2	72.9	0	0	0	112.1	L962 K963 R968 L969 L972 L1026	L962-L966 WeakPolarHBondContact O-CA 3.48Å; L962-L966 WeakPolarHBondContact O-CB 3.37Å; L962-L966 PolarHBondContact O-N 3.25Å; K963-L966 VanDerWaalsContact O-CB 3.23Å; K963-L966 WeakPolarHBondContact O-CB 3.47Å; K963-L966 PolarHBondContact O-N 3.01Å; K963-L966 VanDerWaalsContact O-N 3.16Å; L966-R968 PolarHBondContact O-N 3.01Å; L966-R968 VanDerWaalsContact O-N 3.15Å; L966-L969 PolarHBondContact O-N 3.18Å; L966-L972 VanDerWaalsContact CD1-O 3.23Å; L966-L972 WeakPolarHBondContact CD1-O 3.4Å; L966-L1026 HydrophobicContact CD1-CB 3.62Å; L966-L1026 HydrophobicContact CD1-CD1 3.65Å; L966-L1026 HydrophobicContact CD1-CG 4.26Å; L966-L1026 HydrophobicContact CD2-CB 3.82Å; L966-L1026 HydrophobicContact CG-CB 4.41Å
967	N	55.5	Low	74.1	Confident	127 Å²	127	58.4 Å²	58.4	68%	0.679	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-24	173.3	-63.9	-53	0	0	0	113.4	K965	K965-N967 PolarHBondContact O-N 3.01Å
968	R	55.9	Low	74	Confident	70 Å²	70	56.7 Å²	56.7	26%	0.264	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-44.3	178.1	-36.9	160.7	84.8	143.4	0.5	110.1	L213 L214 S215 K965 L966 K970	L213-R968 VanDerWaalsContact C-NE 3.33Å; L213-R968 VanDerWaalsContact C-NH2 3.31Å; L213-R968 HydrophobicContact CB-CG 4.11Å; L213-R968 WeakPolarHBondContact O-CD 3.33Å; L213-R968 VanDerWaalsContact O-CG 3.25Å; L213-R968 WeakPolarHBondContact O-CG 3.41Å; L213-R968 PolarHBondContact O-NE 2.74Å; L214-R968 VanDerWaalsContact C-NH2 3.29Å; L214-R968 PolarHBondContact O-NH2 2.79Å; S215-R968 WeakPolarHBondContact OG-CB 3.45Å; K965-R968 WeakPolarHBondContact O-CA 3.41Å; K965-R968 VanDerWaalsContact O-CB 3.26Å; K965-R968 WeakPolarHBondContact O-CB 3.23Å; K965-R968 WeakPolarHBondContact O-CG 3.41Å; K965-R968 PolarHBondContact O-N 3.45Å; L966-R968 PolarHBondContact O-N 3.01Å; L966-R968 VanDerWaalsContact O-N 3.15Å; R968-K970 PolarHBondContact O-N 2.83Å
969	L	58.2	Low	73.6	Confident	23 Å²	23	56.5 Å²	56.5	12%	0.12	28%	0.276	C	S	.	.			trans	-95.7	63.5	-169.2	-65.4	168.5	0	0	0	113.2	K965 L966 S971 L972	K965-L969 HydrophobicContact CB-CD1 3.94Å; K965-L969 HydrophobicContact CD-CD1 4.41Å; K965-L969 PolarHBondContact O-N 3.48Å; L966-L969 PolarHBondContact O-N 3.18Å; L969-S971 PolarHBondContact O-N 3.28Å; L969-L972 HydrophobicContact CB-CB 4.31Å; L969-L972 HydrophobicContact CD1-CD1 4.08Å; L969-L972 PolarHBondContact O-N 3.06Å
970	K	57	Low	72.6	Confident	187 Å²	187	57.3 Å²	57.3	81%	0.813	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-17.8	-179.5	-69.9	-175.2	177	-179.7	0	115.8	R968	R968-K970 PolarHBondContact O-N 2.83Å
971	S	60.4	Low	71.5	Confident	97 Å²	97	62.6 Å²	62.6	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-34.3	176.1	46.8	0	0	0	0	113.7	L969 K973	L969-S971 PolarHBondContact O-N 3.28Å; S971-K973 PolarHBondContact O-N 2.76Å; S971-K973 VanDerWaalsContact O-N 3.09Å
972	L	64.4	Low	69.5	Low	17 Å²	17	61.7 Å²	61.7	9%	0.089	31%	0.307	C	S	.	.			trans	-84.7	85.3	-175	-90.7	167.8	0	0	0	111	C935 A939 L966 L969	C935-L972 HydrophobicContact CB-CD1 3.95Å; A939-L972 HydrophobicContact CB-CD1 4.41Å; A939-L972 HydrophobicContact CB-CD2 3.52Å; L966-L972 VanDerWaalsContact CD1-O 3.23Å; L966-L972 WeakPolarHBondContact CD1-O 3.4Å; L969-L972 HydrophobicContact CB-CB 4.31Å; L969-L972 HydrophobicContact CD1-CD1 4.08Å; L969-L972 PolarHBondContact O-N 3.06Å
973	K	72.1	Confident	67.4	Low	115 Å²	115	66.8 Å²	66.8	50%	0.5	35%	0.35	S	S	.	.			trans	-81	-17.4	175.9	-62.8	177.5	-176.6	173.2	0	113.5	S971 L1026	S971-K973 PolarHBondContact O-N 2.76Å; S971-K973 VanDerWaalsContact O-N 3.09Å; K973-L1026 PolarHBondContact O-N 3.44Å
974	Y	81.5	Confident	65.1	Low	97 Å²	97	66.7 Å²	66.7	38%	0.38	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.1	-170.1	-52.9	-87.7	0	0	0	112.3	T1023 V1024 N1025	Y974-T1023 HydrophobicContact CD1-CG2 3.67Å; Y974-T1023 HydrophobicContact CE1-CG2 4.41Å; Y974-T1023 HydrophobicContact CG-CG2 3.93Å; Y974-V1024 CarbonylContact C-O 3.43Å; Y974-V1024 WeakPolarHBondContact CA-O 3.42Å; Y974-N1025 HydrophobicContact CD1-CB 3.96Å; Y974-N1025 HydrophobicContact CE1-CB 3.93Å
