A0A087YA88_POEFO Loading...

DNA polymerase subunit gamma-1

AlphaFold DB , UniProt , Accession A0A087YA88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,195 aa.

						>A0A087YA88_POEFO|A0A087YA88
MLHLSRCPLKRTFVSLRWRRLKSFYSTKPCSQQGEDSTETRLNPLNIQMLSRNLHEQIFRGIEPEYREEAVERSIRHLQNHNLWGKETSLLPDVDLKLPRMFGKNIDDHFRILAEKQSLPYLEAASKLQQADPPPMPQEWSWEVGWTRYGPGGESQKVDFPDESALVFDVEVCTTEGQCPTLAVALSPTNWYSWCSKRLIEERYSWSNQLTLADLIPLETPFNSSRPPGGQWKERLIVGHNVSFDRSFIKEQYLLKGPNTRFMDTMSLHMAISGLTAFQRTLWMANKLGKKRGLQEVKEHIKKAGQKREGPMIGSWAWVDMSSINNLADVHALYVGGPPLQKEARDIFVKGTMADVRNNFQELMQYCALDVEATQQVFTEQLPLFMERCPHPVTFAGMLEMGVSYLPVNQNWDRYLEDSQDVYEELEREMKKSLMILADDACQLLQDDRYKEDPWLWDLEWDVQEFKQKKVAASKKKNSKNAAVAKTSTLLPDWEDDPGPPSEEEMAGPCSSRLAVEKLKETVSRLPKRRQHLPGHPAWYRKLCEKMSEDSWSPGASLISLQMRLTPKLMGLTWDGFPLHYTEKHGWGYLVPGRRDNLNPQEENLESLCPHRVIERIYKEYCEQNSKEQPEHLNPSDEPVWTDSTVWTKVEELSSLEHFPEENGARVVKNEKKLTTQSHDPFSLSEESRCHYHHGNGPYNDVDIPGCWFFKLPHKDGNHNNVGSPFSKDFLAKMEDGTLRAGRGGTNATRALEINKMMSFWRNAHKRISSQMVLWLRKGELPRNVSRHKDYDEEGQYGAILPQVITAGTVTRRAVEPTWLTASNARRDRVGSEMKAMVQVPPGYHLVGADVDSQELWIAAVLGEAHFAGMHGCTAFGWMTLQGKKSQGTDLHSRTADAVGISREHAKVFNYGRIYGAGQPFAERLLMQFNHRLNQTEAASKARQMYALTKGVRRYHLSEEGEWLVDELGIDVQREEDGSVSLEELRRISRLASQSSRRKKWDVVAKRVWAGGTESDMFNKLESIAHSAQPATPVLGCRISRALEPKAVKDEFITSRVNWAVQSSAVDYLHLMLVAMKWLFEEYNIDGRFCVSIHDEVRYLVRSEDRYRAALALQITNLLTRCMFAHALGMQDLPQSVAFFSAVDIDQCLRKEVTMDCVTPSNPTGMERRYGIPPGEALDMNQILSITKGSLSKGR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.7	Very low	27.8	Very low	242 Å²	242	175.6 Å²	175.6	100%	1.192	87%	0.867	S	S	*	*				0	114.2	0	-77.8	-175.6	-167	0	0	109
2	L	27.7	Very low	27.5	Very low	164 Å²	164	171.8 Å²	171.8	86%	0.859	86%	0.861	S	S	*	*			trans	39.3	99.9	154.7	-66.9	160.6	0	0	0	121.8
3	H	25.5	Very low	27	Very low	170 Å²	170	174 Å²	174	79%	0.787	86%	0.862	S	S	*	*				31.3	116.7	115.1	-93.1	-56.9	0	0	0	120.4
4	L	26.2	Very low	26.9	Very low	149 Å²	149	169.4 Å²	169.4	78%	0.78	85%	0.848	S	S	*	*				151	119.9	111.5	-89.1	151.9	0	0	0	113
5	S	25.2	Very low	26.6	Very low	99 Å²	99	165.3 Å²	165.3	69%	0.692	84%	0.842	S	S	*	*			trans	55.4	121.3	131.7	-52.7	0	0	0	0	121.6
6	R	29.1	Very low	26.5	Very low	254 Å²	254	164.9 Å²	164.9	96%	0.958	84%	0.841	S	S	*	*				-165.4	126.3	113.3	-104.2	168.7	-176.3	-163.8	1.4	113.8
7	C	27.3	Very low	26.2	Very low	123 Å²	123	168.5 Å²	168.5	83%	0.831	84%	0.842	S	S	*	*			trans	-61.1	-177.7	169.8	-109.4	0	0	0	0	113.8
8	P	38.1	Very low	26.1	Very low	109 Å²	109	172.2 Å²	172.2	71%	0.708	85%	0.845	S	S	*	*			cis	-136.5	157.9	3.4	31.4	-10.9	0	0	0	115.7
9	L	29.4	Very low	25.9	Very low	180 Å²	180	176.1 Å²	176.1	94%	0.942	85%	0.849	S	S	*	*			trans	-158.5	133.3	145.9	-101	152.2	0	0	0	109.6
10	K	25	Very low	25.7	Very low	208 Å²	208	177.5 Å²	177.5	90%	0.904	85%	0.845	S	S	*	*			trans	-77.6	121.2	-150.7	-71.6	170	172.1	174.9	0	114.5
11	R	23.7	Very low	25.7	Very low	234 Å²	234	177.6 Å²	177.6	88%	0.883	85%	0.85	S	S	*	*			trans	-101.7	134.9	150.1	-89.7	-179.6	171.4	175	-2.6	108.5
12	T	23.8	Very low	25.5	Very low	130 Å²	130	173.9 Å²	173.9	80%	0.798	83%	0.827	S	S	*	*			trans	-114.2	106.1	162.7	33	0	0	0	0	109
13	F	21.3	Very low	25.3	Very low	200 Å²	200	170 Å²	170	88%	0.877	81%	0.814	S	S	*	*			trans	-78.2	129.1	148.1	-101.2	-91.9	0	0	0	107
14	V	25.5	Very low	25.2	Very low	109 Å²	109	171.8 Å²	171.8	66%	0.661	82%	0.82	S	S	*	*			trans	-117.7	105.3	162.6	176.2	0	0	0	0	107.8	L16	V14-L16 HydrophobicContact CG1-CD1 3.89Å; V14-L16 HydrophobicContact CG1-CG 4.1Å
15	S	22.1	Very low	25.2	Very low	108 Å²	108	173.9 Å²	173.9	76%	0.755	82%	0.819	S	S	*	*			trans	-63.4	137.5	150.4	57.7	0	0	0	0	109.6
16	L	25.1	Very low	25.2	Very low	159 Å²	159	174.3 Å²	174.3	83%	0.832	82%	0.821	S	S	*	*			trans	-131.1	101.6	159.3	-100.2	155.2	0	0	0	110.9	V14	V14-L16 HydrophobicContact CG1-CD1 3.89Å; V14-L16 HydrophobicContact CG1-CG 4.1Å
17	R	22.2	Very low	25.3	Very low	226 Å²	226	167.9 Å²	167.9	85%	0.853	81%	0.81	S	S	*	*			trans	-49.7	132.2	154.2	-94.5	173	162.3	178.1	-4.6	110.8
18	W	23.4	Very low	25.2	Very low	235 Å²	235	170.8 Å²	170.8	89%	0.89	81%	0.809	S	S	*	*				24.3	109.9	121.1	-74.5	69.9	0	0	0	118.3
19	R	22.9	Very low	24.7	Very low	246 Å²	246	171.6 Å²	171.6	93%	0.928	81%	0.814	S	S	*	*			trans	-146.3	104.1	135.4	-82.5	-170.9	-170.1	-148.1	1.4	108
20	R	22.6	Very low	24.5	Very low	205 Å²	205	169.1 Å²	169.1	77%	0.774	81%	0.81	S	S	*	*				58	104.5	103.6	-86	-170	-178.3	-171.5	1.3	114.3
21	L	24.6	Very low	24.6	Very low	180 Å²	180	163.2 Å²	163.2	94%	0.942	80%	0.795	S	S	*	*				-132.1	117.1	128.8	-102.8	128.3	0	0	0	108.6	S23	L21-S23 PolarHBondContact O-N 3.49Å
22	K	24.1	Very low	25.2	Very low	163 Å²	163	161.5 Å²	161.5	71%	0.709	80%	0.797	S	S	*	*			trans	-50.2	125.2	172.3	-68.7	165.2	166.6	-177.3	0	108.5
23	S	23.4	Very low	25.4	Very low	84 Å²	84	163.8 Å²	163.8	59%	0.587	80%	0.799	S	S	*	*				35.2	92.4	86.3	-174.9	0	0	0	0	112.6	L21 Y25	L21-S23 PolarHBondContact O-N 3.49Å; S23-Y25 WeakPolarHBondContact OG-CD2 3.48Å; S23-Y25 WeakPolarHBondContact OG-CE2 3.38Å
24	F	24.8	Very low	26.1	Very low	207 Å²	207	157.9 Å²	157.9	91%	0.908	79%	0.794	S	S	*	*			trans	-108	114.1	139	-90.2	-82.4	0	0	0	107
