A0A5K4F0M3_SCHMA Loading...

C2 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F0M3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,202 aa.

						>A0A5K4F0M3_SCHMA|A0A5K4F0M3
MSKEQGQDRNIDDIDCNNSTSSDRLSKAKINSTVSKSKKIIVTNKKLTMYFDKMVGTLSNISDIRKKSDEINVSQNEERTGSQSIERQLDETITTKFSISSVTINSNNSSIDCRTEIKSCGDDDNVYHNQIKNEAASNHCQHQHQNNHHQSEINATNEEIPVSPSSLTGQSSSFSHLNTSSPMSYGDELNSIPVTSSIDDLLSLDQYDQDDGILKDFSSQNQYSIDRTTNSSLERWLSQSELLRCNTRVKHFPRDGYFWSVALFIKLGAKLVPTSPKGKTNPYVKIKHNGSVLARSRMIPNSCNPVWDEKFWFRLWSLDMPIELKVYHRDPFKKDSYIGRTQFGLVELDLDKEYEFISKLENDLMKTVNSGEIKFYVTLSEISETFIDNSECKKLKKKMKEEKSRVFATEFSSQLPGTNSSTLIQSDNYSVAENIGVPIVRSGIINSSVTSSQQSNPQSNQSNHDSTEIVDSTEDLQNDDGQPNLSKQGDKSLQNRIEDNWTERNQSLLPQPIWPYNFYEGTSLELYTSKCQGDTNESIDKLYTLNNEIQMESLFQQSRLIVTLVGAKNLKVRTKLKNVVPVSEADSSKTLRGRSTRSHSDHTLNGLDEEKNNLPCPTAFLTVGTKTHQSKVVMHTRNPLWNERFEFRVRPGMRTVLQCEVFDDSHQNTNLLGRFYLDFSKIVLDWTTCFKLNNQDGRGHGEIHILATMTGLSPISNSTIPRTFSSDQLKLETDSIYGDLSKESVSKTTLDQVAEYYAIRNTLRKWSDVGWLHVVVNRASNLPAKDRSGKSNVFCEIRLVNRVVRTFTAQKNANPVWNQAFVFPIEDMYSVLEVYIYEEGKESSELTGCISFPLIQLVNRRQKWYALKDKSLTTLAKGSILLQTIIIFNPLKASIRALYPKEKRLFVEDSKVKLRDFTKKHLPLLQRNIDRLTPYIDHIKKSGQTFHKLYSWERPFVSLISLIIFELAVLFFQPYMIGFFLALFMIIMLIVPRIYSTSSSLFSPTSINFFRFSRSKDSDSEENEDDQDIIDPEIYGDYSDMDDEDEAILKRKKDKKSSLTAKLNKLRSVLGTLQDIAESITSFLERLNYLCRWRYPSLSCLFLVTILIISIILYFIPLRYIIFGYTLKKFTRKMRNQQRPSTTLFFGILNRVPSRMEKIYYRELRPLSTPPAEIKQSNLLLTAKVGGVQFYPVTNGYQSNVE
					

Structure Viewer

Loading PAE data...

(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	30.8	Very low	32.1	Very low	236 Å²	236	165 Å²	165	100%	1.163	84%	0.835	S	S	*	*				0	103.3	0	-61.7	178.9	83.1	0	0	106.2
2	S	31.8	Very low	31.8	Very low	105 Å²	105	163 Å²	163	73%	0.734	83%	0.828	S	S	*	*			cis	-148.3	169.8	8.6	-63.4	0	0	0	0	111.6
3	K	34.9	Very low	31.9	Very low	201 Å²	201	161.3 Å²	161.3	87%	0.874	82%	0.822	S	S	*	*			trans	71.6	150.8	-163.6	-48.3	-175	177.1	-174.2	0	112.3
4	E	37	Very low	31.9	Very low	191 Å²	191	159.9 Å²	159.9	89%	0.893	82%	0.815	S	S	*	*			cis	-117.4	-178.8	7	-70.3	172.4	132.5	0	0	113
5	Q	30.8	Very low	31.7	Very low	204 Å²	204	158.9 Å²	158.9	95%	0.953	81%	0.812	S	S	*	*			trans	-125.8	157.2	-179	-71	177	-85.7	0	0	111.6
6	G	34.8	Very low	31.8	Very low	75 Å²	75	155.7 Å²	155.7	77%	0.773	81%	0.807	S	S	*	*			trans	112.7	146.5	168	0	0	0	0	0	113.9
7	Q	31.9	Very low	31.7	Very low	182 Å²	182	154.1 Å²	154.1	85%	0.85	80%	0.8	S	S	*	*			cis	-158	163.2	-13	-156.7	169.3	1.5	0	0	109.6
8	D	28.1	Very low	31.5	Very low	130 Å²	130	153.5 Å²	153.5	70%	0.695	80%	0.798	S	S	*	*			trans	-77.3	141.9	-165	-42.6	-94.3	0	0	0	116
9	R	31.6	Very low	31.3	Very low	224 Å²	224	151.2 Å²	151.2	85%	0.845	80%	0.797	S	S	*	*				176.4	122.8	115.1	-97.8	165.2	-76.1	-172.1	-3.4	116.4
10	N	29.9	Very low	31.4	Very low	135 Å²	135	148.8 Å²	148.8	72%	0.722	79%	0.788	S	S	*	*				49.3	133.4	124.2	-73.8	23.1	0	0	0	125.3
11	I	31.2	Very low	31.6	Very low	132 Å²	132	146.9 Å²	146.9	68%	0.677	79%	0.787	S	S	*	*			trans	89.4	97.2	132.6	-68.6	168	0	0	0	120
12	D	28.9	Very low	32	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	76%	0.761	S	S	*	*				71.2	166.1	121.1	-48.8	-19.7	0	0	0	125.1
13	D	33.3	Very low	32.4	Very low	141 Å²	141	138.6 Å²	138.6	75%	0.754	75%	0.746	S	S	*	*			trans	77.7	88.8	168.8	-65.2	-16.1	0	0	0	123.7
14	I	31.3	Very low	32.6	Very low	141 Å²	141	139 Å²	139	72%	0.723	74%	0.742	S	S	*	*				63.5	124.3	109.9	-67	169.9	0	0	0	121.8
15	D	29.8	Very low	32.7	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	73%	0.731	S	S	*	*			trans	38.4	122.7	153.1	-60.6	-16.3	0	0	0	121.5
16	C	32.5	Very low	33.1	Very low	108 Å²	108	128.3 Å²	128.3	73%	0.73	70%	0.701	S	S	*	*				-169.2	139.9	77.6	-107.2	0	0	0	0	116.5
17	N	29.8	Very low	33.5	Very low	129 Å²	129	130.6 Å²	130.6	69%	0.69	69%	0.689	S	S	*	*			trans	54.7	117.2	138.9	-71.2	-50	0	0	0	124.5
18	N	28.6	Very low	34	Very low	143 Å²	143	124.7 Å²	124.7	77%	0.765	67%	0.672	S	S	*	*				61.4	100.1	128.3	-60	-28.6	0	0	0	122.4
19	S	28.2	Very low	34.5	Very low	110 Å²	110	125.7 Å²	125.7	77%	0.769	67%	0.67	S	S	*	*				-168.3	168.9	120.3	54.7	0	0	0	0	112.9
20	T	33.6	Very low	35.2	Very low	102 Å²	102	119.8 Å²	119.8	63%	0.626	65%	0.654	S	S	*	*			trans	66.9	85.5	171.4	68.5	0	0	0	0	118.2
21	S	34.5	Very low	35.8	Very low	109 Å²	109	118.6 Å²	118.6	76%	0.762	65%	0.648	S	S	*	*	S	Bend	trans	-79.8	-13.4	172.1	51.9	0	0	0	0	115.1
22	S	39.2	Very low	36.2	Very low	88 Å²	88	115 Å²	115	62%	0.615	63%	0.634	S	S	*	*	H	α-helix	trans	-71.6	-37.3	-176.8	53.5	0	0	0	0	113.6	R24 L25	S22-R24 VanDerWaalsContact C-N 3.32Å; S22-R24 PolarHBondContact O-N 3.5Å; S22-L25 PolarHBondContact O-N 3.31Å
23	D	40.4	Very low	36.7	Very low	79 Å²	79	112.5 Å²	112.5	42%	0.422	62%	0.624	S	S	.	*	H	α-helix	trans	-83.9	-6.7	-166.4	-140.3	22.2	0	0	0	114.2	S26 K27	D23-S26 WeakPolarHBondContact CA-OG 3.31Å; D23-S26 PolarHBondContact O-OG 3.44Å; D23-S26 PolarHBondContact OD1-OG 3.19Å; D23-K27 IonicContact OD2-NZ 2.69Å
24	R	39.5	Very low	37.3	Very low	210 Å²	210	108.7 Å²	108.7	79%	0.792	61%	0.606	S	S	*	*	H	α-helix	trans	-76.3	-32.2	167.4	-67.3	-173.6	177.8	-168.6	-1.2	111.4	S22 A28	S22-R24 VanDerWaalsContact C-N 3.32Å; S22-R24 PolarHBondContact O-N 3.5Å; R24-A28 VanDerWaalsContact O-CB 3.29Å; R24-A28 WeakPolarHBondContact O-CB 3.34Å; R24-A28 PolarHBondContact O-N 3.12Å; R24-A28 VanDerWaalsContact O-N 3.08Å
25	L	38.1	Very low	37.8	Very low	125 Å²	125	105.1 Å²	105.1	65%	0.654	59%	0.594	S	S	*	*	H	α-helix	trans	-72.8	-35.6	177.9	-118.8	79.8	0	0	0	112.9	S22 K29	S22-L25 PolarHBondContact O-N 3.31Å; L25-K29 PolarHBondContact O-N 3.3Å
26	S	39.4	Very low	38.2	Very low	46 Å²	46	102.8 Å²	102.8	32%	0.322	58%	0.577	S	S	.	*	H	α-helix	trans	-64.5	-53.3	176.5	60.3	0	0	0	0	110.6	D23 A28 K29 I30	D23-S26 WeakPolarHBondContact CA-OG 3.31Å; D23-S26 PolarHBondContact O-OG 3.44Å; D23-S26 PolarHBondContact OD1-OG 3.19Å; S26-A28 PolarHBondContact O-N 3.46Å; S26-K29 PolarHBondContact O-N 2.79Å; S26-I30 WeakPolarHBondContact O-CG1 3.24Å; S26-I30 PolarHBondContact O-N 2.97Å; S26-I30 VanDerWaalsContact O-N 3.13Å
27	K	42.9	Very low	38.4	Very low	123 Å²	123	100.2 Å²	100.2	54%	0.535	56%	0.56	S	S	.	*	H	α-helix	trans	-62.7	-37.6	178.7	-71.9	171.4	-179.2	162.4	0	112.6	D23 K29 I30 N31	D23-K27 IonicContact OD2-NZ 2.69Å; K27-K29 PolarHBondContact O-N 3.22Å; K27-I30 PolarHBondContact O-N 3.25Å; K27-N31 WeakPolarHBondContact O-CB 3.44Å; K27-N31 PolarHBondContact O-N 3.22Å
28	A	44	Very low	39	Very low	58 Å²	58	100.7 Å²	100.7	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-61.5	-42.7	174.3	0	0	0	0	0	113.1	R24 S26 N31 S32	R24-A28 VanDerWaalsContact O-CB 3.29Å; R24-A28 WeakPolarHBondContact O-CB 3.34Å; R24-A28 PolarHBondContact O-N 3.12Å; R24-A28 VanDerWaalsContact O-N 3.08Å; S26-A28 PolarHBondContact O-N 3.46Å; A28-N31 PolarHBondContact O-N 2.86Å; A28-S32 WeakPolarHBondContact O-CB 3.44Å; A28-S32 PolarHBondContact O-N 3.11Å; A28-S32 PolarHBondContact O-OG 3.34Å
29	K	38.9	Very low	39.6	Very low	151 Å²	151	100.5 Å²	100.5	66%	0.657	55%	0.548	S	S	*	.	H	α-helix	trans	-67.8	-33.5	176.4	-100.5	169.7	177.7	160.7	0	113.4	L25 S26 K27 S32 T33	L25-K29 PolarHBondContact O-N 3.3Å; S26-K29 PolarHBondContact O-N 2.79Å; K27-K29 PolarHBondContact O-N 3.22Å; K29-S32 PolarHBondContact O-OG 3.27Å; K29-T33 WeakPolarHBondContact O-CG2 3.38Å; K29-T33 PolarHBondContact O-N 2.93Å; K29-T33 PolarHBondContact O-OG1 2.88Å
30	I	45.4	Very low	40.1	Very low	100 Å²	100	100.1 Å²	100.1	51%	0.513	54%	0.536	S	S	.	.	H	α-helix	trans	-71.3	-46.6	175.4	-66	166.1	0	0	0	110	S26 K27 S32 T33 V34	S26-I30 WeakPolarHBondContact O-CG1 3.24Å; S26-I30 PolarHBondContact O-N 2.97Å; S26-I30 VanDerWaalsContact O-N 3.13Å; K27-I30 PolarHBondContact O-N 3.25Å; I30-S32 PolarHBondContact O-N 2.72Å; I30-T33 PolarHBondContact O-N 3.24Å; I30-T33 PolarHBondContact O-OG1 3.36Å; I30-V34 HydrophobicContact CG2-CG2 4.4Å; I30-V34 WeakPolarHBondContact O-CG2 3.45Å; I30-V34 PolarHBondContact O-N 3.43Å
31	N	41.5	Very low	40.4	Very low	109 Å²	109	99.8 Å²	99.8	58%	0.583	53%	0.53	S	S	*	.	H	α-helix	trans	-65.1	-38.3	-179.9	-73.4	-11.7	0	0	0	112.8	K27 A28 S35	K27-N31 WeakPolarHBondContact O-CB 3.44Å; K27-N31 PolarHBondContact O-N 3.22Å; A28-N31 PolarHBondContact O-N 2.86Å; N31-S35 WeakPolarHBondContact O-CB 3.26Å; N31-S35 PolarHBondContact O-N 2.95Å
32	S	41.5	Very low	41.1	Very low	57 Å²	57	98.7 Å²	98.7	40%	0.399	52%	0.518	S	S	.	.	H	α-helix	trans	-67.6	-36.9	176	68.9	0	0	0	0	112.6	A28 K29 I30 S35 K36	A28-S32 WeakPolarHBondContact O-CB 3.44Å; A28-S32 PolarHBondContact O-N 3.11Å; A28-S32 PolarHBondContact O-OG 3.34Å; K29-S32 PolarHBondContact O-OG 3.27Å; I30-S32 PolarHBondContact O-N 2.72Å; S32-S35 PolarHBondContact O-N 2.81Å; S32-K36 WeakPolarHBondContact O-CG 3.46Å; S32-K36 PolarHBondContact O-N 3.02Å
33	T	38.5	Very low	41.2	Very low	88 Å²	88	98.6 Å²	98.6	54%	0.54	51%	0.514	S	S	.	.	H	α-helix	trans	-73.4	-35.5	176.6	49	0	0	0	0	113	K29 I30 K36 S37	K29-T33 WeakPolarHBondContact O-CG2 3.38Å; K29-T33 PolarHBondContact O-N 2.93Å; K29-T33 PolarHBondContact O-OG1 2.88Å; I30-T33 PolarHBondContact O-N 3.24Å; I30-T33 PolarHBondContact O-OG1 3.36Å; T33-K36 PolarHBondContact O-N 3.47Å; T33-S37 WeakPolarHBondContact O-CB 3.48Å; T33-S37 PolarHBondContact O-N 3.1Å; T33-S37 PolarHBondContact O-OG 3.11Å
34	V	45.9	Very low	41.2	Very low	62 Å²	62	99.3 Å²	99.3	38%	0.376	52%	0.518	S	S	.	.	H	α-helix	trans	-67.1	-34.5	170.5	172.7	0	0	0	0	111.9	I30 S37 K38	I30-V34 HydrophobicContact CG2-CG2 4.4Å; I30-V34 WeakPolarHBondContact O-CG2 3.45Å; I30-V34 PolarHBondContact O-N 3.43Å; V34-S37 PolarHBondContact O-OG 3.07Å; V34-S37 VanDerWaalsContact O-OG 3.05Å; V34-K38 HydrophobicContact CG1-CD 4.38Å; V34-K38 WeakPolarHBondContact O-CB 3.33Å; V34-K38 WeakPolarHBondContact O-CG 3.39Å; V34-K38 PolarHBondContact O-N 3.17Å; V34-K38 VanDerWaalsContact O-N 3.08Å
35	S	41.3	Very low	41.7	Very low	66 Å²	66	96.6 Å²	96.6	46%	0.462	51%	0.512	S	S	.	.	H	α-helix	trans	-68.2	-47.3	173	-174.4	0	0	0	0	112	N31 S32 S37 K38 K39	N31-S35 WeakPolarHBondContact O-CB 3.26Å; N31-S35 PolarHBondContact O-N 2.95Å; S32-S35 PolarHBondContact O-N 2.81Å; S35-S37 VanDerWaalsContact C-N 3.34Å; S35-S37 PolarHBondContact O-N 3.25Å; S35-K38 PolarHBondContact O-N 2.81Å; S35-K39 PolarHBondContact O-N 2.98Å
36	K	38.9	Very low	42.3	Very low	96 Å²	96	96.7 Å²	96.7	42%	0.417	51%	0.507	S	S	.	.	H	α-helix	trans	-62	-37.2	176.1	-72.3	-164.7	-177.4	-162.3	0	111.9	S32 T33 I40 D1045	S32-K36 WeakPolarHBondContact O-CG 3.46Å; S32-K36 PolarHBondContact O-N 3.02Å; T33-K36 PolarHBondContact O-N 3.47Å; K36-I40 WeakPolarHBondContact O-CG1 3.48Å; K36-I40 PolarHBondContact O-N 2.68Å; K36-D1045 IonicContact NZ-OD1 2.77Å; K36-D1045 PolarHBondContact NZ-OD1 2.81Å; K36-D1045 IonicContact NZ-OD2 2.68Å; K36-D1045 PolarHBondContact NZ-OD2 3.08Å
37	S	36.3	Very low	42.5	Very low	54 Å²	54	96.4 Å²	96.4	38%	0.378	50%	0.501	S	S	.	.	H	α-helix	trans	-69.4	-42.6	175.8	70.9	0	0	0	0	112.9	T33 V34 S35 K39 I40 I41	T33-S37 WeakPolarHBondContact O-CB 3.48Å; T33-S37 PolarHBondContact O-N 3.1Å; T33-S37 PolarHBondContact O-OG 3.11Å; V34-S37 PolarHBondContact O-OG 3.07Å; V34-S37 VanDerWaalsContact O-OG 3.05Å; S35-S37 VanDerWaalsContact C-N 3.34Å; S35-S37 PolarHBondContact O-N 3.25Å; S37-K39 PolarHBondContact O-N 2.94Å; S37-I40 PolarHBondContact O-N 3.07Å; S37-I41 WeakPolarHBondContact O-CG1 3.33Å; S37-I41 PolarHBondContact O-N 3.3Å
38	K	41.9	Very low	42.8	Very low	138 Å²	138	94.1 Å²	94.1	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-58.5	-44.1	173.8	-77.1	178.4	179.3	-178.4	0	112.1	V34 S35 I40 I41 V42	V34-K38 HydrophobicContact CG1-CD 4.38Å; V34-K38 WeakPolarHBondContact O-CB 3.33Å; V34-K38 WeakPolarHBondContact O-CG 3.39Å; V34-K38 PolarHBondContact O-N 3.17Å; V34-K38 VanDerWaalsContact O-N 3.08Å; S35-K38 PolarHBondContact O-N 2.81Å; K38-I40 PolarHBondContact O-N 3.25Å; K38-I41 PolarHBondContact O-N 2.6Å; K38-V42 WeakPolarHBondContact O-CG2 3.24Å; K38-V42 PolarHBondContact O-N 2.91Å
39	K	41.2	Very low	43.4	Very low	139 Å²	139	98 Å²	98	60%	0.604	51%	0.508	S	S	*	.	H	α-helix	trans	-58.4	-44.2	175.8	-83.4	-170.2	173.7	-176.2	0	112.4	S35 S37 V42 T43	S35-K39 PolarHBondContact O-N 2.98Å; S37-K39 PolarHBondContact O-N 2.94Å; K39-V42 PolarHBondContact O-N 2.61Å; K39-T43 PolarHBondContact O-N 2.88Å; K39-T43 PolarHBondContact O-OG1 2.89Å
40	I	38.7	Very low	43.9	Very low	103 Å²	103	94.7 Å²	94.7	53%	0.528	49%	0.492	S	S	.	.	H	α-helix	trans	-64.1	-41.5	178.6	-66.9	167.3	0	0	0	111.7	K36 S37 K38 T43 N44	K36-I40 WeakPolarHBondContact O-CG1 3.48Å; K36-I40 PolarHBondContact O-N 2.68Å; S37-I40 PolarHBondContact O-N 3.07Å; K38-I40 PolarHBondContact O-N 3.25Å; I40-T43 WeakPolarHBondContact CA-OG1 3.17Å; I40-T43 PolarHBondContact O-N 3.03Å; I40-T43 PolarHBondContact O-OG1 3.16Å; I40-N44 PolarHBondContact O-N 3.39Å
41	I	41.3	Very low	44	Very low	95 Å²	95	93 Å²	93	49%	0.487	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-41.2	177.4	-67.3	164.9	0	0	0	111	S37 K38 N44 K45	S37-I41 WeakPolarHBondContact O-CG1 3.33Å; S37-I41 PolarHBondContact O-N 3.3Å; K38-I41 PolarHBondContact O-N 2.6Å; I41-N44 PolarHBondContact O-N 3.09Å; I41-K45 PolarHBondContact O-N 3.48Å
42	V	48.1	Very low	44.5	Very low	85 Å²	85	92.9 Å²	92.9	52%	0.515	48%	0.48	S	S	.	.	H	α-helix	trans	-65.3	-42.6	176.8	171.2	0	0	0	0	111.7	K38 K39 N44 K45 K46	K38-V42 WeakPolarHBondContact O-CG2 3.24Å; K38-V42 PolarHBondContact O-N 2.91Å; K39-V42 PolarHBondContact O-N 2.61Å; V42-N44 VanDerWaalsContact C-N 3.34Å; V42-N44 PolarHBondContact O-N 3.03Å; V42-K45 PolarHBondContact O-N 3.15Å; V42-K46 PolarHBondContact O-N 2.96Å
43	T	40.6	Very low	45.1	Very low	86 Å²	86	94.7 Å²	94.7	53%	0.528	48%	0.481	S	S	.	.	H	α-helix	trans	-63.8	-39	175.1	44.2	0	0	0	0	112.4	K39 I40 K46 L47	K39-T43 PolarHBondContact O-N 2.88Å; K39-T43 PolarHBondContact O-OG1 2.89Å; I40-T43 WeakPolarHBondContact CA-OG1 3.17Å; I40-T43 PolarHBondContact O-N 3.03Å; I40-T43 PolarHBondContact O-OG1 3.16Å; T43-K46 PolarHBondContact O-N 2.95Å; T43-L47 WeakPolarHBondContact O-CB 3.21Å; T43-L47 PolarHBondContact O-N 2.88Å
44	N	42.1	Very low	45.4	Very low	94 Å²	94	91.3 Å²	91.3	50%	0.503	46%	0.459	S	S	.	.	H	α-helix	trans	-67	-42.7	176.1	-74	-12.9	0	0	0	111.9	I40 I41 V42 K46 L47 T48	I40-N44 PolarHBondContact O-N 3.39Å; I41-N44 PolarHBondContact O-N 3.09Å; V42-N44 VanDerWaalsContact C-N 3.34Å; V42-N44 PolarHBondContact O-N 3.03Å; N44-K46 PolarHBondContact O-N 2.8Å; N44-L47 PolarHBondContact O-N 3.03Å; N44-L47 VanDerWaalsContact O-N 3.14Å; N44-T48 PolarHBondContact O-N 3.25Å; N44-T48 PolarHBondContact O-OG1 3.19Å
45	K	50	Low	45.7	Very low	154 Å²	154	92.3 Å²	92.3	67%	0.67	47%	0.465	S	S	*	.	H	α-helix	trans	-62.1	-38.2	175.6	-84.3	-164.5	169.7	-167.3	0	113.1	I41 V42 T48 M49	I41-K45 PolarHBondContact O-N 3.48Å; V42-K45 PolarHBondContact O-N 3.15Å; K45-T48 PolarHBondContact O-OG1 3.37Å; K45-T48 VanDerWaalsContact O-OG1 3.04Å; K45-M49 WeakPolarHBondContact O-CB 3.49Å; K45-M49 PolarHBondContact O-N 2.71Å; K45-M49 VanDerWaalsContact O-N 3.07Å
46	K	49	Very low	46.3	Very low	127 Å²	127	90.3 Å²	90.3	55%	0.552	46%	0.455	S	S	*	.	H	α-helix	trans	-64.4	-45.2	171.2	-75.6	-167.5	174.2	-170.1	0	110.8	V42 T43 N44 T48 M49 Y50	V42-K46 PolarHBondContact O-N 2.96Å; T43-K46 PolarHBondContact O-N 2.95Å; N44-K46 PolarHBondContact O-N 2.8Å; K46-T48 PolarHBondContact O-N 3.22Å; K46-M49 PolarHBondContact O-N 2.9Å; K46-Y50 HydrophobicContact CB-CE2 4.29Å; K46-Y50 WeakPolarHBondContact O-CD2 3.45Å; K46-Y50 PolarHBondContact O-N 2.79Å
47	L	45.1	Very low	46.8	Very low	39 Å²	39	87.4 Å²	87.4	20%	0.204	45%	0.445	C	S	.	.	H	α-helix	trans	-62.1	-41	-179.7	-155.8	81.4	0	0	0	112.7	T43 N44 F51 T918 L922	T43-L47 WeakPolarHBondContact O-CB 3.21Å; T43-L47 PolarHBondContact O-N 2.88Å; N44-L47 PolarHBondContact O-N 3.03Å; N44-L47 VanDerWaalsContact O-N 3.14Å; L47-F51 PolarHBondContact O-N 3.43Å; L47-T918 HydrophobicContact CD1-CG2 4.42Å; L47-L922 HydrophobicContact CD1-CD1 4.17Å; L47-L922 HydrophobicContact CD1-CD2 4.09Å
48	T	49.4	Very low	46.9	Very low	76 Å²	76	89.1 Å²	89.1	47%	0.466	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-45.8	173.6	54	0	0	0	0	111	N44 K45 K46 Y50 F51 D52	N44-T48 PolarHBondContact O-N 3.25Å; N44-T48 PolarHBondContact O-OG1 3.19Å; K45-T48 PolarHBondContact O-OG1 3.37Å; K45-T48 VanDerWaalsContact O-OG1 3.04Å; K46-T48 PolarHBondContact O-N 3.22Å; T48-Y50 VanDerWaalsContact C-N 3.28Å; T48-Y50 PolarHBondContact O-N 3.3Å; T48-F51 CarbonylContact O-C 3.5Å; T48-F51 WeakPolarHBondContact O-CA 3.48Å; T48-F51 WeakPolarHBondContact O-CB 3.14Å; T48-F51 PolarHBondContact O-N 2.98Å; T48-D52 PolarHBondContact O-N 3.49Å; T48-D52 VanDerWaalsContact O-OD2 3.09Å
49	M	55.8	Low	47	Very low	138 Å²	138	84.1 Å²	84.1	68%	0.68	43%	0.433	S	S	*	.	H	α-helix	trans	-58.6	-36.1	178.1	-173	-179.3	-178	0	0	113.3	K45 K46 K53	K45-M49 WeakPolarHBondContact O-CB 3.49Å; K45-M49 PolarHBondContact O-N 2.71Å; K45-M49 VanDerWaalsContact O-N 3.07Å; K46-M49 PolarHBondContact O-N 2.9Å; M49-K53 WeakPolarHBondContact O-CB 3.16Å; M49-K53 PolarHBondContact O-N 3.45Å
50	Y	49.3	Very low	47.2	Very low	83 Å²	83	81.7 Å²	81.7	33%	0.325	43%	0.426	S	S	.	.	H	α-helix	trans	-72.2	-36.7	172.1	-69.9	-62.7	0	0	0	112.8	K46 T48 K53 M54 L922 Q926	K46-Y50 HydrophobicContact CB-CE2 4.29Å; K46-Y50 WeakPolarHBondContact O-CD2 3.45Å; K46-Y50 PolarHBondContact O-N 2.79Å; T48-Y50 VanDerWaalsContact C-N 3.28Å; T48-Y50 PolarHBondContact O-N 3.3Å; Y50-K53 PolarHBondContact O-N 3.12Å; Y50-M54 WeakPolarHBondContact O-CB 3.05Å; Y50-M54 PolarHBondContact O-N 3.21Å; Y50-L922 HydrophobicContact CD2-CD1 3.82Å; Y50-L922 HydrophobicContact CD2-CD2 3.77Å; Y50-L922 HydrophobicContact CD2-CG 4.02Å; Y50-L922 HydrophobicContact CE2-CD2 3.88Å; Y50-L922 HydrophobicContact CE2-CG 4.24Å; Y50-L922 HydrophobicContact CG-CD1 4.05Å; Y50-Q926 HydrophobicContact CE1-CG 4.16Å
51	F	47.4	Very low	47.1	Very low	63 Å²	63	81.8 Å²	81.8	28%	0.276	43%	0.427	S	S	.	.	H	α-helix	trans	-62	-43.5	170.5	-109.5	-84.2	0	0	0	111.4	L47 T48 M54 V55 V1069 L1070 L1073	L47-F51 PolarHBondContact O-N 3.43Å; T48-F51 CarbonylContact O-C 3.5Å; T48-F51 WeakPolarHBondContact O-CA 3.48Å; T48-F51 WeakPolarHBondContact O-CB 3.14Å; T48-F51 PolarHBondContact O-N 2.98Å; F51-M54 PolarHBondContact O-N 2.59Å; F51-V55 HydrophobicContact CD1-CG2 4.41Å; F51-V55 VanDerWaalsContact O-CB 3.24Å; F51-V55 WeakPolarHBondContact O-CB 3.22Å; F51-V55 VanDerWaalsContact O-CG2 3.23Å; F51-V55 WeakPolarHBondContact O-CG2 3.15Å; F51-V55 PolarHBondContact O-N 2.75Å; F51-V1069 HydrophobicContact CZ-CG1 4.37Å; F51-L1070 HydrophobicContact CE2-CD1 4.41Å; F51-L1073 HydrophobicContact CE1-CD1 4.11Å; F51-L1073 HydrophobicContact CZ-CD1 3.98Å
52	D	52.3	Low	46.9	Very low	107 Å²	107	80.1 Å²	80.1	57%	0.572	42%	0.423	S	S	*	.	H	α-helix	trans	-67.8	-36	178.3	-58.8	-35.2	0	0	0	111.2	T48 G56	T48-D52 PolarHBondContact O-N 3.49Å; T48-D52 VanDerWaalsContact O-OD2 3.09Å; D52-G56 WeakPolarHBondContact O-CA 3.21Å; D52-G56 PolarHBondContact O-N 2.84Å
53	K	55.2	Low	46.5	Very low	95 Å²	95	78.7 Å²	78.7	41%	0.413	41%	0.413	S	S	.	.	H	α-helix	trans	-65.5	-41.8	171.8	-171.1	179.3	176.2	-174.1	0	111.7	M49 Y50 G56 T57 D930	M49-K53 WeakPolarHBondContact O-CB 3.16Å; M49-K53 PolarHBondContact O-N 3.45Å; Y50-K53 PolarHBondContact O-N 3.12Å; K53-G56 PolarHBondContact O-N 3.09Å; K53-T57 PolarHBondContact O-N 3.14Å; K53-T57 PolarHBondContact O-OG1 2.96Å; K53-D930 IonicContact NZ-OD1 3.7Å
54	M	44.8	Very low	46.3	Very low	18 Å²	18	79.7 Å²	79.7	9%	0.089	41%	0.414	C	S	.	.	H	α-helix	trans	-75.4	-38.4	178.8	-168	178.3	-166.6	0	0	112.7	Y50 F51 G56 T57 L58 L925 I929 L1073	Y50-M54 WeakPolarHBondContact O-CB 3.05Å; Y50-M54 PolarHBondContact O-N 3.21Å; F51-M54 PolarHBondContact O-N 2.59Å; M54-G56 VanDerWaalsContact C-N 3.29Å; M54-T57 PolarHBondContact O-N 2.82Å; M54-T57 PolarHBondContact O-OG1 2.99Å; M54-T57 VanDerWaalsContact O-OG1 3.11Å; M54-L58 HydrophobicContact CE-CD1 4.38Å; M54-L58 HydrophobicContact CG-CD1 4.1Å; M54-L58 WeakPolarHBondContact O-CB 3.3Å; M54-L58 VanDerWaalsContact O-CG 3.26Å; M54-L58 WeakPolarHBondContact O-CG 3.36Å; M54-L58 PolarHBondContact O-N 2.83Å; M54-L925 HydrophobicContact CE-CD1 3.89Å; M54-L925 HydrophobicContact SD-CD1 4.01Å; M54-L925 HydrophobicContact SD-CD2 4.07Å; M54-L925 HydrophobicContact SD-CG 4.46Å; M54-I929 HydrophobicContact CB-CD1 4.07Å; M54-I929 HydrophobicContact CG-CD1 3.98Å; M54-I929 HydrophobicContact SD-CD1 4.33Å; M54-L1073 HydrophobicContact CE-CB 4.03Å; M54-L1073 HydrophobicContact CE-CD2 3.99Å; M54-L1073 HydrophobicContact CE-CG 4.5Å; M54-L1073 HydrophobicContact SD-CB 4.22Å; M54-L1073 HydrophobicContact SD-CD1 4.22Å; M54-L1073 HydrophobicContact SD-CD2 4.31Å; M54-L1073 HydrophobicContact SD-CG 4.49Å
55	V	51.7	Low	45.8	Very low	82 Å²	82	84.1 Å²	84.1	50%	0.497	42%	0.424	S	S	.	.	H	α-helix	trans	-66.4	-35.3	171.4	169.8	0	0	0	0	109.5	F51 S59	F51-V55 HydrophobicContact CD1-CG2 4.41Å; F51-V55 VanDerWaalsContact O-CB 3.24Å; F51-V55 WeakPolarHBondContact O-CB 3.22Å; F51-V55 VanDerWaalsContact O-CG2 3.23Å; F51-V55 WeakPolarHBondContact O-CG2 3.15Å; F51-V55 PolarHBondContact O-N 2.75Å; V55-S59 WeakPolarHBondContact O-CA 3.2Å; V55-S59 WeakPolarHBondContact O-CB 3.33Å; V55-S59 PolarHBondContact O-N 3.12Å
56	G	53	Low	45.2	Very low	25 Å²	25	83.1 Å²	83.1	26%	0.258	42%	0.419	S	S	.	.	H	α-helix	trans	-65.8	-44.5	172.5	0	0	0	0	0	113.4	D52 K53 M54 L58 S59 N60	D52-G56 WeakPolarHBondContact O-CA 3.21Å; D52-G56 PolarHBondContact O-N 2.84Å; K53-G56 PolarHBondContact O-N 3.09Å; M54-G56 VanDerWaalsContact C-N 3.29Å; G56-L58 VanDerWaalsContact C-N 3.35Å; G56-S59 PolarHBondContact O-N 2.93Å; G56-N60 PolarHBondContact O-N 2.82Å; G56-N60 PolarHBondContact O-ND2 2.95Å
57	T	50.1	Low	44.7	Very low	34 Å²	34	82.9 Å²	82.9	21%	0.209	42%	0.418	C	S	.	.	H	α-helix	trans	-68.8	-33	176.3	52.4	0	0	0	0	112.7	K53 M54 I936	K53-T57 PolarHBondContact O-N 3.14Å; K53-T57 PolarHBondContact O-OG1 2.96Å; M54-T57 PolarHBondContact O-N 2.82Å; M54-T57 PolarHBondContact O-OG1 2.99Å; M54-T57 VanDerWaalsContact O-OG1 3.11Å; T57-I936 HydrophobicContact CG2-CD1 4.28Å
58	L	38.6	Very low	44.1	Very low	90 Å²	90	84 Å²	84	47%	0.471	43%	0.429	S	S	.	.	H	α-helix	trans	-78	-32.8	173.2	-68	171.2	0	0	0	112.9	M54 G56 I61 S62	M54-L58 HydrophobicContact CE-CD1 4.38Å; M54-L58 HydrophobicContact CG-CD1 4.1Å; M54-L58 WeakPolarHBondContact O-CB 3.3Å; M54-L58 VanDerWaalsContact O-CG 3.26Å; M54-L58 WeakPolarHBondContact O-CG 3.36Å; M54-L58 PolarHBondContact O-N 2.83Å; G56-L58 VanDerWaalsContact C-N 3.35Å; L58-I61 WeakPolarHBondContact O-CB 3.37Å; L58-I61 PolarHBondContact O-N 3.42Å; L58-I61 VanDerWaalsContact O-N 3.08Å; L58-S62 PolarHBondContact O-N 2.85Å; L58-S62 VanDerWaalsContact O-N 3.17Å
59	S	43.3	Very low	43.3	Very low	34 Å²	34	85.1 Å²	85.1	24%	0.238	43%	0.432	C	S	.	.	H	α-helix	trans	-69.1	-39	176.9	93.8	0	0	0	0	109.9	V55 G56 I61 S62 D63	V55-S59 WeakPolarHBondContact O-CA 3.2Å; V55-S59 WeakPolarHBondContact O-CB 3.33Å; V55-S59 PolarHBondContact O-N 3.12Å; G56-S59 PolarHBondContact O-N 2.93Å; S59-I61 PolarHBondContact O-N 2.86Å; S59-S62 WeakPolarHBondContact CA-OG 3.36Å; S59-S62 CarbonylContact O-C 3.6Å; S59-S62 WeakPolarHBondContact O-CA 3.46Å; S59-S62 PolarHBondContact O-N 2.84Å; S59-S62 PolarHBondContact O-OG 2.91Å; S59-S62 VanDerWaalsContact O-OG 3.13Å; S59-D63 WeakPolarHBondContact CB-OD2 2.99Å; S59-D63 VanDerWaalsContact O-CB 3.23Å; S59-D63 WeakPolarHBondContact O-CB 3.31Å; S59-D63 PolarHBondContact O-N 2.81Å; S59-D63 PolarHBondContact OG-OD2 2.85Å
60	N	45.5	Very low	42.2	Very low	88 Å²	88	84.7 Å²	84.7	47%	0.471	43%	0.428	S	S	.	.	H	α-helix	trans	-56.1	-17.6	171.8	-83.5	-93.2	0	0	0	113.3	G56 I64	G56-N60 PolarHBondContact O-N 2.82Å; G56-N60 PolarHBondContact O-ND2 2.95Å; N60-I64 WeakPolarHBondContact O-CD1 3.29Å; N60-I64 WeakPolarHBondContact O-CG1 3.48Å
61	I	37.4	Very low	41.5	Very low	104 Å²	104	85.1 Å²	85.1	53%	0.533	44%	0.435	S	S	.	.	H	α-helix	trans	-90.6	-32.7	171.6	-57.3	172.7	0	0	0	111.8	L58 S59	L58-I61 WeakPolarHBondContact O-CB 3.37Å; L58-I61 PolarHBondContact O-N 3.42Å; L58-I61 VanDerWaalsContact O-N 3.08Å; S59-I61 PolarHBondContact O-N 2.86Å
62	S	36.1	Very low	40.6	Very low	60 Å²	60	88.9 Å²	88.9	42%	0.42	46%	0.459	S	S	.	.	H	α-helix	trans	-83.1	-22.2	173.1	66.3	0	0	0	0	114.9	L58 S59 I64 R65 K66	L58-S62 PolarHBondContact O-N 2.85Å; L58-S62 VanDerWaalsContact O-N 3.17Å; S59-S62 WeakPolarHBondContact CA-OG 3.36Å; S59-S62 CarbonylContact O-C 3.6Å; S59-S62 WeakPolarHBondContact O-CA 3.46Å; S59-S62 PolarHBondContact O-N 2.84Å; S59-S62 PolarHBondContact O-OG 2.91Å; S59-S62 VanDerWaalsContact O-OG 3.13Å; S62-I64 VanDerWaalsContact C-N 3.33Å; S62-R65 CarbonylContact O-C 3.58Å; S62-R65 VanDerWaalsContact O-CA 3.32Å; S62-R65 WeakPolarHBondContact O-CA 3.46Å; S62-R65 WeakPolarHBondContact O-CB 3.2Å; S62-R65 PolarHBondContact O-N 2.85Å; S62-K66 PolarHBondContact O-N 3.12Å
63	D	39.3	Very low	39.4	Very low	56 Å²	56	89.5 Å²	89.5	30%	0.299	47%	0.466	S	S	.	.	H	α-helix	trans	-82.1	-21.3	-175.5	-61.6	-27.3	0	0	0	110.3	S59 R65 K66 K67	S59-D63 WeakPolarHBondContact CB-OD2 2.99Å; S59-D63 VanDerWaalsContact O-CB 3.23Å; S59-D63 WeakPolarHBondContact O-CB 3.31Å; S59-D63 PolarHBondContact O-N 2.81Å; S59-D63 PolarHBondContact OG-OD2 2.85Å; D63-R65 PolarHBondContact O-N 3.35Å; D63-K66 PolarHBondContact O-N 2.92Å; D63-K67 WeakPolarHBondContact O-CB 3.07Å; D63-K67 WeakPolarHBondContact O-CG 3.35Å; D63-K67 PolarHBondContact O-N 3.34Å
64	I	37.7	Very low	38	Very low	106 Å²	106	90.4 Å²	90.4	54%	0.544	48%	0.484	S	S	.	.	H	α-helix	trans	-58.7	-30.9	159	-66.4	169.1	0	0	0	110.9	N60 S62 S68	N60-I64 WeakPolarHBondContact O-CD1 3.29Å; N60-I64 WeakPolarHBondContact O-CG1 3.48Å; S62-I64 VanDerWaalsContact C-N 3.33Å; I64-S68 PolarHBondContact O-N 3.48Å
65	R	31.2	Very low	37.2	Very low	188 Å²	188	97.6 Å²	97.6	71%	0.709	52%	0.518	S	S	*	.	H	α-helix	trans	-85.3	-36.1	176	-158.9	179.1	-169.1	159	5.9	112.5	S62 D63 K67 S68 D69	S62-R65 CarbonylContact O-C 3.58Å; S62-R65 VanDerWaalsContact O-CA 3.32Å; S62-R65 WeakPolarHBondContact O-CA 3.46Å; S62-R65 WeakPolarHBondContact O-CB 3.2Å; S62-R65 PolarHBondContact O-N 2.85Å; D63-R65 PolarHBondContact O-N 3.35Å; R65-K67 VanDerWaalsContact C-N 3.25Å; R65-K67 PolarHBondContact O-N 3.47Å; R65-S68 PolarHBondContact O-N 2.67Å; R65-S68 VanDerWaalsContact O-N 3.15Å; R65-S68 PolarHBondContact O-OG 3.44Å; R65-D69 PolarHBondContact O-N 2.82Å
66	K	37.4	Very low	36.1	Very low	132 Å²	132	101.1 Å²	101.1	57%	0.574	53%	0.533	S	S	*	.	H	α-helix	trans	-61.7	-36.6	168.8	-72.8	-174.4	171.6	-179.4	0	111.8	S62 D63 S68 D69 E70	S62-K66 PolarHBondContact O-N 3.12Å; D63-K66 PolarHBondContact O-N 2.92Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.8Å; K66-D69 PolarHBondContact O-N 3.14Å; K66-E70 PolarHBondContact O-N 3.49Å
67	K	38.2	Very low	34.8	Very low	123 Å²	123	109 Å²	109	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-72.9	-9	174.1	-73.7	-152.9	161.5	-156.2	0	115.8	D63 R65 E70	D63-K67 WeakPolarHBondContact O-CB 3.07Å; D63-K67 WeakPolarHBondContact O-CG 3.35Å; D63-K67 PolarHBondContact O-N 3.34Å; R65-K67 VanDerWaalsContact C-N 3.25Å; R65-K67 PolarHBondContact O-N 3.47Å; K67-E70 WeakPolarHBondContact CG-OE2 3.48Å
68	S	32.2	Very low	33.7	Very low	61 Å²	61	114.4 Å²	114.4	43%	0.427	59%	0.586	S	S	.	*	H	α-helix	trans	-81.8	-26.8	162	60.7	0	0	0	0	112.3	I64 R65 K66	I64-S68 PolarHBondContact O-N 3.48Å; R65-S68 PolarHBondContact O-N 2.67Å; R65-S68 VanDerWaalsContact O-N 3.15Å; R65-S68 PolarHBondContact O-OG 3.44Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.8Å
69	D	32.9	Very low	33.2	Very low	100 Å²	100	120.6 Å²	120.6	54%	0.535	60%	0.604	S	S	.	*	H	α-helix	trans	-87.8	-29.1	-176.6	-55.8	-10.5	0	0	0	111.1	R65 K66 I71 N72	R65-D69 PolarHBondContact O-N 2.82Å; K66-D69 PolarHBondContact O-N 3.14Å; D69-I71 PolarHBondContact O-N 3.26Å; D69-N72 PolarHBondContact O-N 3.05Å
70	E	33.6	Very low	32.3	Very low	129 Å²	129	126 Å²	126	60%	0.603	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.7	-8	171.3	-74.3	179	166.5	0	0	114.4	K66 K67	K66-E70 PolarHBondContact O-N 3.49Å; K67-E70 WeakPolarHBondContact CG-OE2 3.48Å
71	I	33.4	Very low	31.5	Very low	92 Å²	92	125.7 Å²	125.7	47%	0.472	65%	0.653	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.5	-11.4	175.2	-67.2	172.6	0	0	0	111.8	D69 Y950	D69-I71 PolarHBondContact O-N 3.26Å; I71-Y950 HydrophobicContact CD1-CE1 4.11Å
72	N	27.8	Very low	30.9	Very low	143 Å²	143	125.7 Å²	125.7	77%	0.765	66%	0.662	S	S	*	*	S	Bend	trans	-108.1	25.9	-178.6	-84.8	-34.4	0	0	0	114.3	D69	D69-N72 PolarHBondContact O-N 3.05Å
73	V	28.5	Very low	30.3	Very low	120 Å²	120	131 Å²	131	73%	0.727	68%	0.68	S	S	*	*			trans	-134.3	83.9	171.3	-170.1	0	0	0	0	110.8
74	S	25.1	Very low	29.6	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	70%	0.7	S	S	*	*			trans	-127.7	43	171.9	58.7	0	0	0	0	112.5
75	Q	27.3	Very low	29.2	Very low	170 Å²	170	135.6 Å²	135.6	79%	0.794	71%	0.712	S	S	*	*			trans	-151.9	143.5	165.6	-116.1	166.9	21.7	0	0	113.1
76	N	28.7	Very low	28.7	Very low	155 Å²	155	135 Å²	135	83%	0.829	72%	0.718	S	S	*	*			trans	81.7	107.7	169	-56.1	-8.9	0	0	0	118.1
77	E	26.3	Very low	28.1	Very low	190 Å²	190	140.1 Å²	140.1	89%	0.888	73%	0.733	S	S	*	*			trans	-87.3	179.4	163.9	-61.3	178.7	110.4	0	0	111.4
78	E	26.3	Very low	27.6	Very low	148 Å²	148	143.7 Å²	143.7	69%	0.692	75%	0.752	S	S	*	*			trans	52.4	103	163.2	-80.3	-153.3	-165.1	0	0	119.3
79	R	29.6	Very low	27.2	Very low	221 Å²	221	148.6 Å²	148.6	83%	0.834	77%	0.773	S	S	*	*				-172.3	172.1	80.8	-113.1	159	-159.1	-162.3	1.2	115.3
80	T	24.7	Very low	26.7	Very low	147 Å²	147	151.1 Å²	151.1	90%	0.902	79%	0.786	S	S	*	*			trans	-91.8	149.2	-171.1	47.6	0	0	0	0	113.4
81	G	27.7	Very low	26.2	Very low	82 Å²	82	153.8 Å²	153.8	85%	0.845	80%	0.799	S	S	*	*			trans	-169.6	136.3	172.7	0	0	0	0	0	110.6
82	S	24.3	Very low	26	Very low	103 Å²	103	155.4 Å²	155.4	72%	0.72	81%	0.813	S	S	*	*			trans	-112.4	148.2	-165.4	-150.3	0	0	0	0	113.4
83	Q	24.4	Very low	25.9	Very low	171 Å²	171	155.8 Å²	155.8	80%	0.799	81%	0.813	S	S	*	*			trans	48.8	123.3	152.4	-66.3	165.8	3.1	0	0	119.9
84	S	24.5	Very low	25.7	Very low	103 Å²	103	155.6 Å²	155.6	72%	0.72	81%	0.813	S	S	*	*				176.1	150.9	99.7	-89.6	0	0	0	0	117.4
85	I	28.3	Very low	25.6	Very low	156 Å²	156	156.4 Å²	156.4	80%	0.8	81%	0.813	S	S	*	*			trans	75.3	128.5	147.7	-69.6	160.6	0	0	0	119.8
86	E	22.5	Very low	25.6	Very low	177 Å²	177	158.1 Å²	158.1	83%	0.827	82%	0.818	S	S	*	*			trans	-76.4	146.6	167.4	-47.8	161.4	101.7	0	0	111.9
87	R	24.7	Very low	25.3	Very low	238 Å²	238	160.2 Å²	160.2	90%	0.898	82%	0.82	S	S	*	*			trans	-177.1	169.8	134.9	-101.4	150.3	-166.5	178.2	4.9	113.2
88	Q	27.3	Very low	25.2	Very low	198 Å²	198	156.8 Å²	156.8	93%	0.925	82%	0.817	S	S	*	*			trans	62	77.1	174.5	-62.9	-169.8	-70.9	0	0	116.5
89	L	23.3	Very low	25.1	Very low	165 Å²	165	157.3 Å²	157.3	86%	0.864	82%	0.823	S	S	*	*			trans	-98.2	91.7	155.5	-176.2	111.9	0	0	0	109.2
90	D	22.4	Very low	24.8	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	82%	0.817	S	S	*	*			trans	174.6	96.4	149.7	-96.9	-20.9	0	0	0	110.9
91	E	23.9	Very low	24.8	Very low	186 Å²	186	149.7 Å²	149.7	87%	0.869	81%	0.809	S	S	*	*			trans	-170.3	171.6	145.8	-114.7	174.1	-154.1	0	0	111.7
92	T	29	Very low	24.7	Very low	125 Å²	125	152 Å²	152	77%	0.767	81%	0.807	S	S	*	*			trans	61.8	67.4	177.6	61.2	0	0	0	0	118.1
93	I	25.1	Very low	24.7	Very low	151 Å²	151	153.2 Å²	153.2	77%	0.774	81%	0.81	S	S	*	*			trans	-97.2	78.1	144.9	-56.3	-178	0	0	0	108.9
94	T	23.5	Very low	24.9	Very low	116 Å²	116	151.7 Å²	151.7	71%	0.712	81%	0.806	S	S	*	*			trans	-159.9	161.6	167.7	8.5	0	0	0	0	111
95	T	24.8	Very low	25	Very low	131 Å²	131	153.4 Å²	153.4	80%	0.804	81%	0.807	S	S	*	*			trans	53.6	90.8	169.2	57.5	0	0	0	0	118.9
96	K	26.8	Very low	24.9	Very low	205 Å²	205	150.8 Å²	150.8	89%	0.891	80%	0.802	S	S	*	*			trans	-164.4	88.4	138.4	-112.2	162.8	-172.7	174	0	113.1
97	F	23	Very low	25	Very low	200 Å²	200	150 Å²	150	88%	0.877	80%	0.804	S	S	*	*			trans	-155	82.1	152.9	-102.9	-64.1	0	0	0	110.2
98	S	22.6	Very low	25.2	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	80%	0.803	S	S	*	*			trans	-152.5	121.3	163.2	-75.6	0	0	0	0	106.4
99	I	25.7	Very low	25.1	Very low	159 Å²	159	141.5 Å²	141.5	82%	0.815	79%	0.79	S	S	*	*			trans	-123.5	111.7	-174.6	-60.4	175.8	0	0	0	107.8
100	S	21.7	Very low	25.2	Very low	102 Å²	102	138.6 Å²	138.6	71%	0.713	78%	0.784	S	S	*	*			trans	-163.7	162.6	169.4	48.4	0	0	0	0	108.5
101	S	26.2	Very low	25.5	Very low	105 Å²	105	139.3 Å²	139.3	73%	0.734	79%	0.786	S	S	*	*			trans	52.6	97.2	-176.9	55.8	0	0	0	0	115.7
102	V	25.3	Very low	25.6	Very low	132 Å²	132	137.5 Å²	137.5	80%	0.8	78%	0.782	S	S	*	*			trans	-85.7	118.9	150.2	171.4	0	0	0	0	106.7	I104	V102-I104 HydrophobicContact CG1-CD1 4.3Å; V102-I104 HydrophobicContact CG1-CG1 3.86Å
103	T	24.1	Very low	25.5	Very low	127 Å²	127	136.7 Å²	136.7	78%	0.779	78%	0.78	S	S	*	*			trans	-127	117.1	164.9	-46.2	0	0	0	0	106
104	I	28.6	Very low	25.6	Very low	139 Å²	139	140.4 Å²	140.4	71%	0.713	78%	0.784	S	S	*	*			trans	-87.1	121.8	-174.1	-68.9	177.9	0	0	0	109	V102	V102-I104 HydrophobicContact CG1-CD1 4.3Å; V102-I104 HydrophobicContact CG1-CG1 3.86Å
105	N	26.6	Very low	25.6	Very low	140 Å²	140	140.6 Å²	140.6	75%	0.749	79%	0.785	S	S	*	*			trans	21	149.9	132.8	-62.5	7.8	0	0	0	119.5
106	S	26.8	Very low	25.7	Very low	100 Å²	100	143.2 Å²	143.2	70%	0.699	79%	0.789	S	S	*	*			cis	-179	148.8	-9.5	47.3	0	0	0	0	108.5
107	N	24.3	Very low	25.7	Very low	161 Å²	161	140.6 Å²	140.6	86%	0.861	78%	0.783	S	S	*	*			trans	-110.5	126.8	170	-81.4	2.5	0	0	0	111.9
108	N	28.3	Very low	25.8	Very low	164 Å²	164	140.6 Å²	140.6	88%	0.877	78%	0.782	S	S	*	*			trans	176.7	144	147.2	-92.7	-14.9	0	0	0	107.6
109	S	25.9	Very low	25.9	Very low	94 Å²	94	139.6 Å²	139.6	66%	0.657	78%	0.775	S	S	*	*			cis	-157.9	147.5	3.8	48.7	0	0	0	0	112.9
110	S	24.9	Very low	25.9	Very low	104 Å²	104	138.5 Å²	138.5	73%	0.727	78%	0.78	S	S	*	*			trans	44.1	123.6	144.8	62.4	0	0	0	0	121.9
111	I	28.3	Very low	26.1	Very low	167 Å²	167	136.7 Å²	136.7	86%	0.856	78%	0.778	S	S	*	*				-121.5	148.9	128.1	-66.8	-178.2	0	0	0	107.3
112	D	25.4	Very low	26.2	Very low	148 Å²	148	138.6 Å²	138.6	79%	0.791	78%	0.78	S	S	*	*			trans	-49.7	159.9	175.4	-68.9	-73.7	0	0	0	114
113	C	26.8	Very low	26.3	Very low	107 Å²	107	139.5 Å²	139.5	72%	0.723	78%	0.78	S	S	*	*			cis	-163.6	160.1	34.5	-155.3	0	0	0	0	114.7
114	R	27.2	Very low	26.5	Very low	230 Å²	230	139.6 Å²	139.6	87%	0.868	78%	0.776	S	S	*	*			trans	70.5	128.3	151.6	-128.9	177.3	-169.1	114.2	1.2	120.3
115	T	24.5	Very low	26.6	Very low	119 Å²	119	138.7 Å²	138.7	73%	0.73	77%	0.772	S	S	*	*			trans	-85.3	146.8	165	48.7	0	0	0	0	111.7
116	E	27.2	Very low	26.9	Very low	187 Å²	187	136.6 Å²	136.6	87%	0.874	77%	0.765	S	S	*	*				-170.3	155.3	117.5	-107.7	170.3	-146.9	0	0	115.8
117	I	25.6	Very low	27.1	Very low	149 Å²	149	140.7 Å²	140.7	76%	0.764	77%	0.766	S	S	*	*			trans	-80	130.3	-170	-63.9	149.5	0	0	0	112.6
118	K	25.6	Very low	27.5	Very low	201 Å²	201	139.7 Å²	139.7	87%	0.874	76%	0.756	S	S	*	*				176	-166.7	123.2	-116.4	143.3	-172.2	179.3	0	114.9
119	S	25.3	Very low	27.5	Very low	96 Å²	96	137.1 Å²	137.1	67%	0.671	74%	0.742	S	S	*	*			trans	-137.2	159.2	-154.3	57.4	0	0	0	0	115.2
120	C	24.7	Very low	27.7	Very low	136 Å²	136	139.5 Å²	139.5	92%	0.919	74%	0.743	S	S	*	*			trans	73.9	151.7	166.4	-57.6	0	0	0	0	117.8
121	G	26.4	Very low	27.8	Very low	65 Å²	65	141 Å²	141	67%	0.67	74%	0.741	S	S	*	*			trans	124.3	77.4	166.7	0	0	0	0	0	116.2
122	D	27.4	Very low	27.9	Very low	145 Å²	145	141 Å²	141	78%	0.775	74%	0.735	S	S	*	*				31.5	137.2	124.6	-44.4	-19.9	0	0	0	121.9
123	D	27.9	Very low	28	Very low	150 Å²	150	139.6 Å²	139.6	80%	0.802	73%	0.727	S	S	*	*			trans	60.2	152	146	-52.2	-13.1	0	0	0	119.9
124	D	29.6	Very low	28.1	Very low	130 Å²	130	142.5 Å²	142.5	70%	0.695	73%	0.731	S	S	*	*			cis	-161.6	169.2	3.2	-136.1	10.4	0	0	0	108.2
125	N	30.3	Very low	28.1	Very low	119 Å²	119	135.9 Å²	135.9	64%	0.636	73%	0.725	S	S	*	*			cis	-166.8	-170.6	-10.1	-149.2	-39.6	0	0	0	109
126	V	32.1	Very low	28.3	Very low	97 Å²	97	134.8 Å²	134.8	59%	0.588	73%	0.728	S	S	*	*			trans	67.7	133.4	137.9	156.6	0	0	0	0	119.3
127	Y	31.5	Very low	28.2	Very low	186 Å²	186	130.8 Å²	130.8	73%	0.729	72%	0.72	S	S	*	*			cis	-129.8	166	4.7	-88.6	-55.5	0	0	0	109.5
128	H	32.2	Very low	28.4	Very low	140 Å²	140	131.2 Å²	131.2	65%	0.648	73%	0.725	S	S	*	*			cis	-154.7	139	7.5	-125.8	-39.7	0	0	0	111.2
129	N	29	Very low	28.6	Very low	109 Å²	109	130 Å²	130	58%	0.583	72%	0.722	S	S	*	*			trans	22.3	150.5	131.7	-63.7	-0.1	0	0	0	122.3
130	Q	30.4	Very low	28.7	Very low	145 Å²	145	130.3 Å²	130.3	68%	0.678	72%	0.722	S	S	*	*			cis	-162.8	143.1	-3.2	-109.3	161.5	-12.4	0	0	108.4
131	I	27.5	Very low	28.9	Very low	134 Å²	134	130.9 Å²	130.9	69%	0.687	71%	0.712	S	S	*	*				56.6	125.7	89.2	-55.5	-174.5	0	0	0	112.2
132	K	29.7	Very low	29	Very low	169 Å²	169	135.3 Å²	135.3	74%	0.735	72%	0.715	S	S	*	*			cis	-163	150.5	49.9	-141.7	149.1	-166.8	178.7	0	113.6
133	N	27.3	Very low	29	Very low	117 Å²	117	135.6 Å²	135.6	63%	0.626	71%	0.711	S	S	*	*			trans	30.5	161	136.4	-48.8	17.1	0	0	0	121.4
134	E	28	Very low	29.1	Very low	169 Å²	169	135.2 Å²	135.2	79%	0.79	70%	0.704	S	S	*	*			cis	-156.3	177.3	12.5	-142.3	144.7	-114	0	0	114.5
135	A	27.4	Very low	28.9	Very low	91 Å²	91	135.8 Å²	135.8	75%	0.752	70%	0.703	S	S	*	*			trans	-68.4	176.3	-165.8	0	0	0	0	0	121.2
136	A	29	Very low	28.7	Very low	96 Å²	96	136 Å²	136	79%	0.793	70%	0.704	S	S	*	*			trans	92.8	96	140.5	0	0	0	0	0	122.1
137	S	26.4	Very low	28.7	Very low	102 Å²	102	137.9 Å²	137.9	71%	0.713	71%	0.711	S	S	*	*			trans	-3.9	132.8	138	-169.6	0	0	0	0	120.3
138	N	29.8	Very low	28.7	Very low	159 Å²	159	135.5 Å²	135.5	85%	0.85	71%	0.706	S	S	*	*				-176.5	-174.5	113.9	-89.3	-12.2	0	0	0	112.7
139	H	29.1	Very low	28.7	Very low	176 Å²	176	135.2 Å²	135.2	82%	0.815	71%	0.705	S	S	*	*			trans	-135.8	145.3	-151.8	-163.5	60.3	0	0	0	114
140	C	27.6	Very low	28.7	Very low	101 Å²	101	137.5 Å²	137.5	68%	0.682	71%	0.712	S	S	*	*			trans	67.2	158.7	171	-70.2	0	0	0	0	117.2
141	Q	28.6	Very low	28.8	Very low	149 Å²	149	134.9 Å²	134.9	70%	0.696	71%	0.71	S	S	*	*			cis	-156.5	145	13.4	-146.6	-179.6	-28.4	0	0	113.6
142	H	29.3	Very low	29.1	Very low	158 Å²	158	135.2 Å²	135.2	73%	0.731	71%	0.708	S	S	*	*			trans	60	160.6	161.4	-69.6	-42.6	0	0	0	118.9
143	Q	27.4	Very low	29.3	Very low	150 Å²	150	134.5 Å²	134.5	70%	0.701	71%	0.711	S	S	*	*			cis	-151.8	164	7.7	-138.5	173.8	-1.8	0	0	111.8
144	H	28.6	Very low	29.4	Very low	143 Å²	143	134.1 Å²	134.1	66%	0.662	71%	0.709	S	S	*	*			trans	19.6	151	153.6	-64.4	-32.2	0	0	0	123
145	Q	26.6	Very low	29.6	Very low	142 Å²	142	130.1 Å²	130.1	66%	0.664	70%	0.704	S	S	*	*			cis	-169.3	159.7	0.7	-119.8	175.7	-4.1	0	0	112.6
146	N	25.8	Very low	29.7	Very low	123 Å²	123	131.1 Å²	131.1	66%	0.658	70%	0.702	S	S	*	*			trans	66.8	156.6	145.6	-61.6	-11.8	0	0	0	123.2
147	N	30.9	Very low	29.7	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	70%	0.703	S	S	*	*			trans	72.5	145.7	160.4	-62.6	-6.2	0	0	0	118.4
148	H	33.1	Very low	29.8	Very low	135 Å²	135	137.5 Å²	137.5	63%	0.625	71%	0.709	S	S	*	*			cis	-155.5	151.1	-9	-121.8	-58.1	0	0	0	111.6
149	H	31.4	Very low	29.6	Very low	135 Å²	135	137.8 Å²	137.8	63%	0.625	71%	0.705	S	S	*	*			trans	37.2	121.6	143.1	-71.8	-6.5	0	0	0	123.3
150	Q	29.7	Very low	29.7	Very low	157 Å²	157	136.7 Å²	136.7	73%	0.734	70%	0.703	S	S	*	*				93.5	161.2	96.6	-74	171.1	-33.3	0	0	112.9
151	S	32.8	Very low	30.1	Very low	90 Å²	90	137.3 Å²	137.3	63%	0.629	71%	0.706	S	S	*	*			cis	-142.9	133.4	13.7	49.1	0	0	0	0	110.7
152	E	33.4	Very low	30.2	Very low	140 Å²	140	137 Å²	137	65%	0.654	71%	0.714	S	S	*	*				80.7	155.4	108	-64.4	-176.8	111.5	0	0	114.6	N154	E152-N154 PolarHBondContact OE1-ND2 2.97Å
153	I	32.8	Very low	30.2	Very low	155 Å²	155	134.7 Å²	134.7	80%	0.795	72%	0.716	S	S	*	*			cis	-126.8	116.2	24.5	-69.7	171	0	0	0	108.1
154	N	30.8	Very low	30.4	Very low	108 Å²	108	133.8 Å²	133.8	58%	0.578	72%	0.723	S	S	*	*				69.9	143.8	84.9	-63.4	-15.1	0	0	0	113.5	E152	E152-N154 PolarHBondContact OE1-ND2 2.97Å
155	A	31.1	Very low	30.3	Very low	85 Å²	85	132 Å²	132	70%	0.702	73%	0.727	S	S	*	*			cis	-166.4	164.5	5.7	0	0	0	0	0	109.5
156	T	30.1	Very low	30.5	Very low	113 Å²	113	130.1 Å²	130.1	69%	0.693	73%	0.729	S	S	*	*			cis	-168.8	144	-13.7	28.8	0	0	0	0	110.6
157	N	29.6	Very low	30.6	Very low	153 Å²	153	132.1 Å²	132.1	82%	0.818	74%	0.739	S	S	*	*			trans	73.8	171.3	140.4	-61	15.4	0	0	0	122.3
158	E	26.9	Very low	30.7	Very low	179 Å²	179	131.3 Å²	131.3	84%	0.836	74%	0.739	S	S	*	*			trans	-120.6	165.9	-151.3	-60.8	166.8	116.7	0	0	114.7
159	E	26.4	Very low	30.4	Very low	165 Å²	165	128 Å²	128	77%	0.771	74%	0.741	S	S	*	*			trans	78.7	148.6	140.7	-96.8	-168.4	-177.4	0	0	124.8
160	I	31.1	Very low	30.3	Very low	153 Å²	153	130.8 Å²	130.8	79%	0.785	76%	0.755	S	S	*	*			trans	76.7	141.3	161	-70.9	165.5	0	0	0	117.3
161	P	35.9	Very low	30.3	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	75%	0.754	S	S	*	*			trans	-120.2	167.2	-148.3	41.5	-29.3	0	0	0	115.8
162	V	29.9	Very low	30.1	Very low	142 Å²	142	128.6 Å²	128.6	86%	0.861	76%	0.757	S	S	*	*			trans	-174.5	142	142.3	137.7	0	0	0	0	109.9
163	S	30.2	Very low	29.6	Very low	110 Å²	110	126.6 Å²	126.6	77%	0.769	76%	0.758	S	S	*	*			trans	-79.6	152.9	176	-46.5	0	0	0	0	112.1
164	P	31	Very low	29.4	Very low	130 Å²	130	128.2 Å²	128.2	84%	0.844	76%	0.759	S	S	*	*				-147.6	169	101	38	-22.4	0	0	0	116
165	S	27.2	Very low	29.1	Very low	107 Å²	107	126.8 Å²	126.8	75%	0.748	76%	0.758	S	S	*	*			trans	-98.1	157.8	178.6	57.3	0	0	0	0	113.8
166	S	29.7	Very low	29.1	Very low	102 Å²	102	130.6 Å²	130.6	71%	0.713	76%	0.761	S	S	*	*				163.5	147.3	111.6	53.9	0	0	0	0	114.8
167	L	29.4	Very low	29	Very low	165 Å²	165	131.5 Å²	131.5	86%	0.864	76%	0.761	S	S	*	*			trans	-178.4	79.1	155.2	-99.3	170.4	0	0	0	105.5
168	T	31.4	Very low	28.8	Very low	120 Å²	120	130.8 Å²	130.8	74%	0.736	76%	0.757	S	S	*	*				95.7	133.9	67.7	54.9	0	0	0	0	113.7
169	G	28.3	Very low	28.9	Very low	65 Å²	65	127.9 Å²	127.9	67%	0.67	75%	0.752	S	S	*	*			trans	143.4	68.5	-175.2	0	0	0	0	0	109.2
170	Q	28.8	Very low	29	Very low	194 Å²	194	124.3 Å²	124.3	91%	0.907	75%	0.745	S	S	*	*				64	128.6	90.5	-65.3	-171.3	-0.1	0	0	112.5
171	S	28.9	Very low	28.7	Very low	103 Å²	103	122.5 Å²	122.5	72%	0.72	75%	0.746	S	S	*	*			cis	-157.5	166.7	15.7	52.4	0	0	0	0	113.7
172	S	28.6	Very low	28.5	Very low	98 Å²	98	122.8 Å²	122.8	69%	0.685	75%	0.748	S	S	*	*			trans	23.4	136	151	51.3	0	0	0	0	121.6
173	S	24.5	Very low	28.3	Very low	97 Å²	97	123.5 Å²	123.5	68%	0.678	74%	0.744	S	S	*	*			cis	121.5	173.8	14.9	67	0	0	0	0	111.9
174	F	28.1	Very low	28.2	Very low	189 Å²	189	123.8 Å²	123.8	83%	0.829	75%	0.746	S	S	*	*			trans	75.4	126.4	-166.5	-59.3	-88.3	0	0	0	114.7
175	S	24.9	Very low	27.9	Very low	78 Å²	78	127 Å²	127	55%	0.545	74%	0.742	S	S	.	*			cis	108.8	146	4.7	78.5	0	0	0	0	115.9
176	H	29.9	Very low	27.9	Very low	166 Å²	166	124.6 Å²	124.6	77%	0.769	73%	0.734	S	S	*	*			trans	75.4	143.1	170.4	-62.7	-57.9	0	0	0	116.1
177	L	27.9	Very low	27.8	Very low	132 Å²	132	126.9 Å²	126.9	69%	0.691	74%	0.738	S	S	*	*			cis	-157.5	148.9	2.1	-111.1	159	0	0	0	110.8
178	N	26.5	Very low	27.8	Very low	137 Å²	137	128 Å²	128	73%	0.733	74%	0.739	S	S	*	*			trans	36.3	153.3	143	-66.6	10.1	0	0	0	122.9
179	T	28.8	Very low	27.5	Very low	118 Å²	118	130.4 Å²	130.4	72%	0.724	75%	0.747	S	S	*	*			cis	-158.7	159.4	16.9	-13.6	0	0	0	0	113.2
180	S	28.1	Very low	27.4	Very low	91 Å²	91	134.8 Å²	134.8	64%	0.636	76%	0.755	S	S	*	*			trans	11.2	134.5	153.9	55	0	0	0	0	121.6
181	S	24.8	Very low	27.4	Very low	115 Å²	115	130.3 Å²	130.3	80%	0.804	75%	0.745	S	S	*	*				68.2	151.3	54.1	-50.6	0	0	0	0	114.3
182	P	32.6	Very low	27.4	Very low	119 Å²	119	133 Å²	133	77%	0.773	75%	0.75	S	S	*	*			cis	-115.6	160	6.4	39	-25	0	0	0	114.2
183	M	24.1	Very low	27.3	Very low	158 Å²	158	133.9 Å²	133.9	78%	0.778	75%	0.753	S	S	*	*				72	107.9	59	-87.7	-167.6	76.8	0	0	118.2	Y185	M183-Y185 HydrophobicContact CE-CD2 4.07Å; M183-Y185 HydrophobicContact CE-CE2 3.74Å
184	S	27.8	Very low	27.2	Very low	116 Å²	116	135.1 Å²	135.1	81%	0.811	76%	0.756	S	S	*	*			trans	179	108.1	140.7	-177.7	0	0	0	0	108.5
185	Y	26.2	Very low	27	Very low	198 Å²	198	132.7 Å²	132.7	78%	0.776	76%	0.757	S	S	*	*				106.8	140.4	59.5	-117.1	-73.4	0	0	0	112.3	M183	M183-Y185 HydrophobicContact CE-CD2 4.07Å; M183-Y185 HydrophobicContact CE-CE2 3.74Å
186	G	27.2	Very low	27.1	Very low	56 Å²	56	134.5 Å²	134.5	58%	0.577	77%	0.769	S	S	*	*			trans	106.4	93	-168	0	0	0	0	0	110.5
187	D	27.2	Very low	26.8	Very low	149 Å²	149	131.5 Å²	131.5	80%	0.797	77%	0.767	S	S	*	*				69.5	132.8	77.8	-60.3	-39.6	0	0	0	112.5
188	E	29.2	Very low	26.9	Very low	190 Å²	190	132.8 Å²	132.8	89%	0.888	77%	0.773	S	S	*	*			cis	-126.4	163.4	11.5	-55.9	176	111.7	0	0	112.5
189	L	24.5	Very low	26.7	Very low	170 Å²	170	134 Å²	134	89%	0.89	78%	0.78	S	S	*	*			trans	-149.7	117.8	165.1	-126.4	176.7	0	0	0	112.6
190	N	27.3	Very low	26.5	Very low	156 Å²	156	135 Å²	135	83%	0.834	78%	0.781	S	S	*	*			trans	-142.8	105.6	-179.2	-127.1	-25.7	0	0	0	110.7
191	S	27.4	Very low	26.4	Very low	101 Å²	101	139.3 Å²	139.3	71%	0.706	80%	0.795	S	S	*	*			trans	176.4	119.1	144.2	35.4	0	0	0	0	116.3
192	I	29.5	Very low	26.4	Very low	160 Å²	160	140.1 Å²	140.1	82%	0.821	79%	0.79	S	S	*	*			trans	63.8	116.6	130.9	-53.9	166	0	0	0	120.1
193	P	27	Very low	26	Very low	115 Å²	115	139.2 Å²	139.2	75%	0.747	79%	0.786	S	S	*	*			trans	-100.8	122.6	163.7	35.1	-28.5	0	0	0	115.2
194	V	23.2	Very low	26.1	Very low	124 Å²	124	140 Å²	140	75%	0.752	79%	0.793	S	S	*	*			trans	50.7	140.4	139.8	-144.9	0	0	0	0	122.7
195	T	24	Very low	25.9	Very low	137 Å²	137	141.5 Å²	141.5	84%	0.84	79%	0.792	S	S	*	*			trans	76.8	147.9	170.9	76.8	0	0	0	0	115.2
196	S	26.9	Very low	25.9	Very low	116 Å²	116	140 Å²	140	81%	0.811	79%	0.792	S	S	*	*			cis	-141	179.6	25.7	62.3	0	0	0	0	114.7
197	S	23.4	Very low	25.8	Very low	103 Å²	103	145.8 Å²	145.8	72%	0.72	80%	0.798	S	S	*	*			trans	-96.3	148.1	168.3	174.5	0	0	0	0	110.2
198	I	28.4	Very low	25.7	Very low	159 Å²	159	146.6 Å²	146.6	82%	0.815	80%	0.802	S	S	*	*			trans	-174.1	132.5	137.9	-95.9	149.3	0	0	0	109.9
199	D	22.7	Very low	25.5	Very low	163 Å²	163	144.5 Å²	144.5	87%	0.872	79%	0.792	S	S	*	*			trans	-105.5	107.3	163.4	-102.9	-32.6	0	0	0	107.2
200	D	25.7	Very low	25.6	Very low	139 Å²	139	142.9 Å²	142.9	74%	0.743	79%	0.785	S	S	*	*			trans	169.2	116.7	143.5	-101.2	-25.2	0	0	0	110.9
201	L	25.6	Very low	25.6	Very low	181 Å²	181	143.1 Å²	143.1	95%	0.948	79%	0.786	S	S	*	*			trans	-165.4	147.7	132.8	-107.8	169.7	0	0	0	109.9
202	L	25.4	Very low	25.5	Very low	133 Å²	133	141.6 Å²	141.6	70%	0.696	79%	0.786	S	S	*	*			trans	-116.6	126.6	-168	-92.9	161.5	0	0	0	112
203	S	23.1	Very low	25.4	Very low	99 Å²	99	142 Å²	142	69%	0.692	79%	0.788	S	S	*	*			trans	40.5	119.2	145.2	61.7	0	0	0	0	120.1
204	L	26.2	Very low	25.4	Very low	174 Å²	174	144.2 Å²	144.2	91%	0.911	79%	0.793	S	S	*	*			trans	-149.3	155.4	133.4	-120.9	137.3	0	0	0	110.5
205	D	23.7	Very low	25.4	Very low	148 Å²	148	146.6 Å²	146.6	79%	0.791	79%	0.793	S	S	*	*			trans	-99.9	171.4	-175.2	-74.8	-61.1	0	0	0	112.5
206	Q	26.3	Very low	25.5	Very low	167 Å²	167	146.3 Å²	146.3	78%	0.78	79%	0.786	S	S	*	*			trans	92.8	128.1	153.1	-75.3	-171.4	-45.4	0	0	121.1
207	Y	24.2	Very low	25.4	Very low	177 Å²	177	151.2 Å²	151.2	69%	0.694	79%	0.793	S	S	*	*			trans	48.6	124.8	152.8	-74	-78.6	0	0	0	120.3
208	D	26.9	Very low	25.4	Very low	167 Å²	167	151.7 Å²	151.7	89%	0.893	80%	0.797	S	S	*	*				-145.5	167	94.1	-107.6	-24.2	0	0	0	111.8
209	Q	24.1	Very low	25.2	Very low	145 Å²	145	149.1 Å²	149.1	68%	0.678	79%	0.793	S	S	*	*			trans	-145.9	127.5	-177.3	-175.1	-173	-36.5	0	0	107.6
210	D	26.9	Very low	25.4	Very low	137 Å²	137	149.9 Å²	149.9	73%	0.733	79%	0.792	S	S	*	*			trans	168.1	136.1	136.9	-83.7	-11.1	0	0	0	113.9
211	D	27.3	Very low	25.4	Very low	161 Å²	161	150.9 Å²	150.9	86%	0.861	80%	0.797	S	S	*	*			trans	21.2	119.4	148.8	-63.6	-6.2	0	0	0	123
212	G	24.3	Very low	25.2	Very low	69 Å²	69	150.3 Å²	150.3	71%	0.711	79%	0.789	S	S	*	*				116.7	159.1	93.1	0	0	0	0	0	119.9
213	I	28	Very low	25.3	Very low	168 Å²	168	154.8 Å²	154.8	86%	0.862	80%	0.798	S	S	*	*			trans	69.6	94.2	166.3	-44.1	175	0	0	0	116.9
214	L	26.4	Very low	25.4	Very low	162 Å²	162	154.1 Å²	154.1	85%	0.848	79%	0.794	S	S	*	*				-146.3	150	99.6	-144.9	90.2	0	0	0	110.4
215	K	24.2	Very low	25.4	Very low	173 Å²	173	152.2 Å²	152.2	75%	0.752	78%	0.783	S	S	*	*			trans	-112.1	-178.5	169.6	-95.6	-170.4	176.4	-177	0	109.2
216	D	25.2	Very low	25.6	Very low	131 Å²	131	152.3 Å²	152.3	70%	0.701	78%	0.784	S	S	*	*			trans	69.4	88.9	160.1	-51.3	-28	0	0	0	116.6
217	F	25.7	Very low	25.6	Very low	219 Å²	219	154.8 Å²	154.8	96%	0.961	79%	0.786	S	S	*	*				-145.8	110.9	125.2	-102.9	-71.5	0	0	0	109.9
218	S	22.3	Very low	25.7	Very low	113 Å²	113	152.2 Å²	152.2	79%	0.79	79%	0.789	S	S	*	*			trans	-151.8	98.4	174.1	61.5	0	0	0	0	111.7
219	S	25.3	Very low	26	Very low	106 Å²	106	149.1 Å²	149.1	74%	0.741	78%	0.776	S	S	*	*			trans	-168.4	156.2	155.4	55.5	0	0	0	0	111
220	Q	25.8	Very low	26.2	Very low	179 Å²	179	148.3 Å²	148.3	84%	0.836	78%	0.776	S	S	*	*			trans	57.9	86.7	163.5	-63.4	178.2	-1.3	0	0	117.8
221	N	26.2	Very low	26.6	Very low	160 Å²	160	146.1 Å²	146.1	86%	0.856	77%	0.772	S	S	*	*				-145.8	133.1	101.2	-113.8	-31.2	0	0	0	110.4
222	Q	22.3	Very low	27	Very low	169 Å²	169	142 Å²	142	79%	0.79	76%	0.755	S	S	*	*			trans	-144.9	107.7	-170.3	179.8	177.4	-1.9	0	0	109.3
223	Y	26.3	Very low	27.4	Very low	226 Å²	226	143.3 Å²	143.3	89%	0.886	75%	0.746	S	S	*	*			trans	-123.2	101.2	166.4	-90.1	-80.1	0	0	0	110
224	S	26	Very low	27.7	Very low	86 Å²	86	142.4 Å²	142.4	60%	0.601	74%	0.738	S	S	*	*			trans	-63.3	159.9	153.2	45	0	0	0	0	110.7
225	I	26.2	Very low	28	Very low	133 Å²	133	143.8 Å²	143.8	68%	0.682	73%	0.732	S	S	*	*			cis	-164.1	156	-7.3	-110.3	163.5	0	0	0	104.7
226	D	26.9	Very low	28.3	Very low	151 Å²	151	144.5 Å²	144.5	81%	0.807	73%	0.73	S	S	*	*			trans	-152.3	153	134.2	-128.3	-35.7	0	0	0	114.4
227	R	26.4	Very low	28.5	Very low	219 Å²	219	142.1 Å²	142.1	83%	0.826	72%	0.717	S	S	*	*			trans	-130.2	78.5	-167.1	-79.3	-179.1	163.4	-177.9	-2.6	113.3
228	T	26.9	Very low	28.9	Very low	122 Å²	122	134.9 Å²	134.9	75%	0.748	69%	0.694	S	S	*	*			trans	-140.5	79.3	174	55.5	0	0	0	0	114
229	T	32.9	Very low	29.3	Very low	103 Å²	103	135.8 Å²	135.8	63%	0.632	69%	0.685	S	S	*	*			trans	-170.3	9.4	158.4	11.1	0	0	0	0	117.3	S231 S232	T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 3.2Å; T229-S231 VanDerWaalsContact O-N 3.12Å; T229-S232 PolarHBondContact O-N 2.67Å
230	N	28.2	Very low	29.6	Very low	127 Å²	127	133.1 Å²	133.1	68%	0.679	67%	0.667	S	S	*	*	H	α-helix	trans	-67.8	-16	-170.3	-77.1	9.4	0	0	0	116.1	S232 L233 E234	N230-S232 VanDerWaalsContact C-N 3.3Å; N230-S232 PolarHBondContact O-N 3.42Å; N230-L233 PolarHBondContact O-N 2.8Å; N230-E234 PolarHBondContact O-N 2.87Å
231	S	36	Very low	29.8	Very low	91 Å²	91	130.9 Å²	130.9	64%	0.636	66%	0.656	S	S	*	*	H	α-helix	trans	-72.6	-19.3	175.2	56.7	0	0	0	0	114.3	T229	T229-S231 VanDerWaalsContact C-N 3.28Å; T229-S231 PolarHBondContact O-N 3.2Å; T229-S231 VanDerWaalsContact O-N 3.12Å
232	S	35.9	Very low	29.9	Very low	74 Å²	74	129.7 Å²	129.7	52%	0.517	65%	0.649	S	S	.	*	H	α-helix	trans	-89.4	-39.1	172.7	-55.7	0	0	0	0	111.5	T229 N230 R235 W236	T229-S232 PolarHBondContact O-N 2.67Å; N230-S232 VanDerWaalsContact C-N 3.3Å; N230-S232 PolarHBondContact O-N 3.42Å; S232-R235 PolarHBondContact O-N 2.91Å; S232-W236 PolarHBondContact O-N 2.85Å; S232-W236 VanDerWaalsContact O-N 3.11Å
233	L	31.4	Very low	30.3	Very low	98 Å²	98	129.5 Å²	129.5	51%	0.513	65%	0.652	S	S	.	*	H	α-helix	trans	-67.1	-38.9	-175.9	-156.4	76.9	0	0	0	112.1	N230 R235 W236 L237	N230-L233 PolarHBondContact O-N 2.8Å; L233-R235 PolarHBondContact O-N 2.99Å; L233-W236 PolarHBondContact O-N 3.01Å; L233-L237 HydrophobicContact CD2-CD1 4.19Å; L233-L237 HydrophobicContact CG-CD1 4.07Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CB 3.39Å; L233-L237 VanDerWaalsContact O-CG 3.31Å; L233-L237 WeakPolarHBondContact O-CG 3.27Å; L233-L237 PolarHBondContact O-N 3.43Å
234	E	34.2	Very low	30.3	Very low	149 Å²	149	129.3 Å²	129.3	70%	0.696	65%	0.65	S	S	*	*	H	α-helix	trans	-66.7	-33.3	175.8	-71.9	-164.6	158.5	0	0	113.2	N230 S238	N230-E234 PolarHBondContact O-N 2.87Å; E234-S238 VanDerWaalsContact O-CB 3.24Å; E234-S238 WeakPolarHBondContact O-CB 3.48Å; E234-S238 PolarHBondContact O-N 3.17Å
235	R	32.8	Very low	30.3	Very low	191 Å²	191	129.7 Å²	129.7	72%	0.721	65%	0.652	S	S	*	*	H	α-helix	trans	-67.4	-36.9	172.2	-84.8	-173	170.2	82.8	-0.8	112.2	S232 L233 Q239	S232-R235 PolarHBondContact O-N 2.91Å; L233-R235 PolarHBondContact O-N 2.99Å; R235-Q239 PolarHBondContact O-N 2.96Å
236	W	31.3	Very low	30.4	Very low	187 Å²	187	130.5 Å²	130.5	71%	0.708	66%	0.657	S	S	*	*	H	α-helix	trans	-73.5	-39.1	176.8	-145.3	75.6	0	0	0	111.9	S232 L233 Q239 S240	S232-W236 PolarHBondContact O-N 2.85Å; S232-W236 VanDerWaalsContact O-N 3.11Å; L233-W236 PolarHBondContact O-N 3.01Å; W236-Q239 PolarHBondContact O-N 2.62Å; W236-S240 PolarHBondContact O-N 3.18Å
237	L	30.6	Very low	30.7	Very low	82 Å²	82	129.2 Å²	129.2	43%	0.429	66%	0.655	S	S	.	*	H	α-helix	trans	-64.6	-41.9	173.5	-74.3	167.9	0	0	0	111.5	L233 Q239 S240 E241	L233-L237 HydrophobicContact CD2-CD1 4.19Å; L233-L237 HydrophobicContact CG-CD1 4.07Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CB 3.39Å; L233-L237 VanDerWaalsContact O-CG 3.31Å; L233-L237 WeakPolarHBondContact O-CG 3.27Å; L233-L237 PolarHBondContact O-N 3.43Å; L237-Q239 VanDerWaalsContact C-N 3.29Å; L237-Q239 PolarHBondContact O-N 3.13Å; L237-S240 WeakPolarHBondContact CA-OG 3.37Å; L237-S240 CarbonylContact O-C 3.49Å; L237-S240 WeakPolarHBondContact O-CA 3.28Å; L237-S240 WeakPolarHBondContact O-CB 3.23Å; L237-S240 PolarHBondContact O-N 3Å; L237-S240 PolarHBondContact O-OG 2.86Å; L237-E241 PolarHBondContact O-N 3.36Å
238	S	33.1	Very low	31.2	Very low	67 Å²	67	129.5 Å²	129.5	47%	0.469	66%	0.656	S	S	.	*	H	α-helix	trans	-60	-36.2	173.4	-174.5	0	0	0	0	112.6	E234 L242	E234-S238 VanDerWaalsContact O-CB 3.24Å; E234-S238 WeakPolarHBondContact O-CB 3.48Å; E234-S238 PolarHBondContact O-N 3.17Å; S238-L242 PolarHBondContact O-N 3.28Å
239	Q	30.9	Very low	32.3	Very low	131 Å²	131	124.6 Å²	124.6	61%	0.612	63%	0.626	S	S	*	*	H	α-helix	trans	-69.6	-31.3	170.3	-72.6	-174.6	-8.4	0	0	113	R235 W236 L237	R235-Q239 PolarHBondContact O-N 2.96Å; W236-Q239 PolarHBondContact O-N 2.62Å; L237-Q239 VanDerWaalsContact C-N 3.29Å; L237-Q239 PolarHBondContact O-N 3.13Å
240	S	31.4	Very low	33.4	Very low	50 Å²	50	127.9 Å²	127.9	35%	0.35	63%	0.632	S	S	.	*	H	α-helix	trans	-74.5	-32.1	174	82.3	0	0	0	0	113.6	W236 L237 L242 L243 R244	W236-S240 PolarHBondContact O-N 3.18Å; L237-S240 WeakPolarHBondContact CA-OG 3.37Å; L237-S240 CarbonylContact O-C 3.49Å; L237-S240 WeakPolarHBondContact O-CA 3.28Å; L237-S240 WeakPolarHBondContact O-CB 3.23Å; L237-S240 PolarHBondContact O-N 3Å; L237-S240 PolarHBondContact O-OG 2.86Å; S240-L242 VanDerWaalsContact C-N 3.34Å; S240-L243 WeakPolarHBondContact O-CB 3.14Å; S240-L243 PolarHBondContact O-N 2.86Å; S240-L243 VanDerWaalsContact O-N 3.1Å; S240-R244 PolarHBondContact O-N 3.34Å
241	E	29.3	Very low	35.1	Very low	133 Å²	133	126.9 Å²	126.9	62%	0.621	62%	0.623	S	S	*	*	H	α-helix	trans	-73.1	-27.4	176.6	-71.5	-166.7	130.7	0	0	112.2	L237 L243 R244 C245	L237-E241 PolarHBondContact O-N 3.36Å; E241-L243 PolarHBondContact O-N 3.25Å; E241-R244 CarbonylContact O-C 3.48Å; E241-R244 WeakPolarHBondContact O-CA 3.39Å; E241-R244 PolarHBondContact O-N 3.26Å; E241-C245 PolarHBondContact O-N 3.1Å; E241-C245 VanDerWaalsContact O-N 3.11Å
242	L	29	Very low	36.7	Very low	135 Å²	135	124.4 Å²	124.4	71%	0.707	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-20.3	167.3	-78.3	174	0	0	0	113.4	S238 S240	S238-L242 PolarHBondContact O-N 3.28Å; S240-L242 VanDerWaalsContact C-N 3.34Å
243	L	30.4	Very low	38.6	Very low	164 Å²	164	121.3 Å²	121.3	86%	0.859	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-1.8	169.3	-78	164.7	0	0	0	113.6	S240 E241	S240-L243 WeakPolarHBondContact O-CB 3.14Å; S240-L243 PolarHBondContact O-N 2.86Å; S240-L243 VanDerWaalsContact O-N 3.1Å; E241-L243 PolarHBondContact O-N 3.25Å
244	R	25.8	Very low	40.6	Very low	223 Å²	223	123.2 Å²	123.2	84%	0.842	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	5.1	177.1	-145.5	177.9	-167.8	175.2	5.8	113.8	S240 E241 N246	S240-R244 PolarHBondContact O-N 3.34Å; E241-R244 CarbonylContact O-C 3.48Å; E241-R244 WeakPolarHBondContact O-CA 3.39Å; E241-R244 PolarHBondContact O-N 3.26Å; R244-N246 PolarHBondContact O-N 3.19Å
245	C	26.6	Very low	42.4	Very low	93 Å²	93	122.2 Å²	122.2	63%	0.628	58%	0.578	S	S	*	*	S	Bend	trans	-64.9	124.3	177.6	-168.2	0	0	0	0	111.1	E241 T247	E241-C245 PolarHBondContact O-N 3.1Å; E241-C245 VanDerWaalsContact O-N 3.11Å; C245-T247 PolarHBondContact O-N 3.26Å; C245-T247 VanDerWaalsContact O-N 3.07Å
246	N	28.8	Very low	44.4	Very low	150 Å²	150	114.3 Å²	114.3	80%	0.802	56%	0.556	S	S	*	*			trans	-27.6	104.5	-177	-78.1	-59.5	0	0	0	114.7	R244 R248	R244-N246 PolarHBondContact O-N 3.19Å; N246-R248 PolarHBondContact O-N 3.07Å
247	T	33.3	Very low	46.9	Very low	125 Å²	125	109.2 Å²	109.2	77%	0.767	54%	0.538	S	S	*	.			trans	-75.7	62.9	172.1	52.6	0	0	0	0	111.5	C245 V249	C245-T247 PolarHBondContact O-N 3.26Å; C245-T247 VanDerWaalsContact O-N 3.07Å; T247-V249 PolarHBondContact O-N 3.11Å; T247-V249 VanDerWaalsContact O-N 3.17Å
248	R	35.7	Very low	49.6	Very low	225 Å²	225	105.3 Å²	105.3	85%	0.849	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-52.9	121.1	156.6	-79.1	-175.6	171.7	177.7	-2.3	107	N246 K250	N246-R248 PolarHBondContact O-N 3.07Å; R248-K250 PolarHBondContact O-N 2.9Å
249	V	49.8	Very low	52.1	Low	19 Å²	19	102.6 Å²	102.6	12%	0.115	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-64	123.5	-168	-169	0	0	0	0	109.2	T247 H251 W259 L318 L348 L379	T247-V249 PolarHBondContact O-N 3.11Å; T247-V249 VanDerWaalsContact O-N 3.17Å; V249-H251 PolarHBondContact O-N 2.92Å; V249-W259 HydrophobicContact CG1-CH2 3.27Å; V249-W259 HydrophobicContact CG1-CZ2 3.5Å; V249-W259 HydrophobicContact CG1-CZ3 3.94Å; V249-L318 HydrophobicContact CB-CD1 4.19Å; V249-L318 HydrophobicContact CG1-CD1 3.48Å; V249-L318 VanDerWaalsContact CG1-CD1 3.48Å; V249-L348 VanDerWaalsContact CG2-O 3.24Å; V249-L348 WeakPolarHBondContact CG2-O 3.4Å; V249-L379 HydrophobicContact CG1-CD2 4.46Å; V249-L379 HydrophobicContact CG2-CD2 4.43Å
250	K	56.3	Low	54.9	Low	171 Å²	171	96.8 Å²	96.8	74%	0.743	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-64.4	138.1	176.8	-69.4	-174.2	178.4	-178.1	0	109	R248 F252 W259	R248-K250 PolarHBondContact O-N 2.9Å; K250-F252 CarbonylContact O-C 3.53Å; K250-F252 PolarHBondContact O-N 2.81Å; K250-W259 WeakPolarHBondContact O-CZ2 3.49Å
251	H	64.4	Low	57.7	Low	106 Å²	106	94.4 Å²	94.4	49%	0.491	45%	0.454	S	S	.	.	S	Bend	trans	-44.3	-39.3	179.6	-69.7	-70	0	0	0	113.7	V249 S317 L318 D319	V249-H251 PolarHBondContact O-N 2.92Å; H251-S317 VanDerWaalsContact O-CA 3.23Å; H251-S317 WeakPolarHBondContact O-CA 3.49Å; H251-S317 VanDerWaalsContact O-CB 3.28Å; H251-S317 WeakPolarHBondContact O-CB 3.48Å; H251-L318 PolarHBondContact O-N 3.03Å; H251-D319 WeakPolarHBondContact CB-OD1 3.11Å; H251-D319 IonicContact CE1-OD1 3.95Å; H251-D319 IonicContact CG-OD1 2.72Å; H251-D319 VanDerWaalsContact CG-OD1 3.28Å; H251-D319 IonicContact ND1-OD1 3.73Å; H251-D319 PolarHBondContact ND1-OD1 3.47Å
252	F	69.1	Low	60.7	Low	40 Å²	40	88.7 Å²	88.7	18%	0.175	43%	0.429	C	S	.	.	S	Bend	trans	-108.2	146.2	173	-62.6	-79.5	0	0	0	112	K250 W316 M399 K403 V406	K250-F252 CarbonylContact O-C 3.53Å; K250-F252 PolarHBondContact O-N 2.81Å; F252-W316 WeakPolarHBondContact CD1-O 3.39Å; F252-M399 HydrophobicContact CD1-CE 4.42Å; F252-M399 HydrophobicContact CD1-CG 4.5Å; F252-K403 HydrophobicContact CD1-CG 4.08Å; F252-K403 HydrophobicContact CD2-CG 4.46Å; F252-K403 HydrophobicContact CE1-CG 3.73Å; F252-K403 HydrophobicContact CE2-CG 4.14Å; F252-K403 HydrophobicContact CG-CG 4.43Å; F252-K403 HydrophobicContact CZ-CG 3.77Å; F252-V406 HydrophobicContact CE2-CG2 4.46Å; F252-V406 HydrophobicContact CZ-CG2 4.28Å
253	P	75.9	Confident	63.7	Low	8 Å²	8	82.3 Å²	82.3	5%	0.052	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-68.7	170.6	174.1	32.3	-34.8	0	0	0	111.2	Y257 W259 M399	P253-Y257 VanDerWaalsContact CG-O 3.29Å; P253-Y257 WeakPolarHBondContact CG-O 3.16Å; P253-W259 VanDerWaalsContact CA-CZ2 3.47Å; P253-W259 HydrophobicContact CB-CD2 4.02Å; P253-W259 HydrophobicContact CB-CG 4.35Å; P253-W259 HydrophobicContact CB-CH2 4.46Å; P253-W259 HydrophobicContact CB-CZ2 3.92Å; P253-W259 VanDerWaalsContact CD-NE1 3.34Å; P253-M399 HydrophobicContact CG-CE 4Å
254	R	75	Confident	66.7	Low	138 Å²	138	76.4 Å²	76.4	52%	0.521	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-57.9	142.9	170.7	-72.1	-170.9	-62.7	-68	-7.8	110.6	G256 Y257 E381	R254-G256 PolarHBondContact O-N 2.86Å; R254-Y257 HydrophobicContact CB-CD2 3.89Å; R254-Y257 HydrophobicContact CB-CG 4.49Å; R254-Y257 WeakPolarHBondContact O-CA 3.45Å; R254-Y257 WeakPolarHBondContact O-CB 3.39Å; R254-Y257 PolarHBondContact O-N 2.69Å; R254-E381 IonicContact CZ-OE1 2.95Å; R254-E381 IonicContact CZ-OE2 3.35Å; R254-E381 PolarHBondContact N-OE1 3.01Å; R254-E381 VanDerWaalsContact NH1-CD 3.32Å; R254-E381 IonicContact NH1-OE1 2.89Å; R254-E381 PolarHBondContact NH1-OE1 3.06Å; R254-E381 IonicContact NH1-OE2 3.9Å; R254-E381 PolarHBondContact NH1-OE2 3.08Å; R254-E381 VanDerWaalsContact NH2-CD 3.33Å; R254-E381 IonicContact NH2-OE1 3.28Å; R254-E381 IonicContact NH2-OE2 2.75Å; R254-E381 PolarHBondContact NH2-OE2 3.16Å
255	D	71.9	Confident	69.8	Low	128 Å²	128	65.8 Å²	65.8	68%	0.684	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	134.7	176.3	-66.3	-53.7	0	0	0	110	K403	D255-K403 IonicContact OD1-NZ 2.72Å; D255-K403 PolarHBondContact OD1-NZ 2.8Å
256	G	74.7	Confident	72.8	Confident	25 Å²	25	64.4 Å²	64.4	26%	0.258	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.3	2.6	-167.6	0	0	0	0	0	115.1	R254 S383 E384	R254-G256 PolarHBondContact O-N 2.86Å; G256-S383 WeakPolarHBondContact O-CA 3.33Å; G256-S383 PolarHBondContact O-OG 3.36Å; G256-E384 WeakPolarHBondContact O-CG 2.74Å; G256-E384 PolarHBondContact O-N 3Å
257	Y	84.1	Confident	75.9	Confident	81 Å²	81	59.8 Å²	59.8	32%	0.318	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	160.3	177.1	-63	-103	0	0	0	112.3	P253 R254 E381 I382	P253-Y257 VanDerWaalsContact CG-O 3.29Å; P253-Y257 WeakPolarHBondContact CG-O 3.16Å; R254-Y257 HydrophobicContact CB-CD2 3.89Å; R254-Y257 HydrophobicContact CB-CG 4.49Å; R254-Y257 WeakPolarHBondContact O-CA 3.45Å; R254-Y257 WeakPolarHBondContact O-CB 3.39Å; R254-Y257 PolarHBondContact O-N 2.69Å; Y257-E381 HydrophobicContact CD1-CB 4.17Å; Y257-I382 CarbonylContact C-O 3.56Å; Y257-I382 VanDerWaalsContact CA-O 3.32Å; Y257-I382 WeakPolarHBondContact CA-O 3.34Å
258	F	86.3	Confident	78.6	Confident	0 Å²	0	54 Å²	54	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.2	166.9	-73	-73.5	0	0	0	109.8	W316 I382 E384 I387 L395 K396 M399	F258-W316 HydrophobicContact CD1-CB 4.35Å; F258-W316 HydrophobicContact CE1-CB 4.27Å; F258-I382 HydrophobicContact CB-CG2 4.09Å; F258-I382 PolarHBondContact N-O 2.83Å; F258-I382 VanDerWaalsContact O-CG2 3.31Å; F258-I382 WeakPolarHBondContact O-CG2 3.49Å; F258-I382 PolarHBondContact O-N 2.95Å; F258-E384 HydrophobicContact CD2-CG 4.07Å; F258-E384 HydrophobicContact CE2-CG 3.81Å; F258-I387 HydrophobicContact CB-CD1 4.24Å; F258-I387 HydrophobicContact CD2-CD1 3.47Å; F258-I387 VanDerWaalsContact CD2-CD1 3.47Å; F258-I387 HydrophobicContact CE2-CD1 4.23Å; F258-I387 HydrophobicContact CG-CD1 4.23Å; F258-L395 HydrophobicContact CD1-CB 4.15Å; F258-L395 HydrophobicContact CD1-CD1 4.45Å; F258-L395 HydrophobicContact CD2-CD1 4.28Å; F258-L395 HydrophobicContact CE1-CB 3.54Å; F258-L395 HydrophobicContact CE2-CB 4.04Å; F258-L395 HydrophobicContact CE2-CD1 4.34Å; F258-L395 HydrophobicContact CG-CD1 4.31Å; F258-L395 HydrophobicContact CZ-CB 3.45Å; F258-L395 VanDerWaalsContact CZ-CB 3.45Å; F258-L395 HydrophobicContact CZ-CD1 4.5Å; F258-K396 HydrophobicContact CE2-CG 4.45Å; F258-K396 HydrophobicContact CZ-CG 3.84Å; F258-M399 HydrophobicContact CE1-SD 3.92Å
259	W	85.9	Confident	81	Confident	9 Å²	9	44.3 Å²	44.3	3%	0.034	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	136.9	169.9	-59.6	116.8	0	0	0	110.1	V249 K250 P253 R314 L315 L318 L350 L379 E381	V249-W259 HydrophobicContact CG1-CH2 3.27Å; V249-W259 HydrophobicContact CG1-CZ2 3.5Å; V249-W259 HydrophobicContact CG1-CZ3 3.94Å; K250-W259 WeakPolarHBondContact O-CZ2 3.49Å; P253-W259 VanDerWaalsContact CA-CZ2 3.47Å; P253-W259 HydrophobicContact CB-CD2 4.02Å; P253-W259 HydrophobicContact CB-CG 4.35Å; P253-W259 HydrophobicContact CB-CH2 4.46Å; P253-W259 HydrophobicContact CB-CZ2 3.92Å; P253-W259 VanDerWaalsContact CD-NE1 3.34Å; W259-R314 CarbonylContact O-C 3.37Å; W259-R314 VanDerWaalsContact O-CA 3.29Å; W259-R314 WeakPolarHBondContact O-CA 3.47Å; W259-L315 HydrophobicContact CB-CB 4.22Å; W259-L315 PolarHBondContact N-O 3.39Å; W259-L315 PolarHBondContact O-N 2.95Å; W259-L318 HydrophobicContact CB-CD2 3.98Å; W259-L318 VanDerWaalsContact CD1-CD2 3.49Å; W259-L318 HydrophobicContact CD2-CD1 4.03Å; W259-L318 HydrophobicContact CD2-CD2 4.09Å; W259-L318 HydrophobicContact CD2-CG 4.15Å; W259-L318 HydrophobicContact CG-CD1 4.39Å; W259-L318 HydrophobicContact CG-CD2 3.59Å; W259-L318 HydrophobicContact CG-CG 4.01Å; W259-L318 HydrophobicContact CZ2-CD1 4.09Å; W259-L350 HydrophobicContact CE3-CD2 4.35Å; W259-L350 HydrophobicContact CZ3-CD2 3.8Å; W259-L379 HydrophobicContact CB-CD1 4.14Å; W259-L379 HydrophobicContact CD2-CD1 4.3Å; W259-L379 HydrophobicContact CE3-CD1 3.94Å; W259-L379 HydrophobicContact CE3-CG 4.33Å; W259-L379 HydrophobicContact CG-CD1 4.42Å; W259-E381 HydrophobicContact CE3-CG 3.53Å; W259-E381 HydrophobicContact CH2-CG 4.11Å; W259-E381 HydrophobicContact CZ3-CG 3.27Å
260	S	89.7	Confident	82.6	Confident	10 Å²	10	50.4 Å²	50.4	7%	0.07	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.4	170.9	172.8	0	0	0	0	107.8	S380	S260-S380 PolarHBondContact N-O 3.05Å; S260-S380 PolarHBondContact O-N 2.93Å
261	V	90	Very high	84	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.6	178.7	176.5	0	0	0	0	109.2	W312 F313 L315 I322 L345 V377 T378 L379	V261-W312 WeakPolarHBondContact O-CA 3.44Å; V261-F313 HydrophobicContact CB-CD2 3.9Å; V261-F313 HydrophobicContact CB-CE2 3.46Å; V261-F313 VanDerWaalsContact CB-CE2 3.46Å; V261-F313 HydrophobicContact CB-CZ 4.17Å; V261-F313 HydrophobicContact CG1-CD2 4.38Å; V261-F313 HydrophobicContact CG1-CE2 3.47Å; V261-F313 VanDerWaalsContact CG1-CE2 3.47Å; V261-F313 HydrophobicContact CG1-CZ 3.74Å; V261-F313 HydrophobicContact CG2-CE2 4.33Å; V261-F313 PolarHBondContact N-O 3.03Å; V261-F313 PolarHBondContact O-N 3.02Å; V261-F313 VanDerWaalsContact O-N 3.07Å; V261-L315 HydrophobicContact CG2-CD1 3.95Å; V261-I322 HydrophobicContact CG1-CD1 4.37Å; V261-L345 HydrophobicContact CG1-CD2 4.46Å; V261-L345 HydrophobicContact CG2-CD1 4.28Å; V261-L345 HydrophobicContact CG2-CD2 4.44Å; V261-V377 HydrophobicContact CG1-CG1 3.9Å; V261-T378 WeakPolarHBondContact CA-O 3.47Å; V261-L379 HydrophobicContact CG2-CD1 3.67Å
262	A	91.3	Very high	84.9	Confident	12 Å²	12	40.4 Å²	40.4	10%	0.099	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.9	167.2	0	0	0	0	0	109.7	F311 W312 V377 T378	A262-F311 CarbonylContact C-O 3.6Å; A262-F311 WeakPolarHBondContact CA-O 3.32Å; A262-W312 HydrophobicContact CB-CD2 3.82Å; A262-W312 HydrophobicContact CB-CE3 3.45Å; A262-W312 VanDerWaalsContact CB-CE3 3.45Å; A262-W312 HydrophobicContact CB-CH2 3.69Å; A262-W312 HydrophobicContact CB-CZ2 4.03Å; A262-W312 HydrophobicContact CB-CZ3 3.39Å; A262-V377 WeakPolarHBondContact O-CA 3.41Å; A262-T378 WeakPolarHBondContact CB-OG1 3.33Å; A262-T378 PolarHBondContact N-O 2.85Å; A262-T378 PolarHBondContact O-N 3.4Å
263	L	93.2	Very high	85	Confident	1 Å²	1	42 Å²	42	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.4	178	170.7	66	0	0	0	109	I265 I286 K310 F311 F313 L324 F343 F375 Y376 V377	L263-I265 HydrophobicContact CD1-CG1 4.4Å; L263-I265 HydrophobicContact CD2-CD1 4.24Å; L263-I265 HydrophobicContact CD2-CG1 4.22Å; L263-I265 HydrophobicContact CG-CG1 4.03Å; L263-I286 HydrophobicContact CD2-CD1 3.87Å; L263-I286 HydrophobicContact CD2-CG1 3.9Å; L263-I286 HydrophobicContact CD2-CG2 4.08Å; L263-K310 CarbonylContact O-C 3.58Å; L263-K310 WeakPolarHBondContact O-CA 3.44Å; L263-F311 PolarHBondContact N-O 3.18Å; L263-F311 PolarHBondContact O-N 3.32Å; L263-F313 HydrophobicContact CB-CE1 3.77Å; L263-F313 HydrophobicContact CB-CZ 3.85Å; L263-F313 HydrophobicContact CD2-CE1 4.11Å; L263-F313 HydrophobicContact CD2-CZ 4.27Å; L263-L324 HydrophobicContact CD2-CD2 3.77Å; L263-F343 HydrophobicContact CD1-CE1 4.42Å; L263-F343 HydrophobicContact CD1-CZ 4.08Å; L263-F375 HydrophobicContact CD1-CB 4.14Å; L263-F375 HydrophobicContact CD1-CD2 3.47Å; L263-F375 VanDerWaalsContact CD1-CD2 3.47Å; L263-F375 HydrophobicContact CD1-CE2 4.21Å; L263-F375 HydrophobicContact CD1-CG 4.11Å; L263-Y376 WeakPolarHBondContact CA-O 3.47Å; L263-V377 HydrophobicContact CD1-CG2 4.11Å
264	F	92.3	Very high	84.6	Confident	41 Å²	41	44.3 Å²	44.3	18%	0.18	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.3	176.7	176.3	-140.8	0	0	0	110.4	K266 D308 K310 F375 Y376	F264-K266 PolarHBondContact O-N 3.4Å; F264-D308 HydrophobicContact CE2-CB 4.24Å; F264-D308 HydrophobicContact CZ-CB 4.5Å; F264-K310 HydrophobicContact CB-CG 4.11Å; F264-K310 HydrophobicContact CD2-CG 3.6Å; F264-K310 HydrophobicContact CE2-CG 4.34Å; F264-K310 HydrophobicContact CG-CG 4.05Å; F264-F375 CarbonylContact O-C 3.39Å; F264-F375 WeakPolarHBondContact O-CA 3.23Å; F264-F375 WeakPolarHBondContact O-CB 3.43Å; F264-Y376 AromaticContact CD1-CD2 3.48Å; F264-Y376 HydrophobicContact CD1-CD2 3.48Å; F264-Y376 VanDerWaalsContact CD1-CD2 3.48Å; F264-Y376 HydrophobicContact CD1-CE2 4.12Å; F264-Y376 HydrophobicContact CD1-CG 4.25Å; F264-Y376 HydrophobicContact CE1-CD2 4.05Å; F264-Y376 HydrophobicContact CE1-CE2 4.23Å; F264-Y376 HydrophobicContact CG-CD2 4.32Å; F264-Y376 PolarHBondContact N-O 3.44Å; F264-Y376 PolarHBondContact O-N 3.15Å
265	I	92	Very high	84	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	105.7	176.9	-56.5	-176.1	0	0	0	108.4	L263 V284 I286 W307 D308 E309 F311 I373	L263-I265 HydrophobicContact CD1-CG1 4.4Å; L263-I265 HydrophobicContact CD2-CD1 4.24Å; L263-I265 HydrophobicContact CD2-CG1 4.22Å; L263-I265 HydrophobicContact CG-CG1 4.03Å; I265-V284 HydrophobicContact CD1-CB 3.99Å; I265-V284 HydrophobicContact CD1-CG1 3.93Å; I265-V284 HydrophobicContact CD1-CG2 4.25Å; I265-V284 HydrophobicContact CG2-CG2 4.25Å; I265-I286 HydrophobicContact CD1-CD1 4Å; I265-I286 HydrophobicContact CD1-CG1 4.16Å; I265-W307 HydrophobicContact CG2-CB 4.33Å; I265-W307 HydrophobicContact CG2-CD2 4.13Å; I265-W307 HydrophobicContact CG2-CE3 3.58Å; I265-W307 HydrophobicContact CG2-CG 4.47Å; I265-W307 HydrophobicContact CG2-CZ3 4.19Å; I265-D308 WeakPolarHBondContact O-CA 3.36Å; I265-D308 PolarHBondContact O-N 2.94Å; I265-E309 PolarHBondContact N-O 2.84Å; I265-E309 PolarHBondContact O-N 2.82Å; I265-F311 HydrophobicContact CD1-CD2 4.24Å; I265-F311 HydrophobicContact CD1-CE2 3.95Å; I265-F311 HydrophobicContact CG1-CD2 4.36Å; I265-F311 HydrophobicContact CG1-CE2 4.26Å; I265-I373 HydrophobicContact CG2-CD1 4.22Å