975	I	87.6	Confident	63.1	Low	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.5	166.4	-178	-163.4	0	0	0	108.6	A939 L941 R958 L959 L962 V977 V1024 L1026	A939-I975 WeakPolarHBondContact O-CG1 3.37Å; L941-I975 HydrophobicContact CB-CD1 4.01Å; L941-I975 HydrophobicContact CD2-CD1 3.98Å; R958-I975 HydrophobicContact CG-CD1 4.06Å; L959-I975 HydrophobicContact CD2-CD1 4.39Å; L959-I975 HydrophobicContact CD2-CG2 3.82Å; L962-I975 HydrophobicContact CD1-CB 3.91Å; L962-I975 HydrophobicContact CD1-CD1 3.67Å; L962-I975 HydrophobicContact CD1-CG1 3.83Å; I975-V977 HydrophobicContact CD1-CG2 4.06Å; I975-V977 HydrophobicContact CG1-CG2 4.35Å; I975-V977 HydrophobicContact CG2-CG2 4.43Å; I975-V1024 HydrophobicContact CG2-CB 3.68Å; I975-V1024 HydrophobicContact CG2-CG1 4.43Å; I975-V1024 HydrophobicContact CG2-CG2 4.33Å; I975-V1024 PolarHBondContact N-O 3.31Å; I975-V1024 PolarHBondContact O-N 2.87Å; I975-L1026 HydrophobicContact CG2-CD2 3.94Å; I975-L1026 HydrophobicContact CG2-CG 4.43Å
976	T	87.7	Confident	61.3	Low	45 Å²	45	77.5 Å²	77.5	28%	0.276	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.6	176	-63.2	0	0	0	0	109.6	A939 L941 H1021 F1022	A939-T976 PolarHBondContact O-N 2.95Å; L941-T976 PolarHBondContact N-O 3.5Å; T976-H1021 HydrophobicContact CG2-CB 4.27Å; T976-F1022 WeakPolarHBondContact CA-O 3.4Å
977	V	89.3	Confident	59.8	Low	0 Å²	0	80.5 Å²	80.5	0%	0	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	121	179.9	-171.2	0	0	0	0	110.4	L941 L943 L955 I975 V1000 H1021 F1022 V1024	L941-V977 HydrophobicContact CB-CG2 4.43Å; L941-V977 HydrophobicContact CD2-CG1 4.25Å; L941-V977 HydrophobicContact CD2-CG2 4.22Å; L941-V977 HydrophobicContact CG-CG1 4.43Å; L941-V977 CarbonylContact O-C 3.55Å; L941-V977 WeakPolarHBondContact O-CA 3.47Å; L943-V977 HydrophobicContact CD1-CG1 3.61Å; L943-V977 HydrophobicContact CG-CG1 4.19Å; L955-V977 HydrophobicContact CD1-CG1 4.19Å; L955-V977 HydrophobicContact CD1-CG2 4.02Å; I975-V977 HydrophobicContact CD1-CG2 4.06Å; I975-V977 HydrophobicContact CG1-CG2 4.35Å; I975-V977 HydrophobicContact CG2-CG2 4.43Å; V977-V1000 HydrophobicContact CG1-CG1 4.37Å; V977-H1021 CarbonylContact O-C 3.54Å; V977-H1021 WeakPolarHBondContact O-CA 3.2Å; V977-F1022 HydrophobicContact CB-CB 4.32Å; V977-F1022 PolarHBondContact N-O 3.32Å; V977-F1022 PolarHBondContact O-N 3.29Å; V977-V1024 HydrophobicContact CG2-CG2 4.03Å
978	I	86	Confident	58.6	Low	32 Å²	32	80.7 Å²	80.7	16%	0.164	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	130.9	178.2	-63.1	166.5	0	0	0	109	Y940 L941 D942 L943 H1021	Y940-I978 HydrophobicContact CE1-CD1 4.39Å; Y940-I978 HydrophobicContact CE2-CD1 3.64Å; Y940-I978 WeakPolarHBondContact OH-CD1 3.32Å; L941-I978 PolarHBondContact O-N 3.36Å; D942-I978 HydrophobicContact CB-CB 4.24Å; D942-I978 HydrophobicContact CB-CD1 4.43Å; D942-I978 WeakPolarHBondContact OD1-CG2 3.31Å; L943-I978 WeakPolarHBondContact CB-O 3.26Å; L943-I978 PolarHBondContact N-O 3.23Å; I978-H1021 HydrophobicContact CG1-CB 3.93Å
979	T	78.6	Confident	57.3	Low	11 Å²	11	86 Å²	86	7%	0.067	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	10.9	179.4	56.4	0	0	0	0	114	V1000 F1022	T979-V1000 HydrophobicContact CG2-CB 4.05Å; T979-V1000 HydrophobicContact CG2-CG1 4.37Å; T979-V1000 HydrophobicContact CG2-CG2 3.71Å; T979-F1022 HydrophobicContact CG2-CD2 4.17Å; T979-F1022 HydrophobicContact CG2-CE2 3.77Å
980	G	66.3	Low	56	Low	17 Å²	17	90.1 Å²	90.1	18%	0.175	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	78	179.9	-178	0	0	0	0	0	114.6	H944	H944-G980 VanDerWaalsContact CB-CA 3.48Å
981	R	60	Low	54.6	Low	172 Å²	172	87.5 Å²	87.5	65%	0.649	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	148.8	168.3	-60.3	-152.4	155.3	166.9	-9.5	110.1	V1017 G1018	R981-V1017 PolarHBondContact NH2-O 2.99Å; R981-G1018 WeakPolarHBondContact CA-O 3.32Å; R981-G1018 WeakPolarHBondContact CB-O 3.21Å; R981-G1018 WeakPolarHBondContact CG-O 3.42Å
982	A	41.9	Very low	53.4	Low	64 Å²	64	89.3 Å²	89.3	53%	0.529	51%	0.51	S	S	.	.			trans	-69.7	130.2	153.5	0	0	0	0	0	107.7	G984 P994	A982-G984 VanDerWaalsContact C-N 3.28Å; A982-G984 PolarHBondContact O-N 3.08Å; A982-P994 HydrophobicContact CB-CB 4Å; A982-P994 HydrophobicContact CB-CG 4.43Å
983	A	34.1	Very low	52	Low	108 Å²	108	91.8 Å²	91.8	89%	0.893	53%	0.533	S	S	*	.			trans	-75.7	83	176.5	0	0	0	0	0	109.6