25	Y	26.6	Very low	26.2	Very low	193 Å²	193	161.7 Å²	161.7	76%	0.757	81%	0.805	S	S	*	*			trans	-56.9	130.9	164.7	-82.8	-101.8	0	0	0	109.4	S23 T27	S23-Y25 WeakPolarHBondContact OG-CD2 3.48Å; S23-Y25 WeakPolarHBondContact OG-CE2 3.38Å; Y25-T27 HydrophobicContact CD1-CG2 4.23Å
26	S	24.1	Very low	26.9	Very low	107 Å²	107	164.2 Å²	164.2	75%	0.748	81%	0.81	S	S	*	*			trans	-131.2	86.4	146.4	180	0	0	0	0	107.6	K28	S26-K28 PolarHBondContact O-N 3.27Å
27	T	31	Very low	27.5	Very low	119 Å²	119	160 Å²	160	73%	0.73	79%	0.794	S	S	*	*			trans	-62.4	109.9	159	40.5	0	0	0	0	108.7	Y25	Y25-T27 HydrophobicContact CD1-CG2 4.23Å
28	K	25.2	Very low	28.9	Very low	185 Å²	185	155.1 Å²	155.1	80%	0.804	79%	0.79	S	S	*	*			trans	-118.4	122.6	144.9	-80.9	-170.9	176.9	-177.6	0	107.4	S26 C30	S26-K28 PolarHBondContact O-N 3.27Å; K28-C30 PolarHBondContact O-N 3.29Å
29	P	28.4	Very low	30.9	Very low	126 Å²	126	151.3 Å²	151.3	82%	0.818	78%	0.781	S	S	*	*			trans	-72.9	114.4	174.9	29.9	-27.7	0	0	0	106.9	S31	P29-S31 PolarHBondContact O-N 3.34Å
30	C	24.9	Very low	33.7	Very low	127 Å²	127	141.9 Å²	141.9	86%	0.858	75%	0.752	S	S	*	*			trans	-81.8	109.2	163.9	-155.5	0	0	0	0	106.7	K28	K28-C30 PolarHBondContact O-N 3.29Å
31	S	26.1	Very low	36.9	Very low	84 Å²	84	134.3 Å²	134.3	59%	0.587	72%	0.723	S	S	*	*			trans	-38.5	129.7	173.8	37	0	0	0	0	113.5	P29 Q33	P29-S31 PolarHBondContact O-N 3.34Å; S31-Q33 PolarHBondContact O-N 3.04Å
32	Q	37	Very low	40	Very low	198 Å²	198	129.7 Å²	129.7	93%	0.925	70%	0.699	S	S	*	*			trans	-57.3	112.1	146.7	-75.4	178.9	-32.5	0	0	108.5
33	Q	27.7	Very low	43.1	Very low	178 Å²	178	122.3 Å²	122.3	83%	0.832	67%	0.667	S	S	*	*			trans	-172.8	99.8	157.9	-99.4	168.6	4.8	0	0	101.6	S31	S31-Q33 PolarHBondContact O-N 3.04Å
34	G	37.3	Very low	46.1	Very low	76 Å²	76	120.8 Å²	120.8	78%	0.784	66%	0.655	S	S	*	*				85	70.3	62.9	0	0	0	0	0	108
35	E	27.4	Very low	49.1	Very low	190 Å²	190	111.1 Å²	111.1	89%	0.888	61%	0.613	S	S	*	*			trans	-158.6	86.3	158.6	-106.3	171.8	-156.4	0	0	106.7	S37	E35-S37 VanDerWaalsContact C-N 3.3Å; E35-S37 PolarHBondContact O-N 2.69Å
36	D	36.8	Very low	52.1	Low	161 Å²	161	105.8 Å²	105.8	86%	0.861	60%	0.598	S	S	*	*			trans	-63.6	93.5	162.3	-85.5	-34.5	0	0	0	107.3	T38	D36-T38 VanDerWaalsContact C-N 3.31Å; D36-T38 PolarHBondContact O-N 2.98Å; D36-T38 VanDerWaalsContact O-N 3.07Å
37	S	37.3	Very low	55.2	Low	69 Å²	69	100.8 Å²	100.8	48%	0.483	56%	0.562	S	S	.	*			trans	-75	91.6	162.6	64.4	0	0	0	0	107.5	E35 E39	E35-S37 VanDerWaalsContact C-N 3.3Å; E35-S37 PolarHBondContact O-N 2.69Å; S37-E39 PolarHBondContact O-N 3.5Å
38	T	51.6	Low	58.1	Low	125 Å²	125	95.7 Å²	95.7	77%	0.767	53%	0.53	S	S	*	.			trans	-69	51.4	167.8	53.2	0	0	0	0	110.7	D36	D36-T38 VanDerWaalsContact C-N 3.31Å; D36-T38 PolarHBondContact O-N 2.98Å; D36-T38 VanDerWaalsContact O-N 3.07Å
39	E	64.8	Low	61.3	Low	154 Å²	154	87 Å²	87	72%	0.72	49%	0.493	S	S	*	.			trans	-88.2	114.7	176.7	-75.6	-172.1	165.3	0	0	109.2	S37 R41	S37-E39 PolarHBondContact O-N 3.5Å; E39-R41 PolarHBondContact O-N 3.43Å
40	T	81.9	Confident	64.3	Low	49 Å²	49	81 Å²	81	30%	0.301	45%	0.454	S	S	.	.			trans	-54.6	125.2	173.6	-55.8	0	0	0	0	110.2	L42 Q48 L90	T40-L42 HydrophobicContact CG2-CD2 4.37Å; T40-L42 PolarHBondContact O-N 3.49Å; T40-Q48 HydrophobicContact CG2-CG 3.65Å; T40-L90 HydrophobicContact CG2-CD2 4.44Å
41	R	89.6	Confident	67.5	Low	45 Å²	45	75.3 Å²	75.3	17%	0.17	42%	0.415	C	S	.	.			trans	-70	116.5	179.6	-71.5	178.9	67.9	-114.9	-0.6	110.2	E39 M49 L50 D1132	E39-R41 PolarHBondContact O-N 3.43Å; R41-M49 HydrophobicContact CB-CB 4.34Å; R41-M49 PolarHBondContact O-N 3.34Å; R41-L50 WeakPolarHBondContact CD-O 3.28Å; R41-L50 PolarHBondContact NH1-O 2.98Å; R41-D1132 IonicContact CZ-OD2 2.78Å; R41-D1132 IonicContact NH1-OD1 3.32Å; R41-D1132 IonicContact NH1-OD2 3.22Å; R41-D1132 PolarHBondContact NH1-OD2 3.21Å; R41-D1132 IonicContact NH2-OD2 3.46Å; R41-D1132 PolarHBondContact NH2-OD2 3.49Å
42	L	89.4	Confident	70.4	Confident	84 Å²	84	77.9 Å²	77.9	44%	0.44	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-112.7	142.9	174.2	-59.7	179.3	0	0	0	110.4	T40 I47 Q48 L90	T40-L42 HydrophobicContact CG2-CD2 4.37Å; T40-L42 PolarHBondContact O-N 3.49Å; L42-I47 WeakPolarHBondContact CA-O 3.28Å; L42-Q48 HydrophobicContact CD2-CB 4.11Å; L42-L90 HydrophobicContact CD2-CD2 4.13Å
43	N	89.3	Confident	73	Confident	8 Å²	8	71.1 Å²	71.1	4%	0.043	38%	0.382	C	S	.	.			trans	-78.5	173.2	167.1	80.7	-8.1	0	0	0	111	L45 N46 I47 M49 H871	N43-L45 PolarHBondContact O-N 3.08Å; N43-L45 WeakPolarHBondContact OD1-CA 3.4Å; N43-L45 PolarHBondContact OD1-N 3.22Å; N43-N46 PolarHBondContact O-N 3.5Å; N43-N46 PolarHBondContact OD1-N 2.84Å; N43-I47 PolarHBondContact N-O 3.49Å; N43-I47 WeakPolarHBondContact OD1-CB 3.28Å; N43-I47 PolarHBondContact OD1-N 3.2Å; N43-M49 HydrophobicContact CB-CG 3.99Å; N43-M49 HydrophobicContact CB-SD 3.96Å; N43-H871 PolarHBondContact ND2-O 3.07Å; N43-H871 VanDerWaalsContact ND2-O 3.09Å
44	P	88.2	Confident	76	Confident	52 Å²	52	62.6 Å²	62.6	34%	0.338	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-11.6	178.2	-26.1	35.3	0	0	0	115.6	Y66 V71	P44-Y66 VanDerWaalsContact CD-CE2 3.41Å; P44-Y66 HydrophobicContact CG-CD2 3.41Å; P44-Y66 VanDerWaalsContact CG-CD2 3.41Å; P44-Y66 HydrophobicContact CG-CE2 3.89Å; P44-Y66 HydrophobicContact CG-CG 3.99Å; P44-V71 HydrophobicContact CB-CG1 3.8Å; P44-V71 HydrophobicContact CB-CG2 3.94Å; P44-V71 HydrophobicContact CG-CG2 4.19Å