266	K	90.1	Very high	83.5	Confident	63 Å²	63	40 Å²	40	27%	0.274	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	-69	-178.8	-178.2	177.7	-98.9	171.9	0	110.8	F264 W307 D308 K374 Y376	F264-K266 PolarHBondContact O-N 3.4Å; K266-W307 PolarHBondContact O-N 3.22Å; K266-D308 WeakPolarHBondContact CG-OD1 3.26Å; K266-D308 PolarHBondContact O-N 3.39Å; K266-D308 VanDerWaalsContact O-N 3.07Å; K266-K374 WeakPolarHBondContact CB-O 2.96Å; K266-K374 PolarHBondContact N-O 3.12Å; K266-K374 VanDerWaalsContact N-O 3.11Å; K266-Y376 HydrophobicContact CB-CE2 4.16Å; K266-Y376 HydrophobicContact CD-CE2 3.96Å; K266-Y376 PolarHBondContact NZ-OH 3.07Å
267	L	92.2	Very high	82.8	Confident	54 Å²	54	47.3 Å²	47.3	28%	0.283	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	159.2	-172.9	64.3	83.3	0	0	0	113.6	A269 P305 V306 K374	L267-A269 HydrophobicContact CD1-CB 4.42Å; L267-P305 CarbonylContact C-O 3.54Å; L267-P305 VanDerWaalsContact CA-O 3.23Å; L267-P305 WeakPolarHBondContact CA-O 3.44Å; L267-P305 VanDerWaalsContact CB-O 3.32Å; L267-P305 WeakPolarHBondContact CB-O 3.31Å; L267-V306 HydrophobicContact CB-CB 4.45Å; L267-V306 HydrophobicContact CB-CG2 4.07Å; L267-K374 HydrophobicContact CD1-CB 4.18Å; L267-K374 HydrophobicContact CG-CB 4.33Å; L267-K374 PolarHBondContact N-O 2.72Å; L267-K374 PolarHBondContact O-N 3.44Å
268	G	90.2	Very high	81.9	Confident	2 Å²	2	45.6 Å²	45.6	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	151.5	162.1	0	0	0	0	0	110.4	N304 P305 W307 E372	G268-N304 CarbonylContact O-C 3.55Å; G268-N304 VanDerWaalsContact O-CA 3.26Å; G268-N304 WeakPolarHBondContact O-CA 3.26Å; G268-P305 PolarHBondContact N-O 2.71Å; G268-P305 WeakPolarHBondContact O-CD 2.94Å; G268-W307 VanDerWaalsContact N-CZ3 3.32Å; G268-E372 CarbonylContact C-O 3.35Å; G268-E372 VanDerWaalsContact CA-O 3.3Å; G268-E372 WeakPolarHBondContact CA-O 3.41Å
269	A	87.7	Confident	81	Confident	23 Å²	23	51.2 Å²	51.2	19%	0.19	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.1	177	0	0	0	0	0	110.7	L267 L271 N304 G371 E372	L267-A269 HydrophobicContact CD1-CB 4.42Å; A269-L271 PolarHBondContact O-N 3.14Å; A269-L271 VanDerWaalsContact O-N 3.12Å; A269-N304 WeakPolarHBondContact CA-OD1 3.29Å; A269-G371 WeakPolarHBondContact O-CA 3.33Å; A269-E372 HydrophobicContact CB-CB 4.43Å; A269-E372 PolarHBondContact N-O 3.49Å; A269-E372 PolarHBondContact O-N 3.08Å
270	K	83.5	Confident	80.7	Confident	146 Å²	146	50.8 Å²	50.8	64%	0.635	28%	0.281	S	S	*	.	S	Bend	trans	52.4	33.5	174	-53	169.4	-168.9	150.2	0	114.2	V272 C303 N304 G371 E372	K270-V272 PolarHBondContact O-N 2.93Å; K270-C303 PolarHBondContact N-O 2.95Å; K270-N304 PolarHBondContact N-OD1 3.13Å; K270-G371 WeakPolarHBondContact O-CA 3.29Å; K270-E372 IonicContact NZ-OE2 3.75Å; K270-E372 PolarHBondContact NZ-OE2 2.81Å; K270-E372 VanDerWaalsContact NZ-OE2 3.15Å
271	L	85.1	Confident	80.6	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.016	28%	0.283	C	S	.	.			trans	-63	132.8	179.5	-58.7	-173.9	0	0	0	110.8	A269 P282 C303 P305 W307 V326 I338 L360	A269-L271 PolarHBondContact O-N 3.14Å; A269-L271 VanDerWaalsContact O-N 3.12Å; L271-P282 HydrophobicContact CD1-CB 3.57Å; L271-P282 HydrophobicContact CD1-CG 3.88Å; L271-C303 WeakPolarHBondContact CB-O 3.4Å; L271-C303 WeakPolarHBondContact CG-O 3.31Å; L271-C303 PolarHBondContact N-O 3.03Å; L271-C303 WeakPolarHBondContact O-CB 2.97Å; L271-P305 HydrophobicContact CD1-CG 3.6Å; L271-W307 HydrophobicContact CD1-CH2 4.45Å; L271-V326 HydrophobicContact CD1-CG1 4.25Å; L271-I338 HydrophobicContact CB-CG2 4.49Å; L271-L360 HydrophobicContact CD2-CD1 3.45Å; L271-L360 VanDerWaalsContact CD2-CD1 3.45Å
272	V	82.1	Confident	80.6	Confident	64 Å²	64	51.4 Å²	51.4	39%	0.388	28%	0.283	S	S	.	.			trans	-65	127.8	-175.5	168.5	0	0	0	0	112	K270 T274 S370	K270-V272 PolarHBondContact O-N 2.93Å; V272-T274 PolarHBondContact O-N 2.94Å; V272-T274 VanDerWaalsContact O-N 3.08Å; V272-T274 PolarHBondContact O-OG1 2.88Å; V272-S370 PolarHBondContact N-O 3.48Å; V272-S370 VanDerWaalsContact N-O 3.14Å
273	P	71.5	Confident	80.6	Confident	74 Å²	74	51.4 Å²	51.4	48%	0.481	28%	0.281	S	S	.	.			trans	-64.3	106.3	177.1	-22.5	33.8	0	0	0	113.3	S275 T280	P273-S275 VanDerWaalsContact C-N 3.32Å; P273-T280 HydrophobicContact CB-CG2 4.49Å
274	T	67.6	Low	80.6	Confident	57 Å²	57	51.4 Å²	51.4	35%	0.35	28%	0.281	S	S	.	.			trans	-84.9	-2.3	-179.8	-7.5	0	0	0	0	114.1	V272	V272-T274 PolarHBondContact O-N 2.94Å; V272-T274 VanDerWaalsContact O-N 3.08Å; V272-T274 PolarHBondContact O-OG1 2.88Å
275	S	63.4	Low	80.7	Confident	36 Å²	36	51.4 Å²	51.4	25%	0.252	28%	0.28	S	S	.	.	S	Bend	trans	-115.7	136.2	-179.4	-177.2	0	0	0	0	110.6	P273 K277 G278 K279	P273-S275 VanDerWaalsContact C-N 3.32Å; S275-K277 PolarHBondContact O-N 2.86Å; S275-G278 PolarHBondContact O-N 3.06Å; S275-K279 WeakPolarHBondContact CB-O 3.45Å
276	P	59.8	Low	80.8	Confident	138 Å²	138	51.4 Å²	51.4	90%	0.896	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-2.6	-178.9	27.9	-36.3	0	0	0	114.4
277	K	61.7	Low	80.8	Confident	179 Å²	179	50.4 Å²	50.4	78%	0.778	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	16.5	172	-61.9	-171.5	177.8	-175.9	0	113.3	S275 K279	S275-K277 PolarHBondContact O-N 2.86Å; K277-K279 PolarHBondContact O-N 3.44Å; K277-K279 VanDerWaalsContact O-N 3.14Å
278	G	64	Low	80.5	Confident	45 Å²	45	48 Å²	48	46%	0.464	26%	0.263	S	S	.	.	S	Bend	trans	69	7	177.2	0	0	0	0	0	115.6	S275	S275-G278 PolarHBondContact O-N 3.06Å
279	K	67	Low	80.1	Confident	119 Å²	119	50.4 Å²	50.4	52%	0.517	28%	0.276	S	S	.	.			trans	-102	122.2	-173.6	-74.4	176.5	175.6	-168.5	0	111.4	S275 K277 N301	S275-K279 WeakPolarHBondContact CB-O 3.45Å; K277-K279 PolarHBondContact O-N 3.44Å; K277-K279 VanDerWaalsContact O-N 3.14Å; K279-N301 WeakPolarHBondContact CB-OD1 3.34Å; K279-N301 WeakPolarHBondContact CD-OD1 3.38Å; K279-N301 WeakPolarHBondContact CG-OD1 3.48Å
280	T	79.6	Confident	79.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.3	C	S	.	.			trans	-116.9	138.1	176.7	42.4	0	0	0	0	110.7	P273 P282 N301 S302 C303	P273-T280 HydrophobicContact CB-CG2 4.49Å; T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.34Å; T280-N301 CarbonylContact O-C 3.49Å; T280-N301 WeakPolarHBondContact O-CA 3.38Å; T280-N301 PolarHBondContact O-N 2.8Å; T280-S302 PolarHBondContact O-N 3.07Å; T280-S302 VanDerWaalsContact OG1-C 3.23Å; T280-S302 PolarHBondContact OG1-O 2.87Å; T280-C303 PolarHBondContact OG1-N 2.92Å; T280-C303 PolarHBondContact OG1-SG 3.02Å
281	N	88.2	Confident	79.6	Confident	22 Å²	22	47.7 Å²	47.7	12%	0.118	29%	0.285	C	S	.	.			trans	-115.4	74.5	171.9	-52.9	-40.5	0	0	0	109.7	M298 I299 P300 N301 H328 R329	N281-M298 HydrophobicContact CB-CG 3.83Å; N281-M298 HydrophobicContact CB-SD 3.8Å; N281-I299 CarbonylContact C-O 3.33Å; N281-I299 VanDerWaalsContact CA-O 3.24Å; N281-I299 WeakPolarHBondContact CA-O 3.36Å; N281-P300 WeakPolarHBondContact OD1-CA 3.34Å; N281-N301 PolarHBondContact OD1-N 2.79Å; N281-H328 PolarHBondContact N-CE1 2.76Å; N281-H328 PolarHBondContact N-ND1 3.39Å; N281-H328 VanDerWaalsContact N-ND1 3.1Å; N281-H328 WeakPolarHBondContact O-CA 3.36Å; N281-R329 WeakPolarHBondContact CB-O 3.5Å; N281-R329 PolarHBondContact ND2-O 2.72Å; N281-R329 PolarHBondContact O-N 3.32Å
282	P	89.9	Confident	79.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141	-172.7	32	-39.9	0	0	0	113.4	L271 T280 I299 S302 P305 W307 V326 Y327 I338	L271-P282 HydrophobicContact CD1-CB 3.57Å; L271-P282 HydrophobicContact CD1-CG 3.88Å; T280-P282 VanDerWaalsContact O-CD 3.27Å; T280-P282 WeakPolarHBondContact O-CD 3.34Å; P282-I299 VanDerWaalsContact CD-O 3.26Å; P282-I299 WeakPolarHBondContact CD-O 3.48Å; P282-I299 PolarHBondContact O-N 2.88Å; P282-I299 VanDerWaalsContact O-N 3.09Å; P282-S302 WeakPolarHBondContact CD-O 3.45Å; P282-S302 VanDerWaalsContact CG-O 3.3Å; P282-S302 WeakPolarHBondContact CG-O 3.38Å; P282-P305 HydrophobicContact CB-CG 4.21Å; P282-P305 HydrophobicContact CG-CB 3.65Å; P282-P305 HydrophobicContact CG-CG 3.55Å; P282-W307 HydrophobicContact CB-CZ2 4.03Å; P282-W307 HydrophobicContact CG-CZ2 4.41Å; P282-V326 HydrophobicContact CB-CG1 4.18Å; P282-Y327 CarbonylContact C-O 3.58Å; P282-Y327 VanDerWaalsContact CA-O 3.31Å; P282-Y327 WeakPolarHBondContact CA-O 3.31Å; P282-I338 HydrophobicContact CB-CD1 4.2Å
283	Y	92.8	Very high	79.8	Confident	13 Å²	13	50.4 Å²	50.4	5%	0.051	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	155	164.3	79.2	-89.7	0	0	0	110.2	K285 R295 V326 Y327 R329 D335	Y283-K285 HydrophobicContact CE2-CB 4.25Å; Y283-R295 HydrophobicContact CD2-CB 4.5Å; Y283-V326 WeakPolarHBondContact O-CA 3.24Å; Y283-Y327 WeakPolarHBondContact CD1-O 3.43Å; Y283-Y327 HydrophobicContact CE1-CG 4.44Å; Y283-Y327 HydrophobicContact CE2-CD2 4.4Å; Y283-Y327 PolarHBondContact N-O 2.94Å; Y283-Y327 PolarHBondContact O-N 3.38Å; Y283-R329 HydrophobicContact CD1-CB 3.94Å; Y283-R329 HydrophobicContact CE1-CB 4Å; Y283-D335 PolarHBondContact OH-OD2 2.93Å; Y283-D335 VanDerWaalsContact OH-OD2 3.05Å
284	V	93.2	Very high	80.6	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	141.2	178.9	-165.5	0	0	0	0	110.2	I265 R295 S296 W307 L324 K325 V326 I373	I265-V284 HydrophobicContact CD1-CB 3.99Å; I265-V284 HydrophobicContact CD1-CG1 3.93Å; I265-V284 HydrophobicContact CD1-CG2 4.25Å; I265-V284 HydrophobicContact CG2-CG2 4.25Å; V284-R295 CarbonylContact O-C 3.5Å; V284-R295 VanDerWaalsContact O-CA 3.26Å; V284-R295 WeakPolarHBondContact O-CA 3.3Å; V284-S296 PolarHBondContact N-OG 2.71Å; V284-S296 PolarHBondContact O-N 3Å; V284-W307 HydrophobicContact CG2-CD2 4.17Å; V284-W307 HydrophobicContact CG2-CE3 4.17Å; V284-W307 HydrophobicContact CG2-CH2 3.52Å; V284-W307 HydrophobicContact CG2-CZ2 3.52Å; V284-W307 HydrophobicContact CG2-CZ3 3.85Å; V284-L324 HydrophobicContact CG1-CB 4.1Å; V284-L324 HydrophobicContact CG1-CD2 4.49Å; V284-K325 CarbonylContact C-O 3.47Å; V284-V326 HydrophobicContact CG2-CG2 4.39Å; V284-I373 HydrophobicContact CG1-CD1 4.41Å; V284-I373 HydrophobicContact CG2-CD1 3.93Å
285	K	93.5	Very high	81.8	Confident	41 Å²	41	52.4 Å²	52.4	18%	0.178	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	111.2	175.8	-175.5	172.1	-178.5	-179.6	0	108.4	Y283 V292 R295 K325 Y327	Y283-K285 HydrophobicContact CE2-CB 4.25Å; K285-V292 HydrophobicContact CG-CG1 4.02Å; K285-R295 HydrophobicContact CG-CG 4.27Å; K285-K325 PolarHBondContact N-O 3.32Å; K285-K325 PolarHBondContact O-N 3.19Å; K285-Y327 HydrophobicContact CB-CD2 4.05Å; K285-Y327 HydrophobicContact CB-CE2 3.95Å; K285-Y327 HydrophobicContact CD-CD2 4.32Å; K285-Y327 HydrophobicContact CD-CE2 3.75Å; K285-Y327 HydrophobicContact CG-CE2 4.47Å
286	I	93.9	Very high	83.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	131.6	-175.2	-58.6	150.6	0	0	0	108.5	L263 I265 L293 A294 F311 F313 I322 L324	L263-I286 HydrophobicContact CD2-CD1 3.87Å; L263-I286 HydrophobicContact CD2-CG1 3.9Å; L263-I286 HydrophobicContact CD2-CG2 4.08Å; I265-I286 HydrophobicContact CD1-CD1 4Å; I265-I286 HydrophobicContact CD1-CG1 4.16Å; I286-L293 HydrophobicContact CG2-CB 4.21Å; I286-L293 HydrophobicContact CG2-CD1 4.26Å; I286-L293 PolarHBondContact O-N 3.17Å; I286-A294 HydrophobicContact CB-CB 4.48Å; I286-A294 HydrophobicContact CD1-CB 3.88Å; I286-A294 PolarHBondContact N-O 3.43Å; I286-A294 PolarHBondContact O-N 2.89Å; I286-F311 HydrophobicContact CD1-CB 4.15Å; I286-F311 HydrophobicContact CD1-CD1 3.96Å; I286-F311 HydrophobicContact CD1-CD2 3.45Å; I286-F311 VanDerWaalsContact CD1-CD2 3.45Å; I286-F311 HydrophobicContact CD1-CE1 4.29Å; I286-F311 HydrophobicContact CD1-CE2 3.82Å; I286-F311 HydrophobicContact CD1-CG 3.54Å; I286-F311 HydrophobicContact CD1-CZ 4.23Å; I286-F313 HydrophobicContact CG2-CE1 4.22Å; I286-I322 HydrophobicContact CG2-CG2 4.02Å; I286-L324 HydrophobicContact CB-CD2 4.24Å; I286-L324 HydrophobicContact CG1-CD2 3.74Å; I286-L324 HydrophobicContact CG2-CD2 4.1Å
287	K	90	Very high	84.6	Confident	43 Å²	43	49 Å²	49	19%	0.187	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.2	179.8	-80.7	170.8	155.3	-159.6	0	112.2	S291 V292 I322 E323	K287-S291 CarbonylContact C-O 3.59Å; K287-S291 WeakPolarHBondContact CA-O 3.28Å; K287-S291 WeakPolarHBondContact CB-O 3.22Å; K287-V292 HydrophobicContact CG-CG2 4.03Å; K287-I322 WeakPolarHBondContact O-CA 3.16Å; K287-E323 HydrophobicContact CB-CB 4.15Å; K287-E323 WeakPolarHBondContact CD-OE2 3.37Å; K287-E323 PolarHBondContact N-O 3.24Å; K287-E323 IonicContact NZ-OE2 3.25Å; K287-E323 PolarHBondContact NZ-OE2 3.26Å; K287-E323 PolarHBondContact O-N 2.78Å
288	H	86	Confident	85.9	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	135.2	169.4	175.3	-97.1	0	0	0	109.2	G290 S291 L293 L315 W316 M320	H288-G290 PolarHBondContact O-N 3.02Å; H288-S291 PolarHBondContact N-O 2.94Å; H288-S291 WeakPolarHBondContact O-CB 3.44Å; H288-S291 PolarHBondContact O-N 2.79Å; H288-L293 HydrophobicContact CB-CD1 3.63Å; H288-L293 HydrophobicContact CB-CD2 4.39Å; H288-L293 HydrophobicContact CB-CG 4.06Å; H288-L315 HydrophobicContact CB-CD2 4.36Å; H288-W316 AromaticContact ND1-CH2 3.88Å; H288-M320 PolarHBondContact CD2-O 2.96Å; H288-M320 VanDerWaalsContact CD2-O 3.26Å; H288-M320 PolarHBondContact NE2-O 3.01Å
289	N	82.3	Confident	87	Confident	53 Å²	53	42.5 Å²	42.5	28%	0.283	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.8	60.5	-176.9	-166.2	-12.3	0	0	0	112.3	S291 W316 M320 E402	N289-S291 PolarHBondContact O-N 3.06Å; N289-S291 PolarHBondContact O-OG 3.33Å; N289-W316 HydrophobicContact CB-CZ2 4.23Å; N289-M320 HydrophobicContact CB-CB 4.28Å; N289-M320 HydrophobicContact CB-CG 4.13Å; N289-E402 PolarHBondContact ND2-OE2 3.36Å; N289-E402 VanDerWaalsContact ND2-OE2 3.16Å
290	G	77.3	Confident	87.9	Confident	68 Å²	68	40.1 Å²	40.1	70%	0.701	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.7	-28	-176.7	0	0	0	0	0	116.5	H288	H288-G290 PolarHBondContact O-N 3.02Å
291	S	82	Confident	88	Confident	45 Å²	45	44.7 Å²	44.7	32%	0.315	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	139.6	-174	-54.5	0	0	0	0	111.1	K287 H288 N289	K287-S291 CarbonylContact C-O 3.59Å; K287-S291 WeakPolarHBondContact CA-O 3.28Å; K287-S291 WeakPolarHBondContact CB-O 3.22Å; H288-S291 PolarHBondContact N-O 2.94Å; H288-S291 WeakPolarHBondContact O-CB 3.44Å; H288-S291 PolarHBondContact O-N 2.79Å; N289-S291 PolarHBondContact O-N 3.06Å; N289-S291 PolarHBondContact O-OG 3.33Å
292	V	86.4	Confident	87.8	Confident	64 Å²	64	45.2 Å²	45.2	39%	0.388	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	119.2	172.1	-177.9	0	0	0	0	108.5	K285 K287 R295	K285-V292 HydrophobicContact CG-CG1 4.02Å; K287-V292 HydrophobicContact CG-CG2 4.03Å; V292-R295 HydrophobicContact CG1-CG 4.46Å
293	L	85.8	Confident	87.5	Confident	59 Å²	59	46.8 Å²	46.8	31%	0.309	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-50.1	177.9	-62.5	-179.9	0	0	0	111.1	I286 H288 F313 L315	I286-L293 HydrophobicContact CG2-CB 4.21Å; I286-L293 HydrophobicContact CG2-CD1 4.26Å; I286-L293 PolarHBondContact O-N 3.17Å; H288-L293 HydrophobicContact CB-CD1 3.63Å; H288-L293 HydrophobicContact CB-CD2 4.39Å; H288-L293 HydrophobicContact CB-CG 4.06Å; L293-F313 HydrophobicContact CD1-CB 4.13Å; L293-F313 HydrophobicContact CD1-CD1 4.1Å; L293-F313 HydrophobicContact CD1-CD2 3.71Å; L293-F313 HydrophobicContact CD1-CE1 4.48Å; L293-F313 HydrophobicContact CD1-CE2 4.11Å; L293-F313 HydrophobicContact CD1-CG 3.71Å; L293-F313 HydrophobicContact CD1-CZ 4.49Å; L293-L315 HydrophobicContact CD1-CD2 4.38Å
294	A	89.1	Confident	87.3	Confident	25 Å²	25	50.8 Å²	50.8	21%	0.207	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	173	-174.9	0	0	0	0	0	112.2	I286 F311	I286-A294 HydrophobicContact CB-CB 4.48Å; I286-A294 HydrophobicContact CD1-CB 3.88Å; I286-A294 PolarHBondContact N-O 3.43Å; I286-A294 PolarHBondContact O-N 2.89Å; A294-F311 HydrophobicContact CB-CD1 3.56Å; A294-F311 HydrophobicContact CB-CE1 4.01Å; A294-F311 HydrophobicContact CB-CG 4.31Å
295	R	91.6	Very high	87.1	Confident	148 Å²	148	50.8 Å²	50.8	56%	0.558	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	142	171.5	-53.7	-177.5	-161.3	-178.4	9.3	108.8	Y283 V284 K285 V292	Y283-R295 HydrophobicContact CD2-CB 4.5Å; V284-R295 CarbonylContact O-C 3.5Å; V284-R295 VanDerWaalsContact O-CA 3.26Å; V284-R295 WeakPolarHBondContact O-CA 3.3Å; K285-R295 HydrophobicContact CG-CG 4.27Å; V292-R295 HydrophobicContact CG1-CG 4.46Å
296	S	91.3	Very high	87	Confident	13 Å²	13	51.3 Å²	51.3	9%	0.091	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-77.1	169	173.6	77.8	0	0	0	0	112.6	V284 W307 E309	V284-S296 PolarHBondContact N-OG 2.71Å; V284-S296 PolarHBondContact O-N 3Å; S296-W307 PolarHBondContact OG-NE1 3.36Å; S296-E309 WeakPolarHBondContact CA-OE2 3.38Å; S296-E309 VanDerWaalsContact CB-OE2 3.28Å; S296-E309 WeakPolarHBondContact CB-OE2 3.5Å
297	R	90.5	Very high	86.7	Confident	90 Å²	90	51.5 Å²	51.5	34%	0.34	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-61.2	154.6	162.2	-55.9	172.9	-70.4	-156.6	-0	109.6	W307 E309 T669	R297-W307 PolarHBondContact NH2-O 3.22Å; R297-W307 PolarHBondContact O-NE1 3Å; R297-E309 WeakPolarHBondContact CB-OE1 3.29Å; R297-E309 WeakPolarHBondContact CG-OE1 3.47Å; R297-E309 IonicContact CZ-OE1 3.45Å; R297-E309 PolarHBondContact N-OE1 3.16Å; R297-E309 PolarHBondContact N-OE2 3.03Å; R297-E309 VanDerWaalsContact NE-CD 3.29Å; R297-E309 IonicContact NE-OE1 3.79Å; R297-E309 PolarHBondContact NE-OE1 2.91Å; R297-E309 VanDerWaalsContact NH2-CG 3.32Å; R297-E309 IonicContact NH2-OE1 2.67Å; R297-T669 PolarHBondContact NH1-OG1 2.71Å
298	M	88.7	Confident	86.7	Confident	64 Å²	64	53 Å²	53	32%	0.315	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-93	116.7	175.4	175.2	-151.6	76.5	0	0	108.6	N281 P300 R329	N281-M298 HydrophobicContact CB-CG 3.83Å; N281-M298 HydrophobicContact CB-SD 3.8Å; M298-P300 HydrophobicContact CE-CB 4.42Å; M298-R329 HydrophobicContact CG-CB 4.09Å; M298-R329 HydrophobicContact SD-CB 3.76Å; M298-R329 HydrophobicContact SD-CG 3.93Å
299	I	88.3	Confident	86.8	Confident	24 Å²	24	53.9 Å²	53.9	12%	0.123	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-82.3	124.4	172.8	-55.4	-55.3	0	0	0	107.8	N281 P282 P305 V306 W307	N281-I299 CarbonylContact C-O 3.33Å; N281-I299 VanDerWaalsContact CA-O 3.24Å; N281-I299 WeakPolarHBondContact CA-O 3.36Å; P282-I299 VanDerWaalsContact CD-O 3.26Å; P282-I299 WeakPolarHBondContact CD-O 3.48Å; P282-I299 PolarHBondContact O-N 2.88Å; P282-I299 VanDerWaalsContact O-N 3.09Å; I299-P305 HydrophobicContact CB-CB 3.87Å; I299-P305 HydrophobicContact CG1-CB 3.87Å; I299-P305 HydrophobicContact CG2-CB 4.12Å; I299-V306 WeakPolarHBondContact CD1-O 3.48Å; I299-W307 HydrophobicContact CG1-CG 4.34Å
300	P	84.6	Confident	87.1	Confident	69 Å²	69	55 Å²	55	45%	0.448	31%	0.306	S	S	.	.	S	Bend	trans	-80.6	142.7	-179.2	31.3	-34	0	0	0	112.3	N281 M298 S302	N281-P300 WeakPolarHBondContact OD1-CA 3.34Å; M298-P300 HydrophobicContact CE-CB 4.42Å; P300-S302 PolarHBondContact O-N 2.97Å
301	N	82.6	Confident	87.7	Confident	96 Å²	96	53.1 Å²	53.1	51%	0.513	28%	0.279	S	S	.	.	S	Bend	trans	49.1	45.5	171.2	-55	-60.1	0	0	0	116	K279 T280 N281	K279-N301 WeakPolarHBondContact CB-OD1 3.34Å; K279-N301 WeakPolarHBondContact CD-OD1 3.38Å; K279-N301 WeakPolarHBondContact CG-OD1 3.48Å; T280-N301 CarbonylContact O-C 3.49Å; T280-N301 WeakPolarHBondContact O-CA 3.38Å; T280-N301 PolarHBondContact O-N 2.8Å; N281-N301 PolarHBondContact OD1-N 2.79Å
302	S	84.9	Confident	88	Confident	33 Å²	33	58.3 Å²	58.3	23%	0.231	29%	0.292	C	S	.	.			trans	-139.9	125.9	176.7	-174	0	0	0	0	114.1	T280 P282 P300 N304	T280-S302 PolarHBondContact O-N 3.07Å; T280-S302 VanDerWaalsContact OG1-C 3.23Å; T280-S302 PolarHBondContact OG1-O 2.87Å; P282-S302 WeakPolarHBondContact CD-O 3.45Å; P282-S302 VanDerWaalsContact CG-O 3.3Å; P282-S302 WeakPolarHBondContact CG-O 3.38Å; P300-S302 PolarHBondContact O-N 2.97Å; S302-N304 VanDerWaalsContact C-N 3.29Å; S302-N304 PolarHBondContact OG-N 3.23Å; S302-N304 VanDerWaalsContact OG-N 3.08Å; S302-N304 PolarHBondContact OG-O 2.86Å; S302-N304 VanDerWaalsContact OG-O 3.06Å
303	C	83.6	Confident	88.1	Confident	33 Å²	33	56 Å²	56	22%	0.223	28%	0.277	C	S	.	.	S	Bend	trans	-81.5	-7.3	167.8	-55.7	0	0	0	0	113.3	K270 L271 T280 P305	K270-C303 PolarHBondContact N-O 2.95Å; L271-C303 WeakPolarHBondContact CB-O 3.4Å; L271-C303 WeakPolarHBondContact CG-O 3.31Å; L271-C303 PolarHBondContact N-O 3.03Å; L271-C303 WeakPolarHBondContact O-CB 2.97Å; T280-C303 PolarHBondContact OG1-N 2.92Å; T280-C303 PolarHBondContact OG1-SG 3.02Å; C303-P305 VanDerWaalsContact C-CD 3.47Å
304	N	88	Confident	88.2	Confident	97 Å²	97	56.8 Å²	56.8	52%	0.519	28%	0.275	S	S	.	.	S	Bend	trans	-126.4	66	173.6	-59.9	-58.8	0	0	0	108.9	G268 A269 K270 S302	G268-N304 CarbonylContact O-C 3.55Å; G268-N304 VanDerWaalsContact O-CA 3.26Å; G268-N304 WeakPolarHBondContact O-CA 3.26Å; A269-N304 WeakPolarHBondContact CA-OD1 3.29Å; K270-N304 PolarHBondContact N-OD1 3.13Å; S302-N304 VanDerWaalsContact C-N 3.29Å; S302-N304 PolarHBondContact OG-N 3.23Å; S302-N304 VanDerWaalsContact OG-N 3.08Å; S302-N304 PolarHBondContact OG-O 2.86Å; S302-N304 VanDerWaalsContact OG-O 3.06Å
305	P	88.3	Confident	87.9	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.265	C	S	.	.			trans	-68.5	139.1	-176.9	30.6	-37.7	0	0	0	111.1	L267 G268 L271 P282 I299 C303 W307	L267-P305 CarbonylContact C-O 3.54Å; L267-P305 VanDerWaalsContact CA-O 3.23Å; L267-P305 WeakPolarHBondContact CA-O 3.44Å; L267-P305 VanDerWaalsContact CB-O 3.32Å; L267-P305 WeakPolarHBondContact CB-O 3.31Å; G268-P305 PolarHBondContact N-O 2.71Å; G268-P305 WeakPolarHBondContact O-CD 2.94Å; L271-P305 HydrophobicContact CD1-CG 3.6Å; P282-P305 HydrophobicContact CB-CG 4.21Å; P282-P305 HydrophobicContact CG-CB 3.65Å; P282-P305 HydrophobicContact CG-CG 3.55Å; I299-P305 HydrophobicContact CB-CB 3.87Å; I299-P305 HydrophobicContact CG1-CB 3.87Å; I299-P305 HydrophobicContact CG2-CB 4.12Å; C303-P305 VanDerWaalsContact C-CD 3.47Å; P305-W307 HydrophobicContact CB-CD2 4.36Å; P305-W307 HydrophobicContact CB-CH2 4.28Å; P305-W307 HydrophobicContact CB-CZ2 4.03Å; P305-W307 HydrophobicContact CG-CD2 4.49Å; P305-W307 HydrophobicContact CG-CE3 4.3Å; P305-W307 HydrophobicContact CG-CH2 3.47Å; P305-W307 VanDerWaalsContact CG-CH2 3.47Å; P305-W307 HydrophobicContact CG-CZ2 3.64Å; P305-W307 HydrophobicContact CG-CZ3 3.83Å
306	V	90.7	Very high	87.3	Confident	51 Å²	51	49 Å²	49	31%	0.309	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	121.4	163.4	-177.3	0	0	0	0	106.4	L267 I299 D308	L267-V306 HydrophobicContact CB-CB 4.45Å; L267-V306 HydrophobicContact CB-CG2 4.07Å; I299-V306 WeakPolarHBondContact CD1-O 3.48Å; V306-D308 HydrophobicContact CG1-CB 4.49Å; V306-D308 WeakPolarHBondContact CG1-OD2 3.46Å
307	W	89	Confident	86.7	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-43.6	179.1	-70.7	-74.7	0	0	0	111.1	I265 K266 G268 L271 P282 V284 S296 R297 I299 P305 E309 V326 I373	I265-W307 HydrophobicContact CG2-CB 4.33Å; I265-W307 HydrophobicContact CG2-CD2 4.13Å; I265-W307 HydrophobicContact CG2-CE3 3.58Å; I265-W307 HydrophobicContact CG2-CG 4.47Å; I265-W307 HydrophobicContact CG2-CZ3 4.19Å; K266-W307 PolarHBondContact O-N 3.22Å; G268-W307 VanDerWaalsContact N-CZ3 3.32Å; L271-W307 HydrophobicContact CD1-CH2 4.45Å; P282-W307 HydrophobicContact CB-CZ2 4.03Å; P282-W307 HydrophobicContact CG-CZ2 4.41Å; V284-W307 HydrophobicContact CG2-CD2 4.17Å; V284-W307 HydrophobicContact CG2-CE3 4.17Å; V284-W307 HydrophobicContact CG2-CH2 3.52Å; V284-W307 HydrophobicContact CG2-CZ2 3.52Å; V284-W307 HydrophobicContact CG2-CZ3 3.85Å; S296-W307 PolarHBondContact OG-NE1 3.36Å; R297-W307 PolarHBondContact NH2-O 3.22Å; R297-W307 PolarHBondContact O-NE1 3Å; I299-W307 HydrophobicContact CG1-CG 4.34Å; P305-W307 HydrophobicContact CB-CD2 4.36Å; P305-W307 HydrophobicContact CB-CH2 4.28Å; P305-W307 HydrophobicContact CB-CZ2 4.03Å; P305-W307 HydrophobicContact CG-CD2 4.49Å; P305-W307 HydrophobicContact CG-CE3 4.3Å; P305-W307 HydrophobicContact CG-CH2 3.47Å; P305-W307 VanDerWaalsContact CG-CH2 3.47Å; P305-W307 HydrophobicContact CG-CZ2 3.64Å; P305-W307 HydrophobicContact CG-CZ3 3.83Å; W307-E309 VanDerWaalsContact C-N 3.26Å; W307-E309 HydrophobicContact CB-CB 4.46Å; W307-E309 PolarHBondContact O-N 2.81Å; W307-V326 HydrophobicContact CH2-CG1 4.31Å; W307-I373 HydrophobicContact CH2-CD1 4.49Å; W307-I373 HydrophobicContact CZ3-CD1 4.04Å; W307-I373 HydrophobicContact CZ3-CG1 4.25Å
308	D	90.1	Very high	86.2	Confident	75 Å²	75	44.3 Å²	44.3	40%	0.401	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	43.5	50.2	-171.4	-71.4	-37.1	0	0	0	112.3	F264 I265 K266 V306	F264-D308 HydrophobicContact CE2-CB 4.24Å; F264-D308 HydrophobicContact CZ-CB 4.5Å; I265-D308 WeakPolarHBondContact O-CA 3.36Å; I265-D308 PolarHBondContact O-N 2.94Å; K266-D308 WeakPolarHBondContact CG-OD1 3.26Å; K266-D308 PolarHBondContact O-N 3.39Å; K266-D308 VanDerWaalsContact O-N 3.07Å; V306-D308 HydrophobicContact CG1-CB 4.49Å; V306-D308 WeakPolarHBondContact CG1-OD2 3.46Å
309	E	86.5	Confident	85.6	Confident	20 Å²	20	44.1 Å²	44.1	9%	0.093	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	125.8	-175.8	-81	167.8	-125.5	0	0	112.5	I265 S296 R297 W307 F311	I265-E309 PolarHBondContact N-O 2.84Å; I265-E309 PolarHBondContact O-N 2.82Å; S296-E309 WeakPolarHBondContact CA-OE2 3.38Å; S296-E309 VanDerWaalsContact CB-OE2 3.28Å; S296-E309 WeakPolarHBondContact CB-OE2 3.5Å; R297-E309 WeakPolarHBondContact CB-OE1 3.29Å; R297-E309 WeakPolarHBondContact CG-OE1 3.47Å; R297-E309 IonicContact CZ-OE1 3.45Å; R297-E309 PolarHBondContact N-OE1 3.16Å; R297-E309 PolarHBondContact N-OE2 3.03Å; R297-E309 VanDerWaalsContact NE-CD 3.29Å; R297-E309 IonicContact NE-OE1 3.79Å; R297-E309 PolarHBondContact NE-OE1 2.91Å; R297-E309 VanDerWaalsContact NH2-CG 3.32Å; R297-E309 IonicContact NH2-OE1 2.67Å; W307-E309 VanDerWaalsContact C-N 3.26Å; W307-E309 HydrophobicContact CB-CB 4.46Å; W307-E309 PolarHBondContact O-N 2.81Å; E309-F311 HydrophobicContact CB-CE2 3.65Å; E309-F311 HydrophobicContact CB-CZ 3.82Å; E309-F311 WeakPolarHBondContact OE2-CZ 3.06Å
310	K	90.3	Very high	85.3	Confident	76 Å²	76	47 Å²	47	33%	0.33	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	135.9	172.6	-64.1	-179.8	-177.2	172.3	0	110.9	L263 F264 E660	L263-K310 CarbonylContact O-C 3.58Å; L263-K310 WeakPolarHBondContact O-CA 3.44Å; F264-K310 HydrophobicContact CB-CG 4.11Å; F264-K310 HydrophobicContact CD2-CG 3.6Å; F264-K310 HydrophobicContact CE2-CG 4.34Å; F264-K310 HydrophobicContact CG-CG 4.05Å; K310-E660 IonicContact NZ-OE1 3.75Å; K310-E660 PolarHBondContact NZ-OE1 3.33Å; K310-E660 IonicContact NZ-OE2 2.8Å; K310-E660 PolarHBondContact NZ-OE2 2.99Å
311	F	89.8	Confident	85.4	Confident	29 Å²	29	45.9 Å²	45.9	13%	0.127	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	140.7	173	-58.9	-84.5	0	0	0	110	A262 L263 I265 I286 A294 E309 F313	A262-F311 CarbonylContact C-O 3.6Å; A262-F311 WeakPolarHBondContact CA-O 3.32Å; L263-F311 PolarHBondContact N-O 3.18Å; L263-F311 PolarHBondContact O-N 3.32Å; I265-F311 HydrophobicContact CD1-CD2 4.24Å; I265-F311 HydrophobicContact CD1-CE2 3.95Å; I265-F311 HydrophobicContact CG1-CD2 4.36Å; I265-F311 HydrophobicContact CG1-CE2 4.26Å; I286-F311 HydrophobicContact CD1-CB 4.15Å; I286-F311 HydrophobicContact CD1-CD1 3.96Å; I286-F311 HydrophobicContact CD1-CD2 3.45Å; I286-F311 VanDerWaalsContact CD1-CD2 3.45Å; I286-F311 HydrophobicContact CD1-CE1 4.29Å; I286-F311 HydrophobicContact CD1-CE2 3.82Å; I286-F311 HydrophobicContact CD1-CG 3.54Å; I286-F311 HydrophobicContact CD1-CZ 4.23Å; A294-F311 HydrophobicContact CB-CD1 3.56Å; A294-F311 HydrophobicContact CB-CE1 4.01Å; A294-F311 HydrophobicContact CB-CG 4.31Å; E309-F311 HydrophobicContact CB-CE2 3.65Å; E309-F311 HydrophobicContact CB-CZ 3.82Å; E309-F311 WeakPolarHBondContact OE2-CZ 3.06Å; F311-F313 HydrophobicContact CB-CD1 4.25Å; F311-F313 HydrophobicContact CB-CE1 4.17Å
312	W	88.5	Confident	85.7	Confident	155 Å²	155	41.3 Å²	41.3	59%	0.587	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.4	132	174.9	-59.9	86.2	0	0	0	108.7	V261 A262	V261-W312 WeakPolarHBondContact O-CA 3.44Å; A262-W312 HydrophobicContact CB-CD2 3.82Å; A262-W312 HydrophobicContact CB-CE3 3.45Å; A262-W312 VanDerWaalsContact CB-CE3 3.45Å; A262-W312 HydrophobicContact CB-CH2 3.69Å; A262-W312 HydrophobicContact CB-CZ2 4.03Å; A262-W312 HydrophobicContact CB-CZ3 3.39Å
313	F	87.8	Confident	86	Confident	16 Å²	16	41.4 Å²	41.4	7%	0.07	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	152.4	178.4	42.2	-99.4	0	0	0	111.9	V261 L263 I286 L293 F311 L315 I322	V261-F313 HydrophobicContact CB-CD2 3.9Å; V261-F313 HydrophobicContact CB-CE2 3.46Å; V261-F313 VanDerWaalsContact CB-CE2 3.46Å; V261-F313 HydrophobicContact CB-CZ 4.17Å; V261-F313 HydrophobicContact CG1-CD2 4.38Å; V261-F313 HydrophobicContact CG1-CE2 3.47Å; V261-F313 VanDerWaalsContact CG1-CE2 3.47Å; V261-F313 HydrophobicContact CG1-CZ 3.74Å; V261-F313 HydrophobicContact CG2-CE2 4.33Å; V261-F313 PolarHBondContact N-O 3.03Å; V261-F313 PolarHBondContact O-N 3.02Å; V261-F313 VanDerWaalsContact O-N 3.07Å; L263-F313 HydrophobicContact CB-CE1 3.77Å; L263-F313 HydrophobicContact CB-CZ 3.85Å; L263-F313 HydrophobicContact CD2-CE1 4.11Å; L263-F313 HydrophobicContact CD2-CZ 4.27Å; I286-F313 HydrophobicContact CG2-CE1 4.22Å; L293-F313 HydrophobicContact CD1-CB 4.13Å; L293-F313 HydrophobicContact CD1-CD1 4.1Å; L293-F313 HydrophobicContact CD1-CD2 3.71Å; L293-F313 HydrophobicContact CD1-CE1 4.48Å; L293-F313 HydrophobicContact CD1-CE2 4.11Å; L293-F313 HydrophobicContact CD1-CG 3.71Å; L293-F313 HydrophobicContact CD1-CZ 4.49Å; F311-F313 HydrophobicContact CB-CD1 4.25Å; F311-F313 HydrophobicContact CB-CE1 4.17Å; F313-L315 HydrophobicContact CD2-CD1 4.4Å; F313-L315 HydrophobicContact CD2-CD2 4.1Å; F313-L315 HydrophobicContact CD2-CG 4.23Å; F313-L315 HydrophobicContact CE2-CD1 4.4Å; F313-I322 HydrophobicContact CE2-CD1 3.41Å; F313-I322 VanDerWaalsContact CE2-CD1 3.41Å; F313-I322 HydrophobicContact CZ-CD1 3.63Å
314	R	87	Confident	86.5	Confident	74 Å²	74	39.8 Å²	39.8	28%	0.279	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.4	-172.2	-55.7	-177.6	-171.1	86.6	1.7	110	W259 E391 L395	W259-R314 CarbonylContact O-C 3.37Å; W259-R314 VanDerWaalsContact O-CA 3.29Å; W259-R314 WeakPolarHBondContact O-CA 3.47Å; R314-E391 WeakPolarHBondContact CD-OE1 3.16Å; R314-E391 IonicContact CZ-OE1 2.72Å; R314-E391 IonicContact CZ-OE2 3.19Å; R314-E391 IonicContact NE-OE1 3.33Å; R314-E391 IonicContact NH1-OE1 3.48Å; R314-E391 PolarHBondContact NH1-OE1 3.46Å; R314-E391 IonicContact NH1-OE2 2.89Å; R314-E391 PolarHBondContact NH1-OE2 3.24Å; R314-L395 HydrophobicContact CB-CD1 3.98Å
315	L	83.9	Confident	86.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	151.3	-174	-52.1	179.5	0	0	0	111.1	W259 V261 H288 L293 F313 L345	W259-L315 HydrophobicContact CB-CB 4.22Å; W259-L315 PolarHBondContact N-O 3.39Å; W259-L315 PolarHBondContact O-N 2.95Å; V261-L315 HydrophobicContact CG2-CD1 3.95Å; H288-L315 HydrophobicContact CB-CD2 4.36Å; L293-L315 HydrophobicContact CD1-CD2 4.38Å; F313-L315 HydrophobicContact CD2-CD1 4.4Å; F313-L315 HydrophobicContact CD2-CD2 4.1Å; F313-L315 HydrophobicContact CD2-CG 4.23Å; F313-L315 HydrophobicContact CE2-CD1 4.4Å; L315-L345 HydrophobicContact CD1-CD1 3.39Å
316	W	79	Confident	86.8	Confident	11 Å²	11	35.9 Å²	35.9	4%	0.042	17%	0.168	C	C	.	.	S	Bend	trans	-103.7	-19.4	-176.6	59.4	91.7	0	0	0	114	F252 F258 H288 N289 L395 K398 M399	F252-W316 WeakPolarHBondContact CD1-O 3.39Å; F258-W316 HydrophobicContact CD1-CB 4.35Å; F258-W316 HydrophobicContact CE1-CB 4.27Å; H288-W316 AromaticContact ND1-CH2 3.88Å; N289-W316 HydrophobicContact CB-CZ2 4.23Å; W316-L395 HydrophobicContact CE3-CD2 3.84Å; W316-L395 HydrophobicContact CZ3-CD2 4.44Å; W316-K398 HydrophobicContact CD2-CB 3.97Å; W316-K398 HydrophobicContact CD2-CD 4.23Å; W316-K398 HydrophobicContact CE3-CB 4.48Å; W316-K398 HydrophobicContact CE3-CD 4.11Å; W316-K398 HydrophobicContact CG-CB 4.22Å; W316-K398 HydrophobicContact CH2-CD 3.56Å; W316-K398 HydrophobicContact CZ2-CB 4.38Å; W316-K398 HydrophobicContact CZ2-CD 3.64Å; W316-K398 HydrophobicContact CZ3-CD 3.8Å; W316-M399 HydrophobicContact CB-CB 4.02Å; W316-M399 HydrophobicContact CB-CG 4.35Å
317	S	79.1	Confident	86.7	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.014	16%	0.161	C	C	.	.			trans	-149.4	171.6	163.1	81.8	0	0	0	0	109.3	H251 D319	H251-S317 VanDerWaalsContact O-CA 3.23Å; H251-S317 WeakPolarHBondContact O-CA 3.49Å; H251-S317 VanDerWaalsContact O-CB 3.28Å; H251-S317 WeakPolarHBondContact O-CB 3.48Å; S317-D319 WeakPolarHBondContact CB-OD2 3.41Å; S317-D319 PolarHBondContact OG-OD2 2.88Å
318	L	80.4	Confident	86.7	Confident	2 Å²	2	35.6 Å²	35.6	1%	0.01	16%	0.162	C	C	.	.	S	Bend	trans	-107.9	3	-178.3	-60.8	-177.6	0	0	0	113.8	V249 H251 W259 M320 L345 V346 L379	V249-L318 HydrophobicContact CB-CD1 4.19Å; V249-L318 HydrophobicContact CG1-CD1 3.48Å; V249-L318 VanDerWaalsContact CG1-CD1 3.48Å; H251-L318 PolarHBondContact O-N 3.03Å; W259-L318 HydrophobicContact CB-CD2 3.98Å; W259-L318 VanDerWaalsContact CD1-CD2 3.49Å; W259-L318 HydrophobicContact CD2-CD1 4.03Å; W259-L318 HydrophobicContact CD2-CD2 4.09Å; W259-L318 HydrophobicContact CD2-CG 4.15Å; W259-L318 HydrophobicContact CG-CD1 4.39Å; W259-L318 HydrophobicContact CG-CD2 3.59Å; W259-L318 HydrophobicContact CG-CG 4.01Å; W259-L318 HydrophobicContact CZ2-CD1 4.09Å; L318-M320 VanDerWaalsContact C-N 3.31Å; L318-M320 PolarHBondContact O-N 2.88Å; L318-L345 HydrophobicContact CB-CB 4.03Å; L318-L345 HydrophobicContact CD1-CB 4.42Å; L318-L345 HydrophobicContact CD2-CB 3.86Å; L318-L345 HydrophobicContact CD2-CD1 3.74Å; L318-L345 HydrophobicContact CD2-CG 4.47Å; L318-L345 HydrophobicContact CG-CB 4.3Å; L318-V346 HydrophobicContact CB-CG2 3.94Å; L318-L379 HydrophobicContact CD1-CD1 4.42Å; L318-L379 HydrophobicContact CD1-CD2 3.81Å; L318-L379 HydrophobicContact CD2-CD1 4.01Å
319	D	76.3	Confident	86.5	Confident	59 Å²	59	38.4 Å²	38.4	32%	0.316	17%	0.167	S	C	.	.			trans	-72.7	-26.6	-164.5	-38.4	-41.3	0	0	0	112.7	H251 S317	H251-D319 WeakPolarHBondContact CB-OD1 3.11Å; H251-D319 IonicContact CE1-OD1 3.95Å; H251-D319 IonicContact CG-OD1 2.72Å; H251-D319 VanDerWaalsContact CG-OD1 3.28Å; H251-D319 IonicContact ND1-OD1 3.73Å; H251-D319 PolarHBondContact ND1-OD1 3.47Å; S317-D319 WeakPolarHBondContact CB-OD2 3.41Å; S317-D319 PolarHBondContact OG-OD2 2.88Å
320	M	80.9	Confident	86.2	Confident	86 Å²	86	39.3 Å²	39.3	42%	0.424	17%	0.173	S	C	.	.	S	Bend	trans	-96.7	126.1	178.8	-63.7	-57.3	-60.1	0	0	109.7	H288 N289 L318	H288-M320 PolarHBondContact CD2-O 2.96Å; H288-M320 VanDerWaalsContact CD2-O 3.26Å; H288-M320 PolarHBondContact NE2-O 3.01Å; N289-M320 HydrophobicContact CB-CB 4.28Å; N289-M320 HydrophobicContact CB-CG 4.13Å; L318-M320 VanDerWaalsContact C-N 3.31Å; L318-M320 PolarHBondContact O-N 2.88Å
321	P	87	Confident	85.5	Confident	44 Å²	44	40.5 Å²	40.5	29%	0.286	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-65.9	154.7	177.2	28.4	-35.2	0	0	0	111.5	Q342 F343	P321-Q342 HydrophobicContact CB-CB 4.37Å; P321-F343 CarbonylContact C-O 3.56Å; P321-F343 VanDerWaalsContact CA-O 3.22Å; P321-F343 WeakPolarHBondContact CA-O 3.45Å; P321-F343 WeakPolarHBondContact CB-O 3.27Å
322	I	89.5	Confident	84.7	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.1	171.5	-62.6	-179.2	0	0	0	108.3	V261 I286 K287 F313 L324 Q342 F343 L345	V261-I322 HydrophobicContact CG1-CD1 4.37Å; I286-I322 HydrophobicContact CG2-CG2 4.02Å; K287-I322 WeakPolarHBondContact O-CA 3.16Å; F313-I322 HydrophobicContact CE2-CD1 3.41Å; F313-I322 VanDerWaalsContact CE2-CD1 3.41Å; F313-I322 HydrophobicContact CZ-CD1 3.63Å; I322-L324 HydrophobicContact CG2-CD2 4.06Å; I322-Q342 WeakPolarHBondContact O-CA 3.47Å; I322-F343 HydrophobicContact CB-CD1 4.24Å; I322-F343 HydrophobicContact CB-CE1 3.7Å; I322-F343 HydrophobicContact CB-CE2 4.06Å; I322-F343 HydrophobicContact CB-CZ 3.61Å; I322-F343 HydrophobicContact CD1-CE2 3.85Å; I322-F343 HydrophobicContact CD1-CZ 3.72Å; I322-F343 HydrophobicContact CG1-CE2 4.31Å; I322-F343 HydrophobicContact CG1-CZ 4.18Å; I322-F343 HydrophobicContact CG2-CE1 3.68Å; I322-F343 HydrophobicContact CG2-CZ 3.73Å; I322-F343 PolarHBondContact N-O 3.19Å; I322-F343 PolarHBondContact O-N 3.14Å; I322-F343 VanDerWaalsContact O-N 3.12Å; I322-L345 HydrophobicContact CD1-CD1 3.93Å; I322-L345 HydrophobicContact CD1-CD2 3.97Å; I322-L345 HydrophobicContact CD1-CG 4.31Å; I322-L345 HydrophobicContact CG1-CD1 4.11Å; I322-L345 HydrophobicContact CG1-CG 4.46Å
323	E	90.9	Very high	84.2	Confident	35 Å²	35	48.1 Å²	48.1	16%	0.164	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121	176.9	179.9	-174	-136.1	0	0	109.8	K287 K325	K287-E323 HydrophobicContact CB-CB 4.15Å; K287-E323 WeakPolarHBondContact CD-OE2 3.37Å; K287-E323 PolarHBondContact N-O 3.24Å; K287-E323 IonicContact NZ-OE2 3.25Å; K287-E323 PolarHBondContact NZ-OE2 3.26Å; K287-E323 PolarHBondContact O-N 2.78Å; E323-K325 VanDerWaalsContact CD-CE 3.42Å; E323-K325 HydrophobicContact CG-CG 3.91Å; E323-K325 WeakPolarHBondContact OE1-CE 3.44Å; E323-K325 IonicContact OE1-NZ 2.71Å; E323-K325 PolarHBondContact OE1-NZ 3.33Å; E323-K325 WeakPolarHBondContact OE2-CE 3.33Å; E323-K325 IonicContact OE2-NZ 2.91Å
324	L	93	Very high	83.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	106.1	171.6	-55.4	-175.6	0	0	0	109	L263 V284 I286 I322 R340 T341 F343 F375	L263-L324 HydrophobicContact CD2-CD2 3.77Å; V284-L324 HydrophobicContact CG1-CB 4.1Å; V284-L324 HydrophobicContact CG1-CD2 4.49Å; I286-L324 HydrophobicContact CB-CD2 4.24Å; I286-L324 HydrophobicContact CG1-CD2 3.74Å; I286-L324 HydrophobicContact CG2-CD2 4.1Å; I322-L324 HydrophobicContact CG2-CD2 4.06Å; L324-R340 CarbonylContact O-C 3.43Å; L324-R340 VanDerWaalsContact O-CA 3.26Å; L324-R340 WeakPolarHBondContact O-CA 3.26Å; L324-T341 HydrophobicContact CB-CG2 3.93Å; L324-T341 HydrophobicContact CD1-CG2 4.17Å; L324-T341 HydrophobicContact CG-CG2 4.37Å; L324-T341 PolarHBondContact N-O 3.25Å; L324-T341 PolarHBondContact O-N 2.9Å; L324-F343 HydrophobicContact CD1-CD1 4.49Å; L324-F343 HydrophobicContact CD1-CE1 3.98Å; L324-F343 HydrophobicContact CD2-CE1 4.3Å; L324-F343 HydrophobicContact CG-CE1 3.99Å; L324-F375 HydrophobicContact CD1-CD1 3.94Å; L324-F375 HydrophobicContact CD1-CD2 4.36Å; L324-F375 HydrophobicContact CD1-CE1 3.85Å; L324-F375 HydrophobicContact CD1-CE2 4.27Å; L324-F375 HydrophobicContact CD1-CG 4.2Å; L324-F375 HydrophobicContact CD1-CZ 4.02Å
325	K	91.6	Very high	83.6	Confident	14 Å²	14	55.9 Å²	55.9	6%	0.061	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	126	173.8	-69.9	-159.8	177	-58.6	0	111	V284 K285 E323 Y327 Y337 R340 D363	V284-K325 CarbonylContact C-O 3.47Å; K285-K325 PolarHBondContact N-O 3.32Å; K285-K325 PolarHBondContact O-N 3.19Å; E323-K325 VanDerWaalsContact CD-CE 3.42Å; E323-K325 HydrophobicContact CG-CG 3.91Å; E323-K325 WeakPolarHBondContact OE1-CE 3.44Å; E323-K325 IonicContact OE1-NZ 2.71Å; E323-K325 PolarHBondContact OE1-NZ 3.33Å; E323-K325 WeakPolarHBondContact OE2-CE 3.33Å; E323-K325 IonicContact OE2-NZ 2.91Å; K325-Y327 HydrophobicContact CB-CD2 4.19Å; K325-Y327 HydrophobicContact CB-CE2 3.48Å; K325-Y327 VanDerWaalsContact CB-CE2 3.48Å; K325-Y327 HydrophobicContact CD-CE2 4.24Å; K325-Y327 WeakPolarHBondContact CD-OH 3.26Å; K325-Y337 HydrophobicContact CB-CE2 4.07Å; K325-Y337 HydrophobicContact CD-CD2 4.48Å; K325-Y337 HydrophobicContact CD-CE2 3.74Å; K325-Y337 HydrophobicContact CG-CE2 4Å; K325-Y337 PolarHBondContact NZ-OH 2.9Å; K325-R340 HydrophobicContact CG-CB 4.07Å; K325-D363 IonicContact NZ-OD1 3.27Å; K325-D363 IonicContact NZ-OD2 2.71Å; K325-D363 PolarHBondContact NZ-OD2 2.88Å
326	V	91.1	Very high	83.5	Confident	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.4	176.1	-167.5	0	0	0	0	109.8	L271 P282 Y283 V284 W307 I338 G339 L360 I373	L271-V326 HydrophobicContact CD1-CG1 4.25Å; P282-V326 HydrophobicContact CB-CG1 4.18Å; Y283-V326 WeakPolarHBondContact O-CA 3.24Å; V284-V326 HydrophobicContact CG2-CG2 4.39Å; W307-V326 HydrophobicContact CH2-CG1 4.31Å; V326-I338 HydrophobicContact CB-CB 4.41Å; V326-I338 HydrophobicContact CG1-CB 4.46Å; V326-I338 HydrophobicContact CG1-CD1 4.18Å; V326-I338 PolarHBondContact O-N 2.79Å; V326-G339 PolarHBondContact N-O 3.49Å; V326-G339 PolarHBondContact O-N 2.95Å; V326-L360 HydrophobicContact CB-CD1 4.31Å; V326-L360 HydrophobicContact CG2-CD1 3.81Å; V326-L360 HydrophobicContact CG2-CD2 3.88Å; V326-I373 HydrophobicContact CG2-CD1 4.32Å
327	Y	90.1	Very high	83.9	Confident	39 Å²	39	59.8 Å²	59.8	15%	0.153	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140	-176.9	-71.4	-87.3	0	0	0	111.4	P282 Y283 K285 K325 D335 S336 Y337	P282-Y327 CarbonylContact C-O 3.58Å; P282-Y327 VanDerWaalsContact CA-O 3.31Å; P282-Y327 WeakPolarHBondContact CA-O 3.31Å; Y283-Y327 WeakPolarHBondContact CD1-O 3.43Å; Y283-Y327 HydrophobicContact CE1-CG 4.44Å; Y283-Y327 HydrophobicContact CE2-CD2 4.4Å; Y283-Y327 PolarHBondContact N-O 2.94Å; Y283-Y327 PolarHBondContact O-N 3.38Å; K285-Y327 HydrophobicContact CB-CD2 4.05Å; K285-Y327 HydrophobicContact CB-CE2 3.95Å; K285-Y327 HydrophobicContact CD-CD2 4.32Å; K285-Y327 HydrophobicContact CD-CE2 3.75Å; K285-Y327 HydrophobicContact CG-CE2 4.47Å; K325-Y327 HydrophobicContact CB-CD2 4.19Å; K325-Y327 HydrophobicContact CB-CE2 3.48Å; K325-Y327 VanDerWaalsContact CB-CE2 3.48Å; K325-Y327 HydrophobicContact CD-CE2 4.24Å; K325-Y327 WeakPolarHBondContact CD-OH 3.26Å; Y327-D335 HydrophobicContact CD1-CB 4.37Å; Y327-S336 CarbonylContact C-O 3.5Å; Y327-S336 WeakPolarHBondContact CA-O 3.27Å; Y327-Y337 HydrophobicContact CD1-CD2 4.24Å; Y327-Y337 AromaticContact CE1-CD2 3.83Å; Y327-Y337 HydrophobicContact CE1-CD2 3.83Å; Y327-Y337 HydrophobicContact CE1-CG 4.36Å
328	H	87.8	Confident	84.2	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.046	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	119.3	162.6	174.4	17	0	0	0	109.5	N281 D335 S336 I338	N281-H328 PolarHBondContact N-CE1 2.76Å; N281-H328 PolarHBondContact N-ND1 3.39Å; N281-H328 VanDerWaalsContact N-ND1 3.1Å; N281-H328 WeakPolarHBondContact O-CA 3.36Å; H328-D335 CarbonylContact O-C 3.54Å; H328-D335 WeakPolarHBondContact O-CA 3.09Å; H328-S336 PolarHBondContact N-O 2.87Å; H328-S336 PolarHBondContact O-N 3.09Å; H328-I338 HydrophobicContact CB-CD1 4.09Å; H328-I338 HydrophobicContact CB-CG1 4.22Å
329	R	85.7	Confident	84.5	Confident	134 Å²	134	59.7 Å²	59.7	51%	0.506	29%	0.285	S	S	.	.			trans	-85.6	122.9	171.2	-176.7	166.2	-177.5	-157.7	0	112.2	N281 Y283 M298 D335	N281-R329 WeakPolarHBondContact CB-O 3.5Å; N281-R329 PolarHBondContact ND2-O 2.72Å; N281-R329 PolarHBondContact O-N 3.32Å; Y283-R329 HydrophobicContact CD1-CB 3.94Å; Y283-R329 HydrophobicContact CE1-CB 4Å; M298-R329 HydrophobicContact CG-CB 4.09Å; M298-R329 HydrophobicContact SD-CB 3.76Å; M298-R329 HydrophobicContact SD-CG 3.93Å; R329-D335 WeakPolarHBondContact CA-OD1 3.48Å; R329-D335 WeakPolarHBondContact CG-OD1 3.4Å
330	D	80.8	Confident	85.2	Confident	40 Å²	40	60 Å²	60	21%	0.214	28%	0.282	C	S	.	.			trans	-109.4	125.3	171.9	-175.8	-24.4	0	0	0	108.1	F332 K333	D330-F332 PolarHBondContact O-N 2.9Å; D330-F332 VanDerWaalsContact O-N 3.16Å; D330-F332 PolarHBondContact OD1-N 2.9Å; D330-K333 HydrophobicContact CB-CB 4.02Å; D330-K333 VanDerWaalsContact O-O 3.11Å; D330-K333 WeakPolarHBondContact OD2-CD 3.48Å; D330-K333 WeakPolarHBondContact OD2-CG 3.38Å
331	P	74.8	Confident	85.7	Confident	101 Å²	101	56.6 Å²	56.6	66%	0.656	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.6	177.7	-22.6	33.8	0	0	0	114.9
332	F	74.5	Confident	85.8	Confident	187 Å²	187	60 Å²	60	82%	0.82	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	2.3	-171.6	-54.1	-75	0	0	0	113.9	D330	D330-F332 PolarHBondContact O-N 2.9Å; D330-F332 VanDerWaalsContact O-N 3.16Å; D330-F332 PolarHBondContact OD1-N 2.9Å
333	K	76.9	Confident	85.8	Confident	156 Å²	156	60.6 Å²	60.6	68%	0.678	28%	0.281	S	S	*	.	S	Bend	trans	-140	171.1	179.8	-63.1	-173.8	-179.9	-179.3	0	111.3	D330	D330-K333 HydrophobicContact CB-CB 4.02Å; D330-K333 VanDerWaalsContact O-O 3.11Å; D330-K333 WeakPolarHBondContact OD2-CD 3.48Å; D330-K333 WeakPolarHBondContact OD2-CG 3.38Å
334	K	77.7	Confident	85.4	Confident	197 Å²	197	61 Å²	61	86%	0.857	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-66.5	134.4	169.8	-172.7	177.6	-178.8	-179.3	0	109.5	S336	K334-S336 PolarHBondContact O-N 3.32Å
335	D	84.3	Confident	84.9	Confident	57 Å²	57	61 Å²	61	31%	0.305	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-48.7	125	179.2	-63.8	-31	0	0	0	111.5	Y283 Y327 H328 R329	Y283-D335 PolarHBondContact OH-OD2 2.93Å; Y283-D335 VanDerWaalsContact OH-OD2 3.05Å; Y327-D335 HydrophobicContact CD1-CB 4.37Å; H328-D335 CarbonylContact O-C 3.54Å; H328-D335 WeakPolarHBondContact O-CA 3.09Å; R329-D335 WeakPolarHBondContact CA-OD1 3.48Å; R329-D335 WeakPolarHBondContact CG-OD1 3.4Å
336	S	83.2	Confident	84.2	Confident	44 Å²	44	62.7 Å²	62.7	31%	0.308	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	136.8	-179.5	-63.7	0	0	0	0	110.1	Y327 H328 K334	Y327-S336 CarbonylContact C-O 3.5Å; Y327-S336 WeakPolarHBondContact CA-O 3.27Å; H328-S336 PolarHBondContact N-O 2.87Å; H328-S336 PolarHBondContact O-N 3.09Å; K334-S336 PolarHBondContact O-N 3.32Å
337	Y	85.8	Confident	83.4	Confident	48 Å²	48	71.2 Å²	71.2	19%	0.188	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	133.3	-179.6	178.3	-123.2	0	0	0	110.8	K325 Y327 G339 R340 D363	K325-Y337 HydrophobicContact CB-CE2 4.07Å; K325-Y337 HydrophobicContact CD-CD2 4.48Å; K325-Y337 HydrophobicContact CD-CE2 3.74Å; K325-Y337 HydrophobicContact CG-CE2 4Å; K325-Y337 PolarHBondContact NZ-OH 2.9Å; Y327-Y337 HydrophobicContact CD1-CD2 4.24Å; Y327-Y337 AromaticContact CE1-CD2 3.83Å; Y327-Y337 HydrophobicContact CE1-CD2 3.83Å; Y327-Y337 HydrophobicContact CE1-CG 4.36Å; Y337-G339 VanDerWaalsContact CE2-C 3.43Å; Y337-G339 VanDerWaalsContact CE2-O 3.28Å; Y337-G339 WeakPolarHBondContact CE2-O 3.46Å; Y337-R340 WeakPolarHBondContact OH-CB 3.12Å; Y337-R340 WeakPolarHBondContact OH-CD 3.5Å; Y337-R340 VanDerWaalsContact OH-CG 3.29Å; Y337-R340 WeakPolarHBondContact OH-CG 3.38Å; Y337-R340 PolarHBondContact OH-N 3.1Å; Y337-D363 HydrophobicContact CE1-CB 3.84Å; Y337-D363 VanDerWaalsContact CE1-CG 3.44Å; Y337-D363 PolarHBondContact OH-OD1 3.02Å; Y337-D363 PolarHBondContact OH-OD2 2.93Å
338	I	85.1	Confident	83	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.015	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-48.2	175.7	-58.2	178.6	0	0	0	109.6	L271 P282 V326 H328 N362 S370	L271-I338 HydrophobicContact CB-CG2 4.49Å; P282-I338 HydrophobicContact CB-CD1 4.2Å; V326-I338 HydrophobicContact CB-CB 4.41Å; V326-I338 HydrophobicContact CG1-CB 4.46Å; V326-I338 HydrophobicContact CG1-CD1 4.18Å; V326-I338 PolarHBondContact O-N 2.79Å; H328-I338 HydrophobicContact CB-CD1 4.09Å; H328-I338 HydrophobicContact CB-CG1 4.22Å; I338-N362 PolarHBondContact O-ND2 3.23Å; I338-S370 WeakPolarHBondContact O-CB 3.47Å
339	G	88.4	Confident	82.6	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.5	-178.1	177.1	0	0	0	0	0	113.5	V326 Y337 E361	V326-G339 PolarHBondContact N-O 3.49Å; V326-G339 PolarHBondContact O-N 2.95Å; Y337-G339 VanDerWaalsContact CE2-C 3.43Å; Y337-G339 VanDerWaalsContact CE2-O 3.28Å; Y337-G339 WeakPolarHBondContact CE2-O 3.46Å; G339-E361 CarbonylContact C-O 3.52Å; G339-E361 WeakPolarHBondContact CA-O 3.4Å
340	R	89.9	Confident	82.3	Confident	64 Å²	64	69.5 Å²	69.5	24%	0.242	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	159.4	178.8	63.9	-178.1	-169.8	-152.8	16.2	112.7	L324 K325 Y337 L360 E361 D363	L324-R340 CarbonylContact O-C 3.43Å; L324-R340 VanDerWaalsContact O-CA 3.26Å; L324-R340 WeakPolarHBondContact O-CA 3.26Å; K325-R340 HydrophobicContact CG-CB 4.07Å; Y337-R340 WeakPolarHBondContact OH-CB 3.12Å; Y337-R340 WeakPolarHBondContact OH-CD 3.5Å; Y337-R340 VanDerWaalsContact OH-CG 3.29Å; Y337-R340 WeakPolarHBondContact OH-CG 3.38Å; Y337-R340 PolarHBondContact OH-N 3.1Å; R340-L360 CarbonylContact O-C 3.55Å; R340-L360 VanDerWaalsContact O-CA 3.31Å; R340-L360 WeakPolarHBondContact O-CA 2.98Å; R340-E361 HydrophobicContact CG-CB 4.08Å; R340-E361 IonicContact CZ-OE2 3.71Å; R340-E361 PolarHBondContact N-O 2.77Å; R340-E361 IonicContact NE-OE2 2.84Å; R340-E361 PolarHBondContact NE-OE2 3.21Å; R340-E361 IonicContact NH2-OE2 2.74Å; R340-E361 PolarHBondContact NH2-OE2 3.37Å; R340-E361 PolarHBondContact O-N 2.97Å; R340-D363 WeakPolarHBondContact CD-OD1 3.49Å; R340-D363 IonicContact CZ-OD1 2.71Å; R340-D363 IonicContact NE-OD1 3.76Å; R340-D363 PolarHBondContact NE-OD1 2.79Å; R340-D363 IonicContact NH1-OD1 2.9Å; R340-D363 PolarHBondContact NH1-OD1 3.06Å; R340-D363 IonicContact NH1-OD2 3.15Å
341	T	91	Very high	82.3	Confident	16 Å²	16	73.8 Å²	73.8	10%	0.098	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	162.8	152.4	-173.2	0	0	0	0	109.3	L324 S358 L360 I373 F375	L324-T341 HydrophobicContact CB-CG2 3.93Å; L324-T341 HydrophobicContact CD1-CG2 4.17Å; L324-T341 HydrophobicContact CG-CG2 4.37Å; L324-T341 PolarHBondContact N-O 3.25Å; L324-T341 PolarHBondContact O-N 2.9Å; T341-S358 WeakPolarHBondContact OG1-CB 3.44Å; T341-S358 PolarHBondContact OG1-OG 2.99Å; T341-L360 HydrophobicContact CG2-CD2 4.3Å; T341-I373 HydrophobicContact CG2-CG2 3.72Å; T341-F375 HydrophobicContact CG2-CE1 4.29Å
342	Q	90.3	Very high	82.6	Confident	116 Å²	116	73.8 Å²	73.8	54%	0.542	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.9	173.8	66.3	-177.9	8.9	0	0	110.2	P321 I322	P321-Q342 HydrophobicContact CB-CB 4.37Å; I322-Q342 WeakPolarHBondContact O-CA 3.47Å
343	F	88.7	Confident	83.1	Confident	11 Å²	11	70.7 Å²	70.7	5%	0.048	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	141.7	177.2	63.1	-85	0	0	0	111.1	L263 P321 I322 L324 L345 F356 F375 V377	L263-F343 HydrophobicContact CD1-CE1 4.42Å; L263-F343 HydrophobicContact CD1-CZ 4.08Å; P321-F343 CarbonylContact C-O 3.56Å; P321-F343 VanDerWaalsContact CA-O 3.22Å; P321-F343 WeakPolarHBondContact CA-O 3.45Å; P321-F343 WeakPolarHBondContact CB-O 3.27Å; I322-F343 HydrophobicContact CB-CD1 4.24Å; I322-F343 HydrophobicContact CB-CE1 3.7Å; I322-F343 HydrophobicContact CB-CE2 4.06Å; I322-F343 HydrophobicContact CB-CZ 3.61Å; I322-F343 HydrophobicContact CD1-CE2 3.85Å; I322-F343 HydrophobicContact CD1-CZ 3.72Å; I322-F343 HydrophobicContact CG1-CE2 4.31Å; I322-F343 HydrophobicContact CG1-CZ 4.18Å; I322-F343 HydrophobicContact CG2-CE1 3.68Å; I322-F343 HydrophobicContact CG2-CZ 3.73Å; I322-F343 PolarHBondContact N-O 3.19Å; I322-F343 PolarHBondContact O-N 3.14Å; I322-F343 VanDerWaalsContact O-N 3.12Å; L324-F343 HydrophobicContact CD1-CD1 4.49Å; L324-F343 HydrophobicContact CD1-CE1 3.98Å; L324-F343 HydrophobicContact CD2-CE1 4.3Å; L324-F343 HydrophobicContact CG-CE1 3.99Å; F343-L345 HydrophobicContact CD2-CD2 4.18Å; F343-L345 HydrophobicContact CE2-CD2 3.78Å; F343-F356 HydrophobicContact CB-CE1 4.39Å; F343-F375 AromaticContact CD1-CE2 3.54Å; F343-F375 HydrophobicContact CD1-CE2 3.54Å; F343-F375 AromaticContact CD1-CZ 3.54Å; F343-F375 HydrophobicContact CD1-CZ 3.54Å; F343-F375 HydrophobicContact CD2-CE2 4.42Å; F343-F375 HydrophobicContact CE1-CD2 4.34Å; F343-F375 AromaticContact CE1-CE2 3.5Å; F343-F375 HydrophobicContact CE1-CE2 3.5Å; F343-F375 VanDerWaalsContact CE1-CE2 3.5Å; F343-F375 AromaticContact CE1-CZ 3.89Å; F343-F375 HydrophobicContact CE1-CZ 3.89Å; F343-F375 HydrophobicContact CE2-CE2 4.39Å; F343-F375 HydrophobicContact CG-CE2 4.02Å; F343-F375 HydrophobicContact CG-CZ 4.13Å; F343-F375 AromaticContact CZ-CE2 3.94Å; F343-F375 HydrophobicContact CZ-CE2 3.94Å; F343-V377 HydrophobicContact CD2-CG2 4.2Å; F343-V377 HydrophobicContact CE2-CB 4.45Å; F343-V377 HydrophobicContact CE2-CG1 4.04Å; F343-V377 HydrophobicContact CE2-CG2 3.57Å; F343-V377 HydrophobicContact CZ-CG2 3.85Å
344	G	83.4	Confident	83.5	Confident	44 Å²	44	65.8 Å²	65.8	45%	0.454	33%	0.328	S	S	.	.			trans	-79.7	162.4	173.5	0	0	0	0	0	112
345	L	82.3	Confident	84.1	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	-115.9	-17.5	179.7	-62.1	171.3	0	0	0	113.7	V261 L315 L318 I322 F343 E347 L348 V377	V261-L345 HydrophobicContact CG1-CD2 4.46Å; V261-L345 HydrophobicContact CG2-CD1 4.28Å; V261-L345 HydrophobicContact CG2-CD2 4.44Å; L315-L345 HydrophobicContact CD1-CD1 3.39Å; L318-L345 HydrophobicContact CB-CB 4.03Å; L318-L345 HydrophobicContact CD1-CB 4.42Å; L318-L345 HydrophobicContact CD2-CB 3.86Å; L318-L345 HydrophobicContact CD2-CD1 3.74Å; L318-L345 HydrophobicContact CD2-CG 4.47Å; L318-L345 HydrophobicContact CG-CB 4.3Å; I322-L345 HydrophobicContact CD1-CD1 3.93Å; I322-L345 HydrophobicContact CD1-CD2 3.97Å; I322-L345 HydrophobicContact CD1-CG 4.31Å; I322-L345 HydrophobicContact CG1-CD1 4.11Å; I322-L345 HydrophobicContact CG1-CG 4.46Å; F343-L345 HydrophobicContact CD2-CD2 4.18Å; F343-L345 HydrophobicContact CE2-CD2 3.78Å; L345-E347 PolarHBondContact O-N 3.01Å; L345-L348 HydrophobicContact CD2-CD1 3.71Å; L345-L348 PolarHBondContact O-N 2.6Å; L345-V377 HydrophobicContact CD2-CG1 4.31Å
346	V	77	Confident	84.4	Confident	50 Å²	50	60.9 Å²	60.9	30%	0.303	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.2	-175.6	-175	0	0	0	0	112.8	L318	L318-V346 HydrophobicContact CB-CG2 3.94Å
347	E	74.5	Confident	84.7	Confident	178 Å²	178	63.8 Å²	63.8	83%	0.832	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	5.1	-178	-60.1	178.9	170.2	0	0	113.7	L345	L345-E347 PolarHBondContact O-N 3.01Å
348	L	81.1	Confident	84.8	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.026	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-96	126.1	-178.5	-57.4	178.3	0	0	0	111.3	V249 L345 Y354 F356 V377 L379	V249-L348 VanDerWaalsContact CG2-O 3.24Å; V249-L348 WeakPolarHBondContact CG2-O 3.4Å; L345-L348 HydrophobicContact CD2-CD1 3.71Å; L345-L348 PolarHBondContact O-N 2.6Å; L348-Y354 HydrophobicContact CB-CE2 4.18Å; L348-Y354 HydrophobicContact CD2-CD1 3.88Å; L348-Y354 HydrophobicContact CD2-CD2 3.68Å; L348-Y354 HydrophobicContact CD2-CE1 4.12Å; L348-Y354 HydrophobicContact CD2-CE2 3.95Å; L348-Y354 HydrophobicContact CD2-CG 3.63Å; L348-F356 HydrophobicContact CD2-CE2 4.21Å; L348-F356 HydrophobicContact CD2-CZ 4.05Å; L348-V377 HydrophobicContact CD1-CB 4.36Å; L348-V377 HydrophobicContact CD1-CG1 3.68Å; L348-L379 HydrophobicContact CB-CB 4.29Å; L348-L379 HydrophobicContact CB-CD2 4.18Å; L348-L379 HydrophobicContact CD1-CB 4.44Å
349	D	78.8	Confident	85	Confident	73 Å²	73	67.8 Å²	67.8	39%	0.39	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-65.8	153	167.6	-54.6	-39.6	0	0	0	110.5	K352 Y354	D349-K352 HydrophobicContact CB-CB 4.27Å; D349-K352 HydrophobicContact CB-CD 3.82Å; D349-K352 WeakPolarHBondContact OD2-CD 3.43Å; D349-K352 IonicContact OD2-NZ 2.61Å; D349-K352 PolarHBondContact OD2-NZ 2.93Å; D349-Y354 HydrophobicContact CB-CE2 4.43Å; D349-Y354 WeakPolarHBondContact CB-OH 3.43Å; D349-Y354 PolarHBondContact N-OH 2.91Å; D349-Y354 PolarHBondContact OD2-OH 3.18Å
350	L	80.9	Confident	84.9	Confident	70 Å²	70	67.8 Å²	67.8	37%	0.366	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-70	144.5	177.4	-72.2	166.1	0	0	0	112.7	W259 K352 L379	W259-L350 HydrophobicContact CE3-CD2 4.35Å; W259-L350 HydrophobicContact CZ3-CD2 3.8Å; L350-K352 PolarHBondContact O-N 3.21Å; L350-L379 WeakPolarHBondContact CA-O 3.4Å; L350-L379 HydrophobicContact CD2-CD2 4.36Å; L350-L379 HydrophobicContact CD2-CG 3.97Å
351	D	78.9	Confident	84.5	Confident	130 Å²	130	69 Å²	69	70%	0.695	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	17.7	176.3	-62.6	-56.7	0	0	0	115.7	L379 S380	D351-L379 PolarHBondContact N-O 3.48Å; D351-S380 WeakPolarHBondContact OD1-CB 3.45Å
352	K	80.9	Confident	83.8	Confident	101 Å²	101	69.9 Å²	69.9	44%	0.439	35%	0.35	S	S	.	.			trans	-106.7	135	-179.5	-175.4	178.5	176.9	179.9	0	111.2	D349 L350 Y354	D349-K352 HydrophobicContact CB-CB 4.27Å; D349-K352 HydrophobicContact CB-CD 3.82Å; D349-K352 WeakPolarHBondContact OD2-CD 3.43Å; D349-K352 IonicContact OD2-NZ 2.61Å; D349-K352 PolarHBondContact OD2-NZ 2.93Å; L350-K352 PolarHBondContact O-N 3.21Å; K352-Y354 HydrophobicContact CB-CD2 4.44Å; K352-Y354 HydrophobicContact CB-CE2 3.94Å; K352-Y354 HydrophobicContact CD-CE2 3.74Å; K352-Y354 HydrophobicContact CG-CD2 4.26Å; K352-Y354 HydrophobicContact CG-CE2 3.81Å; K352-Y354 WeakPolarHBondContact O-CD2 3.24Å
353	E	85.2	Confident	82.7	Confident	122 Å²	122	68.4 Å²	68.4	57%	0.57	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-88.6	119	177.6	-171.7	171	-142.8	0	0	111.2	Y376 V377 T378	E353-Y376 HydrophobicContact CG-CD1 4.1Å; E353-Y376 HydrophobicContact CG-CG 4.36Å; E353-Y376 VanDerWaalsContact OE1-CB 3.27Å; E353-Y376 WeakPolarHBondContact OE1-CB 3.08Å; E353-V377 WeakPolarHBondContact CA-O 3.49Å; E353-T378 HydrophobicContact CB-CG2 3.68Å; E353-T378 HydrophobicContact CG-CG2 4.08Å
354	Y	86.7	Confident	81.4	Confident	53 Å²	53	75.4 Å²	75.4	21%	0.208	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.7	177.3	-74.2	-105.8	0	0	0	110.5	L348 D349 K352 Y376 V377	L348-Y354 HydrophobicContact CB-CE2 4.18Å; L348-Y354 HydrophobicContact CD2-CD1 3.88Å; L348-Y354 HydrophobicContact CD2-CD2 3.68Å; L348-Y354 HydrophobicContact CD2-CE1 4.12Å; L348-Y354 HydrophobicContact CD2-CE2 3.95Å; L348-Y354 HydrophobicContact CD2-CG 3.63Å; D349-Y354 HydrophobicContact CB-CE2 4.43Å; D349-Y354 WeakPolarHBondContact CB-OH 3.43Å; D349-Y354 PolarHBondContact N-OH 2.91Å; D349-Y354 PolarHBondContact OD2-OH 3.18Å; K352-Y354 HydrophobicContact CB-CD2 4.44Å; K352-Y354 HydrophobicContact CB-CE2 3.94Å; K352-Y354 HydrophobicContact CD-CE2 3.74Å; K352-Y354 HydrophobicContact CG-CD2 4.26Å; K352-Y354 HydrophobicContact CG-CE2 3.81Å; K352-Y354 WeakPolarHBondContact O-CD2 3.24Å; Y354-Y376 CarbonylContact O-C 3.3Å; Y354-Y376 WeakPolarHBondContact O-CA 3.41Å; Y354-V377 PolarHBondContact N-O 2.94Å; Y354-V377 PolarHBondContact O-N 3.17Å
355	E	90.2	Very high	80	Confident	97 Å²	97	79.2 Å²	79.2	45%	0.453	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	127.9	172.1	-173	177.4	112.2	0	0	111.1	K374 Y376	E355-K374 WeakPolarHBondContact OE1-CE 3.06Å; E355-K374 IonicContact OE1-NZ 2.66Å; E355-K374 PolarHBondContact OE1-NZ 3.32Å; E355-K374 WeakPolarHBondContact OE2-CE 3.41Å; E355-K374 IonicContact OE2-NZ 2.6Å; E355-K374 PolarHBondContact OE2-NZ 3Å; E355-Y376 HydrophobicContact CB-CD1 3.77Å; E355-Y376 HydrophobicContact CB-CE1 3.57Å; E355-Y376 HydrophobicContact CG-CD1 3.98Å; E355-Y376 HydrophobicContact CG-CE1 3.45Å; E355-Y376 VanDerWaalsContact CG-CE1 3.45Å; E355-Y376 WeakPolarHBondContact OE2-CE1 3.49Å; E355-Y376 PolarHBondContact OE2-OH 2.94Å
356	F	89.4	Confident	78.7	Confident	53 Å²	53	88.4 Å²	88.4	23%	0.232	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	134.2	173.3	-72.5	-90.9	0	0	0	111	F343 L348 K374 F375 V377	F343-F356 HydrophobicContact CB-CE1 4.39Å; L348-F356 HydrophobicContact CD2-CE2 4.21Å; L348-F356 HydrophobicContact CD2-CZ 4.05Å; F356-K374 WeakPolarHBondContact O-CA 3.32Å; F356-F375 HydrophobicContact CB-CD1 4.08Å; F356-F375 HydrophobicContact CB-CD2 3.9Å; F356-F375 HydrophobicContact CB-CE1 3.69Å; F356-F375 HydrophobicContact CB-CE2 3.5Å; F356-F375 HydrophobicContact CB-CG 4.18Å; F356-F375 HydrophobicContact CB-CZ 3.39Å; F356-F375 HydrophobicContact CD1-CZ 4.35Å; F356-F375 HydrophobicContact CD2-CD2 4.32Å; F356-F375 AromaticContact CD2-CE2 3.83Å; F356-F375 HydrophobicContact CD2-CE2 3.83Å; F356-F375 HydrophobicContact CD2-CZ 4.42Å; F356-F375 HydrophobicContact CG-CD2 4.38Å; F356-F375 AromaticContact CG-CE2 3.71Å; F356-F375 HydrophobicContact CG-CE2 3.71Å; F356-F375 AromaticContact CG-CZ 3.82Å; F356-F375 HydrophobicContact CG-CZ 3.82Å; F356-F375 PolarHBondContact N-O 2.81Å; F356-F375 PolarHBondContact O-N 3.07Å; F356-V377 HydrophobicContact CD2-CB 4.39Å; F356-V377 HydrophobicContact CD2-CG2 3.76Å; F356-V377 HydrophobicContact CE2-CB 4.1Å; F356-V377 HydrophobicContact CE2-CG2 3.81Å
357	I	89.9	Confident	77.4	Confident	106 Å²	106	92.1 Å²	92.1	54%	0.544	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	96.9	168.9	-55	-179.6	0	0	0	107.4	K374	I357-K374 HydrophobicContact CD1-CD 4.05Å; I357-K374 HydrophobicContact CG1-CB 4.38Å; I357-K374 HydrophobicContact CG1-CD 3.96Å; I357-K374 HydrophobicContact CG1-CG 4.07Å
358	S	87.8	Confident	76.7	Confident	19 Å²	19	87 Å²	87	13%	0.133	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	138.9	-173.9	-60.5	0	0	0	0	112.1	T341 E372 I373	T341-S358 WeakPolarHBondContact OG1-CB 3.44Å; T341-S358 PolarHBondContact OG1-OG 2.99Å; S358-E372 CarbonylContact O-C 3.54Å; S358-E372 WeakPolarHBondContact O-CA 3.44Å; S358-I373 PolarHBondContact N-O 2.73Å; S358-I373 PolarHBondContact O-N 2.9Å
359	K	88.7	Confident	76	Confident	115 Å²	115	91.7 Å²	91.7	50%	0.5	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	148.6	167.6	-71.7	167.7	-177.4	176.3	0	110.2	E372	K359-E372 VanDerWaalsContact CE-OE1 3.26Å; K359-E372 WeakPolarHBondContact CE-OE1 3.5Å; K359-E372 HydrophobicContact CG-CG 3.79Å
360	L	87.3	Confident	76.1	Confident	1 Å²	1	88.4 Å²	88.4	1%	0.005	44%	0.442	C	S	.	.			trans	-96.4	115.9	-179.5	-64.7	174.3	0	0	0	110.9	L271 V326 R340 T341 S370 G371 I373	L271-L360 HydrophobicContact CD2-CD1 3.45Å; L271-L360 VanDerWaalsContact CD2-CD1 3.45Å; V326-L360 HydrophobicContact CB-CD1 4.31Å; V326-L360 HydrophobicContact CG2-CD1 3.81Å; V326-L360 HydrophobicContact CG2-CD2 3.88Å; R340-L360 CarbonylContact O-C 3.55Å; R340-L360 VanDerWaalsContact O-CA 3.31Å; R340-L360 WeakPolarHBondContact O-CA 2.98Å; T341-L360 HydrophobicContact CG2-CD2 4.3Å; L360-S370 PolarHBondContact O-N 2.61Å; L360-G371 PolarHBondContact N-O 3.18Å; L360-I373 HydrophobicContact CD2-CB 4.41Å; L360-I373 HydrophobicContact CD2-CG2 3.82Å; L360-I373 HydrophobicContact CG-CG2 4.42Å
361	E	82.3	Confident	76.3	Confident	90 Å²	90	85.3 Å²	85.3	42%	0.421	43%	0.426	S	S	.	.	B	Isolated β-bridge	trans	-77	147.3	171.4	-60.8	-177.1	159.8	0	0	110.9	G339 R340	G339-E361 CarbonylContact C-O 3.52Å; G339-E361 WeakPolarHBondContact CA-O 3.4Å; R340-E361 HydrophobicContact CG-CB 4.08Å; R340-E361 IonicContact CZ-OE2 3.71Å; R340-E361 PolarHBondContact N-O 2.77Å; R340-E361 IonicContact NE-OE2 2.84Å; R340-E361 PolarHBondContact NE-OE2 3.21Å; R340-E361 IonicContact NH2-OE2 2.74Å; R340-E361 PolarHBondContact NH2-OE2 3.37Å; R340-E361 PolarHBondContact O-N 2.97Å
362	N	76.1	Confident	76.9	Confident	34 Å²	34	81.4 Å²	81.4	18%	0.182	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-109.3	129.7	168.2	-161.9	-34.6	0	0	0	110.7	I338 L364 M365	I338-N362 PolarHBondContact O-ND2 3.23Å; N362-L364 PolarHBondContact O-N 2.91Å; N362-L364 PolarHBondContact OD1-N 2.67Å; N362-M365 CarbonylContact O-C 3.47Å; N362-M365 VanDerWaalsContact O-C 3.3Å; N362-M365 PolarHBondContact O-N 2.78Å; N362-M365 VanDerWaalsContact O-N 3.09Å
363	D	66.5	Low	77.4	Confident	84 Å²	84	76.7 Å²	76.7	45%	0.449	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-18.7	-177.8	-63.7	5.3	0	0	0	112.1	K325 Y337 R340	K325-D363 IonicContact NZ-OD1 3.27Å; K325-D363 IonicContact NZ-OD2 2.71Å; K325-D363 PolarHBondContact NZ-OD2 2.88Å; Y337-D363 HydrophobicContact CE1-CB 3.84Å; Y337-D363 VanDerWaalsContact CE1-CG 3.44Å; Y337-D363 PolarHBondContact OH-OD1 3.02Å; Y337-D363 PolarHBondContact OH-OD2 2.93Å; R340-D363 WeakPolarHBondContact CD-OD1 3.49Å; R340-D363 IonicContact CZ-OD1 2.71Å; R340-D363 IonicContact NE-OD1 3.76Å; R340-D363 PolarHBondContact NE-OD1 2.79Å; R340-D363 IonicContact NH1-OD1 2.9Å; R340-D363 PolarHBondContact NH1-OD1 3.06Å; R340-D363 IonicContact NH1-OD2 3.15Å
364	L	61.3	Low	77.8	Confident	158 Å²	158	73 Å²	73	83%	0.827	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-25.9	177.4	-66.8	168.4	0	0	0	114.6	N362	N362-L364 PolarHBondContact O-N 2.91Å; N362-L364 PolarHBondContact OD1-N 2.67Å
365	M	54.6	Low	78.1	Confident	124 Å²	124	70.5 Å²	70.5	61%	0.611	36%	0.355	S	S	*	.	B	Isolated β-bridge	trans	-151.2	104.1	179.8	-84.1	-170	162	0	0	110.3	N362 T367 V368	N362-M365 CarbonylContact O-C 3.47Å; N362-M365 VanDerWaalsContact O-C 3.3Å; N362-M365 PolarHBondContact O-N 2.78Å; N362-M365 VanDerWaalsContact O-N 3.09Å; M365-T367 PolarHBondContact O-N 3.28Å; M365-V368 HydrophobicContact CB-CG2 4.12Å; M365-V368 PolarHBondContact O-N 3.04Å; M365-V368 HydrophobicContact SD-CG2 4.09Å
366	K	53.9	Low	78.3	Confident	194 Å²	194	67.1 Å²	67.1	84%	0.843	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-14	-178.8	-70.1	-174.3	175.7	-177.6	0	115
367	T	51	Low	78.4	Confident	128 Å²	128	64.6 Å²	64.6	79%	0.785	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.3	-172.2	48.5	0	0	0	0	114.6	M365	M365-T367 PolarHBondContact O-N 3.28Å
368	V	59.8	Low	78.4	Confident	70 Å²	70	61.3 Å²	61.3	42%	0.424	31%	0.313	S	S	.	.			trans	-110.6	105.7	-174.1	-176.1	0	0	0	0	111.3	M365 S370	M365-V368 HydrophobicContact CB-CG2 4.12Å; M365-V368 PolarHBondContact O-N 3.04Å; M365-V368 HydrophobicContact SD-CG2 4.09Å; V368-S370 PolarHBondContact O-N 2.91Å; V368-S370 PolarHBondContact O-OG 3.03Å
369	N	66.5	Low	78.4	Confident	104 Å²	104	60.4 Å²	60.4	56%	0.556	31%	0.306	S	S	*	.			trans	-58.1	108.2	172.6	-69.8	-50.2	0	0	0	109.9	G371	N369-G371 PolarHBondContact O-N 3.04Å
370	S	79.2	Confident	78.3	Confident	4 Å²	4	56 Å²	56	3%	0.028	29%	0.29	C	S	.	.			trans	-90.1	14.2	-174.9	-63	0	0	0	0	113.9	V272 I338 L360 V368	V272-S370 PolarHBondContact N-O 3.48Å; V272-S370 VanDerWaalsContact N-O 3.14Å; I338-S370 WeakPolarHBondContact O-CB 3.47Å; L360-S370 PolarHBondContact O-N 2.61Å; V368-S370 PolarHBondContact O-N 2.91Å; V368-S370 PolarHBondContact O-OG 3.03Å
371	G	86.2	Confident	78.2	Confident	4 Å²	4	58 Å²	58	4%	0.041	30%	0.299	C	S	.	.			trans	130.9	-177.2	-177.6	0	0	0	0	0	112.1	A269 K270 L360 N369	A269-G371 WeakPolarHBondContact O-CA 3.33Å; K270-G371 WeakPolarHBondContact O-CA 3.29Å; L360-G371 PolarHBondContact N-O 3.18Å; N369-G371 PolarHBondContact O-N 3.04Å
372	E	90.8	Very high	78.2	Confident	49 Å²	49	54 Å²	54	23%	0.229	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.6	177.9	-73.7	164	158.2	0	0	108.9	G268 A269 K270 S358 K359	G268-E372 CarbonylContact C-O 3.35Å; G268-E372 VanDerWaalsContact CA-O 3.3Å; G268-E372 WeakPolarHBondContact CA-O 3.41Å; A269-E372 HydrophobicContact CB-CB 4.43Å; A269-E372 PolarHBondContact N-O 3.49Å; A269-E372 PolarHBondContact O-N 3.08Å; K270-E372 IonicContact NZ-OE2 3.75Å; K270-E372 PolarHBondContact NZ-OE2 2.81Å; K270-E372 VanDerWaalsContact NZ-OE2 3.15Å; S358-E372 CarbonylContact O-C 3.54Å; S358-E372 WeakPolarHBondContact O-CA 3.44Å; K359-E372 VanDerWaalsContact CE-OE1 3.26Å; K359-E372 WeakPolarHBondContact CE-OE1 3.5Å; K359-E372 HydrophobicContact CG-CG 3.79Å
373	I	92.1	Very high	78.4	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.9	175.3	-171.7	169.3	0	0	0	110.2	I265 V284 W307 V326 T341 S358 L360 F375	I265-I373 HydrophobicContact CG2-CD1 4.22Å; V284-I373 HydrophobicContact CG1-CD1 4.41Å; V284-I373 HydrophobicContact CG2-CD1 3.93Å; W307-I373 HydrophobicContact CH2-CD1 4.49Å; W307-I373 HydrophobicContact CZ3-CD1 4.04Å; W307-I373 HydrophobicContact CZ3-CG1 4.25Å; V326-I373 HydrophobicContact CG2-CD1 4.32Å; T341-I373 HydrophobicContact CG2-CG2 3.72Å; S358-I373 PolarHBondContact N-O 2.73Å; S358-I373 PolarHBondContact O-N 2.9Å; L360-I373 HydrophobicContact CD2-CB 4.41Å; L360-I373 HydrophobicContact CD2-CG2 3.82Å; L360-I373 HydrophobicContact CG-CG2 4.42Å; I373-F375 HydrophobicContact CG1-CD1 4.44Å; I373-F375 HydrophobicContact CG2-CD1 4.27Å; I373-F375 HydrophobicContact CG2-CE1 4.26Å
374	K	93.1	Very high	79.1	Confident	45 Å²	45	51.9 Å²	51.9	20%	0.196	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.6	179.3	178	162.6	176.1	147.2	0	110.4	K266 L267 E355 F356 I357 Y376	K266-K374 WeakPolarHBondContact CB-O 2.96Å; K266-K374 PolarHBondContact N-O 3.12Å; K266-K374 VanDerWaalsContact N-O 3.11Å; L267-K374 HydrophobicContact CD1-CB 4.18Å; L267-K374 HydrophobicContact CG-CB 4.33Å; L267-K374 PolarHBondContact N-O 2.72Å; L267-K374 PolarHBondContact O-N 3.44Å; E355-K374 WeakPolarHBondContact OE1-CE 3.06Å; E355-K374 IonicContact OE1-NZ 2.66Å; E355-K374 PolarHBondContact OE1-NZ 3.32Å; E355-K374 WeakPolarHBondContact OE2-CE 3.41Å; E355-K374 IonicContact OE2-NZ 2.6Å; E355-K374 PolarHBondContact OE2-NZ 3Å; F356-K374 WeakPolarHBondContact O-CA 3.32Å; I357-K374 HydrophobicContact CD1-CD 4.05Å; I357-K374 HydrophobicContact CG1-CB 4.38Å; I357-K374 HydrophobicContact CG1-CD 3.96Å; I357-K374 HydrophobicContact CG1-CG 4.07Å; K374-Y376 WeakPolarHBondContact CE-OH 3.45Å
375	F	93.8	Very high	79.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.9	-177.5	61.3	-84.5	0	0	0	111.1	L263 F264 L324 T341 F343 F356 I373 V377	L263-F375 HydrophobicContact CD1-CB 4.14Å; L263-F375 HydrophobicContact CD1-CD2 3.47Å; L263-F375 VanDerWaalsContact CD1-CD2 3.47Å; L263-F375 HydrophobicContact CD1-CE2 4.21Å; L263-F375 HydrophobicContact CD1-CG 4.11Å; F264-F375 CarbonylContact O-C 3.39Å; F264-F375 WeakPolarHBondContact O-CA 3.23Å; F264-F375 WeakPolarHBondContact O-CB 3.43Å; L324-F375 HydrophobicContact CD1-CD1 3.94Å; L324-F375 HydrophobicContact CD1-CD2 4.36Å; L324-F375 HydrophobicContact CD1-CE1 3.85Å; L324-F375 HydrophobicContact CD1-CE2 4.27Å; L324-F375 HydrophobicContact CD1-CG 4.2Å; L324-F375 HydrophobicContact CD1-CZ 4.02Å; T341-F375 HydrophobicContact CG2-CE1 4.29Å; F343-F375 AromaticContact CD1-CE2 3.54Å; F343-F375 HydrophobicContact CD1-CE2 3.54Å; F343-F375 AromaticContact CD1-CZ 3.54Å; F343-F375 HydrophobicContact CD1-CZ 3.54Å; F343-F375 HydrophobicContact CD2-CE2 4.42Å; F343-F375 HydrophobicContact CE1-CD2 4.34Å; F343-F375 AromaticContact CE1-CE2 3.5Å; F343-F375 HydrophobicContact CE1-CE2 3.5Å; F343-F375 VanDerWaalsContact CE1-CE2 3.5Å; F343-F375 AromaticContact CE1-CZ 3.89Å; F343-F375 HydrophobicContact CE1-CZ 3.89Å; F343-F375 HydrophobicContact CE2-CE2 4.39Å; F343-F375 HydrophobicContact CG-CE2 4.02Å; F343-F375 HydrophobicContact CG-CZ 4.13Å; F343-F375 AromaticContact CZ-CE2 3.94Å; F343-F375 HydrophobicContact CZ-CE2 3.94Å; F356-F375 HydrophobicContact CB-CD1 4.08Å; F356-F375 HydrophobicContact CB-CD2 3.9Å; F356-F375 HydrophobicContact CB-CE1 3.69Å; F356-F375 HydrophobicContact CB-CE2 3.5Å; F356-F375 HydrophobicContact CB-CG 4.18Å; F356-F375 HydrophobicContact CB-CZ 3.39Å; F356-F375 HydrophobicContact CD1-CZ 4.35Å; F356-F375 HydrophobicContact CD2-CD2 4.32Å; F356-F375 AromaticContact CD2-CE2 3.83Å; F356-F375 HydrophobicContact CD2-CE2 3.83Å; F356-F375 HydrophobicContact CD2-CZ 4.42Å; F356-F375 HydrophobicContact CG-CD2 4.38Å; F356-F375 AromaticContact CG-CE2 3.71Å; F356-F375 HydrophobicContact CG-CE2 3.71Å; F356-F375 AromaticContact CG-CZ 3.82Å; F356-F375 HydrophobicContact CG-CZ 3.82Å; F356-F375 PolarHBondContact N-O 2.81Å; F356-F375 PolarHBondContact O-N 3.07Å; I373-F375 HydrophobicContact CG1-CD1 4.44Å; I373-F375 HydrophobicContact CG2-CD1 4.27Å; I373-F375 HydrophobicContact CG2-CE1 4.26Å; F375-V377 HydrophobicContact CD2-CG2 3.78Å; F375-V377 HydrophobicContact CE2-CG2 3.76Å