984	G	27.4	Very low	51	Low	65 Å²	65	90 Å²	90	67%	0.67	53%	0.533	S	S	*	.			trans	-113.3	65.3	177.2	0	0	0	0	0	111.4	A982	A982-G984 VanDerWaalsContact C-N 3.28Å; A982-G984 PolarHBondContact O-N 3.08Å
985	N	29.1	Very low	50.1	Low	140 Å²	140	88.9 Å²	88.9	75%	0.749	54%	0.536	S	S	*	.			trans	-118.3	143	167.7	-78.2	4.3	0	0	0	108.4	S987	N985-S987 VanDerWaalsContact C-N 3.29Å; N985-S987 PolarHBondContact O-N 2.9Å
986	E	30.1	Very low	49.6	Very low	213 Å²	213	90.1 Å²	90.1	100%	0.995	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	38.4	-160.2	-57.3	178.6	114.9	0	0	115.3
987	S	32.5	Very low	49.2	Very low	91 Å²	91	93 Å²	93	64%	0.636	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133	-29.7	-175.3	52.4	0	0	0	0	116.6	N985	N985-S987 VanDerWaalsContact C-N 3.29Å; N985-S987 PolarHBondContact O-N 2.9Å
988	D	30.5	Very low	48.9	Very low	131 Å²	131	96.6 Å²	96.6	70%	0.701	57%	0.572	S	S	*	*			trans	-102	119	-160.1	-57.6	3.3	0	0	0	112.1	V990	D988-V990 VanDerWaalsContact C-N 3.25Å; D988-V990 PolarHBondContact O-N 2.92Å
989	L	28	Very low	48.8	Very low	181 Å²	181	95.3 Å²	95.3	95%	0.948	57%	0.566	S	S	*	*			trans	-78.7	50.9	-172.3	-77.5	164	0	0	0	114.7
990	V	32.2	Very low	49.2	Very low	110 Å²	110	94.9 Å²	94.9	67%	0.667	56%	0.563	S	S	*	*			trans	-134.3	96.9	174.8	-176.8	0	0	0	0	111.2	D988 I992	D988-V990 VanDerWaalsContact C-N 3.25Å; D988-V990 PolarHBondContact O-N 2.92Å; V990-I992 HydrophobicContact CG1-CD1 3.87Å; V990-I992 HydrophobicContact CG1-CG1 4.02Å; V990-I992 PolarHBondContact O-N 3.23Å
991	S	28	Very low	50.1	Low	131 Å²	131	96.1 Å²	96.1	92%	0.916	57%	0.565	S	S	*	*			trans	-78.3	67.8	-173.6	50.3	0	0	0	0	114.6
992	I	33.2	Very low	51.3	Low	136 Å²	136	94 Å²	94	70%	0.697	56%	0.563	S	S	*	*			trans	-99	100.9	172.5	-61.1	171.8	0	0	0	110.3	V990	V990-I992 HydrophobicContact CG1-CD1 3.87Å; V990-I992 HydrophobicContact CG1-CG1 4.02Å; V990-I992 PolarHBondContact O-N 3.23Å
993	A	36.6	Very low	53.5	Low	69 Å²	69	92.5 Å²	92.5	57%	0.57	54%	0.543	S	S	*	.			trans	-55.6	158	172.3	0	0	0	0	0	112.1	V995	A993-V995 VanDerWaalsContact C-N 3.28Å; A993-V995 WeakPolarHBondContact O-CG2 3.46Å; A993-V995 PolarHBondContact O-N 3.17Å
994	P	50.6	Low	56.1	Low	77 Å²	77	87.3 Å²	87.3	50%	0.5	50%	0.501	S	S	.	.			trans	-76.8	67.2	-169.5	31.6	-37.4	0	0	0	113.8	A982 L996 R997 P998	A982-P994 HydrophobicContact CB-CB 4Å; A982-P994 HydrophobicContact CB-CG 4.43Å; P994-L996 VanDerWaalsContact C-N 3.29Å; P994-L996 PolarHBondContact O-N 3.03Å; P994-R997 PolarHBondContact O-N 3.44Å; P994-P998 WeakPolarHBondContact O-CD 3.46Å
995	V	62	Low	58.9	Low	74 Å²	74	89.6 Å²	89.6	45%	0.448	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-34.1	-171.6	-174.5	0	0	0	0	113.9	K948 A993 A999	K948-V995 HydrophobicContact CB-CG1 4.13Å; K948-V995 HydrophobicContact CD-CG1 3.78Å; K948-V995 HydrophobicContact CG-CG1 4.14Å; A993-V995 VanDerWaalsContact C-N 3.28Å; A993-V995 WeakPolarHBondContact O-CG2 3.46Å; A993-V995 PolarHBondContact O-N 3.17Å; V995-A999 VanDerWaalsContact O-CB 3.26Å; V995-A999 WeakPolarHBondContact O-CB 3.48Å; V995-A999 PolarHBondContact O-N 3.27Å
996	L	77.1	Confident	61.6	Low	26 Å²	26	93.5 Å²	93.5	14%	0.136	50%	0.501	C	S	.	.	H	α-helix	trans	-64.4	-46.3	-174.6	-76.1	167	0	0	0	113.1	A951 P994 A999 V1000	A951-L996 HydrophobicContact CB-CD2 3.3Å; P994-L996 VanDerWaalsContact C-N 3.29Å; P994-L996 PolarHBondContact O-N 3.03Å; L996-A999 PolarHBondContact O-N 2.59Å; L996-V1000 WeakPolarHBondContact O-CG2 3.31Å; L996-V1000 PolarHBondContact O-N 2.78Å
997	R	80	Confident	64.1	Low	104 Å²	104	86.8 Å²	86.8	39%	0.392	47%	0.472	S	S	.	.	H	α-helix	trans	-63.4	-50	-172.6	-177	-169.2	171.4	-137.4	-11.7	112.3	P994 A999 I1001 E1013 F1022	P994-R997 PolarHBondContact O-N 3.44Å; R997-A999 PolarHBondContact O-N 3.22Å; R997-I1001 HydrophobicContact CG-CD1 4.27Å; R997-I1001 WeakPolarHBondContact O-CG1 3.48Å; R997-I1001 PolarHBondContact O-N 3.16Å; R997-I1001 VanDerWaalsContact O-N 3.12Å; R997-E1013 IonicContact CZ-OE1 3.17Å; R997-E1013 IonicContact CZ-OE2 2.98Å; R997-E1013 IonicContact NE-OE1 2.91Å; R997-E1013 PolarHBondContact NE-OE1 2.92Å; R997-E1013 IonicContact NE-OE2 3.84Å; R997-E1013 IonicContact NH2-OE1 3.91Å; R997-E1013 PolarHBondContact NH2-OE1 3.1Å; R997-E1013 IonicContact NH2-OE2 2.67Å; R997-E1013 PolarHBondContact NH2-OE2 3.09Å; R997-F1022 HydrophobicContact CG-CE2 4.24Å; R997-F1022 HydrophobicContact CG-CZ 3.81Å