45	L	87.8	Confident	78.6	Confident	3 Å²	3	59.3 Å²	59.3	2%	0.016	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	15.3	178.7	-55.1	178	0	0	0	112.5	N43 I47 I75 W84 C873	N43-L45 PolarHBondContact O-N 3.08Å; N43-L45 WeakPolarHBondContact OD1-CA 3.4Å; N43-L45 PolarHBondContact OD1-N 3.22Å; L45-I47 VanDerWaalsContact C-N 3.3Å; L45-I47 HydrophobicContact CB-CD1 4.36Å; L45-I47 HydrophobicContact CB-CG1 4.29Å; L45-I47 PolarHBondContact O-N 2.74Å; L45-I75 HydrophobicContact CD2-CG1 3.82Å; L45-W84 HydrophobicContact CB-CZ3 4.38Å; L45-W84 HydrophobicContact CD2-CZ3 4.02Å; L45-C873 HydrophobicContact CD1-CB 4.07Å
46	N	88.3	Confident	81.6	Confident	82 Å²	82	55.2 Å²	55.2	44%	0.439	29%	0.287	S	S	.	.	S	Bend	trans	59.8	34.7	-177.8	-59.3	-42.8	0	0	0	114	N43 Q882	N43-N46 PolarHBondContact O-N 3.5Å; N43-N46 PolarHBondContact OD1-N 2.84Å; N46-Q882 PolarHBondContact O-NE2 2.84Å
47	I	89.1	Confident	84.2	Confident	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-98	127.9	174	-53	-179.3	0	0	0	108.9	L42 N43 L45 M49 H871 G872 L881 P1134	L42-I47 WeakPolarHBondContact CA-O 3.28Å; N43-I47 PolarHBondContact N-O 3.49Å; N43-I47 WeakPolarHBondContact OD1-CB 3.28Å; N43-I47 PolarHBondContact OD1-N 3.2Å; L45-I47 VanDerWaalsContact C-N 3.3Å; L45-I47 HydrophobicContact CB-CD1 4.36Å; L45-I47 HydrophobicContact CB-CG1 4.29Å; L45-I47 PolarHBondContact O-N 2.74Å; I47-M49 HydrophobicContact CG2-SD 4.41Å; I47-M49 PolarHBondContact O-N 3.24Å; I47-H871 WeakPolarHBondContact CD1-O 3.4Å; I47-G872 VanDerWaalsContact CD1-CA 3.4Å; I47-L881 HydrophobicContact CD1-CD1 4.4Å; I47-P1134 HydrophobicContact CG2-CB 4.07Å; I47-P1134 HydrophobicContact CG2-CG 4.43Å
48	Q	91.5	Very high	86.8	Confident	12 Å²	12	47.4 Å²	47.4	6%	0.056	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-66.6	118	175.2	-175.3	177.1	12.1	0	0	110.9	T40 L42 L90 L91 D93 P1134 Q1135	T40-Q48 HydrophobicContact CG2-CG 3.65Å; L42-Q48 HydrophobicContact CD2-CB 4.11Å; Q48-L90 HydrophobicContact CB-CD2 4.44Å; Q48-L91 PolarHBondContact NE2-O 3.37Å; Q48-L91 PolarHBondContact OE1-O 2.92Å; Q48-D93 PolarHBondContact NE2-OD1 2.86Å; Q48-P1134 WeakPolarHBondContact O-CA 3.47Å; Q48-Q1135 HydrophobicContact CG-CB 4.03Å; Q48-Q1135 PolarHBondContact O-N 3.02Å
49	M	92.6	Very high	88.6	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.01	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-92.3	172.8	175.7	-55.1	-49.9	-67.3	0	0	110.2	R41 N43 I47 D1132 L1133 P1134 Q1135	R41-M49 HydrophobicContact CB-CB 4.34Å; R41-M49 PolarHBondContact O-N 3.34Å; N43-M49 HydrophobicContact CB-CG 3.99Å; N43-M49 HydrophobicContact CB-SD 3.96Å; I47-M49 HydrophobicContact CG2-SD 4.41Å; I47-M49 PolarHBondContact O-N 3.24Å; M49-D1132 HydrophobicContact CE-CB 3.56Å; M49-D1132 VanDerWaalsContact CE-CG 3.46Å; M49-L1133 VanDerWaalsContact CE-C 3.47Å; M49-L1133 WeakPolarHBondContact CE-O 3.34Å; M49-P1134 HydrophobicContact CE-CG 4.47Å; M49-Q1135 PolarHBondContact O-OE1 2.96Å
50	L	92.1	Very high	89.7	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-52.7	148.2	175.3	-70.8	178.9	0	0	0	112	R41 L54 H55 I58 F59 L1118 L1133 A1138	R41-L50 WeakPolarHBondContact CD-O 3.28Å; R41-L50 PolarHBondContact NH1-O 2.98Å; L50-L54 HydrophobicContact CB-CB 4.47Å; L50-L54 HydrophobicContact CD2-CD1 4.49Å; L50-H55 HydrophobicContact CB-CB 4.48Å; L50-I58 HydrophobicContact CD1-CD1 4.36Å; L50-F59 HydrophobicContact CD1-CE2 4.26Å; L50-L1118 HydrophobicContact CD1-CD1 4.1Å; L50-L1118 HydrophobicContact CD2-CD1 3.83Å; L50-L1133 HydrophobicContact CD1-CB 3.98Å; L50-L1133 HydrophobicContact CG-CB 4.09Å; L50-L1133 WeakPolarHBondContact CG-O 3.31Å; L50-L1133 PolarHBondContact N-O 3.13Å; L50-A1138 HydrophobicContact CD2-CB 3.59Å
51	S	91.3	Very high	89.2	Confident	7 Å²	7	40.4 Å²	40.4	5%	0.049	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-53.4	149.5	169.5	71.4	0	0	0	0	111.6	N53 L54 H55 V94	S51-N53 PolarHBondContact O-N 3.07Å; S51-L54 PolarHBondContact O-N 3.29Å; S51-L54 VanDerWaalsContact O-N 3.11Å; S51-L54 WeakPolarHBondContact OG-CG 3.47Å; S51-L54 PolarHBondContact OG-N 2.82Å; S51-H55 PolarHBondContact O-N 2.9Å; S51-V94 WeakPolarHBondContact CB-O 3.47Å; S51-V94 PolarHBondContact OG-O 3.32Å
52	R	88.4	Confident	88.9	Confident	139 Å²	139	42.9 Å²	42.9	53%	0.525	21%	0.213	S	C	.	.	H	α-helix	trans	-55.3	-41.1	-179.1	-172.7	176.3	-72.8	167.9	-0.2	111.7	L54 H55 E56	R52-L54 PolarHBondContact O-N 3.4Å; R52-H55 PolarHBondContact O-N 3.21Å; R52-E56 HydrophobicContact CG-CG 4.35Å; R52-E56 VanDerWaalsContact CG-OE1 3.3Å; R52-E56 WeakPolarHBondContact CG-OE1 3.38Å; R52-E56 WeakPolarHBondContact O-CB 3.3Å; R52-E56 WeakPolarHBondContact O-CG 3.34Å; R52-E56 PolarHBondContact O-N 3.45Å
53	N	90.1	Very high	88.3	Confident	55 Å²	55	46.1 Å²	46.1	29%	0.294	23%	0.226	S	C	.	.	H	α-helix	trans	-56.3	-45.2	176.6	174.9	-87.7	0	0	0	113.5	S51 Q57 D95 L96	S51-N53 PolarHBondContact O-N 3.07Å; N53-Q57 WeakPolarHBondContact O-CG 3.45Å; N53-Q57 PolarHBondContact O-N 3.3Å; N53-Q57 PolarHBondContact O-NE2 3.48Å; N53-Q57 PolarHBondContact OD1-NE2 2.99Å; N53-D95 PolarHBondContact ND2-OD1 3.12Å; N53-D95 PolarHBondContact OD1-OD1 3.11Å; N53-L96 PolarHBondContact OD1-N 3.05Å; N53-L96 PolarHBondContact OD1-O 3.39Å