376	Y	93.5	Very high	80.5	Confident	27 Å²	27	47.4 Å²	47.4	11%	0.106	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	149.4	175.2	-54.5	-99.2	0	0	0	110.4	L263 F264 K266 E353 Y354 E355 K374	L263-Y376 WeakPolarHBondContact CA-O 3.47Å; F264-Y376 AromaticContact CD1-CD2 3.48Å; F264-Y376 HydrophobicContact CD1-CD2 3.48Å; F264-Y376 VanDerWaalsContact CD1-CD2 3.48Å; F264-Y376 HydrophobicContact CD1-CE2 4.12Å; F264-Y376 HydrophobicContact CD1-CG 4.25Å; F264-Y376 HydrophobicContact CE1-CD2 4.05Å; F264-Y376 HydrophobicContact CE1-CE2 4.23Å; F264-Y376 HydrophobicContact CG-CD2 4.32Å; F264-Y376 PolarHBondContact N-O 3.44Å; F264-Y376 PolarHBondContact O-N 3.15Å; K266-Y376 HydrophobicContact CB-CE2 4.16Å; K266-Y376 HydrophobicContact CD-CE2 3.96Å; K266-Y376 PolarHBondContact NZ-OH 3.07Å; E353-Y376 HydrophobicContact CG-CD1 4.1Å; E353-Y376 HydrophobicContact CG-CG 4.36Å; E353-Y376 VanDerWaalsContact OE1-CB 3.27Å; E353-Y376 WeakPolarHBondContact OE1-CB 3.08Å; Y354-Y376 CarbonylContact O-C 3.3Å; Y354-Y376 WeakPolarHBondContact O-CA 3.41Å; E355-Y376 HydrophobicContact CB-CD1 3.77Å; E355-Y376 HydrophobicContact CB-CE1 3.57Å; E355-Y376 HydrophobicContact CG-CD1 3.98Å; E355-Y376 HydrophobicContact CG-CE1 3.45Å; E355-Y376 VanDerWaalsContact CG-CE1 3.45Å; E355-Y376 WeakPolarHBondContact OE2-CE1 3.49Å; E355-Y376 PolarHBondContact OE2-OH 2.94Å; K374-Y376 WeakPolarHBondContact CE-OH 3.45Å
377	V	92	Very high	81.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	135.7	-179.8	-170.9	0	0	0	0	109.8	V261 A262 L263 F343 L345 L348 E353 Y354 F356 F375	V261-V377 HydrophobicContact CG1-CG1 3.9Å; A262-V377 WeakPolarHBondContact O-CA 3.41Å; L263-V377 HydrophobicContact CD1-CG2 4.11Å; F343-V377 HydrophobicContact CD2-CG2 4.2Å; F343-V377 HydrophobicContact CE2-CB 4.45Å; F343-V377 HydrophobicContact CE2-CG1 4.04Å; F343-V377 HydrophobicContact CE2-CG2 3.57Å; F343-V377 HydrophobicContact CZ-CG2 3.85Å; L345-V377 HydrophobicContact CD2-CG1 4.31Å; L348-V377 HydrophobicContact CD1-CB 4.36Å; L348-V377 HydrophobicContact CD1-CG1 3.68Å; E353-V377 WeakPolarHBondContact CA-O 3.49Å; Y354-V377 PolarHBondContact N-O 2.94Å; Y354-V377 PolarHBondContact O-N 3.17Å; F356-V377 HydrophobicContact CD2-CB 4.39Å; F356-V377 HydrophobicContact CD2-CG2 3.76Å; F356-V377 HydrophobicContact CE2-CB 4.1Å; F356-V377 HydrophobicContact CE2-CG2 3.81Å; F375-V377 HydrophobicContact CD2-CG2 3.78Å; F375-V377 HydrophobicContact CE2-CG2 3.76Å
378	T	89.3	Confident	82.9	Confident	36 Å²	36	37 Å²	37	22%	0.221	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.5	165.5	45.2	0	0	0	0	108.8	V261 A262 E353	V261-T378 WeakPolarHBondContact CA-O 3.47Å; A262-T378 WeakPolarHBondContact CB-OG1 3.33Å; A262-T378 PolarHBondContact N-O 2.85Å; A262-T378 PolarHBondContact O-N 3.4Å; E353-T378 HydrophobicContact CB-CG2 3.68Å; E353-T378 HydrophobicContact CG-CG2 4.08Å
379	L	88.2	Confident	83.8	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.8	175.5	174.7	65.8	0	0	0	108.8	V249 W259 V261 L318 L348 L350 D351	V249-L379 HydrophobicContact CG1-CD2 4.46Å; V249-L379 HydrophobicContact CG2-CD2 4.43Å; W259-L379 HydrophobicContact CB-CD1 4.14Å; W259-L379 HydrophobicContact CD2-CD1 4.3Å; W259-L379 HydrophobicContact CE3-CD1 3.94Å; W259-L379 HydrophobicContact CE3-CG 4.33Å; W259-L379 HydrophobicContact CG-CD1 4.42Å; V261-L379 HydrophobicContact CG2-CD1 3.67Å; L318-L379 HydrophobicContact CD1-CD1 4.42Å; L318-L379 HydrophobicContact CD1-CD2 3.81Å; L318-L379 HydrophobicContact CD2-CD1 4.01Å; L348-L379 HydrophobicContact CB-CB 4.29Å; L348-L379 HydrophobicContact CB-CD2 4.18Å; L348-L379 HydrophobicContact CD1-CB 4.44Å; L350-L379 WeakPolarHBondContact CA-O 3.4Å; L350-L379 HydrophobicContact CD2-CD2 4.36Å; L350-L379 HydrophobicContact CD2-CG 3.97Å; D351-L379 PolarHBondContact N-O 3.48Å
380	S	86.9	Confident	84.4	Confident	24 Å²	24	37.5 Å²	37.5	17%	0.168	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	169.3	176.2	66.5	0	0	0	0	111.8	S260 D351	S260-S380 PolarHBondContact N-O 3.05Å; S260-S380 PolarHBondContact O-N 2.93Å; D351-S380 WeakPolarHBondContact OD1-CB 3.45Å
381	E	85.5	Confident	84.4	Confident	41 Å²	41	40.1 Å²	40.1	19%	0.192	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.3	174	-75.7	175.6	109.2	0	0	111.8	R254 Y257 W259	R254-E381 IonicContact CZ-OE1 2.95Å; R254-E381 IonicContact CZ-OE2 3.35Å; R254-E381 PolarHBondContact N-OE1 3.01Å; R254-E381 VanDerWaalsContact NH1-CD 3.32Å; R254-E381 IonicContact NH1-OE1 2.89Å; R254-E381 PolarHBondContact NH1-OE1 3.06Å; R254-E381 IonicContact NH1-OE2 3.9Å; R254-E381 PolarHBondContact NH1-OE2 3.08Å; R254-E381 VanDerWaalsContact NH2-CD 3.33Å; R254-E381 IonicContact NH2-OE1 3.28Å; R254-E381 IonicContact NH2-OE2 2.75Å; R254-E381 PolarHBondContact NH2-OE2 3.16Å; Y257-E381 HydrophobicContact CD1-CB 4.17Å; W259-E381 HydrophobicContact CE3-CG 3.53Å; W259-E381 HydrophobicContact CH2-CG 4.11Å; W259-E381 HydrophobicContact CZ3-CG 3.27Å
382	I	81.7	Confident	84.2	Confident	7 Å²	7	40.6 Å²	40.6	4%	0.036	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.7	176.4	177.2	179.5	0	0	0	109.3	Y257 F258 F386 I387 T625	Y257-I382 CarbonylContact C-O 3.56Å; Y257-I382 VanDerWaalsContact CA-O 3.32Å; Y257-I382 WeakPolarHBondContact CA-O 3.34Å; F258-I382 HydrophobicContact CB-CG2 4.09Å; F258-I382 PolarHBondContact N-O 2.83Å; F258-I382 VanDerWaalsContact O-CG2 3.31Å; F258-I382 WeakPolarHBondContact O-CG2 3.49Å; F258-I382 PolarHBondContact O-N 2.95Å; I382-F386 HydrophobicContact CD1-CB 4.31Å; I382-F386 HydrophobicContact CG1-CB 4.21Å; I382-I387 HydrophobicContact CD1-CD1 4.14Å; I382-I387 HydrophobicContact CD1-CG1 3.62Å; I382-I387 HydrophobicContact CG1-CD1 4.4Å; I382-I387 HydrophobicContact CG1-CG1 4.16Å; I382-I387 HydrophobicContact CG2-CD1 4.27Å; I382-T625 HydrophobicContact CB-CG2 4.46Å; I382-T625 HydrophobicContact CD1-CG2 3.46Å; I382-T625 VanDerWaalsContact CD1-CG2 3.46Å; I382-T625 HydrophobicContact CG1-CG2 3.89Å
383	S	81.6	Confident	83.8	Confident	26 Å²	26	45.7 Å²	45.7	18%	0.182	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	143.1	173.7	-175.6	0	0	0	0	111.2	G256 T385 F386	G256-S383 WeakPolarHBondContact O-CA 3.33Å; G256-S383 PolarHBondContact O-OG 3.36Å; S383-T385 PolarHBondContact O-N 2.84Å; S383-T385 PolarHBondContact OG-OG1 2.92Å; S383-F386 PolarHBondContact O-N 3.13Å
384	E	80.7	Confident	83.4	Confident	47 Å²	47	52.2 Å²	52.2	22%	0.22	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-48.9	-31.1	177.2	-70.9	177.4	179.4	0	0	114.1	G256 F258 F386 I387 K396	G256-E384 WeakPolarHBondContact O-CG 2.74Å; G256-E384 PolarHBondContact O-N 3Å; F258-E384 HydrophobicContact CD2-CG 4.07Å; F258-E384 HydrophobicContact CE2-CG 3.81Å; E384-F386 PolarHBondContact O-N 3.45Å; E384-I387 PolarHBondContact O-N 3.17Å; E384-I387 VanDerWaalsContact O-N 3.17Å; E384-K396 WeakPolarHBondContact OE1-CE 3.42Å; E384-K396 IonicContact OE1-NZ 3.45Å; E384-K396 PolarHBondContact OE1-NZ 3.01Å; E384-K396 WeakPolarHBondContact OE2-CE 3.35Å; E384-K396 IonicContact OE2-NZ 2.86Å; E384-K396 PolarHBondContact OE2-NZ 3.05Å
385	T	75.2	Confident	82.8	Confident	100 Å²	100	50.7 Å²	50.7	61%	0.613	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.8	-178.4	56.8	0	0	0	0	114.1	S383	S383-T385 PolarHBondContact O-N 2.84Å; S383-T385 PolarHBondContact OG-OG1 2.92Å
386	F	68.9	Low	82.3	Confident	89 Å²	89	54.9 Å²	54.9	39%	0.39	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-100	6.1	178.4	-64.1	-83.9	0	0	0	113.8	I382 S383 E384	I382-F386 HydrophobicContact CD1-CB 4.31Å; I382-F386 HydrophobicContact CG1-CB 4.21Å; S383-F386 PolarHBondContact O-N 3.13Å; E384-F386 PolarHBondContact O-N 3.45Å
387	I	77.2	Confident	81.8	Confident	13 Å²	13	60 Å²	60	7%	0.067	30%	0.302	C	S	.	.	S	Bend	trans	-108.8	144.5	-178.6	-55.8	174.6	0	0	0	109.6	F258 I382 E384 E391 C392 L395	F258-I387 HydrophobicContact CB-CD1 4.24Å; F258-I387 HydrophobicContact CD2-CD1 3.47Å; F258-I387 VanDerWaalsContact CD2-CD1 3.47Å; F258-I387 HydrophobicContact CE2-CD1 4.23Å; F258-I387 HydrophobicContact CG-CD1 4.23Å; I382-I387 HydrophobicContact CD1-CD1 4.14Å; I382-I387 HydrophobicContact CD1-CG1 3.62Å; I382-I387 HydrophobicContact CG1-CD1 4.4Å; I382-I387 HydrophobicContact CG1-CG1 4.16Å; I382-I387 HydrophobicContact CG2-CD1 4.27Å; E384-I387 PolarHBondContact O-N 3.17Å; E384-I387 VanDerWaalsContact O-N 3.17Å; I387-E391 HydrophobicContact CG2-CB 3.95Å; I387-E391 HydrophobicContact CG2-CG 4.11Å; I387-C392 HydrophobicContact CB-CB 4.27Å; I387-C392 HydrophobicContact CG2-CB 3.97Å; I387-L395 HydrophobicContact CD1-CD1 4.4Å
388	D	79.8	Confident	81.4	Confident	89 Å²	89	63.5 Å²	63.5	48%	0.476	32%	0.317	S	S	.	.			trans	-60.5	143.1	173.1	171.4	53.7	0	0	0	111.7	S390 E391 C392	D388-S390 PolarHBondContact O-N 2.78Å; D388-S390 WeakPolarHBondContact OD2-CA 3.49Å; D388-S390 WeakPolarHBondContact OD2-CB 3.28Å; D388-S390 PolarHBondContact OD2-N 2.83Å; D388-S390 PolarHBondContact OD2-OG 3.28Å; D388-E391 PolarHBondContact O-N 3.39Å; D388-E391 VanDerWaalsContact O-N 3.09Å; D388-C392 VanDerWaalsContact O-CB 3.28Å; D388-C392 WeakPolarHBondContact O-CB 3.49Å; D388-C392 PolarHBondContact O-N 3.4Å
389	N	77.9	Confident	80.9	Confident	122 Å²	122	62.6 Å²	62.6	65%	0.652	31%	0.311	S	S	*	.	H	α-helix	trans	-59.1	-29.5	-179.1	-76.7	-73.7	0	0	0	113.5	K393	N389-K393 WeakPolarHBondContact O-CB 3.18Å; N389-K393 WeakPolarHBondContact O-CG 3.46Å; N389-K393 PolarHBondContact O-N 3.12Å
390	S	78.8	Confident	80.4	Confident	63 Å²	63	70.5 Å²	70.5	44%	0.441	35%	0.345	S	S	.	.	H	α-helix	trans	-78.1	-31.6	177.5	83.9	0	0	0	0	112.7	D388 K394	D388-S390 PolarHBondContact O-N 2.78Å; D388-S390 WeakPolarHBondContact OD2-CA 3.49Å; D388-S390 WeakPolarHBondContact OD2-CB 3.28Å; D388-S390 PolarHBondContact OD2-N 2.83Å; D388-S390 PolarHBondContact OD2-OG 3.28Å; S390-K394 VanDerWaalsContact O-CD 3.3Å; S390-K394 WeakPolarHBondContact O-CD 3.45Å; S390-K394 WeakPolarHBondContact O-CE 3.4Å; S390-K394 VanDerWaalsContact O-CG 3.28Å; S390-K394 WeakPolarHBondContact O-CG 3.1Å
391	E	79.5	Confident	80.1	Confident	59 Å²	59	73.4 Å²	73.4	28%	0.276	36%	0.356	S	S	.	.	H	α-helix	trans	-79.3	-47.5	176	-171.4	-178.7	170.4	0	0	110.7	R314 I387 D388 K393 K394 L395	R314-E391 WeakPolarHBondContact CD-OE1 3.16Å; R314-E391 IonicContact CZ-OE1 2.72Å; R314-E391 IonicContact CZ-OE2 3.19Å; R314-E391 IonicContact NE-OE1 3.33Å; R314-E391 IonicContact NH1-OE1 3.48Å; R314-E391 PolarHBondContact NH1-OE1 3.46Å; R314-E391 IonicContact NH1-OE2 2.89Å; R314-E391 PolarHBondContact NH1-OE2 3.24Å; I387-E391 HydrophobicContact CG2-CB 3.95Å; I387-E391 HydrophobicContact CG2-CG 4.11Å; D388-E391 PolarHBondContact O-N 3.39Å; D388-E391 VanDerWaalsContact O-N 3.09Å; E391-K393 VanDerWaalsContact C-N 3.31Å; E391-K393 PolarHBondContact O-N 2.81Å; E391-K394 WeakPolarHBondContact O-CA 3.44Å; E391-K394 WeakPolarHBondContact O-CB 3.36Å; E391-K394 PolarHBondContact O-N 3.31Å; E391-L395 HydrophobicContact CG-CD1 4.08Å; E391-L395 HydrophobicContact CG-CG 4.44Å; E391-L395 WeakPolarHBondContact O-CG 3.42Å; E391-L395 PolarHBondContact O-N 2.98Å
392	C	81.8	Confident	79.4	Confident	14 Å²	14	73 Å²	73	10%	0.095	35%	0.354	C	S	.	.	H	α-helix	trans	-54.8	-44.1	175.2	-177.4	0	0	0	0	111.6	I387 D388 K394 L395 K396	I387-C392 HydrophobicContact CB-CB 4.27Å; I387-C392 HydrophobicContact CG2-CB 3.97Å; D388-C392 VanDerWaalsContact O-CB 3.28Å; D388-C392 WeakPolarHBondContact O-CB 3.49Å; D388-C392 PolarHBondContact O-N 3.4Å; C392-K394 PolarHBondContact O-N 2.96Å; C392-L395 PolarHBondContact O-N 3.43Å; C392-K396 WeakPolarHBondContact O-CB 3.39Å; C392-K396 WeakPolarHBondContact O-CG 3.48Å; C392-K396 PolarHBondContact O-N 3.42Å
393	K	81.9	Confident	79	Confident	156 Å²	156	76.2 Å²	76.2	68%	0.678	37%	0.368	S	S	*	.	H	α-helix	trans	-60.9	-38	173.7	-79.3	178.5	178.9	-174.6	0	113.6	N389 E391 K397	N389-K393 WeakPolarHBondContact O-CB 3.18Å; N389-K393 WeakPolarHBondContact O-CG 3.46Å; N389-K393 PolarHBondContact O-N 3.12Å; E391-K393 VanDerWaalsContact C-N 3.31Å; E391-K393 PolarHBondContact O-N 2.81Å; K393-K397 WeakPolarHBondContact O-CB 3.49Å; K393-K397 PolarHBondContact O-N 2.99Å; K393-K397 VanDerWaalsContact O-N 3.07Å
394	K	83.6	Confident	78.5	Confident	138 Å²	138	78.5 Å²	78.5	60%	0.6	38%	0.384	S	S	*	.	H	α-helix	trans	-69.2	-44.1	176.8	-69.3	162.8	-172.4	163.2	0	111.2	S390 E391 C392 K397 K398	S390-K394 VanDerWaalsContact O-CD 3.3Å; S390-K394 WeakPolarHBondContact O-CD 3.45Å; S390-K394 WeakPolarHBondContact O-CE 3.4Å; S390-K394 VanDerWaalsContact O-CG 3.28Å; S390-K394 WeakPolarHBondContact O-CG 3.1Å; E391-K394 WeakPolarHBondContact O-CA 3.44Å; E391-K394 WeakPolarHBondContact O-CB 3.36Å; E391-K394 PolarHBondContact O-N 3.31Å; C392-K394 PolarHBondContact O-N 2.96Å; K394-K397 PolarHBondContact O-N 3.17Å; K394-K398 PolarHBondContact O-N 3Å; K394-K398 VanDerWaalsContact O-N 3.12Å
395	L	81.5	Confident	78.1	Confident	13 Å²	13	83.6 Å²	83.6	7%	0.068	40%	0.401	C	S	.	.	H	α-helix	trans	-64	-46.7	177.5	-67.4	170.8	0	0	0	111.1	F258 R314 W316 I387 E391 C392 K397 K398 M399	F258-L395 HydrophobicContact CD1-CB 4.15Å; F258-L395 HydrophobicContact CD1-CD1 4.45Å; F258-L395 HydrophobicContact CD2-CD1 4.28Å; F258-L395 HydrophobicContact CE1-CB 3.54Å; F258-L395 HydrophobicContact CE2-CB 4.04Å; F258-L395 HydrophobicContact CE2-CD1 4.34Å; F258-L395 HydrophobicContact CG-CD1 4.31Å; F258-L395 HydrophobicContact CZ-CB 3.45Å; F258-L395 VanDerWaalsContact CZ-CB 3.45Å; F258-L395 HydrophobicContact CZ-CD1 4.5Å; R314-L395 HydrophobicContact CB-CD1 3.98Å; W316-L395 HydrophobicContact CE3-CD2 3.84Å; W316-L395 HydrophobicContact CZ3-CD2 4.44Å; I387-L395 HydrophobicContact CD1-CD1 4.4Å; E391-L395 HydrophobicContact CG-CD1 4.08Å; E391-L395 HydrophobicContact CG-CG 4.44Å; E391-L395 WeakPolarHBondContact O-CG 3.42Å; E391-L395 PolarHBondContact O-N 2.98Å; C392-L395 PolarHBondContact O-N 3.43Å; L395-K397 VanDerWaalsContact C-N 3.35Å; L395-K397 PolarHBondContact O-N 2.78Å; L395-K398 PolarHBondContact O-N 3.24Å; L395-M399 WeakPolarHBondContact O-CB 3.35Å; L395-M399 PolarHBondContact O-N 2.83Å
396	K	82.5	Confident	77.7	Confident	89 Å²	89	81 Å²	81	39%	0.387	39%	0.385	S	S	.	.	H	α-helix	trans	-59.8	-40.1	174.7	-73.8	-165	-176.7	-144.5	0	113.2	F258 E384 C392 M399 K400	F258-K396 HydrophobicContact CE2-CG 4.45Å; F258-K396 HydrophobicContact CZ-CG 3.84Å; E384-K396 WeakPolarHBondContact OE1-CE 3.42Å; E384-K396 IonicContact OE1-NZ 3.45Å; E384-K396 PolarHBondContact OE1-NZ 3.01Å; E384-K396 WeakPolarHBondContact OE2-CE 3.35Å; E384-K396 IonicContact OE2-NZ 2.86Å; E384-K396 PolarHBondContact OE2-NZ 3.05Å; C392-K396 WeakPolarHBondContact O-CB 3.39Å; C392-K396 WeakPolarHBondContact O-CG 3.48Å; C392-K396 PolarHBondContact O-N 3.42Å; K396-M399 PolarHBondContact O-N 2.87Å; K396-K400 PolarHBondContact O-N 3.33Å
397	K	84.3	Confident	77.3	Confident	135 Å²	135	83.9 Å²	83.9	59%	0.587	40%	0.398	S	S	*	.	H	α-helix	trans	-59.7	-52.4	175.4	177.5	169.3	172.8	172.3	0	110.6	K393 K394 L395 M399 K400 E401	K393-K397 WeakPolarHBondContact O-CB 3.49Å; K393-K397 PolarHBondContact O-N 2.99Å; K393-K397 VanDerWaalsContact O-N 3.07Å; K394-K397 PolarHBondContact O-N 3.17Å; L395-K397 VanDerWaalsContact C-N 3.35Å; L395-K397 PolarHBondContact O-N 2.78Å; K397-M399 VanDerWaalsContact C-N 3.35Å; K397-M399 PolarHBondContact O-N 3.16Å; K397-K400 PolarHBondContact O-N 3.2Å; K397-E401 WeakPolarHBondContact CE-OE1 3.28Å; K397-E401 IonicContact NZ-OE1 3.8Å; K397-E401 WeakPolarHBondContact O-CG 3.4Å; K397-E401 PolarHBondContact O-N 3.43Å
398	K	81.6	Confident	76.4	Confident	73 Å²	73	85.9 Å²	85.9	32%	0.317	42%	0.416	S	S	.	.	H	α-helix	trans	-61.2	-40.4	177.1	-70.7	-166.8	173.6	-164.6	0	113	W316 K394 L395 K400 E401 E402	W316-K398 HydrophobicContact CD2-CB 3.97Å; W316-K398 HydrophobicContact CD2-CD 4.23Å; W316-K398 HydrophobicContact CE3-CB 4.48Å; W316-K398 HydrophobicContact CE3-CD 4.11Å; W316-K398 HydrophobicContact CG-CB 4.22Å; W316-K398 HydrophobicContact CH2-CD 3.56Å; W316-K398 HydrophobicContact CZ2-CB 4.38Å; W316-K398 HydrophobicContact CZ2-CD 3.64Å; W316-K398 HydrophobicContact CZ3-CD 3.8Å; K394-K398 PolarHBondContact O-N 3Å; K394-K398 VanDerWaalsContact O-N 3.12Å; L395-K398 PolarHBondContact O-N 3.24Å; K398-K400 VanDerWaalsContact C-N 3.34Å; K398-K400 PolarHBondContact O-N 2.94Å; K398-E401 PolarHBondContact O-N 2.85Å; K398-E402 PolarHBondContact O-N 3.16Å
399	M	79	Confident	75.3	Confident	17 Å²	17	86.1 Å²	86.1	8%	0.084	42%	0.421	C	S	.	.	H	α-helix	trans	-62.1	-40	177.2	-166.6	-174.2	-168.6	0	0	111.9	F252 P253 F258 W316 L395 K396 K397 K403	F252-M399 HydrophobicContact CD1-CE 4.42Å; F252-M399 HydrophobicContact CD1-CG 4.5Å; P253-M399 HydrophobicContact CG-CE 4Å; F258-M399 HydrophobicContact CE1-SD 3.92Å; W316-M399 HydrophobicContact CB-CB 4.02Å; W316-M399 HydrophobicContact CB-CG 4.35Å; L395-M399 WeakPolarHBondContact O-CB 3.35Å; L395-M399 PolarHBondContact O-N 2.83Å; K396-M399 PolarHBondContact O-N 2.87Å; K397-M399 VanDerWaalsContact C-N 3.35Å; K397-M399 PolarHBondContact O-N 3.16Å; M399-K403 VanDerWaalsContact O-CB 3.31Å; M399-K403 WeakPolarHBondContact O-CB 2.98Å; M399-K403 WeakPolarHBondContact O-CG 3.47Å; M399-K403 PolarHBondContact O-N 3.49Å
400	K	79	Confident	73.9	Confident	165 Å²	165	85.4 Å²	85.4	72%	0.717	41%	0.414	S	S	*	.	H	α-helix	trans	-69.3	-42.3	175	-172.4	176.3	-179.7	-180	0	111.8	K396 K397 K398 S404	K396-K400 PolarHBondContact O-N 3.33Å; K397-K400 PolarHBondContact O-N 3.2Å; K398-K400 VanDerWaalsContact C-N 3.34Å; K398-K400 PolarHBondContact O-N 2.94Å; K400-S404 WeakPolarHBondContact O-CB 3.08Å; K400-S404 PolarHBondContact O-N 3.02Å; K400-S404 PolarHBondContact O-OG 3.48Å
401	E	79.2	Confident	72.1	Confident	86 Å²	86	89.8 Å²	89.8	40%	0.402	43%	0.425	S	S	.	.	H	α-helix	trans	-58.9	-48.7	175.3	-71.7	166.6	163.4	0	0	110.9	K397 K398 S404 R405	K397-E401 WeakPolarHBondContact CE-OE1 3.28Å; K397-E401 IonicContact NZ-OE1 3.8Å; K397-E401 WeakPolarHBondContact O-CG 3.4Å; K397-E401 PolarHBondContact O-N 3.43Å; K398-E401 PolarHBondContact O-N 2.85Å; E401-S404 PolarHBondContact O-N 2.99Å; E401-S404 PolarHBondContact O-OG 3.24Å; E401-R405 WeakPolarHBondContact O-CG 3.48Å; E401-R405 PolarHBondContact O-N 3Å; E401-R405 VanDerWaalsContact O-N 3.13Å
402	E	72.4	Confident	70.4	Confident	32 Å²	32	91.8 Å²	91.8	15%	0.15	45%	0.446	C	S	.	.	H	α-helix	trans	-71	-43.7	179.7	-139.5	77.4	-102.7	0	0	112.7	N289 K398 S404 R405 V406	N289-E402 PolarHBondContact ND2-OE2 3.36Å; N289-E402 VanDerWaalsContact ND2-OE2 3.16Å; K398-E402 PolarHBondContact O-N 3.16Å; E402-S404 PolarHBondContact O-N 2.87Å; E402-R405 WeakPolarHBondContact O-CB 3.41Å; E402-R405 PolarHBondContact O-N 2.86Å; E402-R405 WeakPolarHBondContact OE1-CD 3.44Å; E402-R405 IonicContact OE1-CZ 3.81Å; E402-R405 IonicContact OE1-NE 3.54Å; E402-R405 IonicContact OE1-NH1 3.5Å; E402-R405 PolarHBondContact OE1-NH1 2.68Å; E402-V406 WeakPolarHBondContact O-CG2 3.22Å; E402-V406 PolarHBondContact O-N 3.03Å
403	K	72.8	Confident	68.6	Low	75 Å²	75	95.5 Å²	95.5	33%	0.326	47%	0.471	S	S	.	.	H	α-helix	trans	-54.9	-39.3	172.6	-81.9	-172.1	173.6	-178	0	110.9	F252 D255 M399 F407	F252-K403 HydrophobicContact CD1-CG 4.08Å; F252-K403 HydrophobicContact CD2-CG 4.46Å; F252-K403 HydrophobicContact CE1-CG 3.73Å; F252-K403 HydrophobicContact CE2-CG 4.14Å; F252-K403 HydrophobicContact CG-CG 4.43Å; F252-K403 HydrophobicContact CZ-CG 3.77Å; D255-K403 IonicContact OD1-NZ 2.72Å; D255-K403 PolarHBondContact OD1-NZ 2.8Å; M399-K403 VanDerWaalsContact O-CB 3.31Å; M399-K403 WeakPolarHBondContact O-CB 2.98Å; M399-K403 WeakPolarHBondContact O-CG 3.47Å; M399-K403 PolarHBondContact O-N 3.49Å; K403-F407 WeakPolarHBondContact O-CB 3.45Å; K403-F407 PolarHBondContact O-N 3.48Å
404	S	71	Confident	66.6	Low	73 Å²	73	95.7 Å²	95.7	51%	0.51	48%	0.475	S	S	.	.	H	α-helix	trans	-70.7	-27.9	177.2	70.5	0	0	0	0	114.5	K400 E401 E402 A408	K400-S404 WeakPolarHBondContact O-CB 3.08Å; K400-S404 PolarHBondContact O-N 3.02Å; K400-S404 PolarHBondContact O-OG 3.48Å; E401-S404 PolarHBondContact O-N 2.99Å; E401-S404 PolarHBondContact O-OG 3.24Å; E402-S404 PolarHBondContact O-N 2.87Å; S404-A408 PolarHBondContact O-N 3.05Å
405	R	72.4	Confident	64.2	Low	154 Å²	154	95.8 Å²	95.8	58%	0.581	48%	0.481	S	S	*	.	H	α-helix	trans	-73.2	-47.1	173.8	-75.6	168	162.7	-166	-6	112	E401 E402 F407 A408 T409	E401-R405 WeakPolarHBondContact O-CG 3.48Å; E401-R405 PolarHBondContact O-N 3Å; E401-R405 VanDerWaalsContact O-N 3.13Å; E402-R405 WeakPolarHBondContact O-CB 3.41Å; E402-R405 PolarHBondContact O-N 2.86Å; E402-R405 WeakPolarHBondContact OE1-CD 3.44Å; E402-R405 IonicContact OE1-CZ 3.81Å; E402-R405 IonicContact OE1-NE 3.54Å; E402-R405 IonicContact OE1-NH1 3.5Å; E402-R405 PolarHBondContact OE1-NH1 2.68Å; R405-F407 VanDerWaalsContact C-N 3.32Å; R405-F407 PolarHBondContact O-N 3.07Å; R405-A408 WeakPolarHBondContact O-CB 3.19Å; R405-A408 PolarHBondContact O-N 3.45Å; R405-A408 VanDerWaalsContact O-N 3.13Å; R405-T409 PolarHBondContact O-N 2.96Å; R405-T409 PolarHBondContact O-OG1 2.77Å; R405-T409 VanDerWaalsContact O-OG1 3.14Å
406	V	66.6	Low	61.8	Low	47 Å²	47	101.4 Å²	101.4	29%	0.285	52%	0.518	S	S	.	.	H	α-helix	trans	-57	-48.6	178.2	175.6	0	0	0	0	110	F252 E402 A408 T409 E410	F252-V406 HydrophobicContact CE2-CG2 4.46Å; F252-V406 HydrophobicContact CZ-CG2 4.28Å; E402-V406 WeakPolarHBondContact O-CG2 3.22Å; E402-V406 PolarHBondContact O-N 3.03Å; V406-A408 VanDerWaalsContact C-N 3.29Å; V406-A408 PolarHBondContact O-N 3.1Å; V406-T409 WeakPolarHBondContact CA-OG1 3.48Å; V406-T409 PolarHBondContact O-N 3.19Å; V406-T409 VanDerWaalsContact O-N 3.12Å; V406-T409 PolarHBondContact O-OG1 2.96Å; V406-E410 HydrophobicContact CG1-CG 4.4Å; V406-E410 WeakPolarHBondContact O-CG 3.15Å; V406-E410 PolarHBondContact O-N 3.45Å
407	F	59.9	Low	59.4	Low	148 Å²	148	100.5 Å²	100.5	65%	0.649	54%	0.535	S	S	*	.	H	α-helix	trans	-59.2	-37.8	177.7	-140	-92.7	0	0	0	112.9	K403 R405 F411	K403-F407 WeakPolarHBondContact O-CB 3.45Å; K403-F407 PolarHBondContact O-N 3.48Å; R405-F407 VanDerWaalsContact C-N 3.32Å; R405-F407 PolarHBondContact O-N 3.07Å; F407-F411 WeakPolarHBondContact O-CB 3.2Å; F407-F411 PolarHBondContact O-N 1.78Å; F407-F411 VanDerWaalsContact O-N 3.09Å
408	A	59.8	Low	56.9	Low	55 Å²	55	100.4 Å²	100.4	46%	0.455	55%	0.546	S	S	.	.	H	α-helix	trans	-69	-40.6	175.7	0	0	0	0	0	112.4	S404 R405 V406 F411 S412	S404-A408 PolarHBondContact O-N 3.05Å; R405-A408 WeakPolarHBondContact O-CB 3.19Å; R405-A408 PolarHBondContact O-N 3.45Å; R405-A408 VanDerWaalsContact O-N 3.13Å; V406-A408 VanDerWaalsContact C-N 3.29Å; V406-A408 PolarHBondContact O-N 3.1Å; A408-F411 PolarHBondContact O-N 2.84Å; A408-S412 PolarHBondContact O-N 2.83Å; A408-S412 PolarHBondContact O-OG 2.96Å
409	T	56.5	Low	54.5	Low	94 Å²	94	104.1 Å²	104.1	58%	0.577	57%	0.569	S	S	*	*	H	α-helix	trans	-68.6	-35.9	175.9	42.8	0	0	0	0	113.2	R405 V406 S412 S413	R405-T409 PolarHBondContact O-N 2.96Å; R405-T409 PolarHBondContact O-OG1 2.77Å; R405-T409 VanDerWaalsContact O-OG1 3.14Å; V406-T409 WeakPolarHBondContact CA-OG1 3.48Å; V406-T409 PolarHBondContact O-N 3.19Å; V406-T409 VanDerWaalsContact O-N 3.12Å; V406-T409 PolarHBondContact O-OG1 2.96Å; T409-S412 PolarHBondContact O-N 3.17Å; T409-S413 PolarHBondContact O-N 2.96Å
410	E	47	Very low	52	Low	108 Å²	108	108.4 Å²	108.4	51%	0.505	60%	0.6	S	S	.	*	H	α-helix	trans	-64.4	-46	173.8	-71.9	175.1	145.7	0	0	110.4	V406 S412 S413	V406-E410 HydrophobicContact CG1-CG 4.4Å; V406-E410 WeakPolarHBondContact O-CG 3.15Å; V406-E410 PolarHBondContact O-N 3.45Å; E410-S412 PolarHBondContact O-N 2.96Å; E410-S413 PolarHBondContact O-N 3.2Å; E410-S413 VanDerWaalsContact O-N 3.07Å; E410-S413 PolarHBondContact O-OG 2.66Å
411	F	42	Very low	49.5	Very low	155 Å²	155	105.5 Å²	105.5	68%	0.68	60%	0.601	S	S	*	*	H	α-helix	trans	-64.9	-37.2	177.8	-138.9	-93.1	0	0	0	113	F407 A408 S413	F407-F411 WeakPolarHBondContact O-CB 3.2Å; F407-F411 PolarHBondContact O-N 1.78Å; F407-F411 VanDerWaalsContact O-N 3.09Å; A408-F411 PolarHBondContact O-N 2.84Å; F411-S413 PolarHBondContact O-N 3.17Å
412	S	44.4	Very low	47.2	Very low	101 Å²	101	107.9 Å²	107.9	71%	0.706	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-10.3	173.6	-66.6	0	0	0	0	114.6	A408 T409 E410	A408-S412 PolarHBondContact O-N 2.83Å; A408-S412 PolarHBondContact O-OG 2.96Å; T409-S412 PolarHBondContact O-N 3.17Å; E410-S412 PolarHBondContact O-N 2.96Å
413	S	44	Very low	44.9	Very low	91 Å²	91	114 Å²	114	64%	0.636	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-2.4	-179	72.2	0	0	0	0	114.9	T409 E410 F411	T409-S413 PolarHBondContact O-N 2.96Å; E410-S413 PolarHBondContact O-N 3.2Å; E410-S413 VanDerWaalsContact O-N 3.07Å; E410-S413 PolarHBondContact O-OG 2.66Å; F411-S413 PolarHBondContact O-N 3.17Å
414	Q	38.7	Very low	42.8	Very low	161 Å²	161	117.1 Å²	117.1	75%	0.752	67%	0.673	S	S	*	*	S	Bend	trans	-107.4	18.5	-176.6	-63.8	-166.2	-5.3	0	0	115
415	L	33.3	Very low	40.6	Very low	140 Å²	140	121.7 Å²	121.7	73%	0.733	69%	0.687	S	S	*	*			trans	-120	114.7	177.1	-82.4	162.6	0	0	0	111.7	G417	L415-G417 PolarHBondContact O-N 2.86Å
416	P	32.2	Very low	38.5	Very low	130 Å²	130	120 Å²	120	84%	0.844	70%	0.699	S	S	*	*			trans	-69.3	125.6	169.5	29.4	-32.3	0	0	0	109.3
417	G	32.2	Very low	36.5	Very low	71 Å²	71	124 Å²	124	73%	0.732	72%	0.718	S	S	*	*			trans	-93.2	167.3	-156.2	0	0	0	0	0	117.4	L415	L415-G417 PolarHBondContact O-N 2.86Å
418	T	31.4	Very low	34.9	Very low	133 Å²	133	123.4 Å²	123.4	82%	0.816	72%	0.722	S	S	*	*			trans	-144	113.3	158.3	44.4	0	0	0	0	111.5
419	N	30.3	Very low	33.4	Very low	151 Å²	151	131.1 Å²	131.1	81%	0.807	74%	0.74	S	S	*	*			trans	43.9	115.9	142	-57.3	-8	0	0	0	122.6
420	S	26.8	Very low	31.9	Very low	106 Å²	106	131.4 Å²	131.4	74%	0.741	75%	0.747	S	S	*	*				77.6	96	125.8	-53.9	0	0	0	0	123
421	S	25.8	Very low	30.9	Very low	105 Å²	105	132.6 Å²	132.6	73%	0.734	76%	0.761	S	S	*	*				52.5	118.2	126.4	63.9	0	0	0	0	123.3
422	T	31	Very low	30	Very low	136 Å²	136	129.4 Å²	129.4	83%	0.834	76%	0.763	S	S	*	*				-173	118.9	111.4	27.2	0	0	0	0	115.7
423	L	23.9	Very low	29.2	Very low	159 Å²	159	133 Å²	133	83%	0.832	77%	0.769	S	S	*	*				39.2	139.4	125.1	-97.6	158.3	0	0	0	125.1
424	I	29.3	Very low	28.4	Very low	142 Å²	142	135.9 Å²	135.9	73%	0.728	78%	0.777	S	S	*	*			trans	94.3	87.6	154.7	-55.8	167.4	0	0	0	120.3
425	Q	25.3	Very low	28	Very low	169 Å²	169	137 Å²	137	79%	0.79	79%	0.786	S	S	*	*				29.1	124.8	113.1	-172	179	10.3	0	0	122.4
426	S	27.7	Very low	27.7	Very low	119 Å²	119	133.8 Å²	133.8	83%	0.832	79%	0.787	S	S	*	*			trans	-176.6	165.1	131.7	37.2	0	0	0	0	112.5
427	D	25.1	Very low	27.5	Very low	131 Å²	131	133.3 Å²	133.3	70%	0.701	78%	0.781	S	S	*	*			trans	-112.2	155.6	-166.1	-49.1	-88.7	0	0	0	114.7
428	N	26	Very low	27.3	Very low	134 Å²	134	136.2 Å²	136.2	72%	0.717	79%	0.787	S	S	*	*				143.3	156.8	122.1	-80.1	-58.5	0	0	0	118.9
429	Y	27.5	Very low	27	Very low	217 Å²	217	136.7 Å²	136.7	85%	0.851	78%	0.783	S	S	*	*			trans	71	170.6	157.4	-71.6	-59.2	0	0	0	120.9
430	S	25.4	Very low	27	Very low	101 Å²	101	135.7 Å²	135.7	71%	0.706	78%	0.782	S	S	*	*			trans	-161.8	175.5	-149.7	55.9	0	0	0	0	112.8
431	V	26	Very low	27	Very low	133 Å²	133	141.9 Å²	141.9	81%	0.806	79%	0.789	S	S	*	*			trans	95.2	97.7	168.2	-172.2	0	0	0	0	117.8
432	A	24.4	Very low	27	Very low	88 Å²	88	142.6 Å²	142.6	73%	0.727	79%	0.794	S	S	*	*			trans	76.1	151.9	131.8	0	0	0	0	0	124.6
433	E	27.6	Very low	26.9	Very low	177 Å²	177	139.4 Å²	139.4	83%	0.827	79%	0.789	S	S	*	*			trans	64	93.8	154.6	-73.1	178.2	165.6	0	0	122.6
434	N	27.4	Very low	27	Very low	151 Å²	151	139.4 Å²	139.4	81%	0.807	79%	0.788	S	S	*	*				31.7	124.4	122.4	-64.3	-19.7	0	0	0	120.6
435	I	28.8	Very low	26.9	Very low	185 Å²	185	139.3 Å²	139.3	95%	0.949	79%	0.788	S	S	*	*				-163.5	141.8	113.4	-98.7	152.6	0	0	0	108.4
436	G	27.5	Very low	27	Very low	72 Å²	72	138 Å²	138	74%	0.742	79%	0.786	S	S	*	*			trans	147.3	63.5	173.8	0	0	0	0	0	116.4
437	V	28.5	Very low	26.9	Very low	119 Å²	119	136.9 Å²	136.9	72%	0.721	78%	0.778	S	S	*	*			trans	-142.5	135.1	171.5	-162.6	0	0	0	0	110.6	I439	V437-I439 HydrophobicContact CG1-CD1 4.1Å; V437-I439 HydrophobicContact CG1-CG1 3.78Å
438	P	27.2	Very low	26.9	Very low	132 Å²	132	135.8 Å²	135.8	86%	0.857	78%	0.78	S	S	*	*			trans	-94.3	113.1	161.4	32.7	-26.2	0	0	0	110.9
439	I	26	Very low	27.1	Very low	144 Å²	144	135.1 Å²	135.1	74%	0.738	78%	0.781	S	S	*	*			trans	-122.7	119.2	171.2	-65.3	172.2	0	0	0	110	V437	V437-I439 HydrophobicContact CG1-CD1 4.1Å; V437-I439 HydrophobicContact CG1-CG1 3.78Å
440	V	30.1	Very low	27.1	Very low	129 Å²	129	131.1 Å²	131.1	78%	0.782	78%	0.78	S	S	*	*			trans	-152.4	129.2	164	179.4	0	0	0	0	106.5
441	R	27.3	Very low	27.3	Very low	236 Å²	236	131.6 Å²	131.6	89%	0.891	78%	0.783	S	S	*	*			cis	-155.5	173	-12.6	-114.9	176.2	-172.6	161.2	0.3	107.2
442	S	25.7	Very low	27.6	Very low	120 Å²	120	129.4 Å²	129.4	84%	0.839	77%	0.774	S	S	*	*			trans	-125.3	142.9	-179.7	49.6	0	0	0	0	114.3
443	G	27.6	Very low	27.8	Very low	70 Å²	70	133.5 Å²	133.5	72%	0.722	78%	0.777	S	S	*	*			trans	89.5	163.1	155.4	0	0	0	0	0	118.6
444	I	26.3	Very low	27.9	Very low	159 Å²	159	133.3 Å²	133.3	82%	0.815	78%	0.777	S	S	*	*			cis	-157.8	169.6	-16.8	-29.6	169.4	0	0	0	108.5
445	I	28	Very low	28	Very low	140 Å²	140	131.4 Å²	131.4	72%	0.718	78%	0.775	S	S	*	*			trans	99.7	132	147.9	-74.2	163.5	0	0	0	121.2
446	N	27.5	Very low	27.7	Very low	141 Å²	141	130.3 Å²	130.3	75%	0.754	77%	0.771	S	S	*	*			trans	74.5	93.6	156.9	-73.7	1.1	0	0	0	125.4
447	S	25	Very low	28.1	Very low	96 Å²	96	132 Å²	132	67%	0.671	77%	0.769	S	S	*	*				44.9	127.4	110.7	67.2	0	0	0	0	123.7
448	S	24.8	Very low	28	Very low	107 Å²	107	135.1 Å²	135.1	75%	0.748	78%	0.776	S	S	*	*				143.3	164.6	109.3	67.1	0	0	0	0	115.2
449	V	30	Very low	27.9	Very low	120 Å²	120	132.9 Å²	132.9	73%	0.727	76%	0.764	S	S	*	*			trans	63.4	96.1	164.8	-177.7	0	0	0	0	115.6
450	T	27.6	Very low	28	Very low	134 Å²	134	132.2 Å²	132.2	82%	0.822	76%	0.762	S	S	*	*				57	141.7	84.8	69.2	0	0	0	0	114.7
451	S	30.5	Very low	27.8	Very low	111 Å²	111	134.2 Å²	134.2	78%	0.776	76%	0.762	S	S	*	*			cis	-153.4	-175.3	12.4	65	0	0	0	0	109.5
452	S	30.8	Very low	27.8	Very low	87 Å²	87	127.5 Å²	127.5	61%	0.608	75%	0.752	S	S	*	*			cis	-162.5	154	10.5	57.6	0	0	0	0	111.9
453	Q	29.8	Very low	27.7	Very low	173 Å²	173	128.4 Å²	128.4	81%	0.808	75%	0.747	S	S	*	*			trans	62.8	152.1	154.6	-68.2	172.1	16.8	0	0	117.3
454	Q	30.4	Very low	27.8	Very low	174 Å²	174	132.6 Å²	132.6	81%	0.813	75%	0.747	S	S	*	*			cis	-146.7	162.4	1.7	-119.4	168.1	1.9	0	0	106.3
455	S	27.9	Very low	27.7	Very low	111 Å²	111	131 Å²	131	78%	0.776	74%	0.74	S	S	*	*			cis	-153.6	170.6	5.6	57.5	0	0	0	0	110.6
456	N	23.3	Very low	27.4	Very low	161 Å²	161	128.5 Å²	128.5	86%	0.861	74%	0.736	S	S	*	*			trans	-142.2	158.6	172.7	-150.1	29.8	0	0	0	107.6
457	P	35	Very low	27.3	Very low	109 Å²	109	128.1 Å²	128.1	71%	0.708	74%	0.738	S	S	*	*			trans	-93.4	155.8	-161.1	35.6	-36	0	0	0	116.4
458	Q	28	Very low	27.3	Very low	183 Å²	183	130.9 Å²	130.9	86%	0.855	74%	0.741	S	S	*	*			trans	-141.4	138.9	155.6	-64.8	-175.5	-71.1	0	0	106.5
459	S	25	Very low	27.4	Very low	86 Å²	86	132.5 Å²	132.5	60%	0.601	74%	0.739	S	S	*	*			cis	92.5	97.9	23.3	81.2	0	0	0	0	115.6
460	N	27	Very low	27.2	Very low	130 Å²	130	132 Å²	132	70%	0.695	74%	0.736	S	S	*	*				172.5	136.9	112.2	-87.2	-8.8	0	0	0	115.3
461	Q	27.1	Very low	27.3	Very low	171 Å²	171	132.3 Å²	132.3	80%	0.799	73%	0.733	S	S	*	*			trans	66.5	145	137.8	-70.5	164.3	-11.3	0	0	120.1
462	S	25.9	Very low	27	Very low	95 Å²	95	131.1 Å²	131.1	66%	0.664	73%	0.725	S	S	*	*			cis	-165.1	146.1	-1.3	45.9	0	0	0	0	115.3
463	N	24.1	Very low	27	Very low	138 Å²	138	132.9 Å²	132.9	74%	0.738	73%	0.732	S	S	*	*			trans	77.6	150.8	141.9	-65.8	12.7	0	0	0	124.2
464	H	29.7	Very low	27	Very low	158 Å²	158	132.5 Å²	132.5	73%	0.731	73%	0.73	S	S	*	*			trans	86	104	157.4	-69.5	-60.1	0	0	0	122.2
465	D	23.9	Very low	26.9	Very low	126 Å²	126	130.1 Å²	130.1	67%	0.674	72%	0.723	S	S	*	*				65.5	109	125.8	-76.3	-72.8	0	0	0	124.2
466	S	23.2	Very low	26.8	Very low	88 Å²	88	131.2 Å²	131.2	62%	0.615	72%	0.719	S	S	*	*				68.5	148.3	110.2	-55.3	0	0	0	0	121.9
467	T	24.6	Very low	27.1	Very low	132 Å²	132	130.8 Å²	130.8	81%	0.81	71%	0.712	S	S	*	*			trans	70.3	148.1	172.5	68.3	0	0	0	0	116
468	E	24.5	Very low	26.7	Very low	155 Å²	155	131.7 Å²	131.7	72%	0.724	71%	0.711	S	S	*	*			cis	-166.3	169.7	-6.1	-122.4	-178.1	158	0	0	111.2
469	I	26.3	Very low	26.6	Very low	140 Å²	140	129 Å²	129	72%	0.718	70%	0.703	S	S	*	*			trans	65.7	142.7	145.1	-73.6	167.5	0	0	0	117.9
470	V	27.4	Very low	26.7	Very low	109 Å²	109	132.6 Å²	132.6	66%	0.661	72%	0.715	S	S	*	*			cis	-169.2	169.3	-5.6	132.2	0	0	0	0	105.3
471	D	28.3	Very low	26.6	Very low	142 Å²	142	129.3 Å²	129.3	76%	0.759	71%	0.712	S	S	*	*			cis	-126.9	-176.4	17.5	-97.3	-54.6	0	0	0	110.8
472	S	25.7	Very low	26.6	Very low	86 Å²	86	130.3 Å²	130.3	60%	0.601	72%	0.717	S	S	*	*			cis	121.1	145.3	-3.4	-47.3	0	0	0	0	115.1
473	T	30.8	Very low	26.8	Very low	123 Å²	123	130.8 Å²	130.8	76%	0.755	72%	0.717	S	S	*	*			trans	100.4	108.6	-178.9	63.3	0	0	0	0	115.2
474	E	28.9	Very low	27	Very low	166 Å²	166	132.1 Å²	132.1	78%	0.776	73%	0.725	S	S	*	*				86.8	136.6	60.5	-72.8	168.8	170	0	0	111.4
475	D	29.1	Very low	26.8	Very low	123 Å²	123	132.3 Å²	132.3	66%	0.658	73%	0.73	S	S	*	*			cis	-143.3	157.8	14.7	-97.6	-35.4	0	0	0	111.1
476	L	25.4	Very low	26.9	Very low	134 Å²	134	131.1 Å²	131.1	70%	0.702	73%	0.732	S	S	*	*				56	141.6	74.8	-54.5	-178.9	0	0	0	114.2
477	Q	29.6	Very low	27.1	Very low	152 Å²	152	136.5 Å²	136.5	71%	0.71	74%	0.744	S	S	*	*			cis	-162.4	156.7	12	-129.4	155.3	16.4	0	0	112
478	N	26.7	Very low	27.1	Very low	129 Å²	129	139.7 Å²	139.7	69%	0.69	75%	0.75	S	S	*	*			trans	31.4	158.8	137.6	-63.5	42.8	0	0	0	122.7
479	D	26	Very low	27.1	Very low	126 Å²	126	135 Å²	135	67%	0.674	74%	0.743	S	S	*	*			cis	-162.6	173.6	-3.4	-118.9	-35.6	0	0	0	111.8
480	D	25.8	Very low	27.1	Very low	162 Å²	162	134.6 Å²	134.6	87%	0.866	74%	0.742	S	S	*	*			trans	57.7	154	160	-75.5	-41.9	0	0	0	121.4
481	G	25.7	Very low	27	Very low	61 Å²	61	138.3 Å²	138.3	63%	0.629	75%	0.75	S	S	*	*			cis	175.5	137.4	-8.3	0	0	0	0	0	114.8
482	Q	27.1	Very low	26.9	Very low	191 Å²	191	136.2 Å²	136.2	89%	0.893	75%	0.746	S	S	*	*			trans	63.2	179.3	167	-52.4	-161.1	-6.1	0	0	118.6
483	P	30.8	Very low	27	Very low	105 Å²	105	137.9 Å²	137.9	68%	0.682	75%	0.747	S	S	*	*				-131.5	167.1	-75.7	39.9	-25.6	0	0	0	113.9
484	N	27.8	Very low	26.9	Very low	166 Å²	166	139.3 Å²	139.3	89%	0.888	75%	0.746	S	S	*	*			trans	-158	150.1	155.1	-117.6	-56.2	0	0	0	115.9
485	L	25	Very low	26.8	Very low	162 Å²	162	137.9 Å²	137.9	85%	0.848	74%	0.744	S	S	*	*			trans	-75.2	135.2	179.5	-96.9	60.1	0	0	0	112.1
486	S	25.1	Very low	26.6	Very low	101 Å²	101	142.9 Å²	142.9	71%	0.706	75%	0.753	S	S	*	*				-178.9	148.3	120.3	50.9	0	0	0	0	114.5
487	K	27.8	Very low	26.8	Very low	202 Å²	202	142.4 Å²	142.4	88%	0.878	75%	0.75	S	S	*	*			trans	52	82.3	153.9	-63.3	167.2	-175.9	173.6	0	117.7
488	Q	25.5	Very low	26.6	Very low	199 Å²	199	142.2 Å²	142.2	93%	0.93	75%	0.749	S	S	*	*			trans	-106.5	83.3	152	-166.2	168.9	13.1	0	0	110.6
489	G	24.5	Very low	26.7	Very low	57 Å²	57	142.4 Å²	142.4	59%	0.588	75%	0.75	S	S	*	*			trans	-102	148.8	162.9	0	0	0	0	0	110.5
490	D	26.3	Very low	26.7	Very low	130 Å²	130	143.9 Å²	143.9	70%	0.695	76%	0.758	S	S	*	*			trans	42.7	74.7	160	-58.4	-29.4	0	0	0	118.3
491	K	26	Very low	27	Very low	188 Å²	188	143.9 Å²	143.9	82%	0.817	75%	0.746	S	S	*	*	S	Bend	trans	-126.3	10.8	153.9	-75	-165.9	175	-178	0	114.7
492	S	26.1	Very low	27.4	Very low	98 Å²	98	144.2 Å²	144.2	69%	0.685	74%	0.736	S	S	*	*	S	Bend	trans	-100.5	-4.3	176.3	49.5	0	0	0	0	114.4
493	L	27.6	Very low	27.5	Very low	120 Å²	120	141.7 Å²	141.7	63%	0.628	72%	0.724	S	S	*	*	S	Bend	trans	-99.5	-9.2	-172.8	-97.6	165.7	0	0	0	115.6
494	Q	27.1	Very low	27.7	Very low	154 Å²	154	148.6 Å²	148.6	72%	0.72	74%	0.737	S	S	*	*	S	Bend	trans	-92.1	-26.6	-179.8	-78	178.2	-44.8	0	0	113.9	R496	Q494-R496 VanDerWaalsContact C-N 3.27Å; Q494-R496 PolarHBondContact O-N 3.25Å
495	N	26.9	Very low	28.2	Very low	136 Å²	136	143.4 Å²	143.4	73%	0.727	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	34.9	179	-63.4	23	0	0	0	112.7
496	R	26.8	Very low	28.7	Very low	227 Å²	227	143 Å²	143	86%	0.857	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.7	13.6	167.6	-76.8	-164.1	179.6	-157.5	1.9	112.9	Q494 E498	Q494-R496 VanDerWaalsContact C-N 3.27Å; Q494-R496 PolarHBondContact O-N 3.25Å; R496-E498 VanDerWaalsContact C-N 3.34Å
497	I	28.9	Very low	29.6	Very low	125 Å²	125	140.6 Å²	140.6	64%	0.641	69%	0.686	S	S	*	*			trans	-102.7	47.7	175.9	-41.8	-177.5	0	0	0	109.5
498	E	24.8	Very low	30.5	Very low	147 Å²	147	136.4 Å²	136.4	69%	0.687	67%	0.672	S	S	*	*	S	Bend	trans	-103.3	116.4	175.2	-68	-176.3	158.9	0	0	110.2	R496 N500	R496-E498 VanDerWaalsContact C-N 3.34Å; E498-N500 VanDerWaalsContact C-N 3.28Å; E498-N500 PolarHBondContact O-N 3.23Å
499	D	28.1	Very low	31.9	Very low	133 Å²	133	127.5 Å²	127.5	71%	0.711	63%	0.631	S	S	*	*	S	Bend	trans	51.2	2.6	151.1	-68.8	4.2	0	0	0	122.6	W501	D499-W501 PolarHBondContact O-N 2.83Å
500	N	27	Very low	33.5	Very low	158 Å²	158	127.7 Å²	127.7	85%	0.845	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	23.2	175.2	-85.3	-48	0	0	0	115.7	E498 T502	E498-N500 VanDerWaalsContact C-N 3.28Å; E498-N500 PolarHBondContact O-N 3.23Å; N500-T502 VanDerWaalsContact C-N 3.3Å; N500-T502 PolarHBondContact O-N 2.87Å
501	W	32.2	Very low	35.2	Very low	161 Å²	161	122.3 Å²	122.3	61%	0.61	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-7.4	177.4	-67.8	91.9	0	0	0	114.3	D499 Q695	D499-W501 PolarHBondContact O-N 2.83Å; W501-Q695 PolarHBondContact O-NE2 2.8Å
502	T	33.4	Very low	37.1	Very low	68 Å²	68	113.7 Å²	113.7	42%	0.417	56%	0.556	S	S	.	*			trans	-123.4	83.8	179.9	60.5	0	0	0	0	112.5	N500 K681	N500-T502 VanDerWaalsContact C-N 3.3Å; N500-T502 PolarHBondContact O-N 2.87Å; T502-K681 PolarHBondContact OG1-NZ 2.86Å
503	E	30.6	Very low	39.3	Very low	138 Å²	138	113.4 Å²	113.4	65%	0.645	55%	0.546	S	S	*	.			trans	-54.2	153.8	157	-65.9	-175.3	124	0	0	110.2	N505 N693	E503-N505 PolarHBondContact O-N 3.21Å; E503-N693 PolarHBondContact OE2-ND2 3.28Å
504	R	34.7	Very low	41.6	Very low	250 Å²	250	107.8 Å²	107.8	94%	0.943	52%	0.517	S	S	*	.			trans	-67.6	96.4	-175.7	-63	-174.3	-164.6	168.4	6.5	111.4	Q506	R504-Q506 PolarHBondContact O-N 3.32Å
505	N	36.8	Very low	43.9	Very low	58 Å²	58	101.5 Å²	101.5	31%	0.31	49%	0.489	S	S	.	.			trans	-51	109.1	172.7	-67.6	-60.6	0	0	0	110.9	E503 S507 F690 K691	E503-N505 PolarHBondContact O-N 3.21Å; N505-S507 PolarHBondContact O-N 3.4Å; N505-F690 HydrophobicContact CB-CD1 4.42Å; N505-K691 PolarHBondContact OD1-O 2.9Å
506	Q	36.9	Very low	46.1	Very low	153 Å²	153	95.7 Å²	95.7	72%	0.715	46%	0.457	S	S	*	.			trans	-68.6	105.1	171.3	-79.8	-173.4	-16.1	0	0	109.8	R504 L508	R504-Q506 PolarHBondContact O-N 3.32Å; Q506-L508 PolarHBondContact O-N 3.34Å
507	S	42.7	Very low	48.5	Very low	51 Å²	51	86.6 Å²	86.6	36%	0.357	43%	0.425	S	S	.	.			trans	-75	120	177.6	49.4	0	0	0	0	111	N505 L509 P510 C689	N505-S507 PolarHBondContact O-N 3.4Å; S507-L509 PolarHBondContact O-N 2.84Å; S507-P510 WeakPolarHBondContact OG-CA 3.38Å; S507-C689 WeakPolarHBondContact CA-O 3.29Å
508	L	47.8	Very low	51.1	Low	113 Å²	113	80.8 Å²	80.8	59%	0.592	40%	0.396	S	S	*	.	S	Bend	trans	-69.7	-18	171.3	-76.5	165.9	0	0	0	112.7	Q506 C689 H704	Q506-L508 PolarHBondContact O-N 3.34Å; L508-C689 HydrophobicContact CB-CB 4.39Å; L508-H704 VanDerWaalsContact CD1-CE1 3.5Å; L508-H704 WeakPolarHBondContact CD1-CE1 3.07Å
509	L	55.4	Low	53.8	Low	12 Å²	12	73.9 Å²	73.9	6%	0.063	36%	0.363	C	S	.	.	S	Bend	trans	-129	79.4	173.5	-70.5	168.5	0	0	0	107.7	S507 C689 L706 N801 E826	S507-L509 PolarHBondContact O-N 2.84Å; L509-C689 HydrophobicContact CB-CB 4.35Å; L509-L706 HydrophobicContact CD1-CD2 3.95Å; L509-N801 HydrophobicContact CD1-CB 4.15Å; L509-E826 VanDerWaalsContact CD2-OE1 3.32Å; L509-E826 WeakPolarHBondContact CD2-OE1 3.35Å
510	P	57.4	Low	56.2	Low	62 Å²	62	69.9 Å²	69.9	40%	0.403	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-67.4	155.5	178.1	29.1	-35.1	0	0	0	111.1	S507	S507-P510 WeakPolarHBondContact OG-CA 3.38Å
511	Q	62.1	Low	58.5	Low	16 Å²	16	64.3 Å²	64.3	8%	0.075	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-65.1	144.1	167.7	-69.5	-163.5	-16.4	0	0	110.3	W686 K765	Q511-W686 HydrophobicContact CB-CZ2 4.34Å; Q511-W686 HydrophobicContact CG-CD2 4.33Å; Q511-W686 HydrophobicContact CG-CZ2 3.9Å; Q511-W686 VanDerWaalsContact NE2-CD1 3.35Å; Q511-W686 VanDerWaalsContact NE2-CG 3.27Å; Q511-K765 PolarHBondContact O-NZ 3.45Å
512	P	65	Low	60.9	Low	8 Å²	8	57.1 Å²	57.1	5%	0.052	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-58.5	144.9	154	-19.7	33.8	0	0	0	109.2	W514 W686 P824	P512-W514 VanDerWaalsContact C-N 3.31Å; P512-W514 HydrophobicContact CB-CD2 3.59Å; P512-W514 HydrophobicContact CB-CE3 4.24Å; P512-W514 HydrophobicContact CB-CG 3.83Å; P512-W514 HydrophobicContact CB-CH2 4.47Å; P512-W514 HydrophobicContact CB-CZ2 3.85Å; P512-W514 HydrophobicContact CG-CD2 4.1Å; P512-W514 HydrophobicContact CG-CE3 4.38Å; P512-W514 HydrophobicContact CG-CH2 3.95Å; P512-W514 HydrophobicContact CG-CZ2 3.62Å; P512-W514 HydrophobicContact CG-CZ3 4.28Å; P512-W514 PolarHBondContact O-N 2.98Å; P512-W686 HydrophobicContact CG-CH2 4.45Å; P512-P824 HydrophobicContact CG-CB 3.75Å; P512-P824 HydrophobicContact CG-CG 3.58Å
513	I	73.3	Confident	62.9	Low	92 Å²	92	55 Å²	55	47%	0.472	28%	0.282	S	S	.	.			trans	-93.1	82.2	175.3	-59.9	173.2	0	0	0	104.1
514	W	74.9	Confident	65	Low	2 Å²	2	48.6 Å²	48.6	1%	0.008	25%	0.252	C	S	.	.			trans	-97.4	151.5	179.5	-69.8	-28.9	0	0	0	110.7	P512 F518 Y519 W686 Y756 Y757 W771 V822 P824	P512-W514 VanDerWaalsContact C-N 3.31Å; P512-W514 HydrophobicContact CB-CD2 3.59Å; P512-W514 HydrophobicContact CB-CE3 4.24Å; P512-W514 HydrophobicContact CB-CG 3.83Å; P512-W514 HydrophobicContact CB-CH2 4.47Å; P512-W514 HydrophobicContact CB-CZ2 3.85Å; P512-W514 HydrophobicContact CG-CD2 4.1Å; P512-W514 HydrophobicContact CG-CE3 4.38Å; P512-W514 HydrophobicContact CG-CH2 3.95Å; P512-W514 HydrophobicContact CG-CZ2 3.62Å; P512-W514 HydrophobicContact CG-CZ3 4.28Å; P512-W514 PolarHBondContact O-N 2.98Å; W514-F518 HydrophobicContact CB-CB 4.11Å; W514-F518 HydrophobicContact CB-CD2 3.75Å; W514-F518 HydrophobicContact CB-CE2 4.48Å; W514-F518 HydrophobicContact CB-CG 4.18Å; W514-F518 AromaticContact CD1-CD2 3.76Å; W514-F518 AromaticContact CD1-CE2 3.95Å; W514-F518 HydrophobicContact CD2-CD2 4.06Å; W514-F518 HydrophobicContact CG-CB 4.5Å; W514-F518 AromaticContact CG-CD2 3.59Å; W514-F518 HydrophobicContact CG-CD2 3.59Å; W514-F518 HydrophobicContact CG-CE2 4.23Å; W514-F518 HydrophobicContact CG-CG 4.44Å; W514-Y519 HydrophobicContact CB-CE2 4.13Å; W514-Y519 HydrophobicContact CE3-CE1 4.17Å; W514-Y519 HydrophobicContact CE3-CE2 4.38Å; W514-Y519 AromaticContact CE3-CZ 3.77Å; W514-Y519 HydrophobicContact CZ3-CE1 4.49Å; W514-W686 HydrophobicContact CH2-CH2 4.46Å; W514-W686 AromaticContact CZ3-CH2 3.9Å; W514-W686 HydrophobicContact CZ3-CH2 3.9Å; W514-W686 HydrophobicContact CZ3-CZ3 4.15Å; W514-Y756 AromaticContact CD1-CZ 3.99Å; W514-Y756 AromaticContact NE1-CE1 3.98Å; W514-Y757 VanDerWaalsContact CZ2-OH 3.27Å; W514-Y757 WeakPolarHBondContact CZ2-OH 3.31Å; W514-Y757 AromaticContact NE1-CZ 3.91Å; W514-Y757 PolarHBondContact NE1-OH 3.3Å; W514-W771 HydrophobicContact CH2-CB 4.48Å; W514-W771 AromaticContact CH2-CD1 3.67Å; W514-W771 HydrophobicContact CH2-CG 4.41Å; W514-W771 HydrophobicContact CZ2-CB 4.15Å; W514-W771 AromaticContact CZ2-CD1 3.86Å; W514-W771 HydrophobicContact CZ2-CG 4.43Å; W514-W771 AromaticContact CZ3-CD1 3.85Å; W514-V822 HydrophobicContact CE3-CG1 4.33Å; W514-V822 HydrophobicContact CH2-CG1 3.87Å; W514-V822 HydrophobicContact CZ3-CG1 3.42Å; W514-V822 VanDerWaalsContact CZ3-CG1 3.42Å; W514-P824 HydrophobicContact CH2-CB 4.12Å; W514-P824 HydrophobicContact CH2-CG 3.94Å; W514-P824 HydrophobicContact CZ2-CB 4.34Å
515	P	76.3	Confident	66.9	Low	21 Å²	21	40.6 Å²	40.6	14%	0.136	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-70.2	157	171.5	-0.2	16.5	0	0	0	110.8	N517 F518 T535	P515-N517 VanDerWaalsContact C-N 3.29Å; P515-N517 PolarHBondContact O-N 2.74Å; P515-F518 HydrophobicContact CG-CD1 4.16Å; P515-F518 HydrophobicContact CG-CE1 3.87Å; P515-F518 HydrophobicContact CG-CZ 4.11Å; P515-F518 WeakPolarHBondContact O-CB 3.32Å; P515-F518 PolarHBondContact O-N 2.87Å; P515-F518 VanDerWaalsContact O-N 3.11Å; P515-T535 WeakPolarHBondContact CB-O 3.48Å
516	Y	73.5	Confident	68.4	Low	14 Å²	14	40.3 Å²	40.3	6%	0.055	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-56.5	-33.6	-172.5	-69.5	-35.6	0	0	0	115.8	F518 Y519 T528 C531 D534 E537 S538 I539 L542	Y516-F518 VanDerWaalsContact C-N 3.26Å; Y516-F518 PolarHBondContact O-N 2.86Å; Y516-Y519 PolarHBondContact O-N 2.84Å; Y516-T528 HydrophobicContact CD1-CG2 3.67Å; Y516-T528 HydrophobicContact CG-CG2 3.79Å; Y516-C531 HydrophobicContact CD2-CB 4.2Å; Y516-C531 HydrophobicContact CE2-CB 3.88Å; Y516-D534 WeakPolarHBondContact CD2-O 3.32Å; Y516-D534 WeakPolarHBondContact CE2-O 3.35Å; Y516-E537 WeakPolarHBondContact CE1-O 3.33Å; Y516-E537 HydrophobicContact CE2-CB 3.68Å; Y516-E537 WeakPolarHBondContact OH-CB 3.43Å; Y516-S538 PolarHBondContact OH-O 2.99Å; Y516-I539 HydrophobicContact CD1-CG1 4.3Å; Y516-I539 HydrophobicContact CE1-CG1 4.36Å; Y516-L542 HydrophobicContact CD1-CD1 4.06Å; Y516-L542 HydrophobicContact CE1-CD1 3.37Å; Y516-L542 HydrophobicContact CE1-CG 3.86Å
517	N	76.9	Confident	69.6	Low	37 Å²	37	33.4 Å²	33.4	20%	0.198	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-69.9	-18.1	-179.8	64.5	-28.6	0	0	0	113.8	P515 Y519 E520 T749 Q752	P515-N517 VanDerWaalsContact C-N 3.29Å; P515-N517 PolarHBondContact O-N 2.74Å; N517-Y519 PolarHBondContact O-N 2.89Å; N517-E520 VanDerWaalsContact O-CB 3.26Å; N517-E520 WeakPolarHBondContact O-CB 3.31Å; N517-E520 PolarHBondContact O-N 2.98Å; N517-T749 HydrophobicContact CB-CG2 4.33Å; N517-T749 PolarHBondContact ND2-OG1 3.4Å; N517-T749 WeakPolarHBondContact O-CG2 3.4Å; N517-Q752 PolarHBondContact ND2-OE1 2.87Å
518	F	83.1	Confident	70.4	Confident	3 Å²	3	31.8 Å²	31.8	1%	0.013	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-66.8	-1.2	177.6	-74.5	26.5	0	0	0	113.4	W514 P515 Y516 Q752 V753 Y756 W771	W514-F518 HydrophobicContact CB-CB 4.11Å; W514-F518 HydrophobicContact CB-CD2 3.75Å; W514-F518 HydrophobicContact CB-CE2 4.48Å; W514-F518 HydrophobicContact CB-CG 4.18Å; W514-F518 AromaticContact CD1-CD2 3.76Å; W514-F518 AromaticContact CD1-CE2 3.95Å; W514-F518 HydrophobicContact CD2-CD2 4.06Å; W514-F518 HydrophobicContact CG-CB 4.5Å; W514-F518 AromaticContact CG-CD2 3.59Å; W514-F518 HydrophobicContact CG-CD2 3.59Å; W514-F518 HydrophobicContact CG-CE2 4.23Å; W514-F518 HydrophobicContact CG-CG 4.44Å; P515-F518 HydrophobicContact CG-CD1 4.16Å; P515-F518 HydrophobicContact CG-CE1 3.87Å; P515-F518 HydrophobicContact CG-CZ 4.11Å; P515-F518 WeakPolarHBondContact O-CB 3.32Å; P515-F518 PolarHBondContact O-N 2.87Å; P515-F518 VanDerWaalsContact O-N 3.11Å; Y516-F518 VanDerWaalsContact C-N 3.26Å; Y516-F518 PolarHBondContact O-N 2.86Å; F518-Q752 HydrophobicContact CE1-CB 4.12Å; F518-V753 HydrophobicContact CD1-CG2 3.54Å; F518-V753 HydrophobicContact CD2-CG2 3.83Å; F518-V753 HydrophobicContact CE1-CB 4.35Å; F518-V753 HydrophobicContact CE1-CG2 3.53Å; F518-V753 HydrophobicContact CE2-CB 4.32Å; F518-V753 HydrophobicContact CE2-CG1 4.4Å; F518-V753 HydrophobicContact CE2-CG2 3.83Å; F518-V753 HydrophobicContact CG-CG2 3.71Å; F518-V753 HydrophobicContact CZ-CB 4.13Å; F518-V753 HydrophobicContact CZ-CG2 3.68Å; F518-Y756 HydrophobicContact CE2-CD1 4.35Å; F518-Y756 HydrophobicContact CE2-CD2 4.48Å; F518-Y756 HydrophobicContact CE2-CG 4.09Å; F518-Y756 HydrophobicContact CZ-CG 4.22Å; F518-W771 PolarHBondContact O-NE1 3.07Å
519	Y	81.1	Confident	71	Confident	1 Å²	1	29.1 Å²	29.1	0%	0.004	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-113.1	4.1	178.4	-58.1	-85.3	0	0	0	113.6	W514 Y516 N517 T522 L524 I539 W686	W514-Y519 HydrophobicContact CB-CE2 4.13Å; W514-Y519 HydrophobicContact CE3-CE1 4.17Å; W514-Y519 HydrophobicContact CE3-CE2 4.38Å; W514-Y519 AromaticContact CE3-CZ 3.77Å; W514-Y519 HydrophobicContact CZ3-CE1 4.49Å; Y516-Y519 PolarHBondContact O-N 2.84Å; N517-Y519 PolarHBondContact O-N 2.89Å; Y519-T522 WeakPolarHBondContact O-CB 3.3Å; Y519-T522 PolarHBondContact O-N 3.13Å; Y519-T522 PolarHBondContact O-OG1 2.77Å; Y519-L524 HydrophobicContact CD1-CB 3.95Å; Y519-L524 HydrophobicContact CD1-CD1 3.65Å; Y519-L524 HydrophobicContact CD1-CG 4.31Å; Y519-L524 HydrophobicContact CE1-CD1 4.03Å; Y519-L524 HydrophobicContact CG-CB 4.24Å; Y519-I539 HydrophobicContact CD1-CD1 4.2Å; Y519-I539 HydrophobicContact CD2-CD1 3.82Å; Y519-I539 HydrophobicContact CE1-CD1 3.87Å; Y519-I539 HydrophobicContact CE2-CD1 3.48Å; Y519-I539 VanDerWaalsContact CE2-CD1 3.48Å; Y519-I539 HydrophobicContact CE2-CG1 4.06Å; Y519-I539 HydrophobicContact CG-CD1 4.16Å; Y519-I539 VanDerWaalsContact CZ-CD1 3.48Å; Y519-W686 HydrophobicContact CE1-CZ3 4.13Å
520	E	79.8	Confident	71.1	Confident	50 Å²	50	34 Å²	34	23%	0.234	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	136.5	174.2	-172.6	-173.1	158.2	0	0	111.8	N517 T522 E525 V745 S746 T749	N517-E520 VanDerWaalsContact O-CB 3.26Å; N517-E520 WeakPolarHBondContact O-CB 3.31Å; N517-E520 PolarHBondContact O-N 2.98Å; E520-T522 VanDerWaalsContact C-N 3.27Å; E520-T522 PolarHBondContact O-N 2.99Å; E520-E525 WeakPolarHBondContact CA-OE2 3.28Å; E520-V745 HydrophobicContact CB-CG1 4.45Å; E520-S746 VanDerWaalsContact CD-N 3.34Å; E520-S746 WeakPolarHBondContact OE1-CA 3.37Å; E520-S746 WeakPolarHBondContact OE1-CB 3.41Å; E520-S746 PolarHBondContact OE1-N 2.93Å; E520-S746 PolarHBondContact OE1-OG 2.83Å; E520-S746 WeakPolarHBondContact OE2-CB 3.17Å; E520-S746 PolarHBondContact OE2-N 2.85Å; E520-S746 PolarHBondContact OE2-OG 3.49Å; E520-T749 WeakPolarHBondContact OE2-CB 3.36Å; E520-T749 PolarHBondContact OE2-OG1 2.78Å
521	G	74.7	Confident	70.9	Confident	40 Å²	40	32.4 Å²	32.4	41%	0.412	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	-6.3	-178.1	0	0	0	0	0	115.3	E525 A820	G521-E525 PolarHBondContact N-OE2 3.2Å; G521-A820 WeakPolarHBondContact O-CB 3.24Å
522	T	81.9	Confident	70.3	Confident	11 Å²	11	39.9 Å²	39.9	7%	0.067	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-104.6	164.6	-178.7	76.5	0	0	0	0	112.7	Y519 E520 L524 E525 A820 V822	Y519-T522 WeakPolarHBondContact O-CB 3.3Å; Y519-T522 PolarHBondContact O-N 3.13Å; Y519-T522 PolarHBondContact O-OG1 2.77Å; E520-T522 VanDerWaalsContact C-N 3.27Å; E520-T522 PolarHBondContact O-N 2.99Å; T522-L524 PolarHBondContact O-N 3Å; T522-L524 WeakPolarHBondContact OG1-CB 3.42Å; T522-L524 PolarHBondContact OG1-N 3.43Å; T522-E525 WeakPolarHBondContact O-CB 3.45Å; T522-E525 PolarHBondContact O-N 3.46Å; T522-A820 WeakPolarHBondContact CB-O 3.44Å; T522-A820 HydrophobicContact CG2-CB 3.96Å; T522-V822 HydrophobicContact CG2-CG2 3.83Å
523	S	76.3	Confident	69.6	Low	23 Å²	23	42.6 Å²	42.6	16%	0.161	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-7.8	173.4	-55.1	0	0	0	0	114.4	Q819	S523-Q819 PolarHBondContact OG-NE2 3.14Å
524	L	75.3	Confident	68.4	Low	4 Å²	4	43.4 Å²	43.4	2%	0.021	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-19.7	171.7	-74.9	151	0	0	0	113.4	Y519 T522 L526 Y527 I539 V683 L684	Y519-L524 HydrophobicContact CD1-CB 3.95Å; Y519-L524 HydrophobicContact CD1-CD1 3.65Å; Y519-L524 HydrophobicContact CD1-CG 4.31Å; Y519-L524 HydrophobicContact CE1-CD1 4.03Å; Y519-L524 HydrophobicContact CG-CB 4.24Å; T522-L524 PolarHBondContact O-N 3Å; T522-L524 WeakPolarHBondContact OG1-CB 3.42Å; T522-L524 PolarHBondContact OG1-N 3.43Å; L524-L526 PolarHBondContact O-N 3.38Å; L524-L526 VanDerWaalsContact O-N 3.12Å; L524-Y527 HydrophobicContact CD2-CD2 4.15Å; L524-Y527 HydrophobicContact CD2-CE2 4.43Å; L524-Y527 WeakPolarHBondContact O-CB 3.47Å; L524-Y527 PolarHBondContact O-N 2.89Å; L524-I539 HydrophobicContact CD2-CD1 4.37Å; L524-V683 HydrophobicContact CD2-CG1 3.32Å; L524-L684 VanDerWaalsContact CD2-O 3.3Å; L524-L684 WeakPolarHBondContact CD2-O 3.49Å
525	E	74.6	Confident	67.3	Low	81 Å²	81	47.6 Å²	47.6	38%	0.379	28%	0.276	S	S	.	.	H	α-helix	trans	-61.1	-22.8	179.3	-165.8	-177.3	146.6	0	0	112.7	E520 G521 T522 Y527 T528 S529	E520-E525 WeakPolarHBondContact CA-OE2 3.28Å; G521-E525 PolarHBondContact N-OE2 3.2Å; T522-E525 WeakPolarHBondContact O-CB 3.45Å; T522-E525 PolarHBondContact O-N 3.46Å; E525-Y527 PolarHBondContact O-N 2.94Å; E525-T528 WeakPolarHBondContact CA-OG1 3.34Å; E525-T528 PolarHBondContact O-N 3.42Å; E525-T528 PolarHBondContact O-OG1 3.34Å; E525-S529 WeakPolarHBondContact O-CB 3.14Å; E525-S529 PolarHBondContact O-N 3.18Å
526	L	66.6	Low	66.1	Low	53 Å²	53	53.7 Å²	53.7	28%	0.277	31%	0.307	S	S	.	.	H	α-helix	trans	-56.6	-36.1	172.2	-67.1	172.7	0	0	0	112.6	L524 T528 S529 L554 F555	L524-L526 PolarHBondContact O-N 3.38Å; L524-L526 VanDerWaalsContact O-N 3.12Å; L526-T528 VanDerWaalsContact C-N 3.3Å; L526-T528 PolarHBondContact O-N 2.83Å; L526-S529 PolarHBondContact O-OG 3.32Å; L526-L554 HydrophobicContact CD1-CD1 3.96Å; L526-L554 HydrophobicContact CD2-CD1 4.08Å; L526-F555 HydrophobicContact CD1-CE2 3.45Å; L526-F555 VanDerWaalsContact CD1-CE2 3.45Å; L526-F555 HydrophobicContact CD1-CZ 3.43Å; L526-F555 VanDerWaalsContact CD1-CZ 3.43Å
527	Y	62.9	Low	65.1	Low	8 Å²	8	56.3 Å²	56.3	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-67.6	-31.3	175.8	-72.5	-75.8	0	0	0	112.7	L524 E525 L542 N546 I549 M551 L684	L524-Y527 HydrophobicContact CD2-CD2 4.15Å; L524-Y527 HydrophobicContact CD2-CE2 4.43Å; L524-Y527 WeakPolarHBondContact O-CB 3.47Å; L524-Y527 PolarHBondContact O-N 2.89Å; E525-Y527 PolarHBondContact O-N 2.94Å; Y527-L542 WeakPolarHBondContact O-CD1 3.43Å; Y527-N546 VanDerWaalsContact CE1-OD1 3.27Å; Y527-N546 WeakPolarHBondContact CE1-OD1 3.46Å; Y527-N546 PolarHBondContact OH-OD1 3.02Å; Y527-I549 HydrophobicContact CD1-CD1 3.62Å; Y527-I549 HydrophobicContact CE1-CD1 4.06Å; Y527-I549 HydrophobicContact CG-CD1 4.38Å; Y527-M551 HydrophobicContact CE2-CE 4.46Å; Y527-L684 HydrophobicContact CE2-CB 4.16Å; Y527-L684 HydrophobicContact CE2-CD1 4.08Å; Y527-L684 HydrophobicContact CE2-CG 4.01Å
528	T	58.9	Low	64.3	Low	16 Å²	16	55.5 Å²	55.5	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-95	-24.8	-172.5	64.9	0	0	0	0	112.8	Y516 E525 L526 K530 C531	Y516-T528 HydrophobicContact CD1-CG2 3.67Å; Y516-T528 HydrophobicContact CG-CG2 3.79Å; E525-T528 WeakPolarHBondContact CA-OG1 3.34Å; E525-T528 PolarHBondContact O-N 3.42Å; E525-T528 PolarHBondContact O-OG1 3.34Å; L526-T528 VanDerWaalsContact C-N 3.3Å; L526-T528 PolarHBondContact O-N 2.83Å; T528-K530 PolarHBondContact O-N 3.17Å; T528-K530 VanDerWaalsContact O-N 3.16Å; T528-C531 PolarHBondContact O-N 3.44Å
529	S	61.5	Low	63.1	Low	58 Å²	58	55.5 Å²	55.5	41%	0.406	32%	0.318	S	S	.	.	H	α-helix	trans	-53.9	-33	179.6	67.1	0	0	0	0	114.7	E525 L526	E525-S529 WeakPolarHBondContact O-CB 3.14Å; E525-S529 PolarHBondContact O-N 3.18Å; L526-S529 PolarHBondContact O-OG 3.32Å
530	K	56.4	Low	61.9	Low	113 Å²	113	59 Å²	59	49%	0.491	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-19.2	174.2	-83.8	-172.5	162.5	-167.4	0	114.2	T528 L545 E548 I549	T528-K530 PolarHBondContact O-N 3.17Å; T528-K530 VanDerWaalsContact O-N 3.16Å; K530-L545 HydrophobicContact CD-CD2 4.41Å; K530-E548 PolarHBondContact NZ-O 2.79Å; K530-E548 IonicContact NZ-OE2 2.96Å; K530-E548 PolarHBondContact NZ-OE2 3.12Å; K530-E548 VanDerWaalsContact NZ-OE2 3.14Å; K530-I549 HydrophobicContact CD-CG1 4.39Å
531	C	53.3	Low	60.7	Low	29 Å²	29	62 Å²	62	20%	0.196	35%	0.349	C	S	.	.			trans	-108.5	30.1	-165.8	-57.4	0	0	0	0	113.1	Y516 T528 G533 D534	Y516-C531 HydrophobicContact CD2-CB 4.2Å; Y516-C531 HydrophobicContact CE2-CB 3.88Å; T528-C531 PolarHBondContact O-N 3.44Å; C531-G533 PolarHBondContact O-N 3.11Å; C531-D534 PolarHBondContact O-N 2.93Å
532	Q	50.8	Low	59.5	Low	173 Å²	173	60.6 Å²	60.6	81%	0.808	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-1.5	-173.2	-75.8	-176.2	-25.2	0	0	116.1
533	G	49	Very low	58.1	Low	65 Å²	65	63.6 Å²	63.6	67%	0.67	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-44.2	169.7	0	0	0	0	0	114	C531	C531-G533 PolarHBondContact O-N 3.11Å
534	D	49.5	Very low	56.8	Low	109 Å²	109	67.9 Å²	67.9	58%	0.583	37%	0.368	S	S	*	.			trans	-108.6	79.3	-164.6	-73.4	-55.1	0	0	0	112.6	Y516 C531 N536 E537	Y516-D534 WeakPolarHBondContact CD2-O 3.32Å; Y516-D534 WeakPolarHBondContact CE2-O 3.35Å; C531-D534 PolarHBondContact O-N 2.93Å; D534-N536 VanDerWaalsContact C-N 3.26Å; D534-N536 PolarHBondContact O-N 3.21Å; D534-E537 HydrophobicContact CB-CG 4.16Å; D534-E537 PolarHBondContact O-N 3.12Å
535	T	50.5	Low	55.3	Low	91 Å²	91	70.1 Å²	70.1	56%	0.558	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-21.7	-172.9	54.6	0	0	0	0	115.4	P515	P515-T535 WeakPolarHBondContact CB-O 3.48Å
536	N	50.7	Low	54.2	Low	148 Å²	148	67.5 Å²	67.5	79%	0.791	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-2.6	-174.8	-76	-47.7	0	0	0	114.6	D534	D534-N536 VanDerWaalsContact C-N 3.26Å; D534-N536 PolarHBondContact O-N 3.21Å
537	E	53.7	Low	53.4	Low	69 Å²	69	71.5 Å²	71.5	32%	0.322	39%	0.389	S	S	.	.			trans	-83.8	162.5	180	-61.3	-146.3	148.7	0	0	113	Y516 D534 K541	Y516-E537 WeakPolarHBondContact CE1-O 3.33Å; Y516-E537 HydrophobicContact CE2-CB 3.68Å; Y516-E537 WeakPolarHBondContact OH-CB 3.43Å; D534-E537 HydrophobicContact CB-CG 4.16Å; D534-E537 PolarHBondContact O-N 3.12Å; E537-K541 IonicContact OE1-NZ 3.4Å; E537-K541 PolarHBondContact OE1-NZ 2.88Å; E537-K541 WeakPolarHBondContact OE2-CD 3.3Å; E537-K541 IonicContact OE2-NZ 3.06Å; E537-K541 PolarHBondContact OE2-NZ 2.89Å
538	S	58.9	Low	52.8	Low	20 Å²	20	76.6 Å²	76.6	14%	0.14	41%	0.413	C	S	.	.	B	Isolated β-bridge	trans	-117.4	153.9	-170.2	65.7	0	0	0	0	112.6	Y516 D540 K541	Y516-S538 PolarHBondContact OH-O 2.99Å; S538-D540 PolarHBondContact O-N 3.19Å; S538-K541 PolarHBondContact O-N 3.03Å
539	I	58.9	Low	52.9	Low	4 Å²	4	76.8 Å²	76.8	2%	0.021	41%	0.414	C	S	.	.	H	α-helix	trans	-56.7	-24.2	179.7	-65.1	-172.5	0	0	0	112.8	Y516 Y519 L524 K541 L542 Y543 V683	Y516-I539 HydrophobicContact CD1-CG1 4.3Å; Y516-I539 HydrophobicContact CE1-CG1 4.36Å; Y519-I539 HydrophobicContact CD1-CD1 4.2Å; Y519-I539 HydrophobicContact CD2-CD1 3.82Å; Y519-I539 HydrophobicContact CE1-CD1 3.87Å; Y519-I539 HydrophobicContact CE2-CD1 3.48Å; Y519-I539 VanDerWaalsContact CE2-CD1 3.48Å; Y519-I539 HydrophobicContact CE2-CG1 4.06Å; Y519-I539 HydrophobicContact CG-CD1 4.16Å; Y519-I539 VanDerWaalsContact CZ-CD1 3.48Å; L524-I539 HydrophobicContact CD2-CD1 4.37Å; I539-K541 PolarHBondContact O-N 2.99Å; I539-L542 WeakPolarHBondContact O-CA 3.48Å; I539-L542 WeakPolarHBondContact O-CB 3.36Å; I539-L542 PolarHBondContact O-N 3.38Å; I539-Y543 PolarHBondContact O-N 2.9Å; I539-V683 HydrophobicContact CG2-CG1 4.39Å; I539-V683 HydrophobicContact CG2-CG2 3.72Å
540	D	55.9	Low	52.9	Low	75 Å²	75	81.2 Å²	81.2	40%	0.401	43%	0.428	S	S	.	.	H	α-helix	trans	-57	-29	173.3	-78.9	-34.8	0	0	0	113.2	S538	S538-D540 PolarHBondContact O-N 3.19Å
541	K	54.3	Low	53.4	Low	113 Å²	113	76.2 Å²	76.2	49%	0.491	41%	0.407	S	S	.	.	H	α-helix	trans	-78.5	-29.8	171.7	-77.1	-174.1	163.9	-163.4	0	113.1	E537 S538 I539 Y543 T544	E537-K541 IonicContact OE1-NZ 3.4Å; E537-K541 PolarHBondContact OE1-NZ 2.88Å; E537-K541 WeakPolarHBondContact OE2-CD 3.3Å; E537-K541 IonicContact OE2-NZ 3.06Å; E537-K541 PolarHBondContact OE2-NZ 2.89Å; S538-K541 PolarHBondContact O-N 3.03Å; I539-K541 PolarHBondContact O-N 2.99Å; K541-Y543 PolarHBondContact O-N 3.15Å; K541-T544 WeakPolarHBondContact O-CB 3.4Å; K541-T544 PolarHBondContact O-N 2.88Å; K541-T544 PolarHBondContact O-OG1 2.77Å
542	L	50.1	Low	53.9	Low	9 Å²	9	79.6 Å²	79.6	5%	0.047	42%	0.419	C	S	.	.	H	α-helix	trans	-73.3	-10.6	179.8	-65.2	179.8	0	0	0	114.1	Y516 Y527 I539 T544 L545 N546	Y516-L542 HydrophobicContact CD1-CD1 4.06Å; Y516-L542 HydrophobicContact CE1-CD1 3.37Å; Y516-L542 HydrophobicContact CE1-CG 3.86Å; Y527-L542 WeakPolarHBondContact O-CD1 3.43Å; I539-L542 WeakPolarHBondContact O-CA 3.48Å; I539-L542 WeakPolarHBondContact O-CB 3.36Å; I539-L542 PolarHBondContact O-N 3.38Å; L542-T544 PolarHBondContact O-N 2.95Å; L542-L545 HydrophobicContact CD2-CB 3.86Å; L542-L545 HydrophobicContact CD2-CD1 4.4Å; L542-L545 HydrophobicContact CD2-CD2 4.18Å; L542-L545 HydrophobicContact CD2-CG 4.37Å; L542-L545 CarbonylContact O-C 3.57Å; L542-L545 WeakPolarHBondContact O-CA 3.42Å; L542-L545 PolarHBondContact O-N 3.47Å; L542-N546 PolarHBondContact O-N 2.88Å
543	Y	51.7	Low	54.6	Low	75 Å²	75	73.9 Å²	73.9	29%	0.294	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.6	164.9	-76.4	-64.7	0	0	0	112.7	I539 K541 K681 V683	I539-Y543 PolarHBondContact O-N 2.9Å; K541-Y543 PolarHBondContact O-N 3.15Å; Y543-K681 VanDerWaalsContact CE1-O 3.28Å; Y543-K681 WeakPolarHBondContact CE1-O 3.38Å; Y543-V683 HydrophobicContact CD1-CG2 4.35Å; Y543-V683 HydrophobicContact CE1-CG2 3.53Å; Y543-V683 HydrophobicContact CE2-CG2 4.47Å
544	T	49.6	Very low	55.5	Low	113 Å²	113	72 Å²	72	69%	0.693	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-32.2	173.1	-17.6	0	0	0	0	112.1	K541 L542	K541-T544 WeakPolarHBondContact O-CB 3.4Å; K541-T544 PolarHBondContact O-N 2.88Å; K541-T544 PolarHBondContact O-OG1 2.77Å; L542-T544 PolarHBondContact O-N 2.95Å
545	L	44.6	Very low	56.8	Low	50 Å²	50	67.6 Å²	67.6	26%	0.262	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-87.6	-7.8	-176.9	-130.7	107.8	0	0	0	113.9	K530 L542 N547 E548	K530-L545 HydrophobicContact CD-CD2 4.41Å; L542-L545 HydrophobicContact CD2-CB 3.86Å; L542-L545 HydrophobicContact CD2-CD1 4.4Å; L542-L545 HydrophobicContact CD2-CD2 4.18Å; L542-L545 HydrophobicContact CD2-CG 4.37Å; L542-L545 CarbonylContact O-C 3.57Å; L542-L545 WeakPolarHBondContact O-CA 3.42Å; L542-L545 PolarHBondContact O-N 3.47Å; L545-N547 PolarHBondContact O-N 2.91Å; L545-E548 HydrophobicContact CG-CG 4.36Å; L545-E548 PolarHBondContact O-N 3.14Å
546	N	50.2	Low	58.1	Low	27 Å²	27	69 Å²	69	14%	0.144	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-61.8	-14.2	179.6	-154.2	30.1	0	0	0	113	Y527 L542 S680	Y527-N546 VanDerWaalsContact CE1-OD1 3.27Å; Y527-N546 WeakPolarHBondContact CE1-OD1 3.46Å; Y527-N546 PolarHBondContact OH-OD1 3.02Å; L542-N546 PolarHBondContact O-N 2.88Å; N546-S680 PolarHBondContact ND2-O 3.08Å
547	N	49.1	Very low	59.6	Low	136 Å²	136	65.4 Å²	65.4	73%	0.727	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-75.2	-20.7	170.9	-67.4	-32.1	0	0	0	113.6	L545	L545-N547 PolarHBondContact O-N 2.91Å
548	E	51.5	Low	61.1	Low	115 Å²	115	62.1 Å²	62.1	54%	0.537	31%	0.312	S	S	.	.	S	Bend	trans	-97.3	-10.1	-175.9	-59.8	-165	173.4	0	0	115.1	K530 L545	K530-E548 PolarHBondContact NZ-O 2.79Å; K530-E548 IonicContact NZ-OE2 2.96Å; K530-E548 PolarHBondContact NZ-OE2 3.12Å; K530-E548 VanDerWaalsContact NZ-OE2 3.14Å; L545-E548 HydrophobicContact CG-CG 4.36Å; L545-E548 PolarHBondContact O-N 3.14Å
549	I	60.1	Low	62.5	Low	21 Å²	21	61.3 Å²	61.3	11%	0.108	31%	0.306	C	S	.	.	S	Bend	trans	-101.7	102.8	-179	-48.7	-179	0	0	0	107.1	Y527 K530 M551	Y527-I549 HydrophobicContact CD1-CD1 3.62Å; Y527-I549 HydrophobicContact CE1-CD1 4.06Å; Y527-I549 HydrophobicContact CG-CD1 4.38Å; K530-I549 HydrophobicContact CD-CG1 4.39Å; I549-M551 HydrophobicContact CB-SD 3.92Å; I549-M551 HydrophobicContact CG2-SD 3.4Å; I549-M551 WeakPolarHBondContact CG2-SD 3.28Å; I549-M551 WeakPolarHBondContact O-CG 3.5Å; I549-M551 PolarHBondContact O-N 2.86Å
550	Q	62.9	Low	64	Low	150 Å²	150	61.1 Å²	61.1	70%	0.701	31%	0.305	S	S	*	.			trans	-72.1	78.1	179.6	-70.1	-168.7	-6	0	0	110.9	E552 S553	Q550-E552 PolarHBondContact O-N 3.07Å; Q550-S553 WeakPolarHBondContact O-CB 3.42Å; Q550-S553 PolarHBondContact O-N 2.89Å; Q550-S553 PolarHBondContact O-OG 2.83Å
551	M	66.4	Low	65.6	Low	9 Å²	9	57.7 Å²	57.7	4%	0.044	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-54.7	-28.5	-178.8	-52.9	-52.1	-75.7	0	0	113	Y527 I549 S553 L554 F555 P651 L684	Y527-M551 HydrophobicContact CE2-CE 4.46Å; I549-M551 HydrophobicContact CB-SD 3.92Å; I549-M551 HydrophobicContact CG2-SD 3.4Å; I549-M551 WeakPolarHBondContact CG2-SD 3.28Å; I549-M551 WeakPolarHBondContact O-CG 3.5Å; I549-M551 PolarHBondContact O-N 2.86Å; M551-S553 PolarHBondContact O-N 2.83Å; M551-L554 PolarHBondContact O-N 2.98Å; M551-F555 HydrophobicContact CE-CD2 4.16Å; M551-F555 HydrophobicContact CE-CE2 3.96Å; M551-F555 PolarHBondContact O-N 2.97Å; M551-F555 VanDerWaalsContact O-N 3.07Å; M551-P651 HydrophobicContact CB-CB 4.16Å; M551-L684 HydrophobicContact CE-CD1 3.23Å; M551-L684 HydrophobicContact CE-CG 4.12Å
552	E	64	Low	67.4	Low	99 Å²	99	52.3 Å²	52.3	46%	0.463	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-60	-27	175.4	-50.5	-164.6	149.6	0	0	113.3	Q550 P651 M653 I715	Q550-E552 PolarHBondContact O-N 3.07Å; E552-P651 WeakPolarHBondContact CG-O 3.47Å; E552-M653 WeakPolarHBondContact OE1-CA 3.41Å; E552-M653 WeakPolarHBondContact OE1-CG 3.4Å; E552-M653 PolarHBondContact OE1-N 3.24Å; E552-M653 VanDerWaalsContact OE1-N 3.12Å; E552-I715 WeakPolarHBondContact O-CD1 3.47Å
553	S	66	Low	69.3	Low	54 Å²	54	52.3 Å²	52.3	38%	0.378	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-82.5	-15.3	179.7	70.8	0	0	0	0	114	Q550 M551	Q550-S553 WeakPolarHBondContact O-CB 3.42Å; Q550-S553 PolarHBondContact O-N 2.89Å; Q550-S553 PolarHBondContact O-OG 2.83Å; M551-S553 PolarHBondContact O-N 2.83Å
554	L	67.2	Low	71.2	Confident	25 Å²	25	48.8 Å²	48.8	13%	0.131	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-38.2	-176.1	-61.1	176.8	0	0	0	112.4	L526 M551 P714 I715	L526-L554 HydrophobicContact CD1-CD1 3.96Å; L526-L554 HydrophobicContact CD2-CD1 4.08Å; M551-L554 PolarHBondContact O-N 2.98Å; L554-P714 WeakPolarHBondContact O-CA 3.49Å; L554-I715 PolarHBondContact O-N 2.83Å
555	F	75.5	Confident	73	Confident	17 Å²	17	44 Å²	44	8%	0.075	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.3	-169	-61.9	-64.9	0	0	0	113	L526 M551 P651 L684 L712 S713	L526-F555 HydrophobicContact CD1-CE2 3.45Å; L526-F555 VanDerWaalsContact CD1-CE2 3.45Å; L526-F555 HydrophobicContact CD1-CZ 3.43Å; L526-F555 VanDerWaalsContact CD1-CZ 3.43Å; M551-F555 HydrophobicContact CE-CD2 4.16Å; M551-F555 HydrophobicContact CE-CE2 3.96Å; M551-F555 PolarHBondContact O-N 2.97Å; M551-F555 VanDerWaalsContact O-N 3.07Å; F555-P651 HydrophobicContact CB-CG 3.57Å; F555-L684 HydrophobicContact CE2-CD1 4.04Å; F555-L712 HydrophobicContact CB-CD2 4.28Å; F555-L712 HydrophobicContact CD1-CB 3.75Å; F555-L712 HydrophobicContact CD1-CD2 4.29Å; F555-L712 HydrophobicContact CD2-CD2 4.05Å; F555-L712 HydrophobicContact CE1-CB 3.79Å; F555-L712 HydrophobicContact CE1-CD1 4.44Å; F555-L712 HydrophobicContact CE2-CD1 4.4Å; F555-L712 HydrophobicContact CE2-CD2 4.41Å; F555-L712 HydrophobicContact CG-CB 4.29Å; F555-L712 HydrophobicContact CG-CD2 3.96Å; F555-L712 HydrophobicContact CZ-CB 4.36Å; F555-L712 HydrophobicContact CZ-CD1 4.18Å; F555-S713 CarbonylContact C-O 3.56Å; F555-S713 WeakPolarHBondContact CA-O 3.47Å
556	Q	78.6	Confident	75.1	Confident	121 Å²	121	41.8 Å²	41.8	57%	0.565	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	-34.8	-176.8	-162.6	-179.3	18	0	0	112.7	S713 I715	Q556-S713 PolarHBondContact N-O 2.81Å; Q556-I715 HydrophobicContact CB-CG1 3.87Å
557	Q	81.5	Confident	76.9	Confident	71 Å²	71	40.6 Å²	40.6	33%	0.332	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	144.4	-172.2	-171.1	-175.1	-56	0	0	110.4	S713	Q557-S713 PolarHBondContact O-N 3.04Å
558	S	86.5	Confident	78.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	171	167.3	64.7	0	0	0	0	110.9	V649 M709	S558-V649 PolarHBondContact N-O 2.98Å; S558-V649 PolarHBondContact O-N 2.97Å; S558-V649 VanDerWaalsContact O-O 3.09Å; S558-V649 PolarHBondContact OG-O 3.13Å; S558-V649 VanDerWaalsContact OG-O 3.12Å; S558-M709 PolarHBondContact OG-SD 3.06Å
559	R	87.9	Confident	80.1	Confident	3 Å²	3	35.8 Å²	35.8	1%	0.011	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.8	169	-60.8	-175.3	-174	-157.2	27.5	109.4	E646 F647 T710 F794 R805 T808 E839	R559-E646 WeakPolarHBondContact CD-OE1 3.46Å; R559-E646 IonicContact CZ-OE1 2.68Å; R559-E646 IonicContact NE-OE1 2.84Å; R559-E646 IonicContact NH1-OE1 3.14Å; R559-E646 PolarHBondContact NH1-OE1 3.28Å; R559-F647 WeakPolarHBondContact CA-O 3.22Å; R559-T710 PolarHBondContact N-O 2.91Å; R559-T710 PolarHBondContact O-N 2.8Å; R559-F794 VanDerWaalsContact NH2-CE1 3.28Å; R559-R805 VanDerWaalsContact NH1-NH1 3.14Å; R559-T808 PolarHBondContact NH2-OG1 2.86Å; R559-E839 IonicContact CZ-OE1 3.15Å; R559-E839 IonicContact CZ-OE2 2.69Å; R559-E839 IonicContact NH1-OE1 2.71Å; R559-E839 IonicContact NH2-OE1 3.27Å; R559-E839 PolarHBondContact NH2-OE1 3.33Å; R559-E839 IonicContact NH2-OE2 3.14Å; R559-E839 PolarHBondContact NH2-OE2 3.33Å
560	L	89.6	Confident	81	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118	167.1	-179.6	84.2	0	0	0	108.8	V562 V623 E646 F647 V649 F679 I682 A707 T708 M709	L560-V562 HydrophobicContact CD2-CG2 3.39Å; L560-V562 HydrophobicContact CG-CG2 3.66Å; L560-V623 HydrophobicContact CD2-CG2 4.14Å; L560-E646 WeakPolarHBondContact O-CA 3.45Å; L560-F647 HydrophobicContact CB-CB 4.38Å; L560-F647 HydrophobicContact CD2-CB 4.47Å; L560-F647 HydrophobicContact CD2-CD2 4.06Å; L560-F647 PolarHBondContact N-O 2.9Å; L560-F647 PolarHBondContact O-N 3.46Å; L560-V649 HydrophobicContact CB-CG2 3.78Å; L560-F679 HydrophobicContact CD1-CD1 3.88Å; L560-F679 HydrophobicContact CD1-CE1 3.89Å; L560-F679 HydrophobicContact CD1-CG 4.32Å; L560-F679 HydrophobicContact CD1-CZ 4.36Å; L560-F679 HydrophobicContact CD2-CD1 4.17Å; L560-F679 HydrophobicContact CD2-CD2 4.33Å; L560-F679 HydrophobicContact CD2-CE1 3.43Å; L560-F679 VanDerWaalsContact CD2-CE1 3.43Å; L560-F679 HydrophobicContact CD2-CE2 3.65Å; L560-F679 HydrophobicContact CD2-CZ 3.13Å; L560-F679 HydrophobicContact CG-CE1 4.31Å; L560-F679 HydrophobicContact CG-CZ 4.35Å; L560-I682 HydrophobicContact CD1-CD1 4.25Å; L560-A707 HydrophobicContact CD1-CB 4.47Å; L560-T708 WeakPolarHBondContact CA-O 3.34Å; L560-M709 HydrophobicContact CB-CE 4.27Å; L560-M709 HydrophobicContact CB-SD 4.11Å; L560-M709 HydrophobicContact CD1-CE 3.85Å; L560-M709 HydrophobicContact CD1-SD 4.37Å
561	I	90.8	Very high	81.4	Confident	3 Å²	3	33.7 Å²	33.7	2%	0.015	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.9	167.9	-66.5	165.2	0	0	0	107.7	R644 A707 T708 T710 V803 R805	I561-R644 HydrophobicContact CG2-CG 4.23Å; I561-A707 VanDerWaalsContact O-CA 3.28Å; I561-A707 WeakPolarHBondContact O-CA 3.23Å; I561-T708 PolarHBondContact N-O 3.4Å; I561-T708 PolarHBondContact O-N 2.99Å; I561-T710 HydrophobicContact CD1-CG2 3.5Å; I561-T710 HydrophobicContact CG1-CG2 4.17Å; I561-V803 HydrophobicContact CD1-CG1 4.03Å; I561-R805 HydrophobicContact CD1-CG 4.24Å
562	V	91.4	Very high	81.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	113.1	176.9	-172.7	0	0	0	0	109.6	L560 L621 R644 F645 F647 L657 I705 L706	L560-V562 HydrophobicContact CD2-CG2 3.39Å; L560-V562 HydrophobicContact CG-CG2 3.66Å; V562-L621 HydrophobicContact CG1-CD2 3.78Å; V562-R644 CarbonylContact O-C 3.56Å; V562-R644 WeakPolarHBondContact O-CA 3.48Å; V562-F645 PolarHBondContact N-O 3.04Å; V562-F645 PolarHBondContact O-N 3.36Å; V562-F647 HydrophobicContact CB-CE2 4.31Å; V562-F647 HydrophobicContact CG2-CD2 3.95Å; V562-F647 HydrophobicContact CG2-CE2 3.93Å; V562-L657 HydrophobicContact CG1-CD2 3.98Å; V562-I705 HydrophobicContact CG1-CG2 3.54Å; V562-L706 CarbonylContact C-O 3.46Å; V562-L706 WeakPolarHBondContact CA-O 3.1Å