998	P	82	Confident	66.5	Low	77 Å²	77	84.2 Å²	84.2	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-64.1	-36.1	173.1	-21.4	34.2	0	0	0	113.2	P994 I1001 Q1002	P994-P998 WeakPolarHBondContact O-CD 3.46Å; P998-I1001 PolarHBondContact O-N 3.08Å; P998-Q1002 VanDerWaalsContact O-CB 3.27Å; P998-Q1002 WeakPolarHBondContact O-CB 3.4Å; P998-Q1002 PolarHBondContact O-N 3.02Å
999	A	83.9	Confident	69	Low	5 Å²	5	78.9 Å²	78.9	4%	0.041	43%	0.43	C	S	.	.	H	α-helix	trans	-65.3	-41.6	179.8	0	0	0	0	0	112.3	K948 L952 V995 L996 R997 Q1002 Y1003	K948-A999 HydrophobicContact CD-CB 4.38Å; K948-A999 HydrophobicContact CG-CB 4.04Å; L952-A999 HydrophobicContact CD1-CB 4.43Å; V995-A999 VanDerWaalsContact O-CB 3.26Å; V995-A999 WeakPolarHBondContact O-CB 3.48Å; V995-A999 PolarHBondContact O-N 3.27Å; L996-A999 PolarHBondContact O-N 2.59Å; R997-A999 PolarHBondContact O-N 3.22Å; A999-Q1002 PolarHBondContact O-N 3.3Å; A999-Y1003 WeakPolarHBondContact O-CB 3.38Å; A999-Y1003 PolarHBondContact O-N 3.31Å
1000	V	86.7	Confident	71.6	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.006	41%	0.41	C	S	.	.	H	α-helix	trans	-66.1	-46	174.7	171.3	0	0	0	0	110.8	L943 L955 V977 T979 L996 Q1002 Y1003 L1004 F1022	L943-V1000 HydrophobicContact CD1-CG2 4.05Å; L955-V1000 HydrophobicContact CD2-CB 4.42Å; L955-V1000 HydrophobicContact CD2-CG1 4.02Å; L955-V1000 HydrophobicContact CD2-CG2 4.01Å; V977-V1000 HydrophobicContact CG1-CG1 4.37Å; T979-V1000 HydrophobicContact CG2-CB 4.05Å; T979-V1000 HydrophobicContact CG2-CG1 4.37Å; T979-V1000 HydrophobicContact CG2-CG2 3.71Å; L996-V1000 WeakPolarHBondContact O-CG2 3.31Å; L996-V1000 PolarHBondContact O-N 2.78Å; V1000-Q1002 PolarHBondContact O-N 2.82Å; V1000-Y1003 PolarHBondContact O-N 3.32Å; V1000-L1004 HydrophobicContact CG1-CD1 3.82Å; V1000-L1004 HydrophobicContact CG1-CG 4.25Å; V1000-L1004 WeakPolarHBondContact O-CB 3.32Å; V1000-L1004 VanDerWaalsContact O-CG 3.27Å; V1000-L1004 WeakPolarHBondContact O-CG 3.43Å; V1000-L1004 PolarHBondContact O-N 3.48Å; V1000-F1022 HydrophobicContact CG1-CD2 4.05Å; V1000-F1022 HydrophobicContact CG1-CE2 4.19Å
1001	I	85.5	Confident	74.2	Confident	43 Å²	43	73.2 Å²	73.2	22%	0.221	39%	0.389	C	S	.	.	H	α-helix	trans	-56.1	-49.6	174.3	-71.5	167.7	0	0	0	111	R997 P998 Y1003 L1004 L1005 F1011 F1022	R997-I1001 HydrophobicContact CG-CD1 4.27Å; R997-I1001 WeakPolarHBondContact O-CG1 3.48Å; R997-I1001 PolarHBondContact O-N 3.16Å; R997-I1001 VanDerWaalsContact O-N 3.12Å; P998-I1001 PolarHBondContact O-N 3.08Å; I1001-Y1003 VanDerWaalsContact C-N 3.34Å; I1001-Y1003 PolarHBondContact O-N 3.45Å; I1001-L1004 PolarHBondContact O-N 3.35Å; I1001-L1005 HydrophobicContact CG2-CD1 3.77Å; I1001-L1005 HydrophobicContact CG2-CG 4.37Å; I1001-L1005 WeakPolarHBondContact O-CB 3.48Å; I1001-L1005 VanDerWaalsContact O-CG 3.3Å; I1001-L1005 WeakPolarHBondContact O-CG 3.46Å; I1001-L1005 PolarHBondContact O-N 3.4Å; I1001-F1011 HydrophobicContact CG1-CE2 4.36Å; I1001-F1011 HydrophobicContact CG1-CZ 4.29Å; I1001-F1011 HydrophobicContact CG2-CZ 4.1Å; I1001-F1022 HydrophobicContact CD1-CE1 3.87Å; I1001-F1022 HydrophobicContact CD1-CZ 3.79Å; I1001-F1022 HydrophobicContact CG1-CE1 3.54Å; I1001-F1022 HydrophobicContact CG1-CZ 3.58Å
1002	Q	85.8	Confident	76.9	Confident	128 Å²	128	72.4 Å²	72.4	60%	0.598	37%	0.371	S	S	*	.	H	α-helix	trans	-61.2	-41.3	179.5	-170.7	-177.8	31.7	0	0	111.8	P998 A999 V1000 R1006	P998-Q1002 VanDerWaalsContact O-CB 3.27Å; P998-Q1002 WeakPolarHBondContact O-CB 3.4Å; P998-Q1002 PolarHBondContact O-N 3.02Å; A999-Q1002 PolarHBondContact O-N 3.3Å; V1000-Q1002 PolarHBondContact O-N 2.82Å; Q1002-R1006 WeakPolarHBondContact O-CB 3.27Å; Q1002-R1006 PolarHBondContact O-N 3.1Å