54	L	91.2	Very high	87.9	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-76.6	-40.4	-179.4	-70.8	174.9	0	0	0	111.8	L50 S51 R52 E56 Q57 I58 V94 L96 L98 L1118 F1139	L50-L54 HydrophobicContact CB-CB 4.47Å; L50-L54 HydrophobicContact CD2-CD1 4.49Å; S51-L54 PolarHBondContact O-N 3.29Å; S51-L54 VanDerWaalsContact O-N 3.11Å; S51-L54 WeakPolarHBondContact OG-CG 3.47Å; S51-L54 PolarHBondContact OG-N 2.82Å; R52-L54 PolarHBondContact O-N 3.4Å; L54-E56 PolarHBondContact O-N 2.9Å; L54-Q57 PolarHBondContact O-N 3.04Å; L54-I58 WeakPolarHBondContact O-CG1 3.36Å; L54-I58 PolarHBondContact O-N 3.27Å; L54-V94 HydrophobicContact CD1-CB 4.32Å; L54-V94 HydrophobicContact CD1-CG1 4.34Å; L54-L96 HydrophobicContact CD2-CB 4.2Å; L54-L98 HydrophobicContact CD2-CD1 4.01Å; L54-L98 HydrophobicContact CD2-CD2 4.12Å; L54-L98 HydrophobicContact CD2-CG 3.94Å; L54-L1118 HydrophobicContact CD1-CD2 4.39Å; L54-L1118 HydrophobicContact CD2-CD2 4.25Å; L54-F1139 HydrophobicContact CD1-CE2 4.49Å; L54-F1139 HydrophobicContact CD1-CZ 3.92Å
55	H	92.1	Very high	87.6	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.028	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-45.3	178.4	-179.6	-90.8	0	0	0	111.7	L50 S51 R52 Q57 I58 F59 I62 Q1131 D1132	L50-H55 HydrophobicContact CB-CB 4.48Å; S51-H55 PolarHBondContact O-N 2.9Å; R52-H55 PolarHBondContact O-N 3.21Å; H55-Q57 VanDerWaalsContact C-N 3.31Å; H55-Q57 PolarHBondContact O-N 3.39Å; H55-I58 PolarHBondContact O-N 3.12Å; H55-F59 AromaticContact CD2-CD2 3.57Å; H55-F59 AromaticContact NE2-CD2 3.95Å; H55-F59 WeakPolarHBondContact O-CA 3.09Å; H55-F59 PolarHBondContact O-N 3.34Å; H55-I62 PolarHBondContact CE1-O 3.38Å; H55-I62 PolarHBondContact NE2-O 3.3Å; H55-Q1131 PolarHBondContact NE2-O 3.05Å; H55-Q1131 VanDerWaalsContact NE2-O 3.07Å; H55-D1132 IonicContact CD2-OD1 3.87Å; H55-D1132 PolarHBondContact CD2-OD1 3.22Å; H55-D1132 IonicContact CD2-OD2 3.57Å; H55-D1132 IonicContact NE2-OD2 3.44Å
56	E	89.9	Confident	87.5	Confident	105 Å²	105	57.3 Å²	57.3	49%	0.491	27%	0.274	S	S	.	.	H	α-helix	trans	-61.7	-36.2	176.4	-75	175.6	-172.3	0	0	112.8	R52 L54 R60	R52-E56 HydrophobicContact CG-CG 4.35Å; R52-E56 VanDerWaalsContact CG-OE1 3.3Å; R52-E56 WeakPolarHBondContact CG-OE1 3.38Å; R52-E56 WeakPolarHBondContact O-CB 3.3Å; R52-E56 WeakPolarHBondContact O-CG 3.34Å; R52-E56 PolarHBondContact O-N 3.45Å; L54-E56 PolarHBondContact O-N 2.9Å; E56-R60 WeakPolarHBondContact O-CA 3.46Å; E56-R60 PolarHBondContact O-N 2.84Å; E56-R60 VanDerWaalsContact O-N 3.1Å
57	Q	91.9	Very high	87.5	Confident	58 Å²	58	62.9 Å²	62.9	27%	0.271	29%	0.289	S	S	.	.	H	α-helix	trans	-75.1	-37.6	180	-72.6	176.1	82.4	0	0	113	N53 L54 H55 L96 L98	N53-Q57 WeakPolarHBondContact O-CG 3.45Å; N53-Q57 PolarHBondContact O-N 3.3Å; N53-Q57 PolarHBondContact O-NE2 3.48Å; N53-Q57 PolarHBondContact OD1-NE2 2.99Å; L54-Q57 PolarHBondContact O-N 3.04Å; H55-Q57 VanDerWaalsContact C-N 3.31Å; H55-Q57 PolarHBondContact O-N 3.39Å; Q57-L96 PolarHBondContact NE2-O 3.17Å; Q57-L98 HydrophobicContact CB-CD1 4.12Å
58	I	91.5	Very high	87.4	Confident	8 Å²	8	70.4 Å²	70.4	4%	0.041	32%	0.324	C	S	.	.	H	α-helix	trans	-86.9	-50.5	-175.7	-62.6	174.8	0	0	0	111.4	L50 L54 H55 L98 I106 L1118 L1119 C1122	L50-I58 HydrophobicContact CD1-CD1 4.36Å; L54-I58 WeakPolarHBondContact O-CG1 3.36Å; L54-I58 PolarHBondContact O-N 3.27Å; H55-I58 PolarHBondContact O-N 3.12Å; I58-L98 HydrophobicContact CD1-CD1 3.82Å; I58-L98 HydrophobicContact CG1-CD1 3.51Å; I58-I106 HydrophobicContact CG2-CD1 4.03Å; I58-L1118 HydrophobicContact CD1-CD1 4.04Å; I58-L1118 HydrophobicContact CD1-CD2 3.96Å; I58-L1118 HydrophobicContact CD1-CG 3.88Å; I58-L1119 HydrophobicContact CD1-CD2 4.47Å; I58-L1119 HydrophobicContact CG1-CD2 4.5Å; I58-C1122 HydrophobicContact CG2-CB 3.95Å
59	F	90.8	Very high	87.3	Confident	7 Å²	7	77.2 Å²	77.2	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-100.7	4.6	-174.8	-60.1	-76.7	0	0	0	113.1	L50 H55 G61 I62 C1122 H1126 Q1131	L50-F59 HydrophobicContact CD1-CE2 4.26Å; H55-F59 AromaticContact CD2-CD2 3.57Å; H55-F59 AromaticContact NE2-CD2 3.95Å; H55-F59 WeakPolarHBondContact O-CA 3.09Å; H55-F59 PolarHBondContact O-N 3.34Å; F59-G61 PolarHBondContact O-N 3.36Å; F59-I62 WeakPolarHBondContact O-CB 3.46Å; F59-I62 VanDerWaalsContact O-CG1 3.3Å; F59-I62 WeakPolarHBondContact O-CG1 3.45Å; F59-I62 PolarHBondContact O-N 3.02Å; F59-I62 VanDerWaalsContact O-N 3.17Å; F59-C1122 HydrophobicContact CZ-CB 3.99Å; F59-H1126 HydrophobicContact CE1-CB 4.42Å; F59-Q1131 HydrophobicContact CD1-CB 4.21Å; F59-Q1131 WeakPolarHBondContact CG-O 3.39Å
60	R	86.3	Confident	87.1	Confident	135 Å²	135	78.1 Å²	78.1	51%	0.509	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	29.6	175.4	-55.6	-176.7	179.4	-166.3	-0.1	114.1	E56 I62 G103 K104	E56-R60 WeakPolarHBondContact O-CA 3.46Å; E56-R60 PolarHBondContact O-N 2.84Å; E56-R60 VanDerWaalsContact O-N 3.1Å; R60-I62 VanDerWaalsContact C-N 3.29Å; R60-I62 PolarHBondContact O-N 3.47Å; R60-G103 PolarHBondContact NH2-O 3.23Å; R60-K104 PolarHBondContact NE-O 3.49Å; R60-K104 VanDerWaalsContact NE-O 3.07Å; R60-K104 PolarHBondContact NH1-O 2.98Å; R60-K104 PolarHBondContact NH2-O 2.85Å