563	T	91.1	Very high	81	Confident	10 Å²	10	38.2 Å²	38.2	6%	0.061	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111	170.8	-60.9	0	0	0	0	109.3	V565 E643 R644 L706 F906	T563-V565 PolarHBondContact O-N 3.09Å; T563-E643 CarbonylContact C-O 3.6Å; T563-E643 VanDerWaalsContact CA-O 3.3Å; T563-E643 WeakPolarHBondContact CA-O 3.17Å; T563-R644 WeakPolarHBondContact OG1-CG 3.4Å; T563-L706 HydrophobicContact CG2-CD1 4.5Å; T563-L706 PolarHBondContact N-O 3Å; T563-L706 PolarHBondContact O-N 3.12Å; T563-F906 HydrophobicContact CG2-CB 4.12Å; T563-F906 HydrophobicContact CG2-CD2 4.45Å
564	L	90.9	Very high	80	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	107	171.8	174.9	62.2	0	0	0	109	A619 L621 W641 N642 E643 F645 I703 I705	L564-A619 HydrophobicContact CD2-CB 3.47Å; L564-A619 VanDerWaalsContact CD2-CB 3.47Å; L564-L621 HydrophobicContact CD2-CD1 4.19Å; L564-W641 HydrophobicContact CD1-CE3 3.81Å; L564-W641 HydrophobicContact CD1-CZ3 4Å; L564-W641 HydrophobicContact CD2-CB 4.06Å; L564-W641 HydrophobicContact CD2-CD2 3.59Å; L564-W641 HydrophobicContact CD2-CE3 3.48Å; L564-W641 VanDerWaalsContact CD2-CE3 3.48Å; L564-W641 HydrophobicContact CD2-CG 3.86Å; L564-W641 HydrophobicContact CD2-CZ3 4.06Å; L564-W641 HydrophobicContact CG-CB 4.14Å; L564-W641 HydrophobicContact CG-CD2 4.07Å; L564-W641 HydrophobicContact CG-CE3 3.57Å; L564-W641 HydrophobicContact CG-CG 4.33Å; L564-W641 HydrophobicContact CG-CZ3 4.24Å; L564-N642 WeakPolarHBondContact O-CA 3.45Å; L564-N642 PolarHBondContact O-N 2.25Å; L564-N642 VanDerWaalsContact O-N 3.08Å; L564-E643 PolarHBondContact N-O 2.78Å; L564-E643 PolarHBondContact O-N 2.91Å; L564-E643 VanDerWaalsContact O-N 3.08Å; L564-F645 HydrophobicContact CB-CE2 4.02Å; L564-F645 HydrophobicContact CD2-CE2 4.42Å; L564-I703 HydrophobicContact CD1-CD1 3.71Å; L564-I703 HydrophobicContact CD1-CG1 3.81Å; L564-I705 HydrophobicContact CD1-CG1 4.08Å
565	V	87.4	Confident	78.7	Confident	13 Å²	13	48 Å²	48	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-58.4	-179.5	-174.9	0	0	0	0	109.6	T563 L640 W641 N642 H704 L706 L905	T563-V565 PolarHBondContact O-N 3.09Å; V565-L640 WeakPolarHBondContact O-CA 3.2Å; V565-W641 PolarHBondContact O-N 2.75Å; V565-N642 PolarHBondContact O-N 3.05Å; V565-N642 VanDerWaalsContact O-N 3.14Å; V565-N642 PolarHBondContact O-OD1 3.23Å; V565-H704 HydrophobicContact CB-CB 4.24Å; V565-H704 WeakPolarHBondContact CB-O 3.4Å; V565-H704 PolarHBondContact N-O 2.89Å; V565-L706 HydrophobicContact CG2-CD1 3.98Å; V565-L706 HydrophobicContact CG2-CG 4.22Å; V565-L905 HydrophobicContact CG1-CB 4.29Å; V565-L905 HydrophobicContact CG1-CD1 4.43Å; V565-L905 HydrophobicContact CG1-CD2 3.96Å; V565-L905 HydrophobicContact CG1-CG 4.45Å; V565-L905 HydrophobicContact CG2-CB 4.23Å; V565-L905 HydrophobicContact CG2-CD1 4.27Å
566	G	87.7	Confident	76.6	Confident	3 Å²	3	54.6 Å²	54.6	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	177	-174.1	0	0	0	0	0	113.5	P639 I703 H704	G566-P639 CarbonylContact C-O 3.55Å; G566-P639 WeakPolarHBondContact CA-O 3.46Å; G566-I703 WeakPolarHBondContact O-CG1 3.36Å; G566-H704 PolarHBondContact N-O 3.11Å; G566-H704 PolarHBondContact O-N 3.22Å
567	A	88.6	Confident	74.2	Confident	3 Å²	3	58 Å²	58	3%	0.025	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	162.8	168.2	0	0	0	0	0	110.6	L570 N638 P639 W641 E702 I703	A567-L570 HydrophobicContact CB-CD1 3.93Å; A567-L570 HydrophobicContact CB-CD2 4.09Å; A567-L570 HydrophobicContact CB-CG 4.01Å; A567-N638 CarbonylContact O-C 3.39Å; A567-N638 VanDerWaalsContact O-CA 3.24Å; A567-N638 WeakPolarHBondContact O-CA 3.06Å; A567-P639 HydrophobicContact CB-CG 3.91Å; A567-P639 PolarHBondContact N-O 3.04Å; A567-P639 WeakPolarHBondContact O-CD 3.39Å; A567-W641 HydrophobicContact CB-CH2 4.14Å; A567-W641 HydrophobicContact CB-CZ3 3.85Å; A567-E702 CarbonylContact C-O 3.6Å; A567-E702 WeakPolarHBondContact CA-O 3.49Å; A567-E702 WeakPolarHBondContact CB-O 3.42Å; A567-I703 HydrophobicContact CB-CB 4.37Å; A567-I703 HydrophobicContact CB-CG1 4.13Å
568	K	85	Confident	71.6	Confident	51 Å²	51	61.7 Å²	61.7	22%	0.222	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.6	175.6	-67.5	153.1	163.2	178.9	0	111.3	L570 N638 G701 E702 Q1138	K568-L570 PolarHBondContact O-N 3.18Å; K568-N638 WeakPolarHBondContact CA-OD1 3.4Å; K568-G701 WeakPolarHBondContact O-CA 3.46Å; K568-E702 HydrophobicContact CB-CG 3.76Å; K568-E702 HydrophobicContact CD-CG 4.03Å; K568-E702 WeakPolarHBondContact CD-OE1 3.25Å; K568-E702 HydrophobicContact CG-CG 4.5Å; K568-E702 PolarHBondContact N-O 3.31Å; K568-E702 IonicContact NZ-OE1 3.57Å; K568-E702 PolarHBondContact NZ-OE1 3.33Å; K568-E702 PolarHBondContact O-N 2.94Å; K568-E702 VanDerWaalsContact O-N 3.13Å; K568-Q1138 VanDerWaalsContact CE-OE1 3.31Å
569	N	82.6	Confident	68.9	Low	98 Å²	98	67.9 Å²	67.9	52%	0.524	34%	0.338	S	S	.	.			trans	57.6	25.4	174.7	-66.7	-22.2	0	0	0	115.3	K571 R637 N638	N569-K571 PolarHBondContact O-N 2.98Å; N569-K571 VanDerWaalsContact O-N 3.17Å; N569-R637 PolarHBondContact N-O 2.81Å; N569-N638 PolarHBondContact N-OD1 2.93Å
570	L	79.3	Confident	66.2	Low	1 Å²	1	72.7 Å²	72.7	1%	0.005	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-60.8	118.1	175.7	-61.6	-178.5	0	0	0	110.3	A567 K568 P617 R637 P639 V661 L672 F675	A567-L570 HydrophobicContact CB-CD1 3.93Å; A567-L570 HydrophobicContact CB-CD2 4.09Å; A567-L570 HydrophobicContact CB-CG 4.01Å; K568-L570 PolarHBondContact O-N 3.18Å; L570-P617 HydrophobicContact CD1-CB 3.92Å; L570-P617 HydrophobicContact CD1-CG 4.45Å; L570-R637 PolarHBondContact N-O 2.72Å; L570-R637 VanDerWaalsContact O-CB 3.3Å; L570-R637 WeakPolarHBondContact O-CB 3.45Å; L570-R637 VanDerWaalsContact O-CG 3.24Å; L570-R637 WeakPolarHBondContact O-CG 3.38Å; L570-P639 HydrophobicContact CD1-CG 3.81Å; L570-V661 HydrophobicContact CD1-CG1 3.99Å; L570-L672 HydrophobicContact CD1-CD1 4.21Å; L570-F675 HydrophobicContact CD2-CZ 4.31Å
571	K	71.5	Confident	63.3	Low	127 Å²	127	78.6 Å²	78.6	55%	0.552	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-102	133.8	176	-71.7	-176.8	177.6	179.8	0	110.5	N569	N569-K571 PolarHBondContact O-N 2.98Å; N569-K571 VanDerWaalsContact O-N 3.17Å
572	V	64.7	Low	60.4	Low	48 Å²	48	84.5 Å²	84.5	29%	0.291	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-67.8	134.3	169.7	-178.7	0	0	0	0	108.9	T574 P615 L672	V572-T574 VanDerWaalsContact C-N 3.34Å; V572-T574 PolarHBondContact O-N 3.19Å; V572-P615 HydrophobicContact CG2-CB 3.77Å; V572-P615 HydrophobicContact CG2-CG 3.83Å; V572-L672 HydrophobicContact CB-CD2 4.49Å; V572-L672 HydrophobicContact CG2-CD2 4.1Å
573	R	56.9	Low	57.6	Low	154 Å²	154	89.5 Å²	89.5	58%	0.581	48%	0.476	S	S	*	.			trans	-75.4	82.4	-179.7	-163.3	177.8	-163	153.8	5.4	110.5	K575	R573-K575 PolarHBondContact O-N 3.12Å
574	T	45.8	Very low	54.4	Low	126 Å²	126	98 Å²	98	77%	0.773	52%	0.516	S	S	*	.			trans	-56	111.9	168.8	34.2	0	0	0	0	109.1	V572 L576	V572-T574 VanDerWaalsContact C-N 3.34Å; V572-T574 PolarHBondContact O-N 3.19Å; T574-L576 PolarHBondContact O-N 3.09Å
575	K	40	Very low	51.6	Low	158 Å²	158	102.2 Å²	102.2	69%	0.687	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-60.3	122.4	168.3	-69	-176.9	178.5	-179.5	0	106.8	R573 K577	R573-K575 PolarHBondContact O-N 3.12Å; K575-K577 PolarHBondContact O-N 3.08Å; K575-K577 VanDerWaalsContact O-N 3.1Å
576	L	30	Very low	48.9	Very low	157 Å²	157	108.7 Å²	108.7	82%	0.822	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-51.5	121.9	166.5	-83.6	120.4	0	0	0	107.3	T574 N578	T574-L576 PolarHBondContact O-N 3.09Å; L576-N578 PolarHBondContact O-N 2.82Å
577	K	28.6	Very low	46.2	Very low	192 Å²	192	113.7 Å²	113.7	84%	0.835	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-58.3	130.5	161.4	-75.2	-179.2	176.3	177.3	0	105.9	K575 V579	K575-K577 PolarHBondContact O-N 3.08Å; K575-K577 VanDerWaalsContact O-N 3.1Å; K577-V579 PolarHBondContact O-N 3.45Å
578	N	28.5	Very low	43.2	Very low	149 Å²	149	118.9 Å²	118.9	80%	0.797	66%	0.655	S	S	*	*			trans	-54.5	110.3	177.9	-67.9	-4.1	0	0	0	108.7	L576 V580	L576-N578 PolarHBondContact O-N 2.82Å; N578-V580 VanDerWaalsContact C-N 3.32Å; N578-V580 PolarHBondContact O-N 2.92Å
579	V	28.8	Very low	40.8	Very low	130 Å²	130	126.5 Å²	126.5	79%	0.788	69%	0.688	S	S	*	*			trans	-69.5	100.5	163	177.6	0	0	0	0	105	K577 P581	K577-V579 PolarHBondContact O-N 3.45Å; V579-P581 WeakPolarHBondContact O-CD 3.24Å
580	V	31.7	Very low	38.3	Very low	104 Å²	104	128 Å²	128	63%	0.63	70%	0.702	S	S	*	*			trans	-65.1	122.9	168.5	175.9	0	0	0	0	106.6	N578 V582	N578-V580 VanDerWaalsContact C-N 3.32Å; N578-V580 PolarHBondContact O-N 2.92Å; V580-V582 VanDerWaalsContact C-N 3.32Å; V580-V582 HydrophobicContact CG1-CG2 4.14Å; V580-V582 PolarHBondContact O-N 2.88Å
581	P	27.8	Very low	36	Very low	124 Å²	124	136.5 Å²	136.5	81%	0.805	75%	0.746	S	S	*	*			trans	-69.8	96.3	168.2	29.4	-31.5	0	0	0	107.3	V579	V579-P581 WeakPolarHBondContact O-CD 3.24Å
582	V	30.5	Very low	33.9	Very low	126 Å²	126	142.2 Å²	142.2	76%	0.764	76%	0.764	S	S	*	*			trans	-77.6	122.2	169.9	-179.9	0	0	0	0	106.8	V580	V580-V582 VanDerWaalsContact C-N 3.32Å; V580-V582 HydrophobicContact CG1-CG2 4.14Å; V580-V582 PolarHBondContact O-N 2.88Å
583	S	31.6	Very low	32.3	Very low	105 Å²	105	143.6 Å²	143.6	73%	0.734	79%	0.788	S	S	*	*			trans	-65.5	155.4	178.9	51.5	0	0	0	0	112.1
584	E	25.3	Very low	31.1	Very low	189 Å²	189	147.9 Å²	147.9	88%	0.883	80%	0.804	S	S	*	*			trans	-70.8	178	173.9	-60.3	176.9	124.7	0	0	112.3
585	A	31	Very low	30.3	Very low	89 Å²	89	146.7 Å²	146.7	74%	0.736	80%	0.801	S	S	*	*			trans	75.9	136.3	-166.5	0	0	0	0	0	114.4
586	D	30.8	Very low	29.9	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	81%	0.808	S	S	*	*			cis	-154.4	154.6	4.1	-141.2	-25.3	0	0	0	115.2
587	S	31	Very low	29.9	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	81%	0.811	S	S	*	*			trans	63	135.3	158.1	77.4	0	0	0	0	121.5
588	S	25.6	Very low	30	Very low	111 Å²	111	145 Å²	145	78%	0.776	81%	0.806	S	S	*	*			trans	-74.5	151.9	177.5	56.8	0	0	0	0	115.7
589	K	34.2	Very low	30.1	Very low	211 Å²	211	145.6 Å²	145.6	92%	0.917	80%	0.803	S	S	*	*			trans	-158.9	127.7	141	-112.4	157.8	-170	169.7	0	113.1
590	T	29.8	Very low	30.1	Very low	131 Å²	131	143.7 Å²	143.7	80%	0.804	80%	0.796	S	S	*	*			trans	-103.7	137.3	178.2	51.5	0	0	0	0	112.1
591	L	32.7	Very low	29.9	Very low	178 Å²	178	145.8 Å²	145.8	93%	0.932	80%	0.804	S	S	*	*			trans	-157.7	155.5	153.2	-121.2	140	0	0	0	112.9
592	R	27.2	Very low	30.1	Very low	247 Å²	247	146.9 Å²	146.9	93%	0.932	80%	0.798	S	S	*	*			trans	-88	150.5	-173.1	-59.3	174.2	175.7	-177.5	-2.6	111.9
593	G	30.5	Very low	30.1	Very low	77 Å²	77	147.7 Å²	147.7	79%	0.794	80%	0.803	S	S	*	*			trans	-161.7	61.1	-176.7	0	0	0	0	0	118.7
594	R	31.8	Very low	30.3	Very low	244 Å²	244	149.5 Å²	149.5	92%	0.921	80%	0.803	S	S	*	*			trans	48.7	121.1	149.8	-160.6	173.2	-167.9	149.8	2	121
595	S	28.3	Very low	30.7	Very low	102 Å²	102	146 Å²	146	71%	0.713	79%	0.791	S	S	*	*			trans	-44.8	139.3	167.2	166.1	0	0	0	0	116.7
596	T	33.3	Very low	30.7	Very low	137 Å²	137	144.7 Å²	144.7	84%	0.84	79%	0.786	S	S	*	*			trans	-124.7	147	139.4	52.7	0	0	0	0	109.9
597	R	28.3	Very low	30.9	Very low	230 Å²	230	143.9 Å²	143.9	87%	0.868	78%	0.781	S	S	*	*			trans	-111.2	95	-172.3	-179.7	-177.1	-179.8	177.8	0.7	109.9
598	S	32.2	Very low	31.3	Very low	105 Å²	105	142.8 Å²	142.8	73%	0.734	77%	0.767	S	S	*	*			trans	-101.6	127.7	176.1	54.1	0	0	0	0	111.8
599	H	30.5	Very low	32.1	Very low	161 Å²	161	144.2 Å²	144.2	75%	0.745	76%	0.761	S	S	*	*			trans	-68.6	142.5	164.5	-85.9	-114.9	0	0	0	110.9
600	S	28.6	Very low	32.6	Very low	90 Å²	90	140.3 Å²	140.3	63%	0.629	75%	0.746	S	S	*	*			trans	-156.5	122	155.2	49.1	0	0	0	0	111.3	H602	S600-H602 PolarHBondContact O-N 2.59Å; S600-H602 VanDerWaalsContact O-N 3.17Å
601	D	26.8	Very low	33.4	Very low	148 Å²	148	139.8 Å²	139.8	79%	0.791	73%	0.733	S	S	*	*			trans	-80.8	92.8	-176.3	-60.8	-78.6	0	0	0	111.8
602	H	32.6	Very low	34.3	Very low	147 Å²	147	137.2 Å²	137.2	68%	0.681	72%	0.72	S	S	*	*			trans	-129.6	55.9	-177	-77.1	-10	0	0	0	114	S600	S600-H602 PolarHBondContact O-N 2.59Å; S600-H602 VanDerWaalsContact O-N 3.17Å
603	T	29.8	Very low	36.1	Very low	143 Å²	143	130.6 Å²	130.6	88%	0.877	70%	0.703	S	S	*	*	S	Bend	trans	-120.4	30.4	172.7	52.1	0	0	0	0	113.9
604	L	36.3	Very low	38.1	Very low	142 Å²	142	129.3 Å²	129.3	74%	0.743	68%	0.678	S	S	*	*	S	Bend	trans	-131.9	-14.6	179.1	-125.8	149.3	0	0	0	115.4
605	N	32.5	Very low	40.2	Very low	116 Å²	116	117.7 Å²	117.7	62%	0.62	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-81.2	-16.9	-178.9	-68.2	1.7	0	0	0	114.4	L607 D608	N605-L607 PolarHBondContact O-N 2.85Å; N605-L607 VanDerWaalsContact O-N 3.12Å; N605-D608 PolarHBondContact O-N 2.84Å
606	G	31.7	Very low	43	Very low	62 Å²	62	112.9 Å²	112.9	64%	0.639	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-67.7	-11.1	-172.7	0	0	0	0	0	116.2
607	L	34.9	Very low	45.5	Very low	131 Å²	131	106.4 Å²	106.4	69%	0.686	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-93.2	-13.5	-178.4	-70	174.2	0	0	0	114.5	N605	N605-L607 PolarHBondContact O-N 2.85Å; N605-L607 VanDerWaalsContact O-N 3.12Å
608	D	39.5	Very low	48.5	Very low	85 Å²	85	95.6 Å²	95.6	46%	0.455	52%	0.52	S	S	.	.	H	α-helix	trans	-100.9	-25.2	179.9	-72.2	-36.3	0	0	0	112.9	N605 E610 K611 N612	N605-D608 PolarHBondContact O-N 2.84Å; D608-E610 VanDerWaalsContact C-N 3.27Å; D608-E610 PolarHBondContact O-N 3.39Å; D608-K611 PolarHBondContact O-N 3.41Å; D608-K611 IonicContact OD1-NZ 3.4Å; D608-K611 PolarHBondContact OD1-NZ 3.12Å; D608-N612 PolarHBondContact O-N 3.19Å; D608-N612 PolarHBondContact O-ND2 3.46Å
609	E	42.1	Very low	51.4	Low	142 Å²	142	90.6 Å²	90.6	66%	0.664	49%	0.485	S	S	*	.	H	α-helix	trans	-62	-33.7	169.7	-67.1	-162	159.7	0	0	112.5	N613	E609-N613 PolarHBondContact O-ND2 3.22Å
610	E	45.8	Very low	54.3	Low	129 Å²	129	85.7 Å²	85.7	60%	0.603	46%	0.462	S	S	*	.	H	α-helix	trans	-70	-39.6	178.6	-138.9	-163.9	173.2	0	0	112	D608 N612 N613 L614	D608-E610 VanDerWaalsContact C-N 3.27Å; D608-E610 PolarHBondContact O-N 3.39Å; E610-N612 VanDerWaalsContact C-N 3.33Å; E610-N612 PolarHBondContact O-N 3.36Å; E610-N613 PolarHBondContact O-N 3.26Å; E610-N613 VanDerWaalsContact O-N 3.14Å; E610-L614 VanDerWaalsContact O-CD1 3.3Å; E610-L614 WeakPolarHBondContact O-CD1 3.34Å
611	K	46	Very low	57.4	Low	119 Å²	119	81.4 Å²	81.4	52%	0.517	43%	0.432	S	S	.	.	H	α-helix	trans	-61.6	-39.4	176.8	-71	177.6	-164.7	147	0	112.6	D608 N613 L614	D608-K611 PolarHBondContact O-N 3.41Å; D608-K611 IonicContact OD1-NZ 3.4Å; D608-K611 PolarHBondContact OD1-NZ 3.12Å; K611-N613 PolarHBondContact O-N 3Å; K611-L614 PolarHBondContact O-N 3.43Å
612	N	52.1	Low	60.4	Low	124 Å²	124	75.6 Å²	75.6	66%	0.663	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-7	179.5	-66.5	-28.1	0	0	0	113.2	D608 E610	D608-N612 PolarHBondContact O-N 3.19Å; D608-N612 PolarHBondContact O-ND2 3.46Å; E610-N612 VanDerWaalsContact C-N 3.33Å; E610-N612 PolarHBondContact O-N 3.36Å
613	N	63.5	Low	63.1	Low	109 Å²	109	69.2 Å²	69.2	58%	0.583	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.8	27.8	179.8	-73.4	-73.8	0	0	0	113.4	E609 E610 K611 R637	E609-N613 PolarHBondContact O-ND2 3.22Å; E610-N613 PolarHBondContact O-N 3.26Å; E610-N613 VanDerWaalsContact O-N 3.14Å; K611-N613 PolarHBondContact O-N 3Å; N613-R637 PolarHBondContact O-NH2 3.08Å; N613-R637 VanDerWaalsContact O-NH2 3.13Å
614	L	72.4	Confident	65.6	Low	49 Å²	49	65.3 Å²	65.3	26%	0.257	36%	0.361	S	S	.	.			trans	-99	134.2	164.4	-72.4	104.7	0	0	0	111	E610 K611 H635 R637	E610-L614 VanDerWaalsContact O-CD1 3.3Å; E610-L614 WeakPolarHBondContact O-CD1 3.34Å; K611-L614 PolarHBondContact O-N 3.43Å; L614-H635 HydrophobicContact CB-CB 4.17Å; L614-R637 HydrophobicContact CD2-CG 4.3Å
615	P	77.7	Confident	67.6	Low	0 Å²	0	61 Å²	61	0%	0	34%	0.34	C	S	.	.			trans	-69	161.2	179.6	27.5	-31.7	0	0	0	112.3	V572 P617 H635 T636 R637 D663 L672	V572-P615 HydrophobicContact CG2-CB 3.77Å; V572-P615 HydrophobicContact CG2-CG 3.83Å; P615-P617 WeakPolarHBondContact O-CD 3.41Å; P615-H635 CarbonylContact O-C 3.4Å; P615-H635 WeakPolarHBondContact O-CA 3.2Å; P615-H635 PolarHBondContact O-N 3.05Å; P615-T636 PolarHBondContact O-N 3.32Å; P615-R637 HydrophobicContact CG-CG 4.31Å; P615-D663 WeakPolarHBondContact CA-OD1 3.22Å; P615-D663 HydrophobicContact CB-CB 4.01Å; P615-D663 VanDerWaalsContact CB-CG 3.41Å; P615-D663 WeakPolarHBondContact CB-OD1 3.35Å; P615-L672 HydrophobicContact CB-CD1 3.95Å; P615-L672 HydrophobicContact CB-CD2 4.27Å; P615-L672 HydrophobicContact CG-CD1 4.26Å
616	C	85.9	Confident	70.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.014	33%	0.332	C	S	.	.			trans	-105.5	75	167	-67.6	0	0	0	0	109.5	V632 V633 M634 H635 D663 D664	C616-V632 HydrophobicContact CB-CG1 3.87Å; C616-V633 CarbonylContact C-O 3.52Å; C616-V633 VanDerWaalsContact CA-O 3.24Å; C616-V633 WeakPolarHBondContact CA-O 3.3Å; C616-M634 HydrophobicContact CB-SD 4.48Å; C616-H635 PolarHBondContact SG-N 2.64Å; C616-H635 VanDerWaalsContact SG-N 3.39Å; C616-D663 PolarHBondContact N-OD1 2.81Å; C616-D664 PolarHBondContact O-N 2.79Å
617	P	87	Confident	72.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	136.1	-172.8	26.6	-39	0	0	0	114.2	L570 P615 V633 T636 P639 W641 V661 F662 L672	L570-P617 HydrophobicContact CD1-CB 3.92Å; L570-P617 HydrophobicContact CD1-CG 4.45Å; P615-P617 WeakPolarHBondContact O-CD 3.41Å; P617-V633 WeakPolarHBondContact CD-O 3.19Å; P617-V633 PolarHBondContact O-N 2.93Å; P617-V633 VanDerWaalsContact O-N 3.08Å; P617-T636 VanDerWaalsContact CD-O 3.32Å; P617-T636 WeakPolarHBondContact CD-O 3.06Å; P617-T636 HydrophobicContact CG-CG2 4.13Å; P617-T636 WeakPolarHBondContact CG-O 3.24Å; P617-P639 HydrophobicContact CB-CB 4.4Å; P617-P639 HydrophobicContact CB-CG 4.06Å; P617-P639 HydrophobicContact CG-CB 3.64Å; P617-P639 HydrophobicContact CG-CG 3.65Å; P617-W641 HydrophobicContact CB-CZ2 4.05Å; P617-V661 HydrophobicContact CB-CG1 4Å; P617-F662 CarbonylContact C-O 3.56Å; P617-F662 VanDerWaalsContact CA-O 3.32Å; P617-F662 WeakPolarHBondContact CA-O 3.48Å; P617-L672 HydrophobicContact CB-CD1 3.88Å
618	T	91.1	Very high	75.5	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.3	176	-55.2	0	0	0	0	108.7	F620 Q629 V632 V661 F662	T618-F620 HydrophobicContact CG2-CE2 4.01Å; T618-F620 HydrophobicContact CG2-CZ 4.48Å; T618-Q629 HydrophobicContact CG2-CG 3.93Å; T618-V632 WeakPolarHBondContact OG1-CG2 3.28Å; T618-V661 WeakPolarHBondContact O-CA 3.47Å; T618-F662 PolarHBondContact N-O 3.5Å; T618-F662 PolarHBondContact O-N 2.77Å
619	A	91.9	Very high	77.9	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	137.9	-178.5	0	0	0	0	0	111.5	L564 L621 S630 W641 V661	L564-A619 HydrophobicContact CD2-CB 3.47Å; L564-A619 VanDerWaalsContact CD2-CB 3.47Å; A619-L621 HydrophobicContact CB-CD1 4.28Å; A619-S630 PolarHBondContact N-OG 3.22Å; A619-S630 PolarHBondContact O-N 3.14Å; A619-S630 PolarHBondContact O-OG 3.21Å; A619-W641 HydrophobicContact CB-CH2 4.14Å; A619-W641 HydrophobicContact CB-CZ2 3.94Å; A619-V661 HydrophobicContact CB-CG2 4.16Å
620	F	92.4	Very high	80.3	Confident	59 Å²	59	53.5 Å²	53.5	26%	0.259	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.4	169.8	-66.2	-102.2	0	0	0	108.1	T618 T627 H628 Q629 C659 E660 F662	T618-F620 HydrophobicContact CG2-CE2 4.01Å; T618-F620 HydrophobicContact CG2-CZ 4.48Å; F620-T627 HydrophobicContact CB-CG2 4.24Å; F620-T627 HydrophobicContact CD1-CG2 4.26Å; F620-H628 CarbonylContact C-O 3.58Å; F620-H628 WeakPolarHBondContact CA-O 3.3Å; F620-Q629 HydrophobicContact CD1-CB 3.96Å; F620-Q629 HydrophobicContact CD1-CG 3.96Å; F620-Q629 HydrophobicContact CE1-CB 3.85Å; F620-Q629 VanDerWaalsContact CE1-CD 3.46Å; F620-Q629 HydrophobicContact CE1-CG 3.51Å; F620-Q629 HydrophobicContact CE2-CG 4.25Å; F620-Q629 VanDerWaalsContact CZ-CD 3.47Å; F620-Q629 HydrophobicContact CZ-CG 3.68Å; F620-C659 VanDerWaalsContact O-CA 3.29Å; F620-C659 WeakPolarHBondContact O-CA 3.24Å; F620-E660 PolarHBondContact N-O 2.95Å; F620-E660 PolarHBondContact O-N 3.44Å; F620-F662 AromaticContact CD2-CD2 3.65Å; F620-F662 HydrophobicContact CD2-CD2 3.65Å; F620-F662 HydrophobicContact CD2-CE2 4.05Å; F620-F662 AromaticContact CE2-CD2 3.9Å; F620-F662 HydrophobicContact CE2-CD2 3.9Å
621	L	93	Very high	82.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.5	-178.9	-64.3	87.6	0	0	0	108.9	V562 L564 A619 T627 H628 F645 F647 L657	V562-L621 HydrophobicContact CG1-CD2 3.78Å; L564-L621 HydrophobicContact CD2-CD1 4.19Å; A619-L621 HydrophobicContact CB-CD1 4.28Å; L621-T627 CarbonylContact O-C 3.53Å; L621-T627 VanDerWaalsContact O-CA 3.31Å; L621-T627 WeakPolarHBondContact O-CA 3.32Å; L621-H628 PolarHBondContact N-O 3.45Å; L621-H628 PolarHBondContact O-N 2.93Å; L621-F645 HydrophobicContact CD1-CD2 3.84Å; L621-F645 HydrophobicContact CD1-CE2 3.63Å; L621-F645 HydrophobicContact CD1-CZ 4.18Å; L621-F645 HydrophobicContact CD2-CD2 3.82Å; L621-F645 HydrophobicContact CD2-CE2 4.31Å; L621-F645 HydrophobicContact CG-CD2 4.41Å; L621-F647 HydrophobicContact CB-CZ 3.89Å; L621-F647 WeakPolarHBondContact O-CZ 3.27Å; L621-L657 HydrophobicContact CB-CD1 4.23Å; L621-L657 HydrophobicContact CD2-CD1 4.41Å
622	T	91.1	Very high	84.2	Confident	26 Å²	26	48 Å²	48	16%	0.16	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132	179.9	-59.3	0	0	0	0	110.4	G624 K626 T627 Q658	T622-G624 WeakPolarHBondContact CG2-O 3.5Å; T622-K626 WeakPolarHBondContact CA-O 3.15Å; T622-T627 WeakPolarHBondContact OG1-CG2 3.41Å; T622-T627 PolarHBondContact OG1-OG1 3.49Å; T622-Q658 PolarHBondContact N-O 3.31Å; T622-Q658 PolarHBondContact O-N 2.71Å
623	V	88.2	Confident	85.7	Confident	13 Å²	13	43.7 Å²	43.7	8%	0.079	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.5	166.6	176.8	0	0	0	0	108	L560 T625 K626 F647 V649 L657 F679	L560-V623 HydrophobicContact CD2-CG2 4.14Å; V623-T625 PolarHBondContact O-N 2.81Å; V623-K626 PolarHBondContact N-O 3.34Å; V623-K626 PolarHBondContact O-N 3.39Å; V623-K626 VanDerWaalsContact O-N 3.17Å; V623-F647 HydrophobicContact CB-CB 4.1Å; V623-F647 HydrophobicContact CB-CD1 3.53Å; V623-F647 HydrophobicContact CB-CD2 4.46Å; V623-F647 HydrophobicContact CB-CE1 3.99Å; V623-F647 HydrophobicContact CB-CG 3.78Å; V623-F647 HydrophobicContact CG1-CB 4.34Å; V623-F647 HydrophobicContact CG2-CB 4.22Å; V623-F647 HydrophobicContact CG2-CD1 3.69Å; V623-F647 HydrophobicContact CG2-CD2 3.8Å; V623-F647 HydrophobicContact CG2-CE1 3.88Å; V623-F647 HydrophobicContact CG2-CE2 4Å; V623-F647 HydrophobicContact CG2-CG 3.63Å; V623-F647 HydrophobicContact CG2-CZ 4.03Å; V623-V649 HydrophobicContact CG1-CG2 4.17Å; V623-L657 HydrophobicContact CG2-CD1 3.52Å; V623-F679 HydrophobicContact CB-CE2 4.49Å; V623-F679 HydrophobicContact CG1-CE2 3.75Å; V623-F679 HydrophobicContact CG1-CZ 4.43Å; V623-F679 HydrophobicContact CG2-CE2 3.9Å; V623-F679 HydrophobicContact CG2-CZ 3.73Å
624	G	82.9	Confident	86.6	Confident	60 Å²	60	44.3 Å²	44.3	62%	0.619	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	55	-106.6	-170.7	0	0	0	0	0	110.7	T622	T622-G624 WeakPolarHBondContact CG2-O 3.5Å
625	T	78	Confident	87	Confident	51 Å²	51	47.1 Å²	47.1	31%	0.313	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	1.6	-171.8	59.6	0	0	0	0	113.8	I382 V623	I382-T625 HydrophobicContact CB-CG2 4.46Å; I382-T625 HydrophobicContact CD1-CG2 3.46Å; I382-T625 VanDerWaalsContact CD1-CG2 3.46Å; I382-T625 HydrophobicContact CG1-CG2 3.89Å; V623-T625 PolarHBondContact O-N 2.81Å
626	K	85.8	Confident	87.2	Confident	102 Å²	102	48.6 Å²	48.6	44%	0.443	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.2	171.7	-75.6	-165.9	173.9	-164.2	0	110.1	T622 V623 F647	T622-K626 WeakPolarHBondContact CA-O 3.15Å; V623-K626 PolarHBondContact N-O 3.34Å; V623-K626 PolarHBondContact O-N 3.39Å; V623-K626 VanDerWaalsContact O-N 3.17Å; K626-F647 HydrophobicContact CB-CD1 4.05Å; K626-F647 HydrophobicContact CB-CE1 4.37Å
627	T	88.5	Confident	86.9	Confident	75 Å²	75	52.7 Å²	52.7	46%	0.46	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.8	171	-55.5	0	0	0	0	109.8	F620 L621 T622	F620-T627 HydrophobicContact CB-CG2 4.24Å; F620-T627 HydrophobicContact CD1-CG2 4.26Å; L621-T627 CarbonylContact O-C 3.53Å; L621-T627 VanDerWaalsContact O-CA 3.31Å; L621-T627 WeakPolarHBondContact O-CA 3.32Å; T622-T627 WeakPolarHBondContact OG1-CG2 3.41Å; T622-T627 PolarHBondContact OG1-OG1 3.49Å
628	H	90.9	Very high	86.8	Confident	85 Å²	85	56.7 Å²	56.7	39%	0.394	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	153.3	168.3	-72.2	-70.5	0	0	0	110.3	F620 L621 F645 E646 F647	F620-H628 CarbonylContact C-O 3.58Å; F620-H628 WeakPolarHBondContact CA-O 3.3Å; L621-H628 PolarHBondContact N-O 3.45Å; L621-H628 PolarHBondContact O-N 2.93Å; H628-F645 HydrophobicContact CB-CB 4.4Å; H628-F645 HydrophobicContact CB-CD1 3.48Å; H628-F645 VanDerWaalsContact CB-CD1 3.48Å; H628-F645 HydrophobicContact CB-CE1 4.02Å; H628-F645 HydrophobicContact CB-CG 4.1Å; H628-F645 AromaticContact CG-CD1 3.94Å; H628-E646 PolarHBondContact NE2-O 3.19Å; H628-F647 AromaticContact CD2-CE1 3.58Å; H628-F647 AromaticContact CD2-CZ 3.68Å
629	Q	90.7	Very high	86.5	Confident	109 Å²	109	56.5 Å²	56.5	51%	0.509	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.9	179.7	-176.8	-176.6	-5.9	0	0	109.7	T618 F620	T618-Q629 HydrophobicContact CG2-CG 3.93Å; F620-Q629 HydrophobicContact CD1-CB 3.96Å; F620-Q629 HydrophobicContact CD1-CG 3.96Å; F620-Q629 HydrophobicContact CE1-CB 3.85Å; F620-Q629 VanDerWaalsContact CE1-CD 3.46Å; F620-Q629 HydrophobicContact CE1-CG 3.51Å; F620-Q629 HydrophobicContact CE2-CG 4.25Å; F620-Q629 VanDerWaalsContact CZ-CD 3.47Å; F620-Q629 HydrophobicContact CZ-CG 3.68Å
630	S	91.3	Very high	86.3	Confident	8 Å²	8	62.2 Å²	62.2	6%	0.056	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-78.6	173	173.7	76.5	0	0	0	0	112.7	A619 W641	A619-S630 PolarHBondContact N-OG 3.22Å; A619-S630 PolarHBondContact O-N 3.14Å; A619-S630 PolarHBondContact O-OG 3.21Å; S630-W641 PolarHBondContact OG-NE1 3.19Å; S630-W641 VanDerWaalsContact OG-NE1 3.09Å
631	K	88.4	Confident	86	Confident	81 Å²	81	60 Å²	60	35%	0.352	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-62.5	153.6	160.5	-59.3	154.1	-151.3	156.9	0	110	W641 E643 D909	K631-W641 VanDerWaalsContact O-CD1 3.29Å; K631-W641 PolarHBondContact O-NE1 2.93Å; K631-W641 VanDerWaalsContact O-NE1 3.12Å; K631-E643 VanDerWaalsContact CB-OE1 3.32Å; K631-E643 WeakPolarHBondContact CB-OE1 3.5Å; K631-E643 HydrophobicContact CD-CG 4.26Å; K631-E643 WeakPolarHBondContact CD-OE1 3.16Å; K631-E643 VanDerWaalsContact CE-OE2 3.29Å; K631-E643 WeakPolarHBondContact CE-OE2 3.26Å; K631-E643 WeakPolarHBondContact CG-OE1 3.36Å; K631-E643 PolarHBondContact N-OE1 2.78Å; K631-E643 PolarHBondContact N-OE2 3.19Å; K631-E643 VanDerWaalsContact NZ-CG 3.32Å; K631-E643 IonicContact NZ-OE1 3Å; K631-E643 IonicContact NZ-OE2 2.72Å; K631-D909 IonicContact NZ-OD2 3.5Å; K631-D909 PolarHBondContact NZ-OD2 3.35Å
632	V	85.9	Confident	85.8	Confident	53 Å²	53	62.1 Å²	62.1	32%	0.321	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-75.1	127.2	166.4	-170.3	0	0	0	0	108.4	C616 T618 M634 D664	C616-V632 HydrophobicContact CB-CG1 3.87Å; T618-V632 WeakPolarHBondContact OG1-CG2 3.28Å; V632-M634 HydrophobicContact CG1-SD 3.89Å; V632-D664 HydrophobicContact CG1-CB 4.18Å
633	V	84.3	Confident	85.6	Confident	33 Å²	33	62 Å²	62	20%	0.2	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-102.4	119.5	171.6	-174.2	0	0	0	0	108.3	C616 P617 T636 P639 W641	C616-V633 CarbonylContact C-O 3.52Å; C616-V633 VanDerWaalsContact CA-O 3.24Å; C616-V633 WeakPolarHBondContact CA-O 3.3Å; P617-V633 WeakPolarHBondContact CD-O 3.19Å; P617-V633 PolarHBondContact O-N 2.93Å; P617-V633 VanDerWaalsContact O-N 3.08Å; V633-T636 HydrophobicContact CB-CG2 4.25Å; V633-T636 HydrophobicContact CG1-CG2 3.55Å; V633-P639 HydrophobicContact CB-CB 4.05Å; V633-P639 HydrophobicContact CG1-CB 4.24Å; V633-P639 HydrophobicContact CG2-CB 4.19Å; V633-W641 HydrophobicContact CG2-CG 4.18Å
634	M	80.8	Confident	85.7	Confident	121 Å²	121	63.5 Å²	63.5	60%	0.596	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-78.3	134.9	-168.8	-54	-61	-72.4	0	0	112.7	C616 V632 T636	C616-M634 HydrophobicContact CB-SD 4.48Å; V632-M634 HydrophobicContact CG1-SD 3.89Å; M634-T636 PolarHBondContact O-N 2.72Å
635	H	81.1	Confident	86	Confident	108 Å²	108	61.6 Å²	61.6	50%	0.5	30%	0.304	S	S	.	.	S	Bend	trans	49.3	56.5	168.1	-48.4	105.7	0	0	0	115.2	L614 P615 C616	L614-H635 HydrophobicContact CB-CB 4.17Å; P615-H635 CarbonylContact O-C 3.4Å; P615-H635 WeakPolarHBondContact O-CA 3.2Å; P615-H635 PolarHBondContact O-N 3.05Å; C616-H635 PolarHBondContact SG-N 2.64Å; C616-H635 VanDerWaalsContact SG-N 3.39Å
636	T	81.4	Confident	86.6	Confident	32 Å²	32	61.4 Å²	61.4	20%	0.196	30%	0.3	C	S	.	.			trans	-147.2	139.7	176.9	-176	0	0	0	0	114	P615 P617 V633 M634 N638 P639	P615-T636 PolarHBondContact O-N 3.32Å; P617-T636 VanDerWaalsContact CD-O 3.32Å; P617-T636 WeakPolarHBondContact CD-O 3.06Å; P617-T636 HydrophobicContact CG-CG2 4.13Å; P617-T636 WeakPolarHBondContact CG-O 3.24Å; V633-T636 HydrophobicContact CB-CG2 4.25Å; V633-T636 HydrophobicContact CG1-CG2 3.55Å; M634-T636 PolarHBondContact O-N 2.72Å; T636-N638 VanDerWaalsContact C-N 3.34Å; T636-N638 VanDerWaalsContact OG1-C 3.3Å; T636-N638 PolarHBondContact OG1-N 3.09Å; T636-N638 PolarHBondContact OG1-O 2.74Å; T636-P639 HydrophobicContact CG2-CB 3.98Å
637	R	79.4	Confident	86.7	Confident	88 Å²	88	56.7 Å²	56.7	33%	0.332	28%	0.28	S	S	.	.	S	Bend	trans	-86.7	-7.1	168.4	-61.9	-175.9	-172.9	144.9	7	112.9	N569 L570 N613 L614 P615	N569-R637 PolarHBondContact N-O 2.81Å; L570-R637 PolarHBondContact N-O 2.72Å; L570-R637 VanDerWaalsContact O-CB 3.3Å; L570-R637 WeakPolarHBondContact O-CB 3.45Å; L570-R637 VanDerWaalsContact O-CG 3.24Å; L570-R637 WeakPolarHBondContact O-CG 3.38Å; N613-R637 PolarHBondContact O-NH2 3.08Å; N613-R637 VanDerWaalsContact O-NH2 3.13Å; L614-R637 HydrophobicContact CD2-CG 4.3Å; P615-R637 HydrophobicContact CG-CG 4.31Å
638	N	84.8	Confident	86.6	Confident	83 Å²	83	58.6 Å²	58.6	44%	0.444	28%	0.278	S	S	.	.	S	Bend	trans	-129.7	69.7	-179.6	-59.7	-51	0	0	0	109.9	A567 K568 N569 T636	A567-N638 CarbonylContact O-C 3.39Å; A567-N638 VanDerWaalsContact O-CA 3.24Å; A567-N638 WeakPolarHBondContact O-CA 3.06Å; K568-N638 WeakPolarHBondContact CA-OD1 3.4Å; N569-N638 PolarHBondContact N-OD1 2.93Å; T636-N638 VanDerWaalsContact C-N 3.34Å; T636-N638 VanDerWaalsContact OG1-C 3.3Å; T636-N638 PolarHBondContact OG1-N 3.09Å; T636-N638 PolarHBondContact OG1-O 2.74Å
639	P	85.9	Confident	86.3	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.262	C	S	.	.			trans	-69	145.1	-179.7	28.3	-35.5	0	0	0	112.6	G566 A567 L570 P617 V633 T636 W641	G566-P639 CarbonylContact C-O 3.55Å; G566-P639 WeakPolarHBondContact CA-O 3.46Å; A567-P639 HydrophobicContact CB-CG 3.91Å; A567-P639 PolarHBondContact N-O 3.04Å; A567-P639 WeakPolarHBondContact O-CD 3.39Å; L570-P639 HydrophobicContact CD1-CG 3.81Å; P617-P639 HydrophobicContact CB-CB 4.4Å; P617-P639 HydrophobicContact CB-CG 4.06Å; P617-P639 HydrophobicContact CG-CB 3.64Å; P617-P639 HydrophobicContact CG-CG 3.65Å; V633-P639 HydrophobicContact CB-CB 4.05Å; V633-P639 HydrophobicContact CG1-CB 4.24Å; V633-P639 HydrophobicContact CG2-CB 4.19Å; T636-P639 HydrophobicContact CG2-CB 3.98Å; P639-W641 HydrophobicContact CB-CD2 4.25Å; P639-W641 HydrophobicContact CB-CE3 4.28Å; P639-W641 HydrophobicContact CB-CH2 3.96Å; P639-W641 HydrophobicContact CB-CZ2 3.88Å; P639-W641 HydrophobicContact CB-CZ3 4.15Å; P639-W641 HydrophobicContact CG-CE3 4.28Å; P639-W641 HydrophobicContact CG-CH2 3.36Å; P639-W641 HydrophobicContact CG-CZ2 3.74Å; P639-W641 HydrophobicContact CG-CZ3 3.66Å
640	L	86.8	Confident	85.7	Confident	120 Å²	120	54.3 Å²	54.3	63%	0.628	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	116.2	165.3	-67.3	170.2	0	0	0	106.6	V565	V565-L640 WeakPolarHBondContact O-CA 3.2Å
641	W	87.3	Confident	84.7	Confident	11 Å²	11	54.3 Å²	54.3	4%	0.042	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-42.5	177.8	-68.3	-80.3	0	0	0	110.7	L564 V565 A567 P617 A619 S630 K631 V633 P639 E643 V661 I703	L564-W641 HydrophobicContact CD1-CE3 3.81Å; L564-W641 HydrophobicContact CD1-CZ3 4Å; L564-W641 HydrophobicContact CD2-CB 4.06Å; L564-W641 HydrophobicContact CD2-CD2 3.59Å; L564-W641 HydrophobicContact CD2-CE3 3.48Å; L564-W641 VanDerWaalsContact CD2-CE3 3.48Å; L564-W641 HydrophobicContact CD2-CG 3.86Å; L564-W641 HydrophobicContact CD2-CZ3 4.06Å; L564-W641 HydrophobicContact CG-CB 4.14Å; L564-W641 HydrophobicContact CG-CD2 4.07Å; L564-W641 HydrophobicContact CG-CE3 3.57Å; L564-W641 HydrophobicContact CG-CG 4.33Å; L564-W641 HydrophobicContact CG-CZ3 4.24Å; V565-W641 PolarHBondContact O-N 2.75Å; A567-W641 HydrophobicContact CB-CH2 4.14Å; A567-W641 HydrophobicContact CB-CZ3 3.85Å; P617-W641 HydrophobicContact CB-CZ2 4.05Å; A619-W641 HydrophobicContact CB-CH2 4.14Å; A619-W641 HydrophobicContact CB-CZ2 3.94Å; S630-W641 PolarHBondContact OG-NE1 3.19Å; S630-W641 VanDerWaalsContact OG-NE1 3.09Å; K631-W641 VanDerWaalsContact O-CD1 3.29Å; K631-W641 PolarHBondContact O-NE1 2.93Å; K631-W641 VanDerWaalsContact O-NE1 3.12Å; V633-W641 HydrophobicContact CG2-CG 4.18Å; P639-W641 HydrophobicContact CB-CD2 4.25Å; P639-W641 HydrophobicContact CB-CE3 4.28Å; P639-W641 HydrophobicContact CB-CH2 3.96Å; P639-W641 HydrophobicContact CB-CZ2 3.88Å; P639-W641 HydrophobicContact CB-CZ3 4.15Å; P639-W641 HydrophobicContact CG-CE3 4.28Å; P639-W641 HydrophobicContact CG-CH2 3.36Å; P639-W641 HydrophobicContact CG-CZ2 3.74Å; P639-W641 HydrophobicContact CG-CZ3 3.66Å; W641-E643 HydrophobicContact CB-CB 4.34Å; W641-E643 HydrophobicContact CB-CG 4.42Å; W641-E643 PolarHBondContact O-N 2.94Å; W641-V661 HydrophobicContact CH2-CG1 3.99Å; W641-V661 HydrophobicContact CH2-CG2 4.31Å; W641-V661 HydrophobicContact CZ2-CG1 4.19Å; W641-I703 HydrophobicContact CZ3-CD1 4.48Å
642	N	87.6	Confident	83.6	Confident	46 Å²	46	52.7 Å²	52.7	25%	0.246	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	51.2	34.1	-174.8	-64.8	-13.4	0	0	0	112.5	L564 V565 L905 F906	L564-N642 WeakPolarHBondContact O-CA 3.45Å; L564-N642 PolarHBondContact O-N 2.25Å; L564-N642 VanDerWaalsContact O-N 3.08Å; V565-N642 PolarHBondContact O-N 3.05Å; V565-N642 VanDerWaalsContact O-N 3.14Å; V565-N642 PolarHBondContact O-OD1 3.23Å; N642-L905 WeakPolarHBondContact CA-O 3.32Å; N642-L905 WeakPolarHBondContact CB-O 3.19Å; N642-L905 PolarHBondContact OD1-O 2.75Å; N642-F906 WeakPolarHBondContact O-CD2 3.4Å
643	E	88.2	Confident	82.7	Confident	24 Å²	24	53.9 Å²	53.9	11%	0.112	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	151.2	-174.6	-80.5	179.4	-99.6	0	0	111.6	T563 L564 K631 W641 F645	T563-E643 CarbonylContact C-O 3.6Å; T563-E643 VanDerWaalsContact CA-O 3.3Å; T563-E643 WeakPolarHBondContact CA-O 3.17Å; L564-E643 PolarHBondContact N-O 2.78Å; L564-E643 PolarHBondContact O-N 2.91Å; L564-E643 VanDerWaalsContact O-N 3.08Å; K631-E643 VanDerWaalsContact CB-OE1 3.32Å; K631-E643 WeakPolarHBondContact CB-OE1 3.5Å; K631-E643 HydrophobicContact CD-CG 4.26Å; K631-E643 WeakPolarHBondContact CD-OE1 3.16Å; K631-E643 VanDerWaalsContact CE-OE2 3.29Å; K631-E643 WeakPolarHBondContact CE-OE2 3.26Å; K631-E643 WeakPolarHBondContact CG-OE1 3.36Å; K631-E643 PolarHBondContact N-OE1 2.78Å; K631-E643 PolarHBondContact N-OE2 3.19Å; K631-E643 VanDerWaalsContact NZ-CG 3.32Å; K631-E643 IonicContact NZ-OE1 3Å; K631-E643 IonicContact NZ-OE2 2.72Å; W641-E643 HydrophobicContact CB-CB 4.34Å; W641-E643 HydrophobicContact CB-CG 4.42Å; W641-E643 PolarHBondContact O-N 2.94Å; E643-F645 HydrophobicContact CB-CE2 3.89Å; E643-F645 HydrophobicContact CB-CZ 3.78Å
644	R	89.1	Confident	81.9	Confident	44 Å²	44	61.7 Å²	61.7	17%	0.166	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	133	-176.1	-178.5	174.9	165	-164.4	-6.4	111.4	I561 V562 T563 E796 R805 F906	I561-R644 HydrophobicContact CG2-CG 4.23Å; V562-R644 CarbonylContact O-C 3.56Å; V562-R644 WeakPolarHBondContact O-CA 3.48Å; T563-R644 WeakPolarHBondContact OG1-CG 3.4Å; R644-E796 IonicContact CZ-OE1 2.8Å; R644-E796 IonicContact CZ-OE2 2.99Å; R644-E796 IonicContact NH1-OE1 2.72Å; R644-E796 PolarHBondContact NH1-OE1 2.68Å; R644-E796 IonicContact NH1-OE2 3.64Å; R644-E796 VanDerWaalsContact NH2-CD 3.28Å; R644-E796 IonicContact NH2-OE1 3.57Å; R644-E796 PolarHBondContact NH2-OE1 2.95Å; R644-E796 IonicContact NH2-OE2 3.02Å; R644-E796 PolarHBondContact NH2-OE2 2.74Å; R644-R805 VanDerWaalsContact NH2-NH2 3.18Å; R644-F906 HydrophobicContact CB-CD2 3.64Å; R644-F906 HydrophobicContact CB-CE2 3.39Å; R644-F906 HydrophobicContact CB-CG 4.45Å; R644-F906 HydrophobicContact CB-CZ 4Å
645	F	90.6	Very high	81.6	Confident	19 Å²	19	57.5 Å²	57.5	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	161.7	-178	-52.5	-75.4	0	0	0	110	V562 L564 L621 H628 E643 F647	V562-F645 PolarHBondContact N-O 3.04Å; V562-F645 PolarHBondContact O-N 3.36Å; L564-F645 HydrophobicContact CB-CE2 4.02Å; L564-F645 HydrophobicContact CD2-CE2 4.42Å; L621-F645 HydrophobicContact CD1-CD2 3.84Å; L621-F645 HydrophobicContact CD1-CE2 3.63Å; L621-F645 HydrophobicContact CD1-CZ 4.18Å; L621-F645 HydrophobicContact CD2-CD2 3.82Å; L621-F645 HydrophobicContact CD2-CE2 4.31Å; L621-F645 HydrophobicContact CG-CD2 4.41Å; H628-F645 HydrophobicContact CB-CB 4.4Å; H628-F645 HydrophobicContact CB-CD1 3.48Å; H628-F645 VanDerWaalsContact CB-CD1 3.48Å; H628-F645 HydrophobicContact CB-CE1 4.02Å; H628-F645 HydrophobicContact CB-CG 4.1Å; H628-F645 AromaticContact CG-CD1 3.94Å; E643-F645 HydrophobicContact CB-CE2 3.89Å; E643-F645 HydrophobicContact CB-CZ 3.78Å; F645-F647 HydrophobicContact CB-CE2 4.01Å; F645-F647 HydrophobicContact CB-CZ 4.41Å
646	E	89.1	Confident	81.8	Confident	48 Å²	48	55.4 Å²	55.4	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	130.2	-174.4	-176.5	177.2	151.9	0	0	111	R559 L560 H628 R805	R559-E646 WeakPolarHBondContact CD-OE1 3.46Å; R559-E646 IonicContact CZ-OE1 2.68Å; R559-E646 IonicContact NE-OE1 2.84Å; R559-E646 IonicContact NH1-OE1 3.14Å; R559-E646 PolarHBondContact NH1-OE1 3.28Å; L560-E646 WeakPolarHBondContact O-CA 3.45Å; H628-E646 PolarHBondContact NE2-O 3.19Å; E646-R805 IonicContact OE1-NH1 3.56Å; E646-R805 PolarHBondContact OE1-NH1 3.39Å; E646-R805 IonicContact OE2-CZ 2.66Å; E646-R805 VanDerWaalsContact OE2-CZ 3.25Å; E646-R805 IonicContact OE2-NH1 3.98Å; E646-R805 PolarHBondContact OE2-NH1 2.6Å; E646-R805 IonicContact OE2-NH2 3.93Å; E646-R805 PolarHBondContact OE2-NH2 3.42Å
647	F	88.7	Confident	82.2	Confident	2 Å²	2	54 Å²	54	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	136.3	178.7	-54	-91.5	0	0	0	109.2	R559 L560 V562 L621 V623 K626 H628 F645 V649 L657	R559-F647 WeakPolarHBondContact CA-O 3.22Å; L560-F647 HydrophobicContact CB-CB 4.38Å; L560-F647 HydrophobicContact CD2-CB 4.47Å; L560-F647 HydrophobicContact CD2-CD2 4.06Å; L560-F647 PolarHBondContact N-O 2.9Å; L560-F647 PolarHBondContact O-N 3.46Å; V562-F647 HydrophobicContact CB-CE2 4.31Å; V562-F647 HydrophobicContact CG2-CD2 3.95Å; V562-F647 HydrophobicContact CG2-CE2 3.93Å; L621-F647 HydrophobicContact CB-CZ 3.89Å; L621-F647 WeakPolarHBondContact O-CZ 3.27Å; V623-F647 HydrophobicContact CB-CB 4.1Å; V623-F647 HydrophobicContact CB-CD1 3.53Å; V623-F647 HydrophobicContact CB-CD2 4.46Å; V623-F647 HydrophobicContact CB-CE1 3.99Å; V623-F647 HydrophobicContact CB-CG 3.78Å; V623-F647 HydrophobicContact CG1-CB 4.34Å; V623-F647 HydrophobicContact CG2-CB 4.22Å; V623-F647 HydrophobicContact CG2-CD1 3.69Å; V623-F647 HydrophobicContact CG2-CD2 3.8Å; V623-F647 HydrophobicContact CG2-CE1 3.88Å; V623-F647 HydrophobicContact CG2-CE2 4Å; V623-F647 HydrophobicContact CG2-CG 3.63Å; V623-F647 HydrophobicContact CG2-CZ 4.03Å; K626-F647 HydrophobicContact CB-CD1 4.05Å; K626-F647 HydrophobicContact CB-CE1 4.37Å; H628-F647 AromaticContact CD2-CE1 3.58Å; H628-F647 AromaticContact CD2-CZ 3.68Å; F645-F647 HydrophobicContact CB-CE2 4.01Å; F645-F647 HydrophobicContact CB-CZ 4.41Å; F647-V649 HydrophobicContact CB-CG2 4.25Å; F647-L657 HydrophobicContact CE2-CD1 4.3Å; F647-L657 HydrophobicContact CZ-CD1 4.46Å
648	R	85.9	Confident	82.7	Confident	115 Å²	115	51.8 Å²	51.8	43%	0.434	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.9	167.3	-69	-175.7	-175.3	162.2	2.3	107.4	E839	R648-E839 IonicContact CZ-OE1 3.23Å; R648-E839 IonicContact NE-OE1 3.21Å; R648-E839 PolarHBondContact NE-OE1 3.34Å; R648-E839 IonicContact NH2-OE1 2.73Å; R648-E839 PolarHBondContact NH2-OE1 3.19Å
649	V	84.5	Confident	83	Confident	8 Å²	8	47.9 Å²	47.9	5%	0.048	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156	-175.6	-171.1	0	0	0	0	107.8	S558 L560 V623 F647 T655 M709	S558-V649 PolarHBondContact N-O 2.98Å; S558-V649 PolarHBondContact O-N 2.97Å; S558-V649 VanDerWaalsContact O-O 3.09Å; S558-V649 PolarHBondContact OG-O 3.13Å; S558-V649 VanDerWaalsContact OG-O 3.12Å; L560-V649 HydrophobicContact CB-CG2 3.78Å; V623-V649 HydrophobicContact CG1-CG2 4.17Å; F647-V649 HydrophobicContact CB-CG2 4.25Å; V649-T655 WeakPolarHBondContact CG1-OG1 3.12Å; V649-M709 HydrophobicContact CB-CE 4.34Å; V649-M709 HydrophobicContact CB-SD 4.37Å; V649-M709 HydrophobicContact CG1-CE 4.21Å
650	R	78.8	Confident	83.2	Confident	97 Å²	97	48.9 Å²	48.9	37%	0.366	24%	0.235	S	C	.	.			trans	-98.8	121	164.6	-175.1	177.4	-64.9	133.9	-6	107.3	M653	R650-M653 HydrophobicContact CB-CG 4.27Å; R650-M653 HydrophobicContact CB-SD 3.98Å; R650-M653 HydrophobicContact CG-CG 4.43Å; R650-M653 HydrophobicContact CG-SD 4.41Å; R650-M653 PolarHBondContact NH1-SD 3Å; R650-M653 VanDerWaalsContact NH1-SD 3.44Å
651	P	70.4	Confident	83.4	Confident	8 Å²	8	43.2 Å²	43.2	5%	0.052	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	146.9	179.8	29.8	-34.5	0	0	0	110	M551 E552 F555 M653 L712	M551-P651 HydrophobicContact CB-CB 4.16Å; E552-P651 WeakPolarHBondContact CG-O 3.47Å; F555-P651 HydrophobicContact CB-CG 3.57Å; P651-M653 PolarHBondContact O-N 2.68Å; P651-L712 HydrophobicContact CG-CD2 4.29Å
652	G	64.2	Low	83.4	Confident	47 Å²	47	44.6 Å²	44.6	49%	0.485	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-39.5	-174.4	0	0	0	0	0	114	R654	G652-R654 PolarHBondContact O-N 3.34Å
653	M	68.2	Low	83.3	Confident	78 Å²	78	42.7 Å²	42.7	38%	0.384	20%	0.201	S	C	.	.	S	Bend	trans	-64.9	118.9	176.1	-69.1	-171.8	72	0	0	110.7	E552 R650 P651 T655	E552-M653 WeakPolarHBondContact OE1-CA 3.41Å; E552-M653 WeakPolarHBondContact OE1-CG 3.4Å; E552-M653 PolarHBondContact OE1-N 3.24Å; E552-M653 VanDerWaalsContact OE1-N 3.12Å; R650-M653 HydrophobicContact CB-CG 4.27Å; R650-M653 HydrophobicContact CB-SD 3.98Å; R650-M653 HydrophobicContact CG-CG 4.43Å; R650-M653 HydrophobicContact CG-SD 4.41Å; R650-M653 PolarHBondContact NH1-SD 3Å; R650-M653 VanDerWaalsContact NH1-SD 3.44Å; P651-M653 PolarHBondContact O-N 2.68Å; M653-T655 HydrophobicContact CB-CG2 4.33Å; M653-T655 WeakPolarHBondContact O-CB 3.44Å; M653-T655 PolarHBondContact O-N 3.39Å; M653-T655 PolarHBondContact O-OG1 3.17Å
654	R	67.8	Low	82.9	Confident	196 Å²	196	45.4 Å²	45.4	74%	0.74	22%	0.216	S	C	*	.			trans	-51.5	105.3	172.1	-99	-177.8	175.3	-168	-1.3	109.7	G652 S680	G652-R654 PolarHBondContact O-N 3.34Å; R654-S680 WeakPolarHBondContact CG-OG 3.4Å
655	T	72.9	Confident	82	Confident	34 Å²	34	45.2 Å²	45.2	21%	0.209	22%	0.222	C	C	.	.			trans	-138.8	137.7	-174.2	40.7	0	0	0	0	109.1	V649 M653 F679	V649-T655 WeakPolarHBondContact CG1-OG1 3.12Å; M653-T655 HydrophobicContact CB-CG2 4.33Å; M653-T655 WeakPolarHBondContact O-CB 3.44Å; M653-T655 PolarHBondContact O-N 3.39Å; M653-T655 PolarHBondContact O-OG1 3.17Å; T655-F679 WeakPolarHBondContact O-CD2 3.07Å; T655-F679 WeakPolarHBondContact O-CG 3.32Å; T655-F679 PolarHBondContact O-N 3.2Å
656	V	86	Confident	80.4	Confident	64 Å²	64	50.8 Å²	50.8	39%	0.388	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	135	-168.3	-176.8	0	0	0	0	109.3	Q658 Y676 L677 D678	V656-Q658 PolarHBondContact O-N 2.9Å; V656-Y676 HydrophobicContact CG1-CD1 4.06Å; V656-L677 CarbonylContact C-O 3.54Å; V656-L677 WeakPolarHBondContact CA-O 3.28Å; V656-D678 HydrophobicContact CG2-CB 4.38Å
657	L	89.4	Confident	78.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	118.9	162.8	-169.5	62.3	0	0	0	108.3	V562 L621 V623 F647 Y676 L677 F679 I705	V562-L657 HydrophobicContact CG1-CD2 3.98Å; L621-L657 HydrophobicContact CB-CD1 4.23Å; L621-L657 HydrophobicContact CD2-CD1 4.41Å; V623-L657 HydrophobicContact CG2-CD1 3.52Å; F647-L657 HydrophobicContact CE2-CD1 4.3Å; F647-L657 HydrophobicContact CZ-CD1 4.46Å; L657-Y676 VanDerWaalsContact O-CA 3.29Å; L657-Y676 WeakPolarHBondContact O-CA 3.44Å; L657-L677 HydrophobicContact CB-CB 4.1Å; L657-L677 HydrophobicContact CD2-CD2 4.48Å; L657-L677 PolarHBondContact N-O 3.02Å; L657-L677 PolarHBondContact O-N 3.46Å; L657-F679 HydrophobicContact CB-CE1 3.7Å; L657-F679 HydrophobicContact CB-CZ 3.5Å; L657-F679 VanDerWaalsContact CB-CZ 3.5Å; L657-F679 HydrophobicContact CD1-CZ 4.34Å; L657-F679 HydrophobicContact CG-CZ 4.44Å; L657-F679 VanDerWaalsContact N-CZ 3.3Å; L657-I705 HydrophobicContact CD2-CD1 3.98Å; L657-I705 HydrophobicContact CD2-CG2 4.42Å
658	Q	90.7	Very high	76.9	Confident	43 Å²	43	61.3 Å²	61.3	20%	0.201	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	120.6	162	179.8	173.9	7	0	0	108.4	T622 V656 E660 Y676	T622-Q658 PolarHBondContact N-O 3.31Å; T622-Q658 PolarHBondContact O-N 2.71Å; V656-Q658 PolarHBondContact O-N 2.9Å; Q658-E660 HydrophobicContact CG-CG 4.1Å; Q658-E660 PolarHBondContact NE2-OE1 2.52Å; Q658-Y676 HydrophobicContact CB-CD1 4.16Å; Q658-Y676 HydrophobicContact CB-CE1 3.93Å; Q658-Y676 HydrophobicContact CG-CD1 4.24Å; Q658-Y676 HydrophobicContact CG-CE1 3.62Å; Q658-Y676 PolarHBondContact NE2-OH 3.42Å
659	C	91.6	Very high	76	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	113.2	169.6	-169.5	0	0	0	0	110	F620 R674 F675	F620-C659 VanDerWaalsContact O-CA 3.29Å; F620-C659 WeakPolarHBondContact O-CA 3.24Å; C659-R674 WeakPolarHBondContact O-CA 3.38Å; C659-F675 HydrophobicContact CB-CB 4.34Å; C659-F675 PolarHBondContact N-O 3.39Å; C659-F675 PolarHBondContact O-N 2.87Å
660	E	90.4	Very high	75.7	Confident	22 Å²	22	60.2 Å²	60.2	10%	0.103	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.2	171.7	-57.5	-160.7	123	0	0	108.5	K310 F620 Q658 F662 L671 R674	K310-E660 IonicContact NZ-OE1 3.75Å; K310-E660 PolarHBondContact NZ-OE1 3.33Å; K310-E660 IonicContact NZ-OE2 2.8Å; K310-E660 PolarHBondContact NZ-OE2 2.99Å; F620-E660 PolarHBondContact N-O 2.95Å; F620-E660 PolarHBondContact O-N 3.44Å; Q658-E660 HydrophobicContact CG-CG 4.1Å; Q658-E660 PolarHBondContact NE2-OE1 2.52Å; E660-F662 HydrophobicContact CB-CD2 4.28Å; E660-F662 HydrophobicContact CB-CE2 3.5Å; E660-F662 HydrophobicContact CB-CZ 4.08Å; E660-L671 HydrophobicContact CB-CD1 4.09Å; E660-R674 HydrophobicContact CG-CG 4.27Å; E660-R674 IonicContact OE1-CZ 3.48Å; E660-R674 VanDerWaalsContact OE1-CZ 3.25Å; E660-R674 IonicContact OE1-NE 3.38Å; E660-R674 PolarHBondContact OE1-NE 2.87Å; E660-R674 IonicContact OE1-NH2 3.95Å; E660-R674 PolarHBondContact OE1-NH2 3.47Å
661	V	89.7	Confident	75.9	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.3	177.2	-174.2	0	0	0	0	109.5	L570 P617 T618 A619 W641 L672 G673 F675 I703	L570-V661 HydrophobicContact CD1-CG1 3.99Å; P617-V661 HydrophobicContact CB-CG1 4Å; T618-V661 WeakPolarHBondContact O-CA 3.47Å; A619-V661 HydrophobicContact CB-CG2 4.16Å; W641-V661 HydrophobicContact CH2-CG1 3.99Å; W641-V661 HydrophobicContact CH2-CG2 4.31Å; W641-V661 HydrophobicContact CZ2-CG1 4.19Å; V661-L672 HydrophobicContact CG1-CB 4.46Å; V661-L672 HydrophobicContact CG1-CD1 4.28Å; V661-L672 WeakPolarHBondContact O-CB 3.46Å; V661-L672 PolarHBondContact O-N 3.5Å; V661-G673 PolarHBondContact N-O 2.68Å; V661-G673 PolarHBondContact O-N 2.67Å; V661-F675 HydrophobicContact CG2-CD2 4.26Å; V661-F675 HydrophobicContact CG2-CE2 3.86Å; V661-I703 HydrophobicContact CG2-CD1 4.01Å
662	F	87.3	Confident	76.5	Confident	41 Å²	41	57.1 Å²	57.1	18%	0.18	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.7	-178.8	-64	-95.4	0	0	0	111.7	P617 T618 F620 E660 N670 L671	P617-F662 CarbonylContact C-O 3.56Å; P617-F662 VanDerWaalsContact CA-O 3.32Å; P617-F662 WeakPolarHBondContact CA-O 3.48Å; T618-F662 PolarHBondContact N-O 3.5Å; T618-F662 PolarHBondContact O-N 2.77Å; F620-F662 AromaticContact CD2-CD2 3.65Å; F620-F662 HydrophobicContact CD2-CD2 3.65Å; F620-F662 HydrophobicContact CD2-CE2 4.05Å; F620-F662 AromaticContact CE2-CD2 3.9Å; F620-F662 HydrophobicContact CE2-CD2 3.9Å; E660-F662 HydrophobicContact CB-CD2 4.28Å; E660-F662 HydrophobicContact CB-CE2 3.5Å; E660-F662 HydrophobicContact CB-CZ 4.08Å; F662-N670 CarbonylContact C-O 3.56Å; F662-N670 WeakPolarHBondContact CA-O 3.41Å; F662-L671 HydrophobicContact CD1-CB 4.16Å; F662-L671 HydrophobicContact CD1-CD1 4.2Å; F662-L671 HydrophobicContact CE1-CB 4.05Å; F662-L671 HydrophobicContact CE1-CD1 3.86Å; F662-L671 HydrophobicContact CE2-CD1 4.23Å; F662-L671 HydrophobicContact CZ-CD1 3.88Å
663	D	86	Confident	77.5	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.027	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.8	168.8	-175.6	9.9	0	0	0	110.5	P615 C616 S665 T669 N670 L672	P615-D663 WeakPolarHBondContact CA-OD1 3.22Å; P615-D663 HydrophobicContact CB-CB 4.01Å; P615-D663 VanDerWaalsContact CB-CG 3.41Å; P615-D663 WeakPolarHBondContact CB-OD1 3.35Å; C616-D663 PolarHBondContact N-OD1 2.81Å; D663-S665 WeakPolarHBondContact OD1-CB 3.43Å; D663-S665 PolarHBondContact OD1-N 2.92Å; D663-S665 PolarHBondContact OD1-OG 3.3Å; D663-S665 PolarHBondContact OD2-OG 2.83Å; D663-T669 WeakPolarHBondContact O-CA 3.22Å; D663-N670 HydrophobicContact CB-CB 4.31Å; D663-N670 PolarHBondContact N-O 2.72Å; D663-L672 HydrophobicContact CB-CD1 4.03Å; D663-L672 HydrophobicContact CB-CD2 4.12Å; D663-L672 HydrophobicContact CB-CG 4.07Å
664	D	80.1	Confident	78.4	Confident	82 Å²	82	54.2 Å²	54.2	44%	0.439	26%	0.264	S	S	.	.			trans	-101	18	177.8	-157.9	35.6	0	0	0	112.3	C616 V632 H666	C616-D664 PolarHBondContact O-N 2.79Å; V632-D664 HydrophobicContact CG1-CB 4.18Å; D664-H666 VanDerWaalsContact C-N 3.29Å; D664-H666 PolarHBondContact O-N 3.46Å
665	S	69.9	Low	79.5	Confident	40 Å²	40	45 Å²	45	28%	0.28	23%	0.229	S	C	.	.	S	Bend	trans	-63.4	-32.8	178.7	60.7	0	0	0	0	113.3	D663	D663-S665 WeakPolarHBondContact OD1-CB 3.43Å; D663-S665 PolarHBondContact OD1-N 2.92Å; D663-S665 PolarHBondContact OD1-OG 3.3Å; D663-S665 PolarHBondContact OD2-OG 2.83Å
666	H	57.2	Low	80.2	Confident	136 Å²	136	47 Å²	47	63%	0.63	23%	0.234	S	C	*	.	S	Bend	trans	-142.4	162.1	-173.5	-64.5	-28.4	0	0	0	111.7	D664 N668	D664-H666 VanDerWaalsContact C-N 3.29Å; D664-H666 PolarHBondContact O-N 3.46Å; H666-N668 CarbonylContact O-C 3.53Å; H666-N668 PolarHBondContact O-N 2.91Å
667	Q	53.8	Low	80.2	Confident	174 Å²	174	44.5 Å²	44.5	81%	0.813	22%	0.218	S	C	*	.	S	Bend	trans	-60.2	-14.4	-174	-66	-179.3	-2.3	0	0	115.3
668	N	50.9	Low	79.8	Confident	97 Å²	97	46.3 Å²	46.3	52%	0.519	23%	0.228	S	C	.	.	S	Bend	trans	-98.5	99.3	167.7	-72.6	-14.9	0	0	0	109.4	H666 N670	H666-N668 CarbonylContact O-C 3.53Å; H666-N668 PolarHBondContact O-N 2.91Å; N668-N670 PolarHBondContact O-N 2.96Å
669	T	66.2	Low	79.1	Confident	41 Å²	41	44.7 Å²	44.7	25%	0.252	22%	0.22	S	C	.	.			trans	-66.4	92.4	-179.7	45.3	0	0	0	0	111.7	R297 D663	R297-T669 PolarHBondContact NH1-OG1 2.71Å; D663-T669 WeakPolarHBondContact O-CA 3.22Å
670	N	77.4	Confident	77.9	Confident	58 Å²	58	46.3 Å²	46.3	31%	0.31	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	128.7	-178.2	-71.8	-52.3	0	0	0	111.2	F662 D663 N668 L672	F662-N670 CarbonylContact C-O 3.56Å; F662-N670 WeakPolarHBondContact CA-O 3.41Å; D663-N670 HydrophobicContact CB-CB 4.31Å; D663-N670 PolarHBondContact N-O 2.72Å; N668-N670 PolarHBondContact O-N 2.96Å; N670-L672 PolarHBondContact O-N 3.45Å
671	L	83.8	Confident	76.7	Confident	31 Å²	31	50.1 Å²	50.1	16%	0.162	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	123.9	170.5	-176.9	69.1	0	0	0	110.3	E660 F662 R674	E660-L671 HydrophobicContact CB-CD1 4.09Å; F662-L671 HydrophobicContact CD1-CB 4.16Å; F662-L671 HydrophobicContact CD1-CD1 4.2Å; F662-L671 HydrophobicContact CE1-CB 4.05Å; F662-L671 HydrophobicContact CE1-CD1 3.86Å; F662-L671 HydrophobicContact CE2-CD1 4.23Å; F662-L671 HydrophobicContact CZ-CD1 3.88Å; L671-R674 HydrophobicContact CD1-CG 4.33Å; L671-R674 HydrophobicContact CD2-CG 4.14Å
672	L	82.7	Confident	75.9	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.047	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-24.9	177.3	-63.3	174.4	0	0	0	112.5	L570 V572 P615 P617 V661 D663 N670 N694	L570-L672 HydrophobicContact CD1-CD1 4.21Å; V572-L672 HydrophobicContact CB-CD2 4.49Å; V572-L672 HydrophobicContact CG2-CD2 4.1Å; P615-L672 HydrophobicContact CB-CD1 3.95Å; P615-L672 HydrophobicContact CB-CD2 4.27Å; P615-L672 HydrophobicContact CG-CD1 4.26Å; P617-L672 HydrophobicContact CB-CD1 3.88Å; V661-L672 HydrophobicContact CG1-CB 4.46Å; V661-L672 HydrophobicContact CG1-CD1 4.28Å; V661-L672 WeakPolarHBondContact O-CB 3.46Å; V661-L672 PolarHBondContact O-N 3.5Å; D663-L672 HydrophobicContact CB-CD1 4.03Å; D663-L672 HydrophobicContact CB-CD2 4.12Å; D663-L672 HydrophobicContact CB-CG 4.07Å; N670-L672 PolarHBondContact O-N 3.45Å; L672-N694 PolarHBondContact O-ND2 2.83Å
673	G	85.1	Confident	75.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	166.6	172.5	0	0	0	0	0	114.3	V661 N694 D696	V661-G673 PolarHBondContact N-O 2.68Å; V661-G673 PolarHBondContact O-N 2.67Å; G673-N694 WeakPolarHBondContact CA-ND2 3.46Å; G673-N694 WeakPolarHBondContact CA-OD1 3.43Å; G673-D696 WeakPolarHBondContact CA-OD2 3.3Å
674	R	88.4	Confident	75.1	Confident	65 Å²	65	48.7 Å²	48.7	25%	0.245	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.1	174.3	-68.6	-177.2	169.4	146.4	-1.2	111	C659 E660 L671 Y676 N694 Q695 D696	C659-R674 WeakPolarHBondContact O-CA 3.38Å; E660-R674 HydrophobicContact CG-CG 4.27Å; E660-R674 IonicContact OE1-CZ 3.48Å; E660-R674 VanDerWaalsContact OE1-CZ 3.25Å; E660-R674 IonicContact OE1-NE 3.38Å; E660-R674 PolarHBondContact OE1-NE 2.87Å; E660-R674 IonicContact OE1-NH2 3.95Å; E660-R674 PolarHBondContact OE1-NH2 3.47Å; L671-R674 HydrophobicContact CD1-CG 4.33Å; L671-R674 HydrophobicContact CD2-CG 4.14Å; R674-Y676 HydrophobicContact CB-CE2 3.88Å; R674-N694 PolarHBondContact N-OD1 3.11Å; R674-N694 WeakPolarHBondContact O-CA 3.41Å; R674-N694 PolarHBondContact O-OD1 3.04Å; R674-Q695 PolarHBondContact O-N 2.92Å; R674-D696 WeakPolarHBondContact CD-OD1 3.18Å; R674-D696 PolarHBondContact N-OD2 3.39Å; R674-D696 IonicContact NH1-OD1 3.64Å
675	F	89.4	Confident	75.3	Confident	1 Å²	1	45.1 Å²	45.1	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.3	-179.8	-48.9	-90.5	0	0	0	109	L570 C659 V661 L692 N693 N694 I703	L570-F675 HydrophobicContact CD2-CZ 4.31Å; C659-F675 HydrophobicContact CB-CB 4.34Å; C659-F675 PolarHBondContact N-O 3.39Å; C659-F675 PolarHBondContact O-N 2.87Å; V661-F675 HydrophobicContact CG2-CD2 4.26Å; V661-F675 HydrophobicContact CG2-CE2 3.86Å; F675-L692 HydrophobicContact CB-CB 4.15Å; F675-L692 HydrophobicContact CB-CD1 4.12Å; F675-L692 HydrophobicContact CD1-CB 4.27Å; F675-L692 WeakPolarHBondContact CD1-O 3.37Å; F675-N693 WeakPolarHBondContact CD1-O 3.45Å; F675-N694 HydrophobicContact CD1-CB 4.42Å; F675-N694 HydrophobicContact CE1-CB 3.73Å; F675-N694 HydrophobicContact CZ-CB 4.08Å; F675-I703 HydrophobicContact CB-CG2 3.69Å; F675-I703 HydrophobicContact CD1-CB 3.98Å; F675-I703 HydrophobicContact CD1-CG2 3.4Å; F675-I703 HydrophobicContact CD2-CB 4.16Å; F675-I703 HydrophobicContact CD2-CD1 3.96Å; F675-I703 HydrophobicContact CD2-CG2 3.88Å; F675-I703 HydrophobicContact CE1-CB 3.98Å; F675-I703 HydrophobicContact CE1-CG2 3.92Å; F675-I703 HydrophobicContact CE2-CB 4.19Å; F675-I703 HydrophobicContact CE2-CD1 4.16Å; F675-I703 HydrophobicContact CE2-CG2 4.37Å; F675-I703 HydrophobicContact CG-CB 4.07Å; F675-I703 HydrophobicContact CG-CG2 3.37Å; F675-I703 HydrophobicContact CZ-CB 4.09Å; F675-I703 HydrophobicContact CZ-CG2 4.39Å
676	Y	88	Confident	76	Confident	78 Å²	78	43.4 Å²	43.4	31%	0.306	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	139.9	-177.3	-64.4	-92.9	0	0	0	110.6	V656 L657 Q658 R674 Q695	V656-Y676 HydrophobicContact CG1-CD1 4.06Å; L657-Y676 VanDerWaalsContact O-CA 3.29Å; L657-Y676 WeakPolarHBondContact O-CA 3.44Å; Q658-Y676 HydrophobicContact CB-CD1 4.16Å; Q658-Y676 HydrophobicContact CB-CE1 3.93Å; Q658-Y676 HydrophobicContact CG-CD1 4.24Å; Q658-Y676 HydrophobicContact CG-CE1 3.62Å; Q658-Y676 PolarHBondContact NE2-OH 3.42Å; R674-Y676 HydrophobicContact CB-CE2 3.88Å; Y676-Q695 HydrophobicContact CD2-CB 4.36Å
677	L	85.9	Confident	77.5	Confident	10 Å²	10	37.2 Å²	37.2	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	113.3	175.2	168.2	64.3	0	0	0	109.6	V656 L657 F679 F690 L692 A707	V656-L677 CarbonylContact C-O 3.54Å; V656-L677 WeakPolarHBondContact CA-O 3.28Å; L657-L677 HydrophobicContact CB-CB 4.1Å; L657-L677 HydrophobicContact CD2-CD2 4.48Å; L657-L677 PolarHBondContact N-O 3.02Å; L657-L677 PolarHBondContact O-N 3.46Å; L677-F679 HydrophobicContact CD2-CE1 4.44Å; L677-F679 HydrophobicContact CG-CD1 4.43Å; L677-F679 HydrophobicContact CG-CE1 4.37Å; L677-F690 HydrophobicContact CD1-CD1 3.71Å; L677-F690 HydrophobicContact CD1-CD2 4.11Å; L677-F690 HydrophobicContact CD1-CE1 3.82Å; L677-F690 HydrophobicContact CD1-CE2 4.2Å; L677-F690 HydrophobicContact CD1-CG 3.86Å; L677-F690 HydrophobicContact CD1-CZ 4.07Å; L677-F690 HydrophobicContact CD2-CB 4.35Å; L677-F690 HydrophobicContact CD2-CD2 3.6Å; L677-F690 HydrophobicContact CD2-CE2 4.01Å; L677-F690 HydrophobicContact CD2-CG 3.93Å; L677-L692 HydrophobicContact CB-CD1 3.85Å; L677-L692 HydrophobicContact CB-CD2 4.18Å; L677-L692 HydrophobicContact CD1-CD2 4.36Å; L677-A707 HydrophobicContact CD2-CB 4.39Å
678	D	81.2	Confident	78.8	Confident	39 Å²	39	29.7 Å²	29.7	21%	0.209	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.4	173.4	174.3	23	0	0	0	110.8	V656 S680	V656-D678 HydrophobicContact CG2-CB 4.38Å; D678-S680 VanDerWaalsContact C-N 3.27Å; D678-S680 PolarHBondContact O-N 3.21Å; D678-S680 VanDerWaalsContact OD1-CB 3.24Å; D678-S680 WeakPolarHBondContact OD1-CB 3.16Å; D678-S680 PolarHBondContact OD1-N 3.08Å; D678-S680 PolarHBondContact OD1-OG 2.79Å; D678-S680 WeakPolarHBondContact OD2-CB 3.32Å; D678-S680 PolarHBondContact OD2-OG 3.27Å
679	F	77.2	Confident	80.3	Confident	10 Å²	10	25.3 Å²	25.3	4%	0.044	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-78.7	-11.1	178.5	-49.3	-45.4	0	0	0	113.4	L560 V623 T655 L657 L677 K681 I682 M709	L560-F679 HydrophobicContact CD1-CD1 3.88Å; L560-F679 HydrophobicContact CD1-CE1 3.89Å; L560-F679 HydrophobicContact CD1-CG 4.32Å; L560-F679 HydrophobicContact CD1-CZ 4.36Å; L560-F679 HydrophobicContact CD2-CD1 4.17Å; L560-F679 HydrophobicContact CD2-CD2 4.33Å; L560-F679 HydrophobicContact CD2-CE1 3.43Å; L560-F679 VanDerWaalsContact CD2-CE1 3.43Å; L560-F679 HydrophobicContact CD2-CE2 3.65Å; L560-F679 HydrophobicContact CD2-CZ 3.13Å; L560-F679 HydrophobicContact CG-CE1 4.31Å; L560-F679 HydrophobicContact CG-CZ 4.35Å; V623-F679 HydrophobicContact CB-CE2 4.49Å; V623-F679 HydrophobicContact CG1-CE2 3.75Å; V623-F679 HydrophobicContact CG1-CZ 4.43Å; V623-F679 HydrophobicContact CG2-CE2 3.9Å; V623-F679 HydrophobicContact CG2-CZ 3.73Å; T655-F679 WeakPolarHBondContact O-CD2 3.07Å; T655-F679 WeakPolarHBondContact O-CG 3.32Å; T655-F679 PolarHBondContact O-N 3.2Å; L657-F679 HydrophobicContact CB-CE1 3.7Å; L657-F679 HydrophobicContact CB-CZ 3.5Å; L657-F679 VanDerWaalsContact CB-CZ 3.5Å; L657-F679 HydrophobicContact CD1-CZ 4.34Å; L657-F679 HydrophobicContact CG-CZ 4.44Å; L657-F679 VanDerWaalsContact N-CZ 3.3Å; L677-F679 HydrophobicContact CD2-CE1 4.44Å; L677-F679 HydrophobicContact CG-CD1 4.43Å; L677-F679 HydrophobicContact CG-CE1 4.37Å; F679-K681 PolarHBondContact O-N 3.14Å; F679-I682 HydrophobicContact CB-CD1 4.4Å; F679-I682 HydrophobicContact CD1-CD1 3.67Å; F679-I682 HydrophobicContact CG-CD1 4.46Å; F679-I682 PolarHBondContact O-N 3.2Å; F679-M709 HydrophobicContact CB-CE 3.92Å; F679-M709 HydrophobicContact CD2-CE 4.45Å; F679-M709 HydrophobicContact CG-CE 4.21Å
680	S	65.8	Low	81.2	Confident	34 Å²	34	24.1 Å²	24.1	24%	0.238	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-64	-7.6	175	-38.8	0	0	0	0	113	N546 R654 D678	N546-S680 PolarHBondContact ND2-O 3.08Å; R654-S680 WeakPolarHBondContact CG-OG 3.4Å; D678-S680 VanDerWaalsContact C-N 3.27Å; D678-S680 PolarHBondContact O-N 3.21Å; D678-S680 VanDerWaalsContact OD1-CB 3.24Å; D678-S680 WeakPolarHBondContact OD1-CB 3.16Å; D678-S680 PolarHBondContact OD1-N 3.08Å; D678-S680 PolarHBondContact OD1-OG 2.79Å; D678-S680 WeakPolarHBondContact OD2-CB 3.32Å; D678-S680 PolarHBondContact OD2-OG 3.27Å
681	K	64.4	Low	81.5	Confident	102 Å²	102	23.8 Å²	23.8	44%	0.443	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-115.6	23.4	172.5	-53.4	-173.8	-172.8	-175.4	0	112.8	T502 Y543 F679	T502-K681 PolarHBondContact OG1-NZ 2.86Å; Y543-K681 VanDerWaalsContact CE1-O 3.28Å; Y543-K681 WeakPolarHBondContact CE1-O 3.38Å; F679-K681 PolarHBondContact O-N 3.14Å
682	I	74.1	Confident	81.6	Confident	5 Å²	5	22.7 Å²	22.7	3%	0.026	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-103.3	126.9	172.8	-65.7	-174.2	0	0	0	110.6	L560 F679 F690 A707 M709	L560-I682 HydrophobicContact CD1-CD1 4.25Å; F679-I682 HydrophobicContact CB-CD1 4.4Å; F679-I682 HydrophobicContact CD1-CD1 3.67Å; F679-I682 HydrophobicContact CG-CD1 4.46Å; F679-I682 PolarHBondContact O-N 3.2Å; I682-F690 HydrophobicContact CD1-CE2 3.99Å; I682-F690 HydrophobicContact CD1-CZ 4.29Å; I682-F690 HydrophobicContact CG1-CE2 4.08Å; I682-F690 HydrophobicContact CG1-CZ 3.88Å; I682-A707 HydrophobicContact CD1-CB 3.93Å; I682-M709 HydrophobicContact CG2-CB 3.88Å
683	V	75.8	Confident	81.7	Confident	5 Å²	5	25.6 Å²	25.6	3%	0.03	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-74.7	136	171.2	164.2	0	0	0	0	110	L524 I539 Y543 W686	L524-V683 HydrophobicContact CD2-CG1 3.32Å; I539-V683 HydrophobicContact CG2-CG1 4.39Å; I539-V683 HydrophobicContact CG2-CG2 3.72Å; Y543-V683 HydrophobicContact CD1-CG2 4.35Å; Y543-V683 HydrophobicContact CE1-CG2 3.53Å; Y543-V683 HydrophobicContact CE2-CG2 4.47Å; V683-W686 HydrophobicContact CB-CB 4.34Å; V683-W686 HydrophobicContact CG1-CB 3.95Å
684	L	80.4	Confident	81.6	Confident	5 Å²	5	26.5 Å²	26.5	3%	0.026	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-61.7	148.1	-179.1	-69.4	-177.4	0	0	0	113.2	L524 Y527 M551 F555 W686 M709 L712	L524-L684 VanDerWaalsContact CD2-O 3.3Å; L524-L684 WeakPolarHBondContact CD2-O 3.49Å; Y527-L684 HydrophobicContact CE2-CB 4.16Å; Y527-L684 HydrophobicContact CE2-CD1 4.08Å; Y527-L684 HydrophobicContact CE2-CG 4.01Å; M551-L684 HydrophobicContact CE-CD1 3.23Å; M551-L684 HydrophobicContact CE-CG 4.12Å; F555-L684 HydrophobicContact CE2-CD1 4.04Å; L684-W686 PolarHBondContact O-N 3.32Å; L684-M709 HydrophobicContact CD2-CB 4.2Å; L684-M709 HydrophobicContact CD2-CG 3.81Å; L684-L712 HydrophobicContact CB-CD1 4.2Å; L684-L712 HydrophobicContact CD1-CD1 3.6Å; L684-L712 HydrophobicContact CD1-CD2 4.27Å; L684-L712 HydrophobicContact CD2-CD1 4.04Å; L684-L712 HydrophobicContact CD2-CD2 3.89Å; L684-L712 HydrophobicContact CD2-CG 4.46Å; L684-L712 HydrophobicContact CG-CD1 4.16Å
685	D	84.3	Confident	81	Confident	7 Å²	7	26.5 Å²	26.5	4%	0.037	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	20.5	-180	-67.5	-45.6	0	0	0	114.6	M709 T710 V804 F821	D685-M709 WeakPolarHBondContact CA-O 3.46Å; D685-M709 PolarHBondContact N-O 2.88Å; D685-T710 VanDerWaalsContact OD1-CA 3.24Å; D685-T710 WeakPolarHBondContact OD1-CA 3.43Å; D685-T710 WeakPolarHBondContact OD1-CB 3.3Å; D685-T710 PolarHBondContact OD1-OG1 2.93Å; D685-V804 HydrophobicContact CB-CG1 4.43Å; D685-V804 WeakPolarHBondContact O-CG1 3.23Å; D685-F821 HydrophobicContact CB-CD1 4.06Å; D685-F821 HydrophobicContact CB-CE1 4.31Å
686	W	84.4	Confident	80	Confident	5 Å²	5	28.4 Å²	28.4	2%	0.019	14%	0.14	C	C	.	.			trans	-117.8	129.2	179.5	-160.9	-84.7	0	0	0	112.9	Q511 P512 W514 Y519 V683 L684 T688 P824	Q511-W686 HydrophobicContact CB-CZ2 4.34Å; Q511-W686 HydrophobicContact CG-CD2 4.33Å; Q511-W686 HydrophobicContact CG-CZ2 3.9Å; Q511-W686 VanDerWaalsContact NE2-CD1 3.35Å; Q511-W686 VanDerWaalsContact NE2-CG 3.27Å; P512-W686 HydrophobicContact CG-CH2 4.45Å; W514-W686 HydrophobicContact CH2-CH2 4.46Å; W514-W686 AromaticContact CZ3-CH2 3.9Å; W514-W686 HydrophobicContact CZ3-CH2 3.9Å; W514-W686 HydrophobicContact CZ3-CZ3 4.15Å; Y519-W686 HydrophobicContact CE1-CZ3 4.13Å; V683-W686 HydrophobicContact CB-CB 4.34Å; V683-W686 HydrophobicContact CG1-CB 3.95Å; L684-W686 PolarHBondContact O-N 3.32Å; W686-T688 PolarHBondContact O-N 3.49Å; W686-P824 HydrophobicContact CH2-CG 3.38Å; W686-P824 HydrophobicContact CZ2-CG 3.5Å; W686-P824 VanDerWaalsContact CZ2-CG 3.5Å; W686-P824 HydrophobicContact CZ3-CG 4.47Å
687	T	87.5	Confident	78.5	Confident	6 Å²	6	28.1 Å²	28.1	4%	0.037	16%	0.16	C	C	.	.			trans	-84.6	112.5	173.6	-48.5	0	0	0	0	110.7	L706 A707 T708 R802 V803	T687-L706 HydrophobicContact CG2-CB 4.25Å; T687-L706 HydrophobicContact CG2-CD2 3.96Å; T687-A707 WeakPolarHBondContact CA-O 3.47Å; T687-T708 WeakPolarHBondContact CB-OG1 3.49Å; T687-T708 PolarHBondContact OG1-OG1 3.39Å; T687-R802 WeakPolarHBondContact OG1-CA 3.48Å; T687-V803 PolarHBondContact OG1-N 2.83Å; T687-V803 PolarHBondContact OG1-O 2.7Å
688	T	82.6	Confident	76.8	Confident	15 Å²	15	39 Å²	39	9%	0.092	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.5	177.7	-53.8	0	0	0	0	110.3	W686 F690 L706 A707	W686-T688 PolarHBondContact O-N 3.49Å; T688-F690 HydrophobicContact CG2-CD1 4.42Å; T688-F690 HydrophobicContact CG2-CD2 4.26Å; T688-F690 HydrophobicContact CG2-CE1 3.87Å; T688-F690 HydrophobicContact CG2-CE2 3.71Å; T688-F690 HydrophobicContact CG2-CZ 3.47Å; T688-F690 VanDerWaalsContact CG2-CZ 3.47Å; T688-L706 WeakPolarHBondContact O-CA 3.29Å; T688-A707 PolarHBondContact N-O 3.2Å; T688-A707 PolarHBondContact O-N 3.1Å
689	C	82.2	Confident	75.6	Confident	5 Å²	5	38.8 Å²	38.8	3%	0.034	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	112.5	173.7	-169.7	0	0	0	0	110.2	S507 L508 L509 I705 L706	S507-C689 WeakPolarHBondContact CA-O 3.29Å; L508-C689 HydrophobicContact CB-CB 4.39Å; L509-C689 HydrophobicContact CB-CB 4.35Å; C689-I705 CarbonylContact C-O 3.6Å; C689-L706 HydrophobicContact CB-CD2 3.62Å
690	F	83.9	Confident	75.1	Confident	17 Å²	17	44.6 Å²	44.6	8%	0.075	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.6	178.6	-64.1	-79.7	0	0	0	111.1	N505 L677 I682 T688 L692 I705 A707	N505-F690 HydrophobicContact CB-CD1 4.42Å; L677-F690 HydrophobicContact CD1-CD1 3.71Å; L677-F690 HydrophobicContact CD1-CD2 4.11Å; L677-F690 HydrophobicContact CD1-CE1 3.82Å; L677-F690 HydrophobicContact CD1-CE2 4.2Å; L677-F690 HydrophobicContact CD1-CG 3.86Å; L677-F690 HydrophobicContact CD1-CZ 4.07Å; L677-F690 HydrophobicContact CD2-CB 4.35Å; L677-F690 HydrophobicContact CD2-CD2 3.6Å; L677-F690 HydrophobicContact CD2-CE2 4.01Å; L677-F690 HydrophobicContact CD2-CG 3.93Å; I682-F690 HydrophobicContact CD1-CE2 3.99Å; I682-F690 HydrophobicContact CD1-CZ 4.29Å; I682-F690 HydrophobicContact CG1-CE2 4.08Å; I682-F690 HydrophobicContact CG1-CZ 3.88Å; T688-F690 HydrophobicContact CG2-CD1 4.42Å; T688-F690 HydrophobicContact CG2-CD2 4.26Å; T688-F690 HydrophobicContact CG2-CE1 3.87Å; T688-F690 HydrophobicContact CG2-CE2 3.71Å; T688-F690 HydrophobicContact CG2-CZ 3.47Å; T688-F690 VanDerWaalsContact CG2-CZ 3.47Å; F690-L692 HydrophobicContact CB-CD2 4.02Å; F690-L692 HydrophobicContact CB-CG 4.37Å; F690-I705 PolarHBondContact N-O 3.04Å; F690-I705 PolarHBondContact O-N 3.33Å; F690-A707 HydrophobicContact CD2-CB 4.25Å; F690-A707 HydrophobicContact CE2-CB 4.13Å
691	K	84.3	Confident	75.6	Confident	50 Å²	50	43.6 Å²	43.6	22%	0.217	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	96.6	170.9	-179.4	-155.2	167.2	167.7	0	108.2	N505 E702 I703	N505-K691 PolarHBondContact OD1-O 2.9Å; K691-E702 WeakPolarHBondContact CE-OE2 3.32Å; K691-E702 HydrophobicContact CG-CB 4.45Å; K691-E702 IonicContact NZ-OE1 2.67Å; K691-E702 IonicContact NZ-OE2 3.2Å; K691-E702 PolarHBondContact NZ-OE2 3.03Å; K691-I703 WeakPolarHBondContact CA-O 3.33Å
692	L	85.5	Confident	76.6	Confident	9 Å²	9	40.3 Å²	40.3	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.9	-176.7	-44.1	170.3	0	0	0	110.5	F675 L677 F690 E702 I703 I705	F675-L692 HydrophobicContact CB-CB 4.15Å; F675-L692 HydrophobicContact CB-CD1 4.12Å; F675-L692 HydrophobicContact CD1-CB 4.27Å; F675-L692 WeakPolarHBondContact CD1-O 3.37Å; L677-L692 HydrophobicContact CB-CD1 3.85Å; L677-L692 HydrophobicContact CB-CD2 4.18Å; L677-L692 HydrophobicContact CD1-CD2 4.36Å; F690-L692 HydrophobicContact CB-CD2 4.02Å; F690-L692 HydrophobicContact CB-CG 4.37Å; L692-E702 WeakPolarHBondContact O-CA 3.14Å; L692-I703 HydrophobicContact CB-CG2 3.8Å; L692-I703 HydrophobicContact CD1-CG2 4.16Å; L692-I703 HydrophobicContact CG-CG2 4.28Å; L692-I703 PolarHBondContact N-O 3.2Å; L692-I703 PolarHBondContact O-N 3.22Å; L692-I705 HydrophobicContact CD1-CD1 4.03Å
693	N	85.3	Confident	77.3	Confident	69 Å²	69	40.1 Å²	40.1	37%	0.369	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	151.7	173.7	-67.1	-22.7	0	0	0	110.6	E503 F675 Q695	E503-N693 PolarHBondContact OE2-ND2 3.28Å; F675-N693 WeakPolarHBondContact CD1-O 3.45Å; N693-Q695 PolarHBondContact O-N 2.98Å
694	N	83.9	Confident	77.9	Confident	19 Å²	19	41.2 Å²	41.2	10%	0.102	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-69.6	121.4	179.9	-177	2.8	0	0	0	111.6	L672 G673 R674 F675 D696 G701	L672-N694 PolarHBondContact O-ND2 2.83Å; G673-N694 WeakPolarHBondContact CA-ND2 3.46Å; G673-N694 WeakPolarHBondContact CA-OD1 3.43Å; R674-N694 PolarHBondContact N-OD1 3.11Å; R674-N694 WeakPolarHBondContact O-CA 3.41Å; R674-N694 PolarHBondContact O-OD1 3.04Å; F675-N694 HydrophobicContact CD1-CB 4.42Å; F675-N694 HydrophobicContact CE1-CB 3.73Å; F675-N694 HydrophobicContact CZ-CB 4.08Å; N694-D696 PolarHBondContact OD1-N 3.32Å; N694-G701 PolarHBondContact N-O 3.46Å; N694-G701 VanDerWaalsContact N-O 3.07Å
695	Q	75.8	Confident	78.3	Confident	65 Å²	65	41 Å²	41	30%	0.304	22%	0.218	S	C	.	.			trans	-93.4	5	-174.7	-67.4	-173.2	-12.7	0	0	114.7	W501 R674 Y676 N693 G697	W501-Q695 PolarHBondContact O-NE2 2.8Å; R674-Q695 PolarHBondContact O-N 2.92Å; Y676-Q695 HydrophobicContact CD2-CB 4.36Å; N693-Q695 PolarHBondContact O-N 2.98Å; Q695-G697 PolarHBondContact O-N 3.38Å
696	D	68.5	Low	78.6	Confident	42 Å²	42	40.9 Å²	40.9	23%	0.225	22%	0.218	C	C	.	.	S	Bend	trans	-69	14.8	172.9	-81.4	-38.2	0	0	0	114.3	G673 R674 N694 R698	G673-D696 WeakPolarHBondContact CA-OD2 3.3Å; R674-D696 WeakPolarHBondContact CD-OD1 3.18Å; R674-D696 PolarHBondContact N-OD2 3.39Å; R674-D696 IonicContact NH1-OD1 3.64Å; N694-D696 PolarHBondContact OD1-N 3.32Å; D696-R698 PolarHBondContact O-N 2.63Å
697	G	55.4	Low	78.8	Confident	71 Å²	71	40.7 Å²	40.7	73%	0.732	22%	0.217	S	C	*	.	S	Bend	trans	68.2	-11.7	166.1	0	0	0	0	0	117.9	Q695	Q695-G697 PolarHBondContact O-N 3.38Å
698	R	50.1	Low	79	Confident	239 Å²	239	40.4 Å²	40.4	90%	0.902	22%	0.215	S	C	*	.	S	Bend	trans	-144	19.9	-178.1	-52	-174.4	-158.7	-152.7	1.9	113.7	D696	D696-R698 PolarHBondContact O-N 2.63Å
699	G	55.3	Low	79.2	Confident	34 Å²	34	40.2 Å²	40.2	35%	0.351	21%	0.213	S	C	.	.			trans	-129.6	128.5	-173.3	0	0	0	0	0	112.6
700	H	67.3	Low	79.6	Confident	132 Å²	132	40 Å²	40	61%	0.611	21%	0.212	S	C	*	.			trans	-77.2	138.7	167.3	-50.3	-84.2	0	0	0	109.9