1003	Y	88.3	Confident	79.2	Confident	32 Å²	32	68.2 Å²	68.2	13%	0.125	35%	0.349	C	S	.	.	H	α-helix	trans	-64.6	-45.6	176.2	178.5	-84.8	0	0	0	112.1	L952 L955 Q956 L959 A999 V1000 I1001 R1006 N1007	L952-Y1003 HydrophobicContact CD2-CD2 4.13Å; L952-Y1003 HydrophobicContact CD2-CG 4Å; L955-Y1003 HydrophobicContact CD2-CD1 3.79Å; L955-Y1003 HydrophobicContact CD2-CE1 4.28Å; L955-Y1003 HydrophobicContact CD2-CG 4.34Å; L955-Y1003 HydrophobicContact CG-CD1 4.3Å; L955-Y1003 HydrophobicContact CG-CE1 4.3Å; Q956-Y1003 WeakPolarHBondContact CA-OH 3.44Å; Q956-Y1003 HydrophobicContact CB-CE2 4.32Å; Q956-Y1003 WeakPolarHBondContact CB-OH 3.48Å; Q956-Y1003 WeakPolarHBondContact CG-OH 3.48Å; L959-Y1003 HydrophobicContact CD1-CD1 4.48Å; L959-Y1003 HydrophobicContact CD1-CE1 3.76Å; A999-Y1003 WeakPolarHBondContact O-CB 3.38Å; A999-Y1003 PolarHBondContact O-N 3.31Å; V1000-Y1003 PolarHBondContact O-N 3.32Å; I1001-Y1003 VanDerWaalsContact C-N 3.34Å; I1001-Y1003 PolarHBondContact O-N 3.45Å; Y1003-R1006 PolarHBondContact O-N 2.97Å; Y1003-N1007 WeakPolarHBondContact CE2-ND2 3.42Å; Y1003-N1007 WeakPolarHBondContact O-CB 3.33Å; Y1003-N1007 PolarHBondContact O-N 3.14Å; Y1003-N1007 VanDerWaalsContact O-N 3.09Å; Y1003-N1007 PolarHBondContact O-ND2 3.4Å
1004	L	88	Confident	80.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64.5	-45.3	-179.7	-69.2	174.5	0	0	0	111.6	L959 V1000 I1001 N1007 G1008 Y1009 F1011 V1024	L959-L1004 HydrophobicContact CD1-CD2 4.05Å; V1000-L1004 HydrophobicContact CG1-CD1 3.82Å; V1000-L1004 HydrophobicContact CG1-CG 4.25Å; V1000-L1004 WeakPolarHBondContact O-CB 3.32Å; V1000-L1004 VanDerWaalsContact O-CG 3.27Å; V1000-L1004 WeakPolarHBondContact O-CG 3.43Å; V1000-L1004 PolarHBondContact O-N 3.48Å; I1001-L1004 PolarHBondContact O-N 3.35Å; L1004-N1007 PolarHBondContact O-N 3.45Å; L1004-G1008 PolarHBondContact O-N 2.81Å; L1004-Y1009 HydrophobicContact CD2-CD2 4.06Å; L1004-Y1009 HydrophobicContact CD2-CG 4.2Å; L1004-Y1009 PolarHBondContact O-N 2.97Å; L1004-F1011 HydrophobicContact CB-CD1 3.71Å; L1004-F1011 HydrophobicContact CB-CE1 3.88Å; L1004-F1011 HydrophobicContact CD1-CB 4.19Å; L1004-F1011 HydrophobicContact CD1-CD1 3.82Å; L1004-F1011 HydrophobicContact CD1-CE1 4.39Å; L1004-F1011 HydrophobicContact CD1-CG 3.97Å; L1004-F1011 HydrophobicContact CG-CD1 4.41Å; L1004-V1024 HydrophobicContact CD1-CG2 3.63Å; L1004-V1024 HydrophobicContact CD2-CB 4.49Å; L1004-V1024 HydrophobicContact CD2-CG1 3.68Å; L1004-V1024 HydrophobicContact CD2-CG2 3.99Å; L1004-V1024 HydrophobicContact CG-CG2 4.49Å
1005	L	86.7	Confident	81.5	Confident	112 Å²	112	70.9 Å²	70.9	59%	0.586	34%	0.343	S	S	*	.	H	α-helix	trans	-61.3	-48.3	174.7	-69.1	173.8	0	0	0	111.8	I1001 N1007 G1008 F1011	I1001-L1005 HydrophobicContact CG2-CD1 3.77Å; I1001-L1005 HydrophobicContact CG2-CG 4.37Å; I1001-L1005 WeakPolarHBondContact O-CB 3.48Å; I1001-L1005 VanDerWaalsContact O-CG 3.3Å; I1001-L1005 WeakPolarHBondContact O-CG 3.46Å; I1001-L1005 PolarHBondContact O-N 3.4Å; L1005-N1007 PolarHBondContact O-N 3.08Å; L1005-G1008 PolarHBondContact O-N 3.19Å; L1005-F1011 HydrophobicContact CD2-CE1 3.92Å; L1005-F1011 HydrophobicContact CD2-CZ 4.37Å; L1005-F1011 HydrophobicContact CG-CE1 4.03Å; L1005-F1011 HydrophobicContact CG-CZ 4.41Å
1006	R	86.1	Confident	80.9	Confident	223 Å²	223	76.7 Å²	76.7	84%	0.842	36%	0.356	S	S	*	.	H	α-helix	trans	-60.8	-31.1	-179.6	-176.9	175.1	180	174.2	1.5	113	Q1002 Y1003	Q1002-R1006 WeakPolarHBondContact O-CB 3.27Å; Q1002-R1006 PolarHBondContact O-N 3.1Å; Y1003-R1006 PolarHBondContact O-N 2.97Å
1007	N	83.4	Confident	79.1	Confident	71 Å²	71	82 Å²	82	38%	0.38	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	6.4	178.3	-70.2	-83.1	0	0	0	113.8	Y1003 L1004 L1005 Y1009	Y1003-N1007 WeakPolarHBondContact CE2-ND2 3.42Å; Y1003-N1007 WeakPolarHBondContact O-CB 3.33Å; Y1003-N1007 PolarHBondContact O-N 3.14Å; Y1003-N1007 VanDerWaalsContact O-N 3.09Å; Y1003-N1007 PolarHBondContact O-ND2 3.4Å; L1004-N1007 PolarHBondContact O-N 3.45Å; L1005-N1007 PolarHBondContact O-N 3.08Å; N1007-Y1009 VanDerWaalsContact C-N 3.32Å; N1007-Y1009 HydrophobicContact CB-CD2 3.63Å; N1007-Y1009 HydrophobicContact CB-CE2 3.57Å; N1007-Y1009 PolarHBondContact O-N 2.98Å
1008	G	81.4	Confident	77.3	Confident	38 Å²	38	79.5 Å²	79.5	39%	0.392	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.7	22.4	176.1	0	0	0	0	0	115	L1004 L1005	L1004-G1008 PolarHBondContact O-N 2.81Å; L1005-G1008 PolarHBondContact O-N 3.19Å