61	G	71.1	Confident	87	Confident	38 Å²	38	79.2 Å²	79.2	39%	0.392	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.4	18.8	179.7	0	0	0	0	0	114	F59 E63	F59-G61 PolarHBondContact O-N 3.36Å; G61-E63 PolarHBondContact O-N 3.29Å; G61-E63 VanDerWaalsContact O-N 3.12Å
62	I	83.2	Confident	87	Confident	97 Å²	97	84 Å²	84	50%	0.497	39%	0.392	S	S	.	.			trans	-70.6	104.2	170.1	-62.1	170.1	0	0	0	107.8	H55 F59 R60 Q1131	H55-I62 PolarHBondContact CE1-O 3.38Å; H55-I62 PolarHBondContact NE2-O 3.3Å; F59-I62 WeakPolarHBondContact O-CB 3.46Å; F59-I62 VanDerWaalsContact O-CG1 3.3Å; F59-I62 WeakPolarHBondContact O-CG1 3.45Å; F59-I62 PolarHBondContact O-N 3.02Å; F59-I62 VanDerWaalsContact O-N 3.17Å; R60-I62 VanDerWaalsContact C-N 3.29Å; R60-I62 PolarHBondContact O-N 3.47Å; I62-Q1131 HydrophobicContact CG2-CB 4.44Å; I62-Q1131 HydrophobicContact CG2-CG 4.38Å
63	E	77.7	Confident	87	Confident	153 Å²	153	82.6 Å²	82.6	72%	0.715	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-71.9	137.1	175.8	-65.6	-163.6	155.9	0	0	110.9	G61 E65	G61-E63 PolarHBondContact O-N 3.29Å; G61-E63 VanDerWaalsContact O-N 3.12Å; E63-E65 PolarHBondContact O-N 3.02Å
64	P	81.4	Confident	87.1	Confident	34 Å²	34	80 Å²	80	22%	0.221	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-72.7	124	176.7	28.7	-32.4	0	0	0	110.7	Y66 D1132	P64-Y66 HydrophobicContact CB-CE1 4Å; P64-Y66 HydrophobicContact CB-CE2 4.13Å; P64-Y66 HydrophobicContact CG-CE2 3.93Å; P64-Y66 VanDerWaalsContact CG-OH 3.32Å; P64-Y66 WeakPolarHBondContact CG-OH 3.3Å; P64-D1132 HydrophobicContact CG-CB 4.46Å
65	E	81	Confident	87.1	Confident	196 Å²	196	81.8 Å²	81.8	92%	0.916	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-88.4	127.6	171	-70.1	-178	-178.9	0	0	110.4	E63	E63-E65 PolarHBondContact O-N 3.02Å
66	Y	86.4	Confident	87	Confident	67 Å²	67	86.3 Å²	86.3	26%	0.263	40%	0.399	S	S	.	.			trans	-112.4	131.6	179.1	-55.8	-61.9	0	0	0	110.6	P44 P64 M870	P44-Y66 VanDerWaalsContact CD-CE2 3.41Å; P44-Y66 HydrophobicContact CG-CD2 3.41Å; P44-Y66 VanDerWaalsContact CG-CD2 3.41Å; P44-Y66 HydrophobicContact CG-CE2 3.89Å; P44-Y66 HydrophobicContact CG-CG 3.99Å; P64-Y66 HydrophobicContact CB-CE1 4Å; P64-Y66 HydrophobicContact CB-CE2 4.13Å; P64-Y66 HydrophobicContact CG-CE2 3.93Å; P64-Y66 VanDerWaalsContact CG-OH 3.32Å; P64-Y66 WeakPolarHBondContact CG-OH 3.3Å; Y66-M870 HydrophobicContact CD1-CB 4.47Å; Y66-M870 HydrophobicContact CD1-CG 3.39Å; Y66-M870 HydrophobicContact CD1-SD 3.28Å; Y66-M870 WeakPolarHBondContact CD1-SD 3.2Å; Y66-M870 HydrophobicContact CE1-CB 4.25Å; Y66-M870 HydrophobicContact CE1-CG 3.59Å; Y66-M870 HydrophobicContact CE1-SD 3.92Å; Y66-M870 HydrophobicContact CG-CG 4.44Å; Y66-M870 HydrophobicContact CG-SD 3.78Å
67	R	88	Confident	87	Confident	199 Å²	199	82.6 Å²	82.6	75%	0.751	38%	0.381	S	S	*	.			trans	-77.1	131.4	174.2	-62.9	-177.6	-176.8	178.2	1.1	109.7	E69 A70 V71	R67-E69 VanDerWaalsContact C-N 3.3Å; R67-E69 PolarHBondContact O-N 3.38Å; R67-A70 HydrophobicContact CB-CB 4.13Å; R67-A70 WeakPolarHBondContact O-CB 3.29Å; R67-A70 PolarHBondContact O-N 3.33Å; R67-V71 PolarHBondContact O-N 2.63Å; R67-V71 VanDerWaalsContact O-N 3.1Å
68	E	88	Confident	86.9	Confident	160 Å²	160	79.8 Å²	79.8	75%	0.748	37%	0.368	S	S	*	.	H	α-helix	trans	-54.5	-45.1	-180	-66.9	-177.5	169	0	0	112.2	A70 V71 E72	E68-A70 PolarHBondContact O-N 2.83Å; E68-V71 PolarHBondContact O-N 3.26Å; E68-V71 VanDerWaalsContact O-N 3.09Å; E68-E72 PolarHBondContact O-N 2.86Å
69	E	88.1	Confident	86.8	Confident	156 Å²	156	83.9 Å²	83.9	73%	0.729	39%	0.387	S	S	*	.	H	α-helix	trans	-55.4	-38.9	175.9	-63.7	176.7	177.7	0	0	112.9	R67 R73	R67-E69 VanDerWaalsContact C-N 3.3Å; R67-E69 PolarHBondContact O-N 3.38Å; E69-R73 VanDerWaalsContact O-CB 3.26Å; E69-R73 WeakPolarHBondContact O-CB 3.36Å; E69-R73 PolarHBondContact O-N 3.17Å
70	A	87.9	Confident	86.7	Confident	21 Å²	21	89.7 Å²	89.7	17%	0.174	42%	0.419	C	S	.	.	H	α-helix	trans	-73.8	-35.3	-179.3	0	0	0	0	0	111.5	R67 E68 S74 A868 M870	R67-A70 HydrophobicContact CB-CB 4.13Å; R67-A70 WeakPolarHBondContact O-CB 3.29Å; R67-A70 PolarHBondContact O-N 3.33Å; E68-A70 PolarHBondContact O-N 2.83Å; A70-S74 WeakPolarHBondContact O-CB 3.31Å; A70-S74 PolarHBondContact O-N 3.29Å; A70-S74 VanDerWaalsContact O-N 3.08Å; A70-S74 PolarHBondContact O-OG 2.87Å; A70-A868 HydrophobicContact CB-CB 4.16Å; A70-M870 HydrophobicContact CB-CE 3.95Å; A70-M870 WeakPolarHBondContact O-CE 3.47Å
71	V	90.6	Very high	86.8	Confident	22 Å²	22	84.7 Å²	84.7	13%	0.133	40%	0.401	C	S	.	.	H	α-helix	trans	-65.7	-50.1	173.9	177.5	0	0	0	0	110.3	P44 R67 E68 R73 S74 I75 M870	P44-V71 HydrophobicContact CB-CG1 3.8Å; P44-V71 HydrophobicContact CB-CG2 3.94Å; P44-V71 HydrophobicContact CG-CG2 4.19Å; R67-V71 PolarHBondContact O-N 2.63Å; R67-V71 VanDerWaalsContact O-N 3.1Å; E68-V71 PolarHBondContact O-N 3.26Å; E68-V71 VanDerWaalsContact O-N 3.09Å; V71-R73 VanDerWaalsContact C-N 3.33Å; V71-R73 PolarHBondContact O-N 3.06Å; V71-S74 WeakPolarHBondContact O-CB 3.08Å; V71-S74 PolarHBondContact O-N 2.9Å; V71-S74 VanDerWaalsContact O-N 3.1Å; V71-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 WeakPolarHBondContact O-CG1 3.44Å; V71-I75 PolarHBondContact O-N 2.83Å; V71-M870 HydrophobicContact CG2-CE 4.02Å; V71-M870 HydrophobicContact CG2-SD 3.92Å