701	G	76	Confident	79.6	Confident	13 Å²	13	39.4 Å²	39.4	13%	0.134	21%	0.21	C	C	.	.			trans	166	139.7	174.4	0	0	0	0	0	110.7	K568 N694	K568-G701 WeakPolarHBondContact O-CA 3.46Å; N694-G701 PolarHBondContact N-O 3.46Å; N694-G701 VanDerWaalsContact N-O 3.07Å
702	E	86.1	Confident	79.6	Confident	34 Å²	34	37.2 Å²	37.2	16%	0.159	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.9	174.1	59.9	177.7	-119	0	0	109.7	A567 K568 K691 L692 H704	A567-E702 CarbonylContact C-O 3.6Å; A567-E702 WeakPolarHBondContact CA-O 3.49Å; A567-E702 WeakPolarHBondContact CB-O 3.42Å; K568-E702 HydrophobicContact CB-CG 3.76Å; K568-E702 HydrophobicContact CD-CG 4.03Å; K568-E702 WeakPolarHBondContact CD-OE1 3.25Å; K568-E702 HydrophobicContact CG-CG 4.5Å; K568-E702 PolarHBondContact N-O 3.31Å; K568-E702 IonicContact NZ-OE1 3.57Å; K568-E702 PolarHBondContact NZ-OE1 3.33Å; K568-E702 PolarHBondContact O-N 2.94Å; K568-E702 VanDerWaalsContact O-N 3.13Å; K691-E702 WeakPolarHBondContact CE-OE2 3.32Å; K691-E702 HydrophobicContact CG-CB 4.45Å; K691-E702 IonicContact NZ-OE1 2.67Å; K691-E702 IonicContact NZ-OE2 3.2Å; K691-E702 PolarHBondContact NZ-OE2 3.03Å; L692-E702 WeakPolarHBondContact O-CA 3.14Å; E702-H704 WeakPolarHBondContact CG-NE2 3.22Å; E702-H704 IonicContact OE1-CD2 3.6Å; E702-H704 IonicContact OE1-CE1 3.97Å; E702-H704 CovalentContact OE1-NE2 1.78Å; E702-H704 IonicContact OE1-NE2 2.71Å; E702-H704 PolarHBondContact OE1-NE2 3.1Å; E702-H704 IonicContact OE2-NE2 2.7Å
703	I	88.8	Confident	79.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.8	174.9	-160	167.3	0	0	0	110	L564 G566 A567 W641 V661 F675 K691 L692 I705	L564-I703 HydrophobicContact CD1-CD1 3.71Å; L564-I703 HydrophobicContact CD1-CG1 3.81Å; G566-I703 WeakPolarHBondContact O-CG1 3.36Å; A567-I703 HydrophobicContact CB-CB 4.37Å; A567-I703 HydrophobicContact CB-CG1 4.13Å; W641-I703 HydrophobicContact CZ3-CD1 4.48Å; V661-I703 HydrophobicContact CG2-CD1 4.01Å; F675-I703 HydrophobicContact CB-CG2 3.69Å; F675-I703 HydrophobicContact CD1-CB 3.98Å; F675-I703 HydrophobicContact CD1-CG2 3.4Å; F675-I703 HydrophobicContact CD2-CB 4.16Å; F675-I703 HydrophobicContact CD2-CD1 3.96Å; F675-I703 HydrophobicContact CD2-CG2 3.88Å; F675-I703 HydrophobicContact CE1-CB 3.98Å; F675-I703 HydrophobicContact CE1-CG2 3.92Å; F675-I703 HydrophobicContact CE2-CB 4.19Å; F675-I703 HydrophobicContact CE2-CD1 4.16Å; F675-I703 HydrophobicContact CE2-CG2 4.37Å; F675-I703 HydrophobicContact CG-CB 4.07Å; F675-I703 HydrophobicContact CG-CG2 3.37Å; F675-I703 HydrophobicContact CZ-CB 4.09Å; F675-I703 HydrophobicContact CZ-CG2 4.39Å; K691-I703 WeakPolarHBondContact CA-O 3.33Å; L692-I703 HydrophobicContact CB-CG2 3.8Å; L692-I703 HydrophobicContact CD1-CG2 4.16Å; L692-I703 HydrophobicContact CG-CG2 4.28Å; L692-I703 PolarHBondContact N-O 3.2Å; L692-I703 PolarHBondContact O-N 3.22Å; I703-I705 HydrophobicContact CD1-CD1 4.44Å; I703-I705 HydrophobicContact CG1-CD1 4.47Å; I703-I705 HydrophobicContact CG1-CG1 4.33Å; I703-I705 HydrophobicContact CG2-CD1 4.17Å; I703-I705 HydrophobicContact CG2-CG1 4.45Å
704	H	88	Confident	78.6	Confident	29 Å²	29	38 Å²	38	13%	0.134	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.3	-175.2	-73	-125.2	0	0	0	108.6	L508 V565 G566 E702	L508-H704 VanDerWaalsContact CD1-CE1 3.5Å; L508-H704 WeakPolarHBondContact CD1-CE1 3.07Å; V565-H704 HydrophobicContact CB-CB 4.24Å; V565-H704 WeakPolarHBondContact CB-O 3.4Å; V565-H704 PolarHBondContact N-O 2.89Å; G566-H704 PolarHBondContact N-O 3.11Å; G566-H704 PolarHBondContact O-N 3.22Å; E702-H704 WeakPolarHBondContact CG-NE2 3.22Å; E702-H704 IonicContact OE1-CD2 3.6Å; E702-H704 IonicContact OE1-CE1 3.97Å; E702-H704 CovalentContact OE1-NE2 1.78Å; E702-H704 IonicContact OE1-NE2 2.71Å; E702-H704 PolarHBondContact OE1-NE2 3.1Å; E702-H704 IonicContact OE2-NE2 2.7Å
705	I	89.4	Confident	78	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132	-174	-64.7	178.4	0	0	0	109.1	V562 L564 L657 C689 F690 L692 I703	V562-I705 HydrophobicContact CG1-CG2 3.54Å; L564-I705 HydrophobicContact CD1-CG1 4.08Å; L657-I705 HydrophobicContact CD2-CD1 3.98Å; L657-I705 HydrophobicContact CD2-CG2 4.42Å; C689-I705 CarbonylContact C-O 3.6Å; F690-I705 PolarHBondContact N-O 3.04Å; F690-I705 PolarHBondContact O-N 3.33Å; L692-I705 HydrophobicContact CD1-CD1 4.03Å; I703-I705 HydrophobicContact CD1-CD1 4.44Å; I703-I705 HydrophobicContact CG1-CD1 4.47Å; I703-I705 HydrophobicContact CG1-CG1 4.33Å; I703-I705 HydrophobicContact CG2-CD1 4.17Å; I703-I705 HydrophobicContact CG2-CG1 4.45Å
706	L	89.6	Confident	77	Confident	5 Å²	5	41.7 Å²	41.7	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.8	164.9	-71.7	158.5	0	0	0	108.6	L509 V562 T563 V565 T687 T688 C689 L905	L509-L706 HydrophobicContact CD1-CD2 3.95Å; V562-L706 CarbonylContact C-O 3.46Å; V562-L706 WeakPolarHBondContact CA-O 3.1Å; T563-L706 HydrophobicContact CG2-CD1 4.5Å; T563-L706 PolarHBondContact N-O 3Å; T563-L706 PolarHBondContact O-N 3.12Å; V565-L706 HydrophobicContact CG2-CD1 3.98Å; V565-L706 HydrophobicContact CG2-CG 4.22Å; T687-L706 HydrophobicContact CG2-CB 4.25Å; T687-L706 HydrophobicContact CG2-CD2 3.96Å; T688-L706 WeakPolarHBondContact O-CA 3.29Å; C689-L706 HydrophobicContact CB-CD2 3.62Å; L706-L905 HydrophobicContact CD1-CB 4.24Å; L706-L905 HydrophobicContact CD1-CD1 4Å
707	A	90.1	Very high	75.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139	174.2	0	0	0	0	0	112.1	L560 I561 L677 I682 T687 T688 F690	L560-A707 HydrophobicContact CD1-CB 4.47Å; I561-A707 VanDerWaalsContact O-CA 3.28Å; I561-A707 WeakPolarHBondContact O-CA 3.23Å; L677-A707 HydrophobicContact CD2-CB 4.39Å; I682-A707 HydrophobicContact CD1-CB 3.93Å; T687-A707 WeakPolarHBondContact CA-O 3.47Å; T688-A707 PolarHBondContact N-O 3.2Å; T688-A707 PolarHBondContact O-N 3.1Å; F690-A707 HydrophobicContact CD2-CB 4.25Å; F690-A707 HydrophobicContact CE2-CB 4.13Å
708	T	90	Very high	74.8	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.5	167.6	-43.5	0	0	0	0	108.7	L560 I561 T687 T710 V803	L560-T708 WeakPolarHBondContact CA-O 3.34Å; I561-T708 PolarHBondContact N-O 3.4Å; I561-T708 PolarHBondContact O-N 2.99Å; T687-T708 WeakPolarHBondContact CB-OG1 3.49Å; T687-T708 PolarHBondContact OG1-OG1 3.39Å; T708-T710 HydrophobicContact CG2-CG2 4.12Å; T708-V803 WeakPolarHBondContact CB-O 3.5Å; T708-V803 WeakPolarHBondContact CG2-O 3.28Å; T708-V803 PolarHBondContact OG1-O 3.21Å
709	M	88.4	Confident	73.9	Confident	10 Å²	10	38.9 Å²	38.9	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	117.2	163.1	-170	67.4	76.9	0	0	108.8	S558 L560 V649 F679 I682 L684 D685	S558-M709 PolarHBondContact OG-SD 3.06Å; L560-M709 HydrophobicContact CB-CE 4.27Å; L560-M709 HydrophobicContact CB-SD 4.11Å; L560-M709 HydrophobicContact CD1-CE 3.85Å; L560-M709 HydrophobicContact CD1-SD 4.37Å; V649-M709 HydrophobicContact CB-CE 4.34Å; V649-M709 HydrophobicContact CB-SD 4.37Å; V649-M709 HydrophobicContact CG1-CE 4.21Å; F679-M709 HydrophobicContact CB-CE 3.92Å; F679-M709 HydrophobicContact CD2-CE 4.45Å; F679-M709 HydrophobicContact CG-CE 4.21Å; I682-M709 HydrophobicContact CG2-CB 3.88Å; L684-M709 HydrophobicContact CD2-CB 4.2Å; L684-M709 HydrophobicContact CD2-CG 3.81Å; D685-M709 WeakPolarHBondContact CA-O 3.46Å; D685-M709 PolarHBondContact N-O 2.88Å
710	T	90.3	Very high	73	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	-176.2	-167.7	-171.4	0	0	0	0	112.5	R559 I561 D685 T708 R805	R559-T710 PolarHBondContact N-O 2.91Å; R559-T710 PolarHBondContact O-N 2.8Å; I561-T710 HydrophobicContact CD1-CG2 3.5Å; I561-T710 HydrophobicContact CG1-CG2 4.17Å; D685-T710 VanDerWaalsContact OD1-CA 3.24Å; D685-T710 WeakPolarHBondContact OD1-CA 3.43Å; D685-T710 WeakPolarHBondContact OD1-CB 3.3Å; D685-T710 PolarHBondContact OD1-OG1 2.93Å; T708-T710 HydrophobicContact CG2-CG2 4.12Å; T710-R805 HydrophobicContact CG2-CB 4.07Å; T710-R805 HydrophobicContact CG2-CG 4.3Å; T710-R805 PolarHBondContact OG1-N 2.91Å; T710-R805 PolarHBondContact OG1-O 3.17Å
711	G	83.4	Confident	71.1	Confident	5 Å²	5	39.8 Å²	39.8	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.7	40.9	177.5	0	0	0	0	0	113.2	S713 R805	G711-S713 PolarHBondContact O-N 3.5Å; G711-R805 WeakPolarHBondContact CA-O 3.41Å; G711-R805 PolarHBondContact N-O 3.37Å; G711-R805 VanDerWaalsContact N-O 3.13Å
712	L	83.8	Confident	68.8	Low	4 Å²	4	45.5 Å²	45.5	2%	0.021	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	116.4	-172.5	-67.5	157.6	0	0	0	111.9	F555 P651 L684 P714	F555-L712 HydrophobicContact CB-CD2 4.28Å; F555-L712 HydrophobicContact CD1-CB 3.75Å; F555-L712 HydrophobicContact CD1-CD2 4.29Å; F555-L712 HydrophobicContact CD2-CD2 4.05Å; F555-L712 HydrophobicContact CE1-CB 3.79Å; F555-L712 HydrophobicContact CE1-CD1 4.44Å; F555-L712 HydrophobicContact CE2-CD1 4.4Å; F555-L712 HydrophobicContact CE2-CD2 4.41Å; F555-L712 HydrophobicContact CG-CB 4.29Å; F555-L712 HydrophobicContact CG-CD2 3.96Å; F555-L712 HydrophobicContact CZ-CB 4.36Å; F555-L712 HydrophobicContact CZ-CD1 4.18Å; P651-L712 HydrophobicContact CG-CD2 4.29Å; L684-L712 HydrophobicContact CB-CD1 4.2Å; L684-L712 HydrophobicContact CD1-CD1 3.6Å; L684-L712 HydrophobicContact CD1-CD2 4.27Å; L684-L712 HydrophobicContact CD2-CD1 4.04Å; L684-L712 HydrophobicContact CD2-CD2 3.89Å; L684-L712 HydrophobicContact CD2-CG 4.46Å; L684-L712 HydrophobicContact CG-CD1 4.16Å; L712-P714 WeakPolarHBondContact O-CD 3.27Å
713	S	78.4	Confident	66	Low	40 Å²	40	49.6 Å²	49.6	28%	0.28	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.4	172.9	-169.9	0	0	0	0	109.9	F555 Q556 Q557 G711	F555-S713 CarbonylContact C-O 3.56Å; F555-S713 WeakPolarHBondContact CA-O 3.47Å; Q556-S713 PolarHBondContact N-O 2.81Å; Q557-S713 PolarHBondContact O-N 3.04Å; G711-S713 PolarHBondContact O-N 3.5Å
714	P	71.5	Confident	63	Low	56 Å²	56	58.4 Å²	58.4	36%	0.364	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	154.5	173.6	28.2	-34.4	0	0	0	111.1	L554 L712	L554-P714 WeakPolarHBondContact O-CA 3.49Å; L712-P714 WeakPolarHBondContact O-CD 3.27Å
715	I	70.9	Confident	60	Low	48 Å²	48	62.2 Å²	62.2	25%	0.246	35%	0.354	C	S	.	.			trans	-77.7	121.8	175	-65.3	171.5	0	0	0	108.7	E552 L554 Q556 N717 S718	E552-I715 WeakPolarHBondContact O-CD1 3.47Å; L554-I715 PolarHBondContact O-N 2.83Å; Q556-I715 HydrophobicContact CB-CG1 3.87Å; I715-N717 PolarHBondContact O-N 2.99Å; I715-S718 PolarHBondContact O-N 2.82Å; I715-S718 VanDerWaalsContact O-N 3.15Å; I715-S718 PolarHBondContact O-OG 2.86Å
716	S	56.6	Low	56.9	Low	112 Å²	112	67.4 Å²	67.4	78%	0.783	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-9.2	-175.1	56.5	0	0	0	0	115.7
717	N	41	Very low	53.9	Low	137 Å²	137	74.4 Å²	74.4	73%	0.733	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.8	2.3	-173.7	-62.3	43.3	0	0	0	112.4	I715 T719	I715-N717 PolarHBondContact O-N 2.99Å; N717-T719 PolarHBondContact O-N 2.88Å; N717-T719 VanDerWaalsContact O-N 3.1Å
718	S	36.5	Very low	51	Low	36 Å²	36	82.7 Å²	82.7	25%	0.252	47%	0.467	S	S	.	.			trans	-78.6	97.8	-178.7	58	0	0	0	0	110.6	I715 I720	I715-S718 PolarHBondContact O-N 2.82Å; I715-S718 VanDerWaalsContact O-N 3.15Å; I715-S718 PolarHBondContact O-OG 2.86Å; S718-I720 PolarHBondContact O-N 2.91Å
719	T	30.6	Very low	48.1	Very low	121 Å²	121	86 Å²	86	74%	0.742	48%	0.484	S	S	*	.			trans	-52.9	110.5	152.2	-56.1	0	0	0	0	107.5	N717	N717-T719 PolarHBondContact O-N 2.88Å; N717-T719 VanDerWaalsContact O-N 3.1Å
720	I	35.9	Very low	45.2	Very low	90 Å²	90	95.8 Å²	95.8	46%	0.462	53%	0.526	S	S	.	.			trans	-49.8	135.2	169.1	-61.4	167.1	0	0	0	107	S718 R722	S718-I720 PolarHBondContact O-N 2.91Å; I720-R722 VanDerWaalsContact C-N 3.28Å; I720-R722 PolarHBondContact O-N 2.84Å
721	P	28.7	Very low	42.3	Very low	94 Å²	94	103.4 Å²	103.4	61%	0.61	57%	0.566	S	S	*	*			trans	-59.1	84.8	-179.3	-27.3	36.8	0	0	0	113.2	T723	P721-T723 VanDerWaalsContact C-N 3.26Å; P721-T723 PolarHBondContact O-N 3.17Å
722	R	27.8	Very low	39.6	Very low	133 Å²	133	106.6 Å²	106.6	50%	0.502	58%	0.58	S	S	.	*			trans	-77.1	77.6	177.2	-75.6	-180	174.1	173.9	-6.4	109.2	I720 F724 L729 E732	I720-R722 VanDerWaalsContact C-N 3.28Å; I720-R722 PolarHBondContact O-N 2.84Å; R722-F724 PolarHBondContact O-N 2.87Å; R722-L729 VanDerWaalsContact CZ-CD1 3.41Å; R722-E732 IonicContact CZ-OE2 3.22Å; R722-E732 IonicContact NH2-OE2 2.73Å; R722-E732 PolarHBondContact NH2-OE2 3.07Å
723	T	25.8	Very low	37.1	Very low	120 Å²	120	113.1 Å²	113.1	74%	0.736	62%	0.62	S	S	*	*			trans	-76.1	39.6	164.3	55.1	0	0	0	0	111.5	P721	P721-T723 VanDerWaalsContact C-N 3.26Å; P721-T723 PolarHBondContact O-N 3.17Å
724	F	25.6	Very low	34.9	Very low	186 Å²	186	117.6 Å²	117.6	82%	0.816	64%	0.641	S	S	*	*	S	Bend	trans	-146.8	150.3	172.3	-77.3	-69.1	0	0	0	108.9	R722	R722-F724 PolarHBondContact O-N 2.87Å
725	S	26.2	Very low	33.1	Very low	109 Å²	109	117.6 Å²	117.6	76%	0.762	64%	0.642	S	S	*	*			trans	-57.4	147.5	-156.6	50.4	0	0	0	0	117.4	D727	S725-D727 PolarHBondContact O-N 2.75Å
726	S	25	Very low	31.6	Very low	108 Å²	108	121 Å²	121	76%	0.755	66%	0.66	S	S	*	*	S	Bend	trans	-72.7	-14.2	-166.8	-53.1	0	0	0	0	117.9	Q728	S726-Q728 PolarHBondContact O-N 3.5Å
727	D	26.3	Very low	30.8	Very low	153 Å²	153	120.1 Å²	120.1	82%	0.818	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.4	16.7	-150.4	-67.7	-26.6	0	0	0	117.6	S725	S725-D727 PolarHBondContact O-N 2.75Å
728	Q	28.7	Very low	30.2	Very low	173 Å²	173	114.6 Å²	114.6	81%	0.808	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.4	-14.1	176.5	-69.7	-168.1	-10.3	0	0	115.7	S726 K730	S726-Q728 PolarHBondContact O-N 3.5Å; Q728-K730 PolarHBondContact O-N 2.93Å
729	L	28.8	Very low	30.2	Very low	72 Å²	72	119.7 Å²	119.7	38%	0.377	64%	0.64	S	S	.	*			trans	-111.8	61.9	-153.7	-58	-179.2	0	0	0	115	R722 E732	R722-L729 VanDerWaalsContact CZ-CD1 3.41Å; L729-E732 HydrophobicContact CD2-CB 4.46Å; L729-E732 VanDerWaalsContact CD2-CD 3.47Å; L729-E732 HydrophobicContact CD2-CG 3.89Å
730	K	28	Very low	30.6	Very low	215 Å²	215	116.7 Å²	116.7	94%	0.935	62%	0.619	S	S	*	*	S	Bend	trans	-97.4	13.1	161.7	-100.6	-178.4	178.9	175.1	0	113.9	Q728	Q728-K730 PolarHBondContact O-N 2.93Å
731	L	29.9	Very low	30.8	Very low	159 Å²	159	117.2 Å²	117.2	83%	0.832	63%	0.63	S	S	*	*	S	Bend	trans	-126.1	9.9	-174.2	-104.7	163.9	0	0	0	114
732	E	25.5	Very low	31.7	Very low	72 Å²	72	121 Å²	121	34%	0.336	64%	0.638	S	S	.	*			trans	-120.7	4.9	-167	-89	-161.9	174.6	0	0	116.6	R722 L729 D734 S735	R722-E732 IonicContact CZ-OE2 3.22Å; R722-E732 IonicContact NH2-OE2 2.73Å; R722-E732 PolarHBondContact NH2-OE2 3.07Å; L729-E732 HydrophobicContact CD2-CB 4.46Å; L729-E732 VanDerWaalsContact CD2-CD 3.47Å; L729-E732 HydrophobicContact CD2-CG 3.89Å; E732-D734 PolarHBondContact O-N 3.13Å; E732-S735 WeakPolarHBondContact O-CB 3.44Å; E732-S735 PolarHBondContact O-N 3.17Å; E732-S735 PolarHBondContact O-OG 2.96Å
733	T	31.8	Very low	33.1	Very low	142 Å²	142	120.1 Å²	120.1	87%	0.871	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-17.7	173.7	34.9	0	0	0	0	113.6
734	D	31	Very low	35	Very low	134 Å²	134	115.2 Å²	115.2	72%	0.717	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-16.8	168.5	-64.2	-46.1	0	0	0	113.1	E732 I736 Y737 G738	E732-D734 PolarHBondContact O-N 3.13Å; D734-I736 PolarHBondContact O-N 2.95Å; D734-Y737 CarbonylContact O-C 3.53Å; D734-Y737 PolarHBondContact O-N 2.7Å; D734-G738 WeakPolarHBondContact O-CA 3.31Å; D734-G738 PolarHBondContact O-N 2.93Å
735	S	35.2	Very low	37.5	Very low	56 Å²	56	106.4 Å²	106.4	39%	0.392	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-73.4	-27.8	-162.1	74.8	0	0	0	0	115.1	E732 Y737 G738	E732-S735 WeakPolarHBondContact O-CB 3.44Å; E732-S735 PolarHBondContact O-N 3.17Å; E732-S735 PolarHBondContact O-OG 2.96Å; S735-Y737 PolarHBondContact O-N 2.87Å; S735-G738 PolarHBondContact O-N 2.85Å
736	I	39.4	Very low	40.1	Very low	119 Å²	119	102.8 Å²	102.8	61%	0.61	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-64.4	-25.1	-179.1	-56.4	176.2	0	0	0	111.4	D734	D734-I736 PolarHBondContact O-N 2.95Å
737	Y	38.9	Very low	43	Very low	93 Å²	93	103.3 Å²	103.3	37%	0.365	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-123.4	23.8	171.2	-88	-108.4	0	0	0	111.4	D734 S735 F807 W817 N818	D734-Y737 CarbonylContact O-C 3.53Å; D734-Y737 PolarHBondContact O-N 2.7Å; S735-Y737 PolarHBondContact O-N 2.87Å; Y737-F807 AromaticContact CE1-CE1 3.96Å; Y737-F807 HydrophobicContact CE1-CE1 3.96Å; Y737-F807 AromaticContact CE1-CZ 3.92Å; Y737-F807 HydrophobicContact CE1-CZ 3.92Å; Y737-F807 AromaticContact CZ-CE1 3.89Å; Y737-F807 WeakPolarHBondContact OH-CE1 3.34Å; Y737-W817 WeakPolarHBondContact CE1-O 3.34Å; Y737-N818 HydrophobicContact CD1-CB 3.98Å; Y737-N818 HydrophobicContact CE1-CB 4.23Å; Y737-N818 PolarHBondContact O-ND2 2.71Å; Y737-N818 VanDerWaalsContact O-ND2 3.09Å
738	G	28.9	Very low	45.7	Very low	22 Å²	22	100.5 Å²	100.5	23%	0.227	52%	0.523	C	S	.	.			trans	-65.4	164.7	-162.2	0	0	0	0	0	115	D734 S735 L740	D734-G738 WeakPolarHBondContact O-CA 3.31Å; D734-G738 PolarHBondContact O-N 2.93Å; S735-G738 PolarHBondContact O-N 2.85Å; G738-L740 PolarHBondContact O-N 3.06Å
739	D	35.7	Very low	48.4	Very low	143 Å²	143	92.5 Å²	92.5	77%	0.765	49%	0.486	S	S	*	.			trans	-59	99.6	-171.2	-165.6	27	0	0	0	112.1	S741	D739-S741 PolarHBondContact O-N 2.83Å; D739-S741 PolarHBondContact O-OG 2.64Å
740	L	40.1	Very low	51.2	Low	58 Å²	58	89.2 Å²	89.2	30%	0.304	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	44.4	-174.8	-98.3	158	0	0	0	112.5	G738 K742 N818	G738-L740 PolarHBondContact O-N 3.06Å; L740-K742 VanDerWaalsContact C-N 3.33Å; L740-K742 CarbonylContact C-O 3.54Å; L740-N818 HydrophobicContact CD1-CB 4.13Å
741	S	40.1	Very low	54.1	Low	100 Å²	100	83.7 Å²	83.7	70%	0.699	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-17.3	164.4	56.8	0	0	0	0	112.1	D739	D739-S741 PolarHBondContact O-N 2.83Å; D739-S741 PolarHBondContact O-OG 2.64Å
742	K	46.7	Very low	56.8	Low	175 Å²	175	80.4 Å²	80.4	76%	0.761	43%	0.429	S	S	*	.	S	Bend	trans	-78.8	146.4	161.6	-66.1	177.9	179.9	175.8	0	109.9	L740 S744	L740-K742 VanDerWaalsContact C-N 3.33Å; L740-K742 CarbonylContact C-O 3.54Å; K742-S744 PolarHBondContact O-N 3.17Å
743	E	57.6	Low	59.8	Low	114 Å²	114	77 Å²	77	53%	0.533	41%	0.413	S	S	.	.			trans	-59.3	133	179.5	-74.2	165.4	119.7	0	0	111.2	V745 K747	E743-V745 PolarHBondContact O-N 3.22Å; E743-V745 VanDerWaalsContact O-N 3.12Å; E743-K747 VanDerWaalsContact CD-CE 3.47Å; E743-K747 WeakPolarHBondContact OE1-CE 3.24Å; E743-K747 WeakPolarHBondContact OE2-CE 3.17Å; E743-K747 IonicContact OE2-NZ 3.78Å
744	S	65.2	Low	62.6	Low	16 Å²	16	72.2 Å²	72.2	11%	0.112	39%	0.389	C	S	.	.	S	Bend	trans	-72	-3.5	-171.9	67.4	0	0	0	0	115.3	K742 Q883	K742-S744 PolarHBondContact O-N 3.17Å; S744-Q883 PolarHBondContact OG-NE2 3.37Å
745	V	77.7	Confident	65.4	Low	1 Å²	1	72.3 Å²	72.3	1%	0.006	39%	0.385	C	S	.	.	S	Bend	trans	-151.3	134.8	177.3	-177.8	0	0	0	0	106.2	E520 E743 T749 L750 W771 H773 I885	E520-V745 HydrophobicContact CB-CG1 4.45Å; E743-V745 PolarHBondContact O-N 3.22Å; E743-V745 VanDerWaalsContact O-N 3.12Å; V745-T749 HydrophobicContact CG1-CG2 3.67Å; V745-L750 HydrophobicContact CB-CD2 4.13Å; V745-L750 HydrophobicContact CB-CG 4.21Å; V745-L750 HydrophobicContact CG1-CD2 3.85Å; V745-L750 HydrophobicContact CG1-CG 3.92Å; V745-W771 HydrophobicContact CG2-CH2 4.47Å; V745-H773 WeakPolarHBondContact CG2-NE2 3.41Å; V745-I885 HydrophobicContact CB-CD1 4.47Å; V745-I885 HydrophobicContact CG2-CD1 4.21Å
746	S	81.5	Confident	67.9	Low	33 Å²	33	73 Å²	73	23%	0.231	38%	0.379	C	S	.	.			trans	-59.8	145.2	178.9	70.2	0	0	0	0	112.3	E520 T748 T749 L750	E520-S746 VanDerWaalsContact CD-N 3.34Å; E520-S746 WeakPolarHBondContact OE1-CA 3.37Å; E520-S746 WeakPolarHBondContact OE1-CB 3.41Å; E520-S746 PolarHBondContact OE1-N 2.93Å; E520-S746 PolarHBondContact OE1-OG 2.83Å; E520-S746 WeakPolarHBondContact OE2-CB 3.17Å; E520-S746 PolarHBondContact OE2-N 2.85Å; E520-S746 PolarHBondContact OE2-OG 3.49Å; S746-T748 WeakPolarHBondContact CB-OG1 3.48Å; S746-T748 PolarHBondContact O-N 2.9Å; S746-T748 PolarHBondContact OG-OG1 3.4Å; S746-T749 PolarHBondContact O-N 2.92Å; S746-T749 VanDerWaalsContact O-N 3.14Å; S746-T749 WeakPolarHBondContact OG-CB 3.27Å; S746-T749 PolarHBondContact OG-N 3.19Å; S746-T749 PolarHBondContact OG-OG1 2.71Å; S746-T749 VanDerWaalsContact OG-OG1 3.05Å; S746-L750 WeakPolarHBondContact O-CG 3.05Å; S746-L750 PolarHBondContact O-N 2.89Å
747	K	85	Confident	70.3	Confident	120 Å²	120	67.5 Å²	67.5	52%	0.522	35%	0.351	S	S	.	.	H	α-helix	trans	-58.6	-40	176.6	-61.8	-174	-173.8	-179.1	0	111.5	E743 T749 L750 D751	E743-K747 VanDerWaalsContact CD-CE 3.47Å; E743-K747 WeakPolarHBondContact OE1-CE 3.24Å; E743-K747 WeakPolarHBondContact OE2-CE 3.17Å; E743-K747 IonicContact OE2-NZ 3.78Å; K747-T749 PolarHBondContact O-N 2.88Å; K747-L750 CarbonylContact O-C 3.51Å; K747-L750 PolarHBondContact O-N 2.72Å; K747-L750 VanDerWaalsContact O-N 3.11Å; K747-D751 WeakPolarHBondContact O-CB 3.45Å; K747-D751 PolarHBondContact O-N 2.73Å
748	T	84.2	Confident	72.6	Confident	94 Å²	94	64.6 Å²	64.6	58%	0.577	35%	0.346	S	S	*	.	H	α-helix	trans	-53.3	-45.7	173.5	32.2	0	0	0	0	113.3	S746 Q752	S746-T748 WeakPolarHBondContact CB-OG1 3.48Å; S746-T748 PolarHBondContact O-N 2.9Å; S746-T748 PolarHBondContact OG-OG1 3.4Å; T748-Q752 WeakPolarHBondContact O-CG 3.29Å; T748-Q752 PolarHBondContact O-N 3.13Å
749	T	84.8	Confident	75.3	Confident	5 Å²	5	68.6 Å²	68.6	3%	0.031	36%	0.361	C	S	.	.	H	α-helix	trans	-66.8	-46.2	173.8	-67.5	0	0	0	0	111.1	N517 E520 V745 S746 K747 D751 Q752 V753	N517-T749 HydrophobicContact CB-CG2 4.33Å; N517-T749 PolarHBondContact ND2-OG1 3.4Å; N517-T749 WeakPolarHBondContact O-CG2 3.4Å; E520-T749 WeakPolarHBondContact OE2-CB 3.36Å; E520-T749 PolarHBondContact OE2-OG1 2.78Å; V745-T749 HydrophobicContact CG1-CG2 3.67Å; S746-T749 PolarHBondContact O-N 2.92Å; S746-T749 VanDerWaalsContact O-N 3.14Å; S746-T749 WeakPolarHBondContact OG-CB 3.27Å; S746-T749 PolarHBondContact OG-N 3.19Å; S746-T749 PolarHBondContact OG-OG1 2.71Å; S746-T749 VanDerWaalsContact OG-OG1 3.05Å; K747-T749 PolarHBondContact O-N 2.88Å; T749-D751 VanDerWaalsContact C-N 3.27Å; T749-D751 PolarHBondContact O-N 2.85Å; T749-Q752 PolarHBondContact O-N 2.97Å; T749-V753 HydrophobicContact CG2-CG2 4.37Å; T749-V753 VanDerWaalsContact O-CG2 3.3Å; T749-V753 WeakPolarHBondContact O-CG2 3.46Å; T749-V753 PolarHBondContact O-N 3.33Å
750	L	88.2	Confident	77.8	Confident	3 Å²	3	73.1 Å²	73.1	2%	0.016	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-33.8	179.9	-66.2	178.1	0	0	0	113.4	V745 S746 K747 A754 W771 I885 I887	V745-L750 HydrophobicContact CB-CD2 4.13Å; V745-L750 HydrophobicContact CB-CG 4.21Å; V745-L750 HydrophobicContact CG1-CD2 3.85Å; V745-L750 HydrophobicContact CG1-CG 3.92Å; S746-L750 WeakPolarHBondContact O-CG 3.05Å; S746-L750 PolarHBondContact O-N 2.89Å; K747-L750 CarbonylContact O-C 3.51Å; K747-L750 PolarHBondContact O-N 2.72Å; K747-L750 VanDerWaalsContact O-N 3.11Å; L750-A754 WeakPolarHBondContact O-CB 3.39Å; L750-A754 PolarHBondContact O-N 3.33Å; L750-W771 HydrophobicContact CD2-CH2 3.81Å; L750-W771 HydrophobicContact CD2-CZ3 3.9Å; L750-I885 HydrophobicContact CD1-CD1 4.36Å; L750-I885 HydrophobicContact CD2-CD1 4.17Å; L750-I885 HydrophobicContact CD2-CG2 3.9Å; L750-I887 HydrophobicContact CD2-CD1 4.29Å; L750-I887 WeakPolarHBondContact O-CD1 3.37Å
751	D	88.4	Confident	79.9	Confident	98 Å²	98	72.6 Å²	72.6	52%	0.524	37%	0.365	S	S	.	.	H	α-helix	trans	-75.1	-36.9	178.1	-65.6	-26.5	0	0	0	111.3	K747 T749 A754 E755	K747-D751 WeakPolarHBondContact O-CB 3.45Å; K747-D751 PolarHBondContact O-N 2.73Å; T749-D751 VanDerWaalsContact C-N 3.27Å; T749-D751 PolarHBondContact O-N 2.85Å; D751-A754 WeakPolarHBondContact O-CB 3.42Å; D751-A754 PolarHBondContact O-N 2.74Å; D751-E755 PolarHBondContact O-N 3Å
752	Q	87.2	Confident	81.9	Confident	90 Å²	90	68.7 Å²	68.7	42%	0.421	34%	0.337	S	S	.	.	H	α-helix	trans	-66.2	-38.6	170.8	-70.1	178.5	22.3	0	0	112.6	N517 F518 T748 T749 A754 E755 Y756	N517-Q752 PolarHBondContact ND2-OE1 2.87Å; F518-Q752 HydrophobicContact CE1-CB 4.12Å; T748-Q752 WeakPolarHBondContact O-CG 3.29Å; T748-Q752 PolarHBondContact O-N 3.13Å; T749-Q752 PolarHBondContact O-N 2.97Å; Q752-A754 VanDerWaalsContact C-N 3.31Å; Q752-A754 PolarHBondContact O-N 3.05Å; Q752-E755 PolarHBondContact O-N 3.19Å; Q752-Y756 WeakPolarHBondContact O-CB 3.2Å; Q752-Y756 PolarHBondContact O-N 3.44Å
753	V	87.9	Confident	83.5	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-40.4	171.3	-179.2	0	0	0	0	110.3	F518 T749 Y756 Y757 W771 I887	F518-V753 HydrophobicContact CD1-CG2 3.54Å; F518-V753 HydrophobicContact CD2-CG2 3.83Å; F518-V753 HydrophobicContact CE1-CB 4.35Å; F518-V753 HydrophobicContact CE1-CG2 3.53Å; F518-V753 HydrophobicContact CE2-CB 4.32Å; F518-V753 HydrophobicContact CE2-CG1 4.4Å; F518-V753 HydrophobicContact CE2-CG2 3.83Å; F518-V753 HydrophobicContact CG-CG2 3.71Å; F518-V753 HydrophobicContact CZ-CB 4.13Å; F518-V753 HydrophobicContact CZ-CG2 3.68Å; T749-V753 HydrophobicContact CG2-CG2 4.37Å; T749-V753 VanDerWaalsContact O-CG2 3.3Å; T749-V753 WeakPolarHBondContact O-CG2 3.46Å; T749-V753 PolarHBondContact O-N 3.33Å; V753-Y756 PolarHBondContact O-N 2.79Å; V753-Y757 HydrophobicContact CG1-CD2 3.9Å; V753-Y757 HydrophobicContact CG1-CE2 4.12Å; V753-Y757 WeakPolarHBondContact O-CD2 3.44Å; V753-Y757 PolarHBondContact O-N 2.87Å; V753-Y757 VanDerWaalsContact O-N 3.11Å; V753-W771 HydrophobicContact CG1-CB 3.94Å; V753-W771 HydrophobicContact CG1-CD2 3.9Å; V753-W771 HydrophobicContact CG1-CE3 3.93Å; V753-W771 HydrophobicContact CG1-CG 3.98Å; V753-W771 HydrophobicContact CG2-CD2 4.44Å; V753-I887 HydrophobicContact CB-CD1 3.84Å; V753-I887 HydrophobicContact CG1-CB 3.86Å; V753-I887 HydrophobicContact CG1-CD1 3.69Å; V753-I887 HydrophobicContact CG1-CG1 4.32Å; V753-I887 HydrophobicContact CG1-CG2 3.94Å
754	A	89.9	Confident	84.4	Confident	43 Å²	43	70.7 Å²	70.7	36%	0.355	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-37.6	176.2	0	0	0	0	0	113	L750 D751 Q752 A758 I887	L750-A754 WeakPolarHBondContact O-CB 3.39Å; L750-A754 PolarHBondContact O-N 3.33Å; D751-A754 WeakPolarHBondContact O-CB 3.42Å; D751-A754 PolarHBondContact O-N 2.74Å; Q752-A754 VanDerWaalsContact C-N 3.31Å; Q752-A754 PolarHBondContact O-N 3.05Å; A754-A758 PolarHBondContact O-N 3.38Å; A754-I887 HydrophobicContact CB-CG2 4.43Å
755	E	90.1	Very high	84.8	Confident	136 Å²	136	73.8 Å²	73.8	64%	0.636	36%	0.356	S	S	*	.	H	α-helix	trans	-68.9	-44.4	173.9	-177.7	163.6	-149.8	0	0	112.2	D751 Q752 Y757 A758 N761	D751-E755 PolarHBondContact O-N 3Å; Q752-E755 PolarHBondContact O-N 3.19Å; E755-Y757 VanDerWaalsContact C-N 3.3Å; E755-Y757 PolarHBondContact O-N 2.83Å; E755-A758 WeakPolarHBondContact O-CB 3.5Å; E755-A758 PolarHBondContact O-N 3.38Å; E755-N761 PolarHBondContact O-ND2 2.84Å
756	Y	88.2	Confident	84.6	Confident	69 Å²	69	81 Å²	81	27%	0.271	38%	0.383	S	S	.	.	H	α-helix	trans	-56.6	-44.2	177	-176.1	-86.8	0	0	0	111.9	W514 F518 Q752 V753 N761 D768	W514-Y756 AromaticContact CD1-CZ 3.99Å; W514-Y756 AromaticContact NE1-CE1 3.98Å; F518-Y756 HydrophobicContact CE2-CD1 4.35Å; F518-Y756 HydrophobicContact CE2-CD2 4.48Å; F518-Y756 HydrophobicContact CE2-CG 4.09Å; F518-Y756 HydrophobicContact CZ-CG 4.22Å; Q752-Y756 WeakPolarHBondContact O-CB 3.2Å; Q752-Y756 PolarHBondContact O-N 3.44Å; V753-Y756 PolarHBondContact O-N 2.79Å; Y756-N761 WeakPolarHBondContact O-CB 3.24Å; Y756-N761 PolarHBondContact O-ND2 3.3Å; Y756-D768 PolarHBondContact OH-OD2 2.99Å
757	Y	89.5	Confident	84.3	Confident	5 Å²	5	82.4 Å²	82.4	2%	0.02	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	5.3	177	-70.4	-70.3	0	0	0	114.9	W514 V753 E755 D768 G770 W771 I887 N889	W514-Y757 VanDerWaalsContact CZ2-OH 3.27Å; W514-Y757 WeakPolarHBondContact CZ2-OH 3.31Å; W514-Y757 AromaticContact NE1-CZ 3.91Å; W514-Y757 PolarHBondContact NE1-OH 3.3Å; V753-Y757 HydrophobicContact CG1-CD2 3.9Å; V753-Y757 HydrophobicContact CG1-CE2 4.12Å; V753-Y757 WeakPolarHBondContact O-CD2 3.44Å; V753-Y757 PolarHBondContact O-N 2.87Å; V753-Y757 VanDerWaalsContact O-N 3.11Å; E755-Y757 VanDerWaalsContact C-N 3.3Å; E755-Y757 PolarHBondContact O-N 2.83Å; Y757-D768 WeakPolarHBondContact CE1-OD1 3.39Å; Y757-D768 VanDerWaalsContact OH-CG 3.28Å; Y757-D768 PolarHBondContact OH-OD1 3.14Å; Y757-D768 PolarHBondContact OH-OD2 2.87Å; Y757-G770 VanDerWaalsContact CE1-N 3.34Å; Y757-G770 VanDerWaalsContact CZ-C 3.49Å; Y757-G770 PolarHBondContact OH-O 3.19Å; Y757-W771 HydrophobicContact CD2-CB 4.36Å; Y757-W771 HydrophobicContact CE2-CB 3.6Å; Y757-I887 HydrophobicContact CD2-CG2 4.26Å; Y757-N889 VanDerWaalsContact O-CB 3.25Å; Y757-N889 WeakPolarHBondContact O-CB 3.06Å; Y757-N889 PolarHBondContact O-ND2 2.63Å
758	A	88.4	Confident	84.3	Confident	31 Å²	31	76.9 Å²	76.9	26%	0.256	37%	0.369	S	S	.	.	S	Bend	trans	-56.4	153.5	-180	0	0	0	0	0	112.5	A754 E755 R760 N761 N889	A754-A758 PolarHBondContact O-N 3.38Å; E755-A758 WeakPolarHBondContact O-CB 3.5Å; E755-A758 PolarHBondContact O-N 3.38Å; A758-R760 PolarHBondContact O-N 3.06Å; A758-R760 VanDerWaalsContact O-N 3.1Å; A758-N761 PolarHBondContact O-N 2.81Å; A758-N889 PolarHBondContact O-ND2 2.83Å; A758-N889 VanDerWaalsContact O-ND2 3.1Å
759	I	85.9	Confident	84.6	Confident	106 Å²	106	72.4 Å²	72.4	54%	0.544	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-58	-29.1	-179	-66.7	172.8	0	0	0	111.8	N761 T762 P890 L891	I759-N761 VanDerWaalsContact C-N 3.26Å; I759-N761 PolarHBondContact O-N 2.66Å; I759-T762 WeakPolarHBondContact O-CB 3.1Å; I759-T762 PolarHBondContact O-N 2.74Å; I759-T762 PolarHBondContact O-OG1 3.43Å; I759-P890 HydrophobicContact CD1-CG 4.17Å; I759-P890 HydrophobicContact CG1-CG 4.2Å; I759-L891 HydrophobicContact CG2-CD1 3.81Å; I759-L891 HydrophobicContact CG2-CG 4.48Å
760	R	86.9	Confident	84.9	Confident	238 Å²	238	72.2 Å²	72.2	90%	0.898	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-59.8	-33.4	173.6	-63	177.8	-179.7	167.3	-1.2	112.9	A758 T762	A758-R760 PolarHBondContact O-N 3.06Å; A758-R760 VanDerWaalsContact O-N 3.1Å; R760-T762 PolarHBondContact O-N 3.44Å
761	N	84.5	Confident	85.1	Confident	47 Å²	47	72.1 Å²	72.1	25%	0.251	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-90.3	9.7	-177	-73.8	-37	0	0	0	114.2	E755 Y756 A758 I759 L763 R764	E755-N761 PolarHBondContact O-ND2 2.84Å; Y756-N761 WeakPolarHBondContact O-CB 3.24Å; Y756-N761 PolarHBondContact O-ND2 3.3Å; A758-N761 PolarHBondContact O-N 2.81Å; I759-N761 VanDerWaalsContact C-N 3.26Å; I759-N761 PolarHBondContact O-N 2.66Å; N761-L763 PolarHBondContact O-N 3.02Å; N761-L763 VanDerWaalsContact O-N 3.08Å; N761-R764 PolarHBondContact O-N 2.88Å; N761-R764 VanDerWaalsContact O-N 3.09Å
762	T	82.7	Confident	85.3	Confident	18 Å²	18	67.4 Å²	67.4	11%	0.11	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.4	-175.3	-60.5	0	0	0	0	114	I759 R760 N889 L891 K892	I759-T762 WeakPolarHBondContact O-CB 3.1Å; I759-T762 PolarHBondContact O-N 2.74Å; I759-T762 PolarHBondContact O-OG1 3.43Å; R760-T762 PolarHBondContact O-N 3.44Å; T762-N889 PolarHBondContact OG1-ND2 2.87Å; T762-N889 PolarHBondContact OG1-OD1 3.4Å; T762-L891 HydrophobicContact CG2-CB 3.82Å; T762-L891 HydrophobicContact CG2-CD1 4.42Å; T762-K892 HydrophobicContact CG2-CG 4.08Å; T762-K892 WeakPolarHBondContact O-CE 3.44Å
763	L	80	Confident	85.6	Confident	140 Å²	140	63.1 Å²	63.1	73%	0.733	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.7	-176.7	-62.4	176.7	0	0	0	114.5	N761 W766	N761-L763 PolarHBondContact O-N 3.02Å; N761-L763 VanDerWaalsContact O-N 3.08Å; L763-W766 VanDerWaalsContact O-CD1 3.25Å; L763-W766 PolarHBondContact O-NE1 3.25Å
764	R	76.2	Confident	85.9	Confident	192 Å²	192	63.1 Å²	63.1	73%	0.725	30%	0.295	S	S	*	.	S	Bend	trans	-80.2	128.6	178.8	-71.9	-176.5	169.2	-163.2	-2.4	110.9	N761 K892	N761-R764 PolarHBondContact O-N 2.88Å; N761-R764 VanDerWaalsContact O-N 3.09Å; R764-K892 WeakPolarHBondContact O-CE 3.34Å; R764-K892 PolarHBondContact O-NZ 2.92Å
765	K	73.4	Confident	85.9	Confident	81 Å²	81	61.2 Å²	61.2	35%	0.352	28%	0.278	S	S	.	.			trans	42.7	82.7	173.1	-161.7	172.4	-178.2	178.7	0	114.1	Q511 S767 D768 K892	Q511-K765 PolarHBondContact O-NZ 3.45Å; K765-S767 VanDerWaalsContact C-N 3.29Å; K765-S767 PolarHBondContact O-N 3.41Å; K765-D768 HydrophobicContact CG-CB 4.39Å; K765-D768 PolarHBondContact O-N 2.96Å; K765-K892 PolarHBondContact O-NZ 2.78Å
766	W	74.1	Confident	86	Confident	152 Å²	152	54.7 Å²	54.7	58%	0.576	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.3	-168.4	-66.7	22.6	0	0	0	115.7	L763 D768	L763-W766 VanDerWaalsContact O-CD1 3.25Å; L763-W766 PolarHBondContact O-NE1 3.25Å; W766-D768 VanDerWaalsContact C-N 3.33Å
767	S	75.2	Confident	86.1	Confident	62 Å²	62	51.8 Å²	51.8	43%	0.434	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-24.7	176.8	57.7	0	0	0	0	113.2	K765	K765-S767 VanDerWaalsContact C-N 3.29Å; K765-S767 PolarHBondContact O-N 3.41Å
768	D	85.3	Confident	86.1	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.027	25%	0.252	C	S	.	.			trans	-93.1	102	-177.3	-177.4	7	0	0	0	109.5	Y756 Y757 K765 W766 K892	Y756-D768 PolarHBondContact OH-OD2 2.99Å; Y757-D768 WeakPolarHBondContact CE1-OD1 3.39Å; Y757-D768 VanDerWaalsContact OH-CG 3.28Å; Y757-D768 PolarHBondContact OH-OD1 3.14Å; Y757-D768 PolarHBondContact OH-OD2 2.87Å; K765-D768 HydrophobicContact CG-CB 4.39Å; K765-D768 PolarHBondContact O-N 2.96Å; W766-D768 VanDerWaalsContact C-N 3.33Å; D768-K892 WeakPolarHBondContact O-CD 3.5Å; D768-K892 PolarHBondContact O-NZ 3.17Å
769	V	88.9	Confident	86.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	24%	0.241	C	C	.	.			trans	-97.7	-30.6	-171	178.4	0	0	0	0	112.1	I825 F888 N889 K892 A893 R896	V769-I825 WeakPolarHBondContact CA-O 3.36Å; V769-I825 VanDerWaalsContact CB-O 3.27Å; V769-I825 WeakPolarHBondContact CB-O 3.33Å; V769-I825 PolarHBondContact N-O 2.95Å; V769-F888 WeakPolarHBondContact O-CA 3.37Å; V769-N889 PolarHBondContact O-N 3.09Å; V769-K892 HydrophobicContact CB-CB 4.41Å; V769-K892 HydrophobicContact CG1-CB 4.11Å; V769-K892 HydrophobicContact CG2-CB 4.23Å; V769-A893 HydrophobicContact CG1-CB 3.63Å; V769-R896 HydrophobicContact CG2-CB 4.23Å; V769-R896 HydrophobicContact CG2-CG 4.32Å
770	G	91	Very high	86.4	Confident	0 Å²	0	50 Å²	50	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	177.5	-177.3	0	0	0	0	0	114.2	Y757 I825 I887	Y757-G770 VanDerWaalsContact CE1-N 3.34Å; Y757-G770 VanDerWaalsContact CZ-C 3.49Å; Y757-G770 PolarHBondContact OH-O 3.19Å; G770-I825 PolarHBondContact N-O 3.32Å; G770-I825 WeakPolarHBondContact O-CB 3.49Å; G770-I825 PolarHBondContact O-N 3.37Å; G770-I887 CarbonylContact C-O 3.57Å; G770-I887 VanDerWaalsContact CA-O 3.23Å; G770-I887 WeakPolarHBondContact CA-O 3.48Å
771	W	92.8	Very high	86.3	Confident	1 Å²	1	42.7 Å²	42.7	0%	0.004	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	130.9	-179.6	173.1	101.6	0	0	0	109.2	W514 F518 V745 L750 V753 Y757 H773 V822 I885 I887	W514-W771 HydrophobicContact CH2-CB 4.48Å; W514-W771 AromaticContact CH2-CD1 3.67Å; W514-W771 HydrophobicContact CH2-CG 4.41Å; W514-W771 HydrophobicContact CZ2-CB 4.15Å; W514-W771 AromaticContact CZ2-CD1 3.86Å; W514-W771 HydrophobicContact CZ2-CG 4.43Å; W514-W771 AromaticContact CZ3-CD1 3.85Å; F518-W771 PolarHBondContact O-NE1 3.07Å; V745-W771 HydrophobicContact CG2-CH2 4.47Å; L750-W771 HydrophobicContact CD2-CH2 3.81Å; L750-W771 HydrophobicContact CD2-CZ3 3.9Å; V753-W771 HydrophobicContact CG1-CB 3.94Å; V753-W771 HydrophobicContact CG1-CD2 3.9Å; V753-W771 HydrophobicContact CG1-CE3 3.93Å; V753-W771 HydrophobicContact CG1-CG 3.98Å; V753-W771 HydrophobicContact CG2-CD2 4.44Å; Y757-W771 HydrophobicContact CD2-CB 4.36Å; Y757-W771 HydrophobicContact CE2-CB 3.6Å; W771-H773 HydrophobicContact CD2-CB 4.49Å; W771-H773 HydrophobicContact CE3-CB 4.17Å; W771-H773 HydrophobicContact CH2-CB 3.37Å; W771-H773 AromaticContact CH2-CG 3.92Å; W771-H773 HydrophobicContact CZ2-CB 3.71Å; W771-H773 HydrophobicContact CZ3-CB 3.62Å; W771-V822 HydrophobicContact CG-CG1 4.38Å; W771-V822 HydrophobicContact CZ2-CG2 4.17Å; W771-V822 VanDerWaalsContact NE1-CG1 3.31Å; W771-I885 HydrophobicContact CZ3-CB 4.12Å; W771-I885 HydrophobicContact CZ3-CG2 3.94Å; W771-I887 HydrophobicContact CZ3-CD1 4.44Å; W771-I887 PolarHBondContact N-O 2.83Å; W771-I887 PolarHBondContact O-N 3.14Å
772	L	93.8	Very high	86.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	120	177.6	167.1	67.3	0	0	0	108.5	V774 L799 V822 F823 I825 L832 L854 L857 I886	L772-V774 HydrophobicContact CD1-CG2 3.84Å; L772-V774 HydrophobicContact CD2-CG2 4Å; L772-V774 HydrophobicContact CG-CG2 3.73Å; L772-L799 HydrophobicContact CD2-CD2 4.12Å; L772-V822 CarbonylContact O-C 3.51Å; L772-V822 WeakPolarHBondContact O-CA 3.3Å; L772-F823 HydrophobicContact CB-CB 4.35Å; L772-F823 HydrophobicContact CD2-CB 4.3Å; L772-F823 HydrophobicContact CD2-CD2 4.18Å; L772-F823 HydrophobicContact CG-CD2 4.45Å; L772-F823 PolarHBondContact N-O 2.79Å; L772-F823 PolarHBondContact O-N 3.28Å; L772-I825 HydrophobicContact CB-CD1 3.98Å; L772-I825 HydrophobicContact CB-CG1 3.81Å; L772-L832 HydrophobicContact CD2-CD1 3.96Å; L772-L854 HydrophobicContact CD2-CD2 3.7Å; L772-L857 HydrophobicContact CD1-CD1 4.33Å; L772-I886 HydrophobicContact CD1-CD1 4Å; L772-I886 HydrophobicContact CD1-CG1 3.71Å
773	H	93	Very high	86.3	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.6	173.3	177.5	-80.9	0	0	0	109.6	V745 W771 V775 A820 V822 T884 I885	V745-H773 WeakPolarHBondContact CG2-NE2 3.41Å; W771-H773 HydrophobicContact CD2-CB 4.49Å; W771-H773 HydrophobicContact CE3-CB 4.17Å; W771-H773 HydrophobicContact CH2-CB 3.37Å; W771-H773 AromaticContact CH2-CG 3.92Å; W771-H773 HydrophobicContact CZ2-CB 3.71Å; W771-H773 HydrophobicContact CZ3-CB 3.62Å; H773-V775 VanDerWaalsContact CE1-CG2 3.46Å; H773-V775 WeakPolarHBondContact CE1-CG2 2.76Å; H773-A820 WeakPolarHBondContact NE2-CB 3.39Å; H773-V822 HydrophobicContact CB-CG2 4.2Å; H773-T884 WeakPolarHBondContact O-CA 3.25Å; H773-I885 HydrophobicContact CB-CB 4.32Å; H773-I885 PolarHBondContact N-O 3.24Å; H773-I885 PolarHBondContact O-N 2.66Å
774	V	93.1	Very high	85.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	118.1	-175.7	-173.7	0	0	0	0	109.1	L772 I797 A820 F821 F823 L832 T884	L772-V774 HydrophobicContact CD1-CG2 3.84Å; L772-V774 HydrophobicContact CD2-CG2 4Å; L772-V774 HydrophobicContact CG-CG2 3.73Å; V774-I797 HydrophobicContact CB-CD1 4.48Å; V774-I797 HydrophobicContact CG1-CD1 4Å; V774-A820 CarbonylContact O-C 3.59Å; V774-A820 VanDerWaalsContact O-CA 3.31Å; V774-A820 WeakPolarHBondContact O-CA 3.43Å; V774-F821 PolarHBondContact N-O 3.21Å; V774-F821 PolarHBondContact O-N 3.02Å; V774-F823 HydrophobicContact CG2-CD2 4.22Å; V774-F823 HydrophobicContact CG2-CE2 4.15Å; V774-L832 HydrophobicContact CG1-CD2 4.41Å; V774-L832 HydrophobicContact CG2-CD2 3.95Å; V774-T884 HydrophobicContact CG1-CG2 4.33Å; V774-T884 HydrophobicContact CG2-CG2 4.39Å
775	V	91.8	Very high	85.4	Confident	2 Å²	2	35.2 Å²	35.2	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.7	169.9	-157.5	0	0	0	0	109.4	H773 N777 A820 Q883	H773-V775 VanDerWaalsContact CE1-CG2 3.46Å; H773-V775 WeakPolarHBondContact CE1-CG2 2.76Å; V775-N777 WeakPolarHBondContact CG1-OD1 3.47Å; V775-A820 HydrophobicContact CB-CB 4.48Å; V775-A820 HydrophobicContact CG1-CB 4.26Å; V775-A820 HydrophobicContact CG2-CB 4.05Å; V775-Q883 HydrophobicContact CB-CB 4.03Å; V775-Q883 HydrophobicContact CG2-CB 4.16Å; V775-Q883 PolarHBondContact N-O 3.43Å; V775-Q883 PolarHBondContact O-N 3.36Å
776	V	92.4	Very high	84.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	95.3	172.3	-177	0	0	0	0	108	C795 I797 T806 W817 N818 Q819 F821 I880 L882	V776-C795 HydrophobicContact CG1-CB 4.1Å; V776-I797 HydrophobicContact CG2-CD1 3.45Å; V776-I797 VanDerWaalsContact CG2-CD1 3.45Å; V776-I797 HydrophobicContact CG2-CG1 4.28Å; V776-T806 HydrophobicContact CB-CG2 4.02Å; V776-T806 HydrophobicContact CG1-CG2 4.03Å; V776-T806 HydrophobicContact CG2-CG2 4.32Å; V776-W817 HydrophobicContact CG1-CB 4.36Å; V776-W817 HydrophobicContact CG1-CD2 4.28Å; V776-W817 HydrophobicContact CG1-CE3 3.64Å; V776-W817 HydrophobicContact CG1-CZ3 4.23Å; V776-W817 CarbonylContact O-C 3.31Å; V776-N818 WeakPolarHBondContact O-CA 3.32Å; V776-N818 PolarHBondContact O-N 2.96Å; V776-Q819 PolarHBondContact N-O 3.36Å; V776-Q819 PolarHBondContact O-N 2.73Å; V776-Q819 VanDerWaalsContact O-N 3.17Å; V776-F821 HydrophobicContact CG2-CE2 4.31Å; V776-I880 HydrophobicContact CG1-CD1 4.14Å; V776-L882 HydrophobicContact CB-CD2 4.39Å; V776-L882 HydrophobicContact CG1-CD2 4.34Å; V776-L882 HydrophobicContact CG2-CD2 4.06Å
777	N	89.4	Confident	84.3	Confident	7 Å²	7	42.1 Å²	42.1	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-68.4	-175.5	-69.7	9	0	0	0	110.9	V775 W817 N818 Q862 L881	V775-N777 WeakPolarHBondContact CG1-OD1 3.47Å; N777-W817 PolarHBondContact O-N 3.49Å; N777-N818 PolarHBondContact O-N 3.2Å; N777-N818 PolarHBondContact O-OD1 3.23Å; N777-Q862 PolarHBondContact ND2-NE2 3.01Å; N777-Q862 VanDerWaalsContact ND2-NE2 3.18Å; N777-Q862 PolarHBondContact ND2-OE1 2.89Å; N777-Q862 VanDerWaalsContact ND2-OE1 3.17Å; N777-L881 HydrophobicContact CB-CB 4.34Å; N777-L881 HydrophobicContact CB-CD2 4.09Å; N777-L881 HydrophobicContact CB-CG 4.14Å; N777-L881 PolarHBondContact N-O 3.48Å
778	R	90.1	Very high	83.7	Confident	90 Å²	90	42.7 Å²	42.7	34%	0.34	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	156.6	-172.7	59.8	-172	-179.1	-143.5	2.9	112.3	P815 V816 W864 L881 E1173	R778-P815 CarbonylContact C-O 3.56Å; R778-P815 WeakPolarHBondContact CA-O 3.49Å; R778-P815 WeakPolarHBondContact CB-O 3.48Å; R778-V816 HydrophobicContact CB-CB 4.42Å; R778-V816 HydrophobicContact CB-CG2 4.02Å; R778-W864 HydrophobicContact CG-CH2 3.98Å; R778-L881 HydrophobicContact CG-CB 3.9Å; R778-L881 HydrophobicContact CG-CD2 3.97Å; R778-L881 PolarHBondContact O-N 3.26Å; R778-E1173 IonicContact NH2-OE1 3.77Å; R778-E1173 PolarHBondContact NH2-OE1 3.34Å
779	A	91.1	Very high	82.7	Confident	3 Å²	3	44.6 Å²	44.6	3%	0.025	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	159.3	163.7	0	0	0	0	0	111	L782 N814 P815 W817 I836 S879 I880	A779-L782 HydrophobicContact CB-CD1 4.07Å; A779-L782 HydrophobicContact CB-CD2 4.16Å; A779-L782 HydrophobicContact CB-CG 4.19Å; A779-N814 CarbonylContact O-C 3.58Å; A779-N814 VanDerWaalsContact O-CA 3.26Å; A779-N814 WeakPolarHBondContact O-CA 3.33Å; A779-P815 HydrophobicContact CB-CG 3.93Å; A779-P815 PolarHBondContact N-O 3.24Å; A779-W817 HydrophobicContact CB-CH2 4.19Å; A779-W817 HydrophobicContact CB-CZ3 3.8Å; A779-I836 HydrophobicContact CB-CD1 4Å; A779-S879 CarbonylContact C-O 3.54Å; A779-S879 WeakPolarHBondContact CA-O 3.43Å; A779-S879 WeakPolarHBondContact CB-O 3.19Å; A779-I880 HydrophobicContact CB-CB 4.35Å; A779-I880 HydrophobicContact CB-CG1 4.29Å
780	S	88.6	Confident	81.7	Confident	12 Å²	12	50.2 Å²	50.2	8%	0.084	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.5	177.2	79.2	0	0	0	0	112.2	L782 N814 G878 S879	S780-L782 PolarHBondContact O-N 2.85Å; S780-N814 VanDerWaalsContact CA-OD1 3.26Å; S780-N814 WeakPolarHBondContact CA-OD1 3.5Å; S780-G878 CarbonylContact O-C 3.56Å; S780-G878 WeakPolarHBondContact O-CA 3.33Å; S780-S879 PolarHBondContact N-O 3.33Å; S780-S879 PolarHBondContact O-N 2.97Å; S780-S879 PolarHBondContact OG-OG 2.91Å
781	N	85.7	Confident	80.9	Confident	84 Å²	84	50.3 Å²	50.3	45%	0.449	26%	0.256	S	S	.	.	S	Bend	trans	55.7	34	174.4	-63.3	-29.2	0	0	0	114.1	N814 G878 S1168	N781-N814 PolarHBondContact N-OD1 2.92Å; N781-G878 VanDerWaalsContact O-CA 3.24Å; N781-G878 WeakPolarHBondContact O-CA 3.17Å; N781-G878 PolarHBondContact O-N 2.86Å; N781-S1168 PolarHBondContact ND2-OG 3.16Å
782	L	86.3	Confident	80.6	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.042	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-66.6	137.4	175.1	-60.7	-179.6	0	0	0	110.6	A779 S780 A784 V793 A813 P815 I836 T847 L867	A779-L782 HydrophobicContact CB-CD1 4.07Å; A779-L782 HydrophobicContact CB-CD2 4.16Å; A779-L782 HydrophobicContact CB-CG 4.19Å; S780-L782 PolarHBondContact O-N 2.85Å; L782-A784 PolarHBondContact O-N 3.23Å; L782-V793 HydrophobicContact CD1-CB 4.28Å; L782-V793 HydrophobicContact CD1-CG1 4.13Å; L782-V793 HydrophobicContact CD1-CG2 4.07Å; L782-A813 WeakPolarHBondContact CB-O 3.25Å; L782-A813 WeakPolarHBondContact CG-O 3.33Å; L782-A813 PolarHBondContact N-O 2.93Å; L782-P815 HydrophobicContact CD1-CG 3.81Å; L782-I836 HydrophobicContact CD1-CG2 4.03Å; L782-I836 HydrophobicContact CD2-CD1 3.86Å; L782-I836 HydrophobicContact CD2-CG2 4.3Å; L782-T847 HydrophobicContact CB-CG2 4.49Å; L782-T847 HydrophobicContact CD2-CG2 4.4Å; L782-L867 HydrophobicContact CD2-CD1 3.49Å; L782-L867 VanDerWaalsContact CD2-CD1 3.49Å
783	P	79.5	Confident	80.4	Confident	50 Å²	50	52.8 Å²	52.8	33%	0.325	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-71.1	123.2	177.5	29.2	-34.5	0	0	0	110.5	T847 K877	P783-T847 HydrophobicContact CG-CG2 3.72Å; P783-K877 HydrophobicContact CB-CB 4.1Å; P783-K877 HydrophobicContact CB-CD 4.27Å; P783-K877 VanDerWaalsContact CD-O 3.26Å; P783-K877 WeakPolarHBondContact CD-O 3.47Å; P783-K877 HydrophobicContact CG-CB 3.95Å
784	A	71.6	Confident	80.3	Confident	42 Å²	42	52.8 Å²	52.8	35%	0.347	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-88.8	131.9	175.8	0	0	0	0	0	111.9	L782 S791	L782-A784 PolarHBondContact O-N 3.23Å; A784-S791 VanDerWaalsContact CA-OG 3.26Å; A784-S791 WeakPolarHBondContact CA-OG 3.2Å; A784-S791 WeakPolarHBondContact CB-OG 3.49Å
785	K	65.7	Low	80.3	Confident	141 Å²	141	52.8 Å²	52.8	61%	0.613	27%	0.269	S	S	*	.			trans	-89.7	-31.3	-178.8	-168.3	175.4	-177.2	179	0	113.6	E838 E845	K785-E838 WeakPolarHBondContact CB-OE2 3.37Å; K785-E845 IonicContact NZ-OE2 2.8Å; K785-E845 PolarHBondContact NZ-OE2 3.08Å
786	D	63.1	Low	80.5	Confident	107 Å²	107	52.7 Å²	52.7	57%	0.572	27%	0.269	S	S	*	.	S	Bend	trans	-73.6	141.6	177.2	-100.9	9	0	0	0	111.8	S788 G789	D786-S788 PolarHBondContact O-N 2.95Å; D786-G789 PolarHBondContact O-N 3.04Å
787	R	61.9	Low	80.6	Confident	271 Å²	271	52.7 Å²	52.7	100%	1.023	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-7.6	173.7	-66.7	-175.9	178.8	-177.9	-1	114.5
788	S	63.2	Low	80.8	Confident	73 Å²	73	53.3 Å²	53.3	51%	0.51	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.6	175.9	66.8	0	0	0	0	113.9	D786 K790	D786-S788 PolarHBondContact O-N 2.95Å; S788-K790 PolarHBondContact O-N 3.15Å; S788-K790 PolarHBondContact OG-N 3.03Å
789	G	64.3	Low	80.9	Confident	45 Å²	45	49.3 Å²	49.3	46%	0.464	26%	0.256	S	S	.	.	S	Bend	trans	69.2	16	-174.7	0	0	0	0	0	114.3	D786	D786-G789 PolarHBondContact O-N 3.04Å
790	K	68.2	Low	80.8	Confident	118 Å²	118	50.3 Å²	50.3	51%	0.513	26%	0.262	S	S	.	.			trans	-131.1	109.4	-168.7	-72.7	-179.4	177.2	-175	0	111.9	S788 K811	S788-K790 PolarHBondContact O-N 3.15Å; S788-K790 PolarHBondContact OG-N 3.03Å; K790-K811 HydrophobicContact CB-CB 3.91Å; K790-K811 HydrophobicContact CB-CG 4.37Å; K790-K811 HydrophobicContact CD-CB 4.28Å; K790-K811 HydrophobicContact CG-CB 4.46Å; K790-K811 WeakPolarHBondContact CG-O 3.42Å
791	S	73.8	Confident	80.7	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.014	26%	0.26	C	S	.	.			trans	-101.4	149.6	-177.8	-66.5	0	0	0	0	113.2	A784 K811 N812 E838	A784-S791 VanDerWaalsContact CA-OG 3.26Å; A784-S791 WeakPolarHBondContact CA-OG 3.2Å; A784-S791 WeakPolarHBondContact CB-OG 3.49Å; S791-K811 CarbonylContact O-C 3.48Å; S791-K811 WeakPolarHBondContact O-CA 3.15Å; S791-K811 PolarHBondContact O-N 2.8Å; S791-N812 PolarHBondContact O-N 3.04Å; S791-E838 WeakPolarHBondContact CB-OE1 3.47Å; S791-E838 PolarHBondContact OG-OE1 3.35Å
792	N	86.2	Confident	81	Confident	52 Å²	52	46.8 Å²	46.8	28%	0.278	24%	0.241	S	C	.	.			trans	-96.5	109.5	170	-62.7	-32.4	0	0	0	107.9	T808 A809 Q810 K811 E838 E839	N792-T808 HydrophobicContact CB-CG2 3.84Å; N792-A809 WeakPolarHBondContact CA-O 3.35Å; N792-Q810 WeakPolarHBondContact OD1-CA 3.2Å; N792-K811 PolarHBondContact OD1-N 2.88Å; N792-E838 CarbonylContact O-C 3.5Å; N792-E838 WeakPolarHBondContact O-CA 3.47Å; N792-E839 HydrophobicContact CB-CB 4.3Å; N792-E839 PolarHBondContact O-N 3.45Å
793	V	89.3	Confident	81.3	Confident	1 Å²	1	47 Å²	47	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	141.1	-167.5	-75.3	0	0	0	0	112.8	L782 A809 N812 P815 W817 Y837 E838	L782-V793 HydrophobicContact CD1-CB 4.28Å; L782-V793 HydrophobicContact CD1-CG1 4.13Å; L782-V793 HydrophobicContact CD1-CG2 4.07Å; V793-A809 HydrophobicContact CG2-CB 4.42Å; V793-A809 PolarHBondContact N-O 3.04Å; V793-A809 PolarHBondContact O-N 2.99Å; V793-N812 WeakPolarHBondContact CG2-O 3.28Å; V793-P815 HydrophobicContact CG2-CB 3.82Å; V793-P815 HydrophobicContact CG2-CG 3.67Å; V793-W817 HydrophobicContact CB-CZ2 4.43Å; V793-W817 HydrophobicContact CG2-CZ2 4.3Å; V793-Y837 WeakPolarHBondContact CA-O 3.17Å; V793-E838 HydrophobicContact CG1-CB 4.45Å
794	F	91.7	Very high	81.9	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153	173.3	65	-83.9	0	0	0	110.3	R559 R805 Y837 E839	R559-F794 VanDerWaalsContact NH2-CE1 3.28Å; F794-R805 HydrophobicContact CD2-CG 4.26Å; F794-R805 HydrophobicContact CE2-CG 4.42Å; F794-Y837 AromaticContact CE2-CD2 3.87Å; F794-Y837 HydrophobicContact CE2-CD2 3.87Å; F794-Y837 HydrophobicContact CE2-CG 4.11Å; F794-Y837 HydrophobicContact CZ-CD2 4.16Å; F794-Y837 AromaticContact CZ-CG 3.92Å; F794-Y837 HydrophobicContact CZ-CG 3.92Å; F794-Y837 PolarHBondContact N-O 3.15Å; F794-Y837 PolarHBondContact O-N 3.18Å; F794-E839 HydrophobicContact CD1-CB 4.2Å; F794-E839 HydrophobicContact CE1-CB 4.04Å
795	C	93.5	Very high	82.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.8	173	-171.9	0	0	0	0	109.2	V776 R805 T806 W817 V834 Y835	V776-C795 HydrophobicContact CG1-CB 4.1Å; C795-R805 CarbonylContact O-C 3.5Å; C795-R805 WeakPolarHBondContact O-CA 3.44Å; C795-T806 HydrophobicContact CB-CG2 4Å; C795-T806 PolarHBondContact N-OG1 3.5Å; C795-T806 PolarHBondContact O-N 3.43Å; C795-W817 HydrophobicContact CB-CH2 4.2Å; C795-W817 HydrophobicContact CB-CZ2 4.35Å; C795-W817 HydrophobicContact CB-CZ3 4.31Å; C795-V834 VanDerWaalsContact SG-CG1 3.51Å; C795-Y835 CarbonylContact C-O 3.53Å; C795-Y835 WeakPolarHBondContact CA-O 3.41Å
796	E	94.3	Very high	84.2	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.9	170.5	179.8	174.7	124.1	0	0	109.2	R644 R798 V803 V804 R805 Y835 Y837	R644-E796 IonicContact CZ-OE1 2.8Å; R644-E796 IonicContact CZ-OE2 2.99Å; R644-E796 IonicContact NH1-OE1 2.72Å; R644-E796 PolarHBondContact NH1-OE1 2.68Å; R644-E796 IonicContact NH1-OE2 3.64Å; R644-E796 VanDerWaalsContact NH2-CD 3.28Å; R644-E796 IonicContact NH2-OE1 3.57Å; R644-E796 PolarHBondContact NH2-OE1 2.95Å; R644-E796 IonicContact NH2-OE2 3.02Å; R644-E796 PolarHBondContact NH2-OE2 2.74Å; E796-R798 HydrophobicContact CG-CG 4.45Å; E796-R798 IonicContact OE1-CZ 2.93Å; E796-R798 IonicContact OE1-NE 3.1Å; E796-R798 PolarHBondContact OE1-NE 2.9Å; E796-R798 IonicContact OE1-NH2 3.68Å; E796-R798 PolarHBondContact OE1-NH2 2.82Å; E796-V803 HydrophobicContact CG-CG1 3.65Å; E796-V804 WeakPolarHBondContact CA-O 3.41Å; E796-R805 HydrophobicContact CB-CG 3.9Å; E796-R805 HydrophobicContact CG-CG 3.92Å; E796-R805 IonicContact OE2-CZ 3.28Å; E796-R805 IonicContact OE2-NE 2.63Å; E796-R805 PolarHBondContact OE2-NE 2.84Å; E796-R805 IonicContact OE2-NH2 2.66Å; E796-R805 PolarHBondContact OE2-NH2 3.21Å; E796-Y835 PolarHBondContact N-O 2.94Å; E796-Y835 PolarHBondContact O-N 3.18Å; E796-Y837 HydrophobicContact CB-CD2 4.08Å; E796-Y837 HydrophobicContact CB-CE2 4Å
797	I	94.9	Very high	85.3	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.4	176.9	-54.9	163.9	0	0	0	108.2	V774 V776 V803 V804 F821 F823 L832 E833	V774-I797 HydrophobicContact CB-CD1 4.48Å; V774-I797 HydrophobicContact CG1-CD1 4Å; V776-I797 HydrophobicContact CG2-CD1 3.45Å; V776-I797 VanDerWaalsContact CG2-CD1 3.45Å; V776-I797 HydrophobicContact CG2-CG1 4.28Å; I797-V803 WeakPolarHBondContact O-CA 3.38Å; I797-V804 HydrophobicContact CB-CG2 3.99Å; I797-V804 HydrophobicContact CD1-CG2 4.34Å; I797-V804 PolarHBondContact N-O 3Å; I797-V804 PolarHBondContact O-N 2.87Å; I797-F821 HydrophobicContact CD1-CD2 3.62Å; I797-F821 HydrophobicContact CD1-CE2 4.04Å; I797-F821 HydrophobicContact CD1-CG 4.45Å; I797-F823 HydrophobicContact CB-CZ 4.04Å; I797-F823 HydrophobicContact CG2-CE2 3.9Å; I797-F823 HydrophobicContact CG2-CZ 3.6Å; I797-L832 HydrophobicContact CG2-CD1 3.54Å; I797-L832 HydrophobicContact CG2-CD2 4.23Å; I797-L832 HydrophobicContact CG2-CG 3.94Å; I797-E833 CarbonylContact C-O 3.49Å; I797-E833 WeakPolarHBondContact CA-O 3.41Å
798	R	93.5	Very high	86.5	Confident	20 Å²	20	21.1 Å²	21.1	8%	0.075	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.4	173.1	-49.2	-171.9	-179.1	167.1	-2.1	110.1	E796 R802 V803 E833 Y835 Y837 E908	E796-R798 HydrophobicContact CG-CG 4.45Å; E796-R798 IonicContact OE1-CZ 2.93Å; E796-R798 IonicContact OE1-NE 3.1Å; E796-R798 PolarHBondContact OE1-NE 2.9Å; E796-R798 IonicContact OE1-NH2 3.68Å; E796-R798 PolarHBondContact OE1-NH2 2.82Å; R798-R802 CarbonylContact C-O 3.59Å; R798-R802 WeakPolarHBondContact CA-O 3.41Å; R798-V803 HydrophobicContact CB-CG2 4.33Å; R798-V803 HydrophobicContact CG-CG1 4.17Å; R798-V803 HydrophobicContact CG-CG2 4Å; R798-E833 HydrophobicContact CB-CB 4.31Å; R798-E833 PolarHBondContact N-O 2.97Å; R798-E833 PolarHBondContact O-N 3.42Å; R798-Y835 HydrophobicContact CG-CD2 4.11Å; R798-Y835 HydrophobicContact CG-CE2 3.87Å; R798-Y837 PolarHBondContact NH2-OH 3.45Å; R798-E908 IonicContact CZ-OE2 3.96Å; R798-E908 IonicContact NH1-OE2 2.72Å; R798-E908 PolarHBondContact NH1-OE2 3.05Å; R798-E908 IonicContact NH2-OE2 2.84Å; R798-E908 PolarHBondContact NH2-OE2 3.2Å
799	L	92.8	Very high	87.5	Confident	5 Å²	5	18 Å²	18	3%	0.026	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	96.4	164.6	-172.2	67.3	0	0	0	109.3	L772 N801 R802 F823 L832 L854	L772-L799 HydrophobicContact CD2-CD2 4.12Å; L799-N801 PolarHBondContact O-N 2.65Å; L799-R802 PolarHBondContact N-O 2.94Å; L799-R802 PolarHBondContact O-N 3.02Å; L799-F823 HydrophobicContact CB-CD1 3.86Å; L799-F823 HydrophobicContact CB-CE1 4.16Å; L799-F823 HydrophobicContact CB-CG 4.35Å; L799-F823 HydrophobicContact CD2-CB 3.65Å; L799-F823 HydrophobicContact CD2-CD1 4.3Å; L799-F823 HydrophobicContact CD2-CG 4.13Å; L799-L832 HydrophobicContact CB-CD1 4.01Å; L799-L832 HydrophobicContact CD1-CB 4.49Å; L799-L832 HydrophobicContact CD1-CD1 3.98Å; L799-L832 HydrophobicContact CG-CD1 4.5Å; L799-L854 HydrophobicContact CD1-CD1 4.16Å; L799-L854 HydrophobicContact CD1-CD2 4.08Å; L799-L854 HydrophobicContact CD1-CG 4.31Å
800	V	88.4	Confident	88.4	Confident	24 Å²	24	22.7 Å²	22.7	15%	0.145	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-87.3	-173.7	-166	0	0	0	0	113.5	E902 R904	V800-E902 WeakPolarHBondContact CB-OE2 3.09Å; V800-E902 HydrophobicContact CG1-CB 4.12Å; V800-E902 HydrophobicContact CG1-CG 4.07Å; V800-E902 VanDerWaalsContact CG1-OE2 3.27Å; V800-E902 WeakPolarHBondContact CG1-OE2 3.33Å; V800-R904 HydrophobicContact CG1-CG 4.05Å
801	N	87.9	Confident	89	Confident	10 Å²	10	23.6 Å²	23.6	5%	0.053	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-10.5	177.9	-73.8	-41.1	0	0	0	113.5	L509 L799 E902 K903 R904 L905	L509-N801 HydrophobicContact CD1-CB 4.15Å; L799-N801 PolarHBondContact O-N 2.65Å; N801-E902 PolarHBondContact ND2-OE1 3.16Å; N801-K903 PolarHBondContact ND2-O 3.15Å; N801-R904 WeakPolarHBondContact OD1-CA 3.14Å; N801-L905 PolarHBondContact OD1-N 2.99Å
802	R	90.5	Very high	89.2	Confident	12 Å²	12	26.5 Å²	26.5	5%	0.045	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135	173.6	-62.1	-179.9	173.1	93.4	15.5	109.6	T687 R798 L799 F823 P824 E826	T687-R802 WeakPolarHBondContact OG1-CA 3.48Å; R798-R802 CarbonylContact C-O 3.59Å; R798-R802 WeakPolarHBondContact CA-O 3.41Å; L799-R802 PolarHBondContact N-O 2.94Å; L799-R802 PolarHBondContact O-N 3.02Å; R802-F823 HydrophobicContact CB-CD1 3.96Å; R802-F823 HydrophobicContact CB-CE1 4.17Å; R802-P824 PolarHBondContact NH1-O 2.89Å; R802-E826 IonicContact CZ-OE1 2.85Å; R802-E826 VanDerWaalsContact CZ-OE1 3.27Å; R802-E826 IonicContact NH1-OE1 2.97Å; R802-E826 PolarHBondContact NH1-OE1 3.02Å; R802-E826 IonicContact NH2-OE1 2.74Å; R802-E826 PolarHBondContact NH2-OE1 2.77Å
803	V	92.1	Very high	88.9	Confident	14 Å²	14	25.1 Å²	25.1	9%	0.085	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	128.4	-179.1	-173.8	0	0	0	0	110.7	I561 T687 T708 E796 I797 R798	I561-V803 HydrophobicContact CD1-CG1 4.03Å; T687-V803 PolarHBondContact OG1-N 2.83Å; T687-V803 PolarHBondContact OG1-O 2.7Å; T708-V803 WeakPolarHBondContact CB-O 3.5Å; T708-V803 WeakPolarHBondContact CG2-O 3.28Å; T708-V803 PolarHBondContact OG1-O 3.21Å; E796-V803 HydrophobicContact CG-CG1 3.65Å; I797-V803 WeakPolarHBondContact O-CA 3.38Å; R798-V803 HydrophobicContact CB-CG2 4.33Å; R798-V803 HydrophobicContact CG-CG1 4.17Å; R798-V803 HydrophobicContact CG-CG2 4Å
804	V	93.2	Very high	88.7	Confident	3 Å²	3	28.9 Å²	28.9	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	165.9	175.9	-50.8	0	0	0	0	110.3	D685 E796 I797 F821 F823	D685-V804 HydrophobicContact CB-CG1 4.43Å; D685-V804 WeakPolarHBondContact O-CG1 3.23Å; E796-V804 WeakPolarHBondContact CA-O 3.41Å; I797-V804 HydrophobicContact CB-CG2 3.99Å; I797-V804 HydrophobicContact CD1-CG2 4.34Å; I797-V804 PolarHBondContact N-O 3Å; I797-V804 PolarHBondContact O-N 2.87Å; V804-F821 HydrophobicContact CB-CD1 3.83Å; V804-F821 HydrophobicContact CB-CE1 4.05Å; V804-F821 HydrophobicContact CB-CG 4.4Å; V804-F821 HydrophobicContact CG1-CD1 4.36Å; V804-F821 HydrophobicContact CG2-CB 4.02Å; V804-F821 HydrophobicContact CG2-CD1 3.51Å; V804-F821 HydrophobicContact CG2-CD2 4.06Å; V804-F821 HydrophobicContact CG2-CE1 3.91Å; V804-F821 HydrophobicContact CG2-CE2 4.41Å; V804-F821 HydrophobicContact CG2-CG 3.58Å; V804-F821 HydrophobicContact CG2-CZ 4.34Å; V804-F823 HydrophobicContact CG1-CE1 4.17Å; V804-F823 HydrophobicContact CG1-CZ 4.25Å; V804-F823 HydrophobicContact CG2-CE1 4.3Å; V804-F823 HydrophobicContact CG2-CE2 4.42Å; V804-F823 HydrophobicContact CG2-CZ 3.61Å
805	R	92.9	Very high	88.5	Confident	10 Å²	10	28.9 Å²	28.9	4%	0.038	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146	179.4	-69	-178.8	174.9	173.5	0.5	112.8	R559 I561 R644 E646 T710 G711 F794 C795 E796 F821	R559-R805 VanDerWaalsContact NH1-NH1 3.14Å; I561-R805 HydrophobicContact CD1-CG 4.24Å; R644-R805 VanDerWaalsContact NH2-NH2 3.18Å; E646-R805 IonicContact OE1-NH1 3.56Å; E646-R805 PolarHBondContact OE1-NH1 3.39Å; E646-R805 IonicContact OE2-CZ 2.66Å; E646-R805 VanDerWaalsContact OE2-CZ 3.25Å; E646-R805 IonicContact OE2-NH1 3.98Å; E646-R805 PolarHBondContact OE2-NH1 2.6Å; E646-R805 IonicContact OE2-NH2 3.93Å; E646-R805 PolarHBondContact OE2-NH2 3.42Å; T710-R805 HydrophobicContact CG2-CB 4.07Å; T710-R805 HydrophobicContact CG2-CG 4.3Å; T710-R805 PolarHBondContact OG1-N 2.91Å; T710-R805 PolarHBondContact OG1-O 3.17Å; G711-R805 WeakPolarHBondContact CA-O 3.41Å; G711-R805 PolarHBondContact N-O 3.37Å; G711-R805 VanDerWaalsContact N-O 3.13Å; F794-R805 HydrophobicContact CD2-CG 4.26Å; F794-R805 HydrophobicContact CE2-CG 4.42Å; C795-R805 CarbonylContact O-C 3.5Å; C795-R805 WeakPolarHBondContact O-CA 3.44Å; E796-R805 HydrophobicContact CB-CG 3.9Å; E796-R805 HydrophobicContact CG-CG 3.92Å; E796-R805 IonicContact OE2-CZ 3.28Å; E796-R805 IonicContact OE2-NE 2.63Å; E796-R805 PolarHBondContact OE2-NE 2.84Å; E796-R805 IonicContact OE2-NH2 2.66Å; E796-R805 PolarHBondContact OE2-NH2 3.21Å; R805-F821 WeakPolarHBondContact O-CZ 3.29Å
806	T	91.6	Very high	88.3	Confident	1 Å²	1	32 Å²	32	1%	0.006	17%	0.165	C	C	.	.			trans	-71.8	163.3	162.4	65.7	0	0	0	0	111.5	V776 C795 W817 Q819 F821	V776-T806 HydrophobicContact CB-CG2 4.02Å; V776-T806 HydrophobicContact CG1-CG2 4.03Å; V776-T806 HydrophobicContact CG2-CG2 4.32Å; C795-T806 HydrophobicContact CB-CG2 4Å; C795-T806 PolarHBondContact N-OG1 3.5Å; C795-T806 PolarHBondContact O-N 3.43Å; T806-W817 VanDerWaalsContact CB-CD1 3.48Å; T806-W817 HydrophobicContact CG2-CB 3.95Å; T806-W817 HydrophobicContact CG2-CD2 4.4Å; T806-W817 HydrophobicContact CG2-CG 3.93Å; T806-W817 VanDerWaalsContact OG1-CD1 3.23Å; T806-W817 PolarHBondContact OG1-NE1 2.93Å; T806-W817 VanDerWaalsContact OG1-NE1 3.07Å; T806-Q819 VanDerWaalsContact CA-OE1 3.26Å; T806-Q819 HydrophobicContact CG2-CB 4.28Å; T806-F821 HydrophobicContact CG2-CE2 3.79Å; T806-F821 HydrophobicContact CG2-CZ 3.96Å
807	F	87.2	Confident	88	Confident	28 Å²	28	32 Å²	32	12%	0.123	17%	0.165	C	C	.	.			trans	-61.1	155.7	168.5	66.2	-85.4	0	0	0	111.9	Y737 A809 W817	Y737-F807 AromaticContact CE1-CE1 3.96Å; Y737-F807 HydrophobicContact CE1-CE1 3.96Å; Y737-F807 AromaticContact CE1-CZ 3.92Å; Y737-F807 HydrophobicContact CE1-CZ 3.92Å; Y737-F807 AromaticContact CZ-CE1 3.89Å; Y737-F807 WeakPolarHBondContact OH-CE1 3.34Å; F807-A809 HydrophobicContact CE2-CB 4.35Å; F807-A809 PolarHBondContact O-N 2.83Å; F807-W817 HydrophobicContact CE1-CB 4.08Å; F807-W817 AromaticContact CE1-CD1 3.67Å; F807-W817 HydrophobicContact CE1-CG 4.29Å; F807-W817 HydrophobicContact CZ-CB 4.42Å; F807-W817 AromaticContact CZ-CD1 3.69Å; F807-W817 HydrophobicContact CZ-CG 4.38Å; F807-W817 PolarHBondContact O-NE1 2.88Å
808	T	86.7	Confident	87.6	Confident	24 Å²	24	33.9 Å²	33.9	15%	0.147	18%	0.175	C	C	.	.			trans	-73	108.4	172.8	-51.2	0	0	0	0	110	R559 N792 Q810 E839	R559-T808 PolarHBondContact NH2-OG1 2.86Å; N792-T808 HydrophobicContact CB-CG2 3.84Å; T808-Q810 PolarHBondContact O-N 2.94Å; T808-E839 WeakPolarHBondContact CB-OE2 3.37Å; T808-E839 HydrophobicContact CG2-CB 4.28Å; T808-E839 VanDerWaalsContact CG2-OE2 3.29Å; T808-E839 WeakPolarHBondContact CG2-OE2 3.45Å; T808-E839 PolarHBondContact OG1-OE2 2.81Å
809	A	85.2	Confident	87.4	Confident	9 Å²	9	33.5 Å²	33.5	7%	0.074	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-70.5	110.5	165.9	0	0	0	0	0	108.3	N792 V793 F807 P815	N792-A809 WeakPolarHBondContact CA-O 3.35Å; V793-A809 HydrophobicContact CG2-CB 4.42Å; V793-A809 PolarHBondContact N-O 3.04Å; V793-A809 PolarHBondContact O-N 2.99Å; F807-A809 HydrophobicContact CE2-CB 4.35Å; F807-A809 PolarHBondContact O-N 2.83Å; A809-P815 HydrophobicContact CB-CB 3.57Å
810	Q	82.8	Confident	87.2	Confident	143 Å²	143	33.5 Å²	33.5	67%	0.668	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	139.5	-176.1	-65.2	-167.4	30.5	0	0	112.1	N792 T808 N812	N792-Q810 WeakPolarHBondContact OD1-CA 3.2Å; T808-Q810 PolarHBondContact O-N 2.94Å; Q810-N812 VanDerWaalsContact C-N 3.25Å; Q810-N812 PolarHBondContact O-N 2.96Å; Q810-N812 VanDerWaalsContact O-N 3.15Å
811	K	79.8	Confident	87.4	Confident	136 Å²	136	32.5 Å²	32.5	59%	0.591	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	33	168.9	-64.5	178.6	-175.9	170.5	0	115.4	K790 S791 N792	K790-K811 HydrophobicContact CB-CB 3.91Å; K790-K811 HydrophobicContact CB-CG 4.37Å; K790-K811 HydrophobicContact CD-CB 4.28Å; K790-K811 HydrophobicContact CG-CB 4.46Å; K790-K811 WeakPolarHBondContact CG-O 3.42Å; S791-K811 CarbonylContact O-C 3.48Å; S791-K811 WeakPolarHBondContact O-CA 3.15Å; S791-K811 PolarHBondContact O-N 2.8Å; N792-K811 PolarHBondContact OD1-N 2.88Å
812	N	79	Confident	87.6	Confident	63 Å²	63	32.3 Å²	32.3	34%	0.337	17%	0.167	S	C	.	.			trans	-132.8	122.3	-175.8	-172.8	3.5	0	0	0	112	S791 V793 Q810 N814	S791-N812 PolarHBondContact O-N 3.04Å; V793-N812 WeakPolarHBondContact CG2-O 3.28Å; Q810-N812 VanDerWaalsContact C-N 3.25Å; Q810-N812 PolarHBondContact O-N 2.96Å; Q810-N812 VanDerWaalsContact O-N 3.15Å; N812-N814 PolarHBondContact ND2-O 3.15Å; N812-N814 VanDerWaalsContact OD1-C 3.32Å; N812-N814 WeakPolarHBondContact OD1-CA 3.32Å; N812-N814 PolarHBondContact OD1-N 3.37Å; N812-N814 PolarHBondContact OD1-O 3.4Å
813	A	79.7	Confident	87.6	Confident	23 Å²	23	31.9 Å²	31.9	19%	0.19	17%	0.165	C	C	.	.	S	Bend	trans	-83.9	-11.6	176	0	0	0	0	0	113.9	L782 P815	L782-A813 WeakPolarHBondContact CB-O 3.25Å; L782-A813 WeakPolarHBondContact CG-O 3.33Å; L782-A813 PolarHBondContact N-O 2.93Å; A813-P815 VanDerWaalsContact C-CD 3.42Å; A813-P815 WeakPolarHBondContact O-CD 3.19Å
814	N	85.7	Confident	87.6	Confident	81 Å²	81	31.4 Å²	31.4	43%	0.433	16%	0.163	S	C	.	.	S	Bend	trans	-122.4	65.3	173.8	-61.1	-46.9	0	0	0	109.3	A779 S780 N781 N812	A779-N814 CarbonylContact O-C 3.58Å; A779-N814 VanDerWaalsContact O-CA 3.26Å; A779-N814 WeakPolarHBondContact O-CA 3.33Å; S780-N814 VanDerWaalsContact CA-OD1 3.26Å; S780-N814 WeakPolarHBondContact CA-OD1 3.5Å; N781-N814 PolarHBondContact N-OD1 2.92Å; N812-N814 PolarHBondContact ND2-O 3.15Å; N812-N814 VanDerWaalsContact OD1-C 3.32Å; N812-N814 WeakPolarHBondContact OD1-CA 3.32Å; N812-N814 PolarHBondContact OD1-N 3.37Å; N812-N814 PolarHBondContact OD1-O 3.4Å
815	P	87.5	Confident	87.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.			trans	-67.5	141	-174.3	31.8	-39.1	0	0	0	111.7	R778 A779 L782 V793 A809 A813 W817	R778-P815 CarbonylContact C-O 3.56Å; R778-P815 WeakPolarHBondContact CA-O 3.49Å; R778-P815 WeakPolarHBondContact CB-O 3.48Å; A779-P815 HydrophobicContact CB-CG 3.93Å; A779-P815 PolarHBondContact N-O 3.24Å; L782-P815 HydrophobicContact CD1-CG 3.81Å; V793-P815 HydrophobicContact CG2-CB 3.82Å; V793-P815 HydrophobicContact CG2-CG 3.67Å; A809-P815 HydrophobicContact CB-CB 3.57Å; A813-P815 VanDerWaalsContact C-CD 3.42Å; A813-P815 WeakPolarHBondContact O-CD 3.19Å; P815-W817 HydrophobicContact CB-CD2 4.29Å; P815-W817 HydrophobicContact CB-CE3 4.43Å; P815-W817 HydrophobicContact CB-CH2 4Å; P815-W817 HydrophobicContact CB-CZ2 3.78Å; P815-W817 HydrophobicContact CB-CZ3 4.31Å; P815-W817 HydrophobicContact CG-CE3 4.29Å; P815-W817 HydrophobicContact CG-CH2 3.36Å; P815-W817 HydrophobicContact CG-CZ2 3.63Å; P815-W817 HydrophobicContact CG-CZ3 3.72Å
816	V	88.7	Confident	87.2	Confident	65 Å²	65	32.5 Å²	32.5	39%	0.394	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129	168	-177.3	0	0	0	0	106.9	R778 N818	R778-V816 HydrophobicContact CB-CB 4.42Å; R778-V816 HydrophobicContact CB-CG2 4.02Å; V816-N818 WeakPolarHBondContact CG1-OD1 3.43Å
817	W	87.8	Confident	87.1	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-30.1	-179.2	-66.7	-71.4	0	0	0	113	Y737 V776 N777 A779 V793 C795 T806 F807 P815 Q819 I880	Y737-W817 WeakPolarHBondContact CE1-O 3.34Å; V776-W817 HydrophobicContact CG1-CB 4.36Å; V776-W817 HydrophobicContact CG1-CD2 4.28Å; V776-W817 HydrophobicContact CG1-CE3 3.64Å; V776-W817 HydrophobicContact CG1-CZ3 4.23Å; V776-W817 CarbonylContact O-C 3.31Å; N777-W817 PolarHBondContact O-N 3.49Å; A779-W817 HydrophobicContact CB-CH2 4.19Å; A779-W817 HydrophobicContact CB-CZ3 3.8Å; V793-W817 HydrophobicContact CB-CZ2 4.43Å; V793-W817 HydrophobicContact CG2-CZ2 4.3Å; C795-W817 HydrophobicContact CB-CH2 4.2Å; C795-W817 HydrophobicContact CB-CZ2 4.35Å; C795-W817 HydrophobicContact CB-CZ3 4.31Å; T806-W817 VanDerWaalsContact CB-CD1 3.48Å; T806-W817 HydrophobicContact CG2-CB 3.95Å; T806-W817 HydrophobicContact CG2-CD2 4.4Å; T806-W817 HydrophobicContact CG2-CG 3.93Å; T806-W817 VanDerWaalsContact OG1-CD1 3.23Å; T806-W817 PolarHBondContact OG1-NE1 2.93Å; T806-W817 VanDerWaalsContact OG1-NE1 3.07Å; F807-W817 HydrophobicContact CE1-CB 4.08Å; F807-W817 AromaticContact CE1-CD1 3.67Å; F807-W817 HydrophobicContact CE1-CG 4.29Å; F807-W817 HydrophobicContact CZ-CB 4.42Å; F807-W817 AromaticContact CZ-CD1 3.69Å; F807-W817 HydrophobicContact CZ-CG 4.38Å; F807-W817 PolarHBondContact O-NE1 2.88Å; P815-W817 HydrophobicContact CB-CD2 4.29Å; P815-W817 HydrophobicContact CB-CE3 4.43Å; P815-W817 HydrophobicContact CB-CH2 4Å; P815-W817 HydrophobicContact CB-CZ2 3.78Å; P815-W817 HydrophobicContact CB-CZ3 4.31Å; P815-W817 HydrophobicContact CG-CE3 4.29Å; P815-W817 HydrophobicContact CG-CH2 3.36Å; P815-W817 HydrophobicContact CG-CZ2 3.63Å; P815-W817 HydrophobicContact CG-CZ3 3.72Å; W817-Q819 WeakPolarHBondContact O-CB 3.32Å; W817-Q819 PolarHBondContact O-N 2.99Å; W817-I880 HydrophobicContact CZ3-CD1 4.38Å
818	N	87.4	Confident	87.2	Confident	40 Å²	40	31.8 Å²	31.8	21%	0.214	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	38.8	32.9	-179.5	-66.7	-5.6	0	0	0	115	Y737 L740 V776 N777 V816	Y737-N818 HydrophobicContact CD1-CB 3.98Å; Y737-N818 HydrophobicContact CE1-CB 4.23Å; Y737-N818 PolarHBondContact O-ND2 2.71Å; Y737-N818 VanDerWaalsContact O-ND2 3.09Å; L740-N818 HydrophobicContact CD1-CB 4.13Å; V776-N818 WeakPolarHBondContact O-CA 3.32Å; V776-N818 PolarHBondContact O-N 2.96Å; N777-N818 PolarHBondContact O-N 3.2Å; N777-N818 PolarHBondContact O-OD1 3.23Å; V816-N818 WeakPolarHBondContact CG1-OD1 3.43Å
819	Q	87.6	Confident	87.4	Confident	13 Å²	13	31.7 Å²	31.7	6%	0.061	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.7	-167.7	-169.6	173	5.8	0	0	110.2	S523 V776 T806 W817 F821	S523-Q819 PolarHBondContact OG-NE2 3.14Å; V776-Q819 PolarHBondContact N-O 3.36Å; V776-Q819 PolarHBondContact O-N 2.73Å; V776-Q819 VanDerWaalsContact O-N 3.17Å; T806-Q819 VanDerWaalsContact CA-OE1 3.26Å; T806-Q819 HydrophobicContact CG2-CB 4.28Å; W817-Q819 WeakPolarHBondContact O-CB 3.32Å; W817-Q819 PolarHBondContact O-N 2.99Å; Q819-F821 HydrophobicContact CB-CE2 4.24Å; Q819-F821 HydrophobicContact CB-CZ 4.32Å; Q819-F821 VanDerWaalsContact CD-CZ 3.45Å; Q819-F821 HydrophobicContact CG-CE1 4.22Å; Q819-F821 HydrophobicContact CG-CE2 3.97Å; Q819-F821 HydrophobicContact CG-CZ 3.66Å
820	A	90.1	Very high	87.7	Confident	4 Å²	4	31.4 Å²	31.4	3%	0.033	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	145.6	178.3	0	0	0	0	0	112.8	G521 T522 H773 V774 V775	G521-A820 WeakPolarHBondContact O-CB 3.24Å; T522-A820 WeakPolarHBondContact CB-O 3.44Å; T522-A820 HydrophobicContact CG2-CB 3.96Å; H773-A820 WeakPolarHBondContact NE2-CB 3.39Å; V774-A820 CarbonylContact O-C 3.59Å; V774-A820 VanDerWaalsContact O-CA 3.31Å; V774-A820 WeakPolarHBondContact O-CA 3.43Å; V775-A820 HydrophobicContact CB-CB 4.48Å; V775-A820 HydrophobicContact CG1-CB 4.26Å; V775-A820 HydrophobicContact CG2-CB 4.05Å
821	F	92	Very high	88.1	Confident	4 Å²	4	24.9 Å²	24.9	2%	0.018	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	141.6	175.9	-54.3	-84.8	0	0	0	110.1	D685 V774 V776 I797 V804 R805 T806 Q819 F823	D685-F821 HydrophobicContact CB-CD1 4.06Å; D685-F821 HydrophobicContact CB-CE1 4.31Å; V774-F821 PolarHBondContact N-O 3.21Å; V774-F821 PolarHBondContact O-N 3.02Å; V776-F821 HydrophobicContact CG2-CE2 4.31Å; I797-F821 HydrophobicContact CD1-CD2 3.62Å; I797-F821 HydrophobicContact CD1-CE2 4.04Å; I797-F821 HydrophobicContact CD1-CG 4.45Å; V804-F821 HydrophobicContact CB-CD1 3.83Å; V804-F821 HydrophobicContact CB-CE1 4.05Å; V804-F821 HydrophobicContact CB-CG 4.4Å; V804-F821 HydrophobicContact CG1-CD1 4.36Å; V804-F821 HydrophobicContact CG2-CB 4.02Å; V804-F821 HydrophobicContact CG2-CD1 3.51Å; V804-F821 HydrophobicContact CG2-CD2 4.06Å; V804-F821 HydrophobicContact CG2-CE1 3.91Å; V804-F821 HydrophobicContact CG2-CE2 4.41Å; V804-F821 HydrophobicContact CG2-CG 3.58Å; V804-F821 HydrophobicContact CG2-CZ 4.34Å; R805-F821 WeakPolarHBondContact O-CZ 3.29Å; T806-F821 HydrophobicContact CG2-CE2 3.79Å; T806-F821 HydrophobicContact CG2-CZ 3.96Å; Q819-F821 HydrophobicContact CB-CE2 4.24Å; Q819-F821 HydrophobicContact CB-CZ 4.32Å; Q819-F821 VanDerWaalsContact CD-CZ 3.45Å; Q819-F821 HydrophobicContact CG-CE1 4.22Å; Q819-F821 HydrophobicContact CG-CE2 3.97Å; Q819-F821 HydrophobicContact CG-CZ 3.66Å; F821-F823 HydrophobicContact CB-CE2 3.99Å; F821-F823 HydrophobicContact CB-CZ 4.48Å