1009	Y	83.6	Confident	75.9	Confident	18 Å²	18	77.9 Å²	77.9	7%	0.071	39%	0.386	C	S	.	.			trans	-78.9	131.5	173.3	-68.8	-75.9	0	0	0	110.6	L959 L1004 N1007 V1024	L959-Y1009 HydrophobicContact CD1-CD2 4.44Å; L959-Y1009 HydrophobicContact CD1-CE2 4.08Å; L959-Y1009 HydrophobicContact CD2-CE1 4.43Å; L1004-Y1009 HydrophobicContact CD2-CD2 4.06Å; L1004-Y1009 HydrophobicContact CD2-CG 4.2Å; L1004-Y1009 PolarHBondContact O-N 2.97Å; N1007-Y1009 VanDerWaalsContact C-N 3.32Å; N1007-Y1009 HydrophobicContact CB-CD2 3.63Å; N1007-Y1009 HydrophobicContact CB-CE2 3.57Å; N1007-Y1009 PolarHBondContact O-N 2.98Å; Y1009-V1024 HydrophobicContact CD1-CG1 4.25Å; Y1009-V1024 HydrophobicContact CG-CG1 4.16Å
1010	K	83.6	Confident	74.8	Confident	119 Å²	119	78.2 Å²	78.2	52%	0.517	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	137.6	165.8	-66.2	-179.3	-178.6	172.8	0	108.7	N1025 N1028	K1010-N1025 HydrophobicContact CB-CB 4.31Å; K1010-N1025 PolarHBondContact O-N 3.05Å; K1010-N1028 HydrophobicContact CD-CB 3.98Å; K1010-N1028 HydrophobicContact CG-CB 4.35Å; K1010-N1028 PolarHBondContact NZ-ND2 2.71Å; K1010-N1028 PolarHBondContact NZ-OD1 3.16Å
1011	F	86.4	Confident	74.3	Confident	54 Å²	54	80.4 Å²	80.4	24%	0.237	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.9	175.2	62.5	-90.3	0	0	0	110.7	I1001 L1004 L1005 F1022 T1023 V1024	I1001-F1011 HydrophobicContact CG1-CE2 4.36Å; I1001-F1011 HydrophobicContact CG1-CZ 4.29Å; I1001-F1011 HydrophobicContact CG2-CZ 4.1Å; L1004-F1011 HydrophobicContact CB-CD1 3.71Å; L1004-F1011 HydrophobicContact CB-CE1 3.88Å; L1004-F1011 HydrophobicContact CD1-CB 4.19Å; L1004-F1011 HydrophobicContact CD1-CD1 3.82Å; L1004-F1011 HydrophobicContact CD1-CE1 4.39Å; L1004-F1011 HydrophobicContact CD1-CG 3.97Å; L1004-F1011 HydrophobicContact CG-CD1 4.41Å; L1005-F1011 HydrophobicContact CD2-CE1 3.92Å; L1005-F1011 HydrophobicContact CD2-CZ 4.37Å; L1005-F1011 HydrophobicContact CG-CE1 4.03Å; L1005-F1011 HydrophobicContact CG-CZ 4.41Å; F1011-F1022 AromaticContact CD2-CD1 3.69Å; F1011-F1022 HydrophobicContact CD2-CD1 3.69Å; F1011-F1022 HydrophobicContact CD2-CE1 4.25Å; F1011-F1022 HydrophobicContact CE2-CD1 4.03Å; F1011-F1022 HydrophobicContact CE2-CE1 4.11Å; F1011-T1023 WeakPolarHBondContact CA-O 3.45Å; F1011-V1024 HydrophobicContact CB-CB 4.29Å; F1011-V1024 HydrophobicContact CB-CG1 4.37Å; F1011-V1024 HydrophobicContact CB-CG2 3.99Å
1012	E	83.6	Confident	74.2	Confident	114 Å²	114	78.4 Å²	78.4	53%	0.533	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	135.4	170	-72	157.8	-147.8	0	0	107.7	F1022 T1023	E1012-F1022 WeakPolarHBondContact O-CA 3.33Å; E1012-T1023 PolarHBondContact N-O 3.11Å; E1012-T1023 PolarHBondContact O-N 3.43Å
1013	E	81.1	Confident	74.2	Confident	48 Å²	48	73.4 Å²	73.4	22%	0.224	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.8	179.2	-175.3	170.1	-149.7	0	0	110.2	R997 F1015 F1022	R997-E1013 IonicContact CZ-OE1 3.17Å; R997-E1013 IonicContact CZ-OE2 2.98Å; R997-E1013 IonicContact NE-OE1 2.91Å; R997-E1013 PolarHBondContact NE-OE1 2.92Å; R997-E1013 IonicContact NE-OE2 3.84Å; R997-E1013 IonicContact NH2-OE1 3.91Å; R997-E1013 PolarHBondContact NH2-OE1 3.1Å; R997-E1013 IonicContact NH2-OE2 2.67Å; R997-E1013 PolarHBondContact NH2-OE2 3.09Å; E1013-F1015 HydrophobicContact CB-CE2 4.48Å; E1013-F1015 HydrophobicContact CB-CZ 4.49Å; E1013-F1015 HydrophobicContact CG-CE1 4.01Å; E1013-F1015 HydrophobicContact CG-CE2 4Å; E1013-F1015 HydrophobicContact CG-CZ 3.68Å; E1013-F1015 VanDerWaalsContact OE2-CZ 3.25Å; E1013-F1015 WeakPolarHBondContact OE2-CZ 3.49Å; E1013-F1022 HydrophobicContact CB-CD1 4Å; E1013-F1022 HydrophobicContact CB-CE1 3.96Å; E1013-F1022 VanDerWaalsContact CD-CE1 3.44Å; E1013-F1022 HydrophobicContact CG-CD1 4.03Å; E1013-F1022 HydrophobicContact CG-CE1 3.7Å; E1013-F1022 HydrophobicContact CG-CZ 4.36Å; E1013-F1022 WeakPolarHBondContact OE1-CE1 3.28Å; E1013-F1022 VanDerWaalsContact OE1-CZ 3.29Å; E1013-F1022 WeakPolarHBondContact OE1-CZ 3.33Å
1014	N	72.3	Confident	74	Confident	66 Å²	66	71.9 Å²	71.9	35%	0.353	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.4	-177.3	-74.2	-36.6	0	0	0	110.4	H1021 T1023	N1014-H1021 WeakPolarHBondContact CB-CE1 3.27Å; N1014-H1021 VanDerWaalsContact CB-NE2 3.34Å; N1014-H1021 WeakPolarHBondContact CB-NE2 3.48Å; N1014-H1021 PolarHBondContact N-O 3.02Å; N1014-H1021 PolarHBondContact O-N 3.2Å; N1014-H1021 PolarHBondContact O-ND1 3.34Å; N1014-T1023 PolarHBondContact ND2-OG1 2.94Å; N1014-T1023 VanDerWaalsContact ND2-OG1 3.16Å