72	E	90.8	Very high	87.5	Confident	109 Å²	109	88.1 Å²	88.1	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-60.4	-42.1	178.4	-71	-176.2	175	0	0	112.4	E68 S74 I75 R76	E68-E72 PolarHBondContact O-N 2.86Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 3.26Å; E72-I75 PolarHBondContact O-N 3.13Å; E72-R76 WeakPolarHBondContact O-CB 3.5Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 3.46Å
73	R	89.3	Confident	87.6	Confident	108 Å²	108	83.5 Å²	83.5	41%	0.408	39%	0.387	S	S	.	.	H	α-helix	trans	-60.1	-40.8	175.3	-178.2	-178.2	169.6	174	-2	111.6	E69 V71 H77 F867	E69-R73 VanDerWaalsContact O-CB 3.26Å; E69-R73 WeakPolarHBondContact O-CB 3.36Å; E69-R73 PolarHBondContact O-N 3.17Å; V71-R73 VanDerWaalsContact C-N 3.33Å; V71-R73 PolarHBondContact O-N 3.06Å; R73-H77 WeakPolarHBondContact O-CB 3.45Å; R73-H77 PolarHBondContact O-N 2.83Å; R73-F867 HydrophobicContact CG-CE1 4.24Å; R73-F867 HydrophobicContact CG-CE2 4.34Å; R73-F867 HydrophobicContact CG-CZ 3.7Å; R73-F867 VanDerWaalsContact NE-CE2 3.28Å
74	S	91.3	Very high	88.1	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-66.3	-44.7	177.5	-55	0	0	0	0	111.6	A70 V71 E72 R76 H77 L78 M870 C873	A70-S74 WeakPolarHBondContact O-CB 3.31Å; A70-S74 PolarHBondContact O-N 3.29Å; A70-S74 VanDerWaalsContact O-N 3.08Å; A70-S74 PolarHBondContact O-OG 2.87Å; V71-S74 WeakPolarHBondContact O-CB 3.08Å; V71-S74 PolarHBondContact O-N 2.9Å; V71-S74 VanDerWaalsContact O-N 3.1Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 3.26Å; S74-R76 PolarHBondContact O-N 3.38Å; S74-H77 PolarHBondContact O-N 3.09Å; S74-L78 WeakPolarHBondContact O-CG 3.3Å; S74-L78 PolarHBondContact O-N 2.87Å; S74-M870 WeakPolarHBondContact OG-CE 3.03Å; S74-C873 VanDerWaalsContact OG-CB 3.28Å; S74-C873 WeakPolarHBondContact OG-CB 3.32Å
75	I	91.4	Very high	88	Confident	38 Å²	38	82.2 Å²	82.2	20%	0.195	39%	0.394	C	S	.	.	H	α-helix	trans	-60.9	-47.3	176.3	-66.4	171.3	0	0	0	110.6	L45 V71 E72 H77 L78 Q79 W84	L45-I75 HydrophobicContact CD2-CG1 3.82Å; V71-I75 HydrophobicContact CG1-CD1 3.93Å; V71-I75 HydrophobicContact CG1-CG1 4.49Å; V71-I75 WeakPolarHBondContact O-CG1 3.44Å; V71-I75 PolarHBondContact O-N 2.83Å; E72-I75 PolarHBondContact O-N 3.13Å; I75-H77 VanDerWaalsContact C-N 3.32Å; I75-H77 PolarHBondContact O-N 2.93Å; I75-L78 PolarHBondContact O-N 3.43Å; I75-Q79 HydrophobicContact CG2-CG 4.32Å; I75-Q79 WeakPolarHBondContact O-CB 3.12Å; I75-Q79 VanDerWaalsContact O-CG 3.27Å; I75-Q79 WeakPolarHBondContact O-CG 3.34Å; I75-Q79 PolarHBondContact O-N 2.81Å; I75-W84 HydrophobicContact CD1-CH2 3.98Å; I75-W84 HydrophobicContact CD1-CZ2 4.1Å; I75-W84 HydrophobicContact CG1-CE3 4.33Å; I75-W84 HydrophobicContact CG1-CH2 3.77Å; I75-W84 HydrophobicContact CG1-CZ2 4.09Å; I75-W84 HydrophobicContact CG1-CZ3 3.9Å; I75-W84 HydrophobicContact CG2-CD2 4.06Å; I75-W84 HydrophobicContact CG2-CE3 4.49Å; I75-W84 HydrophobicContact CG2-CG 4.44Å; I75-W84 HydrophobicContact CG2-CZ2 4.24Å
76	R	89.9	Confident	88	Confident	102 Å²	102	76.7 Å²	76.7	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-57.2	-44.3	175.6	-78.8	-172.4	-92.4	151.4	-8.5	111.9	E72 S74 Q79 N80 E976	E72-R76 WeakPolarHBondContact O-CB 3.5Å; E72-R76 WeakPolarHBondContact O-CG 3.47Å; E72-R76 PolarHBondContact O-N 3.46Å; S74-R76 PolarHBondContact O-N 3.38Å; R76-Q79 PolarHBondContact O-N 2.94Å; R76-N80 PolarHBondContact O-N 3.1Å; R76-N80 PolarHBondContact O-ND2 3.4Å; R76-N80 PolarHBondContact O-OD1 2.7Å; R76-E976 IonicContact NH1-OE1 3.06Å; R76-E976 PolarHBondContact NH1-OE1 2.86Å; R76-E976 IonicContact NH1-OE2 2.74Å; R76-E976 PolarHBondContact NH1-OE2 3.42Å; R76-E976 VanDerWaalsContact NH1-OE2 3.12Å
77	H	89.6	Confident	87.1	Confident	26 Å²	26	80.7 Å²	80.7	12%	0.12	39%	0.388	C	S	.	.	H	α-helix	trans	-62.7	-45	177.3	-179.5	76.3	0	0	0	112.4	R73 S74 I75 Q79 N80 H81 F867 A875	R73-H77 WeakPolarHBondContact O-CB 3.45Å; R73-H77 PolarHBondContact O-N 2.83Å; S74-H77 PolarHBondContact O-N 3.09Å; I75-H77 VanDerWaalsContact C-N 3.32Å; I75-H77 PolarHBondContact O-N 2.93Å; H77-Q79 VanDerWaalsContact C-N 3.34Å; H77-Q79 PolarHBondContact O-N 2.83Å; H77-N80 PolarHBondContact O-N 2.85Å; H77-H81 AromaticContact CE1-CD2 3.43Å; H77-H81 PolarHBondContact CE1-CD2 3.22Å; H77-H81 VanDerWaalsContact CE1-CD2 3.43Å; H77-H81 AromaticContact CE1-NE2 3.25Å; H77-H81 PolarHBondContact CE1-NE2 3.45Å; H77-H81 AromaticContact ND1-CD2 3.82Å; H77-H81 AromaticContact ND1-NE2 3.76Å; H77-H81 AromaticContact NE2-CD2 3.61Å; H77-H81 AromaticContact NE2-NE2 3.84Å; H77-H81 PolarHBondContact O-CD2 3.48Å; H77-H81 PolarHBondContact O-N 2.72Å; H77-F867 HydrophobicContact CB-CZ 3.93Å; H77-A875 PolarHBondContact CD2-N 3.27Å; H77-A875 VanDerWaalsContact CD2-N 3.33Å; H77-A875 PolarHBondContact NE2-N 3.1Å