822	V	91.4	Very high	88.8	Confident	6 Å²	6	18.4 Å²	18.4	4%	0.036	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	138.1	175.9	170.8	0	0	0	0	110.4	W514 T522 W771 L772 H773	W514-V822 HydrophobicContact CE3-CG1 4.33Å; W514-V822 HydrophobicContact CH2-CG1 3.87Å; W514-V822 HydrophobicContact CZ3-CG1 3.42Å; W514-V822 VanDerWaalsContact CZ3-CG1 3.42Å; T522-V822 HydrophobicContact CG2-CG2 3.83Å; W771-V822 HydrophobicContact CG-CG1 4.38Å; W771-V822 HydrophobicContact CZ2-CG2 4.17Å; W771-V822 VanDerWaalsContact NE1-CG1 3.31Å; L772-V822 CarbonylContact O-C 3.51Å; L772-V822 WeakPolarHBondContact O-CA 3.3Å; H773-V822 HydrophobicContact CB-CG2 4.2Å
823	F	92	Very high	89.5	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140.1	175.5	-59.9	-95.4	0	0	0	111.6	L772 V774 I797 L799 R802 V804 F821 I825	L772-F823 HydrophobicContact CB-CB 4.35Å; L772-F823 HydrophobicContact CD2-CB 4.3Å; L772-F823 HydrophobicContact CD2-CD2 4.18Å; L772-F823 HydrophobicContact CG-CD2 4.45Å; L772-F823 PolarHBondContact N-O 2.79Å; L772-F823 PolarHBondContact O-N 3.28Å; V774-F823 HydrophobicContact CG2-CD2 4.22Å; V774-F823 HydrophobicContact CG2-CE2 4.15Å; I797-F823 HydrophobicContact CB-CZ 4.04Å; I797-F823 HydrophobicContact CG2-CE2 3.9Å; I797-F823 HydrophobicContact CG2-CZ 3.6Å; L799-F823 HydrophobicContact CB-CD1 3.86Å; L799-F823 HydrophobicContact CB-CE1 4.16Å; L799-F823 HydrophobicContact CB-CG 4.35Å; L799-F823 HydrophobicContact CD2-CB 3.65Å; L799-F823 HydrophobicContact CD2-CD1 4.3Å; L799-F823 HydrophobicContact CD2-CG 4.13Å; R802-F823 HydrophobicContact CB-CD1 3.96Å; R802-F823 HydrophobicContact CB-CE1 4.17Å; V804-F823 HydrophobicContact CG1-CE1 4.17Å; V804-F823 HydrophobicContact CG1-CZ 4.25Å; V804-F823 HydrophobicContact CG2-CE1 4.3Å; V804-F823 HydrophobicContact CG2-CE2 4.42Å; V804-F823 HydrophobicContact CG2-CZ 3.61Å; F821-F823 HydrophobicContact CB-CE2 3.99Å; F821-F823 HydrophobicContact CB-CZ 4.48Å; F823-I825 PolarHBondContact O-N 2.85Å
824	P	90.5	Very high	90.2	Very high	4 Å²	4	15 Å²	15	3%	0.026	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.5	162.4	-12.9	27.1	0	0	0	110.3	P512 W514 W686 R802 E826	P512-P824 HydrophobicContact CG-CB 3.75Å; P512-P824 HydrophobicContact CG-CG 3.58Å; W514-P824 HydrophobicContact CH2-CB 4.12Å; W514-P824 HydrophobicContact CH2-CG 3.94Å; W514-P824 HydrophobicContact CZ2-CB 4.34Å; W686-P824 HydrophobicContact CH2-CG 3.38Å; W686-P824 HydrophobicContact CZ2-CG 3.5Å; W686-P824 VanDerWaalsContact CZ2-CG 3.5Å; W686-P824 HydrophobicContact CZ3-CG 4.47Å; R802-P824 PolarHBondContact NH1-O 2.89Å; P824-E826 PolarHBondContact O-N 2.86Å
825	I	91	Very high	90.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	109.5	165.7	-52.8	175.3	0	0	0	106.8	V769 G770 L772 F823 M828 L854 I886 F888	V769-I825 WeakPolarHBondContact CA-O 3.36Å; V769-I825 VanDerWaalsContact CB-O 3.27Å; V769-I825 WeakPolarHBondContact CB-O 3.33Å; V769-I825 PolarHBondContact N-O 2.95Å; G770-I825 PolarHBondContact N-O 3.32Å; G770-I825 WeakPolarHBondContact O-CB 3.49Å; G770-I825 PolarHBondContact O-N 3.37Å; L772-I825 HydrophobicContact CB-CD1 3.98Å; L772-I825 HydrophobicContact CB-CG1 3.81Å; F823-I825 PolarHBondContact O-N 2.85Å; I825-M828 HydrophobicContact CD1-SD 4.35Å; I825-M828 HydrophobicContact CG2-SD 4.42Å; I825-L854 HydrophobicContact CB-CD1 4.5Å; I825-L854 HydrophobicContact CD1-CD1 4.22Å; I825-L854 HydrophobicContact CG1-CD1 3.99Å; I825-L854 HydrophobicContact CG2-CD1 3.9Å; I825-I886 HydrophobicContact CD1-CG2 3.69Å; I825-F888 HydrophobicContact CD1-CB 4.5Å
826	E	87.1	Confident	90.8	Very high	37 Å²	37	12.6 Å²	12.6	17%	0.173	7%	0.065	C	C	.	.	S	Bend	trans	-90.8	-15.8	166.8	-75	-178.8	-130.9	0	0	112.5	L509 R802 P824 R896	L509-E826 VanDerWaalsContact CD2-OE1 3.32Å; L509-E826 WeakPolarHBondContact CD2-OE1 3.35Å; R802-E826 IonicContact CZ-OE1 2.85Å; R802-E826 VanDerWaalsContact CZ-OE1 3.27Å; R802-E826 IonicContact NH1-OE1 2.97Å; R802-E826 PolarHBondContact NH1-OE1 3.02Å; R802-E826 IonicContact NH2-OE1 2.74Å; R802-E826 PolarHBondContact NH2-OE1 2.77Å; P824-E826 PolarHBondContact O-N 2.86Å; E826-R896 VanDerWaalsContact O-CD 3.24Å; E826-R896 WeakPolarHBondContact O-CD 3.43Å; E826-R896 WeakPolarHBondContact O-CG 3.17Å; E826-R896 PolarHBondContact O-NE 2.89Å
827	D	89.2	Confident	90.9	Very high	7 Å²	7	10.5 Å²	10.5	4%	0.037	5%	0.05	C	C	.	.			trans	-158.2	117.7	-177.2	-168.6	-22.6	0	0	0	109.8	Y829 S830 R896 R1151	D827-Y829 PolarHBondContact O-N 3.31Å; D827-Y829 PolarHBondContact OD1-N 2.91Å; D827-S830 VanDerWaalsContact O-CB 3.23Å; D827-S830 WeakPolarHBondContact O-CB 3.37Å; D827-S830 PolarHBondContact O-N 3.11Å; D827-S830 PolarHBondContact O-OG 2.83Å; D827-R896 HydrophobicContact CB-CG 4.37Å; D827-R1151 IonicContact OD1-NE 2.8Å; D827-R1151 PolarHBondContact OD1-NE 3.29Å; D827-R1151 IonicContact OD2-CZ 3.25Å; D827-R1151 IonicContact OD2-NE 2.71Å; D827-R1151 PolarHBondContact OD2-NE 2.92Å; D827-R1151 IonicContact OD2-NH2 2.94Å; D827-R1151 PolarHBondContact OD2-NH2 2.8Å
828	M	90.6	Very high	90.9	Very high	7 Å²	7	11.6 Å²	11.6	3%	0.034	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-13.8	-179.5	-163.9	64.7	-178	0	0	113.1	I825 L854 I855 I886 F888 A893	I825-M828 HydrophobicContact CD1-SD 4.35Å; I825-M828 HydrophobicContact CG2-SD 4.42Å; M828-L854 HydrophobicContact SD-CB 4.25Å; M828-I855 HydrophobicContact CE-CD1 3.99Å; M828-I855 HydrophobicContact CG-CD1 4.12Å; M828-I886 HydrophobicContact CE-CG2 3.97Å; M828-I886 HydrophobicContact SD-CG2 4.39Å; M828-F888 HydrophobicContact CE-CD1 3.61Å; M828-F888 HydrophobicContact CE-CD2 4.43Å; M828-F888 HydrophobicContact CE-CE1 3.44Å; M828-F888 VanDerWaalsContact CE-CE1 3.44Å; M828-F888 HydrophobicContact CE-CE2 4.27Å; M828-F888 HydrophobicContact CE-CG 4.12Å; M828-F888 HydrophobicContact CE-CZ 3.79Å; M828-F888 HydrophobicContact CG-CD2 4.15Å; M828-F888 HydrophobicContact CG-CE2 4.06Å; M828-F888 HydrophobicContact CG-CZ 4.41Å; M828-F888 HydrophobicContact SD-CB 4.32Å; M828-F888 HydrophobicContact SD-CD1 3.91Å; M828-F888 HydrophobicContact SD-CD2 3.98Å; M828-F888 HydrophobicContact SD-CE1 4.2Å; M828-F888 HydrophobicContact SD-CE2 4.26Å; M828-F888 HydrophobicContact SD-CG 3.8Å; M828-F888 HydrophobicContact SD-CZ 4.37Å; M828-A893 HydrophobicContact CB-CB 3.93Å
829	Y	90.1	Very high	90.8	Very high	21 Å²	21	11 Å²	11	8%	0.082	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	19	174.8	-50.7	-88.1	0	0	0	111.9	D827 A897 K901 S1097 L1098 R1151	D827-Y829 PolarHBondContact O-N 3.31Å; D827-Y829 PolarHBondContact OD1-N 2.91Å; Y829-A897 HydrophobicContact CE2-CB 4.21Å; Y829-K901 WeakPolarHBondContact O-CE 3.48Å; Y829-K901 PolarHBondContact O-NZ 2.94Å; Y829-S1097 PolarHBondContact OH-OG 3.24Å; Y829-L1098 HydrophobicContact CD1-CD1 3.86Å; Y829-L1098 HydrophobicContact CD1-CD2 4.37Å; Y829-L1098 HydrophobicContact CD1-CG 4.29Å; Y829-L1098 HydrophobicContact CD2-CD2 4.42Å; Y829-L1098 HydrophobicContact CE1-CD1 3.62Å; Y829-L1098 HydrophobicContact CE1-CD2 3.83Å; Y829-L1098 HydrophobicContact CE1-CG 3.59Å; Y829-L1098 HydrophobicContact CE2-CD2 3.88Å; Y829-R1151 HydrophobicContact CD1-CB 4.4Å; Y829-R1151 HydrophobicContact CD2-CB 4.48Å; Y829-R1151 HydrophobicContact CD2-CG 4.46Å; Y829-R1151 HydrophobicContact CG-CB 3.97Å; Y829-R1151 HydrophobicContact CG-CG 4.24Å
830	S	91.5	Very high	90.3	Very high	4 Å²	4	12.1 Å²	12.1	3%	0.028	7%	0.066	C	C	.	.			trans	-74.7	170.9	160.7	65.3	0	0	0	0	111.3	D827 P853 L854	D827-S830 VanDerWaalsContact O-CB 3.23Å; D827-S830 WeakPolarHBondContact O-CB 3.37Å; D827-S830 PolarHBondContact O-N 3.11Å; D827-S830 PolarHBondContact O-OG 2.83Å; S830-P853 WeakPolarHBondContact O-CA 3.48Å; S830-L854 PolarHBondContact O-N 2.95Å; S830-L854 VanDerWaalsContact O-N 3.07Å; S830-L854 VanDerWaalsContact OG-CD1 3.28Å; S830-L854 WeakPolarHBondContact OG-CD1 3.5Å
831	V	92	Very high	89.3	Confident	6 Å²	6	22.2 Å²	22.2	4%	0.036	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.1	-173.8	175.8	0	0	0	0	107.5	E833 F852 Y1161	V831-E833 HydrophobicContact CG1-CG 3.99Å; V831-F852 WeakPolarHBondContact CA-O 3.23Å; V831-Y1161 HydrophobicContact CG1-CE1 3.88Å; V831-Y1161 HydrophobicContact CG2-CE1 4.21Å; V831-Y1161 HydrophobicContact CG2-CE2 4.23Å
832	L	94.4	Very high	88.1	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132	167.1	-164.2	73.5	0	0	0	108	L772 V774 I797 L799 V834 S851 F852 L854	L772-L832 HydrophobicContact CD2-CD1 3.96Å; V774-L832 HydrophobicContact CG1-CD2 4.41Å; V774-L832 HydrophobicContact CG2-CD2 3.95Å; I797-L832 HydrophobicContact CG2-CD1 3.54Å; I797-L832 HydrophobicContact CG2-CD2 4.23Å; I797-L832 HydrophobicContact CG2-CG 3.94Å; L799-L832 HydrophobicContact CB-CD1 4.01Å; L799-L832 HydrophobicContact CD1-CB 4.49Å; L799-L832 HydrophobicContact CD1-CD1 3.98Å; L799-L832 HydrophobicContact CG-CD1 4.5Å; L832-V834 HydrophobicContact CD2-CG2 4.28Å; L832-V834 HydrophobicContact CG-CG2 4.44Å; L832-S851 WeakPolarHBondContact O-CA 3.39Å; L832-F852 HydrophobicContact CB-CD2 4.1Å; L832-F852 HydrophobicContact CB-CE2 3.8Å; L832-F852 HydrophobicContact CD2-CE2 3.77Å; L832-F852 HydrophobicContact CD2-CZ 4.34Å; L832-F852 HydrophobicContact CG-CE2 4.29Å; L832-F852 PolarHBondContact N-O 3.47Å; L832-F852 PolarHBondContact O-N 3.37Å; L832-L854 HydrophobicContact CB-CD2 3.96Å
833	E	93.6	Very high	87	Confident	14 Å²	14	35.5 Å²	35.5	7%	0.065	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.4	178	-52.8	-178.9	140.3	0	0	108.6	I797 R798 V831 Y835 I850 R904	I797-E833 CarbonylContact C-O 3.49Å; I797-E833 WeakPolarHBondContact CA-O 3.41Å; R798-E833 HydrophobicContact CB-CB 4.31Å; R798-E833 PolarHBondContact N-O 2.97Å; R798-E833 PolarHBondContact O-N 3.42Å; V831-E833 HydrophobicContact CG1-CG 3.99Å; E833-Y835 HydrophobicContact CB-CD2 4.25Å; E833-Y835 HydrophobicContact CB-CE2 3.45Å; E833-Y835 VanDerWaalsContact CB-CE2 3.45Å; E833-Y835 PolarHBondContact OE2-OH 3.17Å; E833-I850 WeakPolarHBondContact CA-O 3.39Å; E833-R904 VanDerWaalsContact CD-CZ 3.5Å; E833-R904 IonicContact OE1-CZ 2.79Å; E833-R904 IonicContact OE1-NH1 2.6Å; E833-R904 PolarHBondContact OE1-NH1 3.09Å; E833-R904 IonicContact OE1-NH2 2.91Å; E833-R904 PolarHBondContact OE1-NH2 3.01Å; E833-R904 IonicContact OE2-CZ 3.79Å; E833-R904 VanDerWaalsContact OE2-CZ 3.27Å; E833-R904 IonicContact OE2-NH1 3.21Å; E833-R904 PolarHBondContact OE2-NH1 2.85Å; E833-R904 IonicContact OE2-NH2 3.85Å; E833-R904 PolarHBondContact OE2-NH2 2.94Å
834	V	94.6	Very high	86.4	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	115.3	-175.5	-176.3	0	0	0	0	107.7	C795 L832 C849 I850 F852 I880 L882	C795-V834 VanDerWaalsContact SG-CG1 3.51Å; L832-V834 HydrophobicContact CD2-CG2 4.28Å; L832-V834 HydrophobicContact CG-CG2 4.44Å; V834-C849 CarbonylContact O-C 3.49Å; V834-C849 VanDerWaalsContact O-CA 3.23Å; V834-C849 WeakPolarHBondContact O-CA 3.49Å; V834-C849 WeakPolarHBondContact O-CB 3.2Å; V834-I850 PolarHBondContact N-O 2.95Å; V834-I850 PolarHBondContact O-N 3.1Å; V834-F852 HydrophobicContact CG2-CZ 4.4Å; V834-I880 HydrophobicContact CG1-CD1 4.15Å; V834-L882 HydrophobicContact CG1-CD1 4.47Å; V834-L882 HydrophobicContact CG2-CD1 4.17Å
835	Y	93.1	Very high	86.1	Confident	29 Å²	29	40.6 Å²	40.6	11%	0.114	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.4	-176.2	-62.9	-89.5	0	0	0	109.5	C795 E796 R798 E833 Y837 L846 C849	C795-Y835 CarbonylContact C-O 3.53Å; C795-Y835 WeakPolarHBondContact CA-O 3.41Å; E796-Y835 PolarHBondContact N-O 2.94Å; E796-Y835 PolarHBondContact O-N 3.18Å; R798-Y835 HydrophobicContact CG-CD2 4.11Å; R798-Y835 HydrophobicContact CG-CE2 3.87Å; E833-Y835 HydrophobicContact CB-CD2 4.25Å; E833-Y835 HydrophobicContact CB-CE2 3.45Å; E833-Y835 VanDerWaalsContact CB-CE2 3.45Å; E833-Y835 PolarHBondContact OE2-OH 3.17Å; Y835-Y837 VanDerWaalsContact CB-CE2 3.44Å; Y835-Y837 HydrophobicContact CG-CE2 4.16Å; Y835-L846 HydrophobicContact CD1-CD1 3.63Å; Y835-L846 HydrophobicContact CD1-CD2 4.12Å; Y835-L846 HydrophobicContact CG-CD1 4.13Å; Y835-C849 HydrophobicContact CD1-CB 3.42Å; Y835-C849 VanDerWaalsContact CD1-CB 3.42Å; Y835-C849 HydrophobicContact CE1-CB 3.85Å; Y835-C849 HydrophobicContact CG-CB 4.13Å
836	I	92.3	Very high	85.8	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	124.1	169.2	-58.3	-175.2	0	0	0	108.2	A779 L782 L846 T847 G848 L867 I880	A779-I836 HydrophobicContact CB-CD1 4Å; L782-I836 HydrophobicContact CD1-CG2 4.03Å; L782-I836 HydrophobicContact CD2-CD1 3.86Å; L782-I836 HydrophobicContact CD2-CG2 4.3Å; I836-L846 WeakPolarHBondContact O-CD1 3.48Å; I836-T847 WeakPolarHBondContact O-CB 3.42Å; I836-T847 PolarHBondContact O-N 2.79Å; I836-G848 PolarHBondContact N-O 3.49Å; I836-G848 PolarHBondContact O-N 3.22Å; I836-L867 HydrophobicContact CD1-CD1 3.82Å; I836-L867 HydrophobicContact CD1-CD2 3.69Å; I836-L867 HydrophobicContact CD1-CG 4.39Å; I836-L867 HydrophobicContact CG1-CD2 4.17Å; I836-I880 HydrophobicContact CD1-CB 4.37Å; I836-I880 HydrophobicContact CD1-CD1 4.07Å; I836-I880 HydrophobicContact CG1-CD1 4.42Å
837	Y	90.6	Very high	85.6	Confident	21 Å²	21	41.1 Å²	41.1	8%	0.082	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.1	-178.6	-73.6	-82.6	0	0	0	111	V793 F794 E796 R798 Y835 E845 L846	V793-Y837 WeakPolarHBondContact CA-O 3.17Å; F794-Y837 AromaticContact CE2-CD2 3.87Å; F794-Y837 HydrophobicContact CE2-CD2 3.87Å; F794-Y837 HydrophobicContact CE2-CG 4.11Å; F794-Y837 HydrophobicContact CZ-CD2 4.16Å; F794-Y837 AromaticContact CZ-CG 3.92Å; F794-Y837 HydrophobicContact CZ-CG 3.92Å; F794-Y837 PolarHBondContact N-O 3.15Å; F794-Y837 PolarHBondContact O-N 3.18Å; E796-Y837 HydrophobicContact CB-CD2 4.08Å; E796-Y837 HydrophobicContact CB-CE2 4Å; R798-Y837 PolarHBondContact NH2-OH 3.45Å; Y835-Y837 VanDerWaalsContact CB-CE2 3.44Å; Y835-Y837 HydrophobicContact CG-CE2 4.16Å; Y837-E845 CarbonylContact C-O 3.55Å; Y837-E845 WeakPolarHBondContact CA-O 3.49Å; Y837-L846 HydrophobicContact CD1-CB 4.11Å; Y837-L846 HydrophobicContact CD1-CD1 3.94Å; Y837-L846 HydrophobicContact CD2-CD1 4.21Å; Y837-L846 HydrophobicContact CE1-CB 3.92Å; Y837-L846 HydrophobicContact CE1-CD1 3.7Å; Y837-L846 HydrophobicContact CE1-CG 4.45Å; Y837-L846 HydrophobicContact CE2-CD1 4Å; Y837-L846 HydrophobicContact CG-CD1 4.19Å
838	E	88.2	Confident	85.5	Confident	24 Å²	24	40.9 Å²	40.9	11%	0.112	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	122.6	166.5	-173.5	175	-142.7	0	0	109.3	K785 S791 N792 V793 G840 S844 E845 T847	K785-E838 WeakPolarHBondContact CB-OE2 3.37Å; S791-E838 WeakPolarHBondContact CB-OE1 3.47Å; S791-E838 PolarHBondContact OG-OE1 3.35Å; N792-E838 CarbonylContact O-C 3.5Å; N792-E838 WeakPolarHBondContact O-CA 3.47Å; V793-E838 HydrophobicContact CG1-CB 4.45Å; E838-G840 PolarHBondContact O-N 3.18Å; E838-G840 VanDerWaalsContact O-N 3.14Å; E838-S844 CarbonylContact O-C 3.52Å; E838-S844 WeakPolarHBondContact O-CA 3.34Å; E838-S844 WeakPolarHBondContact O-CB 3.21Å; E838-E845 PolarHBondContact N-O 3.19Å; E838-E845 PolarHBondContact O-N 3.2Å; E838-T847 PolarHBondContact N-OG1 2.91Å
839	E	85	Confident	85.5	Confident	28 Å²	28	40.6 Å²	40.6	13%	0.131	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	93.9	-179.2	-173.1	170.3	-162.4	0	0	111.2	R559 R648 N792 F794 T808	R559-E839 IonicContact CZ-OE1 3.15Å; R559-E839 IonicContact CZ-OE2 2.69Å; R559-E839 IonicContact NH1-OE1 2.71Å; R559-E839 IonicContact NH2-OE1 3.27Å; R559-E839 PolarHBondContact NH2-OE1 3.33Å; R559-E839 IonicContact NH2-OE2 3.14Å; R559-E839 PolarHBondContact NH2-OE2 3.33Å; R648-E839 IonicContact CZ-OE1 3.23Å; R648-E839 IonicContact NE-OE1 3.21Å; R648-E839 PolarHBondContact NE-OE1 3.34Å; R648-E839 IonicContact NH2-OE1 2.73Å; R648-E839 PolarHBondContact NH2-OE1 3.19Å; N792-E839 HydrophobicContact CB-CB 4.3Å; N792-E839 PolarHBondContact O-N 3.45Å; F794-E839 HydrophobicContact CD1-CB 4.2Å; F794-E839 HydrophobicContact CE1-CB 4.04Å; T808-E839 WeakPolarHBondContact CB-OE2 3.37Å; T808-E839 HydrophobicContact CG2-CB 4.28Å; T808-E839 VanDerWaalsContact CG2-OE2 3.29Å; T808-E839 WeakPolarHBondContact CG2-OE2 3.45Å; T808-E839 PolarHBondContact OG1-OE2 2.81Å
840	G	77.5	Confident	85.6	Confident	36 Å²	36	40.1 Å²	40.1	37%	0.371	21%	0.21	S	C	.	.			trans	-75.9	178.9	169.6	0	0	0	0	0	113.7	E838 S843	E838-G840 PolarHBondContact O-N 3.18Å; E838-G840 VanDerWaalsContact O-N 3.14Å; G840-S843 VanDerWaalsContact CA-O 3.25Å; G840-S843 WeakPolarHBondContact CA-O 3.39Å; G840-S843 PolarHBondContact N-O 3.25Å
841	K	69.2	Low	85.6	Confident	216 Å²	216	40 Å²	40	94%	0.939	21%	0.21	S	C	*	.	S	Bend	trans	-71.4	-36.9	-176	-70.7	178.5	179.3	171.3	0	114.3
842	E	65.5	Low	85.4	Confident	198 Å²	198	40.2 Å²	40.2	93%	0.925	21%	0.21	S	C	*	.	S	Bend	trans	-116.8	-37.3	-176.3	-64.1	-175.3	149.1	0	0	112.4
843	S	69.2	Low	85.2	Confident	91 Å²	91	40.8 Å²	40.8	64%	0.636	21%	0.214	S	C	*	.	S	Bend	trans	-135	151.1	176.2	57.1	0	0	0	0	110.4	G840	G840-S843 VanDerWaalsContact CA-O 3.25Å; G840-S843 WeakPolarHBondContact CA-O 3.39Å; G840-S843 PolarHBondContact N-O 3.25Å
844	S	80.2	Confident	85.1	Confident	37 Å²	37	40.2 Å²	40.2	26%	0.259	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.8	168	-57.4	0	0	0	0	109.5	E838	E838-S844 CarbonylContact O-C 3.52Å; E838-S844 WeakPolarHBondContact O-CA 3.34Å; E838-S844 WeakPolarHBondContact O-CB 3.21Å
845	E	83	Confident	84.7	Confident	75 Å²	75	43.8 Å²	43.8	35%	0.35	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	137.5	177.1	175.9	152.5	-148.7	0	0	110.9	K785 Y837 E838 T847 K870	K785-E845 IonicContact NZ-OE2 2.8Å; K785-E845 PolarHBondContact NZ-OE2 3.08Å; Y837-E845 CarbonylContact C-O 3.55Å; Y837-E845 WeakPolarHBondContact CA-O 3.49Å; E838-E845 PolarHBondContact N-O 3.19Å; E838-E845 PolarHBondContact O-N 3.2Å; E845-T847 PolarHBondContact O-N 2.86Å; E845-K870 IonicContact OE1-NZ 3.71Å; E845-K870 PolarHBondContact OE1-NZ 3.01Å
846	L	84.7	Confident	84.4	Confident	26 Å²	26	47.2 Å²	47.2	14%	0.136	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	116.2	174.3	-169.4	76.2	0	0	0	110.8	Y835 I836 Y837 C849 K870	Y835-L846 HydrophobicContact CD1-CD1 3.63Å; Y835-L846 HydrophobicContact CD1-CD2 4.12Å; Y835-L846 HydrophobicContact CG-CD1 4.13Å; I836-L846 WeakPolarHBondContact O-CD1 3.48Å; Y837-L846 HydrophobicContact CD1-CB 4.11Å; Y837-L846 HydrophobicContact CD1-CD1 3.94Å; Y837-L846 HydrophobicContact CD2-CD1 4.21Å; Y837-L846 HydrophobicContact CE1-CB 3.92Å; Y837-L846 HydrophobicContact CE1-CD1 3.7Å; Y837-L846 HydrophobicContact CE1-CG 4.45Å; Y837-L846 HydrophobicContact CE2-CD1 4Å; Y837-L846 HydrophobicContact CG-CD1 4.19Å; L846-C849 HydrophobicContact CD1-CB 4.44Å; L846-C849 HydrophobicContact CD2-CB 4.06Å; L846-K870 HydrophobicContact CB-CG 4.23Å; L846-K870 HydrophobicContact CD2-CB 4.48Å; L846-K870 HydrophobicContact CD2-CG 3.72Å; L846-K870 HydrophobicContact CG-CG 4.46Å; L846-K870 VanDerWaalsContact O-CE 3.24Å; L846-K870 WeakPolarHBondContact O-CE 3.38Å
847	T	83.1	Confident	84	Confident	23 Å²	23	48.1 Å²	48.1	14%	0.141	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-41.1	174.9	-48.8	0	0	0	0	111.3	L782 P783 I836 E838 E845	L782-T847 HydrophobicContact CB-CG2 4.49Å; L782-T847 HydrophobicContact CD2-CG2 4.4Å; P783-T847 HydrophobicContact CG-CG2 3.72Å; I836-T847 WeakPolarHBondContact O-CB 3.42Å; I836-T847 PolarHBondContact O-N 2.79Å; E838-T847 PolarHBondContact N-OG1 2.91Å; E845-T847 PolarHBondContact O-N 2.86Å
848	G	87.6	Confident	83.5	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	164.8	176.2	0	0	0	0	0	111.3	I836 K868	I836-G848 PolarHBondContact N-O 3.49Å; I836-G848 PolarHBondContact O-N 3.22Å; G848-K868 CarbonylContact C-O 3.3Å; G848-K868 VanDerWaalsContact CA-O 3.26Å; G848-K868 WeakPolarHBondContact CA-O 3.26Å
849	C	90.7	Very high	83.3	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	163.5	178.9	58	0	0	0	0	113.4	V834 Y835 L846 K868 D869 L872	V834-C849 CarbonylContact O-C 3.49Å; V834-C849 VanDerWaalsContact O-CA 3.23Å; V834-C849 WeakPolarHBondContact O-CA 3.49Å; V834-C849 WeakPolarHBondContact O-CB 3.2Å; Y835-C849 HydrophobicContact CD1-CB 3.42Å; Y835-C849 VanDerWaalsContact CD1-CB 3.42Å; Y835-C849 HydrophobicContact CE1-CB 3.85Å; Y835-C849 HydrophobicContact CG-CB 4.13Å; L846-C849 HydrophobicContact CD1-CB 4.44Å; L846-C849 HydrophobicContact CD2-CB 4.06Å; C849-K868 PolarHBondContact N-O 3.44Å; C849-K868 WeakPolarHBondContact O-CA 3.34Å; C849-K868 VanDerWaalsContact O-CB 3.3Å; C849-K868 WeakPolarHBondContact O-CB 3.3Å; C849-K868 PolarHBondContact O-N 3.29Å; C849-D869 PolarHBondContact SG-O 2.94Å; C849-D869 VanDerWaalsContact SG-O 3.33Å; C849-L872 HydrophobicContact CB-CD2 4.43Å; C849-L872 WeakPolarHBondContact SG-CD2 3.4Å
850	I	92	Very high	83.2	Confident	10 Å²	10	56 Å²	56	5%	0.051	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.3	175.3	-64.8	154.1	0	0	0	107.6	E833 V834 F852 A866 L867 I880	E833-I850 WeakPolarHBondContact CA-O 3.39Å; V834-I850 PolarHBondContact N-O 2.95Å; V834-I850 PolarHBondContact O-N 3.1Å; I850-F852 HydrophobicContact CG2-CD1 3.5Å; I850-F852 VanDerWaalsContact CG2-CD1 3.5Å; I850-F852 HydrophobicContact CG2-CE1 3.48Å; I850-F852 VanDerWaalsContact CG2-CE1 3.48Å; I850-A866 WeakPolarHBondContact CG1-O 3.48Å; I850-L867 HydrophobicContact CD1-CD2 3.83Å; I850-L867 HydrophobicContact CG1-CD2 4.22Å; I850-I880 HydrophobicContact CD1-CG2 3.41Å; I850-I880 VanDerWaalsContact CD1-CG2 3.41Å
851	S	91.1	Very high	83.4	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.021	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	132.5	172	-58.3	0	0	0	0	109.7	L832 L872 Y1161	L832-S851 WeakPolarHBondContact O-CA 3.39Å; S851-L872 WeakPolarHBondContact OG-CD1 3.5Å; S851-Y1161 WeakPolarHBondContact O-CA 3.46Å; S851-Y1161 WeakPolarHBondContact O-CD1 3.48Å
852	F	87.6	Confident	84.2	Confident	9 Å²	9	56.5 Å²	56.5	4%	0.039	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.8	176.6	38.5	-115.5	0	0	0	112.1	V831 L832 V834 I850 L857 Y865 L882	V831-F852 WeakPolarHBondContact CA-O 3.23Å; L832-F852 HydrophobicContact CB-CD2 4.1Å; L832-F852 HydrophobicContact CB-CE2 3.8Å; L832-F852 HydrophobicContact CD2-CE2 3.77Å; L832-F852 HydrophobicContact CD2-CZ 4.34Å; L832-F852 HydrophobicContact CG-CE2 4.29Å; L832-F852 PolarHBondContact N-O 3.47Å; L832-F852 PolarHBondContact O-N 3.37Å; V834-F852 HydrophobicContact CG2-CZ 4.4Å; I850-F852 HydrophobicContact CG2-CD1 3.5Å; I850-F852 VanDerWaalsContact CG2-CD1 3.5Å; I850-F852 HydrophobicContact CG2-CE1 3.48Å; I850-F852 VanDerWaalsContact CG2-CE1 3.48Å; F852-L857 HydrophobicContact CD2-CD1 4.1Å; F852-L857 HydrophobicContact CD2-CD2 3.68Å; F852-L857 HydrophobicContact CD2-CG 3.75Å; F852-L857 HydrophobicContact CE1-CD2 4.43Å; F852-L857 HydrophobicContact CE2-CD1 3.83Å; F852-L857 HydrophobicContact CE2-CD2 3.31Å; F852-L857 HydrophobicContact CE2-CG 3.74Å; F852-L857 HydrophobicContact CG-CD2 4.41Å; F852-L857 HydrophobicContact CZ-CD2 3.74Å; F852-Y865 HydrophobicContact CD1-CD1 4.41Å; F852-Y865 HydrophobicContact CD1-CE1 4.11Å; F852-Y865 HydrophobicContact CE1-CD1 4.08Å; F852-Y865 AromaticContact CE1-CE1 3.85Å; F852-Y865 HydrophobicContact CE1-CE1 3.85Å; F852-L882 HydrophobicContact CE1-CD1 4.49Å; F852-L882 HydrophobicContact CZ-CD1 4.14Å
853	P	91.1	Very high	85.2	Confident	13 Å²	13	50 Å²	50	8%	0.084	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	142.6	168.9	-22.1	33.5	0	0	0	111.7	S830 I855 Q856 Y1161	S830-P853 WeakPolarHBondContact O-CA 3.48Å; P853-I855 HydrophobicContact CB-CG2 4.02Å; P853-I855 PolarHBondContact O-N 2.93Å; P853-Q856 HydrophobicContact CB-CG 4.36Å; P853-Q856 HydrophobicContact CG-CG 4.42Å; P853-Q856 PolarHBondContact O-N 3.47Å; P853-Y1161 HydrophobicContact CG-CD2 3.45Å; P853-Y1161 VanDerWaalsContact CG-CD2 3.45Å; P853-Y1161 HydrophobicContact CG-CE2 3.85Å; P853-Y1161 HydrophobicContact CG-CG 4.01Å
854	L	91.3	Very high	86	Confident	1 Å²	1	48 Å²	48	1%	0.005	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.8	-32.2	178	-61.9	-174.1	0	0	0	112.8	L772 L799 I825 M828 S830 L832 Q856 L857	L772-L854 HydrophobicContact CD2-CD2 3.7Å; L799-L854 HydrophobicContact CD1-CD1 4.16Å; L799-L854 HydrophobicContact CD1-CD2 4.08Å; L799-L854 HydrophobicContact CD1-CG 4.31Å; I825-L854 HydrophobicContact CB-CD1 4.5Å; I825-L854 HydrophobicContact CD1-CD1 4.22Å; I825-L854 HydrophobicContact CG1-CD1 3.99Å; I825-L854 HydrophobicContact CG2-CD1 3.9Å; M828-L854 HydrophobicContact SD-CB 4.25Å; S830-L854 PolarHBondContact O-N 2.95Å; S830-L854 VanDerWaalsContact O-N 3.07Å; S830-L854 VanDerWaalsContact OG-CD1 3.28Å; S830-L854 WeakPolarHBondContact OG-CD1 3.5Å; L832-L854 HydrophobicContact CB-CD2 3.96Å; L854-Q856 PolarHBondContact O-N 3.34Å; L854-L857 HydrophobicContact CD2-CD1 3.89Å; L854-L857 PolarHBondContact O-N 3.35Å
855	I	86.3	Confident	86.5	Confident	76 Å²	76	46.9 Å²	46.9	39%	0.39	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-68.2	-8.3	176.8	-160.8	59.6	0	0	0	114.5	M828 P853	M828-I855 HydrophobicContact CE-CD1 3.99Å; M828-I855 HydrophobicContact CG-CD1 4.12Å; P853-I855 HydrophobicContact CB-CG2 4.02Å; P853-I855 PolarHBondContact O-N 2.93Å
856	Q	85.5	Confident	86.9	Confident	101 Å²	101	43.7 Å²	43.7	47%	0.472	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-105.3	-1.4	175.8	-62.9	-169.5	-70.4	0	0	113.4	P853 L854	P853-Q856 HydrophobicContact CB-CG 4.36Å; P853-Q856 HydrophobicContact CG-CG 4.42Å; P853-Q856 PolarHBondContact O-N 3.47Å; L854-Q856 PolarHBondContact O-N 3.34Å
857	L	84.8	Confident	87.2	Confident	19 Å²	19	42.4 Å²	42.4	10%	0.099	20%	0.195	C	C	.	.			trans	-74.3	138.4	-179.2	-87.5	171.8	0	0	0	112.6	L772 F852 L854 N859 T884 I886	L772-L857 HydrophobicContact CD1-CD1 4.33Å; F852-L857 HydrophobicContact CD2-CD1 4.1Å; F852-L857 HydrophobicContact CD2-CD2 3.68Å; F852-L857 HydrophobicContact CD2-CG 3.75Å; F852-L857 HydrophobicContact CE1-CD2 4.43Å; F852-L857 HydrophobicContact CE2-CD1 3.83Å; F852-L857 HydrophobicContact CE2-CD2 3.31Å; F852-L857 HydrophobicContact CE2-CG 3.74Å; F852-L857 HydrophobicContact CG-CD2 4.41Å; F852-L857 HydrophobicContact CZ-CD2 3.74Å; L854-L857 HydrophobicContact CD2-CD1 3.89Å; L854-L857 PolarHBondContact O-N 3.35Å; L857-N859 PolarHBondContact O-N 2.8Å; L857-T884 HydrophobicContact CD1-CG2 4.02Å; L857-T884 HydrophobicContact CD2-CG2 3.8Å; L857-T884 HydrophobicContact CG-CG2 4.48Å; L857-I886 HydrophobicContact CB-CD1 3.55Å; L857-I886 HydrophobicContact CD1-CD1 3.7Å; L857-I886 HydrophobicContact CG-CD1 4.28Å
858	V	80.6	Confident	87.4	Confident	49 Å²	49	41.9 Å²	41.9	30%	0.297	19%	0.19	S	C	.	.			trans	-83.2	112.6	177.6	-174.7	0	0	0	0	109.2	R861 K863 T884	V858-R861 HydrophobicContact CG1-CB 4.01Å; V858-R861 HydrophobicContact CG1-CG 4.11Å; V858-K863 HydrophobicContact CG2-CD 4.27Å; V858-T884 PolarHBondContact O-OG1 2.97Å; V858-T884 VanDerWaalsContact O-OG1 3.11Å
859	N	84.2	Confident	87.3	Confident	73 Å²	73	43.7 Å²	43.7	39%	0.39	20%	0.2	S	C	.	.	B	Isolated β-bridge	trans	-72.7	137.4	-175.9	-155.5	-5.1	0	0	0	111.8	L857 R861 I885 I886	L857-N859 PolarHBondContact O-N 2.8Å; N859-R861 VanDerWaalsContact C-N 3.3Å; N859-R861 PolarHBondContact O-N 3.36Å; N859-I885 WeakPolarHBondContact OD1-CA 3.39Å; N859-I886 PolarHBondContact ND2-O 2.79Å; N859-I886 PolarHBondContact OD1-N 3.07Å
860	R	81.5	Confident	86.9	Confident	117 Å²	117	49.9 Å²	49.9	44%	0.442	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.1	175.1	-55.1	-172.2	-173.6	-168.9	2.9	115.1	T884 I885	R860-T884 PolarHBondContact N-O 2.91Å; R860-I885 HydrophobicContact CG-CG1 4.34Å; R860-I885 HydrophobicContact CG-CG2 4.02Å
861	R	82.4	Confident	85.9	Confident	179 Å²	179	52 Å²	52	68%	0.675	24%	0.242	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-132	144.3	170.2	-62.8	-170.7	-176.4	178.2	2.2	111.2	V858 N859	V858-R861 HydrophobicContact CG1-CB 4.01Å; V858-R861 HydrophobicContact CG1-CG 4.11Å; N859-R861 VanDerWaalsContact C-N 3.3Å; N859-R861 PolarHBondContact O-N 3.36Å
862	Q	84.9	Confident	85.2	Confident	83 Å²	83	53 Å²	53	39%	0.388	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	132	164.1	-61.8	-170.6	8.7	0	0	108.6	N777 L881 L882 Q883	N777-Q862 PolarHBondContact ND2-NE2 3.01Å; N777-Q862 VanDerWaalsContact ND2-NE2 3.18Å; N777-Q862 PolarHBondContact ND2-OE1 2.89Å; N777-Q862 VanDerWaalsContact ND2-OE1 3.17Å; Q862-L881 HydrophobicContact CB-CD1 4.03Å; Q862-L882 WeakPolarHBondContact CA-O 3.48Å; Q862-Q883 HydrophobicContact CG-CB 4.05Å; Q862-Q883 HydrophobicContact CG-CG 4.04Å
863	K	86.8	Confident	84.5	Confident	63 Å²	63	54.4 Å²	54.4	27%	0.274	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.9	-179.1	-176.9	174	176.1	-173.2	0	111.1	V858 Y865 L882 E1163	V858-K863 HydrophobicContact CG2-CD 4.27Å; K863-Y865 HydrophobicContact CB-CD2 4.46Å; K863-Y865 HydrophobicContact CB-CE2 3.77Å; K863-Y865 HydrophobicContact CD-CE1 4.23Å; K863-Y865 HydrophobicContact CD-CE2 4.19Å; K863-Y865 HydrophobicContact CG-CD2 4.41Å; K863-Y865 HydrophobicContact CG-CE2 3.94Å; K863-Y865 VanDerWaalsContact O-CD2 3.23Å; K863-Y865 WeakPolarHBondContact O-CD2 3.13Å; K863-Y865 WeakPolarHBondContact O-CE2 3.46Å; K863-L882 PolarHBondContact N-O 3.28Å; K863-L882 PolarHBondContact O-N 2.55Å; K863-L882 VanDerWaalsContact O-N 3.08Å; K863-E1163 IonicContact NZ-OE1 3.93Å; K863-E1163 PolarHBondContact NZ-OE1 3.14Å; K863-E1163 IonicContact NZ-OE2 2.69Å; K863-E1163 PolarHBondContact NZ-OE2 3.09Å
864	W	87.7	Confident	83.8	Confident	47 Å²	47	56.3 Å²	56.3	18%	0.178	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	129.5	170.5	-73.8	107.7	0	0	0	110.2	R778 I880 L881 P1170 E1173	R778-W864 HydrophobicContact CG-CH2 3.98Å; W864-I880 WeakPolarHBondContact CA-O 3.26Å; W864-L881 HydrophobicContact CD2-CB 4Å; W864-L881 HydrophobicContact CD2-CD1 4.05Å; W864-L881 HydrophobicContact CE3-CB 3.82Å; W864-L881 HydrophobicContact CG-CD1 4.05Å; W864-L881 HydrophobicContact CH2-CB 4.12Å; W864-L881 HydrophobicContact CZ2-CB 4.28Å; W864-L881 HydrophobicContact CZ2-CD2 4.35Å; W864-L881 HydrophobicContact CZ3-CB 3.87Å; W864-P1170 HydrophobicContact CZ2-CG 4.38Å; W864-E1173 PolarHBondContact NE1-OE2 3.09Å
865	Y	90	Very high	83.3	Confident	15 Å²	15	59.7 Å²	59.7	6%	0.059	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.7	175.4	-65.7	-95.2	0	0	0	109.8	F852 K863 S879 I880 L882 E1163	F852-Y865 HydrophobicContact CD1-CD1 4.41Å; F852-Y865 HydrophobicContact CD1-CE1 4.11Å; F852-Y865 HydrophobicContact CE1-CD1 4.08Å; F852-Y865 AromaticContact CE1-CE1 3.85Å; F852-Y865 HydrophobicContact CE1-CE1 3.85Å; K863-Y865 HydrophobicContact CB-CD2 4.46Å; K863-Y865 HydrophobicContact CB-CE2 3.77Å; K863-Y865 HydrophobicContact CD-CE1 4.23Å; K863-Y865 HydrophobicContact CD-CE2 4.19Å; K863-Y865 HydrophobicContact CG-CD2 4.41Å; K863-Y865 HydrophobicContact CG-CE2 3.94Å; K863-Y865 VanDerWaalsContact O-CD2 3.23Å; K863-Y865 WeakPolarHBondContact O-CD2 3.13Å; K863-Y865 WeakPolarHBondContact O-CE2 3.46Å; Y865-S879 CarbonylContact O-C 3.56Å; Y865-S879 WeakPolarHBondContact O-CA 3.34Å; Y865-S879 WeakPolarHBondContact O-CB 3.39Å; Y865-I880 PolarHBondContact N-O 2.85Å; Y865-I880 PolarHBondContact O-N 3.42Å; Y865-L882 HydrophobicContact CD2-CB 4.22Å; Y865-L882 HydrophobicContact CD2-CD1 4.15Å; Y865-L882 HydrophobicContact CD2-CG 4.35Å; Y865-L882 HydrophobicContact CE2-CB 4.07Å; Y865-L882 HydrophobicContact CE2-CD1 4.38Å; Y865-E1163 VanDerWaalsContact CE1-OE1 3.3Å; Y865-E1163 WeakPolarHBondContact CE1-OE1 3.26Å
866	A	91	Very high	83.2	Confident	7 Å²	7	56.8 Å²	56.8	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.8	170.8	0	0	0	0	0	110.8	I850 L1164 P1166	I850-A866 WeakPolarHBondContact CG1-O 3.48Å; A866-L1164 HydrophobicContact CB-CB 4.17Å; A866-L1164 VanDerWaalsContact CB-O 3.25Å; A866-L1164 WeakPolarHBondContact CB-O 3.37Å; A866-P1166 HydrophobicContact CB-CB 4.22Å
867	L	90.2	Very high	83	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	152.1	176.3	-63.4	167.7	0	0	0	111.1	L782 I836 I850 A876 G878 I880	L782-L867 HydrophobicContact CD2-CD1 3.49Å; L782-L867 VanDerWaalsContact CD2-CD1 3.49Å; I836-L867 HydrophobicContact CD1-CD1 3.82Å; I836-L867 HydrophobicContact CD1-CD2 3.69Å; I836-L867 HydrophobicContact CD1-CG 4.39Å; I836-L867 HydrophobicContact CG1-CD2 4.17Å; I850-L867 HydrophobicContact CD1-CD2 3.83Å; I850-L867 HydrophobicContact CG1-CD2 4.22Å; L867-A876 HydrophobicContact CB-CB 4.12Å; L867-A876 PolarHBondContact O-N 3.3Å; L867-G878 PolarHBondContact N-O 2.87Å; L867-G878 VanDerWaalsContact N-O 3.13Å; L867-I880 HydrophobicContact CD2-CG2 4.3Å
868	K	89.1	Confident	83.1	Confident	11 Å²	11	59.4 Å²	59.4	5%	0.048	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	165.3	171.7	-56.4	-169.5	178.5	-178.2	0	112.1	G848 C849 L872 T874 A876 I1159 Y1160 R1162 L1164	G848-K868 CarbonylContact C-O 3.3Å; G848-K868 VanDerWaalsContact CA-O 3.26Å; G848-K868 WeakPolarHBondContact CA-O 3.26Å; C849-K868 PolarHBondContact N-O 3.44Å; C849-K868 WeakPolarHBondContact O-CA 3.34Å; C849-K868 VanDerWaalsContact O-CB 3.3Å; C849-K868 WeakPolarHBondContact O-CB 3.3Å; C849-K868 PolarHBondContact O-N 3.29Å; K868-L872 HydrophobicContact CB-CD2 4.22Å; K868-L872 HydrophobicContact CD-CB 4.37Å; K868-L872 HydrophobicContact CD-CD2 4.27Å; K868-L872 WeakPolarHBondContact CD-O 3.46Å; K868-T874 CarbonylContact C-O 3.53Å; K868-T874 VanDerWaalsContact CA-O 3.24Å; K868-T874 WeakPolarHBondContact CA-O 3.24Å; K868-T874 WeakPolarHBondContact CB-O 3.15Å; K868-A876 WeakPolarHBondContact O-CB 3.31Å; K868-I1159 PolarHBondContact NZ-O 2.69Å; K868-Y1160 PolarHBondContact NZ-O 2.94Å; K868-R1162 WeakPolarHBondContact CE-O 3.31Å; K868-R1162 PolarHBondContact NZ-O 3.12Å; K868-L1164 HydrophobicContact CD-CD1 4.4Å; K868-L1164 HydrophobicContact CG-CD1 4.16Å
869	D	85.2	Confident	83.6	Confident	39 Å²	39	57.3 Å²	57.3	21%	0.209	27%	0.274	C	S	.	.			trans	-69.9	173.9	176.6	88.8	-67	0	0	0	113.4	C849 S871 L872 T873 T874	C849-D869 PolarHBondContact SG-O 2.94Å; C849-D869 VanDerWaalsContact SG-O 3.33Å; D869-S871 VanDerWaalsContact CG-N 3.31Å; D869-S871 PolarHBondContact O-N 3.11Å; D869-S871 PolarHBondContact OD1-OG 3.34Å; D869-S871 WeakPolarHBondContact OD2-CA 3.24Å; D869-S871 VanDerWaalsContact OD2-CB 3.26Å; D869-S871 WeakPolarHBondContact OD2-CB 3.28Å; D869-S871 PolarHBondContact OD2-N 3.06Å; D869-S871 PolarHBondContact OD2-OG 2.88Å; D869-L872 PolarHBondContact O-N 3.37Å; D869-L872 PolarHBondContact OD1-N 3.48Å; D869-T873 PolarHBondContact OD1-N 2.78Å; D869-T874 WeakPolarHBondContact CB-OG1 3.4Å; D869-T874 VanDerWaalsContact CG-OG1 3.25Å; D869-T874 PolarHBondContact N-O 3.28Å; D869-T874 PolarHBondContact OD1-N 2.87Å; D869-T874 PolarHBondContact OD1-OG1 2.84Å
870	K	80.9	Confident	84	Confident	133 Å²	133	53.8 Å²	53.8	58%	0.578	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.7	177.6	-73.1	163.6	-177.8	166.4	0	114.3	E845 L846	E845-K870 IonicContact OE1-NZ 3.71Å; E845-K870 PolarHBondContact OE1-NZ 3.01Å; L846-K870 HydrophobicContact CB-CG 4.23Å; L846-K870 HydrophobicContact CD2-CB 4.48Å; L846-K870 HydrophobicContact CD2-CG 3.72Å; L846-K870 HydrophobicContact CG-CG 4.46Å; L846-K870 VanDerWaalsContact O-CE 3.24Å; L846-K870 WeakPolarHBondContact O-CE 3.38Å
871	S	72.4	Confident	84.5	Confident	55 Å²	55	48.5 Å²	48.5	39%	0.385	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-0.4	175.2	75.7	0	0	0	0	115	D869 T873 Y1160	D869-S871 VanDerWaalsContact CG-N 3.31Å; D869-S871 PolarHBondContact O-N 3.11Å; D869-S871 PolarHBondContact OD1-OG 3.34Å; D869-S871 WeakPolarHBondContact OD2-CA 3.24Å; D869-S871 VanDerWaalsContact OD2-CB 3.26Å; D869-S871 WeakPolarHBondContact OD2-CB 3.28Å; D869-S871 PolarHBondContact OD2-N 3.06Å; D869-S871 PolarHBondContact OD2-OG 2.88Å; S871-T873 PolarHBondContact O-N 3.21Å; S871-T873 PolarHBondContact OG-OG1 3.18Å; S871-Y1160 WeakPolarHBondContact O-CE1 3.44Å
872	L	76.6	Confident	85	Confident	23 Å²	23	40.1 Å²	40.1	12%	0.12	21%	0.205	C	C	.	.	S	Bend	trans	58	23.3	-176	-65.2	164.1	0	0	0	114.2	C849 S851 K868 D869 Y1160	C849-L872 HydrophobicContact CB-CD2 4.43Å; C849-L872 WeakPolarHBondContact SG-CD2 3.4Å; S851-L872 WeakPolarHBondContact OG-CD1 3.5Å; K868-L872 HydrophobicContact CB-CD2 4.22Å; K868-L872 HydrophobicContact CD-CB 4.37Å; K868-L872 HydrophobicContact CD-CD2 4.27Å; K868-L872 WeakPolarHBondContact CD-O 3.46Å; D869-L872 PolarHBondContact O-N 3.37Å; D869-L872 PolarHBondContact OD1-N 3.48Å; L872-Y1160 HydrophobicContact CB-CD1 3.75Å; L872-Y1160 HydrophobicContact CB-CG 4.19Å
873	T	72.8	Confident	85.3	Confident	38 Å²	38	37.2 Å²	37.2	23%	0.233	19%	0.191	C	C	.	.	S	Bend	trans	-109.3	-39.5	-179.3	61.6	0	0	0	0	113.2	D869 S871 I1030 Y1160	D869-T873 PolarHBondContact OD1-N 2.78Å; S871-T873 PolarHBondContact O-N 3.21Å; S871-T873 PolarHBondContact OG-OG1 3.18Å; T873-I1030 HydrophobicContact CG2-CD1 4.3Å; T873-I1030 WeakPolarHBondContact OG1-CD1 3.29Å; T873-Y1160 HydrophobicContact CG2-CD1 4.26Å; T873-Y1160 HydrophobicContact CG2-CE1 3.8Å
874	T	75.6	Confident	85.5	Confident	54 Å²	54	34.3 Å²	34.3	33%	0.331	18%	0.178	S	C	.	.	S	Bend	trans	-108.5	157.9	-177.3	58	0	0	0	0	111.9	K868 D869 I1030	K868-T874 CarbonylContact C-O 3.53Å; K868-T874 VanDerWaalsContact CA-O 3.24Å; K868-T874 WeakPolarHBondContact CA-O 3.24Å; K868-T874 WeakPolarHBondContact CB-O 3.15Å; D869-T874 WeakPolarHBondContact CB-OG1 3.4Å; D869-T874 VanDerWaalsContact CG-OG1 3.25Å; D869-T874 PolarHBondContact N-O 3.28Å; D869-T874 PolarHBondContact OD1-N 2.87Å; D869-T874 PolarHBondContact OD1-OG1 2.84Å; T874-I1030 HydrophobicContact CG2-CD1 4.41Å
875	L	81.6	Confident	85.7	Confident	72 Å²	72	32.4 Å²	32.4	38%	0.377	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	122.8	-176.4	-161.2	153.1	0	0	0	109.9	L1164 L1167	L875-L1164 HydrophobicContact CB-CD1 4.06Å; L875-L1164 HydrophobicContact CD1-CB 4.04Å; L875-L1164 HydrophobicContact CD1-CD1 4.17Å; L875-L1164 HydrophobicContact CG-CD1 4.2Å; L875-L1167 HydrophobicContact CD1-CD1 4.28Å
876	A	82.8	Confident	85.8	Confident	14 Å²	14	32.1 Å²	32.1	12%	0.116	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	156.7	175.7	0	0	0	0	0	111.2	L867 K868 G878	L867-A876 HydrophobicContact CB-CB 4.12Å; L867-A876 PolarHBondContact O-N 3.3Å; K868-A876 WeakPolarHBondContact O-CB 3.31Å; A876-G878 PolarHBondContact O-N 3.27Å
877	K	82.3	Confident	85.9	Confident	159 Å²	159	32.9 Å²	32.9	69%	0.691	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	130	179.2	-71.4	-176.7	176.5	-177.5	0	110.7	P783	P783-K877 HydrophobicContact CB-CB 4.1Å; P783-K877 HydrophobicContact CB-CD 4.27Å; P783-K877 VanDerWaalsContact CD-O 3.26Å; P783-K877 WeakPolarHBondContact CD-O 3.47Å; P783-K877 HydrophobicContact CG-CB 3.95Å
878	G	86.9	Confident	86	Confident	17 Å²	17	36 Å²	36	18%	0.175	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	105.3	170.9	175.1	0	0	0	0	0	114.9	S780 N781 L867 A876	S780-G878 CarbonylContact O-C 3.56Å; S780-G878 WeakPolarHBondContact O-CA 3.33Å; N781-G878 VanDerWaalsContact O-CA 3.24Å; N781-G878 WeakPolarHBondContact O-CA 3.17Å; N781-G878 PolarHBondContact O-N 2.86Å; L867-G878 PolarHBondContact N-O 2.87Å; L867-G878 VanDerWaalsContact N-O 3.13Å; A876-G878 PolarHBondContact O-N 3.27Å
879	S	90.9	Very high	86.1	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.028	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	158.7	179.7	62.4	0	0	0	0	110.9	A779 S780 Y865	A779-S879 CarbonylContact C-O 3.54Å; A779-S879 WeakPolarHBondContact CA-O 3.43Å; A779-S879 WeakPolarHBondContact CB-O 3.19Å; S780-S879 PolarHBondContact N-O 3.33Å; S780-S879 PolarHBondContact O-N 2.97Å; S780-S879 PolarHBondContact OG-OG 2.91Å; Y865-S879 CarbonylContact O-C 3.56Å; Y865-S879 WeakPolarHBondContact O-CA 3.34Å; Y865-S879 WeakPolarHBondContact O-CB 3.39Å
880	I	91.7	Very high	86.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.7	177.7	-168.7	170.7	0	0	0	110.8	V776 A779 W817 V834 I836 I850 W864 Y865 L867 L882	V776-I880 HydrophobicContact CG1-CD1 4.14Å; A779-I880 HydrophobicContact CB-CB 4.35Å; A779-I880 HydrophobicContact CB-CG1 4.29Å; W817-I880 HydrophobicContact CZ3-CD1 4.38Å; V834-I880 HydrophobicContact CG1-CD1 4.15Å; I836-I880 HydrophobicContact CD1-CB 4.37Å; I836-I880 HydrophobicContact CD1-CD1 4.07Å; I836-I880 HydrophobicContact CG1-CD1 4.42Å; I850-I880 HydrophobicContact CD1-CG2 3.41Å; I850-I880 VanDerWaalsContact CD1-CG2 3.41Å; W864-I880 WeakPolarHBondContact CA-O 3.26Å; Y865-I880 PolarHBondContact N-O 2.85Å; Y865-I880 PolarHBondContact O-N 3.42Å; L867-I880 HydrophobicContact CD2-CG2 4.3Å; I880-L882 HydrophobicContact CD1-CD2 3.85Å; I880-L882 HydrophobicContact CD1-CG 4.44Å; I880-L882 HydrophobicContact CG1-CD2 3.99Å; I880-L882 HydrophobicContact CG1-CG 4.24Å; I880-L882 HydrophobicContact CG2-CD1 4.26Å; I880-L882 HydrophobicContact CG2-CG 4.2Å
881	L	92.1	Very high	86.5	Confident	6 Å²	6	34 Å²	34	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.3	173.8	-175.6	62.4	0	0	0	108.7	N777 R778 Q862 W864	N777-L881 HydrophobicContact CB-CB 4.34Å; N777-L881 HydrophobicContact CB-CD2 4.09Å; N777-L881 HydrophobicContact CB-CG 4.14Å; N777-L881 PolarHBondContact N-O 3.48Å; R778-L881 HydrophobicContact CG-CB 3.9Å; R778-L881 HydrophobicContact CG-CD2 3.97Å; R778-L881 PolarHBondContact O-N 3.26Å; Q862-L881 HydrophobicContact CB-CD1 4.03Å; W864-L881 HydrophobicContact CD2-CB 4Å; W864-L881 HydrophobicContact CD2-CD1 4.05Å; W864-L881 HydrophobicContact CE3-CB 3.82Å; W864-L881 HydrophobicContact CG-CD1 4.05Å; W864-L881 HydrophobicContact CH2-CB 4.12Å; W864-L881 HydrophobicContact CZ2-CB 4.28Å; W864-L881 HydrophobicContact CZ2-CD2 4.35Å; W864-L881 HydrophobicContact CZ3-CB 3.87Å
882	L	92.3	Very high	87.3	Confident	3 Å²	3	32 Å²	32	2%	0.016	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.1	178.9	-61.7	175.9	0	0	0	110.3	V776 V834 F852 Q862 K863 Y865 I880	V776-L882 HydrophobicContact CB-CD2 4.39Å; V776-L882 HydrophobicContact CG1-CD2 4.34Å; V776-L882 HydrophobicContact CG2-CD2 4.06Å; V834-L882 HydrophobicContact CG1-CD1 4.47Å; V834-L882 HydrophobicContact CG2-CD1 4.17Å; F852-L882 HydrophobicContact CE1-CD1 4.49Å; F852-L882 HydrophobicContact CZ-CD1 4.14Å; Q862-L882 WeakPolarHBondContact CA-O 3.48Å; K863-L882 PolarHBondContact N-O 3.28Å; K863-L882 PolarHBondContact O-N 2.55Å; K863-L882 VanDerWaalsContact O-N 3.08Å; Y865-L882 HydrophobicContact CD2-CB 4.22Å; Y865-L882 HydrophobicContact CD2-CD1 4.15Å; Y865-L882 HydrophobicContact CD2-CG 4.35Å; Y865-L882 HydrophobicContact CE2-CB 4.07Å; Y865-L882 HydrophobicContact CE2-CD1 4.38Å; I880-L882 HydrophobicContact CD1-CD2 3.85Å; I880-L882 HydrophobicContact CD1-CG 4.44Å; I880-L882 HydrophobicContact CG1-CD2 3.99Å; I880-L882 HydrophobicContact CG1-CG 4.24Å; I880-L882 HydrophobicContact CG2-CD1 4.26Å; I880-L882 HydrophobicContact CG2-CG 4.2Å
883	Q	91.5	Very high	87.8	Confident	22 Å²	22	31 Å²	31	10%	0.103	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	131.4	166.6	-166.4	174.5	-54.3	0	0	108.8	S744 V775 Q862	S744-Q883 PolarHBondContact OG-NE2 3.37Å; V775-Q883 HydrophobicContact CB-CB 4.03Å; V775-Q883 HydrophobicContact CG2-CB 4.16Å; V775-Q883 PolarHBondContact N-O 3.43Å; V775-Q883 PolarHBondContact O-N 3.36Å; Q862-Q883 HydrophobicContact CG-CB 4.05Å; Q862-Q883 HydrophobicContact CG-CG 4.04Å
884	T	91.9	Very high	88.5	Confident	2 Å²	2	31 Å²	31	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131.2	177	53	0	0	0	0	111.5	H773 V774 L857 V858 R860	H773-T884 WeakPolarHBondContact O-CA 3.25Å; V774-T884 HydrophobicContact CG1-CG2 4.33Å; V774-T884 HydrophobicContact CG2-CG2 4.39Å; L857-T884 HydrophobicContact CD1-CG2 4.02Å; L857-T884 HydrophobicContact CD2-CG2 3.8Å; L857-T884 HydrophobicContact CG-CG2 4.48Å; V858-T884 PolarHBondContact O-OG1 2.97Å; V858-T884 VanDerWaalsContact O-OG1 3.11Å; R860-T884 PolarHBondContact N-O 2.91Å
885	I	91.9	Very high	88.8	Confident	6 Å²	6	31.8 Å²	31.8	3%	0.031	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129.3	169.2	-47	178.5	0	0	0	107.7	V745 L750 W771 H773 N859 R860	V745-I885 HydrophobicContact CB-CD1 4.47Å; V745-I885 HydrophobicContact CG2-CD1 4.21Å; L750-I885 HydrophobicContact CD1-CD1 4.36Å; L750-I885 HydrophobicContact CD2-CD1 4.17Å; L750-I885 HydrophobicContact CD2-CG2 3.9Å; W771-I885 HydrophobicContact CZ3-CB 4.12Å; W771-I885 HydrophobicContact CZ3-CG2 3.94Å; H773-I885 HydrophobicContact CB-CB 4.32Å; H773-I885 PolarHBondContact N-O 3.24Å; H773-I885 PolarHBondContact O-N 2.66Å; N859-I885 WeakPolarHBondContact OD1-CA 3.39Å; R860-I885 HydrophobicContact CG-CG1 4.34Å; R860-I885 HydrophobicContact CG-CG2 4.02Å
886	I	92.2	Very high	88.9	Confident	10 Å²	10	30 Å²	30	5%	0.051	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.6	-178.1	-51	-172	0	0	0	109.5	L772 I825 M828 L857 N859 F888	L772-I886 HydrophobicContact CD1-CD1 4Å; L772-I886 HydrophobicContact CD1-CG1 3.71Å; I825-I886 HydrophobicContact CD1-CG2 3.69Å; M828-I886 HydrophobicContact CE-CG2 3.97Å; M828-I886 HydrophobicContact SD-CG2 4.39Å; L857-I886 HydrophobicContact CB-CD1 3.55Å; L857-I886 HydrophobicContact CD1-CD1 3.7Å; L857-I886 HydrophobicContact CG-CD1 4.28Å; N859-I886 PolarHBondContact ND2-O 2.79Å; N859-I886 PolarHBondContact OD1-N 3.07Å; I886-F888 HydrophobicContact CG2-CD1 4.11Å
887	I	92.2	Very high	89	Confident	22 Å²	22	29.4 Å²	29.4	11%	0.113	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126	173.3	-60.7	175	0	0	0	107	L750 V753 A754 Y757 G770 W771	L750-I887 HydrophobicContact CD2-CD1 4.29Å; L750-I887 WeakPolarHBondContact O-CD1 3.37Å; V753-I887 HydrophobicContact CB-CD1 3.84Å; V753-I887 HydrophobicContact CG1-CB 3.86Å; V753-I887 HydrophobicContact CG1-CD1 3.69Å; V753-I887 HydrophobicContact CG1-CG1 4.32Å; V753-I887 HydrophobicContact CG1-CG2 3.94Å; A754-I887 HydrophobicContact CB-CG2 4.43Å; Y757-I887 HydrophobicContact CD2-CG2 4.26Å; G770-I887 CarbonylContact C-O 3.57Å; G770-I887 VanDerWaalsContact CA-O 3.23Å; G770-I887 WeakPolarHBondContact CA-O 3.48Å; W771-I887 HydrophobicContact CZ3-CD1 4.44Å; W771-I887 PolarHBondContact N-O 2.83Å; W771-I887 PolarHBondContact O-N 3.14Å
888	F	92.4	Very high	88.8	Confident	66 Å²	66	23.8 Å²	23.8	29%	0.289	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	152.9	-174.9	72.2	-76.2	0	0	0	111.1	V769 I825 M828 I886 P890 A893	V769-F888 WeakPolarHBondContact O-CA 3.37Å; I825-F888 HydrophobicContact CD1-CB 4.5Å; M828-F888 HydrophobicContact CE-CD1 3.61Å; M828-F888 HydrophobicContact CE-CD2 4.43Å; M828-F888 HydrophobicContact CE-CE1 3.44Å; M828-F888 VanDerWaalsContact CE-CE1 3.44Å; M828-F888 HydrophobicContact CE-CE2 4.27Å; M828-F888 HydrophobicContact CE-CG 4.12Å; M828-F888 HydrophobicContact CE-CZ 3.79Å; M828-F888 HydrophobicContact CG-CD2 4.15Å; M828-F888 HydrophobicContact CG-CE2 4.06Å; M828-F888 HydrophobicContact CG-CZ 4.41Å; M828-F888 HydrophobicContact SD-CB 4.32Å; M828-F888 HydrophobicContact SD-CD1 3.91Å; M828-F888 HydrophobicContact SD-CD2 3.98Å; M828-F888 HydrophobicContact SD-CE1 4.2Å; M828-F888 HydrophobicContact SD-CE2 4.26Å; M828-F888 HydrophobicContact SD-CG 3.8Å; M828-F888 HydrophobicContact SD-CZ 4.37Å; I886-F888 HydrophobicContact CG2-CD1 4.11Å; F888-P890 HydrophobicContact CE2-CB 4.18Å; F888-P890 WeakPolarHBondContact O-CD 3.36Å; F888-A893 HydrophobicContact CD2-CB 3.97Å; F888-A893 HydrophobicContact CE2-CB 4.22Å
889	N	91.1	Very high	88.4	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.			trans	-84.7	116.9	173.4	-177.4	-60.2	0	0	0	109.5	Y757 A758 T762 V769 L891 K892 A893	Y757-N889 VanDerWaalsContact O-CB 3.25Å; Y757-N889 WeakPolarHBondContact O-CB 3.06Å; Y757-N889 PolarHBondContact O-ND2 2.63Å; A758-N889 PolarHBondContact O-ND2 2.83Å; A758-N889 VanDerWaalsContact O-ND2 3.1Å; T762-N889 PolarHBondContact OG1-ND2 2.87Å; T762-N889 PolarHBondContact OG1-OD1 3.4Å; V769-N889 PolarHBondContact O-N 3.09Å; N889-L891 VanDerWaalsContact C-N 3.35Å; N889-L891 PolarHBondContact O-N 3.48Å; N889-L891 PolarHBondContact OD1-N 3.02Å; N889-K892 HydrophobicContact CB-CB 3.97Å; N889-K892 HydrophobicContact CB-CD 3.99Å; N889-K892 HydrophobicContact CB-CG 3.91Å; N889-K892 PolarHBondContact O-N 3.18Å; N889-K892 PolarHBondContact OD1-N 3.48Å; N889-A893 WeakPolarHBondContact O-CB 3.42Å; N889-A893 PolarHBondContact O-N 2.88Å
890	P	88.6	Confident	87.7	Confident	56 Å²	56	30.8 Å²	30.8	36%	0.364	16%	0.157	S	C	.	.	H	α-helix	trans	-68.8	-31.1	-174.8	26.8	-34.4	0	0	0	113	I759 F888 A893 S894	I759-P890 HydrophobicContact CD1-CG 4.17Å; I759-P890 HydrophobicContact CG1-CG 4.2Å; F888-P890 HydrophobicContact CE2-CB 4.18Å; F888-P890 WeakPolarHBondContact O-CD 3.36Å; P890-A893 PolarHBondContact O-N 3.39Å; P890-S894 WeakPolarHBondContact O-CB 3.21Å; P890-S894 PolarHBondContact O-N 3.16Å; P890-S894 PolarHBondContact O-OG 3.47Å
891	L	86.3	Confident	87	Confident	85 Å²	85	34.2 Å²	34.2	45%	0.445	17%	0.172	S	C	.	.	H	α-helix	trans	-71	-44	176.5	-63.7	-173.9	0	0	0	111.3	I759 T762 N889 A893 S894 I895	I759-L891 HydrophobicContact CG2-CD1 3.81Å; I759-L891 HydrophobicContact CG2-CG 4.48Å; T762-L891 HydrophobicContact CG2-CB 3.82Å; T762-L891 HydrophobicContact CG2-CD1 4.42Å; N889-L891 VanDerWaalsContact C-N 3.35Å; N889-L891 PolarHBondContact O-N 3.48Å; N889-L891 PolarHBondContact OD1-N 3.02Å; L891-A893 VanDerWaalsContact C-N 3.3Å; L891-A893 PolarHBondContact O-N 2.89Å; L891-S894 PolarHBondContact O-N 3.39Å; L891-I895 WeakPolarHBondContact O-CB 3.39Å; L891-I895 VanDerWaalsContact O-CG1 3.32Å; L891-I895 WeakPolarHBondContact O-CG1 3.4Å; L891-I895 PolarHBondContact O-N 2.93Å
892	K	88.5	Confident	86.3	Confident	13 Å²	13	36.2 Å²	36.2	6%	0.057	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-43.6	172	-69.1	-170.8	176.9	-177	0	111	T762 R764 K765 D768 V769 N889 S894 I895 R896	T762-K892 HydrophobicContact CG2-CG 4.08Å; T762-K892 WeakPolarHBondContact O-CE 3.44Å; R764-K892 WeakPolarHBondContact O-CE 3.34Å; R764-K892 PolarHBondContact O-NZ 2.92Å; K765-K892 PolarHBondContact O-NZ 2.78Å; D768-K892 WeakPolarHBondContact O-CD 3.5Å; D768-K892 PolarHBondContact O-NZ 3.17Å; V769-K892 HydrophobicContact CB-CB 4.41Å; V769-K892 HydrophobicContact CG1-CB 4.11Å; V769-K892 HydrophobicContact CG2-CB 4.23Å; N889-K892 HydrophobicContact CB-CB 3.97Å; N889-K892 HydrophobicContact CB-CD 3.99Å; N889-K892 HydrophobicContact CB-CG 3.91Å; N889-K892 PolarHBondContact O-N 3.18Å; N889-K892 PolarHBondContact OD1-N 3.48Å; K892-S894 PolarHBondContact O-N 2.86Å; K892-I895 PolarHBondContact O-N 3.43Å; K892-R896 WeakPolarHBondContact O-CB 3.39Å; K892-R896 PolarHBondContact O-N 3.41Å
893	A	88.3	Confident	85.5	Confident	3 Å²	3	43.7 Å²	43.7	3%	0.025	21%	0.214	C	C	.	.	H	α-helix	trans	-62.8	-41.2	178.3	0	0	0	0	0	112.7	V769 M828 F888 N889 P890 L891 A897	V769-A893 HydrophobicContact CG1-CB 3.63Å; M828-A893 HydrophobicContact CB-CB 3.93Å; F888-A893 HydrophobicContact CD2-CB 3.97Å; F888-A893 HydrophobicContact CE2-CB 4.22Å; N889-A893 WeakPolarHBondContact O-CB 3.42Å; N889-A893 PolarHBondContact O-N 2.88Å; P890-A893 PolarHBondContact O-N 3.39Å; L891-A893 VanDerWaalsContact C-N 3.3Å; L891-A893 PolarHBondContact O-N 2.89Å; A893-A897 PolarHBondContact O-N 3.22Å
894	S	86.4	Confident	84.8	Confident	38 Å²	38	47.5 Å²	47.5	27%	0.266	23%	0.227	S	C	.	.	H	α-helix	trans	-64.9	-50.6	172.3	-72.3	0	0	0	0	112.2	P890 L891 K892 R896 A897 L1101	P890-S894 WeakPolarHBondContact O-CB 3.21Å; P890-S894 PolarHBondContact O-N 3.16Å; P890-S894 PolarHBondContact O-OG 3.47Å; L891-S894 PolarHBondContact O-N 3.39Å; K892-S894 PolarHBondContact O-N 2.86Å; S894-R896 VanDerWaalsContact C-N 3.28Å; S894-R896 PolarHBondContact O-N 3.06Å; S894-A897 WeakPolarHBondContact O-CA 3.41Å; S894-A897 WeakPolarHBondContact O-CB 3.44Å; S894-A897 PolarHBondContact O-N 2.94Å; S894-L1101 WeakPolarHBondContact O-CD1 3.3Å
895	I	82.1	Confident	83.8	Confident	69 Å²	69	49.8 Å²	49.8	35%	0.354	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-41.1	179.2	-68.9	165.5	0	0	0	110.7	L891 K892 A897 L898 Y899	L891-I895 WeakPolarHBondContact O-CB 3.39Å; L891-I895 VanDerWaalsContact O-CG1 3.32Å; L891-I895 WeakPolarHBondContact O-CG1 3.4Å; L891-I895 PolarHBondContact O-N 2.93Å; K892-I895 PolarHBondContact O-N 3.43Å; I895-A897 PolarHBondContact O-N 3.46Å; I895-L898 WeakPolarHBondContact O-CB 3.23Å; I895-L898 PolarHBondContact O-N 2.93Å; I895-L898 VanDerWaalsContact O-N 3.14Å; I895-Y899 HydrophobicContact CG2-CE2 4.07Å; I895-Y899 WeakPolarHBondContact O-CD2 3.44Å
896	R	84.9	Confident	82.7	Confident	36 Å²	36	51.6 Å²	51.6	14%	0.136	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-32.7	173.7	-176.6	69.4	172.2	96	-6.5	113	V769 E826 D827 K892 S894 L898 Y899 P900 R1151	V769-R896 HydrophobicContact CG2-CB 4.23Å; V769-R896 HydrophobicContact CG2-CG 4.32Å; E826-R896 VanDerWaalsContact O-CD 3.24Å; E826-R896 WeakPolarHBondContact O-CD 3.43Å; E826-R896 WeakPolarHBondContact O-CG 3.17Å; E826-R896 PolarHBondContact O-NE 2.89Å; D827-R896 HydrophobicContact CB-CG 4.37Å; K892-R896 WeakPolarHBondContact O-CB 3.39Å; K892-R896 PolarHBondContact O-N 3.41Å; S894-R896 VanDerWaalsContact C-N 3.28Å; S894-R896 PolarHBondContact O-N 3.06Å; R896-L898 PolarHBondContact O-N 2.67Å; R896-L898 VanDerWaalsContact O-N 3.15Å; R896-Y899 PolarHBondContact O-N 3.5Å; R896-P900 PolarHBondContact NH1-O 3.18Å; R896-R1151 PolarHBondContact O-NH2 3.11Å
897	A	84.4	Confident	81.3	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.2	179.5	0	0	0	0	0	114.2	Y829 A893 S894 I895 L1098 L1101 G1147 I1148 R1151	Y829-A897 HydrophobicContact CE2-CB 4.21Å; A893-A897 PolarHBondContact O-N 3.22Å; S894-A897 WeakPolarHBondContact O-CA 3.41Å; S894-A897 WeakPolarHBondContact O-CB 3.44Å; S894-A897 PolarHBondContact O-N 2.94Å; I895-A897 PolarHBondContact O-N 3.46Å; A897-L1098 HydrophobicContact CB-CD2 4.08Å; A897-L1101 HydrophobicContact CB-CD1 4.17Å; A897-G1147 CarbonylContact O-C 3.53Å; A897-G1147 VanDerWaalsContact O-C 3.31Å; A897-I1148 PolarHBondContact O-N 3.35Å; A897-R1151 PolarHBondContact O-NH1 3.4Å
898	L	79	Confident	79.8	Confident	41 Å²	41	59.7 Å²	59.7	22%	0.215	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-30	172.9	-60.1	169.3	0	0	0	112.9	I895 R896 L1101 T1105 L1144 I1148	I895-L898 WeakPolarHBondContact O-CB 3.23Å; I895-L898 PolarHBondContact O-N 2.93Å; I895-L898 VanDerWaalsContact O-N 3.14Å; R896-L898 PolarHBondContact O-N 2.67Å; R896-L898 VanDerWaalsContact O-N 3.15Å; L898-L1101 HydrophobicContact CD2-CD2 3.66Å; L898-L1101 HydrophobicContact CD2-CG 4.47Å; L898-L1101 HydrophobicContact CG-CD2 4.39Å; L898-T1105 HydrophobicContact CD2-CG2 3.45Å; L898-T1105 VanDerWaalsContact CD2-CG2 3.45Å; L898-L1144 HydrophobicContact CB-CD2 4.35Å; L898-L1144 WeakPolarHBondContact O-CD2 3.4Å; L898-I1148 HydrophobicContact CD2-CD1 4.17Å; L898-I1148 HydrophobicContact CD2-CG1 4.38Å
899	Y	78.4	Confident	77.7	Confident	116 Å²	116	61.4 Å²	61.4	46%	0.455	30%	0.302	S	S	.	.	S	Bend	trans	-85.3	154.3	-177.3	-65.8	-90.1	0	0	0	111.1	I895 R896 K901 R1151	I895-Y899 HydrophobicContact CG2-CE2 4.07Å; I895-Y899 WeakPolarHBondContact O-CD2 3.44Å; R896-Y899 PolarHBondContact O-N 3.5Å; Y899-K901 PolarHBondContact O-N 3.28Å; Y899-R1151 VanDerWaalsContact O-CZ 3.31Å; Y899-R1151 PolarHBondContact O-NH1 2.85Å; Y899-R1151 PolarHBondContact O-NH2 2.97Å
900	P	74.7	Confident	75.7	Confident	52 Å²	52	65.4 Å²	65.4	34%	0.338	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-51.9	139.9	176.3	18.3	-30.7	0	0	0	112.5	R896 T1142	R896-P900 PolarHBondContact NH1-O 3.18Å; P900-T1142 HydrophobicContact CB-CG2 4.3Å
901	K	77	Confident	73.6	Confident	72 Å²	72	72 Å²	72	31%	0.313	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-62.5	140.8	168.4	-170.8	163.6	179	165.9	0	108.7	Y829 Y899 K903	Y829-K901 WeakPolarHBondContact O-CE 3.48Å; Y829-K901 PolarHBondContact O-NZ 2.94Å; Y899-K901 PolarHBondContact O-N 3.28Å; K901-K903 PolarHBondContact O-N 3.37Å
902	E	78.3	Confident	71.8	Confident	48 Å²	48	70.5 Å²	70.5	22%	0.224	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-59.2	137.6	177	-172.1	-167.7	-178.9	0	0	110	V800 N801	V800-E902 WeakPolarHBondContact CB-OE2 3.09Å; V800-E902 HydrophobicContact CG1-CB 4.12Å; V800-E902 HydrophobicContact CG1-CG 4.07Å; V800-E902 VanDerWaalsContact CG1-OE2 3.27Å; V800-E902 WeakPolarHBondContact CG1-OE2 3.33Å; N801-E902 PolarHBondContact ND2-OE1 3.16Å
903	K	74.7	Confident	69.8	Low	160 Å²	160	76.5 Å²	76.5	70%	0.696	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-84.3	132.8	176.2	-70.2	-171.9	174	-170.4	0	109.6	N801 K901 L905	N801-K903 PolarHBondContact ND2-O 3.15Å; K901-K903 PolarHBondContact O-N 3.37Å; K903-L905 PolarHBondContact O-N 3.08Å
904	R	77	Confident	67.8	Low	102 Å²	102	81.7 Å²	81.7	39%	0.385	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-62.7	125.6	165.7	-66.5	-174.1	-177.9	-179.7	-0.4	109.2	V800 N801 E833	V800-R904 HydrophobicContact CG1-CG 4.05Å; N801-R904 WeakPolarHBondContact OD1-CA 3.14Å; E833-R904 VanDerWaalsContact CD-CZ 3.5Å; E833-R904 IonicContact OE1-CZ 2.79Å; E833-R904 IonicContact OE1-NH1 2.6Å; E833-R904 PolarHBondContact OE1-NH1 3.09Å; E833-R904 IonicContact OE1-NH2 2.91Å; E833-R904 PolarHBondContact OE1-NH2 3.01Å; E833-R904 IonicContact OE2-CZ 3.79Å; E833-R904 VanDerWaalsContact OE2-CZ 3.27Å; E833-R904 IonicContact OE2-NH1 3.21Å; E833-R904 PolarHBondContact OE2-NH1 2.85Å; E833-R904 IonicContact OE2-NH2 3.85Å; E833-R904 PolarHBondContact OE2-NH2 2.94Å
905	L	71.8	Confident	66.3	Low	51 Å²	51	86.4 Å²	86.4	27%	0.267	41%	0.412	S	S	.	.	S	Bend	trans	-91.5	-15.2	179.8	-63.3	172.7	0	0	0	111.8	V565 N642 L706 N801 K903	V565-L905 HydrophobicContact CG1-CB 4.29Å; V565-L905 HydrophobicContact CG1-CD1 4.43Å; V565-L905 HydrophobicContact CG1-CD2 3.96Å; V565-L905 HydrophobicContact CG1-CG 4.45Å; V565-L905 HydrophobicContact CG2-CB 4.23Å; V565-L905 HydrophobicContact CG2-CD1 4.27Å; N642-L905 WeakPolarHBondContact CA-O 3.32Å; N642-L905 WeakPolarHBondContact CB-O 3.19Å; N642-L905 PolarHBondContact OD1-O 2.75Å; L706-L905 HydrophobicContact CD1-CB 4.24Å; L706-L905 HydrophobicContact CD1-CD1 4Å; N801-L905 PolarHBondContact OD1-N 2.99Å; K903-L905 PolarHBondContact O-N 3.08Å
906	F	69.4	Low	65.3	Low	44 Å²	44	85.7 Å²	85.7	19%	0.193	41%	0.409	C	S	.	.			trans	-105.5	131.4	165.8	179.5	-115.4	0	0	0	109.9	T563 N642 R644 E908	T563-F906 HydrophobicContact CG2-CB 4.12Å; T563-F906 HydrophobicContact CG2-CD2 4.45Å; N642-F906 WeakPolarHBondContact O-CD2 3.4Å; R644-F906 HydrophobicContact CB-CD2 3.64Å; R644-F906 HydrophobicContact CB-CE2 3.39Å; R644-F906 HydrophobicContact CB-CG 4.45Å; R644-F906 HydrophobicContact CB-CZ 4Å; F906-E908 HydrophobicContact CE1-CB 3.82Å; F906-E908 HydrophobicContact CE1-CG 4Å; F906-E908 WeakPolarHBondContact CE1-OE2 3.13Å; F906-E908 HydrophobicContact CZ-CB 3.89Å; F906-E908 HydrophobicContact CZ-CG 3.77Å
907	V	62.3	Low	64	Low	88 Å²	88	86.1 Å²	86.1	53%	0.533	41%	0.411	S	S	.	.			trans	-131.7	122.5	171.3	-179.8	0	0	0	0	107.4	D909	V907-D909 PolarHBondContact O-N 2.8Å
908	E	61.3	Low	62.8	Low	113 Å²	113	89 Å²	89	53%	0.528	43%	0.429	S	S	.	.			trans	-85.1	96.4	-170	-156.8	161.9	154.4	0	0	110.4	R798 F906 S910	R798-E908 IonicContact CZ-OE2 3.96Å; R798-E908 IonicContact NH1-OE2 2.72Å; R798-E908 PolarHBondContact NH1-OE2 3.05Å; R798-E908 IonicContact NH2-OE2 2.84Å; R798-E908 PolarHBondContact NH2-OE2 3.2Å; F906-E908 HydrophobicContact CE1-CB 3.82Å; F906-E908 HydrophobicContact CE1-CG 4Å; F906-E908 WeakPolarHBondContact CE1-OE2 3.13Å; F906-E908 HydrophobicContact CZ-CB 3.89Å; F906-E908 HydrophobicContact CZ-CG 3.77Å; E908-S910 PolarHBondContact O-N 2.91Å
909	D	48	Very low	62.2	Low	103 Å²	103	93.6 Å²	93.6	55%	0.551	45%	0.447	S	S	*	.			trans	-61.9	90.6	-176.5	-82.8	-24.7	0	0	0	112.8	K631 V907 K911	K631-D909 IonicContact NZ-OD2 3.5Å; K631-D909 PolarHBondContact NZ-OD2 3.35Å; V907-D909 PolarHBondContact O-N 2.8Å; D909-K911 PolarHBondContact O-N 3.21Å
910	S	48.3	Very low	61.5	Low	83 Å²	83	92.8 Å²	92.8	58%	0.58	45%	0.446	S	S	*	.			trans	-65	106.8	169.7	70.2	0	0	0	0	109.8	E908 V912	E908-S910 PolarHBondContact O-N 2.91Å; S910-V912 PolarHBondContact O-N 2.91Å
911	K	44.7	Very low	61.2	Low	196 Å²	196	91.9 Å²	91.9	85%	0.852	44%	0.437	S	S	*	.			trans	-71.9	71.8	177.9	-66.3	-179.1	-178.4	175.1	0	111.6	D909 K913	D909-K911 PolarHBondContact O-N 3.21Å; K911-K913 PolarHBondContact O-N 3.47Å
912	V	48.1	Very low	60.8	Low	52 Å²	52	89.8 Å²	89.8	32%	0.315	43%	0.43	S	S	.	.			trans	-65.7	123.2	179.5	-176.9	0	0	0	0	110.2	S910 D916 F917	S910-V912 PolarHBondContact O-N 2.91Å; V912-D916 HydrophobicContact CG1-CB 3.79Å; V912-F917 HydrophobicContact CG1-CB 4.17Å
913	K	47.2	Very low	60.8	Low	140 Å²	140	91 Å²	91	61%	0.609	44%	0.442	S	S	*	.			trans	-69.1	158.3	177.5	-56	178.2	178.2	179	0	110.8	K911 R915 D916 F917	K911-K913 PolarHBondContact O-N 3.47Å; K913-R915 VanDerWaalsContact C-N 3.29Å; K913-R915 PolarHBondContact O-N 3.21Å; K913-R915 VanDerWaalsContact O-N 3.15Å; K913-D916 WeakPolarHBondContact CB-OD2 3.26Å; K913-D916 PolarHBondContact O-N 2.87Å; K913-F917 PolarHBondContact O-N 2.83Å
914	L	45.4	Very low	60.8	Low	111 Å²	111	85.4 Å²	85.4	58%	0.581	42%	0.419	S	S	*	.	H	α-helix	trans	-54.7	-38.9	-172.2	-144.5	76.7	0	0	0	114.7	D916	L914-D916 VanDerWaalsContact C-N 3.35Å
915	R	55.6	Low	60.7	Low	138 Å²	138	81 Å²	81	52%	0.521	40%	0.403	S	S	.	.	H	α-helix	trans	-73.5	-28.6	179.3	74.7	-172.6	-172.3	-164.6	0.6	112.5	K913 K919 D1042	K913-R915 VanDerWaalsContact C-N 3.29Å; K913-R915 PolarHBondContact O-N 3.21Å; K913-R915 VanDerWaalsContact O-N 3.15Å; R915-K919 WeakPolarHBondContact O-CG 3.1Å; R915-D1042 IonicContact CZ-OD1 2.69Å; R915-D1042 IonicContact CZ-OD2 3.81Å; R915-D1042 IonicContact NH1-OD1 2.63Å; R915-D1042 PolarHBondContact NH1-OD1 2.84Å; R915-D1042 IonicContact NH1-OD2 3.37Å; R915-D1042 IonicContact NH2-OD1 3.45Å; R915-D1042 PolarHBondContact NH2-OD1 3.43Å; R915-D1042 VanDerWaalsContact NH2-OD1 3.1Å; R915-D1042 IonicContact NH2-OD2 1.78Å; R915-D1042 PolarHBondContact NH2-OD2 3.23Å
916	D	60.6	Low	61.1	Low	54 Å²	54	80 Å²	80	29%	0.289	40%	0.397	S	S	.	.	H	α-helix	trans	-85.9	-26.3	-177.6	-50.6	-39.1	0	0	0	111.2	V912 K913 L914 K919 K920	V912-D916 HydrophobicContact CG1-CB 3.79Å; K913-D916 WeakPolarHBondContact CB-OD2 3.26Å; K913-D916 PolarHBondContact O-N 2.87Å; L914-D916 VanDerWaalsContact C-N 3.35Å; D916-K919 PolarHBondContact O-N 2.97Å; D916-K920 WeakPolarHBondContact O-CB 3.39Å; D916-K920 PolarHBondContact O-N 3.42Å
917	F	58.8	Low	61.7	Low	44 Å²	44	81.7 Å²	81.7	19%	0.193	40%	0.402	C	S	.	.	H	α-helix	trans	-58.8	-52.7	173.4	-173.1	-84.1	0	0	0	111.1	V912 K913 K919 K920 H921 R1067	V912-F917 HydrophobicContact CG1-CB 4.17Å; K913-F917 PolarHBondContact O-N 2.83Å; F917-K919 VanDerWaalsContact C-N 3.32Å; F917-K919 PolarHBondContact O-N 3.13Å; F917-K920 PolarHBondContact O-N 2.82Å; F917-H921 AromaticContact CD1-CD2 3.97Å; F917-H921 AromaticContact CD2-CD2 3.54Å; F917-H921 AromaticContact CD2-NE2 3.53Å; F917-H921 HydrophobicContact CE1-CB 4.29Å; F917-H921 AromaticContact CE1-CG 3.94Å; F917-H921 AromaticContact CE2-CD2 3.58Å; F917-H921 AromaticContact CE2-CE1 3.7Å; F917-H921 AromaticContact CE2-NE2 3.34Å; F917-H921 VanDerWaalsContact CE2-NE2 3.34Å; F917-H921 WeakPolarHBondContact CE2-NE2 3.44Å; F917-H921 AromaticContact CG-CD2 3.75Å; F917-H921 AromaticContact CZ-CD2 3.82Å; F917-H921 AromaticContact CZ-CE1 3.92Å; F917-H921 AromaticContact CZ-CG 3.86Å; F917-H921 AromaticContact CZ-ND1 3.92Å; F917-H921 AromaticContact CZ-NE2 3.89Å; F917-H921 WeakPolarHBondContact O-CB 3.11Å; F917-H921 PolarHBondContact O-CD2 2.86Å; F917-H921 PolarHBondContact O-N 3.35Å; F917-R1067 HydrophobicContact CD1-CG 3.82Å; F917-R1067 HydrophobicContact CE1-CB 4.04Å; F917-R1067 HydrophobicContact CE1-CG 3.76Å
918	T	58.4	Low	62.6	Low	60 Å²	60	77.5 Å²	77.5	37%	0.368	38%	0.377	S	S	.	.	H	α-helix	trans	-66.6	-34.4	179.6	-29.6	0	0	0	0	112	L47 L922	L47-T918 HydrophobicContact CD1-CG2 4.42Å; T918-L922 WeakPolarHBondContact O-CB 3.36Å; T918-L922 PolarHBondContact O-N 3.13Å
919	K	65.5	Low	63.4	Low	138 Å²	138	72.5 Å²	72.5	60%	0.6	35%	0.354	S	S	*	.	H	α-helix	trans	-64.6	-38.3	172.9	-78.5	-174.5	170.7	-165.8	0	112.8	R915 D916 F917 P923	R915-K919 WeakPolarHBondContact O-CG 3.1Å; D916-K919 PolarHBondContact O-N 2.97Å; F917-K919 VanDerWaalsContact C-N 3.32Å; F917-K919 PolarHBondContact O-N 3.13Å; K919-P923 WeakPolarHBondContact O-CD 3.42Å; K919-P923 VanDerWaalsContact O-CG 3.24Å; K919-P923 WeakPolarHBondContact O-CG 3.41Å
920	K	65.3	Low	65	Low	99 Å²	99	71.1 Å²	71.1	43%	0.43	35%	0.346	S	S	.	.	H	α-helix	trans	-82.7	-46.4	-176.5	-176	176.8	-179.5	-179.4	0	112.4	D916 F917 L924	D916-K920 WeakPolarHBondContact O-CB 3.39Å; D916-K920 PolarHBondContact O-N 3.42Å; F917-K920 PolarHBondContact O-N 2.82Å; K920-L924 HydrophobicContact CG-CD1 3.93Å; K920-L924 VanDerWaalsContact O-CD1 3.28Å; K920-L924 WeakPolarHBondContact O-CD1 3.4Å; K920-L924 WeakPolarHBondContact O-CG 3.5Å
921	H	67	Low	66.8	Low	33 Å²	33	68.4 Å²	68.4	15%	0.153	32%	0.323	C	S	.	.	H	α-helix	trans	-76.7	-32.4	-171.3	-74.6	-97.9	0	0	0	113.3	F917 L924 L925 Q1074	F917-H921 AromaticContact CD1-CD2 3.97Å; F917-H921 AromaticContact CD2-CD2 3.54Å; F917-H921 AromaticContact CD2-NE2 3.53Å; F917-H921 HydrophobicContact CE1-CB 4.29Å; F917-H921 AromaticContact CE1-CG 3.94Å; F917-H921 AromaticContact CE2-CD2 3.58Å; F917-H921 AromaticContact CE2-CE1 3.7Å; F917-H921 AromaticContact CE2-NE2 3.34Å; F917-H921 VanDerWaalsContact CE2-NE2 3.34Å; F917-H921 WeakPolarHBondContact CE2-NE2 3.44Å; F917-H921 AromaticContact CG-CD2 3.75Å; F917-H921 AromaticContact CZ-CD2 3.82Å; F917-H921 AromaticContact CZ-CE1 3.92Å; F917-H921 AromaticContact CZ-CG 3.86Å; F917-H921 AromaticContact CZ-ND1 3.92Å; F917-H921 AromaticContact CZ-NE2 3.89Å; F917-H921 WeakPolarHBondContact O-CB 3.11Å; F917-H921 PolarHBondContact O-CD2 2.86Å; F917-H921 PolarHBondContact O-N 3.35Å; H921-L924 PolarHBondContact O-N 2.97Å; H921-L925 WeakPolarHBondContact O-CB 3.3Å; H921-L925 PolarHBondContact O-N 2.88Å; H921-Q1074 PolarHBondContact ND1-OE1 3.4Å; H921-Q1074 PolarHBondContact O-OE1 3.4Å
922	L	70.3	Confident	68.6	Low	29 Å²	29	60.5 Å²	60.5	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-69.4	-44.6	-177.4	-172.4	65.6	0	0	0	113.7	L47 Y50 T918 L925 Q926	L47-L922 HydrophobicContact CD1-CD1 4.17Å; L47-L922 HydrophobicContact CD1-CD2 4.09Å; Y50-L922 HydrophobicContact CD2-CD1 3.82Å; Y50-L922 HydrophobicContact CD2-CD2 3.77Å; Y50-L922 HydrophobicContact CD2-CG 4.02Å; Y50-L922 HydrophobicContact CE2-CD2 3.88Å; Y50-L922 HydrophobicContact CE2-CG 4.24Å; Y50-L922 HydrophobicContact CG-CD1 4.05Å; T918-L922 WeakPolarHBondContact O-CB 3.36Å; T918-L922 PolarHBondContact O-N 3.13Å; L922-L925 PolarHBondContact O-N 3.24Å; L922-Q926 PolarHBondContact O-N 2.96Å
923	P	77.1	Confident	70.3	Confident	74 Å²	74	60.4 Å²	60.4	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-67	-35.4	173.1	-21.4	34.9	0	0	0	112.9	K919 Q926 R927	K919-P923 WeakPolarHBondContact O-CD 3.42Å; K919-P923 VanDerWaalsContact O-CG 3.24Å; K919-P923 WeakPolarHBondContact O-CG 3.41Å; P923-Q926 PolarHBondContact O-N 3.16Å; P923-R927 WeakPolarHBondContact O-CB 3.24Å; P923-R927 PolarHBondContact O-N 2.93Å
924	L	74.4	Confident	72	Confident	42 Å²	42	56.4 Å²	56.4	22%	0.22	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-43.2	175.3	-69.2	172.6	0	0	0	111.5	K920 H921 N928	K920-L924 HydrophobicContact CG-CD1 3.93Å; K920-L924 VanDerWaalsContact O-CD1 3.28Å; K920-L924 WeakPolarHBondContact O-CD1 3.4Å; K920-L924 WeakPolarHBondContact O-CG 3.5Å; H921-L924 PolarHBondContact O-N 2.97Å; L924-N928 WeakPolarHBondContact O-CB 3.26Å; L924-N928 PolarHBondContact O-N 3.07Å; L924-N928 PolarHBondContact O-OD1 2.84Å
925	L	75.3	Confident	73.9	Confident	10 Å²	10	52.9 Å²	52.9	5%	0.052	26%	0.257	C	S	.	.	H	α-helix	trans	-61.4	-47.5	173.1	179	65.5	0	0	0	111.5	M54 H921 L922 N928 I929 L1070 Q1074 A1077	M54-L925 HydrophobicContact CE-CD1 3.89Å; M54-L925 HydrophobicContact SD-CD1 4.01Å; M54-L925 HydrophobicContact SD-CD2 4.07Å; M54-L925 HydrophobicContact SD-CG 4.46Å; H921-L925 WeakPolarHBondContact O-CB 3.3Å; H921-L925 PolarHBondContact O-N 2.88Å; L922-L925 PolarHBondContact O-N 3.24Å; L925-N928 PolarHBondContact O-N 2.91Å; L925-N928 VanDerWaalsContact O-N 3.15Å; L925-I929 HydrophobicContact CD1-CD1 4.37Å; L925-I929 HydrophobicContact CG-CD1 4.17Å; L925-I929 WeakPolarHBondContact O-CG1 3.41Å; L925-I929 PolarHBondContact O-N 2.95Å; L925-L1070 HydrophobicContact CD2-CD1 3.65Å; L925-Q1074 HydrophobicContact CD1-CB 4.27Å; L925-A1077 HydrophobicContact CD1-CB 4.2Å
926	Q	79.7	Confident	75	Confident	28 Å²	28	47.9 Å²	47.9	13%	0.131	24%	0.24	C	C	.	.	H	α-helix	trans	-59.5	-49.1	179.2	-179.5	50.6	49.5	0	0	111.4	Y50 L922 P923 N928 I929 D930	Y50-Q926 HydrophobicContact CE1-CG 4.16Å; L922-Q926 PolarHBondContact O-N 2.96Å; P923-Q926 PolarHBondContact O-N 3.16Å; Q926-N928 VanDerWaalsContact C-N 3.26Å; Q926-N928 PolarHBondContact O-N 2.89Å; Q926-I929 WeakPolarHBondContact O-CB 3.5Å; Q926-I929 PolarHBondContact O-N 3.22Å; Q926-I929 VanDerWaalsContact O-N 3.13Å; Q926-D930 PolarHBondContact NE2-OD1 3.01Å; Q926-D930 PolarHBondContact NE2-OD2 3.38Å; Q926-D930 VanDerWaalsContact O-CG 3.27Å; Q926-D930 PolarHBondContact O-N 3.1Å; Q926-D930 VanDerWaalsContact O-OD2 3.1Å
927	R	82.3	Confident	76	Confident	80 Å²	80	49.3 Å²	49.3	30%	0.302	25%	0.248	S	C	.	.	H	α-helix	trans	-58	-36.3	174.5	-173.8	-168.8	67.8	-174.6	4.3	112.8	P923 D930 R931 M1156	P923-R927 WeakPolarHBondContact O-CB 3.24Å; P923-R927 PolarHBondContact O-N 2.93Å; R927-D930 PolarHBondContact O-N 2.84Å; R927-R931 WeakPolarHBondContact O-CB 3.32Å; R927-R931 WeakPolarHBondContact O-CG 3.16Å; R927-R931 PolarHBondContact O-N 3.38Å; R927-M1156 VanDerWaalsContact NH1-CE 3.31Å; R927-M1156 PolarHBondContact NH1-SD 3.43Å; R927-M1156 PolarHBondContact NH2-SD 2.88Å; R927-M1156 VanDerWaalsContact NH2-SD 3.38Å
928	N	81.2	Confident	76.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-75.8	-27	179.7	-71.6	2.7	0	0	0	113	L924 L925 Q926 R931 L932 A1077 E1078 T1081	L924-N928 WeakPolarHBondContact O-CB 3.26Å; L924-N928 PolarHBondContact O-N 3.07Å; L924-N928 PolarHBondContact O-OD1 2.84Å; L925-N928 PolarHBondContact O-N 2.91Å; L925-N928 VanDerWaalsContact O-N 3.15Å; Q926-N928 VanDerWaalsContact C-N 3.26Å; Q926-N928 PolarHBondContact O-N 2.89Å; N928-R931 PolarHBondContact OD1-NH1 3.22Å; N928-L932 PolarHBondContact O-N 3.44Å; N928-A1077 HydrophobicContact CB-CB 4.35Å; N928-E1078 PolarHBondContact ND2-OE2 2.95Å; N928-E1078 PolarHBondContact OD1-OE2 3.01Å; N928-T1081 PolarHBondContact O-OG1 3.03Å; N928-T1081 VanDerWaalsContact O-OG1 3.13Å
929	I	78.6	Confident	78.1	Confident	9 Å²	9	51.9 Å²	51.9	5%	0.046	26%	0.258	C	S	.	.	H	α-helix	trans	-70.7	-43.7	165.7	-66.4	166.6	0	0	0	109.9	M54 L925 Q926 R931 L932 T933	M54-I929 HydrophobicContact CB-CD1 4.07Å; M54-I929 HydrophobicContact CG-CD1 3.98Å; M54-I929 HydrophobicContact SD-CD1 4.33Å; L925-I929 HydrophobicContact CD1-CD1 4.37Å; L925-I929 HydrophobicContact CG-CD1 4.17Å; L925-I929 WeakPolarHBondContact O-CG1 3.41Å; L925-I929 PolarHBondContact O-N 2.95Å; Q926-I929 WeakPolarHBondContact O-CB 3.5Å; Q926-I929 PolarHBondContact O-N 3.22Å; Q926-I929 VanDerWaalsContact O-N 3.13Å; I929-R931 PolarHBondContact O-N 2.81Å; I929-L932 CarbonylContact O-C 3.57Å; I929-L932 WeakPolarHBondContact O-CA 3.43Å; I929-L932 VanDerWaalsContact O-CB 3.31Å; I929-L932 WeakPolarHBondContact O-CB 3.37Å; I929-L932 PolarHBondContact O-N 3.22Å; I929-T933 PolarHBondContact O-N 3.35Å; I929-T933 PolarHBondContact O-OG1 2.79Å