1015	F	63.3	Low	73.8	Confident	135 Å²	135	73.1 Å²	73.1	59%	0.592	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83	123.6	175.6	-58.2	-79.7	0	0	0	111.3	E1013	E1013-F1015 HydrophobicContact CB-CE2 4.48Å; E1013-F1015 HydrophobicContact CB-CZ 4.49Å; E1013-F1015 HydrophobicContact CG-CE1 4.01Å; E1013-F1015 HydrophobicContact CG-CE2 4Å; E1013-F1015 HydrophobicContact CG-CZ 3.68Å; E1013-F1015 VanDerWaalsContact OE2-CZ 3.25Å; E1013-F1015 WeakPolarHBondContact OE2-CZ 3.49Å
1016	R	50.7	Low	73.3	Confident	196 Å²	196	68.1 Å²	68.1	74%	0.74	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	154	151	-70.1	-173.7	175.9	-174.7	-0.6	108.1	G1018 S1019	R1016-G1018 PolarHBondContact O-N 3.07Å; R1016-S1019 PolarHBondContact N-O 3.44Å; R1016-S1019 CarbonylContact O-C 3.57Å; R1016-S1019 PolarHBondContact O-N 3.35Å
1017	V	38	Very low	72.3	Confident	139 Å²	139	62 Å²	62	84%	0.842	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	116.6	-168.2	-176.1	0	0	0	0	111.2	R981 S1019	R981-V1017 PolarHBondContact NH2-O 2.99Å; V1017-S1019 PolarHBondContact O-N 3.42Å
1018	G	43.3	Very low	70.9	Confident	50 Å²	50	61.7 Å²	61.7	52%	0.515	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	-16.2	-178.9	0	0	0	0	0	117	R981 R1016	R981-G1018 WeakPolarHBondContact CA-O 3.32Å; R981-G1018 WeakPolarHBondContact CB-O 3.21Å; R981-G1018 WeakPolarHBondContact CG-O 3.42Å; R1016-G1018 PolarHBondContact O-N 3.07Å
1019	S	52.5	Low	69.4	Low	43 Å²	43	61.2 Å²	61.2	30%	0.301	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	111.8	-176.7	52.7	0	0	0	0	112.5	R1016 V1017	R1016-S1019 PolarHBondContact N-O 3.44Å; R1016-S1019 CarbonylContact O-C 3.57Å; R1016-S1019 PolarHBondContact O-N 3.35Å; V1017-S1019 PolarHBondContact O-N 3.42Å
1020	G	61.1	Low	67.1	Low	12 Å²	12	69.5 Å²	69.5	12%	0.124	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	147.1	170.7	0	0	0	0	0	112.3
1021	H	76.1	Confident	64.9	Low	48 Å²	48	70.9 Å²	70.9	22%	0.222	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.1	165.2	63.6	-78.7	0	0	0	110.3	T976 V977 I978 N1014	T976-H1021 HydrophobicContact CG2-CB 4.27Å; V977-H1021 CarbonylContact O-C 3.54Å; V977-H1021 WeakPolarHBondContact O-CA 3.2Å; I978-H1021 HydrophobicContact CG1-CB 3.93Å; N1014-H1021 WeakPolarHBondContact CB-CE1 3.27Å; N1014-H1021 VanDerWaalsContact CB-NE2 3.34Å; N1014-H1021 WeakPolarHBondContact CB-NE2 3.48Å; N1014-H1021 PolarHBondContact N-O 3.02Å; N1014-H1021 PolarHBondContact O-N 3.2Å; N1014-H1021 PolarHBondContact O-ND1 3.34Å
1022	F	83.7	Confident	62.1	Low	0 Å²	0	81.5 Å²	81.5	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	123.9	177.4	-59.7	-81.4	0	0	0	110	T976 V977 T979 R997 V1000 I1001 F1011 E1012 E1013 V1024	T976-F1022 WeakPolarHBondContact CA-O 3.4Å; V977-F1022 HydrophobicContact CB-CB 4.32Å; V977-F1022 PolarHBondContact N-O 3.32Å; V977-F1022 PolarHBondContact O-N 3.29Å; T979-F1022 HydrophobicContact CG2-CD2 4.17Å; T979-F1022 HydrophobicContact CG2-CE2 3.77Å; R997-F1022 HydrophobicContact CG-CE2 4.24Å; R997-F1022 HydrophobicContact CG-CZ 3.81Å; V1000-F1022 HydrophobicContact CG1-CD2 4.05Å; V1000-F1022 HydrophobicContact CG1-CE2 4.19Å; I1001-F1022 HydrophobicContact CD1-CE1 3.87Å; I1001-F1022 HydrophobicContact CD1-CZ 3.79Å; I1001-F1022 HydrophobicContact CG1-CE1 3.54Å; I1001-F1022 HydrophobicContact CG1-CZ 3.58Å; F1011-F1022 AromaticContact CD2-CD1 3.69Å; F1011-F1022 HydrophobicContact CD2-CD1 3.69Å; F1011-F1022 HydrophobicContact CD2-CE1 4.25Å; F1011-F1022 HydrophobicContact CE2-CD1 4.03Å; F1011-F1022 HydrophobicContact CE2-CE1 4.11Å; E1012-F1022 WeakPolarHBondContact O-CA 3.33Å; E1013-F1022 HydrophobicContact CB-CD1 4Å; E1013-F1022 HydrophobicContact CB-CE1 3.96Å; E1013-F1022 VanDerWaalsContact CD-CE1 3.44Å; E1013-F1022 HydrophobicContact CG-CD1 4.03Å; E1013-F1022 HydrophobicContact CG-CE1 3.7Å; E1013-F1022 HydrophobicContact CG-CZ 4.36Å; E1013-F1022 WeakPolarHBondContact OE1-CE1 3.28Å; E1013-F1022 VanDerWaalsContact OE1-CZ 3.29Å; E1013-F1022 WeakPolarHBondContact OE1-CZ 3.33Å; F1022-V1024 HydrophobicContact CB-CG2 4.04Å