78	L	90.3	Very high	86.3	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-67.1	-33.4	177.7	-66.2	175.8	0	0	0	112.9	S74 I75 H81 N82 L83 W84 W878	S74-L78 WeakPolarHBondContact O-CG 3.3Å; S74-L78 PolarHBondContact O-N 2.87Å; I75-L78 PolarHBondContact O-N 3.43Å; L78-H81 PolarHBondContact O-N 2.76Å; L78-N82 PolarHBondContact O-N 3.35Å; L78-L83 HydrophobicContact CD2-CB 4.31Å; L78-L83 HydrophobicContact CD2-CD1 4.24Å; L78-L83 PolarHBondContact O-N 3.31Å; L78-W84 HydrophobicContact CB-CB 4.14Å; L78-W84 HydrophobicContact CB-CE3 4.44Å; L78-W84 HydrophobicContact CD1-CE3 3.94Å; L78-W84 HydrophobicContact CD1-CZ3 4.33Å; L78-W84 PolarHBondContact O-N 3.38Å; L78-W878 HydrophobicContact CD2-CB 3.81Å; L78-W878 HydrophobicContact CD2-CG 4.05Å
79	Q	90.7	Very high	85.5	Confident	94 Å²	94	69.7 Å²	69.7	44%	0.439	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-47.5	173	-74.9	173.2	-12.2	0	0	111.1	I75 R76 H77 H81 N82 W84	I75-Q79 HydrophobicContact CG2-CG 4.32Å; I75-Q79 WeakPolarHBondContact O-CB 3.12Å; I75-Q79 VanDerWaalsContact O-CG 3.27Å; I75-Q79 WeakPolarHBondContact O-CG 3.34Å; I75-Q79 PolarHBondContact O-N 2.81Å; R76-Q79 PolarHBondContact O-N 2.94Å; H77-Q79 VanDerWaalsContact C-N 3.34Å; H77-Q79 PolarHBondContact O-N 2.83Å; Q79-H81 PolarHBondContact O-N 2.78Å; Q79-H81 VanDerWaalsContact O-N 3.08Å; Q79-N82 PolarHBondContact O-N 3.38Å; Q79-W84 HydrophobicContact CG-CB 3.71Å; Q79-W84 HydrophobicContact CG-CG 3.92Å
80	N	88.4	Confident	85.2	Confident	129 Å²	129	67.1 Å²	67.1	69%	0.69	35%	0.348	S	S	*	.	H	α-helix	trans	-57.7	-26.7	178	-70	-13	0	0	0	113.2	R76 H77	R76-N80 PolarHBondContact O-N 3.1Å; R76-N80 PolarHBondContact O-ND2 3.4Å; R76-N80 PolarHBondContact O-OD1 2.7Å; H77-N80 PolarHBondContact O-N 2.85Å
81	H	86.9	Confident	85	Confident	29 Å²	29	69.7 Å²	69.7	13%	0.134	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	8.5	179	-67.4	-61.9	0	0	0	114.4	H77 L78 Q79 L83 A875 R894	H77-H81 AromaticContact CE1-CD2 3.43Å; H77-H81 PolarHBondContact CE1-CD2 3.22Å; H77-H81 VanDerWaalsContact CE1-CD2 3.43Å; H77-H81 AromaticContact CE1-NE2 3.25Å; H77-H81 PolarHBondContact CE1-NE2 3.45Å; H77-H81 AromaticContact ND1-CD2 3.82Å; H77-H81 AromaticContact ND1-NE2 3.76Å; H77-H81 AromaticContact NE2-CD2 3.61Å; H77-H81 AromaticContact NE2-NE2 3.84Å; H77-H81 PolarHBondContact O-CD2 3.48Å; H77-H81 PolarHBondContact O-N 2.72Å; L78-H81 PolarHBondContact O-N 2.76Å; Q79-H81 PolarHBondContact O-N 2.78Å; Q79-H81 VanDerWaalsContact O-N 3.08Å; H81-L83 HydrophobicContact CB-CD1 4.34Å; H81-L83 HydrophobicContact CB-CG 4.37Å; H81-L83 PolarHBondContact O-N 3.15Å; H81-A875 HydrophobicContact CB-CB 3.96Å; H81-R894 PolarHBondContact O-NH1 2.98Å
82	N	87	Confident	84.7	Confident	111 Å²	111	72.2 Å²	72.2	59%	0.594	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	43.7	-179.5	-60.6	-34.9	0	0	0	113.6	L78 Q79 K86	L78-N82 PolarHBondContact O-N 3.35Å; Q79-N82 PolarHBondContact O-N 3.38Å; N82-K86 WeakPolarHBondContact O-CE 3.38Å; N82-K86 PolarHBondContact O-NZ 2.8Å
83	L	86.1	Confident	84.4	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	37%	0.368	C	S	.	.			trans	-114.8	-25	178.1	-61.9	177.1	0	0	0	113.2	L78 H81 A875 W878 M879	L78-L83 HydrophobicContact CD2-CB 4.31Å; L78-L83 HydrophobicContact CD2-CD1 4.24Å; L78-L83 PolarHBondContact O-N 3.31Å; H81-L83 HydrophobicContact CB-CD1 4.34Å; H81-L83 HydrophobicContact CB-CG 4.37Å; H81-L83 PolarHBondContact O-N 3.15Å; L83-A875 HydrophobicContact CD1-CB 3.67Å; L83-W878 HydrophobicContact CB-CD2 4.15Å; L83-W878 HydrophobicContact CB-CE3 4.07Å; L83-W878 HydrophobicContact CB-CZ3 4.44Å; L83-W878 HydrophobicContact CD1-CB 4.42Å; L83-W878 HydrophobicContact CD1-CD2 4.41Å; L83-W878 HydrophobicContact CD1-CE3 4.01Å; L83-W878 HydrophobicContact CD2-CE3 3.84Å; L83-W878 HydrophobicContact CD2-CZ3 3.84Å; L83-W878 HydrophobicContact CG-CE3 4.19Å; L83-M879 HydrophobicContact CD1-CE 3.8Å; L83-M879 HydrophobicContact CD1-CG 4.1Å; L83-M879 HydrophobicContact CD2-CE 4.44Å; L83-M879 HydrophobicContact CD2-CG 4.42Å
84	W	87	Confident	84.3	Confident	84 Å²	84	65.4 Å²	65.4	32%	0.318	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	138.9	178.6	-172.6	-107.8	0	0	0	112.1	L45 I75 L78 Q79 K86	L45-W84 HydrophobicContact CB-CZ3 4.38Å; L45-W84 HydrophobicContact CD2-CZ3 4.02Å; I75-W84 HydrophobicContact CD1-CH2 3.98Å; I75-W84 HydrophobicContact CD1-CZ2 4.1Å; I75-W84 HydrophobicContact CG1-CE3 4.33Å; I75-W84 HydrophobicContact CG1-CH2 3.77Å; I75-W84 HydrophobicContact CG1-CZ2 4.09Å; I75-W84 HydrophobicContact CG1-CZ3 3.9Å; I75-W84 HydrophobicContact CG2-CD2 4.06Å; I75-W84 HydrophobicContact CG2-CE3 4.49Å; I75-W84 HydrophobicContact CG2-CG 4.44Å; I75-W84 HydrophobicContact CG2-CZ2 4.24Å; L78-W84 HydrophobicContact CB-CB 4.14Å; L78-W84 HydrophobicContact CB-CE3 4.44Å; L78-W84 HydrophobicContact CD1-CE3 3.94Å; L78-W84 HydrophobicContact CD1-CZ3 4.33Å; L78-W84 PolarHBondContact O-N 3.38Å; Q79-W84 HydrophobicContact CG-CB 3.71Å; Q79-W84 HydrophobicContact CG-CG 3.92Å; W84-K86 PolarHBondContact O-N 2.96Å
85	G	79.2	Confident	84	Confident	75 Å²	75	71.3 Å²	71.3	77%	0.773	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	7.6	176	0	0	0	0	0	115.9