930	D	82	Confident	78.7	Confident	73 Å²	73	50.6 Å²	50.6	39%	0.39	25%	0.253	S	S	.	.	H	α-helix	trans	-67.4	-34.8	-178.4	-62.8	-34.5	0	0	0	112.6	K53 Q926 R927 L932 T933	K53-D930 IonicContact NZ-OD1 3.7Å; Q926-D930 PolarHBondContact NE2-OD1 3.01Å; Q926-D930 PolarHBondContact NE2-OD2 3.38Å; Q926-D930 VanDerWaalsContact O-CG 3.27Å; Q926-D930 PolarHBondContact O-N 3.1Å; Q926-D930 VanDerWaalsContact O-OD2 3.1Å; R927-D930 PolarHBondContact O-N 2.84Å; D930-L932 PolarHBondContact O-N 2.95Å; D930-T933 WeakPolarHBondContact CA-OG1 3.23Å; D930-T933 WeakPolarHBondContact O-CB 3.18Å; D930-T933 PolarHBondContact O-N 3.27Å; D930-T933 PolarHBondContact O-OG1 2.86Å
931	R	84.6	Confident	79.7	Confident	26 Å²	26	52 Å²	52	10%	0.098	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25	166.6	-75.3	163.7	60.9	-155.9	5	113.4	R927 N928 I929 E1078 T1081 E1085	R927-R931 WeakPolarHBondContact O-CB 3.32Å; R927-R931 WeakPolarHBondContact O-CG 3.16Å; R927-R931 PolarHBondContact O-N 3.38Å; N928-R931 PolarHBondContact OD1-NH1 3.22Å; I929-R931 PolarHBondContact O-N 2.81Å; R931-E1078 IonicContact CZ-OE1 2.83Å; R931-E1078 VanDerWaalsContact CZ-OE1 3.27Å; R931-E1078 IonicContact NH1-OE1 2.87Å; R931-E1078 PolarHBondContact NH1-OE1 2.94Å; R931-E1078 IonicContact NH1-OE2 3.27Å; R931-E1078 PolarHBondContact NH1-OE2 2.88Å; R931-E1078 IonicContact NH2-OE1 2.76Å; R931-E1078 PolarHBondContact NH2-OE1 3.44Å; R931-T1081 HydrophobicContact CB-CG2 3.46Å; R931-T1081 VanDerWaalsContact CB-CG2 3.46Å; R931-T1081 HydrophobicContact CG-CG2 4.46Å; R931-E1085 IonicContact CZ-OE1 3.12Å; R931-E1085 IonicContact CZ-OE2 2.82Å; R931-E1085 IonicContact NE-OE1 3.34Å; R931-E1085 PolarHBondContact NE-OE1 3.41Å; R931-E1085 IonicContact NE-OE2 3.77Å; R931-E1085 VanDerWaalsContact NH2-CD 3.29Å; R931-E1085 IonicContact NH2-OE1 3.63Å; R931-E1085 PolarHBondContact NH2-OE1 3.49Å; R931-E1085 VanDerWaalsContact NH2-OE1 3.12Å; R931-E1085 IonicContact NH2-OE2 2.99Å; R931-E1085 PolarHBondContact NH2-OE2 2.91Å
932	L	83.1	Confident	80.2	Confident	31 Å²	31	52.4 Å²	52.4	16%	0.162	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-25.3	-179.9	-166.2	60.7	0	0	0	112.6	N928 I929 D930 Y935 I936 I1080 L1084	N928-L932 PolarHBondContact O-N 3.44Å; I929-L932 CarbonylContact O-C 3.57Å; I929-L932 WeakPolarHBondContact O-CA 3.43Å; I929-L932 VanDerWaalsContact O-CB 3.31Å; I929-L932 WeakPolarHBondContact O-CB 3.37Å; I929-L932 PolarHBondContact O-N 3.22Å; D930-L932 PolarHBondContact O-N 2.95Å; L932-Y935 HydrophobicContact CD1-CD2 4.29Å; L932-Y935 WeakPolarHBondContact O-CB 3.32Å; L932-Y935 PolarHBondContact O-N 3.13Å; L932-I936 HydrophobicContact CB-CD1 4.21Å; L932-I936 HydrophobicContact CD2-CD1 4.04Å; L932-I936 HydrophobicContact CG-CD1 3.82Å; L932-I936 HydrophobicContact CG-CG1 4.06Å; L932-I936 PolarHBondContact O-N 3.37Å; L932-I1080 HydrophobicContact CD1-CG2 4.16Å; L932-L1084 HydrophobicContact CD1-CD1 3.61Å
933	T	84	Confident	80.9	Confident	49 Å²	49	52.8 Å²	52.8	30%	0.301	28%	0.276	S	S	.	.	H	α-helix	trans	-41.3	-52.8	177.2	-61.3	0	0	0	0	114.7	I929 D930 Y935 I936 D937	I929-T933 PolarHBondContact O-N 3.35Å; I929-T933 PolarHBondContact O-OG1 2.79Å; D930-T933 WeakPolarHBondContact CA-OG1 3.23Å; D930-T933 WeakPolarHBondContact O-CB 3.18Å; D930-T933 PolarHBondContact O-N 3.27Å; D930-T933 PolarHBondContact O-OG1 2.86Å; T933-Y935 PolarHBondContact O-N 3.37Å; T933-I936 PolarHBondContact O-N 2.72Å; T933-D937 WeakPolarHBondContact CG2-OD2 3.24Å; T933-D937 PolarHBondContact O-N 2.82Å
934	P	83.4	Confident	81.4	Confident	56 Å²	56	54.6 Å²	54.6	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-27.1	-177.9	25.2	-35.7	0	0	0	113.6	H938 F1012	P934-H938 WeakPolarHBondContact O-CB 3.33Å; P934-H938 PolarHBondContact O-N 2.82Å; P934-F1012 HydrophobicContact CB-CE1 4.33Å; P934-F1012 HydrophobicContact CB-CZ 3.98Å
935	Y	84.1	Confident	81.8	Confident	38 Å²	38	55 Å²	55	15%	0.149	28%	0.282	C	S	.	.	H	α-helix	trans	-76.6	-40.3	172.6	-56.3	-83.2	0	0	0	111.3	L932 T933 H938 I939 F1012 L1084 N1088	L932-Y935 HydrophobicContact CD1-CD2 4.29Å; L932-Y935 WeakPolarHBondContact O-CB 3.32Å; L932-Y935 PolarHBondContact O-N 3.13Å; T933-Y935 PolarHBondContact O-N 3.37Å; Y935-H938 PolarHBondContact O-N 3.32Å; Y935-I939 VanDerWaalsContact O-CG1 3.31Å; Y935-I939 WeakPolarHBondContact O-CG1 3.23Å; Y935-I939 PolarHBondContact O-N 3.2Å; Y935-F1012 AromaticContact CD1-CE2 3.97Å; Y935-F1012 HydrophobicContact CD1-CE2 3.97Å; Y935-F1012 HydrophobicContact CD1-CZ 4.29Å; Y935-F1012 HydrophobicContact CE1-CE2 4.02Å; Y935-F1012 HydrophobicContact CE1-CZ 4.12Å; Y935-L1084 HydrophobicContact CD1-CB 4.35Å; Y935-L1084 HydrophobicContact CD1-CD1 4.38Å; Y935-L1084 HydrophobicContact CD2-CD1 4.38Å; Y935-L1084 HydrophobicContact CE1-CB 4.1Å; Y935-L1084 HydrophobicContact CE2-CB 4.29Å; Y935-L1084 HydrophobicContact CG-CD1 4.09Å; Y935-N1088 PolarHBondContact OH-ND2 3.49Å; Y935-N1088 VanDerWaalsContact OH-ND2 3.09Å
936	I	80.1	Confident	82.2	Confident	32 Å²	32	61 Å²	61	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-62.4	-45.2	175.5	-66.5	164.4	0	0	0	110.8	T57 L932 T933 H938 I939 K940	T57-I936 HydrophobicContact CG2-CD1 4.28Å; L932-I936 HydrophobicContact CB-CD1 4.21Å; L932-I936 HydrophobicContact CD2-CD1 4.04Å; L932-I936 HydrophobicContact CG-CD1 3.82Å; L932-I936 HydrophobicContact CG-CG1 4.06Å; L932-I936 PolarHBondContact O-N 3.37Å; T933-I936 PolarHBondContact O-N 2.72Å; I936-H938 VanDerWaalsContact C-N 3.31Å; I936-H938 PolarHBondContact O-N 2.92Å; I936-I939 PolarHBondContact O-N 3Å; I936-K940 WeakPolarHBondContact O-CB 3.46Å; I936-K940 PolarHBondContact O-N 2.93Å
937	D	81.2	Confident	82.5	Confident	84 Å²	84	64.9 Å²	64.9	45%	0.449	33%	0.326	S	S	.	.	H	α-helix	trans	-64.5	-35.8	177.6	-75	-31.6	0	0	0	111.8	T933 K940 K941	T933-D937 WeakPolarHBondContact CG2-OD2 3.24Å; T933-D937 PolarHBondContact O-N 2.82Å; D937-K940 PolarHBondContact O-N 3.21Å; D937-K941 VanDerWaalsContact O-CB 3.26Å; D937-K941 WeakPolarHBondContact O-CB 3.35Å; D937-K941 PolarHBondContact O-N 2.9Å
938	H	78.3	Confident	82.7	Confident	63 Å²	63	65.4 Å²	65.4	29%	0.292	33%	0.331	S	S	.	.	H	α-helix	trans	-69.3	-37	174.6	-154.6	-42.7	0	0	0	112.4	P934 Y935 I936 S942 F1012	P934-H938 WeakPolarHBondContact O-CB 3.33Å; P934-H938 PolarHBondContact O-N 2.82Å; Y935-H938 PolarHBondContact O-N 3.32Å; I936-H938 VanDerWaalsContact C-N 3.31Å; I936-H938 PolarHBondContact O-N 2.92Å; H938-S942 VanDerWaalsContact O-CB 3.25Å; H938-S942 WeakPolarHBondContact O-CB 3.39Å; H938-S942 PolarHBondContact O-N 3.45Å; H938-F1012 AromaticContact CD2-CD2 3.56Å
939	I	82.5	Confident	82.9	Confident	95 Å²	95	67.6 Å²	67.6	49%	0.487	34%	0.342	S	S	.	.	H	α-helix	trans	-64.9	-45	171.6	-69	163.3	0	0	0	110.1	Y935 I936 S942 G943	Y935-I939 VanDerWaalsContact O-CG1 3.31Å; Y935-I939 WeakPolarHBondContact O-CG1 3.23Å; Y935-I939 PolarHBondContact O-N 3.2Å; I936-I939 PolarHBondContact O-N 3Å; I939-S942 WeakPolarHBondContact O-CB 3.38Å; I939-S942 PolarHBondContact O-N 3.3Å; I939-G943 PolarHBondContact O-N 2.66Å
940	K	79.2	Confident	83.1	Confident	112 Å²	112	74.9 Å²	74.9	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-45.7	178.4	-175.1	176.2	179.3	179.6	0	112.1	I936 D937 S942 G943 Q944	I936-K940 WeakPolarHBondContact O-CB 3.46Å; I936-K940 PolarHBondContact O-N 2.93Å; D937-K940 PolarHBondContact O-N 3.21Å; K940-S942 VanDerWaalsContact C-N 3.34Å; K940-G943 PolarHBondContact O-N 2.98Å; K940-Q944 WeakPolarHBondContact O-CB 3.26Å; K940-Q944 VanDerWaalsContact O-CG 3.32Å; K940-Q944 WeakPolarHBondContact O-CG 3.48Å; K940-Q944 PolarHBondContact O-N 3.47Å
941	K	85.4	Confident	83.3	Confident	129 Å²	129	74.5 Å²	74.5	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-64.5	-37.7	175	-173.1	178	179.7	-177	0	111.9	D937 T945	D937-K941 VanDerWaalsContact O-CB 3.26Å; D937-K941 WeakPolarHBondContact O-CB 3.35Å; D937-K941 PolarHBondContact O-N 2.9Å; K941-T945 PolarHBondContact O-N 3.33Å; K941-T945 PolarHBondContact O-OG1 2.66Å
942	S	77.8	Confident	83.6	Confident	41 Å²	41	79.3 Å²	79.3	29%	0.287	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-49.1	172.7	-177	0	0	0	0	111.4	H938 I939 K940 Q944 T945 F946	H938-S942 VanDerWaalsContact O-CB 3.25Å; H938-S942 WeakPolarHBondContact O-CB 3.39Å; H938-S942 PolarHBondContact O-N 3.45Å; I939-S942 WeakPolarHBondContact O-CB 3.38Å; I939-S942 PolarHBondContact O-N 3.3Å; K940-S942 VanDerWaalsContact C-N 3.34Å; S942-Q944 PolarHBondContact O-N 2.98Å; S942-T945 CarbonylContact O-C 3.45Å; S942-T945 WeakPolarHBondContact O-CA 3.19Å; S942-T945 WeakPolarHBondContact O-CB 3.39Å; S942-T945 PolarHBondContact O-N 2.78Å; S942-F946 VanDerWaalsContact O-CD2 3.31Å; S942-F946 WeakPolarHBondContact O-CD2 3.34Å; S942-F946 PolarHBondContact O-N 3.02Å; S942-F946 WeakPolarHBondContact OG-CE2 3.38Å
943	G	85.4	Confident	83.8	Confident	36 Å²	36	83 Å²	83	37%	0.371	41%	0.408	S	S	.	.	H	α-helix	trans	-60.5	-39.2	176.4	0	0	0	0	0	113.5	I939 K940 T945 F946 H947	I939-G943 PolarHBondContact O-N 2.66Å; K940-G943 PolarHBondContact O-N 2.98Å; G943-T945 VanDerWaalsContact C-N 3.31Å; G943-T945 PolarHBondContact O-N 2.92Å; G943-F946 PolarHBondContact O-N 3.11Å; G943-H947 WeakPolarHBondContact O-CB 3.44Å; G943-H947 PolarHBondContact O-N 3.24Å
944	Q	86.3	Confident	83.9	Confident	112 Å²	112	89 Å²	89	52%	0.523	43%	0.425	S	S	.	.	H	α-helix	trans	-62.3	-36.7	170.4	-75.2	174	-21.5	0	0	112.4	K940 S942 K948	K940-Q944 WeakPolarHBondContact O-CB 3.26Å; K940-Q944 VanDerWaalsContact O-CG 3.32Å; K940-Q944 WeakPolarHBondContact O-CG 3.48Å; K940-Q944 PolarHBondContact O-N 3.47Å; S942-Q944 PolarHBondContact O-N 2.98Å; Q944-K948 WeakPolarHBondContact O-CG 3.49Å; Q944-K948 PolarHBondContact O-N 3.01Å; Q944-K948 VanDerWaalsContact O-N 3.14Å
945	T	83.4	Confident	84.2	Confident	50 Å²	50	89.8 Å²	89.8	31%	0.307	43%	0.43	S	S	.	.	H	α-helix	trans	-69.2	-45.6	175.9	-53	0	0	0	0	110.8	K941 S942 G943 H947 K948 L949	K941-T945 PolarHBondContact O-N 3.33Å; K941-T945 PolarHBondContact O-OG1 2.66Å; S942-T945 CarbonylContact O-C 3.45Å; S942-T945 WeakPolarHBondContact O-CA 3.19Å; S942-T945 WeakPolarHBondContact O-CB 3.39Å; S942-T945 PolarHBondContact O-N 2.78Å; G943-T945 VanDerWaalsContact C-N 3.31Å; G943-T945 PolarHBondContact O-N 2.92Å; T945-H947 VanDerWaalsContact C-N 3.33Å; T945-H947 PolarHBondContact O-N 2.85Å; T945-K948 PolarHBondContact O-N 3.28Å; T945-K948 VanDerWaalsContact O-N 3.16Å; T945-L949 HydrophobicContact CG2-CD1 4.39Å; T945-L949 WeakPolarHBondContact O-CD1 3.36Å; T945-L949 PolarHBondContact O-N 3.21Å; T945-L949 VanDerWaalsContact O-N 3.09Å
946	F	83.4	Confident	84.6	Confident	137 Å²	137	95.7 Å²	95.7	60%	0.601	46%	0.457	S	S	*	.	H	α-helix	trans	-60.3	-39.5	173.4	-80.5	-68.4	0	0	0	112.7	S942 G943 K948 L949 Y950	S942-F946 VanDerWaalsContact O-CD2 3.31Å; S942-F946 WeakPolarHBondContact O-CD2 3.34Å; S942-F946 PolarHBondContact O-N 3.02Å; S942-F946 WeakPolarHBondContact OG-CE2 3.38Å; G943-F946 PolarHBondContact O-N 3.11Å; F946-K948 VanDerWaalsContact C-N 3.32Å; F946-K948 PolarHBondContact O-N 2.91Å; F946-L949 WeakPolarHBondContact O-CB 3.4Å; F946-L949 PolarHBondContact O-N 2.82Å; F946-Y950 WeakPolarHBondContact O-CB 3.34Å; F946-Y950 PolarHBondContact O-N 3.21Å
947	H	86.1	Confident	85	Confident	109 Å²	109	97.4 Å²	97.4	51%	0.505	47%	0.468	S	S	.	.	H	α-helix	trans	-62	-38.7	174.8	-170.8	-53	0	0	0	112	G943 T945 Y950 S951	G943-H947 WeakPolarHBondContact O-CB 3.44Å; G943-H947 PolarHBondContact O-N 3.24Å; T945-H947 VanDerWaalsContact C-N 3.33Å; T945-H947 PolarHBondContact O-N 2.85Å; H947-Y950 PolarHBondContact O-N 3.39Å; H947-S951 VanDerWaalsContact O-CB 3.31Å; H947-S951 WeakPolarHBondContact O-CB 3.37Å; H947-S951 PolarHBondContact O-N 3.41Å; H947-S951 PolarHBondContact O-OG 3.07Å; H947-S951 VanDerWaalsContact O-OG 3.09Å
948	K	86.3	Confident	85.5	Confident	92 Å²	92	93.7 Å²	93.7	40%	0.4	45%	0.449	S	S	.	.	H	α-helix	trans	-68.5	-33.4	176.7	-74.5	169.2	161.6	-72.1	0	113.2	Q944 T945 F946 E953	Q944-K948 WeakPolarHBondContact O-CG 3.49Å; Q944-K948 PolarHBondContact O-N 3.01Å; Q944-K948 VanDerWaalsContact O-N 3.14Å; T945-K948 PolarHBondContact O-N 3.28Å; T945-K948 VanDerWaalsContact O-N 3.16Å; F946-K948 VanDerWaalsContact C-N 3.32Å; F946-K948 PolarHBondContact O-N 2.91Å; K948-E953 HydrophobicContact CB-CB 4.46Å; K948-E953 WeakPolarHBondContact CD-OE2 3.39Å; K948-E953 VanDerWaalsContact CG-OE2 3.31Å; K948-E953 WeakPolarHBondContact CG-OE2 3.26Å; K948-E953 IonicContact NZ-OE1 3.78Å; K948-E953 PolarHBondContact NZ-OE1 2.75Å; K948-E953 IonicContact NZ-OE2 2.64Å; K948-E953 PolarHBondContact NZ-OE2 3.4Å; K948-E953 WeakPolarHBondContact O-CB 3.22Å; K948-E953 PolarHBondContact O-N 3.44Å; K948-E953 VanDerWaalsContact O-N 3.14Å
949	L	85.5	Confident	86.1	Confident	46 Å²	46	94.5 Å²	94.5	24%	0.241	46%	0.455	C	S	.	.	H	α-helix	trans	-66	-49.7	169.4	-93	59.9	0	0	0	110.7	T945 F946 S951 W952 S958 S961	T945-L949 HydrophobicContact CG2-CD1 4.39Å; T945-L949 WeakPolarHBondContact O-CD1 3.36Å; T945-L949 PolarHBondContact O-N 3.21Å; T945-L949 VanDerWaalsContact O-N 3.09Å; F946-L949 WeakPolarHBondContact O-CB 3.4Å; F946-L949 PolarHBondContact O-N 2.82Å; L949-S951 VanDerWaalsContact C-N 3.34Å; L949-S951 PolarHBondContact O-N 3.36Å; L949-W952 PolarHBondContact O-N 2.83Å; L949-W952 VanDerWaalsContact O-N 3.12Å; L949-S958 WeakPolarHBondContact O-CB 3.45Å; L949-S958 PolarHBondContact O-OG 2.95Å; L949-S958 VanDerWaalsContact O-OG 3.14Å; L949-S961 WeakPolarHBondContact CD2-OG 3.31Å
950	Y	83.2	Confident	86.6	Confident	162 Å²	162	94.7 Å²	94.7	64%	0.635	46%	0.456	S	S	*	.	H	α-helix	trans	-67.7	-32.3	-178	-168.4	-95.2	0	0	0	113	I71 F946 H947 W952	I71-Y950 HydrophobicContact CD1-CE1 4.11Å; F946-Y950 WeakPolarHBondContact O-CB 3.34Å; F946-Y950 PolarHBondContact O-N 3.21Å; H947-Y950 PolarHBondContact O-N 3.39Å; Y950-W952 VanDerWaalsContact O-CD1 3.25Å; Y950-W952 PolarHBondContact O-N 3.02Å
951	S	86.5	Confident	87	Confident	64 Å²	64	91.1 Å²	91.1	45%	0.448	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	13.4	173.8	75.8	0	0	0	0	113.8	H947 L949 E953	H947-S951 VanDerWaalsContact O-CB 3.31Å; H947-S951 WeakPolarHBondContact O-CB 3.37Å; H947-S951 PolarHBondContact O-N 3.41Å; H947-S951 PolarHBondContact O-OG 3.07Å; H947-S951 VanDerWaalsContact O-OG 3.09Å; L949-S951 VanDerWaalsContact C-N 3.34Å; L949-S951 PolarHBondContact O-N 3.36Å; S951-E953 PolarHBondContact O-N 2.92Å
952	W	90	Very high	87.2	Confident	128 Å²	128	88.6 Å²	88.6	49%	0.485	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	28.5	176.9	-70.7	78.2	0	0	0	115.4	L949 Y950 R954 P955 L959 L962	L949-W952 PolarHBondContact O-N 2.83Å; L949-W952 VanDerWaalsContact O-N 3.12Å; Y950-W952 VanDerWaalsContact O-CD1 3.25Å; Y950-W952 PolarHBondContact O-N 3.02Å; W952-R954 PolarHBondContact O-N 2.99Å; W952-P955 HydrophobicContact CE3-CB 4.12Å; W952-L959 HydrophobicContact CH2-CB 4.34Å; W952-L959 HydrophobicContact CH2-CD1 4.43Å; W952-L959 HydrophobicContact CZ3-CB 4.13Å; W952-L962 HydrophobicContact CH2-CD2 4.47Å; W952-L962 HydrophobicContact CZ2-CD2 4.32Å
953	E	87	Confident	87.9	Confident	109 Å²	109	90.8 Å²	90.8	51%	0.509	45%	0.445	S	S	.	.	S	Bend	trans	-58.1	-25.5	-176.6	-172.3	-171.5	-130.4	0	0	112.2	K948 S951	K948-E953 HydrophobicContact CB-CB 4.46Å; K948-E953 WeakPolarHBondContact CD-OE2 3.39Å; K948-E953 VanDerWaalsContact CG-OE2 3.31Å; K948-E953 WeakPolarHBondContact CG-OE2 3.26Å; K948-E953 IonicContact NZ-OE1 3.78Å; K948-E953 PolarHBondContact NZ-OE1 2.75Å; K948-E953 IonicContact NZ-OE2 2.64Å; K948-E953 PolarHBondContact NZ-OE2 3.4Å; K948-E953 WeakPolarHBondContact O-CB 3.22Å; K948-E953 PolarHBondContact O-N 3.44Å; K948-E953 VanDerWaalsContact O-N 3.14Å; S951-E953 PolarHBondContact O-N 2.92Å
954	R	87.9	Confident	88.1	Confident	173 Å²	173	94.2 Å²	94.2	65%	0.653	45%	0.454	S	S	*	.	S	Bend	trans	-131.8	97.6	169.9	-66.8	-175.7	175.5	-158.2	-4.6	108.8	W952 F956 V957 S958	W952-R954 PolarHBondContact O-N 2.99Å; R954-F956 PolarHBondContact O-N 2.94Å; R954-V957 HydrophobicContact CB-CB 4.01Å; R954-V957 HydrophobicContact CB-CG2 4Å; R954-V957 PolarHBondContact O-N 3.1Å; R954-V957 VanDerWaalsContact O-N 3.13Å; R954-S958 PolarHBondContact O-N 2.8Å; R954-S958 PolarHBondContact O-OG 2.69Å
955	P	88.6	Confident	88.2	Confident	74 Å²	74	94.8 Å²	94.8	48%	0.481	46%	0.455	S	S	.	.	H	α-helix	trans	-61.8	-42.4	-167.4	20	-31.9	0	0	0	113	W952 V957 S958 L959	W952-P955 HydrophobicContact CE3-CB 4.12Å; P955-V957 PolarHBondContact O-N 3.15Å; P955-S958 PolarHBondContact O-N 3.05Å; P955-L959 VanDerWaalsContact O-CB 3.28Å; P955-L959 WeakPolarHBondContact O-CB 3.41Å; P955-L959 PolarHBondContact O-N 2.93Å
956	F	92.3	Very high	88.5	Confident	162 Å²	162	96.8 Å²	96.8	71%	0.711	46%	0.461	S	S	*	.	H	α-helix	trans	-62	-40.1	176.2	-64.1	-74.2	0	0	0	113.5	R954 I960	R954-F956 PolarHBondContact O-N 2.94Å; F956-I960 WeakPolarHBondContact O-CB 3.42Å; F956-I960 WeakPolarHBondContact O-CD1 3.19Å; F956-I960 VanDerWaalsContact O-CG1 3.23Å; F956-I960 WeakPolarHBondContact O-CG1 3.41Å; F956-I960 PolarHBondContact O-N 3.15Å
957	V	88.3	Confident	88.9	Confident	67 Å²	67	94.3 Å²	94.3	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-71.2	-37.7	178.9	-178.5	0	0	0	0	110.6	R954 P955 S961	R954-V957 HydrophobicContact CB-CB 4.01Å; R954-V957 HydrophobicContact CB-CG2 4Å; R954-V957 PolarHBondContact O-N 3.1Å; R954-V957 VanDerWaalsContact O-N 3.13Å; P955-V957 PolarHBondContact O-N 3.15Å; V957-S961 VanDerWaalsContact O-CB 3.27Å; V957-S961 WeakPolarHBondContact O-CB 3.38Å; V957-S961 PolarHBondContact O-N 3.22Å; V957-S961 PolarHBondContact O-OG 3.34Å
958	S	91.6	Very high	88.9	Confident	7 Å²	7	91.2 Å²	91.2	5%	0.049	45%	0.446	C	S	.	.	H	α-helix	trans	-67.2	-43.5	177.3	-49	0	0	0	0	110.8	L949 R954 P955 S961 L962	L949-S958 WeakPolarHBondContact O-CB 3.45Å; L949-S958 PolarHBondContact O-OG 2.95Å; L949-S958 VanDerWaalsContact O-OG 3.14Å; R954-S958 PolarHBondContact O-N 2.8Å; R954-S958 PolarHBondContact O-OG 2.69Å; P955-S958 PolarHBondContact O-N 3.05Å; S958-S961 PolarHBondContact O-N 3.18Å; S958-L962 WeakPolarHBondContact O-CB 3.29Å; S958-L962 PolarHBondContact O-N 2.95Å
959	L	91.9	Very high	88.9	Confident	79 Å²	79	91.3 Å²	91.3	41%	0.414	46%	0.455	S	S	.	.	H	α-helix	trans	-61.2	-48.1	173.8	-178.3	65.7	0	0	0	112.4	W952 P955 S961 L962 I963	W952-L959 HydrophobicContact CH2-CB 4.34Å; W952-L959 HydrophobicContact CH2-CD1 4.43Å; W952-L959 HydrophobicContact CZ3-CB 4.13Å; P955-L959 VanDerWaalsContact O-CB 3.28Å; P955-L959 WeakPolarHBondContact O-CB 3.41Å; P955-L959 PolarHBondContact O-N 2.93Å; L959-S961 VanDerWaalsContact C-N 3.3Å; L959-S961 PolarHBondContact O-N 3.33Å; L959-L962 PolarHBondContact O-N 3.11Å; L959-I963 HydrophobicContact CD1-CD1 4.32Å; L959-I963 HydrophobicContact CG-CD1 4.07Å; L959-I963 WeakPolarHBondContact O-CG1 3.44Å; L959-I963 PolarHBondContact O-N 2.89Å
960	I	92.2	Very high	89	Confident	99 Å²	99	95.2 Å²	95.2	51%	0.508	48%	0.475	S	S	.	.	H	α-helix	trans	-61.3	-41.2	176	-70.5	165.1	0	0	0	110.6	F956 I963 I964	F956-I960 WeakPolarHBondContact O-CB 3.42Å; F956-I960 WeakPolarHBondContact O-CD1 3.19Å; F956-I960 VanDerWaalsContact O-CG1 3.23Å; F956-I960 WeakPolarHBondContact O-CG1 3.41Å; F956-I960 PolarHBondContact O-N 3.15Å; I960-I963 PolarHBondContact O-N 2.94Å; I960-I964 HydrophobicContact CG2-CD1 3.78Å; I960-I964 WeakPolarHBondContact O-CB 3.43Å; I960-I964 VanDerWaalsContact O-CG1 3.27Å; I960-I964 WeakPolarHBondContact O-CG1 3.11Å; I960-I964 PolarHBondContact O-N 3.28Å
961	S	87.7	Confident	89.2	Confident	38 Å²	38	94.5 Å²	94.5	27%	0.266	48%	0.476	S	S	.	.	H	α-helix	trans	-67.3	-35.2	177.9	-57.5	0	0	0	0	112.5	L949 V957 S958 L959 F965	L949-S961 WeakPolarHBondContact CD2-OG 3.31Å; V957-S961 VanDerWaalsContact O-CB 3.27Å; V957-S961 WeakPolarHBondContact O-CB 3.38Å; V957-S961 PolarHBondContact O-N 3.22Å; V957-S961 PolarHBondContact O-OG 3.34Å; S958-S961 PolarHBondContact O-N 3.18Å; L959-S961 VanDerWaalsContact C-N 3.3Å; L959-S961 PolarHBondContact O-N 3.33Å; S961-F965 WeakPolarHBondContact O-CB 3.39Å; S961-F965 PolarHBondContact O-N 2.71Å
962	L	89.6	Confident	89.3	Confident	75 Å²	75	96.5 Å²	96.5	39%	0.393	48%	0.476	S	S	.	.	H	α-helix	trans	-66.2	-47.3	172.7	-179.3	63.2	0	0	0	111	W952 S958 L959 I964 F965 E966	W952-L962 HydrophobicContact CH2-CD2 4.47Å; W952-L962 HydrophobicContact CZ2-CD2 4.32Å; S958-L962 WeakPolarHBondContact O-CB 3.29Å; S958-L962 PolarHBondContact O-N 2.95Å; L959-L962 PolarHBondContact O-N 3.11Å; L962-I964 VanDerWaalsContact C-N 3.31Å; L962-I964 PolarHBondContact O-N 3.31Å; L962-F965 CarbonylContact O-C 3.45Å; L962-F965 WeakPolarHBondContact O-CA 3.22Å; L962-F965 WeakPolarHBondContact O-CB 3.5Å; L962-F965 PolarHBondContact O-N 3.27Å; L962-E966 HydrophobicContact CD1-CG 4.43Å; L962-E966 WeakPolarHBondContact O-CG 3.2Å; L962-E966 PolarHBondContact O-N 2.69Å
963	I	92.1	Very high	89.2	Confident	88 Å²	88	95.5 Å²	95.5	45%	0.451	48%	0.477	S	S	.	.	H	α-helix	trans	-59.5	-42.5	176.3	-67.2	163.5	0	0	0	110.9	L959 I960 F965 E966 L967	L959-I963 HydrophobicContact CD1-CD1 4.32Å; L959-I963 HydrophobicContact CG-CD1 4.07Å; L959-I963 WeakPolarHBondContact O-CG1 3.44Å; L959-I963 PolarHBondContact O-N 2.89Å; I960-I963 PolarHBondContact O-N 2.94Å; I963-F965 VanDerWaalsContact C-N 3.33Å; I963-F965 PolarHBondContact O-N 2.63Å; I963-E966 PolarHBondContact O-N 2.82Å; I963-L967 HydrophobicContact CG2-CD1 3.96Å; I963-L967 HydrophobicContact CG2-CG 4.5Å; I963-L967 WeakPolarHBondContact O-CB 3.25Å; I963-L967 VanDerWaalsContact O-CG 3.24Å; I963-L967 WeakPolarHBondContact O-CG 2.88Å; I963-L967 PolarHBondContact O-N 3.26Å
964	I	90	Very high	89.1	Confident	107 Å²	107	92.9 Å²	92.9	55%	0.549	47%	0.469	S	S	.	.	H	α-helix	trans	-64.3	-37.1	174.5	-69.6	167.3	0	0	0	111.4	I960 L962 A968	I960-I964 HydrophobicContact CG2-CD1 3.78Å; I960-I964 WeakPolarHBondContact O-CB 3.43Å; I960-I964 VanDerWaalsContact O-CG1 3.27Å; I960-I964 WeakPolarHBondContact O-CG1 3.11Å; I960-I964 PolarHBondContact O-N 3.28Å; L962-I964 VanDerWaalsContact C-N 3.31Å; L962-I964 PolarHBondContact O-N 3.31Å; I964-A968 VanDerWaalsContact O-CB 3.3Å; I964-A968 WeakPolarHBondContact O-CB 3.25Å; I964-A968 PolarHBondContact O-N 3.44Å
965	F	88.8	Confident	89.2	Confident	124 Å²	124	86.9 Å²	86.9	54%	0.544	45%	0.447	S	S	.	.	H	α-helix	trans	-67.8	-46.3	176.4	177.3	-97.4	0	0	0	112.3	S961 L962 I963 A968 V969	S961-F965 WeakPolarHBondContact O-CB 3.39Å; S961-F965 PolarHBondContact O-N 2.71Å; L962-F965 CarbonylContact O-C 3.45Å; L962-F965 WeakPolarHBondContact O-CA 3.22Å; L962-F965 WeakPolarHBondContact O-CB 3.5Å; L962-F965 PolarHBondContact O-N 3.27Å; I963-F965 VanDerWaalsContact C-N 3.33Å; I963-F965 PolarHBondContact O-N 2.63Å; F965-A968 CarbonylContact O-C 3.46Å; F965-A968 WeakPolarHBondContact O-CA 3.42Å; F965-A968 WeakPolarHBondContact O-CB 3.28Å; F965-A968 PolarHBondContact O-N 3.28Å; F965-A968 VanDerWaalsContact O-N 3.14Å; F965-V969 HydrophobicContact CD1-CG2 4.23Å; F965-V969 HydrophobicContact CE1-CG2 3.77Å; F965-V969 HydrophobicContact CE2-CG2 4.11Å; F965-V969 HydrophobicContact CZ-CG2 3.7Å; F965-V969 WeakPolarHBondContact O-CG2 3.23Å; F965-V969 PolarHBondContact O-N 3.4Å
966	E	89.9	Confident	89.3	Confident	92 Å²	92	85.6 Å²	85.6	43%	0.43	44%	0.435	S	S	.	.	H	α-helix	trans	-61.6	-46.1	175.8	-66.4	-55	144.3	0	0	111.3	L962 I963 A968 V969 L970	L962-E966 HydrophobicContact CD1-CG 4.43Å; L962-E966 WeakPolarHBondContact O-CG 3.2Å; L962-E966 PolarHBondContact O-N 2.69Å; I963-E966 PolarHBondContact O-N 2.82Å; E966-A968 VanDerWaalsContact C-N 3.27Å; E966-A968 PolarHBondContact O-N 2.93Å; E966-V969 PolarHBondContact O-N 3.42Å; E966-L970 WeakPolarHBondContact O-CB 3.36Å; E966-L970 VanDerWaalsContact O-CG 3.28Å; E966-L970 WeakPolarHBondContact O-CG 3.41Å; E966-L970 PolarHBondContact O-N 3.43Å
967	L	91.1	Very high	89.1	Confident	86 Å²	86	82.6 Å²	82.6	45%	0.45	43%	0.426	S	S	.	.	H	α-helix	trans	-60.6	-36.8	173.8	-70.9	171.8	0	0	0	112	I963 F971	I963-L967 HydrophobicContact CG2-CD1 3.96Å; I963-L967 HydrophobicContact CG2-CG 4.5Å; I963-L967 WeakPolarHBondContact O-CB 3.25Å; I963-L967 VanDerWaalsContact O-CG 3.24Å; I963-L967 WeakPolarHBondContact O-CG 2.88Å; I963-L967 PolarHBondContact O-N 3.26Å; L967-F971 HydrophobicContact CD2-CD2 4.23Å; L967-F971 HydrophobicContact CD2-CE2 3.87Å; L967-F971 WeakPolarHBondContact O-CB 3.18Å; L967-F971 WeakPolarHBondContact O-CD2 3.39Å; L967-F971 PolarHBondContact O-N 3.08Å
968	A	86.5	Confident	89.1	Confident	43 Å²	43	79.9 Å²	79.9	36%	0.355	41%	0.411	S	S	.	.	H	α-helix	trans	-64.8	-49.9	172.3	0	0	0	0	0	111.1	I964 F965 E966 L970 F971 F972	I964-A968 VanDerWaalsContact O-CB 3.3Å; I964-A968 WeakPolarHBondContact O-CB 3.25Å; I964-A968 PolarHBondContact O-N 3.44Å; F965-A968 CarbonylContact O-C 3.46Å; F965-A968 WeakPolarHBondContact O-CA 3.42Å; F965-A968 WeakPolarHBondContact O-CB 3.28Å; F965-A968 PolarHBondContact O-N 3.28Å; F965-A968 VanDerWaalsContact O-N 3.14Å; E966-A968 VanDerWaalsContact C-N 3.27Å; E966-A968 PolarHBondContact O-N 2.93Å; A968-L970 VanDerWaalsContact C-N 3.25Å; A968-L970 PolarHBondContact O-N 3Å; A968-F971 PolarHBondContact O-N 3.32Å; A968-F972 WeakPolarHBondContact O-CA 3.23Å; A968-F972 WeakPolarHBondContact O-CB 3.38Å; A968-F972 PolarHBondContact O-N 2.94Å
969	V	86.7	Confident	89	Confident	94 Å²	94	84.2 Å²	84.2	57%	0.57	43%	0.429	S	S	*	.	H	α-helix	trans	-58.5	-37.2	179	172	0	0	0	0	112	F965 E966	F965-V969 HydrophobicContact CD1-CG2 4.23Å; F965-V969 HydrophobicContact CE1-CG2 3.77Å; F965-V969 HydrophobicContact CE2-CG2 4.11Å; F965-V969 HydrophobicContact CZ-CG2 3.7Å; F965-V969 WeakPolarHBondContact O-CG2 3.23Å; F965-V969 PolarHBondContact O-N 3.4Å; E966-V969 PolarHBondContact O-N 3.42Å
970	L	87.3	Confident	89	Confident	128 Å²	128	86 Å²	86	67%	0.67	43%	0.434	S	S	*	.	H	α-helix	trans	-74.4	-38.2	179.3	-69.1	169.2	0	0	0	114.1	E966 A968	E966-L970 WeakPolarHBondContact O-CB 3.36Å; E966-L970 VanDerWaalsContact O-CG 3.28Å; E966-L970 WeakPolarHBondContact O-CG 3.41Å; E966-L970 PolarHBondContact O-N 3.43Å; A968-L970 VanDerWaalsContact C-N 3.25Å; A968-L970 PolarHBondContact O-N 3Å
971	F	88	Confident	88.8	Confident	148 Å²	148	83.9 Å²	83.9	65%	0.649	42%	0.423	S	S	*	.	H	α-helix	trans	-112.5	-9.1	-171	-64.4	-70.1	0	0	0	115.4	L967 A968 Q973	L967-F971 HydrophobicContact CD2-CD2 4.23Å; L967-F971 HydrophobicContact CD2-CE2 3.87Å; L967-F971 WeakPolarHBondContact O-CB 3.18Å; L967-F971 WeakPolarHBondContact O-CD2 3.39Å; L967-F971 PolarHBondContact O-N 3.08Å; A968-F971 PolarHBondContact O-N 3.32Å; F971-Q973 PolarHBondContact O-N 2.96Å; F971-Q973 VanDerWaalsContact O-N 3.13Å
972	F	87.1	Confident	89	Confident	105 Å²	105	82.1 Å²	82.1	46%	0.461	41%	0.411	S	S	.	.			trans	-76.1	102.8	-175.7	-178.2	-96.8	0	0	0	112.4	A968 M976 I977	A968-F972 WeakPolarHBondContact O-CA 3.23Å; A968-F972 WeakPolarHBondContact O-CB 3.38Å; A968-F972 PolarHBondContact O-N 2.94Å; F972-M976 HydrophobicContact CD2-CB 4.1Å; F972-M976 HydrophobicContact CE2-CB 4.14Å; F972-I977 HydrophobicContact CE1-CD1 4.28Å; F972-I977 HydrophobicContact CE1-CG1 4.13Å; F972-I977 HydrophobicContact CE2-CG1 4.22Å; F972-I977 HydrophobicContact CZ-CD1 4.03Å; F972-I977 HydrophobicContact CZ-CG1 3.43Å; F972-I977 VanDerWaalsContact CZ-CG1 3.43Å
973	Q	88.1	Confident	89	Confident	107 Å²	107	81.9 Å²	81.9	50%	0.5	41%	0.41	S	S	.	.			trans	-94.3	149.6	170.7	-60.1	-170.2	16.8	0	0	111.2	F971 Y975 M976	F971-Q973 PolarHBondContact O-N 2.96Å; F971-Q973 VanDerWaalsContact O-N 3.13Å; Q973-Y975 HydrophobicContact CB-CD1 3.67Å; Q973-Y975 HydrophobicContact CB-CE1 3.6Å; Q973-Y975 HydrophobicContact CG-CE1 4.32Å; Q973-Y975 PolarHBondContact O-N 3.15Å; Q973-M976 VanDerWaalsContact O-CB 3.25Å; Q973-M976 WeakPolarHBondContact O-CB 3.12Å; Q973-M976 VanDerWaalsContact O-CG 3.31Å; Q973-M976 WeakPolarHBondContact O-CG 3.49Å; Q973-M976 PolarHBondContact O-N 3.31Å
974	P	85.8	Confident	88.9	Confident	54 Å²	54	80.7 Å²	80.7	35%	0.351	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.8	-170.5	-28.2	35.8	0	0	0	116.4	M976 I977 L1118	P974-M976 PolarHBondContact O-N 3.34Å; P974-I977 PolarHBondContact O-N 3.44Å; P974-L1118 HydrophobicContact CB-CB 4.4Å; P974-L1118 HydrophobicContact CB-CD1 3.58Å; P974-L1118 HydrophobicContact CG-CB 4.23Å; P974-L1118 HydrophobicContact CG-CD1 3.96Å
975	Y	88.7	Confident	88.9	Confident	47 Å²	47	75.6 Å²	75.6	18%	0.184	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-30.1	176.1	76	-95.1	0	0	0	112.7	Q973 I977 G978 F979 S1110 Y1114	Q973-Y975 HydrophobicContact CB-CD1 3.67Å; Q973-Y975 HydrophobicContact CB-CE1 3.6Å; Q973-Y975 HydrophobicContact CG-CE1 4.32Å; Q973-Y975 PolarHBondContact O-N 3.15Å; Y975-I977 PolarHBondContact O-N 3.18Å; Y975-I977 VanDerWaalsContact O-N 3.1Å; Y975-G978 PolarHBondContact O-N 2.96Å; Y975-F979 PolarHBondContact O-N 3.2Å; Y975-S1110 WeakPolarHBondContact CB-O 3.44Å; Y975-S1110 PolarHBondContact O-OG 3.38Å; Y975-S1110 VanDerWaalsContact O-OG 3.07Å; Y975-Y1114 HydrophobicContact CD1-CD2 4.05Å; Y975-Y1114 HydrophobicContact CD2-CD2 4.42Å; Y975-Y1114 AromaticContact CE1-CD2 3.65Å; Y975-Y1114 HydrophobicContact CE1-CD2 3.65Å; Y975-Y1114 HydrophobicContact CE1-CE2 4.35Å; Y975-Y1114 HydrophobicContact CE2-CD2 4.06Å; Y975-Y1114 HydrophobicContact CG-CD2 4.42Å; Y975-Y1114 AromaticContact CZ-CD2 3.65Å
976	M	91	Very high	88.9	Confident	47 Å²	47	72.8 Å²	72.8	23%	0.232	37%	0.365	C	S	.	.	H	α-helix	trans	-57	-29.2	179.5	-63.4	-64.5	-161.6	0	0	112.5	F972 Q973 P974 G978 F979 F980	F972-M976 HydrophobicContact CD2-CB 4.1Å; F972-M976 HydrophobicContact CE2-CB 4.14Å; Q973-M976 VanDerWaalsContact O-CB 3.25Å; Q973-M976 WeakPolarHBondContact O-CB 3.12Å; Q973-M976 VanDerWaalsContact O-CG 3.31Å; Q973-M976 WeakPolarHBondContact O-CG 3.49Å; Q973-M976 PolarHBondContact O-N 3.31Å; P974-M976 PolarHBondContact O-N 3.34Å; M976-G978 VanDerWaalsContact C-N 3.32Å; M976-G978 PolarHBondContact O-N 3.13Å; M976-F979 PolarHBondContact O-N 2.91Å; M976-F980 HydrophobicContact CB-CD2 4.03Å; M976-F980 HydrophobicContact CB-CE2 3.82Å; M976-F980 WeakPolarHBondContact O-CB 3.37Å; M976-F980 WeakPolarHBondContact O-CD2 3.31Å; M976-F980 WeakPolarHBondContact O-CG 3.45Å; M976-F980 PolarHBondContact O-N 3.3Å
977	I	89.5	Confident	88.8	Confident	100 Å²	100	72.3 Å²	72.3	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-57	-46.9	174.5	-61.5	168.3	0	0	0	110.8	F972 P974 Y975 L981	F972-I977 HydrophobicContact CE1-CD1 4.28Å; F972-I977 HydrophobicContact CE1-CG1 4.13Å; F972-I977 HydrophobicContact CE2-CG1 4.22Å; F972-I977 HydrophobicContact CZ-CD1 4.03Å; F972-I977 HydrophobicContact CZ-CG1 3.43Å; F972-I977 VanDerWaalsContact CZ-CG1 3.43Å; P974-I977 PolarHBondContact O-N 3.44Å; Y975-I977 PolarHBondContact O-N 3.18Å; Y975-I977 VanDerWaalsContact O-N 3.1Å; I977-L981 VanDerWaalsContact O-CB 3.28Å; I977-L981 WeakPolarHBondContact O-CB 3.45Å; I977-L981 PolarHBondContact O-N 3.42Å; I977-L981 VanDerWaalsContact O-N 3.08Å
978	G	88	Confident	88.5	Confident	9 Å²	9	70.5 Å²	70.5	9%	0.093	36%	0.355	C	S	.	.	H	α-helix	trans	-67.9	-43.3	178.5	0	0	0	0	0	111.6	Y975 M976 L981 A982 I1106	Y975-G978 PolarHBondContact O-N 2.96Å; M976-G978 VanDerWaalsContact C-N 3.32Å; M976-G978 PolarHBondContact O-N 3.13Å; G978-L981 PolarHBondContact O-N 2.8Å; G978-A982 WeakPolarHBondContact O-CB 3.42Å; G978-A982 PolarHBondContact O-N 2.95Å; G978-I1106 WeakPolarHBondContact O-CG2 3.43Å
979	F	89.5	Confident	88.5	Confident	99 Å²	99	71 Å²	71	43%	0.434	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-49.1	177.6	-175.5	-99.8	0	0	0	112.8	Y975 M976 L981 A982 L983	Y975-F979 PolarHBondContact O-N 3.2Å; M976-F979 PolarHBondContact O-N 2.91Å; F979-L981 VanDerWaalsContact C-N 3.34Å; F979-L981 PolarHBondContact O-N 3.3Å; F979-A982 PolarHBondContact O-N 3.41Å; F979-L983 WeakPolarHBondContact O-CB 3.29Å; F979-L983 PolarHBondContact O-N 3.31Å
980	F	90.9	Very high	88.5	Confident	116 Å²	116	70.3 Å²	70.3	51%	0.509	34%	0.343	S	S	.	.	H	α-helix	trans	-64.8	-36	177.8	-70.2	-52	0	0	0	112.6	M976 L983 F984	M976-F980 HydrophobicContact CB-CD2 4.03Å; M976-F980 HydrophobicContact CB-CE2 3.82Å; M976-F980 WeakPolarHBondContact O-CB 3.37Å; M976-F980 WeakPolarHBondContact O-CD2 3.31Å; M976-F980 WeakPolarHBondContact O-CG 3.45Å; M976-F980 PolarHBondContact O-N 3.3Å; F980-L983 PolarHBondContact O-N 3.28Å; F980-F984 WeakPolarHBondContact O-CB 3.28Å; F980-F984 PolarHBondContact O-N 2.78Å
981	L	88.8	Confident	88.3	Confident	55 Å²	55	67 Å²	67	29%	0.288	33%	0.328	S	S	.	.	H	α-helix	trans	-66.7	-41	174.6	-172.7	65.3	0	0	0	111.6	I977 G978 F979 F984 M985 I1106	I977-L981 VanDerWaalsContact O-CB 3.28Å; I977-L981 WeakPolarHBondContact O-CB 3.45Å; I977-L981 PolarHBondContact O-N 3.42Å; I977-L981 VanDerWaalsContact O-N 3.08Å; G978-L981 PolarHBondContact O-N 2.8Å; F979-L981 VanDerWaalsContact C-N 3.34Å; F979-L981 PolarHBondContact O-N 3.3Å; L981-F984 PolarHBondContact O-N 2.97Å; L981-M985 WeakPolarHBondContact O-CG 3.42Å; L981-M985 PolarHBondContact O-N 3.45Å; L981-I1106 HydrophobicContact CB-CG2 4.39Å; L981-I1106 HydrophobicContact CD2-CD1 3.71Å; L981-I1106 HydrophobicContact CD2-CG1 4.36Å; L981-I1106 HydrophobicContact CD2-CG2 4.45Å; L981-I1106 HydrophobicContact CG-CD1 4.19Å
982	A	91.1	Very high	87.7	Confident	1 Å²	1	63.7 Å²	63.7	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-66.3	-40.3	173.8	0	0	0	0	0	112.1	G978 F979 M985 I986 L1103 I1106 L1107	G978-A982 WeakPolarHBondContact O-CB 3.42Å; G978-A982 PolarHBondContact O-N 2.95Å; F979-A982 PolarHBondContact O-N 3.41Å; A982-M985 WeakPolarHBondContact O-CB 3.26Å; A982-M985 PolarHBondContact O-N 3.45Å; A982-I986 VanDerWaalsContact O-CG1 3.29Å; A982-I986 WeakPolarHBondContact O-CG1 3.39Å; A982-I986 PolarHBondContact O-N 2.92Å; A982-L1103 HydrophobicContact CB-CD1 4.49Å; A982-I1106 HydrophobicContact CB-CG2 4.2Å; A982-L1107 HydrophobicContact CB-CD2 3.65Å; A982-L1107 HydrophobicContact CB-CG 3.97Å
983	L	91	Very high	87.1	Confident	70 Å²	70	66.3 Å²	66.3	37%	0.366	33%	0.329	S	S	.	.	H	α-helix	trans	-61.9	-42.8	174.2	-178.1	62.5	0	0	0	111.4	F979 F980 I986 I987	F979-L983 WeakPolarHBondContact O-CB 3.29Å; F979-L983 PolarHBondContact O-N 3.31Å; F980-L983 PolarHBondContact O-N 3.28Å; L983-I986 PolarHBondContact O-N 2.96Å; L983-I987 HydrophobicContact CD1-CD1 4.29Å; L983-I987 HydrophobicContact CD1-CG1 4.47Å; L983-I987 HydrophobicContact CG-CD1 3.97Å; L983-I987 VanDerWaalsContact O-CG1 3.3Å; L983-I987 WeakPolarHBondContact O-CG1 3.32Å; L983-I987 PolarHBondContact O-N 3.39Å
984	F	89.5	Confident	86.4	Confident	62 Å²	62	65.6 Å²	65.6	27%	0.272	33%	0.327	S	S	.	.	H	α-helix	trans	-60.9	-43.7	173.9	177.3	-97.6	0	0	0	112.3	F980 L981 I986 I987 M988 F1010 C1091	F980-F984 WeakPolarHBondContact O-CB 3.28Å; F980-F984 PolarHBondContact O-N 2.78Å; L981-F984 PolarHBondContact O-N 2.97Å; F984-I986 VanDerWaalsContact C-N 3.33Å; F984-I986 PolarHBondContact O-N 3.18Å; F984-I987 PolarHBondContact O-N 3.46Å; F984-M988 HydrophobicContact CE1-CE 4.47Å; F984-M988 HydrophobicContact CE1-CG 4.2Å; F984-M988 HydrophobicContact CE2-CE 3.57Å; F984-M988 HydrophobicContact CE2-CG 4.42Å; F984-M988 HydrophobicContact CZ-CE 3.55Å; F984-M988 HydrophobicContact CZ-CG 4.16Å; F984-M988 WeakPolarHBondContact O-CB 3.24Å; F984-M988 WeakPolarHBondContact O-CG 3.17Å; F984-M988 PolarHBondContact O-N 2.75Å; F984-F1010 HydrophobicContact CE2-CD1 4.04Å; F984-F1010 HydrophobicContact CE2-CE1 4.1Å; F984-C1091 HydrophobicContact CE1-CB 3.98Å
985	M	89.8	Confident	85.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-42.6	172.5	-66.6	-84.2	-52.8	0	0	111.7	L981 A982 M988 L989 L1090 C1091 W1093 F1102 L1103	L981-M985 WeakPolarHBondContact O-CG 3.42Å; L981-M985 PolarHBondContact O-N 3.45Å; A982-M985 WeakPolarHBondContact O-CB 3.26Å; A982-M985 PolarHBondContact O-N 3.45Å; M985-M988 PolarHBondContact O-N 3.12Å; M985-L989 PolarHBondContact O-N 3.43Å; M985-L989 VanDerWaalsContact O-N 3.09Å; M985-L1090 WeakPolarHBondContact CE-O 3.5Å; M985-C1091 VanDerWaalsContact SD-CA 3.58Å; M985-C1091 HydrophobicContact SD-CB 4.25Å; M985-W1093 HydrophobicContact CE-CZ2 4.18Å; M985-W1093 PolarHBondContact O-NE1 2.96Å; M985-F1102 HydrophobicContact CE-CD1 3.97Å; M985-F1102 HydrophobicContact SD-CD1 3.98Å; M985-F1102 HydrophobicContact SD-CE1 4.13Å; M985-L1103 HydrophobicContact CB-CD1 3.99Å
986	I	89.5	Confident	84.3	Confident	65 Å²	65	71 Å²	71	33%	0.333	36%	0.355	S	S	.	.	H	α-helix	trans	-67.6	-44.6	179.2	-69.3	163.5	0	0	0	111.1	A982 L983 F984 M988 L989 I990 L1103	A982-I986 VanDerWaalsContact O-CG1 3.29Å; A982-I986 WeakPolarHBondContact O-CG1 3.39Å; A982-I986 PolarHBondContact O-N 2.92Å; L983-I986 PolarHBondContact O-N 2.96Å; F984-I986 VanDerWaalsContact C-N 3.33Å; F984-I986 PolarHBondContact O-N 3.18Å; I986-M988 VanDerWaalsContact C-N 3.31Å; I986-M988 PolarHBondContact O-N 2.82Å; I986-L989 WeakPolarHBondContact O-CB 3.33Å; I986-L989 PolarHBondContact O-N 2.98Å; I986-L989 VanDerWaalsContact O-N 3.08Å; I986-I990 HydrophobicContact CG2-CD1 3.59Å; I986-I990 HydrophobicContact CG2-CG1 4.37Å; I986-I990 WeakPolarHBondContact O-CG1 3.5Å; I986-I990 PolarHBondContact O-N 3.02Å; I986-L1103 HydrophobicContact CD1-CD1 4.08Å; I986-L1103 HydrophobicContact CG1-CD1 3.63Å
987	I	87.6	Confident	82.5	Confident	82 Å²	82	74.2 Å²	74.2	42%	0.421	38%	0.378	S	S	.	.	H	α-helix	trans	-58	-45.8	175	-70.4	167.4	0	0	0	109.9	L983 F984 L989 I990 V991	L983-I987 HydrophobicContact CD1-CD1 4.29Å; L983-I987 HydrophobicContact CD1-CG1 4.47Å; L983-I987 HydrophobicContact CG-CD1 3.97Å; L983-I987 VanDerWaalsContact O-CG1 3.3Å; L983-I987 WeakPolarHBondContact O-CG1 3.32Å; L983-I987 PolarHBondContact O-N 3.39Å; F984-I987 PolarHBondContact O-N 3.46Å; I987-L989 VanDerWaalsContact C-N 3.26Å; I987-L989 PolarHBondContact O-N 2.85Å; I987-I990 PolarHBondContact O-N 3.33Å; I987-V991 HydrophobicContact CG2-CG2 3.73Å; I987-V991 VanDerWaalsContact O-CB 3.23Å; I987-V991 WeakPolarHBondContact O-CB 3.32Å; I987-V991 VanDerWaalsContact O-CG2 3.27Å; I987-V991 WeakPolarHBondContact O-CG2 3.41Å; I987-V991 PolarHBondContact O-N 2.93Å
988	M	84.8	Confident	80.5	Confident	49 Å²	49	72 Å²	72	24%	0.241	37%	0.371	C	S	.	.	H	α-helix	trans	-67.1	-20.3	177.2	-71.2	-66.7	177.9	0	0	114.4	F984 M985 I986 P992 C1091	F984-M988 HydrophobicContact CE1-CE 4.47Å; F984-M988 HydrophobicContact CE1-CG 4.2Å; F984-M988 HydrophobicContact CE2-CE 3.57Å; F984-M988 HydrophobicContact CE2-CG 4.42Å; F984-M988 HydrophobicContact CZ-CE 3.55Å; F984-M988 HydrophobicContact CZ-CG 4.16Å; F984-M988 WeakPolarHBondContact O-CB 3.24Å; F984-M988 WeakPolarHBondContact O-CG 3.17Å; F984-M988 PolarHBondContact O-N 2.75Å; M985-M988 PolarHBondContact O-N 3.12Å; I986-M988 VanDerWaalsContact C-N 3.31Å; I986-M988 PolarHBondContact O-N 2.82Å; M988-P992 WeakPolarHBondContact O-CD 3.4Å; M988-P992 WeakPolarHBondContact O-CG 3.3Å; M988-C1091 WeakPolarHBondContact CB-O 2.98Å
989	L	86.1	Confident	78.5	Confident	52 Å²	52	77.5 Å²	77.5	27%	0.272	41%	0.408	S	S	.	.	H	α-helix	trans	-79.6	-38	171.4	-177	60.6	0	0	0	112.7	M985 I986 I987 R993 W1093	M985-L989 PolarHBondContact O-N 3.43Å; M985-L989 VanDerWaalsContact O-N 3.09Å; I986-L989 WeakPolarHBondContact O-CB 3.33Å; I986-L989 PolarHBondContact O-N 2.98Å; I986-L989 VanDerWaalsContact O-N 3.08Å; I987-L989 VanDerWaalsContact C-N 3.26Å; I987-L989 PolarHBondContact O-N 2.85Å; L989-R993 VanDerWaalsContact CD1-NH1 3.27Å; L989-W1093 HydrophobicContact CB-CD2 4.3Å; L989-W1093 HydrophobicContact CB-CG 4.4Å; L989-W1093 HydrophobicContact CB-CZ2 4.29Å; L989-W1093 HydrophobicContact CD1-CB 4.35Å; L989-W1093 HydrophobicContact CD1-CD2 3.73Å; L989-W1093 HydrophobicContact CD1-CE3 3.93Å; L989-W1093 HydrophobicContact CD1-CG 3.89Å; L989-W1093 HydrophobicContact CD2-CD2 4.38Å; L989-W1093 HydrophobicContact CD2-CE3 4.4Å; L989-W1093 HydrophobicContact CD2-CH2 3.96Å; L989-W1093 HydrophobicContact CD2-CZ2 3.9Å; L989-W1093 HydrophobicContact CD2-CZ3 4.21Å; L989-W1093 HydrophobicContact CG-CD2 4.36Å
990	I	85.7	Confident	76.4	Confident	80 Å²	80	77.4 Å²	77.4	41%	0.41	42%	0.42	S	S	.	.	H	α-helix	trans	-85.4	-43.9	-172.3	-68.7	175	0	0	0	111.2	I986 I987 R993 I994	I986-I990 HydrophobicContact CG2-CD1 3.59Å; I986-I990 HydrophobicContact CG2-CG1 4.37Å; I986-I990 WeakPolarHBondContact O-CG1 3.5Å; I986-I990 PolarHBondContact O-N 3.02Å; I987-I990 PolarHBondContact O-N 3.33Å; I990-R993 PolarHBondContact O-N 3.44Å; I990-I994 HydrophobicContact CG2-CD1 3.44Å; I990-I994 VanDerWaalsContact CG2-CD1 3.44Å; I990-I994 HydrophobicContact CG2-CG1 3.84Å; I990-I994 PolarHBondContact O-N 2.94Å
991	V	82.9	Confident	74	Confident	58 Å²	58	78.4 Å²	78.4	35%	0.352	43%	0.43	S	S	.	.	H	α-helix	trans	-52.5	-50.6	-174.6	157.4	0	0	0	0	113.1	I987 R993 I994 Y995	I987-V991 HydrophobicContact CG2-CG2 3.73Å; I987-V991 VanDerWaalsContact O-CB 3.23Å; I987-V991 WeakPolarHBondContact O-CB 3.32Å; I987-V991 VanDerWaalsContact O-CG2 3.27Å; I987-V991 WeakPolarHBondContact O-CG2 3.41Å; I987-V991 PolarHBondContact O-N 2.93Å; V991-R993 VanDerWaalsContact C-N 3.3Å; V991-R993 PolarHBondContact O-N 3.48Å; V991-I994 PolarHBondContact O-N 3.32Å; V991-Y995 HydrophobicContact CG1-CD2 3.82Å; V991-Y995 HydrophobicContact CG1-CE2 3.81Å; V991-Y995 WeakPolarHBondContact O-CD2 3.41Å; V991-Y995 PolarHBondContact O-N 3.03Å; V991-Y995 VanDerWaalsContact O-N 3.1Å
992	P	77.1	Confident	71.5	Confident	79 Å²	79	84 Å²	84	51%	0.513	45%	0.453	S	S	.	.	H	α-helix	trans	-62.3	-36.4	178.1	-23.1	34.9	0	0	0	113.1	M988 Y995 S996	M988-P992 WeakPolarHBondContact O-CD 3.4Å; M988-P992 WeakPolarHBondContact O-CG 3.3Å; P992-Y995 PolarHBondContact O-N 2.83Å; P992-S996 PolarHBondContact O-N 3.06Å; P992-S996 PolarHBondContact O-OG 3.26Å
993	R	74.4	Confident	69	Low	161 Å²	161	88 Å²	88	61%	0.608	48%	0.48	S	S	*	.	H	α-helix	trans	-70.2	-42.8	179.8	-74.5	-167.3	168.8	109.8	-3.8	112.4	L989 I990 V991 Y995 S996 T997	L989-R993 VanDerWaalsContact CD1-NH1 3.27Å; I990-R993 PolarHBondContact O-N 3.44Å; V991-R993 VanDerWaalsContact C-N 3.3Å; V991-R993 PolarHBondContact O-N 3.48Å; R993-Y995 VanDerWaalsContact C-N 3.34Å; R993-Y995 PolarHBondContact O-N 2.82Å; R993-S996 WeakPolarHBondContact CA-OG 3.48Å; R993-S996 PolarHBondContact O-N 2.9Å; R993-S996 PolarHBondContact O-OG 3.42Å; R993-T997 PolarHBondContact O-N 2.96Å; R993-T997 PolarHBondContact O-OG1 3.03Å; R993-T997 VanDerWaalsContact O-OG1 3.14Å
994	I	72.4	Confident	66.4	Low	91 Å²	91	88.7 Å²	88.7	47%	0.467	49%	0.489	S	S	.	.	H	α-helix	trans	-59.7	-47.2	173.6	-66.3	-178.3	0	0	0	109.9	I990 V991 S996 T997 S998	I990-I994 HydrophobicContact CG2-CD1 3.44Å; I990-I994 VanDerWaalsContact CG2-CD1 3.44Å; I990-I994 HydrophobicContact CG2-CG1 3.84Å; I990-I994 PolarHBondContact O-N 2.94Å; V991-I994 PolarHBondContact O-N 3.32Å; I994-S996 VanDerWaalsContact C-N 3.31Å; I994-S996 PolarHBondContact O-N 2.89Å; I994-T997 CarbonylContact O-C 3.59Å; I994-T997 PolarHBondContact O-N 2.84Å; I994-S998 WeakPolarHBondContact O-CB 3.37Å; I994-S998 PolarHBondContact O-N 2.91Å; I994-S998 PolarHBondContact O-OG 2.99Å
995	Y	66.2	Low	63.7	Low	118 Å²	118	90.8 Å²	90.8	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-66.5	-27.5	179.4	-74.2	-57.5	0	0	0	114	V991 P992 R993 T997	V991-Y995 HydrophobicContact CG1-CD2 3.82Å; V991-Y995 HydrophobicContact CG1-CE2 3.81Å; V991-Y995 WeakPolarHBondContact O-CD2 3.41Å; V991-Y995 PolarHBondContact O-N 3.03Å; V991-Y995 VanDerWaalsContact O-N 3.1Å; P992-Y995 PolarHBondContact O-N 2.83Å; R993-Y995 VanDerWaalsContact C-N 3.34Å; R993-Y995 PolarHBondContact O-N 2.82Å; Y995-T997 VanDerWaalsContact C-N 3.3Å; Y995-T997 PolarHBondContact O-N 3.13Å
996	S	64.1	Low	61.2	Low	96 Å²	96	95.9 Å²	95.9	67%	0.671	54%	0.543	S	S	*	.	H	α-helix	trans	-73	-18.1	170.9	64.8	0	0	0	0	114.4	P992 R993 I994	P992-S996 PolarHBondContact O-N 3.06Å; P992-S996 PolarHBondContact O-OG 3.26Å; R993-S996 WeakPolarHBondContact CA-OG 3.48Å; R993-S996 PolarHBondContact O-N 2.9Å; R993-S996 PolarHBondContact O-OG 3.42Å; I994-S996 VanDerWaalsContact C-N 3.31Å; I994-S996 PolarHBondContact O-N 2.89Å
997	T	53.6	Low	58.8	Low	115 Å²	115	98.9 Å²	98.9	71%	0.706	56%	0.558	S	S	*	*	H	α-helix	trans	-109.8	-13.1	-176.2	-53.2	0	0	0	0	112.9	R993 I994 Y995	R993-T997 PolarHBondContact O-N 2.96Å; R993-T997 PolarHBondContact O-OG1 3.03Å; R993-T997 VanDerWaalsContact O-OG1 3.14Å; I994-T997 CarbonylContact O-C 3.59Å; I994-T997 PolarHBondContact O-N 2.84Å; Y995-T997 VanDerWaalsContact C-N 3.3Å; Y995-T997 PolarHBondContact O-N 3.13Å
998	S	46.8	Very low	56.1	Low	53 Å²	53	98.3 Å²	98.3	37%	0.371	56%	0.556	S	S	.	*			trans	-132.9	64.8	-171.3	-56.1	0	0	0	0	112.4	I994 S1000	I994-S998 WeakPolarHBondContact O-CB 3.37Å; I994-S998 PolarHBondContact O-N 2.91Å; I994-S998 PolarHBondContact O-OG 2.99Å; S998-S1000 PolarHBondContact O-N 3.32Å
999	S	45.8	Very low	53.9	Low	125 Å²	125	103 Å²	103	87%	0.874	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-1.2	-176.6	53.3	0	0	0	0	115.8
1000	S	45.7	Very low	51.5	Low	97 Å²	97	106.7 Å²	106.7	68%	0.678	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	-14.4	-162.3	54.8	0	0	0	0	117.8	S998	S998-S1000 PolarHBondContact O-N 3.32Å
1001	L	40.9	Very low	48.9	Very low	138 Å²	138	109.9 Å²	109.9	72%	0.723	60%	0.596	S	S	*	*	S	Bend	trans	-122.4	-7.4	-162.2	-75.9	174.4	0	0	0	118.2
1002	F	37.6	Very low	46.6	Very low	173 Å²	173	110.4 Å²	110.4	76%	0.759	59%	0.594	S	S	*	*			trans	-130.3	113.6	179.3	-77.4	-78.2	0	0	0	113.8
1003	S	38.4	Very low	44.4	Very low	84 Å²	84	110.7 Å²	110.7	59%	0.587	60%	0.598	S	S	*	*			trans	-63.4	134.1	173.9	-175.8	0	0	0	0	111.3	T1005	S1003-T1005 PolarHBondContact O-N 2.73Å
1004	P	36.4	Very low	42.3	Very low	84 Å²	84	111.8 Å²	111.8	55%	0.545	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84	41.7	-167.6	36.1	-39.2	0	0	0	113.3	N1008	P1004-N1008 PolarHBondContact O-ND2 2.8Å
1005	T	31.9	Very low	40.4	Very low	107 Å²	107	110.5 Å²	110.5	66%	0.656	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-33.4	-169.1	45.7	0	0	0	0	114.8	S1003 N1008	S1003-T1005 PolarHBondContact O-N 2.73Å; T1005-N1008 PolarHBondContact O-ND2 2.83Å
1006	S	36.9	Very low	38.8	Very low	107 Å²	107	114.2 Å²	114.2	75%	0.748	62%	0.619	S	S	*	*	S	Bend	trans	-91.6	-30	-172.2	54.8	0	0	0	0	116	N1008	S1006-N1008 PolarHBondContact O-N 2.76Å
1007	I	38.8	Very low	37.2	Very low	127 Å²	127	113 Å²	113	65%	0.651	61%	0.605	S	S	*	*			trans	-100.2	39	-175.7	-38.7	-177	0	0	0	112.1
1008	N	32.2	Very low	35.9	Very low	70 Å²	70	108.8 Å²	108.8	37%	0.374	58%	0.58	S	S	.	*			trans	-83.1	-7.2	-179.6	-80.2	-66.8	0	0	0	114.7	P1004 T1005 S1006 F1010 R1011	P1004-N1008 PolarHBondContact O-ND2 2.8Å; T1005-N1008 PolarHBondContact O-ND2 2.83Å; S1006-N1008 PolarHBondContact O-N 2.76Å; N1008-F1010 VanDerWaalsContact C-N 3.32Å; N1008-F1010 PolarHBondContact O-N 3.46Å; N1008-R1011 PolarHBondContact O-N 2.8Å; N1008-R1011 PolarHBondContact OD1-NH1 3.38Å
1009	F	38.2	Very low	35.1	Very low	148 Å²	148	113.5 Å²	113.5	65%	0.649	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-29.4	-174	-156	-93.2	0	0	0	113.8
1010	F	34.9	Very low	34.4	Very low	130 Å²	130	111.3 Å²	111.3	57%	0.57	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.6	15.6	177.7	-77.6	-75.1	0	0	0	114.2	F984 N1008 F1012	F984-F1010 HydrophobicContact CE2-CD1 4.04Å; F984-F1010 HydrophobicContact CE2-CE1 4.1Å; N1008-F1010 VanDerWaalsContact C-N 3.32Å; N1008-F1010 PolarHBondContact O-N 3.46Å; F1010-F1012 PolarHBondContact O-N 3.35Å
1011	R	32	Very low	33.7	Very low	146 Å²	146	112.7 Å²	112.7	55%	0.551	58%	0.582	S	S	*	*			trans	-75	71.8	163.9	-172.7	173.7	-90.9	160.4	-15.3	108.6	N1008 S1013	N1008-R1011 PolarHBondContact O-N 2.8Å; N1008-R1011 PolarHBondContact OD1-NH1 3.38Å; R1011-S1013 PolarHBondContact O-N 2.96Å
1012	F	35.3	Very low	33.4	Very low	69 Å²	69	112.2 Å²	112.2	30%	0.303	58%	0.576	S	S	.	*			trans	-44.1	126.6	160.5	-177.8	-77.5	0	0	0	106.6	P934 Y935 H938 F1010 R1014	P934-F1012 HydrophobicContact CB-CE1 4.33Å; P934-F1012 HydrophobicContact CB-CZ 3.98Å; Y935-F1012 AromaticContact CD1-CE2 3.97Å; Y935-F1012 HydrophobicContact CD1-CE2 3.97Å; Y935-F1012 HydrophobicContact CD1-CZ 4.29Å; Y935-F1012 HydrophobicContact CE1-CE2 4.02Å; Y935-F1012 HydrophobicContact CE1-CZ 4.12Å; H938-F1012 AromaticContact CD2-CD2 3.56Å; F1010-F1012 PolarHBondContact O-N 3.35Å; F1012-R1014 PolarHBondContact O-N 2.98Å; F1012-R1014 VanDerWaalsContact O-N 3.07Å
1013	S	29.6	Very low	33	Very low	85 Å²	85	109.6 Å²	109.6	59%	0.594	57%	0.57	S	S	*	*			trans	-46	118.3	-161	-62.6	0	0	0	0	111.9	R1011 S1015	R1011-S1013 PolarHBondContact O-N 2.96Å; S1013-S1015 PolarHBondContact O-N 3.01Å
1014	R	31.8	Very low	32.4	Very low	184 Å²	184	113.4 Å²	113.4	69%	0.694	58%	0.579	S	S	*	*			trans	-69.8	80.8	163.4	-175.1	176.5	178	175.5	0.5	107.1	F1012 S1018	F1012-R1014 PolarHBondContact O-N 2.98Å; F1012-R1014 VanDerWaalsContact O-N 3.07Å; R1014-S1018 VanDerWaalsContact NE-CB 3.26Å; R1014-S1018 PolarHBondContact NE-OG 3.28Å; R1014-S1018 VanDerWaalsContact NE-OG 3.11Å; R1014-S1018 VanDerWaalsContact NH2-CB 3.26Å; R1014-S1018 PolarHBondContact NH2-OG 2.88Å
1015	S	31.4	Very low	32.3	Very low	64 Å²	64	115.3 Å²	115.3	45%	0.448	58%	0.584	S	S	.	*			trans	-54.2	166	141.3	50.6	0	0	0	0	108.9	S1013 D1017	S1013-S1015 PolarHBondContact O-N 3.01Å; S1015-D1017 WeakPolarHBondContact CB-OD1 3.48Å; S1015-D1017 PolarHBondContact O-N 3.48Å; S1015-D1017 PolarHBondContact OG-OD1 3.44Å
1016	K	33.5	Very low	32.6	Very low	196 Å²	196	116.6 Å²	116.6	85%	0.852	59%	0.587	S	S	*	*	S	Bend	trans	-72.4	8.8	-168.6	-71.9	-176.6	172.4	-174.6	0	114.8	S1018	K1016-S1018 PolarHBondContact O-N 2.94Å
1017	D	30.1	Very low	32.7	Very low	71 Å²	71	120 Å²	120	38%	0.38	59%	0.591	S	S	.	*			trans	-63.9	41.3	171.4	-38.5	46.5	0	0	0	113.2	S1015 E1021	S1015-D1017 WeakPolarHBondContact CB-OD1 3.48Å; S1015-D1017 PolarHBondContact O-N 3.48Å; S1015-D1017 PolarHBondContact OG-OD1 3.44Å; D1017-E1021 WeakPolarHBondContact CA-OE1 3.16Å
1018	S	26.3	Very low	32.5	Very low	26 Å²	26	119.7 Å²	119.7	18%	0.182	59%	0.591	C	S	.	*	S	Bend	trans	-111.3	88.3	179.1	59.1	0	0	0	0	111	R1014 K1016 S1020	R1014-S1018 VanDerWaalsContact NE-CB 3.26Å; R1014-S1018 PolarHBondContact NE-OG 3.28Å; R1014-S1018 VanDerWaalsContact NE-OG 3.11Å; R1014-S1018 VanDerWaalsContact NH2-CB 3.26Å; R1014-S1018 PolarHBondContact NH2-OG 2.88Å; K1016-S1018 PolarHBondContact O-N 2.94Å; S1018-S1020 VanDerWaalsContact C-N 3.26Å; S1018-S1020 PolarHBondContact O-N 3.45Å
1019	D	30.6	Very low	32.9	Very low	152 Å²	152	121.8 Å²	121.8	81%	0.813	60%	0.601	S	S	*	*	S	Bend	trans	67.1	14	146.3	-43.3	-58.6	0	0	0	116.8
1020	S	29.6	Very low	33.1	Very low	80 Å²	80	119.4 Å²	119.4	56%	0.559	59%	0.594	S	S	*	*			trans	-117.8	3.3	171.4	62	0	0	0	0	114.9	S1018 E1022	S1018-S1020 VanDerWaalsContact C-N 3.26Å; S1018-S1020 PolarHBondContact O-N 3.45Å; S1020-E1022 PolarHBondContact O-N 3.21Å
1021	E	31.7	Very low	33.1	Very low	125 Å²	125	118.5 Å²	118.5	58%	0.584	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	45.8	-176.9	-67	-176.9	-170.7	0	0	114.8	D1017	D1017-E1021 WeakPolarHBondContact CA-OE1 3.16Å
1022	E	34.5	Very low	33.5	Very low	129 Å²	129	116.1 Å²	116.1	60%	0.603	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	-13.7	160.9	-69.9	-141	173.9	0	0	114.2	S1020 V1201	S1020-E1022 PolarHBondContact O-N 3.21Å; E1022-V1201 HydrophobicContact CB-CG1 4.36Å; E1022-V1201 HydrophobicContact CG-CG1 4.31Å; E1022-V1201 HydrophobicContact CG-CG2 4.47Å
1023	N	28.7	Very low	33.6	Very low	118 Å²	118	121 Å²	121	63%	0.631	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135	-10	-178.2	-68.3	-69.4	0	0	0	117.5
1024	E	26.1	Very low	34.2	Very low	163 Å²	163	123.9 Å²	123.9	76%	0.762	63%	0.63	S	S	*	*	S	Bend	trans	-130.7	92.8	177.4	-68	-170.1	153.2	0	0	112.3
1025	D	34.4	Very low	34.6	Very low	125 Å²	125	125.1 Å²	125.1	67%	0.668	64%	0.636	S	S	*	*			trans	-177.9	79.1	143.9	-105.3	-19.3	0	0	0	110.2	Q1027	D1025-Q1027 PolarHBondContact O-N 2.64Å; D1025-Q1027 VanDerWaalsContact O-N 3.13Å
1026	D	37.9	Very low	34.6	Very low	134 Å²	134	123.9 Å²	123.9	72%	0.717	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	16.7	176.3	-80.2	-45.5	0	0	0	113.5	I1029	D1026-I1029 WeakPolarHBondContact O-CD1 3.37Å
1027	Q	38.6	Very low	34.4	Very low	177 Å²	177	120.2 Å²	120.2	83%	0.827	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.4	-1	-174.5	-67.4	-170.8	-8.4	0	0	115.4	D1025 I1029	D1025-Q1027 PolarHBondContact O-N 2.64Å; D1025-Q1027 VanDerWaalsContact O-N 3.13Å; Q1027-I1029 PolarHBondContact O-N 3.17Å
1028	D	35.9	Very low	34.7	Very low	122 Å²	122	125.3 Å²	125.3	65%	0.652	64%	0.638	S	S	*	*			trans	-82	17.5	164.9	-133.8	24.6	0	0	0	111.6
1029	I	39.6	Very low	34.9	Very low	113 Å²	113	128.1 Å²	128.1	58%	0.579	66%	0.657	S	S	*	*	S	Bend	trans	-70	126.3	164.3	-61.5	178.6	0	0	0	107.6	D1026 Q1027 D1031	D1026-I1029 WeakPolarHBondContact O-CD1 3.37Å; Q1027-I1029 PolarHBondContact O-N 3.17Å; I1029-D1031 PolarHBondContact O-N 2.92Å
1030	I	43.7	Very low	35.1	Very low	98 Å²	98	127.9 Å²	127.9	50%	0.503	66%	0.656	S	S	.	*			trans	-63.7	110.7	177.4	-60.5	169.1	0	0	0	109.4	T873 T874 P1032	T873-I1030 HydrophobicContact CG2-CD1 4.3Å; T873-I1030 WeakPolarHBondContact OG1-CD1 3.29Å; T874-I1030 HydrophobicContact CG2-CD1 4.41Å; I1030-P1032 WeakPolarHBondContact O-CD 3.45Å; I1030-P1032 VanDerWaalsContact O-N 3.11Å
1031	D	34.8	Very low	35.3	Very low	112 Å²	112	130.3 Å²	130.3	60%	0.599	66%	0.66	S	S	*	*			trans	-49.3	113.8	174	-87.6	-37.6	0	0	0	111.4	I1029 E1033 I1034	I1029-D1031 PolarHBondContact O-N 2.92Å; D1031-E1033 PolarHBondContact O-N 2.87Å; D1031-E1033 VanDerWaalsContact O-N 3.12Å; D1031-I1034 PolarHBondContact O-N 2.68Å
1032	P	39.8	Very low	35.3	Very low	96 Å²	96	128.9 Å²	128.9	62%	0.623	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-65.4	-14.2	177.5	-22.3	35.3	0	0	0	113	I1030 I1034 Y1035	I1030-P1032 WeakPolarHBondContact O-CD 3.45Å; I1030-P1032 VanDerWaalsContact O-N 3.11Å; P1032-I1034 VanDerWaalsContact C-N 3.27Å; P1032-I1034 PolarHBondContact O-N 3.39Å; P1032-Y1035 CarbonylContact O-C 3.57Å; P1032-Y1035 VanDerWaalsContact O-C 3.3Å; P1032-Y1035 WeakPolarHBondContact O-CA 3.33Å; P1032-Y1035 WeakPolarHBondContact O-CB 3.47Å; P1032-Y1035 PolarHBondContact O-N 3.28Å
1033	E	37.6	Very low	35.9	Very low	170 Å²	170	130.4 Å²	130.4	79%	0.794	67%	0.669	S	S	*	*	G	3₁₀ helix	trans	-69.4	-19.4	-179	-58.7	-157.6	139.5	0	0	113.8	D1031 Y1035 G1036	D1031-E1033 PolarHBondContact O-N 2.87Å; D1031-E1033 VanDerWaalsContact O-N 3.12Å; E1033-Y1035 PolarHBondContact O-N 3.27Å; E1033-G1036 PolarHBondContact O-N 3.4Å
1034	I	41.9	Very low	36.6	Very low	147 Å²	147	132.1 Å²	132.1	75%	0.754	67%	0.673	S	S	*	*	G	3₁₀ helix	trans	-69.3	-20.3	166.7	-64.5	-179.2	0	0	0	111.1	D1031 P1032 G1036	D1031-I1034 PolarHBondContact O-N 2.68Å; P1032-I1034 VanDerWaalsContact C-N 3.27Å; P1032-I1034 PolarHBondContact O-N 3.39Å; I1034-G1036 VanDerWaalsContact C-N 3.32Å
1035	Y	40	Very low	37.3	Very low	210 Å²	210	128.1 Å²	128.1	82%	0.824	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-94	24.2	167	-100.5	-91.4	0	0	0	113	P1032 E1033	P1032-Y1035 CarbonylContact O-C 3.57Å; P1032-Y1035 VanDerWaalsContact O-C 3.3Å; P1032-Y1035 WeakPolarHBondContact O-CA 3.33Å; P1032-Y1035 WeakPolarHBondContact O-CB 3.47Å; P1032-Y1035 PolarHBondContact O-N 3.28Å; E1033-Y1035 PolarHBondContact O-N 3.27Å
1036	G	31.1	Very low	37.6	Very low	37 Å²	37	129.9 Å²	129.9	38%	0.381	66%	0.661	S	S	.	*			trans	-48.1	141.5	177.8	0	0	0	0	0	114.5	E1033 I1034 Y1038	E1033-G1036 PolarHBondContact O-N 3.4Å; I1034-G1036 VanDerWaalsContact C-N 3.32Å; G1036-Y1038 WeakPolarHBondContact O-CD2 3.5Å; G1036-Y1038 PolarHBondContact O-N 2.85Å
1037	D	30.4	Very low	37.9	Very low	119 Å²	119	126.9 Å²	126.9	64%	0.636	66%	0.655	S	S	*	*			trans	-59.3	129.4	-167.5	-175.3	17	0	0	0	113.7	S1039	D1037-S1039 VanDerWaalsContact OD1-CB 3.32Å; D1037-S1039 WeakPolarHBondContact OD1-CB 3.23Å; D1037-S1039 PolarHBondContact OD1-N 3.41Å; D1037-S1039 PolarHBondContact OD1-OG 3.43Å
1038	Y	35.1	Very low	38.1	Very low	179 Å²	179	124 Å²	124	70%	0.702	64%	0.644	S	S	*	*			trans	-147.9	44.1	170.4	-73.6	-63.1	0	0	0	110.1	G1036	G1036-Y1038 WeakPolarHBondContact O-CD2 3.5Å; G1036-Y1038 PolarHBondContact O-N 2.85Å
1039	S	30.7	Very low	38.4	Very low	85 Å²	85	123.6 Å²	123.6	59%	0.594	64%	0.641	S	S	*	*			trans	-66.9	-34.4	-177.8	-57.1	0	0	0	0	113.2	D1037 M1041	D1037-S1039 VanDerWaalsContact OD1-CB 3.32Å; D1037-S1039 WeakPolarHBondContact OD1-CB 3.23Å; D1037-S1039 PolarHBondContact OD1-N 3.41Å; D1037-S1039 PolarHBondContact OD1-OG 3.43Å; S1039-M1041 PolarHBondContact O-N 3.19Å; S1039-M1041 VanDerWaalsContact O-N 3.17Å
1040	D	35.7	Very low	38.6	Very low	147 Å²	147	126.8 Å²	126.8	79%	0.786	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	33.7	-162.2	-63.1	-11.9	0	0	0	115.3
1041	M	32.2	Very low	38.5	Very low	131 Å²	131	133.4 Å²	133.4	65%	0.645	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.3	10.5	-175.4	-68.9	-63.9	-49.2	0	0	115.4	S1039	S1039-M1041 PolarHBondContact O-N 3.19Å; S1039-M1041 VanDerWaalsContact O-N 3.17Å
1042	D	33.2	Very low	38.6	Very low	95 Å²	95	136.4 Å²	136.4	51%	0.508	68%	0.677	S	S	.	*			trans	-96.3	93.8	177.3	-80.8	-14	0	0	0	111.4	R915	R915-D1042 IonicContact CZ-OD1 2.69Å; R915-D1042 IonicContact CZ-OD2 3.81Å; R915-D1042 IonicContact NH1-OD1 2.63Å; R915-D1042 PolarHBondContact NH1-OD1 2.84Å; R915-D1042 IonicContact NH1-OD2 3.37Å; R915-D1042 IonicContact NH2-OD1 3.45Å; R915-D1042 PolarHBondContact NH2-OD1 3.43Å; R915-D1042 VanDerWaalsContact NH2-OD1 3.1Å; R915-D1042 IonicContact NH2-OD2 1.78Å; R915-D1042 PolarHBondContact NH2-OD2 3.23Å
1043	D	45.4	Very low	38.5	Very low	160 Å²	160	140.4 Å²	140.4	86%	0.856	69%	0.685	S	S	*	*	S	Bend	trans	-168.2	-40.7	149.8	-109.2	-15.7	0	0	0	113.5
1044	E	43.6	Very low	38.9	Very low	154 Å²	154	139 Å²	139	72%	0.72	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-32.9	-171.8	-73.8	-154.1	140	0	0	116.2	E1046 A1047	E1044-E1046 VanDerWaalsContact C-N 3.26Å; E1044-E1046 PolarHBondContact O-N 3.09Å; E1044-E1046 VanDerWaalsContact O-N 3.15Å; E1044-A1047 PolarHBondContact O-N 3.3Å; E1044-A1047 VanDerWaalsContact O-N 3.16Å
1045	D	41.1	Very low	39.1	Very low	80 Å²	80	140.4 Å²	140.4	43%	0.428	68%	0.684	S	S	.	*	H	α-helix	trans	-70.8	-15	-163.3	-98.8	-25.4	0	0	0	114.2	K36 L1049	K36-D1045 IonicContact NZ-OD1 2.77Å; K36-D1045 PolarHBondContact NZ-OD1 2.81Å; K36-D1045 IonicContact NZ-OD2 2.68Å; K36-D1045 PolarHBondContact NZ-OD2 3.08Å; D1045-L1049 WeakPolarHBondContact O-CD1 3.28Å
1046	E	42.2	Very low	39.5	Very low	162 Å²	162	134 Å²	134	76%	0.757	66%	0.66	S	S	*	*	H	α-helix	trans	-78.5	-29.6	173.9	-173.2	159.7	-154.7	0	0	113	E1044	E1044-E1046 VanDerWaalsContact C-N 3.26Å; E1044-E1046 PolarHBondContact O-N 3.09Å; E1044-E1046 VanDerWaalsContact O-N 3.15Å
1047	A	43.9	Very low	40.6	Very low	71 Å²	71	136.1 Å²	136.1	59%	0.587	67%	0.669	S	S	*	*	H	α-helix	trans	-69.5	-40.7	179.9	0	0	0	0	0	112.3	E1044 L1049 K1050	E1044-A1047 PolarHBondContact O-N 3.3Å; E1044-A1047 VanDerWaalsContact O-N 3.16Å; A1047-L1049 PolarHBondContact O-N 3.45Å; A1047-K1050 PolarHBondContact O-N 3.41Å
1048	I	42.1	Very low	41.9	Very low	116 Å²	116	133.7 Å²	133.7	60%	0.595	66%	0.662	S	S	*	*	H	α-helix	trans	-68.5	-23.8	-174.7	-60.6	176.6	0	0	0	111.6	K1050	I1048-K1050 PolarHBondContact O-N 2.89Å; I1048-K1050 VanDerWaalsContact O-N 3.15Å
1049	L	42.1	Very low	42.8	Very low	114 Å²	114	130.3 Å²	130.3	60%	0.597	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-11.4	179.2	-105.3	89.6	0	0	0	114.8	D1045 A1047 R1051 K1056	D1045-L1049 WeakPolarHBondContact O-CD1 3.28Å; A1047-L1049 PolarHBondContact O-N 3.45Å; L1049-R1051 PolarHBondContact O-N 3.44Å; L1049-K1056 PolarHBondContact O-NZ 3.43Å
1050	K	43.2	Very low	44	Very low	180 Å²	180	129.7 Å²	129.7	78%	0.783	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-3.9	-174.7	-74.2	174.7	178.5	166.4	0	116.2	A1047 I1048	A1047-K1050 PolarHBondContact O-N 3.41Å; I1048-K1050 PolarHBondContact O-N 2.89Å; I1048-K1050 VanDerWaalsContact O-N 3.15Å
1051	R	41.5	Very low	45.4	Very low	236 Å²	236	125.3 Å²	125.3	89%	0.891	63%	0.632	S	S	*	*	S	Bend	trans	-108.3	8.2	-166.9	-92.6	-176.8	175.5	161.1	-0	119.8	L1049	L1049-R1051 PolarHBondContact O-N 3.44Å
1052	K	37.4	Very low	46.9	Very low	176 Å²	176	126 Å²	126	77%	0.765	63%	0.631	S	S	*	*			trans	-140.9	111.7	165	-69.4	-169.2	179.3	-176.6	0	109.4	K1056	K1052-K1056 VanDerWaalsContact O-CD 3.31Å; K1052-K1056 WeakPolarHBondContact O-CD 3.4Å; K1052-K1056 VanDerWaalsContact O-CE 3.29Å; K1052-K1056 WeakPolarHBondContact O-CE 3.3Å; K1052-K1056 WeakPolarHBondContact O-CG 3.46Å
1053	K	39	Very low	48.1	Very low	179 Å²	179	125.9 Å²	125.9	78%	0.778	63%	0.63	S	S	*	*			trans	-94	-33.5	-164.3	-153	174.9	-176.1	-176	0	113
1054	D	44.8	Very low	49	Very low	141 Å²	141	122.3 Å²	122.3	75%	0.754	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-9.8	-153.6	-38.2	-73.9	0	0	0	114.6
1055	K	47	Very low	50.2	Low	177 Å²	177	121.4 Å²	121.4	77%	0.77	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	8.8	172.1	-68.3	-168.2	175.9	-174.4	0	113.9
1056	K	46.9	Very low	51.4	Low	74 Å²	74	121.5 Å²	121.5	32%	0.322	61%	0.605	S	S	.	*	H	α-helix	trans	-86.4	-40.1	-175.6	-75.6	-166.2	170.7	-164.6	0	114.5	L1049 K1052 S1058 L1059 T1060	L1049-K1056 PolarHBondContact O-NZ 3.43Å; K1052-K1056 VanDerWaalsContact O-CD 3.31Å; K1052-K1056 WeakPolarHBondContact O-CD 3.4Å; K1052-K1056 VanDerWaalsContact O-CE 3.29Å; K1052-K1056 WeakPolarHBondContact O-CE 3.3Å; K1052-K1056 WeakPolarHBondContact O-CG 3.46Å; K1056-S1058 PolarHBondContact O-N 3.06Å; K1056-L1059 PolarHBondContact O-N 2.89Å; K1056-T1060 PolarHBondContact O-N 3.02Å; K1056-T1060 PolarHBondContact O-OG1 3.05Å; K1056-T1060 VanDerWaalsContact O-OG1 3.11Å
1057	S	55.6	Low	52.4	Low	83 Å²	83	116.3 Å²	116.3	58%	0.58	58%	0.578	S	S	*	*	H	α-helix	trans	-55.3	-46	-173.6	49.5	0	0	0	0	113.4	T1060 A1061	S1057-T1060 PolarHBondContact O-OG1 3.09Å; S1057-T1060 VanDerWaalsContact O-OG1 3.06Å; S1057-A1061 VanDerWaalsContact O-CB 3.24Å; S1057-A1061 WeakPolarHBondContact O-CB 3.45Å; S1057-A1061 PolarHBondContact O-N 2.92Å
1058	S	57.8	Low	53.7	Low	68 Å²	68	116.3 Å²	116.3	48%	0.476	57%	0.574	S	S	.	*	H	α-helix	trans	-71.8	-32.8	-179.8	68.8	0	0	0	0	113	K1056 K1062	K1056-S1058 PolarHBondContact O-N 3.06Å; S1058-K1062 WeakPolarHBondContact O-CB 3.35Å; S1058-K1062 VanDerWaalsContact O-CG 3.28Å; S1058-K1062 WeakPolarHBondContact O-CG 3.3Å; S1058-K1062 PolarHBondContact O-N 2.83Å
1059	L	52.8	Low	55.2	Low	107 Å²	107	113.5 Å²	113.5	56%	0.56	56%	0.562	S	S	*	*	H	α-helix	trans	-72.3	-41.9	174.8	-71.4	176.1	0	0	0	111.8	K1056 K1062 L1063	K1056-L1059 PolarHBondContact O-N 2.89Å; L1059-K1062 PolarHBondContact O-N 3.17Å; L1059-L1063 WeakPolarHBondContact O-CB 3.33Å; L1059-L1063 VanDerWaalsContact O-CG 3.26Å; L1059-L1063 WeakPolarHBondContact O-CG 3.48Å; L1059-L1063 PolarHBondContact O-N 2.77Å
1060	T	56.8	Low	56.6	Low	73 Å²	73	108.7 Å²	108.7	45%	0.448	54%	0.537	S	S	.	.	H	α-helix	trans	-66	-38.9	174	52.6	0	0	0	0	111.4	K1056 S1057 L1063 N1064	K1056-T1060 PolarHBondContact O-N 3.02Å; K1056-T1060 PolarHBondContact O-OG1 3.05Å; K1056-T1060 VanDerWaalsContact O-OG1 3.11Å; S1057-T1060 PolarHBondContact O-OG1 3.09Å; S1057-T1060 VanDerWaalsContact O-OG1 3.06Å; T1060-L1063 PolarHBondContact O-N 3.31Å; T1060-N1064 WeakPolarHBondContact O-CB 3.17Å; T1060-N1064 PolarHBondContact O-N 3.12Å; T1060-N1064 PolarHBondContact O-OD1 2.91Å
1061	A	64.9	Low	57.9	Low	55 Å²	55	100.6 Å²	100.6	46%	0.455	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-47	173.2	0	0	0	0	0	112.5	S1057 L1063 N1064 K1065	S1057-A1061 VanDerWaalsContact O-CB 3.24Å; S1057-A1061 WeakPolarHBondContact O-CB 3.45Å; S1057-A1061 PolarHBondContact O-N 2.92Å; A1061-L1063 PolarHBondContact O-N 3.26Å; A1061-N1064 PolarHBondContact O-N 3.36Å; A1061-K1065 PolarHBondContact O-N 3.44Å
1062	K	63.5	Low	59.6	Low	144 Å²	144	92.9 Å²	92.9	63%	0.626	48%	0.484	S	S	*	.	H	α-helix	trans	-61.5	-41.1	175.8	-75.9	179.1	179.5	-171.1	0	112.1	S1058 L1059 K1065 L1066	S1058-K1062 WeakPolarHBondContact O-CB 3.35Å; S1058-K1062 VanDerWaalsContact O-CG 3.28Å; S1058-K1062 WeakPolarHBondContact O-CG 3.3Å; S1058-K1062 PolarHBondContact O-N 2.83Å; L1059-K1062 PolarHBondContact O-N 3.17Å; K1062-K1065 PolarHBondContact O-N 3.13Å; K1062-L1066 PolarHBondContact O-N 2.96Å
1063	L	57.7	Low	61.5	Low	93 Å²	93	86.1 Å²	86.1	49%	0.487	46%	0.456	S	S	.	.	H	α-helix	trans	-67.9	-33.9	175	-72	168.7	0	0	0	113	L1059 T1060 A1061 R1067	L1059-L1063 WeakPolarHBondContact O-CB 3.33Å; L1059-L1063 VanDerWaalsContact O-CG 3.26Å; L1059-L1063 WeakPolarHBondContact O-CG 3.48Å; L1059-L1063 PolarHBondContact O-N 2.77Å; T1060-L1063 PolarHBondContact O-N 3.31Å; A1061-L1063 PolarHBondContact O-N 3.26Å; L1063-R1067 PolarHBondContact O-N 3.29Å
1064	N	64.6	Low	63.4	Low	85 Å²	85	78.6 Å²	78.6	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-66.7	-44.4	173.3	-69.8	-3.2	0	0	0	110.9	T1060 A1061 L1066 R1067 S1068	T1060-N1064 WeakPolarHBondContact O-CB 3.17Å; T1060-N1064 PolarHBondContact O-N 3.12Å; T1060-N1064 PolarHBondContact O-OD1 2.91Å; A1061-N1064 PolarHBondContact O-N 3.36Å; N1064-L1066 PolarHBondContact O-N 2.9Å; N1064-R1067 PolarHBondContact O-N 3.45Å; N1064-R1067 VanDerWaalsContact OD1-CZ 3.3Å; N1064-R1067 PolarHBondContact OD1-NH1 3.15Å; N1064-R1067 PolarHBondContact OD1-NH2 3.34Å; N1064-S1068 PolarHBondContact O-N 2.88Å
1065	K	69.2	Low	65	Low	135 Å²	135	76.9 Å²	76.9	59%	0.587	41%	0.414	S	S	*	.	H	α-helix	trans	-63.6	-38.1	176.1	-166.5	173.6	-176.6	177.7	0	112.3	A1061 K1062 S1068 V1069	A1061-K1065 PolarHBondContact O-N 3.44Å; K1062-K1065 PolarHBondContact O-N 3.13Å; K1065-S1068 PolarHBondContact O-N 2.87Å; K1065-S1068 PolarHBondContact O-OG 2.84Å; K1065-V1069 WeakPolarHBondContact O-CG2 3.44Å; K1065-V1069 PolarHBondContact O-N 2.76Å; K1065-V1069 VanDerWaalsContact O-N 3.07Å
1066	L	65.9	Low	66.6	Low	82 Å²	82	73.1 Å²	73.1	43%	0.429	40%	0.402	S	S	.	.	H	α-helix	trans	-64	-40.7	171.9	-86.2	166.4	0	0	0	112.5	K1062 N1064 V1069 L1070	K1062-L1066 PolarHBondContact O-N 2.96Å; N1064-L1066 PolarHBondContact O-N 2.9Å; L1066-V1069 PolarHBondContact O-N 3.37Å; L1066-L1070 WeakPolarHBondContact O-CB 3.43Å; L1066-L1070 PolarHBondContact O-N 2.82Å
1067	R	63.7	Low	68.2	Low	53 Å²	53	70 Å²	70	20%	0.2	39%	0.389	C	S	.	.	H	α-helix	trans	-65.1	-40	176.1	-83.3	-176.7	-101.7	98.4	8.7	112.8	F917 L1063 N1064 G1071	F917-R1067 HydrophobicContact CD1-CG 3.82Å; F917-R1067 HydrophobicContact CE1-CB 4.04Å; F917-R1067 HydrophobicContact CE1-CG 3.76Å; L1063-R1067 PolarHBondContact O-N 3.29Å; N1064-R1067 PolarHBondContact O-N 3.45Å; N1064-R1067 VanDerWaalsContact OD1-CZ 3.3Å; N1064-R1067 PolarHBondContact OD1-NH1 3.15Å; N1064-R1067 PolarHBondContact OD1-NH2 3.34Å; R1067-G1071 PolarHBondContact O-N 3.17Å
1068	S	70.2	Confident	69.6	Low	71 Å²	71	68.2 Å²	68.2	50%	0.497	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-43.1	174.7	56.8	0	0	0	0	112.1	N1064 K1065 G1071 T1072	N1064-S1068 PolarHBondContact O-N 2.88Å; K1065-S1068 PolarHBondContact O-N 2.87Å; K1065-S1068 PolarHBondContact O-OG 2.84Å; S1068-G1071 PolarHBondContact O-N 3.34Å; S1068-T1072 WeakPolarHBondContact O-CG2 3.33Å; S1068-T1072 PolarHBondContact O-N 3.08Å; S1068-T1072 PolarHBondContact O-OG1 3.33Å
1069	V	74.7	Confident	70.9	Confident	58 Å²	58	68.7 Å²	68.7	35%	0.352	38%	0.375	S	S	.	.	H	α-helix	trans	-62.7	-48.9	177.1	171.2	0	0	0	0	111.2	F51 K1065 L1066 G1071 T1072 L1073	F51-V1069 HydrophobicContact CZ-CG1 4.37Å; K1065-V1069 WeakPolarHBondContact O-CG2 3.44Å; K1065-V1069 PolarHBondContact O-N 2.76Å; K1065-V1069 VanDerWaalsContact O-N 3.07Å; L1066-V1069 PolarHBondContact O-N 3.37Å; V1069-G1071 VanDerWaalsContact C-N 3.32Å; V1069-G1071 PolarHBondContact O-N 2.95Å; V1069-T1072 WeakPolarHBondContact CA-OG1 3.22Å; V1069-T1072 PolarHBondContact O-N 2.95Å; V1069-T1072 PolarHBondContact O-OG1 3.11Å; V1069-L1073 HydrophobicContact CG1-CD1 3.82Å; V1069-L1073 HydrophobicContact CG1-CG 4.34Å; V1069-L1073 WeakPolarHBondContact O-CB 3.19Å; V1069-L1073 WeakPolarHBondContact O-CG 3.31Å; V1069-L1073 PolarHBondContact O-N 3.32Å
1070	L	70.8	Confident	72.4	Confident	12 Å²	12	67.5 Å²	67.5	6%	0.063	37%	0.369	C	S	.	.	H	α-helix	trans	-62.5	-38.4	-179.4	-170.1	68.2	0	0	0	112.4	F51 L925 L1066 Q1074	F51-L1070 HydrophobicContact CE2-CD1 4.41Å; L925-L1070 HydrophobicContact CD2-CD1 3.65Å; L1066-L1070 WeakPolarHBondContact O-CB 3.43Å; L1066-L1070 PolarHBondContact O-N 2.82Å; L1070-Q1074 PolarHBondContact O-N 3.01Å; L1070-Q1074 VanDerWaalsContact O-N 3.11Å
1071	G	71.9	Confident	73.8	Confident	10 Å²	10	64 Å²	64	10%	0.103	35%	0.348	C	S	.	.	H	α-helix	trans	-59.1	-55.9	171.1	0	0	0	0	0	111.7	R1067 S1068 V1069 L1073 Q1074 D1075	R1067-G1071 PolarHBondContact O-N 3.17Å; S1068-G1071 PolarHBondContact O-N 3.34Å; V1069-G1071 VanDerWaalsContact C-N 3.32Å; V1069-G1071 PolarHBondContact O-N 2.95Å; G1071-L1073 VanDerWaalsContact C-N 3.26Å; G1071-L1073 PolarHBondContact O-N 3.44Å; G1071-Q1074 WeakPolarHBondContact O-CB 3.17Å; G1071-Q1074 PolarHBondContact O-N 3.37Å; G1071-D1075 VanDerWaalsContact O-CG 3.29Å; G1071-D1075 PolarHBondContact O-N 2.96Å
1072	T	76.6	Confident	74.9	Confident	74 Å²	74	62.1 Å²	62.1	45%	0.454	33%	0.331	S	S	.	.	H	α-helix	trans	-59.9	-33.9	-179.9	53.8	0	0	0	0	113.6	S1068 V1069 D1075 I1076	S1068-T1072 WeakPolarHBondContact O-CG2 3.33Å; S1068-T1072 PolarHBondContact O-N 3.08Å; S1068-T1072 PolarHBondContact O-OG1 3.33Å; V1069-T1072 WeakPolarHBondContact CA-OG1 3.22Å; V1069-T1072 PolarHBondContact O-N 2.95Å; V1069-T1072 PolarHBondContact O-OG1 3.11Å; T1072-D1075 PolarHBondContact O-N 2.67Å; T1072-I1076 WeakPolarHBondContact O-CB 3.32Å; T1072-I1076 WeakPolarHBondContact O-CD1 3.26Å; T1072-I1076 WeakPolarHBondContact O-CG1 3.4Å; T1072-I1076 PolarHBondContact O-N 2.71Å
1073	L	78.2	Confident	76.1	Confident	34 Å²	34	58.3 Å²	58.3	18%	0.178	31%	0.314	C	S	.	.	H	α-helix	trans	-67.2	-39.6	174.8	-76.2	171.8	0	0	0	112.1	F51 M54 V1069 G1071 A1077	F51-L1073 HydrophobicContact CE1-CD1 4.11Å; F51-L1073 HydrophobicContact CZ-CD1 3.98Å; M54-L1073 HydrophobicContact CE-CB 4.03Å; M54-L1073 HydrophobicContact CE-CD2 3.99Å; M54-L1073 HydrophobicContact CE-CG 4.5Å; M54-L1073 HydrophobicContact SD-CB 4.22Å; M54-L1073 HydrophobicContact SD-CD1 4.22Å; M54-L1073 HydrophobicContact SD-CD2 4.31Å; M54-L1073 HydrophobicContact SD-CG 4.49Å; V1069-L1073 HydrophobicContact CG1-CD1 3.82Å; V1069-L1073 HydrophobicContact CG1-CG 4.34Å; V1069-L1073 WeakPolarHBondContact O-CB 3.19Å; V1069-L1073 WeakPolarHBondContact O-CG 3.31Å; V1069-L1073 PolarHBondContact O-N 3.32Å; G1071-L1073 VanDerWaalsContact C-N 3.26Å; G1071-L1073 PolarHBondContact O-N 3.44Å; L1073-A1077 VanDerWaalsContact O-CB 3.29Å; L1073-A1077 WeakPolarHBondContact O-CB 3.33Å; L1073-A1077 PolarHBondContact O-N 3.27Å
1074	Q	78.5	Confident	77.5	Confident	22 Å²	22	56.3 Å²	56.3	10%	0.103	30%	0.304	C	S	.	.	H	α-helix	trans	-66.4	-42.9	173.5	-175.7	-170.9	-27.3	0	0	111.9	H921 L925 L1070 G1071 A1077 E1078	H921-Q1074 PolarHBondContact ND1-OE1 3.4Å; H921-Q1074 PolarHBondContact O-OE1 3.4Å; L925-Q1074 HydrophobicContact CD1-CB 4.27Å; L1070-Q1074 PolarHBondContact O-N 3.01Å; L1070-Q1074 VanDerWaalsContact O-N 3.11Å; G1071-Q1074 WeakPolarHBondContact O-CB 3.17Å; G1071-Q1074 PolarHBondContact O-N 3.37Å; Q1074-A1077 PolarHBondContact O-N 3.49Å; Q1074-E1078 PolarHBondContact O-N 2.99Å
1075	D	77.9	Confident	78.6	Confident	104 Å²	104	52.6 Å²	52.6	56%	0.556	28%	0.284	S	S	*	.	H	α-helix	trans	-64.7	-40.9	179.9	-61.8	-31.1	0	0	0	111.4	G1071 T1072 S1079	G1071-D1075 VanDerWaalsContact O-CG 3.29Å; G1071-D1075 PolarHBondContact O-N 2.96Å; T1072-D1075 PolarHBondContact O-N 2.67Å; D1075-S1079 VanDerWaalsContact O-CB 3.23Å; D1075-S1079 WeakPolarHBondContact O-CB 3.44Å; D1075-S1079 PolarHBondContact O-N 3.45Å