1023	T	84.8	Confident	61	Low	23 Å²	23	79.9 Å²	79.9	14%	0.141	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	95.7	169.9	-58.5	0	0	0	0	107.8	Y974 F1011 E1012 N1014	Y974-T1023 HydrophobicContact CD1-CG2 3.67Å; Y974-T1023 HydrophobicContact CE1-CG2 4.41Å; Y974-T1023 HydrophobicContact CG-CG2 3.93Å; F1011-T1023 WeakPolarHBondContact CA-O 3.45Å; E1012-T1023 PolarHBondContact N-O 3.11Å; E1012-T1023 PolarHBondContact O-N 3.43Å; N1014-T1023 PolarHBondContact ND2-OG1 2.94Å; N1014-T1023 VanDerWaalsContact ND2-OG1 3.16Å
1024	V	84.5	Confident	60	Low	0 Å²	0	81.5 Å²	81.5	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.9	-173.2	-171.9	0	0	0	0	110.2	Y974 I975 V977 L1004 Y1009 F1011 F1022	Y974-V1024 CarbonylContact C-O 3.43Å; Y974-V1024 WeakPolarHBondContact CA-O 3.42Å; I975-V1024 HydrophobicContact CG2-CB 3.68Å; I975-V1024 HydrophobicContact CG2-CG1 4.43Å; I975-V1024 HydrophobicContact CG2-CG2 4.33Å; I975-V1024 PolarHBondContact N-O 3.31Å; I975-V1024 PolarHBondContact O-N 2.87Å; V977-V1024 HydrophobicContact CG2-CG2 4.03Å; L1004-V1024 HydrophobicContact CD1-CG2 3.63Å; L1004-V1024 HydrophobicContact CD2-CB 4.49Å; L1004-V1024 HydrophobicContact CD2-CG1 3.68Å; L1004-V1024 HydrophobicContact CD2-CG2 3.99Å; L1004-V1024 HydrophobicContact CG-CG2 4.49Å; Y1009-V1024 HydrophobicContact CD1-CG1 4.25Å; Y1009-V1024 HydrophobicContact CG-CG1 4.16Å; F1011-V1024 HydrophobicContact CB-CB 4.29Å; F1011-V1024 HydrophobicContact CB-CG1 4.37Å; F1011-V1024 HydrophobicContact CB-CG2 3.99Å; F1022-V1024 HydrophobicContact CB-CG2 4.04Å
1025	N	83.4	Confident	59.3	Low	27 Å²	27	82.4 Å²	82.4	14%	0.144	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	119	-178.2	-173.2	-34.3	0	0	0	111.4	Y974 K1010 N1027	Y974-N1025 HydrophobicContact CD1-CB 3.96Å; Y974-N1025 HydrophobicContact CE1-CB 3.93Å; K1010-N1025 HydrophobicContact CB-CB 4.31Å; K1010-N1025 PolarHBondContact O-N 3.05Å; N1025-N1027 PolarHBondContact OD1-N 3.06Å; N1025-N1027 VanDerWaalsContact OD1-N 3.07Å
1026	L	75.9	Confident	59	Low	6 Å²	6	79.3 Å²	79.3	3%	0.031	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-80.7	-18	-171.7	-62	168.7	0	0	0	113.4	L959 L962 L966 K973 I975 N1028	L959-L1026 HydrophobicContact CD2-CD2 3.74Å; L962-L1026 HydrophobicContact CB-CD1 4.24Å; L962-L1026 HydrophobicContact CB-CD2 4.42Å; L962-L1026 HydrophobicContact CD1-CD1 4.37Å; L966-L1026 HydrophobicContact CD1-CB 3.62Å; L966-L1026 HydrophobicContact CD1-CD1 3.65Å; L966-L1026 HydrophobicContact CD1-CG 4.26Å; L966-L1026 HydrophobicContact CD2-CB 3.82Å; L966-L1026 HydrophobicContact CG-CB 4.41Å; K973-L1026 PolarHBondContact O-N 3.44Å; I975-L1026 HydrophobicContact CG2-CD2 3.94Å; I975-L1026 HydrophobicContact CG2-CG 4.43Å; L1026-N1028 PolarHBondContact O-N 2.91Å
1027	N	66.1	Low	59.5	Low	95 Å²	95	72 Å²	72	51%	0.508	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-84.9	2.4	-168.3	-69.7	-70.4	0	0	0	115.5	N1025	N1025-N1027 PolarHBondContact OD1-N 3.06Å; N1025-N1027 VanDerWaalsContact OD1-N 3.07Å
1028	N	54	Low	61	Low	65 Å²	65	67.5 Å²	67.5	35%	0.348	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-133	15.7	-158.8	-118.4	-56.6	0	0	0	116.7	K1010 L1026 K1030	K1010-N1028 HydrophobicContact CD-CB 3.98Å; K1010-N1028 HydrophobicContact CG-CB 4.35Å; K1010-N1028 PolarHBondContact NZ-ND2 2.71Å; K1010-N1028 PolarHBondContact NZ-OD1 3.16Å; L1026-N1028 PolarHBondContact O-N 2.91Å; N1028-K1030 PolarHBondContact O-N 2.95Å
1029	S	48.4	Very low	62.2	Low	28 Å²	28	68.8 Å²	68.8	20%	0.196	35%	0.345	C	S	.	.			trans	-72.4	87.5	174.6	72.6	0	0	0	0	111.3	K963 L1031	K963-S1029 PolarHBondContact NZ-OG 3.21Å; S1029-L1031 VanDerWaalsContact C-N 3.31Å; S1029-L1031 PolarHBondContact O-N 3.16Å
1030	K	37.1	Very low	63	Low	191 Å²	191	70.8 Å²	70.8	83%	0.83	35%	0.348	S	S	*	.			trans	-69.5	91.4	161.8	-80.7	-167.6	176.4	-174.4	0	108.6	N1028	N1028-K1030 PolarHBondContact O-N 2.95Å
1031	L	36.1	Very low	63.2	Low	149 Å²	149	75.7 Å²	75.7	78%	0.78	37%	0.367	S	S	*	.			trans	-59.3	136.2	161.3	-85.1	149.4	0	0	0	108.7	S1029	S1029-L1031 VanDerWaalsContact C-N 3.31Å; S1029-L1031 PolarHBondContact O-N 3.16Å
1032	K	27.7	Very low	62	Low	276 Å²	276	78.2 Å²	78.2	100%	1.2	38%	0.38	S	S	*	.			trans	-134.1	0	179.1	-149.4	-163	-176.2	-162	0	107.9

Retrieved 1,032 of 1,032 residues in 1733.2 ms (Link to these results)

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