1076	I	81.1	Confident	79.7	Confident	98 Å²	98	47.4 Å²	47.4	50%	0.503	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-44.7	173.5	-69.8	165.1	0	0	0	110.7	T1072 S1079 I1080	T1072-I1076 WeakPolarHBondContact O-CB 3.32Å; T1072-I1076 WeakPolarHBondContact O-CD1 3.26Å; T1072-I1076 WeakPolarHBondContact O-CG1 3.4Å; T1072-I1076 PolarHBondContact O-N 2.71Å; I1076-S1079 PolarHBondContact O-N 3.33Å; I1076-I1080 HydrophobicContact CG2-CD1 3.77Å; I1076-I1080 HydrophobicContact CG2-CG1 4.5Å; I1076-I1080 WeakPolarHBondContact O-CG1 3.45Å; I1076-I1080 PolarHBondContact O-N 2.97Å
1077	A	80.8	Confident	80.8	Confident	8 Å²	8	45.4 Å²	45.4	7%	0.066	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-46.1	178.6	0	0	0	0	0	112.2	L925 N928 L1073 Q1074 S1079 I1080 T1081	L925-A1077 HydrophobicContact CD1-CB 4.2Å; N928-A1077 HydrophobicContact CB-CB 4.35Å; L1073-A1077 VanDerWaalsContact O-CB 3.29Å; L1073-A1077 WeakPolarHBondContact O-CB 3.33Å; L1073-A1077 PolarHBondContact O-N 3.27Å; Q1074-A1077 PolarHBondContact O-N 3.49Å; A1077-S1079 VanDerWaalsContact C-N 3.33Å; A1077-S1079 PolarHBondContact O-N 3.45Å; A1077-I1080 PolarHBondContact O-N 3.47Å; A1077-T1081 VanDerWaalsContact O-CB 3.26Å; A1077-T1081 WeakPolarHBondContact O-CB 3.37Å; A1077-T1081 PolarHBondContact O-N 3.41Å; A1077-T1081 PolarHBondContact O-OG1 3.37Å
1078	E	84	Confident	82	Confident	47 Å²	47	44.5 Å²	44.5	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-61.8	-40.8	174.4	-172.6	65.2	-108.2	0	0	111.4	N928 R931 Q1074 S1082	N928-E1078 PolarHBondContact ND2-OE2 2.95Å; N928-E1078 PolarHBondContact OD1-OE2 3.01Å; R931-E1078 IonicContact CZ-OE1 2.83Å; R931-E1078 VanDerWaalsContact CZ-OE1 3.27Å; R931-E1078 IonicContact NH1-OE1 2.87Å; R931-E1078 PolarHBondContact NH1-OE1 2.94Å; R931-E1078 IonicContact NH1-OE2 3.27Å; R931-E1078 PolarHBondContact NH1-OE2 2.88Å; R931-E1078 IonicContact NH2-OE1 2.76Å; R931-E1078 PolarHBondContact NH2-OE1 3.44Å; Q1074-E1078 PolarHBondContact O-N 2.99Å; E1078-S1082 WeakPolarHBondContact O-CB 3.16Å; E1078-S1082 PolarHBondContact O-N 3Å; E1078-S1082 PolarHBondContact O-OG 2.86Å
1079	S	85.3	Confident	82.9	Confident	78 Å²	78	43.2 Å²	43.2	55%	0.545	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-45.7	177.8	-172.9	0	0	0	0	112.4	D1075 I1076 A1077 S1082 F1083	D1075-S1079 VanDerWaalsContact O-CB 3.23Å; D1075-S1079 WeakPolarHBondContact O-CB 3.44Å; D1075-S1079 PolarHBondContact O-N 3.45Å; I1076-S1079 PolarHBondContact O-N 3.33Å; A1077-S1079 VanDerWaalsContact C-N 3.33Å; A1077-S1079 PolarHBondContact O-N 3.45Å; S1079-S1082 PolarHBondContact O-OG 3.14Å; S1079-F1083 WeakPolarHBondContact O-CB 3.41Å; S1079-F1083 PolarHBondContact O-N 3.17Å
1080	I	84.9	Confident	83.6	Confident	82 Å²	82	40.5 Å²	40.5	42%	0.421	22%	0.217	S	C	.	.	H	α-helix	trans	-69	-48.4	178.1	-66.7	169.1	0	0	0	111	L932 I1076 A1077 F1083 L1084	L932-I1080 HydrophobicContact CD1-CG2 4.16Å; I1076-I1080 HydrophobicContact CG2-CD1 3.77Å; I1076-I1080 HydrophobicContact CG2-CG1 4.5Å; I1076-I1080 WeakPolarHBondContact O-CG1 3.45Å; I1076-I1080 PolarHBondContact O-N 2.97Å; A1077-I1080 PolarHBondContact O-N 3.47Å; I1080-F1083 WeakPolarHBondContact O-CB 3.24Å; I1080-F1083 PolarHBondContact O-N 3.3Å; I1080-L1084 HydrophobicContact CG2-CD1 4.07Å; I1080-L1084 WeakPolarHBondContact O-CG 3.42Å; I1080-L1084 PolarHBondContact O-N 3.25Å
1081	T	86.4	Confident	84.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.6	-46.2	-178.7	-63.6	0	0	0	0	111.4	N928 R931 A1077 F1083 L1084 E1085	N928-T1081 PolarHBondContact O-OG1 3.03Å; N928-T1081 VanDerWaalsContact O-OG1 3.13Å; R931-T1081 HydrophobicContact CB-CG2 3.46Å; R931-T1081 VanDerWaalsContact CB-CG2 3.46Å; R931-T1081 HydrophobicContact CG-CG2 4.46Å; A1077-T1081 VanDerWaalsContact O-CB 3.26Å; A1077-T1081 WeakPolarHBondContact O-CB 3.37Å; A1077-T1081 PolarHBondContact O-N 3.41Å; A1077-T1081 PolarHBondContact O-OG1 3.37Å; T1081-F1083 PolarHBondContact O-N 3.05Å; T1081-L1084 PolarHBondContact O-N 3.28Å; T1081-E1085 WeakPolarHBondContact O-CB 3.36Å; T1081-E1085 VanDerWaalsContact O-CG 3.31Å; T1081-E1085 WeakPolarHBondContact O-CG 3.23Å; T1081-E1085 PolarHBondContact O-N 3.34Å
1082	S	87.4	Confident	85	Confident	14 Å²	14	47.2 Å²	47.2	10%	0.098	24%	0.24	C	C	.	.	H	α-helix	trans	-66.8	-34.4	176.6	64.7	0	0	0	0	112.8	E1078 S1079 R1086	E1078-S1082 WeakPolarHBondContact O-CB 3.16Å; E1078-S1082 PolarHBondContact O-N 3Å; E1078-S1082 PolarHBondContact O-OG 2.86Å; S1079-S1082 PolarHBondContact O-OG 3.14Å; S1082-R1086 VanDerWaalsContact O-CB 3.23Å; S1082-R1086 WeakPolarHBondContact O-CB 3.35Å; S1082-R1086 VanDerWaalsContact O-CD 3.32Å; S1082-R1086 WeakPolarHBondContact O-CD 3.4Å; S1082-R1086 WeakPolarHBondContact O-CG 3.46Å; S1082-R1086 PolarHBondContact O-N 3.4Å
1083	F	89.4	Confident	85.5	Confident	65 Å²	65	45.4 Å²	45.4	29%	0.285	23%	0.225	S	C	.	.	H	α-helix	trans	-60.1	-49.1	172.1	175.8	-84.6	0	0	0	111.6	S1079 I1080 T1081 R1086 L1087 F1145 F1146 L1149	S1079-F1083 WeakPolarHBondContact O-CB 3.41Å; S1079-F1083 PolarHBondContact O-N 3.17Å; I1080-F1083 WeakPolarHBondContact O-CB 3.24Å; I1080-F1083 PolarHBondContact O-N 3.3Å; T1081-F1083 PolarHBondContact O-N 3.05Å; F1083-R1086 PolarHBondContact O-N 3.43Å; F1083-L1087 HydrophobicContact CE1-CD2 4.19Å; F1083-L1087 WeakPolarHBondContact O-CB 3.4Å; F1083-L1087 PolarHBondContact O-N 3Å; F1083-F1145 HydrophobicContact CE2-CE1 4.04Å; F1083-F1145 HydrophobicContact CZ-CE1 4.19Å; F1083-F1146 AromaticContact CD2-CE1 3.88Å; F1083-F1146 HydrophobicContact CD2-CE1 3.88Å; F1083-F1146 HydrophobicContact CD2-CZ 4.31Å; F1083-F1146 AromaticContact CE2-CE1 3.82Å; F1083-F1146 HydrophobicContact CE2-CE1 3.82Å; F1083-F1146 AromaticContact CE2-CZ 3.86Å; F1083-F1146 HydrophobicContact CE2-CZ 3.86Å; F1083-L1149 HydrophobicContact CD2-CD2 3.32Å; F1083-L1149 HydrophobicContact CE2-CD2 3.42Å; F1083-L1149 VanDerWaalsContact CE2-CD2 3.42Å; F1083-L1149 HydrophobicContact CG-CD2 4.12Å; F1083-L1149 HydrophobicContact CZ-CD2 4.28Å
1084	L	86.6	Confident	85.9	Confident	51 Å²	51	52.1 Å²	52.1	27%	0.267	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-42.9	-179.6	-69.1	172.1	0	0	0	112.1	L932 Y935 I1080 T1081 L1087 N1088	L932-L1084 HydrophobicContact CD1-CD1 3.61Å; Y935-L1084 HydrophobicContact CD1-CB 4.35Å; Y935-L1084 HydrophobicContact CD1-CD1 4.38Å; Y935-L1084 HydrophobicContact CD2-CD1 4.38Å; Y935-L1084 HydrophobicContact CE1-CB 4.1Å; Y935-L1084 HydrophobicContact CE2-CB 4.29Å; Y935-L1084 HydrophobicContact CG-CD1 4.09Å; I1080-L1084 HydrophobicContact CG2-CD1 4.07Å; I1080-L1084 WeakPolarHBondContact O-CG 3.42Å; I1080-L1084 PolarHBondContact O-N 3.25Å; T1081-L1084 PolarHBondContact O-N 3.28Å; L1084-L1087 PolarHBondContact O-N 3.28Å; L1084-N1088 VanDerWaalsContact O-CB 3.23Å; L1084-N1088 WeakPolarHBondContact O-CB 3.38Å; L1084-N1088 PolarHBondContact O-N 3.33Å
1085	E	87.8	Confident	86.2	Confident	7 Å²	7	53.2 Å²	53.2	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-49.6	173	-74.8	172.2	174.3	0	0	112	R931 T1081 L1087 N1088 Y1089 S1154 R1155	R931-E1085 IonicContact CZ-OE1 3.12Å; R931-E1085 IonicContact CZ-OE2 2.82Å; R931-E1085 IonicContact NE-OE1 3.34Å; R931-E1085 PolarHBondContact NE-OE1 3.41Å; R931-E1085 IonicContact NE-OE2 3.77Å; R931-E1085 VanDerWaalsContact NH2-CD 3.29Å; R931-E1085 IonicContact NH2-OE1 3.63Å; R931-E1085 PolarHBondContact NH2-OE1 3.49Å; R931-E1085 VanDerWaalsContact NH2-OE1 3.12Å; R931-E1085 IonicContact NH2-OE2 2.99Å; R931-E1085 PolarHBondContact NH2-OE2 2.91Å; T1081-E1085 WeakPolarHBondContact O-CB 3.36Å; T1081-E1085 VanDerWaalsContact O-CG 3.31Å; T1081-E1085 WeakPolarHBondContact O-CG 3.23Å; T1081-E1085 PolarHBondContact O-N 3.34Å; E1085-L1087 VanDerWaalsContact C-N 3.34Å; E1085-L1087 PolarHBondContact O-N 3.28Å; E1085-N1088 PolarHBondContact O-N 3.13Å; E1085-Y1089 HydrophobicContact CB-CE2 4.08Å; E1085-Y1089 WeakPolarHBondContact O-CD2 3.5Å; E1085-Y1089 PolarHBondContact O-N 2.95Å; E1085-S1154 WeakPolarHBondContact OE2-CB 3.36Å; E1085-R1155 VanDerWaalsContact OE1-CB 3.3Å; E1085-R1155 WeakPolarHBondContact OE1-CB 3.43Å; E1085-R1155 WeakPolarHBondContact OE2-CB 3.03Å; E1085-R1155 PolarHBondContact OE2-N 3.43Å
1086	R	92	Very high	86.5	Confident	25 Å²	25	50.7 Å²	50.7	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-62.8	-40.1	-179.8	-73.3	167.8	166.4	169.1	-0.4	112	S1082 F1083 Y1089 L1090 L1149 N1150 V1152 E1157	S1082-R1086 VanDerWaalsContact O-CB 3.23Å; S1082-R1086 WeakPolarHBondContact O-CB 3.35Å; S1082-R1086 VanDerWaalsContact O-CD 3.32Å; S1082-R1086 WeakPolarHBondContact O-CD 3.4Å; S1082-R1086 WeakPolarHBondContact O-CG 3.46Å; S1082-R1086 PolarHBondContact O-N 3.4Å; F1083-R1086 PolarHBondContact O-N 3.43Å; R1086-Y1089 PolarHBondContact O-N 3.41Å; R1086-L1090 PolarHBondContact O-N 3.26Å; R1086-L1149 HydrophobicContact CB-CD1 3.67Å; R1086-L1149 HydrophobicContact CB-CG 3.93Å; R1086-L1149 WeakPolarHBondContact CD-O 3.49Å; R1086-N1150 PolarHBondContact NH1-OD1 2.83Å; R1086-V1152 HydrophobicContact CB-CB 4.15Å; R1086-V1152 HydrophobicContact CB-CG1 4.16Å; R1086-V1152 WeakPolarHBondContact CD-O 3.47Å; R1086-V1152 HydrophobicContact CG-CB 4.07Å; R1086-V1152 HydrophobicContact CG-CG1 4.1Å; R1086-V1152 WeakPolarHBondContact CG-O 3.32Å; R1086-V1152 PolarHBondContact NE-O 3.26Å; R1086-E1157 IonicContact CZ-OE2 3.56Å; R1086-E1157 IonicContact NE-OE2 3.66Å; R1086-E1157 IonicContact NH2-OE1 2.78Å; R1086-E1157 PolarHBondContact NH2-OE1 2.94Å; R1086-E1157 IonicContact NH2-OE2 3.52Å; R1086-E1157 PolarHBondContact NH2-OE2 2.81Å
1087	L	89.4	Confident	86.7	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.209	23%	0.23	C	C	.	.	H	α-helix	trans	-66.7	-44.5	176.4	-176.8	61.7	0	0	0	111	F1083 L1084 E1085 Y1089 L1090 C1091 F1102 L1149	F1083-L1087 HydrophobicContact CE1-CD2 4.19Å; F1083-L1087 WeakPolarHBondContact O-CB 3.4Å; F1083-L1087 PolarHBondContact O-N 3Å; L1084-L1087 PolarHBondContact O-N 3.28Å; E1085-L1087 VanDerWaalsContact C-N 3.34Å; E1085-L1087 PolarHBondContact O-N 3.28Å; L1087-Y1089 VanDerWaalsContact C-N 3.32Å; L1087-Y1089 PolarHBondContact O-N 3.23Å; L1087-L1090 WeakPolarHBondContact O-CB 3.42Å; L1087-L1090 PolarHBondContact O-N 3.01Å; L1087-L1090 VanDerWaalsContact O-N 3.15Å; L1087-C1091 PolarHBondContact O-N 3.04Å; L1087-C1091 PolarHBondContact O-SG 3.29Å; L1087-F1102 HydrophobicContact CD1-CE1 3.92Å; L1087-F1102 HydrophobicContact CD1-CZ 3.6Å; L1087-L1149 HydrophobicContact CB-CD1 4.24Å
1088	N	87.6	Confident	87	Confident	35 Å²	35	47.5 Å²	47.5	19%	0.187	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-41	175.7	-168.8	-2.7	0	0	0	111.7	Y935 L1084 E1085 L1090 C1091 R1092	Y935-N1088 PolarHBondContact OH-ND2 3.49Å; Y935-N1088 VanDerWaalsContact OH-ND2 3.09Å; L1084-N1088 VanDerWaalsContact O-CB 3.23Å; L1084-N1088 WeakPolarHBondContact O-CB 3.38Å; L1084-N1088 PolarHBondContact O-N 3.33Å; E1085-N1088 PolarHBondContact O-N 3.13Å; N1088-L1090 VanDerWaalsContact C-N 3.35Å; N1088-L1090 PolarHBondContact O-N 3.49Å; N1088-C1091 PolarHBondContact O-N 3.21Å; N1088-R1092 WeakPolarHBondContact O-CB 3.47Å; N1088-R1092 PolarHBondContact O-N 3.01Å; N1088-R1092 WeakPolarHBondContact OD1-CD 3.38Å
1089	Y	89.5	Confident	87.3	Confident	44 Å²	44	45.3 Å²	45.3	17%	0.173	22%	0.216	C	C	.	.	H	α-helix	trans	-68.1	-26.9	175.8	-61.4	-32.2	0	0	0	114.3	E1085 R1086 L1087 R1094 V1152 P1153 K1158	E1085-Y1089 HydrophobicContact CB-CE2 4.08Å; E1085-Y1089 WeakPolarHBondContact O-CD2 3.5Å; E1085-Y1089 PolarHBondContact O-N 2.95Å; R1086-Y1089 PolarHBondContact O-N 3.41Å; L1087-Y1089 VanDerWaalsContact C-N 3.32Å; L1087-Y1089 PolarHBondContact O-N 3.23Å; Y1089-R1094 PolarHBondContact O-N 3.23Å; Y1089-V1152 HydrophobicContact CD2-CG1 4.03Å; Y1089-V1152 HydrophobicContact CG-CG1 4.48Å; Y1089-P1153 WeakPolarHBondContact CD2-O 3.48Å; Y1089-P1153 WeakPolarHBondContact CE2-O 3.49Å; Y1089-K1158 VanDerWaalsContact CD2-NZ 3.31Å; Y1089-K1158 VanDerWaalsContact CE1-NZ 3.31Å; Y1089-K1158 HydrophobicContact CE2-CD 4.1Å
1090	L	89.7	Confident	87.5	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-73	-48.8	168.6	-69.3	168.2	0	0	0	110.8	M985 R1086 L1087 N1088 R1092 W1093 L1098 S1099 F1102 L1149 V1152	M985-L1090 WeakPolarHBondContact CE-O 3.5Å; R1086-L1090 PolarHBondContact O-N 3.26Å; L1087-L1090 WeakPolarHBondContact O-CB 3.42Å; L1087-L1090 PolarHBondContact O-N 3.01Å; L1087-L1090 VanDerWaalsContact O-N 3.15Å; N1088-L1090 VanDerWaalsContact C-N 3.35Å; N1088-L1090 PolarHBondContact O-N 3.49Å; L1090-R1092 VanDerWaalsContact C-N 3.31Å; L1090-R1092 PolarHBondContact O-N 3.22Å; L1090-W1093 WeakPolarHBondContact O-CA 3.44Å; L1090-W1093 PolarHBondContact O-N 2.95Å; L1090-L1098 HydrophobicContact CD2-CB 3.88Å; L1090-S1099 PolarHBondContact O-OG 2.98Å; L1090-F1102 HydrophobicContact CB-CD1 4.15Å; L1090-F1102 HydrophobicContact CB-CE1 4.32Å; L1090-F1102 HydrophobicContact CD1-CB 4.44Å; L1090-F1102 HydrophobicContact CD1-CD1 3.96Å; L1090-F1102 HydrophobicContact CD1-CD2 3.86Å; L1090-F1102 HydrophobicContact CD1-CE1 4.03Å; L1090-F1102 HydrophobicContact CD1-CE2 3.92Å; L1090-F1102 HydrophobicContact CD1-CG 3.87Å; L1090-F1102 HydrophobicContact CD1-CZ 4.01Å; L1090-F1102 HydrophobicContact CD2-CB 4.4Å; L1090-L1149 HydrophobicContact CD1-CD1 3.61Å; L1090-V1152 HydrophobicContact CD1-CG2 4.33Å; L1090-V1152 HydrophobicContact CD2-CG2 3.7Å; L1090-V1152 HydrophobicContact CG-CG2 3.9Å
1091	C	87.4	Confident	87.7	Confident	12 Å²	12	41.6 Å²	41.6	8%	0.081	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-37.4	179.9	-66	0	0	0	0	113.2	F984 M985 M988 L1087 N1088 W1093	F984-C1091 HydrophobicContact CE1-CB 3.98Å; M985-C1091 VanDerWaalsContact SD-CA 3.58Å; M985-C1091 HydrophobicContact SD-CB 4.25Å; M988-C1091 WeakPolarHBondContact CB-O 2.98Å; L1087-C1091 PolarHBondContact O-N 3.04Å; L1087-C1091 PolarHBondContact O-SG 3.29Å; N1088-C1091 PolarHBondContact O-N 3.21Å; C1091-W1093 PolarHBondContact O-N 2.86Å
1092	R	85.5	Confident	88	Confident	152 Å²	152	41.6 Å²	41.6	57%	0.574	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.2	13.5	174.8	-64.1	-179.9	69	172.3	-2.3	113.3	N1088 L1090 R1094	N1088-R1092 WeakPolarHBondContact O-CB 3.47Å; N1088-R1092 PolarHBondContact O-N 3.01Å; N1088-R1092 WeakPolarHBondContact OD1-CD 3.38Å; L1090-R1092 VanDerWaalsContact C-N 3.31Å; L1090-R1092 PolarHBondContact O-N 3.22Å; R1092-R1094 PolarHBondContact O-N 3.36Å
1093	W	87.2	Confident	88.2	Confident	36 Å²	36	42 Å²	42	14%	0.136	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	34.6	177.6	-68.4	77.7	0	0	0	114.9	M985 L989 L1090 C1091 Y1095 P1096 C1100 L1103	M985-W1093 HydrophobicContact CE-CZ2 4.18Å; M985-W1093 PolarHBondContact O-NE1 2.96Å; L989-W1093 HydrophobicContact CB-CD2 4.3Å; L989-W1093 HydrophobicContact CB-CG 4.4Å; L989-W1093 HydrophobicContact CB-CZ2 4.29Å; L989-W1093 HydrophobicContact CD1-CB 4.35Å; L989-W1093 HydrophobicContact CD1-CD2 3.73Å; L989-W1093 HydrophobicContact CD1-CE3 3.93Å; L989-W1093 HydrophobicContact CD1-CG 3.89Å; L989-W1093 HydrophobicContact CD2-CD2 4.38Å; L989-W1093 HydrophobicContact CD2-CE3 4.4Å; L989-W1093 HydrophobicContact CD2-CH2 3.96Å; L989-W1093 HydrophobicContact CD2-CZ2 3.9Å; L989-W1093 HydrophobicContact CD2-CZ3 4.21Å; L989-W1093 HydrophobicContact CG-CD2 4.36Å; L1090-W1093 WeakPolarHBondContact O-CA 3.44Å; L1090-W1093 PolarHBondContact O-N 2.95Å; C1091-W1093 PolarHBondContact O-N 2.86Å; W1093-Y1095 PolarHBondContact O-N 2.86Å; W1093-P1096 HydrophobicContact CE3-CB 4.21Å; W1093-P1096 WeakPolarHBondContact O-CD 3.48Å; W1093-P1096 WeakPolarHBondContact O-CG 3.19Å; W1093-C1100 HydrophobicContact CH2-CB 4.28Å; W1093-C1100 HydrophobicContact CZ3-CB 3.97Å; W1093-L1103 HydrophobicContact CZ2-CD1 4.21Å
1094	R	85	Confident	88.3	Confident	174 Å²	174	42 Å²	42	66%	0.657	20%	0.202	S	C	*	.	S	Bend	trans	-69.5	-18.7	178.1	-163.2	63.9	167	108	-9.8	112.1	Y1089 R1092	Y1089-R1094 PolarHBondContact O-N 3.23Å; R1092-R1094 PolarHBondContact O-N 3.36Å
1095	Y	84.9	Confident	88.4	Confident	45 Å²	45	40.3 Å²	40.3	18%	0.176	19%	0.194	C	C	.	.	S	Bend	trans	-128.8	76.8	171.6	-61.6	-79.5	0	0	0	110.7	W1093 S1097 L1098 S1099 V1152 P1153 K1158	W1093-Y1095 PolarHBondContact O-N 2.86Å; Y1095-S1097 VanDerWaalsContact C-N 3.32Å; Y1095-S1097 PolarHBondContact O-N 3.14Å; Y1095-S1097 VanDerWaalsContact O-N 3.16Å; Y1095-L1098 PolarHBondContact O-N 2.91Å; Y1095-L1098 VanDerWaalsContact O-N 3.13Å; Y1095-S1099 WeakPolarHBondContact O-CB 3.17Å; Y1095-S1099 PolarHBondContact O-N 3.35Å; Y1095-S1099 PolarHBondContact O-OG 3.5Å; Y1095-V1152 HydrophobicContact CD2-CG1 3.84Å; Y1095-V1152 HydrophobicContact CE2-CG1 3.9Å; Y1095-P1153 HydrophobicContact CE1-CG 4.49Å; Y1095-P1153 HydrophobicContact CE2-CG 4.17Å; Y1095-P1153 WeakPolarHBondContact OH-CG 3.23Å; Y1095-K1158 VanDerWaalsContact OH-CE 3.23Å; Y1095-K1158 WeakPolarHBondContact OH-CE 3.27Å
1096	P	85	Confident	88.6	Confident	51 Å²	51	40.4 Å²	40.4	33%	0.331	19%	0.194	S	C	.	.	H	α-helix	trans	-52.5	-36.5	-171.9	-30.2	33.3	0	0	0	116.4	W1093 S1099 C1100 Y1197	W1093-P1096 HydrophobicContact CE3-CB 4.21Å; W1093-P1096 WeakPolarHBondContact O-CD 3.48Å; W1093-P1096 WeakPolarHBondContact O-CG 3.19Å; P1096-S1099 PolarHBondContact O-N 3.13Å; P1096-C1100 WeakPolarHBondContact O-CB 3.24Å; P1096-C1100 PolarHBondContact O-N 2.84Å; P1096-Y1197 WeakPolarHBondContact CB-OH 3.31Å; P1096-Y1197 WeakPolarHBondContact CD-OH 3.34Å; P1096-Y1197 HydrophobicContact CG-CE1 4.3Å
1097	S	84.1	Confident	88.6	Confident	39 Å²	39	42 Å²	42	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-50.3	175.7	53.2	0	0	0	0	112.8	Y829 Y1095 S1099 L1101 Y1197	Y829-S1097 PolarHBondContact OH-OG 3.24Å; Y1095-S1097 VanDerWaalsContact C-N 3.32Å; Y1095-S1097 PolarHBondContact O-N 3.14Å; Y1095-S1097 VanDerWaalsContact O-N 3.16Å; S1097-S1099 VanDerWaalsContact C-N 3.34Å; S1097-L1101 WeakPolarHBondContact O-CB 3.37Å; S1097-L1101 PolarHBondContact O-N 3.49Å; S1097-L1101 VanDerWaalsContact O-N 3.13Å; S1097-Y1197 PolarHBondContact N-OH 3.01Å
1098	L	87.8	Confident	88.7	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-34.3	174.2	-68.7	175.4	0	0	0	112	Y829 A897 L1090 Y1095 F1102 I1148 R1151 V1152	Y829-L1098 HydrophobicContact CD1-CD1 3.86Å; Y829-L1098 HydrophobicContact CD1-CD2 4.37Å; Y829-L1098 HydrophobicContact CD1-CG 4.29Å; Y829-L1098 HydrophobicContact CD2-CD2 4.42Å; Y829-L1098 HydrophobicContact CE1-CD1 3.62Å; Y829-L1098 HydrophobicContact CE1-CD2 3.83Å; Y829-L1098 HydrophobicContact CE1-CG 3.59Å; Y829-L1098 HydrophobicContact CE2-CD2 3.88Å; A897-L1098 HydrophobicContact CB-CD2 4.08Å; L1090-L1098 HydrophobicContact CD2-CB 3.88Å; Y1095-L1098 PolarHBondContact O-N 2.91Å; Y1095-L1098 VanDerWaalsContact O-N 3.13Å; L1098-F1102 WeakPolarHBondContact O-CB 3.46Å; L1098-F1102 PolarHBondContact O-N 3.26Å; L1098-I1148 HydrophobicContact CB-CG2 4.49Å; L1098-I1148 HydrophobicContact CD2-CG2 4.26Å; L1098-R1151 HydrophobicContact CD1-CB 4.06Å; L1098-R1151 HydrophobicContact CD2-CB 4.3Å; L1098-V1152 HydrophobicContact CD1-CG2 3.73Å
1099	S	90.8	Very high	88.7	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72	-40	-178.2	-49.5	0	0	0	0	112	L1090 Y1095 P1096 S1097 L1103	L1090-S1099 PolarHBondContact O-OG 2.98Å; Y1095-S1099 WeakPolarHBondContact O-CB 3.17Å; Y1095-S1099 PolarHBondContact O-N 3.35Å; Y1095-S1099 PolarHBondContact O-OG 3.5Å; P1096-S1099 PolarHBondContact O-N 3.13Å; S1097-S1099 VanDerWaalsContact C-N 3.34Å; S1099-L1103 WeakPolarHBondContact O-CB 3.42Å; S1099-L1103 PolarHBondContact O-N 2.97Å
1100	C	90.1	Very high	88.8	Confident	61 Å²	61	44.4 Å²	44.4	41%	0.412	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-49.8	171.1	-178.3	0	0	0	0	111	W1093 P1096 F1102 L1103 V1104	W1093-C1100 HydrophobicContact CH2-CB 4.28Å; W1093-C1100 HydrophobicContact CZ3-CB 3.97Å; P1096-C1100 WeakPolarHBondContact O-CB 3.24Å; P1096-C1100 PolarHBondContact O-N 2.84Å; C1100-F1102 VanDerWaalsContact C-N 3.33Å; C1100-F1102 PolarHBondContact O-N 3.22Å; C1100-L1103 WeakPolarHBondContact O-CB 3.42Å; C1100-L1103 PolarHBondContact O-N 2.81Å; C1100-V1104 WeakPolarHBondContact O-CG2 3.34Å; C1100-V1104 PolarHBondContact O-N 3.32Å
1101	L	89.1	Confident	88.9	Confident	22 Å²	22	49 Å²	49	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-40.9	178.5	-174.9	157.1	0	0	0	111.9	S894 A897 L898 S1097 V1104 T1105 I1148	S894-L1101 WeakPolarHBondContact O-CD1 3.3Å; A897-L1101 HydrophobicContact CB-CD1 4.17Å; L898-L1101 HydrophobicContact CD2-CD2 3.66Å; L898-L1101 HydrophobicContact CD2-CG 4.47Å; L898-L1101 HydrophobicContact CG-CD2 4.39Å; S1097-L1101 WeakPolarHBondContact O-CB 3.37Å; S1097-L1101 PolarHBondContact O-N 3.49Å; S1097-L1101 VanDerWaalsContact O-N 3.13Å; L1101-V1104 PolarHBondContact O-N 3.04Å; L1101-T1105 HydrophobicContact CD2-CG2 4.28Å; L1101-T1105 WeakPolarHBondContact O-CG2 3.4Å; L1101-T1105 PolarHBondContact O-N 3.41Å; L1101-T1105 PolarHBondContact O-OG1 2.91Å; L1101-I1148 HydrophobicContact CD2-CD1 3.41Å; L1101-I1148 VanDerWaalsContact CD2-CD1 3.41Å; L1101-I1148 HydrophobicContact CD2-CG1 3.53Å; L1101-I1148 HydrophobicContact CD2-CG2 4.17Å
1102	F	91.2	Very high	89	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.7	-51.6	172.8	-173.7	-116.4	0	0	0	111.3	M985 L1087 L1090 L1098 C1100 V1104 T1105 I1106 F1145 I1148	M985-F1102 HydrophobicContact CE-CD1 3.97Å; M985-F1102 HydrophobicContact SD-CD1 3.98Å; M985-F1102 HydrophobicContact SD-CE1 4.13Å; L1087-F1102 HydrophobicContact CD1-CE1 3.92Å; L1087-F1102 HydrophobicContact CD1-CZ 3.6Å; L1090-F1102 HydrophobicContact CB-CD1 4.15Å; L1090-F1102 HydrophobicContact CB-CE1 4.32Å; L1090-F1102 HydrophobicContact CD1-CB 4.44Å; L1090-F1102 HydrophobicContact CD1-CD1 3.96Å; L1090-F1102 HydrophobicContact CD1-CD2 3.86Å; L1090-F1102 HydrophobicContact CD1-CE1 4.03Å; L1090-F1102 HydrophobicContact CD1-CE2 3.92Å; L1090-F1102 HydrophobicContact CD1-CG 3.87Å; L1090-F1102 HydrophobicContact CD1-CZ 4.01Å; L1090-F1102 HydrophobicContact CD2-CB 4.4Å; L1098-F1102 WeakPolarHBondContact O-CB 3.46Å; L1098-F1102 PolarHBondContact O-N 3.26Å; C1100-F1102 VanDerWaalsContact C-N 3.33Å; C1100-F1102 PolarHBondContact O-N 3.22Å; F1102-V1104 PolarHBondContact O-N 3.19Å; F1102-T1105 PolarHBondContact O-N 2.92Å; F1102-T1105 PolarHBondContact O-OG1 3.05Å; F1102-I1106 HydrophobicContact CD1-CD1 3.53Å; F1102-I1106 HydrophobicContact CD2-CD1 4.26Å; F1102-I1106 HydrophobicContact CE1-CD1 3.43Å; F1102-I1106 VanDerWaalsContact CE1-CD1 3.43Å; F1102-I1106 HydrophobicContact CE2-CD1 4.18Å; F1102-I1106 HydrophobicContact CG-CD1 3.96Å; F1102-I1106 HydrophobicContact CZ-CD1 3.78Å; F1102-I1106 WeakPolarHBondContact O-CG1 3.44Å; F1102-I1106 PolarHBondContact O-N 2.81Å; F1102-F1145 AromaticContact CE2-CD2 3.6Å; F1102-F1145 HydrophobicContact CE2-CD2 3.6Å; F1102-F1145 AromaticContact CE2-CE2 3.34Å; F1102-F1145 HydrophobicContact CE2-CE2 3.34Å; F1102-F1145 HydrophobicContact CE2-CG 4.33Å; F1102-F1145 AromaticContact CE2-CZ 3.87Å; F1102-F1145 HydrophobicContact CE2-CZ 3.87Å; F1102-F1145 HydrophobicContact CZ-CD2 4.18Å; F1102-F1145 AromaticContact CZ-CE2 3.46Å; F1102-F1145 HydrophobicContact CZ-CE2 3.46Å; F1102-F1145 VanDerWaalsContact CZ-CE2 3.46Å; F1102-F1145 AromaticContact CZ-CZ 3.85Å; F1102-F1145 HydrophobicContact CZ-CZ 3.85Å; F1102-I1148 HydrophobicContact CB-CG2 4.21Å; F1102-I1148 HydrophobicContact CD2-CD1 4.33Å; F1102-I1148 HydrophobicContact CD2-CG2 4.27Å
1103	L	91.8	Very high	89.1	Confident	21 Å²	21	46.4 Å²	46.4	11%	0.11	24%	0.238	C	C	.	.	H	α-helix	trans	-56.5	-45.9	174.9	171.1	140.1	0	0	0	112.2	A982 M985 I986 W1093 S1099 C1100 T1105 I1106 L1107	A982-L1103 HydrophobicContact CB-CD1 4.49Å; M985-L1103 HydrophobicContact CB-CD1 3.99Å; I986-L1103 HydrophobicContact CD1-CD1 4.08Å; I986-L1103 HydrophobicContact CG1-CD1 3.63Å; W1093-L1103 HydrophobicContact CZ2-CD1 4.21Å; S1099-L1103 WeakPolarHBondContact O-CB 3.42Å; S1099-L1103 PolarHBondContact O-N 2.97Å; C1100-L1103 WeakPolarHBondContact O-CB 3.42Å; C1100-L1103 PolarHBondContact O-N 2.81Å; L1103-T1105 PolarHBondContact O-N 3.43Å; L1103-I1106 PolarHBondContact O-N 3.04Å; L1103-L1107 HydrophobicContact CD2-CD1 3.67Å; L1103-L1107 HydrophobicContact CG-CD1 4.1Å; L1103-L1107 WeakPolarHBondContact O-CG 3.31Å; L1103-L1107 PolarHBondContact O-N 3.06Å
1104	V	91.5	Very high	89.3	Confident	67 Å²	67	51.1 Å²	51.1	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-60.7	-44.2	176.9	169.8	0	0	0	0	111	C1100 L1101 F1102 I1106 L1107 I1108	C1100-V1104 WeakPolarHBondContact O-CG2 3.34Å; C1100-V1104 PolarHBondContact O-N 3.32Å; L1101-V1104 PolarHBondContact O-N 3.04Å; F1102-V1104 PolarHBondContact O-N 3.19Å; V1104-I1106 VanDerWaalsContact C-N 3.35Å; V1104-I1106 PolarHBondContact O-N 2.98Å; V1104-L1107 PolarHBondContact O-N 3.25Å; V1104-I1108 HydrophobicContact CG1-CD1 3.78Å; V1104-I1108 VanDerWaalsContact O-CG1 3.3Å; V1104-I1108 WeakPolarHBondContact O-CG1 3.35Å; V1104-I1108 PolarHBondContact O-N 3.4Å
1105	T	89.3	Confident	89.6	Confident	15 Å²	15	50 Å²	50	9%	0.092	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-34.6	176.2	57.3	0	0	0	0	113.5	L898 L1101 F1102 L1103 I1108 I1109 I1148	L898-T1105 HydrophobicContact CD2-CG2 3.45Å; L898-T1105 VanDerWaalsContact CD2-CG2 3.45Å; L1101-T1105 HydrophobicContact CD2-CG2 4.28Å; L1101-T1105 WeakPolarHBondContact O-CG2 3.4Å; L1101-T1105 PolarHBondContact O-N 3.41Å; L1101-T1105 PolarHBondContact O-OG1 2.91Å; F1102-T1105 PolarHBondContact O-N 2.92Å; F1102-T1105 PolarHBondContact O-OG1 3.05Å; L1103-T1105 PolarHBondContact O-N 3.43Å; T1105-I1108 PolarHBondContact O-N 3.12Å; T1105-I1109 WeakPolarHBondContact O-CB 3.4Å; T1105-I1109 WeakPolarHBondContact O-CD1 3.47Å; T1105-I1109 WeakPolarHBondContact O-CG1 3.39Å; T1105-I1109 PolarHBondContact O-N 3.37Å; T1105-I1148 HydrophobicContact CG2-CD1 3.96Å; T1105-I1148 WeakPolarHBondContact OG1-CD1 3.36Å
1106	I	91	Very high	89.8	Confident	9 Å²	9	51.5 Å²	51.5	5%	0.046	27%	0.267	C	S	.	.	H	α-helix	trans	-67.7	-41.9	175.9	-70.6	162.1	0	0	0	110.7	G978 L981 A982 F1102 L1103 V1104 I1109 S1110	G978-I1106 WeakPolarHBondContact O-CG2 3.43Å; L981-I1106 HydrophobicContact CB-CG2 4.39Å; L981-I1106 HydrophobicContact CD2-CD1 3.71Å; L981-I1106 HydrophobicContact CD2-CG1 4.36Å; L981-I1106 HydrophobicContact CD2-CG2 4.45Å; L981-I1106 HydrophobicContact CG-CD1 4.19Å; A982-I1106 HydrophobicContact CB-CG2 4.2Å; F1102-I1106 HydrophobicContact CD1-CD1 3.53Å; F1102-I1106 HydrophobicContact CD2-CD1 4.26Å; F1102-I1106 HydrophobicContact CE1-CD1 3.43Å; F1102-I1106 VanDerWaalsContact CE1-CD1 3.43Å; F1102-I1106 HydrophobicContact CE2-CD1 4.18Å; F1102-I1106 HydrophobicContact CG-CD1 3.96Å; F1102-I1106 HydrophobicContact CZ-CD1 3.78Å; F1102-I1106 WeakPolarHBondContact O-CG1 3.44Å; F1102-I1106 PolarHBondContact O-N 2.81Å; L1103-I1106 PolarHBondContact O-N 3.04Å; V1104-I1106 VanDerWaalsContact C-N 3.35Å; V1104-I1106 PolarHBondContact O-N 2.98Å; I1106-I1109 PolarHBondContact O-N 3.15Å; I1106-S1110 WeakPolarHBondContact O-CB 3.45Å; I1106-S1110 PolarHBondContact O-N 2.89Å
1107	L	92.3	Very high	89.9	Confident	57 Å²	57	51.6 Å²	51.6	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-63.5	-44.2	174.8	-71.6	171.6	0	0	0	111.6	A982 L1103 V1104 I1109 S1110 I1111	A982-L1107 HydrophobicContact CB-CD2 3.65Å; A982-L1107 HydrophobicContact CB-CG 3.97Å; L1103-L1107 HydrophobicContact CD2-CD1 3.67Å; L1103-L1107 HydrophobicContact CG-CD1 4.1Å; L1103-L1107 WeakPolarHBondContact O-CG 3.31Å; L1103-L1107 PolarHBondContact O-N 3.06Å; V1104-L1107 PolarHBondContact O-N 3.25Å; L1107-I1109 PolarHBondContact O-N 3.21Å; L1107-S1110 WeakPolarHBondContact O-CB 3.42Å; L1107-S1110 PolarHBondContact O-N 2.71Å; L1107-I1111 VanDerWaalsContact O-CG1 3.29Å; L1107-I1111 WeakPolarHBondContact O-CG1 3.2Å; L1107-I1111 PolarHBondContact O-N 2.78Å
1108	I	91	Very high	89.8	Confident	86 Å²	86	53.1 Å²	53.1	44%	0.441	27%	0.273	S	S	.	.	H	α-helix	trans	-61.1	-43.5	174.8	-68.9	166.1	0	0	0	111.1	V1104 T1105 S1110 I1111 I1112	V1104-I1108 HydrophobicContact CG1-CD1 3.78Å; V1104-I1108 VanDerWaalsContact O-CG1 3.3Å; V1104-I1108 WeakPolarHBondContact O-CG1 3.35Å; V1104-I1108 PolarHBondContact O-N 3.4Å; T1105-I1108 PolarHBondContact O-N 3.12Å; I1108-S1110 VanDerWaalsContact C-N 3.33Å; I1108-S1110 PolarHBondContact O-N 3.47Å; I1108-I1111 PolarHBondContact O-N 2.9Å; I1108-I1112 HydrophobicContact CG2-CD1 3.79Å; I1108-I1112 VanDerWaalsContact O-CG1 3.28Å; I1108-I1112 WeakPolarHBondContact O-CG1 3.4Å; I1108-I1112 PolarHBondContact O-N 2.78Å
1109	I	88.4	Confident	89.8	Confident	77 Å²	77	60.8 Å²	60.8	40%	0.395	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-38.3	176.3	-71.6	164	0	0	0	111.2	T1105 I1106 L1107 I1112 L1113	T1105-I1109 WeakPolarHBondContact O-CB 3.4Å; T1105-I1109 WeakPolarHBondContact O-CD1 3.47Å; T1105-I1109 WeakPolarHBondContact O-CG1 3.39Å; T1105-I1109 PolarHBondContact O-N 3.37Å; I1106-I1109 PolarHBondContact O-N 3.15Å; L1107-I1109 PolarHBondContact O-N 3.21Å; I1109-I1112 PolarHBondContact O-N 3.04Å; I1109-L1113 HydrophobicContact CG2-CD1 3.88Å; I1109-L1113 WeakPolarHBondContact O-CB 3.35Å; I1109-L1113 WeakPolarHBondContact O-CG 3.49Å; I1109-L1113 PolarHBondContact O-N 2.67Å
1110	S	90.9	Very high	89.7	Confident	8 Å²	8	66.9 Å²	66.9	6%	0.056	33%	0.326	C	S	.	.	H	α-helix	trans	-61.4	-49.9	173.6	-172.8	0	0	0	0	111.5	Y975 I1106 L1107 I1108 I1112 L1113 Y1114	Y975-S1110 WeakPolarHBondContact CB-O 3.44Å; Y975-S1110 PolarHBondContact O-OG 3.38Å; Y975-S1110 VanDerWaalsContact O-OG 3.07Å; I1106-S1110 WeakPolarHBondContact O-CB 3.45Å; I1106-S1110 PolarHBondContact O-N 2.89Å; L1107-S1110 WeakPolarHBondContact O-CB 3.42Å; L1107-S1110 PolarHBondContact O-N 2.71Å; I1108-S1110 VanDerWaalsContact C-N 3.33Å; I1108-S1110 PolarHBondContact O-N 3.47Å; S1110-I1112 VanDerWaalsContact C-N 3.32Å; S1110-I1112 PolarHBondContact O-N 3.13Å; S1110-L1113 CarbonylContact O-C 3.55Å; S1110-L1113 PolarHBondContact O-N 3.01Å; S1110-L1113 VanDerWaalsContact O-N 3.1Å; S1110-Y1114 PolarHBondContact O-N 3.42Å
1111	I	91.7	Very high	89.5	Confident	96 Å²	96	67.2 Å²	67.2	49%	0.492	32%	0.323	S	S	.	.	H	α-helix	trans	-59.7	-42	178	-67	162	0	0	0	111.1	L1107 I1108 Y1114 F1115	L1107-I1111 VanDerWaalsContact O-CG1 3.29Å; L1107-I1111 WeakPolarHBondContact O-CG1 3.2Å; L1107-I1111 PolarHBondContact O-N 2.78Å; I1108-I1111 PolarHBondContact O-N 2.9Å; I1111-Y1114 WeakPolarHBondContact O-CB 3.23Å; I1111-Y1114 PolarHBondContact O-N 3.49Å; I1111-F1115 HydrophobicContact CG2-CD2 3.97Å; I1111-F1115 HydrophobicContact CG2-CE2 3.88Å; I1111-F1115 WeakPolarHBondContact O-CD2 3.4Å; I1111-F1115 PolarHBondContact O-N 3.18Å
1112	I	89.7	Confident	89.4	Confident	77 Å²	77	70.6 Å²	70.6	40%	0.395	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-41.2	175.5	-69.1	166.6	0	0	0	111.4	I1108 I1109 S1110 Y1114 I1116 I1121	I1108-I1112 HydrophobicContact CG2-CD1 3.79Å; I1108-I1112 VanDerWaalsContact O-CG1 3.28Å; I1108-I1112 WeakPolarHBondContact O-CG1 3.4Å; I1108-I1112 PolarHBondContact O-N 2.78Å; I1109-I1112 PolarHBondContact O-N 3.04Å; S1110-I1112 VanDerWaalsContact C-N 3.32Å; S1110-I1112 PolarHBondContact O-N 3.13Å; I1112-Y1114 VanDerWaalsContact C-N 3.28Å; I1112-Y1114 PolarHBondContact O-N 3.17Å; I1112-I1116 HydrophobicContact CG2-CD1 4.3Å; I1112-I1116 WeakPolarHBondContact O-CA 3.4Å; I1112-I1116 WeakPolarHBondContact O-CB 3.48Å; I1112-I1116 PolarHBondContact O-N 2.91Å; I1112-I1121 HydrophobicContact CG2-CD1 4.19Å
1113	L	89.1	Confident	89.3	Confident	32 Å²	32	77 Å²	77	17%	0.168	37%	0.368	C	S	.	.	H	α-helix	trans	-70.9	-20.6	177.5	-79.3	166.5	0	0	0	113.9	I1109 S1110 L1118 I1121	I1109-L1113 HydrophobicContact CG2-CD1 3.88Å; I1109-L1113 WeakPolarHBondContact O-CB 3.35Å; I1109-L1113 WeakPolarHBondContact O-CG 3.49Å; I1109-L1113 PolarHBondContact O-N 2.67Å; S1110-L1113 CarbonylContact O-C 3.55Å; S1110-L1113 PolarHBondContact O-N 3.01Å; S1110-L1113 VanDerWaalsContact O-N 3.1Å; L1113-L1118 HydrophobicContact CD2-CB 4.03Å; L1113-L1118 HydrophobicContact CD2-CD1 3.97Å; L1113-L1118 HydrophobicContact CD2-CG 4.25Å; L1113-I1121 HydrophobicContact CD2-CD1 3.71Å; L1113-I1121 HydrophobicContact CG-CD1 4.38Å
1114	Y	90.2	Very high	89	Confident	135 Å²	135	77.7 Å²	77.7	53%	0.529	38%	0.38	S	S	.	.	H	α-helix	trans	-74.1	-50.8	172.6	176.4	-102	0	0	0	111	Y975 S1110 I1111 I1112	Y975-Y1114 HydrophobicContact CD1-CD2 4.05Å; Y975-Y1114 HydrophobicContact CD2-CD2 4.42Å; Y975-Y1114 AromaticContact CE1-CD2 3.65Å; Y975-Y1114 HydrophobicContact CE1-CD2 3.65Å; Y975-Y1114 HydrophobicContact CE1-CE2 4.35Å; Y975-Y1114 HydrophobicContact CE2-CD2 4.06Å; Y975-Y1114 HydrophobicContact CG-CD2 4.42Å; Y975-Y1114 AromaticContact CZ-CD2 3.65Å; S1110-Y1114 PolarHBondContact O-N 3.42Å; I1111-Y1114 WeakPolarHBondContact O-CB 3.23Å; I1111-Y1114 PolarHBondContact O-N 3.49Å; I1112-Y1114 VanDerWaalsContact C-N 3.28Å; I1112-Y1114 PolarHBondContact O-N 3.17Å
1115	F	91.6	Very high	88.6	Confident	151 Å²	151	80.7 Å²	80.7	66%	0.662	39%	0.385	S	S	*	.	H	α-helix	trans	-78	-29.4	-179.6	-69.6	-65.7	0	0	0	114.2	I1111	I1111-F1115 HydrophobicContact CG2-CD2 3.97Å; I1111-F1115 HydrophobicContact CG2-CE2 3.88Å; I1111-F1115 WeakPolarHBondContact O-CD2 3.4Å; I1111-F1115 PolarHBondContact O-N 3.18Å
1116	I	89.5	Confident	88.4	Confident	76 Å²	76	82.6 Å²	82.6	39%	0.39	40%	0.397	S	S	.	.	S	Bend	trans	-117	104.2	-176.6	-52.1	-176.7	0	0	0	109.7	I1112 L1118 I1121	I1112-I1116 HydrophobicContact CG2-CD1 4.3Å; I1112-I1116 WeakPolarHBondContact O-CA 3.4Å; I1112-I1116 WeakPolarHBondContact O-CB 3.48Å; I1112-I1116 PolarHBondContact O-N 2.91Å; I1116-L1118 PolarHBondContact O-N 2.79Å; I1116-I1121 HydrophobicContact CB-CD1 4.25Å; I1116-I1121 HydrophobicContact CB-CG1 4.46Å; I1116-I1121 HydrophobicContact CG2-CD1 4.19Å; I1116-I1121 HydrophobicContact CG2-CG1 3.88Å
1117	P	87.1	Confident	88.3	Confident	54 Å²	54	86.5 Å²	86.5	35%	0.351	42%	0.417	S	S	.	.			trans	-51.8	130.2	176.8	-30.3	35.8	0	0	0	112.5	R1119 Y1120	P1117-R1119 HydrophobicContact CB-CG 4.21Å; P1117-R1119 PolarHBondContact O-N 3Å; P1117-Y1120 HydrophobicContact CB-CD2 3.92Å; P1117-Y1120 HydrophobicContact CB-CE2 4.04Å; P1117-Y1120 HydrophobicContact CG-CD2 4.22Å; P1117-Y1120 HydrophobicContact CG-CE2 4.09Å; P1117-Y1120 PolarHBondContact O-N 2.7Å
1118	L	82.5	Confident	87.8	Confident	71 Å²	71	90.2 Å²	90.2	37%	0.372	43%	0.431	S	S	.	.	H	α-helix	trans	-51.9	-26.6	-170.6	-178.5	149.7	0	0	0	114.3	P974 L1113 I1116 Y1120 I1121 I1122	P974-L1118 HydrophobicContact CB-CB 4.4Å; P974-L1118 HydrophobicContact CB-CD1 3.58Å; P974-L1118 HydrophobicContact CG-CB 4.23Å; P974-L1118 HydrophobicContact CG-CD1 3.96Å; L1113-L1118 HydrophobicContact CD2-CB 4.03Å; L1113-L1118 HydrophobicContact CD2-CD1 3.97Å; L1113-L1118 HydrophobicContact CD2-CG 4.25Å; I1116-L1118 PolarHBondContact O-N 2.79Å; L1118-Y1120 VanDerWaalsContact C-N 3.32Å; L1118-Y1120 PolarHBondContact O-N 2.94Å; L1118-I1121 PolarHBondContact O-N 2.74Å; L1118-I1122 HydrophobicContact CD2-CD1 3.46Å; L1118-I1122 VanDerWaalsContact CD2-CD1 3.46Å; L1118-I1122 HydrophobicContact CD2-CG1 3.86Å; L1118-I1122 PolarHBondContact O-N 3.23Å
1119	R	86.8	Confident	87.2	Confident	161 Å²	161	92.6 Å²	92.6	61%	0.608	44%	0.438	S	S	*	.	H	α-helix	trans	-54.6	-41	171.7	66.4	-177	-177.5	-122.3	0.4	113.5	P1117 I1122 F1123	P1117-R1119 HydrophobicContact CB-CG 4.21Å; P1117-R1119 PolarHBondContact O-N 3Å; R1119-I1122 PolarHBondContact O-N 3.02Å; R1119-F1123 WeakPolarHBondContact O-CB 3.46Å; R1119-F1123 PolarHBondContact O-N 3.25Å
1120	Y	89.7	Confident	86.9	Confident	129 Å²	129	96.8 Å²	96.8	51%	0.506	45%	0.454	S	S	.	.	H	α-helix	trans	-74.9	-32.6	179.4	-58.5	-66.7	0	0	0	111.8	P1117 L1118 F1123 G1124	P1117-Y1120 HydrophobicContact CB-CD2 3.92Å; P1117-Y1120 HydrophobicContact CB-CE2 4.04Å; P1117-Y1120 HydrophobicContact CG-CD2 4.22Å; P1117-Y1120 HydrophobicContact CG-CE2 4.09Å; P1117-Y1120 PolarHBondContact O-N 2.7Å; L1118-Y1120 VanDerWaalsContact C-N 3.32Å; L1118-Y1120 PolarHBondContact O-N 2.94Å; Y1120-F1123 PolarHBondContact O-N 3.07Å; Y1120-G1124 PolarHBondContact O-N 3.39Å
1121	I	85.7	Confident	86.4	Confident	67 Å²	67	98.3 Å²	98.3	34%	0.344	46%	0.463	S	S	.	.	H	α-helix	trans	-68.8	-41	173.8	-64.1	166.3	0	0	0	110.4	I1112 L1113 I1116 L1118 Y1125	I1112-I1121 HydrophobicContact CG2-CD1 4.19Å; L1113-I1121 HydrophobicContact CD2-CD1 3.71Å; L1113-I1121 HydrophobicContact CG-CD1 4.38Å; I1116-I1121 HydrophobicContact CB-CD1 4.25Å; I1116-I1121 HydrophobicContact CB-CG1 4.46Å; I1116-I1121 HydrophobicContact CG2-CD1 4.19Å; I1116-I1121 HydrophobicContact CG2-CG1 3.88Å; L1118-I1121 PolarHBondContact O-N 2.74Å; I1121-Y1125 VanDerWaalsContact O-CB 3.25Å; I1121-Y1125 WeakPolarHBondContact O-CB 3.35Å; I1121-Y1125 PolarHBondContact O-N 3.01Å
1122	I	85.9	Confident	85.3	Confident	94 Å²	94	98.1 Å²	98.1	48%	0.482	46%	0.456	S	S	.	.	H	α-helix	trans	-61.6	-48	170.7	-73.6	-175.3	0	0	0	110.5	L1118 R1119 G1124 Y1125 T1126	L1118-I1122 HydrophobicContact CD2-CD1 3.46Å; L1118-I1122 VanDerWaalsContact CD2-CD1 3.46Å; L1118-I1122 HydrophobicContact CD2-CG1 3.86Å; L1118-I1122 PolarHBondContact O-N 3.23Å; R1119-I1122 PolarHBondContact O-N 3.02Å; I1122-G1124 PolarHBondContact O-N 3.48Å; I1122-Y1125 CarbonylContact O-C 3.35Å; I1122-Y1125 PolarHBondContact O-N 3.03Å; I1122-Y1125 VanDerWaalsContact O-N 3.13Å; I1122-T1126 HydrophobicContact CG2-CG2 4.24Å; I1122-T1126 WeakPolarHBondContact O-CG2 3.29Å; I1122-T1126 PolarHBondContact O-N 3.34Å; I1122-T1126 PolarHBondContact O-OG1 3.08Å
1123	F	89.4	Confident	84.1	Confident	133 Å²	133	102.9 Å²	102.9	58%	0.583	47%	0.474	S	S	*	.	H	α-helix	trans	-60.1	-46.5	179	-178.6	-96.9	0	0	0	112.2	R1119 Y1120 Y1125 T1126 L1127	R1119-F1123 WeakPolarHBondContact O-CB 3.46Å; R1119-F1123 PolarHBondContact O-N 3.25Å; Y1120-F1123 PolarHBondContact O-N 3.07Å; F1123-Y1125 VanDerWaalsContact C-N 3.3Å; F1123-Y1125 PolarHBondContact O-N 3.45Å; F1123-T1126 PolarHBondContact O-N 3.04Å; F1123-T1126 PolarHBondContact O-OG1 3.05Å; F1123-T1126 VanDerWaalsContact O-OG1 3.05Å; F1123-L1127 HydrophobicContact CE1-CD2 4.22Å; F1123-L1127 WeakPolarHBondContact O-CB 3.47Å; F1123-L1127 PolarHBondContact O-N 3.02Å
1124	G	86.6	Confident	83.1	Confident	36 Å²	36	109 Å²	109	37%	0.371	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-36.4	173.7	0	0	0	0	0	112.7	Y1120 I1122 K1128	Y1120-G1124 PolarHBondContact O-N 3.39Å; I1122-G1124 PolarHBondContact O-N 3.48Å; G1124-K1128 WeakPolarHBondContact O-CB 3.22Å; G1124-K1128 PolarHBondContact O-N 2.91Å
1125	Y	83.3	Confident	81.7	Confident	131 Å²	131	110.4 Å²	110.4	51%	0.514	51%	0.508	S	S	.	.	H	α-helix	trans	-70.9	-43.6	175.5	176.2	-95.6	0	0	0	113	I1121 I1122 F1123 K1128 K1129	I1121-Y1125 VanDerWaalsContact O-CB 3.25Å; I1121-Y1125 WeakPolarHBondContact O-CB 3.35Å; I1121-Y1125 PolarHBondContact O-N 3.01Å; I1122-Y1125 CarbonylContact O-C 3.35Å; I1122-Y1125 PolarHBondContact O-N 3.03Å; I1122-Y1125 VanDerWaalsContact O-N 3.13Å; F1123-Y1125 VanDerWaalsContact C-N 3.3Å; F1123-Y1125 PolarHBondContact O-N 3.45Å; Y1125-K1128 PolarHBondContact O-N 3.43Å; Y1125-K1129 HydrophobicContact CE1-CD 4.03Å; Y1125-K1129 VanDerWaalsContact O-CB 3.24Å; Y1125-K1129 WeakPolarHBondContact O-CB 3.34Å; Y1125-K1129 PolarHBondContact O-N 3.43Å
1126	T	84.9	Confident	79.8	Confident	54 Å²	54	109.1 Å²	109.1	33%	0.331	51%	0.508	S	S	.	.	H	α-helix	trans	-66.8	-47.5	176.9	53.9	0	0	0	0	110.2	I1122 F1123 K1128 K1129 F1130	I1122-T1126 HydrophobicContact CG2-CG2 4.24Å; I1122-T1126 WeakPolarHBondContact O-CG2 3.29Å; I1122-T1126 PolarHBondContact O-N 3.34Å; I1122-T1126 PolarHBondContact O-OG1 3.08Å; F1123-T1126 PolarHBondContact O-N 3.04Å; F1123-T1126 PolarHBondContact O-OG1 3.05Å; F1123-T1126 VanDerWaalsContact O-OG1 3.05Å; T1126-K1128 VanDerWaalsContact C-N 3.33Å; T1126-K1128 PolarHBondContact O-N 2.92Å; T1126-K1129 WeakPolarHBondContact O-CA 3.36Å; T1126-K1129 PolarHBondContact O-N 3.08Å; T1126-F1130 VanDerWaalsContact O-CD2 3.31Å; T1126-F1130 WeakPolarHBondContact O-CD2 3.44Å; T1126-F1130 PolarHBondContact O-N 2.81Å
1127	L	87.5	Confident	78.1	Confident	91 Å²	91	112.4 Å²	112.4	48%	0.476	52%	0.522	S	S	.	.	H	α-helix	trans	-55.4	-47.4	173.7	-175.7	63.6	0	0	0	111	F1123 K1129 F1130 T1131	F1123-L1127 HydrophobicContact CE1-CD2 4.22Å; F1123-L1127 WeakPolarHBondContact O-CB 3.47Å; F1123-L1127 PolarHBondContact O-N 3.02Å; L1127-K1129 VanDerWaalsContact C-N 3.32Å; L1127-K1129 PolarHBondContact O-N 2.93Å; L1127-F1130 PolarHBondContact O-N 2.92Å; L1127-T1131 HydrophobicContact CD1-CG2 4.03Å; L1127-T1131 HydrophobicContact CG-CG2 4.39Å; L1127-T1131 WeakPolarHBondContact O-CB 3.27Å; L1127-T1131 VanDerWaalsContact O-CG2 3.28Å; L1127-T1131 WeakPolarHBondContact O-CG2 3.47Å; L1127-T1131 PolarHBondContact O-N 3.36Å; L1127-T1131 PolarHBondContact O-OG1 3.03Å
1128	K	82	Confident	76.4	Confident	136 Å²	136	116 Å²	116	59%	0.591	53%	0.534	S	S	*	.	H	α-helix	trans	-61	-36.9	174.2	-178.4	173.2	-177.5	170.6	0	112.7	G1124 Y1125 T1126 T1131 R1132	G1124-K1128 WeakPolarHBondContact O-CB 3.22Å; G1124-K1128 PolarHBondContact O-N 2.91Å; Y1125-K1128 PolarHBondContact O-N 3.43Å; T1126-K1128 VanDerWaalsContact C-N 3.33Å; T1126-K1128 PolarHBondContact O-N 2.92Å; K1128-T1131 WeakPolarHBondContact CA-OG1 3.06Å; K1128-T1131 PolarHBondContact O-OG1 3.22Å; K1128-R1132 WeakPolarHBondContact O-CB 3.33Å; K1128-R1132 PolarHBondContact O-N 2.77Å
1129	K	78.9	Confident	74.8	Confident	135 Å²	135	123 Å²	123	59%	0.587	56%	0.555	S	S	*	*	H	α-helix	trans	-73.2	-40.2	-179.3	-172.8	177.5	178.3	-177.2	0	112.4	Y1125 T1126 L1127	Y1125-K1129 HydrophobicContact CE1-CD 4.03Å; Y1125-K1129 VanDerWaalsContact O-CB 3.24Å; Y1125-K1129 WeakPolarHBondContact O-CB 3.34Å; Y1125-K1129 PolarHBondContact O-N 3.43Å; T1126-K1129 WeakPolarHBondContact O-CA 3.36Å; T1126-K1129 PolarHBondContact O-N 3.08Å; L1127-K1129 VanDerWaalsContact C-N 3.32Å; L1127-K1129 PolarHBondContact O-N 2.93Å
1130	F	81.2	Confident	73.2	Confident	166 Å²	166	119.1 Å²	119.1	73%	0.728	55%	0.551	S	S	*	*	H	α-helix	trans	-70.4	-50.5	173.6	-80.8	-79.3	0	0	0	111.3	T1126 L1127 R1132 K1133	T1126-F1130 VanDerWaalsContact O-CD2 3.31Å; T1126-F1130 WeakPolarHBondContact O-CD2 3.44Å; T1126-F1130 PolarHBondContact O-N 2.81Å; L1127-F1130 PolarHBondContact O-N 2.92Å; F1130-R1132 VanDerWaalsContact C-N 3.28Å; F1130-R1132 PolarHBondContact O-N 3.43Å; F1130-K1133 PolarHBondContact O-N 3.26Å
1131	T	81	Confident	71.4	Confident	39 Å²	39	117 Å²	117	24%	0.239	56%	0.555	C	S	.	*	H	α-helix	trans	-64.8	-26	179.7	56.1	0	0	0	0	113.8	L1127 K1128 K1133 M1134 R1135	L1127-T1131 HydrophobicContact CD1-CG2 4.03Å; L1127-T1131 HydrophobicContact CG-CG2 4.39Å; L1127-T1131 WeakPolarHBondContact O-CB 3.27Å; L1127-T1131 VanDerWaalsContact O-CG2 3.28Å; L1127-T1131 WeakPolarHBondContact O-CG2 3.47Å; L1127-T1131 PolarHBondContact O-N 3.36Å; L1127-T1131 PolarHBondContact O-OG1 3.03Å; K1128-T1131 WeakPolarHBondContact CA-OG1 3.06Å; K1128-T1131 PolarHBondContact O-OG1 3.22Å; T1131-K1133 PolarHBondContact O-N 3.14Å; T1131-K1133 VanDerWaalsContact O-N 3.13Å; T1131-M1134 HydrophobicContact CG2-CE 4.37Å; T1131-M1134 CarbonylContact O-C 3.57Å; T1131-M1134 WeakPolarHBondContact O-CA 3.27Å; T1131-M1134 WeakPolarHBondContact O-CB 3.31Å; T1131-M1134 PolarHBondContact O-N 3.5Å; T1131-R1135 PolarHBondContact O-N 3.48Å
1132	R	68.1	Low	70	Confident	92 Å²	92	116.9 Å²	116.9	35%	0.347	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-55.9	-28.4	178.1	176.2	178	178.9	-153.3	2.5	114.2	K1128 F1130 M1134 R1139 S1141	K1128-R1132 WeakPolarHBondContact O-CB 3.33Å; K1128-R1132 PolarHBondContact O-N 2.77Å; F1130-R1132 VanDerWaalsContact C-N 3.28Å; F1130-R1132 PolarHBondContact O-N 3.43Å; R1132-M1134 PolarHBondContact O-N 3.33Å; R1132-R1139 PolarHBondContact NH2-O 3.43Å; R1132-S1141 PolarHBondContact NH1-OG 2.76Å
1133	K	65.6	Low	69.1	Low	177 Å²	177	116.5 Å²	116.5	77%	0.77	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-24.3	176.7	-156.7	-177.9	-179.8	-169.7	0	112.1	F1130 T1131	F1130-K1133 PolarHBondContact O-N 3.26Å; T1131-K1133 PolarHBondContact O-N 3.14Å; T1131-K1133 VanDerWaalsContact O-N 3.13Å
1134	M	67.6	Low	68.3	Low	161 Å²	161	114.6 Å²	114.6	79%	0.793	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-48.1	173.5	-51.8	-167.7	-64.2	0	0	110.9	T1131 R1132 N1136	T1131-M1134 HydrophobicContact CG2-CE 4.37Å; T1131-M1134 CarbonylContact O-C 3.57Å; T1131-M1134 WeakPolarHBondContact O-CA 3.27Å; T1131-M1134 WeakPolarHBondContact O-CB 3.31Å; T1131-M1134 PolarHBondContact O-N 3.5Å; R1132-M1134 PolarHBondContact O-N 3.33Å; M1134-N1136 VanDerWaalsContact C-N 3.31Å; M1134-N1136 PolarHBondContact O-N 2.98Å
1135	R	60.4	Low	67.8	Low	164 Å²	164	115.3 Å²	115.3	62%	0.619	55%	0.548	S	S	*	.	S	Bend	trans	-83.3	70.7	179.8	-166.9	171.1	59.9	163.2	-9.1	112.7	T1131	T1131-R1135 PolarHBondContact O-N 3.48Å
1136	N	51.5	Low	67.5	Low	124 Å²	124	113.3 Å²	113.3	66%	0.663	54%	0.542	S	S	*	.			trans	58.4	119.6	166.1	-159.5	-21.5	0	0	0	117.2	M1134 Q1138	M1134-N1136 VanDerWaalsContact C-N 3.31Å; M1134-N1136 PolarHBondContact O-N 2.98Å; N1136-Q1138 PolarHBondContact O-N 3.47Å
1137	Q	54.5	Low	67.2	Low	145 Å²	145	111 Å²	111	68%	0.678	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-21	-165.1	-61.6	-178	0.2	0	0	115.9	R1139	Q1137-R1139 PolarHBondContact O-N 3.1Å
1138	Q	50.8	Low	67.1	Low	131 Å²	131	106.6 Å²	106.6	61%	0.612	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-20.1	-157	-68.5	-80.7	-82.3	0	0	116.7	K568 N1136	K568-Q1138 VanDerWaalsContact CE-OE1 3.31Å; N1136-Q1138 PolarHBondContact O-N 3.47Å
1139	R	49.7	Very low	67.3	Low	218 Å²	218	100.2 Å²	100.2	82%	0.823	48%	0.478	S	S	*	.	S	Bend	trans	-86.5	128.1	-176	-76	-175.2	174.8	168.5	0.6	113	R1132 Q1137	R1132-R1139 PolarHBondContact NH2-O 3.43Å; Q1137-R1139 PolarHBondContact O-N 3.1Å
1140	P	53	Low	67.6	Low	79 Å²	79	97 Å²	97	51%	0.513	47%	0.467	S	S	.	.			trans	-75	134.2	173.8	30.5	-33.8	0	0	0	111.6	T1142	P1140-T1142 PolarHBondContact O-N 3.04Å
1141	S	51.8	Low	67.9	Low	84 Å²	84	89.5 Å²	89.5	59%	0.587	43%	0.434	S	S	*	.			trans	-90.5	66.1	-177.2	60.9	0	0	0	0	112.6	R1132	R1132-S1141 PolarHBondContact NH1-OG 2.76Å
1142	T	56.3	Low	68.2	Low	65 Å²	65	87.7 Å²	87.7	40%	0.399	42%	0.423	S	S	.	.			trans	-79.5	129.3	169	49.5	0	0	0	0	110.2	P900 P1140	P900-T1142 HydrophobicContact CB-CG2 4.3Å; P1140-T1142 PolarHBondContact O-N 3.04Å
1143	T	67.1	Low	69.1	Low	85 Å²	85	84 Å²	84	52%	0.521	41%	0.411	S	S	.	.			trans	-75.2	148.3	168.2	46.6	0	0	0	0	110.4	F1145 F1146 G1147	T1143-F1145 PolarHBondContact O-N 3.3Å; T1143-F1145 VanDerWaalsContact O-N 3.17Å; T1143-F1146 PolarHBondContact O-N 2.85Å; T1143-G1147 PolarHBondContact O-N 3.35Å
1144	L	72.7	Confident	70.1	Confident	93 Å²	93	75.8 Å²	75.8	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-53.4	-40.8	-172.8	-52.3	179.2	0	0	0	112.4	L898 F1146 G1147 I1148	L898-L1144 HydrophobicContact CB-CD2 4.35Å; L898-L1144 WeakPolarHBondContact O-CD2 3.4Å; L1144-F1146 VanDerWaalsContact C-N 3.33Å; L1144-F1146 PolarHBondContact O-N 2.95Å; L1144-G1147 WeakPolarHBondContact O-CA 3.32Å; L1144-G1147 PolarHBondContact O-N 3.07Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.26Å; L1144-I1148 PolarHBondContact O-N 3.25Å; L1144-I1148 VanDerWaalsContact O-N 3.11Å
1145	F	75.8	Confident	70.8	Confident	52 Å²	52	73.2 Å²	73.2	23%	0.228	36%	0.357	C	S	.	.	H	α-helix	trans	-46.4	-49.6	173.4	-176.3	-83.5	0	0	0	113.3	F1083 F1102 T1143 G1147 I1148 L1149	F1083-F1145 HydrophobicContact CE2-CE1 4.04Å; F1083-F1145 HydrophobicContact CZ-CE1 4.19Å; F1102-F1145 AromaticContact CE2-CD2 3.6Å; F1102-F1145 HydrophobicContact CE2-CD2 3.6Å; F1102-F1145 AromaticContact CE2-CE2 3.34Å; F1102-F1145 HydrophobicContact CE2-CE2 3.34Å; F1102-F1145 HydrophobicContact CE2-CG 4.33Å; F1102-F1145 AromaticContact CE2-CZ 3.87Å; F1102-F1145 HydrophobicContact CE2-CZ 3.87Å; F1102-F1145 HydrophobicContact CZ-CD2 4.18Å; F1102-F1145 AromaticContact CZ-CE2 3.46Å; F1102-F1145 HydrophobicContact CZ-CE2 3.46Å; F1102-F1145 VanDerWaalsContact CZ-CE2 3.46Å; F1102-F1145 AromaticContact CZ-CZ 3.85Å; F1102-F1145 HydrophobicContact CZ-CZ 3.85Å; T1143-F1145 PolarHBondContact O-N 3.3Å; T1143-F1145 VanDerWaalsContact O-N 3.17Å; F1145-G1147 VanDerWaalsContact C-N 3.32Å; F1145-G1147 PolarHBondContact O-N 3.38Å; F1145-I1148 PolarHBondContact O-N 2.94Å; F1145-L1149 HydrophobicContact CE1-CD2 4.13Å; F1145-L1149 WeakPolarHBondContact O-CB 3.46Å; F1145-L1149 PolarHBondContact O-N 3.25Å
1146	F	77.4	Confident	71.8	Confident	88 Å²	88	65.9 Å²	65.9	39%	0.386	33%	0.33	S	S	.	.	H	α-helix	trans	-74.1	-21.4	177.8	-82.4	-83.9	0	0	0	112.8	F1083 T1143 L1144 N1150	F1083-F1146 AromaticContact CD2-CE1 3.88Å; F1083-F1146 HydrophobicContact CD2-CE1 3.88Å; F1083-F1146 HydrophobicContact CD2-CZ 4.31Å; F1083-F1146 AromaticContact CE2-CE1 3.82Å; F1083-F1146 HydrophobicContact CE2-CE1 3.82Å; F1083-F1146 AromaticContact CE2-CZ 3.86Å; F1083-F1146 HydrophobicContact CE2-CZ 3.86Å; T1143-F1146 PolarHBondContact O-N 2.85Å; L1144-F1146 VanDerWaalsContact C-N 3.33Å; L1144-F1146 PolarHBondContact O-N 2.95Å; F1146-N1150 VanDerWaalsContact O-CB 3.3Å; F1146-N1150 WeakPolarHBondContact O-CB 3.25Å; F1146-N1150 PolarHBondContact O-N 2.83Å; F1146-N1150 PolarHBondContact O-ND2 2.56Å
1147	G	78.6	Confident	73.4	Confident	5 Å²	5	62 Å²	62	5%	0.052	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-43.8	170.1	0	0	0	0	0	111.9	A897 T1143 L1144 F1145 R1151	A897-G1147 CarbonylContact O-C 3.53Å; A897-G1147 VanDerWaalsContact O-C 3.31Å; T1143-G1147 PolarHBondContact O-N 3.35Å; L1144-G1147 WeakPolarHBondContact O-CA 3.32Å; L1144-G1147 PolarHBondContact O-N 3.07Å; F1145-G1147 VanDerWaalsContact C-N 3.32Å; F1145-G1147 PolarHBondContact O-N 3.38Å; G1147-R1151 PolarHBondContact O-NH1 3.35Å
1148	I	85.8	Confident	74.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.5	-50.1	178.5	-52.5	161.4	0	0	0	110	A897 L898 L1098 L1101 F1102 T1105 L1144 F1145 N1150 R1151	A897-I1148 PolarHBondContact O-N 3.35Å; L898-I1148 HydrophobicContact CD2-CD1 4.17Å; L898-I1148 HydrophobicContact CD2-CG1 4.38Å; L1098-I1148 HydrophobicContact CB-CG2 4.49Å; L1098-I1148 HydrophobicContact CD2-CG2 4.26Å; L1101-I1148 HydrophobicContact CD2-CD1 3.41Å; L1101-I1148 VanDerWaalsContact CD2-CD1 3.41Å; L1101-I1148 HydrophobicContact CD2-CG1 3.53Å; L1101-I1148 HydrophobicContact CD2-CG2 4.17Å; F1102-I1148 HydrophobicContact CB-CG2 4.21Å; F1102-I1148 HydrophobicContact CD2-CD1 4.33Å; F1102-I1148 HydrophobicContact CD2-CG2 4.27Å; T1105-I1148 HydrophobicContact CG2-CD1 3.96Å; T1105-I1148 WeakPolarHBondContact OG1-CD1 3.36Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.26Å; L1144-I1148 PolarHBondContact O-N 3.25Å; L1144-I1148 VanDerWaalsContact O-N 3.11Å; F1145-I1148 PolarHBondContact O-N 2.94Å; I1148-N1150 VanDerWaalsContact C-N 3.34Å; I1148-N1150 PolarHBondContact O-N 3.38Å; I1148-R1151 WeakPolarHBondContact O-CB 3.4Å; I1148-R1151 PolarHBondContact O-N 2.92Å
1149	L	86.3	Confident	76.2	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.01	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-40	-174.7	-166.4	70.4	0	0	0	112.5	F1083 R1086 L1087 L1090 F1145 R1151 V1152	F1083-L1149 HydrophobicContact CD2-CD2 3.32Å; F1083-L1149 HydrophobicContact CE2-CD2 3.42Å; F1083-L1149 VanDerWaalsContact CE2-CD2 3.42Å; F1083-L1149 HydrophobicContact CG-CD2 4.12Å; F1083-L1149 HydrophobicContact CZ-CD2 4.28Å; R1086-L1149 HydrophobicContact CB-CD1 3.67Å; R1086-L1149 HydrophobicContact CB-CG 3.93Å; R1086-L1149 WeakPolarHBondContact CD-O 3.49Å; L1087-L1149 HydrophobicContact CB-CD1 4.24Å; L1090-L1149 HydrophobicContact CD1-CD1 3.61Å; F1145-L1149 HydrophobicContact CE1-CD2 4.13Å; F1145-L1149 WeakPolarHBondContact O-CB 3.46Å; F1145-L1149 PolarHBondContact O-N 3.25Å; L1149-R1151 PolarHBondContact O-N 3.43Å; L1149-V1152 PolarHBondContact O-N 3.4Å
1150	N	84.9	Confident	77.7	Confident	66 Å²	66	46.8 Å²	46.8	35%	0.353	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	4.6	178.5	-71.4	-50	0	0	0	114.6	R1086 F1146 I1148	R1086-N1150 PolarHBondContact NH1-OD1 2.83Å; F1146-N1150 VanDerWaalsContact O-CB 3.3Å; F1146-N1150 WeakPolarHBondContact O-CB 3.25Å; F1146-N1150 PolarHBondContact O-N 2.83Å; F1146-N1150 PolarHBondContact O-ND2 2.56Å; I1148-N1150 VanDerWaalsContact C-N 3.34Å; I1148-N1150 PolarHBondContact O-N 3.38Å
1151	R	87.6	Confident	79.1	Confident	9 Å²	9	44.7 Å²	44.7	3%	0.034	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-17.8	169.3	-72.8	-179.6	170.5	89.2	-0.8	113.5	D827 Y829 R896 A897 Y899 L1098 G1147 I1148 L1149	D827-R1151 IonicContact OD1-NE 2.8Å; D827-R1151 PolarHBondContact OD1-NE 3.29Å; D827-R1151 IonicContact OD2-CZ 3.25Å; D827-R1151 IonicContact OD2-NE 2.71Å; D827-R1151 PolarHBondContact OD2-NE 2.92Å; D827-R1151 IonicContact OD2-NH2 2.94Å; D827-R1151 PolarHBondContact OD2-NH2 2.8Å; Y829-R1151 HydrophobicContact CD1-CB 4.4Å; Y829-R1151 HydrophobicContact CD2-CB 4.48Å; Y829-R1151 HydrophobicContact CD2-CG 4.46Å; Y829-R1151 HydrophobicContact CG-CB 3.97Å; Y829-R1151 HydrophobicContact CG-CG 4.24Å; R896-R1151 PolarHBondContact O-NH2 3.11Å; A897-R1151 PolarHBondContact O-NH1 3.4Å; Y899-R1151 VanDerWaalsContact O-CZ 3.31Å; Y899-R1151 PolarHBondContact O-NH1 2.85Å; Y899-R1151 PolarHBondContact O-NH2 2.97Å; L1098-R1151 HydrophobicContact CD1-CB 4.06Å; L1098-R1151 HydrophobicContact CD2-CB 4.3Å; G1147-R1151 PolarHBondContact O-NH1 3.35Å; I1148-R1151 WeakPolarHBondContact O-CB 3.4Å; I1148-R1151 PolarHBondContact O-N 2.92Å; L1149-R1151 PolarHBondContact O-N 3.43Å
1152	V	87.5	Confident	80.5	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	22%	0.224	C	C	.	.	S	Bend	trans	-75.5	130.4	169.4	-179.6	0	0	0	0	108.6	R1086 Y1089 L1090 Y1095 L1098 L1149	R1086-V1152 HydrophobicContact CB-CB 4.15Å; R1086-V1152 HydrophobicContact CB-CG1 4.16Å; R1086-V1152 WeakPolarHBondContact CD-O 3.47Å; R1086-V1152 HydrophobicContact CG-CB 4.07Å; R1086-V1152 HydrophobicContact CG-CG1 4.1Å; R1086-V1152 WeakPolarHBondContact CG-O 3.32Å; R1086-V1152 PolarHBondContact NE-O 3.26Å; Y1089-V1152 HydrophobicContact CD2-CG1 4.03Å; Y1089-V1152 HydrophobicContact CG-CG1 4.48Å; L1090-V1152 HydrophobicContact CD1-CG2 4.33Å; L1090-V1152 HydrophobicContact CD2-CG2 3.7Å; L1090-V1152 HydrophobicContact CG-CG2 3.9Å; Y1095-V1152 HydrophobicContact CD2-CG1 3.84Å; Y1095-V1152 HydrophobicContact CE2-CG1 3.9Å; L1098-V1152 HydrophobicContact CD1-CG2 3.73Å; L1149-V1152 PolarHBondContact O-N 3.4Å
1153	P	86.3	Confident	81.7	Confident	14 Å²	14	49 Å²	49	9%	0.091	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-75.1	135.8	173.9	30.9	-34.8	0	0	0	111.5	Y1089 Y1095 E1157 K1158 Y1161	Y1089-P1153 WeakPolarHBondContact CD2-O 3.48Å; Y1089-P1153 WeakPolarHBondContact CE2-O 3.49Å; Y1095-P1153 HydrophobicContact CE1-CG 4.49Å; Y1095-P1153 HydrophobicContact CE2-CG 4.17Å; Y1095-P1153 WeakPolarHBondContact OH-CG 3.23Å; P1153-E1157 WeakPolarHBondContact CA-OE2 3.5Å; P1153-E1157 HydrophobicContact CB-CB 3.73Å; P1153-K1158 HydrophobicContact CB-CG 4.12Å; P1153-K1158 HydrophobicContact CG-CG 4Å; P1153-Y1161 HydrophobicContact CB-CD2 4.35Å; P1153-Y1161 HydrophobicContact CB-CE2 4.13Å
1154	S	85.8	Confident	82.2	Confident	5 Å²	5	46.8 Å²	46.8	4%	0.035	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-62.2	170	165.7	59.9	0	0	0	0	112.4	E1085 M1156 E1157 K1158	E1085-S1154 WeakPolarHBondContact OE2-CB 3.36Å; S1154-M1156 PolarHBondContact O-N 2.76Å; S1154-E1157 WeakPolarHBondContact CB-OE2 3.28Å; S1154-E1157 PolarHBondContact N-OE2 2.95Å; S1154-E1157 PolarHBondContact O-N 3.04Å; S1154-E1157 WeakPolarHBondContact OG-CG 3.44Å; S1154-E1157 PolarHBondContact OG-N 3.4Å; S1154-E1157 PolarHBondContact OG-OE2 3.43Å; S1154-K1158 WeakPolarHBondContact O-CG 3.4Å; S1154-K1158 PolarHBondContact O-N 2.85Å
1155	R	83.5	Confident	82.1	Confident	107 Å²	107	51.8 Å²	51.8	40%	0.404	22%	0.224	S	C	.	.	H	α-helix	trans	-57.6	-38.2	174.7	-171.3	173.7	178.9	142.7	4.4	111.3	E1085 K1158 I1159	E1085-R1155 VanDerWaalsContact OE1-CB 3.3Å; E1085-R1155 WeakPolarHBondContact OE1-CB 3.43Å; E1085-R1155 WeakPolarHBondContact OE2-CB 3.03Å; E1085-R1155 PolarHBondContact OE2-N 3.43Å; R1155-K1158 PolarHBondContact O-N 2.79Å; R1155-I1159 WeakPolarHBondContact O-CG1 3.23Å; R1155-I1159 PolarHBondContact O-N 2.98Å
1156	M	80.5	Confident	81.6	Confident	10 Å²	10	51 Å²	51	5%	0.049	22%	0.223	C	C	.	.	H	α-helix	trans	-69.1	-44.6	177	-71.1	-50.7	-44.6	0	0	113.4	R927 S1154 K1158 I1159 Y1160	R927-M1156 VanDerWaalsContact NH1-CE 3.31Å; R927-M1156 PolarHBondContact NH1-SD 3.43Å; R927-M1156 PolarHBondContact NH2-SD 2.88Å; R927-M1156 VanDerWaalsContact NH2-SD 3.38Å; S1154-M1156 PolarHBondContact O-N 2.76Å; M1156-K1158 VanDerWaalsContact C-N 3.27Å; M1156-K1158 PolarHBondContact O-N 3.11Å; M1156-I1159 HydrophobicContact CE-CD1 4.17Å; M1156-I1159 PolarHBondContact O-N 2.84Å; M1156-I1159 VanDerWaalsContact O-N 3.12Å; M1156-I1159 HydrophobicContact SD-CD1 4.01Å; M1156-Y1160 HydrophobicContact CB-CE2 4.17Å; M1156-Y1160 HydrophobicContact CE-CE1 3.97Å; M1156-Y1160 VanDerWaalsContact O-CD2 3.23Å; M1156-Y1160 WeakPolarHBondContact O-CD2 3.41Å; M1156-Y1160 PolarHBondContact O-N 2.86Å
1157	E	84.7	Confident	80.6	Confident	44 Å²	44	54.3 Å²	54.3	21%	0.206	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-38	175.4	-73.4	162.1	144.2	0	0	111.3	R1086 P1153 S1154 I1159 Y1160 Y1161	R1086-E1157 IonicContact CZ-OE2 3.56Å; R1086-E1157 IonicContact NE-OE2 3.66Å; R1086-E1157 IonicContact NH2-OE1 2.78Å; R1086-E1157 PolarHBondContact NH2-OE1 2.94Å; R1086-E1157 IonicContact NH2-OE2 3.52Å; R1086-E1157 PolarHBondContact NH2-OE2 2.81Å; P1153-E1157 WeakPolarHBondContact CA-OE2 3.5Å; P1153-E1157 HydrophobicContact CB-CB 3.73Å; S1154-E1157 WeakPolarHBondContact CB-OE2 3.28Å; S1154-E1157 PolarHBondContact N-OE2 2.95Å; S1154-E1157 PolarHBondContact O-N 3.04Å; S1154-E1157 WeakPolarHBondContact OG-CG 3.44Å; S1154-E1157 PolarHBondContact OG-N 3.4Å; S1154-E1157 PolarHBondContact OG-OE2 3.43Å; E1157-I1159 PolarHBondContact O-N 2.88Å; E1157-Y1160 PolarHBondContact O-N 3.47Å; E1157-Y1161 HydrophobicContact CB-CD2 4.38Å; E1157-Y1161 HydrophobicContact CB-CE2 3.72Å; E1157-Y1161 HydrophobicContact CG-CE2 4.48Å; E1157-Y1161 WeakPolarHBondContact O-CD2 3.42Å; E1157-Y1161 PolarHBondContact O-N 2.9Å
1158	K	84.2	Confident	79.3	Confident	50 Å²	50	57 Å²	57	22%	0.217	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-39.7	172.5	-72.2	175.6	177.1	-177.3	0	113.1	Y1089 Y1095 P1153 S1154 R1155 M1156 Y1161 R1162	Y1089-K1158 VanDerWaalsContact CD2-NZ 3.31Å; Y1089-K1158 VanDerWaalsContact CE1-NZ 3.31Å; Y1089-K1158 HydrophobicContact CE2-CD 4.1Å; Y1095-K1158 VanDerWaalsContact OH-CE 3.23Å; Y1095-K1158 WeakPolarHBondContact OH-CE 3.27Å; P1153-K1158 HydrophobicContact CB-CG 4.12Å; P1153-K1158 HydrophobicContact CG-CG 4Å; S1154-K1158 WeakPolarHBondContact O-CG 3.4Å; S1154-K1158 PolarHBondContact O-N 2.85Å; R1155-K1158 PolarHBondContact O-N 2.79Å; M1156-K1158 VanDerWaalsContact C-N 3.27Å; M1156-K1158 PolarHBondContact O-N 3.11Å; K1158-Y1161 CarbonylContact O-C 3.6Å; K1158-Y1161 PolarHBondContact O-N 3.31Å; K1158-R1162 PolarHBondContact O-N 2.8Å
1159	I	79.9	Confident	77.5	Confident	55 Å²	55	60.9 Å²	60.9	28%	0.282	29%	0.287	S	S	.	.	H	α-helix	trans	-64.7	-42.3	175.3	-67.2	162.2	0	0	0	110.5	K868 R1155 M1156 E1157 Y1161 R1162	K868-I1159 PolarHBondContact NZ-O 2.69Å; R1155-I1159 WeakPolarHBondContact O-CG1 3.23Å; R1155-I1159 PolarHBondContact O-N 2.98Å; M1156-I1159 HydrophobicContact CE-CD1 4.17Å; M1156-I1159 PolarHBondContact O-N 2.84Å; M1156-I1159 VanDerWaalsContact O-N 3.12Å; M1156-I1159 HydrophobicContact SD-CD1 4.01Å; E1157-I1159 PolarHBondContact O-N 2.88Å; I1159-Y1161 VanDerWaalsContact C-N 3.27Å; I1159-Y1161 PolarHBondContact O-N 3.14Å; I1159-R1162 PolarHBondContact O-N 2.81Å
1160	Y	81.3	Confident	75.5	Confident	69 Å²	69	62.8 Å²	62.8	27%	0.271	30%	0.299	S	S	.	.	H	α-helix	trans	-62.2	-34.3	175.2	-55.7	-37.6	0	0	0	112.4	K868 S871 L872 T873 M1156 E1157	K868-Y1160 PolarHBondContact NZ-O 2.94Å; S871-Y1160 WeakPolarHBondContact O-CE1 3.44Å; L872-Y1160 HydrophobicContact CB-CD1 3.75Å; L872-Y1160 HydrophobicContact CB-CG 4.19Å; T873-Y1160 HydrophobicContact CG2-CD1 4.26Å; T873-Y1160 HydrophobicContact CG2-CE1 3.8Å; M1156-Y1160 HydrophobicContact CB-CE2 4.17Å; M1156-Y1160 HydrophobicContact CE-CE1 3.97Å; M1156-Y1160 VanDerWaalsContact O-CD2 3.23Å; M1156-Y1160 WeakPolarHBondContact O-CD2 3.41Å; M1156-Y1160 PolarHBondContact O-N 2.86Å; E1157-Y1160 PolarHBondContact O-N 3.47Å
1161	Y	83.6	Confident	73.4	Confident	34 Å²	34	65.6 Å²	65.6	13%	0.133	32%	0.321	C	S	.	.	H	α-helix	trans	-93.2	-11.3	-178.6	-49.8	-27.6	0	0	0	115.1	V831 S851 P853 P1153 E1157 K1158 I1159 E1163	V831-Y1161 HydrophobicContact CG1-CE1 3.88Å; V831-Y1161 HydrophobicContact CG2-CE1 4.21Å; V831-Y1161 HydrophobicContact CG2-CE2 4.23Å; S851-Y1161 WeakPolarHBondContact O-CA 3.46Å; S851-Y1161 WeakPolarHBondContact O-CD1 3.48Å; P853-Y1161 HydrophobicContact CG-CD2 3.45Å; P853-Y1161 VanDerWaalsContact CG-CD2 3.45Å; P853-Y1161 HydrophobicContact CG-CE2 3.85Å; P853-Y1161 HydrophobicContact CG-CG 4.01Å; P1153-Y1161 HydrophobicContact CB-CD2 4.35Å; P1153-Y1161 HydrophobicContact CB-CE2 4.13Å; E1157-Y1161 HydrophobicContact CB-CD2 4.38Å; E1157-Y1161 HydrophobicContact CB-CE2 3.72Å; E1157-Y1161 HydrophobicContact CG-CE2 4.48Å; E1157-Y1161 WeakPolarHBondContact O-CD2 3.42Å; E1157-Y1161 PolarHBondContact O-N 2.9Å; K1158-Y1161 CarbonylContact O-C 3.6Å; K1158-Y1161 PolarHBondContact O-N 3.31Å; I1159-Y1161 VanDerWaalsContact C-N 3.27Å; I1159-Y1161 PolarHBondContact O-N 3.14Å; Y1161-E1163 PolarHBondContact O-N 3.44Å
1162	R	81.9	Confident	71.1	Confident	145 Å²	145	69 Å²	69	55%	0.547	35%	0.35	S	S	.	.			trans	-54.2	120.3	174.7	167	173.3	162.6	174.4	-6.3	109.8	K868 K1158 I1159 L1164	K868-R1162 WeakPolarHBondContact CE-O 3.31Å; K868-R1162 PolarHBondContact NZ-O 3.12Å; K1158-R1162 PolarHBondContact O-N 2.8Å; I1159-R1162 PolarHBondContact O-N 2.81Å; R1162-L1164 HydrophobicContact CG-CD2 4.25Å
1163	E	80.5	Confident	68.8	Low	95 Å²	95	72.4 Å²	72.4	44%	0.444	37%	0.366	S	S	.	.			trans	-65	147.4	170.4	-63.2	-172.2	152.3	0	0	110.1	K863 Y865 Y1161	K863-E1163 IonicContact NZ-OE1 3.93Å; K863-E1163 PolarHBondContact NZ-OE1 3.14Å; K863-E1163 IonicContact NZ-OE2 2.69Å; K863-E1163 PolarHBondContact NZ-OE2 3.09Å; Y865-E1163 VanDerWaalsContact CE1-OE1 3.3Å; Y865-E1163 WeakPolarHBondContact CE1-OE1 3.26Å; Y1161-E1163 PolarHBondContact O-N 3.44Å
1164	L	77.6	Confident	66.6	Low	39 Å²	39	75.8 Å²	75.8	20%	0.204	38%	0.383	C	S	.	.			trans	-121.4	138.7	175.1	-61	176.8	0	0	0	108.8	A866 K868 L875 R1162	A866-L1164 HydrophobicContact CB-CB 4.17Å; A866-L1164 VanDerWaalsContact CB-O 3.25Å; A866-L1164 WeakPolarHBondContact CB-O 3.37Å; K868-L1164 HydrophobicContact CD-CD1 4.4Å; K868-L1164 HydrophobicContact CG-CD1 4.16Å; L875-L1164 HydrophobicContact CB-CD1 4.06Å; L875-L1164 HydrophobicContact CD1-CB 4.04Å; L875-L1164 HydrophobicContact CD1-CD1 4.17Å; L875-L1164 HydrophobicContact CG-CD1 4.2Å; R1162-L1164 HydrophobicContact CG-CD2 4.25Å
1165	R	71.1	Confident	64.2	Low	198 Å²	198	83.9 Å²	83.9	75%	0.747	42%	0.418	S	S	*	.			trans	-67.2	132.2	175	-72	-172.2	-99.2	-149.2	-5.2	109
1166	P	64.4	Low	61.8	Low	34 Å²	34	85.8 Å²	85.8	22%	0.221	43%	0.431	C	S	.	.			trans	-67.4	134.5	178.9	27.3	-33.7	0	0	0	110.7	A866 S1168 T1169	A866-P1166 HydrophobicContact CB-CB 4.22Å; P1166-S1168 PolarHBondContact O-N 3.27Å; P1166-T1169 HydrophobicContact CG-CG2 4.34Å
1167	L	57	Low	59.4	Low	158 Å²	158	88.3 Å²	88.3	83%	0.827	45%	0.45	S	S	*	.	S	Bend	trans	-63.3	-13.9	-174.5	-134	75.1	0	0	0	114.3	L875	L875-L1167 HydrophobicContact CD1-CD1 4.28Å
1168	S	52.1	Low	56.9	Low	61 Å²	61	91.1 Å²	91.1	43%	0.427	47%	0.466	S	S	.	.			trans	-148.9	115.7	167.9	43.2	0	0	0	0	109.7	N781 P1166	N781-S1168 PolarHBondContact ND2-OG 3.16Å; P1166-S1168 PolarHBondContact O-N 3.27Å
1169	T	47.3	Very low	54.5	Low	83 Å²	83	95 Å²	95	51%	0.509	49%	0.488	S	S	.	.			trans	-74.7	130.4	159.1	43.8	0	0	0	0	108.5	P1166	P1166-T1169 HydrophobicContact CG-CG2 4.34Å
1170	P	44.1	Very low	52.1	Low	42 Å²	42	99 Å²	99	27%	0.273	51%	0.51	S	S	.	.			trans	-57.8	132.9	176.9	-24.3	34.1	0	0	0	111	W864 A1172	W864-P1170 HydrophobicContact CZ2-CG 4.38Å; P1170-A1172 PolarHBondContact O-N 3.43Å
1171	P	40	Very low	49.6	Very low	124 Å²	124	102.4 Å²	102.4	81%	0.805	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	4.5	-169.7	26.4	-35.2	0	0	0	115.5
1172	A	39.7	Very low	47.2	Very low	80 Å²	80	106.2 Å²	106.2	66%	0.661	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-41.9	179.1	0	0	0	0	0	113.5	P1170	P1170-A1172 PolarHBondContact O-N 3.43Å
1173	E	40.1	Very low	44.6	Very low	73 Å²	73	103.2 Å²	103.2	34%	0.341	57%	0.565	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.1	-17.3	-166	-71.9	169.9	176.5	0	0	113.7	R778 W864 K1175 Q1176 S1177	R778-E1173 IonicContact NH2-OE1 3.77Å; R778-E1173 PolarHBondContact NH2-OE1 3.34Å; W864-E1173 PolarHBondContact NE1-OE2 3.09Å; E1173-K1175 PolarHBondContact O-N 3.46Å; E1173-K1175 VanDerWaalsContact O-N 3.11Å; E1173-Q1176 PolarHBondContact O-N 3.37Å; E1173-S1177 PolarHBondContact O-N 3.05Å
1174	I	39.3	Very low	42.2	Very low	85 Å²	85	107.3 Å²	107.3	44%	0.436	58%	0.581	S	S	.	*	H	α-helix	trans	-60.4	-24.4	179.1	-61	175.4	0	0	0	112.3	S1177 N1178	I1174-S1177 PolarHBondContact O-OG 2.78Å; I1174-N1178 PolarHBondContact O-ND2 2.84Å
1175	K	35.9	Very low	39.9	Very low	176 Å²	176	112.4 Å²	112.4	77%	0.765	61%	0.614	S	S	*	*	H	α-helix	trans	-75.4	-22.9	174.7	-75	-172.1	174.6	-177.2	0	114	E1173	E1173-K1175 PolarHBondContact O-N 3.46Å; E1173-K1175 VanDerWaalsContact O-N 3.11Å
1176	Q	32.1	Very low	37.7	Very low	146 Å²	146	106.7 Å²	106.7	68%	0.682	62%	0.616	S	S	*	*	H	α-helix	trans	-89.3	-39	178.5	-77.2	-177	-22.7	0	0	112.4	E1173 N1178 L1179 L1180	E1173-Q1176 PolarHBondContact O-N 3.37Å; Q1176-N1178 VanDerWaalsContact C-N 3.28Å; Q1176-N1178 PolarHBondContact O-N 3.14Å; Q1176-L1179 PolarHBondContact O-N 3.18Å; Q1176-L1180 PolarHBondContact O-N 2.93Å
1177	S	31.4	Very low	35.9	Very low	64 Å²	64	108.7 Å²	108.7	45%	0.448	64%	0.643	S	S	.	*	H	α-helix	trans	-59.1	-39.8	177.6	57.3	0	0	0	0	112.6	E1173 I1174	E1173-S1177 PolarHBondContact O-N 3.05Å; I1174-S1177 PolarHBondContact O-OG 2.78Å
1178	N	32.5	Very low	34.5	Very low	102 Å²	102	107.6 Å²	107.6	55%	0.545	64%	0.642	S	S	.	*	H	α-helix	trans	-77.1	-20.5	-179.3	-67.8	-15.4	0	0	0	113.5	I1174 Q1176	I1174-N1178 PolarHBondContact O-ND2 2.84Å; Q1176-N1178 VanDerWaalsContact C-N 3.28Å; Q1176-N1178 PolarHBondContact O-N 3.14Å
1179	L	32.7	Very low	33.2	Very low	131 Å²	131	111.6 Å²	111.6	69%	0.686	65%	0.654	S	S	*	*	H	α-helix	trans	-82.6	-27.7	176	-140.4	83.7	0	0	0	112.5	Q1176 T1182	Q1176-L1179 PolarHBondContact O-N 3.18Å; L1179-T1182 PolarHBondContact O-OG1 3.33Å
1180	L	30.1	Very low	32	Very low	139 Å²	139	117.3 Å²	117.3	73%	0.728	67%	0.673	S	S	*	*	H	α-helix	trans	-81.4	-18.4	-179.6	-125.4	163	0	0	0	112.9	Q1176	Q1176-L1180 PolarHBondContact O-N 2.93Å
1181	L	29.3	Very low	31	Very low	142 Å²	142	123.2 Å²	123.2	74%	0.743	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.6	-25.8	176.3	-94.3	160.7	0	0	0	113.8
1182	T	31.5	Very low	30.2	Very low	113 Å²	113	123 Å²	123	69%	0.693	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-14.6	-179.6	49.8	0	0	0	0	113.9	L1179 K1184	L1179-T1182 PolarHBondContact O-OG1 3.33Å; T1182-K1184 PolarHBondContact O-N 3.43Å
1183	A	27.7	Very low	29.5	Very low	82 Å²	82	125.2 Å²	125.2	68%	0.678	69%	0.694	S	S	*	*	S	Bend	trans	-88.5	13.9	-172.1	0	0	0	0	0	115.5
1184	K	30.5	Very low	28.9	Very low	182 Å²	182	128.2 Å²	128.2	79%	0.791	72%	0.718	S	S	*	*			trans	-122.1	53.9	-170.8	-150.3	172.5	-171.7	177.3	0	115.2	T1182	T1182-K1184 PolarHBondContact O-N 3.43Å
1185	V	28.8	Very low	28.4	Very low	146 Å²	146	131 Å²	131	89%	0.885	73%	0.734	S	S	*	*	S	Bend	trans	-110.5	107.7	166.5	-179.5	0	0	0	0	108.9
1186	G	25.9	Very low	27.9	Very low	77 Å²	77	125.8 Å²	125.8	79%	0.794	73%	0.73	S	S	*	*	S	Bend	trans	89.8	133.9	-177.5	0	0	0	0	0	113.9
1187	G	25.8	Very low	27.6	Very low	76 Å²	76	125.6 Å²	125.6	78%	0.784	72%	0.724	S	S	*	*			trans	130.9	104.2	175	0	0	0	0	0	114.6
1188	V	27.8	Very low	27.3	Very low	135 Å²	135	132.1 Å²	132.1	82%	0.818	75%	0.747	S	S	*	*			trans	-60.4	137.5	176.7	171.8	0	0	0	0	112.8
1189	Q	24.3	Very low	26.9	Very low	145 Å²	145	132.2 Å²	132.2	68%	0.678	76%	0.756	S	S	*	*			trans	-166.3	125.2	131.5	-110.6	177	17.1	0	0	112.1	Y1191	Q1189-Y1191 HydrophobicContact CB-CD2 4.43Å; Q1189-Y1191 HydrophobicContact CB-CE2 3.94Å; Q1189-Y1191 HydrophobicContact CG-CE2 4.28Å; Q1189-Y1191 PolarHBondContact OE1-OH 3.13Å
1190	F	22	Very low	26.5	Very low	203 Å²	203	133 Å²	133	89%	0.89	76%	0.761	S	S	*	*			trans	-85.4	125.2	168.6	-81.1	-96	0	0	0	109.8
1191	Y	23.2	Very low	26.2	Very low	166 Å²	166	130.8 Å²	130.8	65%	0.651	75%	0.753	S	S	*	*			trans	-119	144.8	159.3	-70.5	-85	0	0	0	108.5	Q1189 V1193	Q1189-Y1191 HydrophobicContact CB-CD2 4.43Å; Q1189-Y1191 HydrophobicContact CB-CE2 3.94Å; Q1189-Y1191 HydrophobicContact CG-CE2 4.28Å; Q1189-Y1191 PolarHBondContact OE1-OH 3.13Å; Y1191-V1193 PolarHBondContact O-N 3Å; Y1191-V1193 VanDerWaalsContact O-N 3.08Å
1192	P	24	Very low	26	Very low	121 Å²	121	136.2 Å²	136.2	79%	0.786	77%	0.774	S	S	*	*			trans	-67.2	110.9	-175.4	26.5	-33.9	0	0	0	110.8	T1194	P1192-T1194 PolarHBondContact O-N 2.64Å; P1192-T1194 VanDerWaalsContact O-N 3.09Å
1193	V	24.9	Very low	25.7	Very low	125 Å²	125	137.4 Å²	137.4	76%	0.758	78%	0.778	S	S	*	*			trans	-67.3	107.7	174.9	176.2	0	0	0	0	109	Y1191 N1195	Y1191-V1193 PolarHBondContact O-N 3Å; Y1191-V1193 VanDerWaalsContact O-N 3.08Å; V1193-N1195 PolarHBondContact O-N 2.69Å
1194	T	27	Very low	25.6	Very low	136 Å²	136	140.3 Å²	140.3	83%	0.834	78%	0.784	S	S	*	*			trans	-74.2	76	172	54.1	0	0	0	0	110.8	P1192	P1192-T1194 PolarHBondContact O-N 2.64Å; P1192-T1194 VanDerWaalsContact O-N 3.09Å
1195	N	29.4	Very low	25.3	Very low	145 Å²	145	138 Å²	138	78%	0.775	78%	0.783	S	S	*	*			trans	40.2	84.6	161.7	-68.6	-17.2	0	0	0	118	V1193	V1193-N1195 PolarHBondContact O-N 2.69Å
1196	G	25.5	Very low	25.1	Very low	66 Å²	66	137.5 Å²	137.5	68%	0.68	78%	0.777	S	S	*	*				63.1	74	118.9	0	0	0	0	0	117.7
1197	Y	25.8	Very low	25.1	Very low	142 Å²	142	141.3 Å²	141.3	56%	0.557	78%	0.776	S	S	*	*			trans	-136.4	39.1	169	-100.2	-71.2	0	0	0	113.9	P1096 S1097	P1096-Y1197 WeakPolarHBondContact CB-OH 3.31Å; P1096-Y1197 WeakPolarHBondContact CD-OH 3.34Å; P1096-Y1197 HydrophobicContact CG-CE1 4.3Å; S1097-Y1197 PolarHBondContact N-OH 3.01Å
1198	Q	23.9	Very low	25	Very low	201 Å²	201	145.7 Å²	145.7	94%	0.939	78%	0.776	S	S	*	*			trans	-147.2	96.8	169.5	-113.9	169.4	-14.9	0	0	110.8
1199	S	25.5	Very low	24.8	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	77%	0.773	S	S	*	*			trans	-171.5	116.7	176.6	56.5	0	0	0	0	107.4
1200	N	24.3	Very low	24.9	Very low	148 Å²	148	146.5 Å²	146.5	79%	0.791	78%	0.78	S	S	*	*			cis	-128.2	157.4	-0.2	-64.3	-15.4	0	0	0	110
1201	V	22.3	Very low	25.1	Very low	91 Å²	91	141.8 Å²	141.8	55%	0.552	77%	0.771	S	S	*	*			trans	-137.6	98.9	153.9	-178.1	0	0	0	0	106.3	E1022	E1022-V1201 HydrophobicContact CB-CG1 4.36Å; E1022-V1201 HydrophobicContact CG-CG1 4.31Å; E1022-V1201 HydrophobicContact CG-CG2 4.47Å
1202	E	25.4	Very low	25.3	Very low	257 Å²	257	139.6 Å²	139.6	100%	1.201	78%	0.782	S	S	*	*			trans	-131.5	0	156.9	-79	-170.5	137.1	0	0	106

Retrieved 1,202 of 1,202 residues in 621.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).