86	K	80.4	Confident	83.8	Confident	80 Å²	80	69.6 Å²	69.6	35%	0.348	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-79.4	149.9	174.5	-67.7	-169.8	171.5	172.5	0	112	N82 W84 T88 W878 T889	N82-K86 WeakPolarHBondContact O-CE 3.38Å; N82-K86 PolarHBondContact O-NZ 2.8Å; W84-K86 PolarHBondContact O-N 2.96Å; K86-T88 PolarHBondContact O-N 3.48Å; K86-W878 HydrophobicContact CB-CH2 4.03Å; K86-W878 HydrophobicContact CB-CZ2 4.23Å; K86-W878 HydrophobicContact CD-CH2 4.44Å; K86-T889 HydrophobicContact CD-CG2 3.73Å
87	E	69	Low	83.8	Confident	151 Å²	151	73.2 Å²	73.2	71%	0.706	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-63.7	120.3	-176.5	-73.5	-175.9	171	0	0	113.8	K884	E87-K884 PolarHBondContact O-NZ 3.09Å
88	T	69.6	Low	83.8	Confident	52 Å²	52	72.5 Å²	72.5	32%	0.319	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-93.9	126.1	176.5	57.2	0	0	0	0	110.4	K86 L90 Q882	K86-T88 PolarHBondContact O-N 3.48Å; T88-L90 PolarHBondContact O-N 2.86Å; T88-Q882 VanDerWaalsContact CG2-CD 3.48Å; T88-Q882 VanDerWaalsContact CG2-NE2 3.34Å
89	S	71.4	Confident	83.7	Confident	77 Å²	77	72.9 Å²	72.9	54%	0.538	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-77.9	118.5	170.9	43.1	0	0	0	0	109.7	K884	S89-K884 VanDerWaalsContact OG-CE 3.31Å; S89-K884 WeakPolarHBondContact OG-CE 3.34Å
90	L	81.8	Confident	83.7	Confident	102 Å²	102	78.7 Å²	78.7	53%	0.534	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-79.4	134.7	172.2	-61.3	176.2	0	0	0	110	T40 L42 Q48 T88	T40-L90 HydrophobicContact CG2-CD2 4.44Å; L42-L90 HydrophobicContact CD2-CD2 4.13Å; Q48-L90 HydrophobicContact CB-CD2 4.44Å; T88-L90 PolarHBondContact O-N 2.86Å
91	L	84.2	Confident	83.7	Confident	75 Å²	75	74.1 Å²	74.1	39%	0.393	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-92.4	152.1	172.8	-61.5	175.7	0	0	0	109.5	Q48 Q1135	Q48-L91 PolarHBondContact NE2-O 3.37Å; Q48-L91 PolarHBondContact OE1-O 2.92Å; L91-Q1135 HydrophobicContact CD1-CG 4.48Å
92	P	84.9	Confident	83.9	Confident	74 Å²	74	75.7 Å²	75.7	48%	0.481	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-64.3	142.2	173.9	27.8	-34.1	0	0	0	110.7	Q1135	P92-Q1135 PolarHBondContact O-NE2 3.32Å
93	D	84.9	Confident	84	Confident	68 Å²	68	72.1 Å²	72.1	36%	0.364	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-66.5	141.1	175.4	-75.4	-14.5	0	0	0	110.8	Q48	Q48-D93 PolarHBondContact NE2-OD1 2.86Å
94	V	86.1	Confident	84.1	Confident	6 Å²	6	79.8 Å²	79.8	4%	0.036	41%	0.413	C	S	.	.			trans	-106.1	118.6	180	174.9	0	0	0	0	109	S51 L54 L96 F1139 M1180 L1184	S51-V94 WeakPolarHBondContact CB-O 3.47Å; S51-V94 PolarHBondContact OG-O 3.32Å; L54-V94 HydrophobicContact CD1-CB 4.32Å; L54-V94 HydrophobicContact CD1-CG1 4.34Å; V94-L96 HydrophobicContact CG1-CB 4.19Å; V94-F1139 HydrophobicContact CB-CE2 4.08Å; V94-F1139 HydrophobicContact CB-CZ 4.24Å; V94-F1139 HydrophobicContact CG1-CE2 4.3Å; V94-F1139 HydrophobicContact CG1-CZ 4Å; V94-F1139 HydrophobicContact CG2-CD2 4.46Å; V94-F1139 HydrophobicContact CG2-CE2 3.8Å; V94-F1139 HydrophobicContact CG2-CZ 4.33Å; V94-M1180 HydrophobicContact CG1-CE 4.17Å; V94-M1180 HydrophobicContact CG2-CG 4.41Å; V94-L1184 HydrophobicContact CG1-CD1 3.78Å
95	D	84.3	Confident	84.3	Confident	124 Å²	124	78.2 Å²	78.2	66%	0.663	41%	0.411	S	S	*	.			trans	-100	110.9	169.9	-173.7	13	0	0	0	109.4	N53	N53-D95 PolarHBondContact ND2-OD1 3.12Å; N53-D95 PolarHBondContact OD1-OD1 3.11Å
96	L	88.9	Confident	85	Confident	3 Å²	3	74.7 Å²	74.7	2%	0.016	38%	0.375	C	S	.	.			trans	-144	127.1	-177.3	171.7	68.8	0	0	0	110.1	N53 L54 Q57 V94 L98 L1111 I1115 M1180 L1184 G1189	N53-L96 PolarHBondContact OD1-N 3.05Å; N53-L96 PolarHBondContact OD1-O 3.39Å; L54-L96 HydrophobicContact CD2-CB 4.2Å; Q57-L96 PolarHBondContact NE2-O 3.17Å; V94-L96 HydrophobicContact CG1-CB 4.19Å; L96-L98 HydrophobicContact CD2-CD2 3.84Å; L96-L98 HydrophobicContact CG-CD2 4.27Å; L96-L98 PolarHBondContact O-N 3.22Å; L96-L1111 HydrophobicContact CD2-CD1 4.44Å; L96-I1115 HydrophobicContact CD2-CD1 4.11Å; L96-I1115 HydrophobicContact CD2-CG1 3.87Å; L96-M1180 HydrophobicContact CD2-CE 3.76Å; L96-L1184 HydrophobicContact CD1-CD2 3.86Å; L96-G1189 WeakPolarHBondContact CD1-O 3.46Å
97	K	88.7	Confident	85.7	Confident	177 Å²	177	72.1 Å²	72.1	77%	0.77	37%	0.365	S	S	*	.			trans	-79.6	108	170.4	-170.9	174.1	-176.7	174.5	0	110.3
98	L	89.7	Confident	86.9	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.063	34%	0.344	C	S	.	.			trans	-71.5	152.8	178.4	-64.2	177	0	0	0	111.4	L54 Q57 I58 L96 I1115 L1118	L54-L98 HydrophobicContact CD2-CD1 4.01Å; L54-L98 HydrophobicContact CD2-CD2 4.12Å; L54-L98 HydrophobicContact CD2-CG 3.94Å; Q57-L98 HydrophobicContact CB-CD1 4.12Å; I58-L98 HydrophobicContact CD1-CD1 3.82Å; I58-L98 HydrophobicContact CG1-CD1 3.51Å; L96-L98 HydrophobicContact CD2-CD2 3.84Å; L96-L98 HydrophobicContact CG-CD2 4.27Å; L96-L98 PolarHBondContact O-N 3.22Å; L98-I1115 HydrophobicContact CD2-CG1 4.19Å; L98-I1115 HydrophobicContact CD2-CG2 4.14Å; L98-L1118 HydrophobicContact CD2-CD2 4.28Å
99	P	89.4	Confident	88.1	Confident	8 Å²	8	64.8 Å²	64.8	5%	0.052	33%	0.328	C	S	.	.			trans	-54.4	154.5	167.1	-25.6	36.3	0	0	0	111.7	M101 W1078 L1079 Y1083 L1191	P99-M101 PolarHBondContact O-N 3.1Å; P99-W1078 HydrophobicContact CB-CH2 3.61Å; P99-W1078 HydrophobicContact CB-CZ2 3.96Å; P99-W1078 HydrophobicContact CG-CH2 4.31Å; P99-L1079 HydrophobicContact CB-CD2 4.39Å; P99-L1079 HydrophobicContact CG-CD2 3.78Å; P99-Y1083 WeakPolarHBondContact CA-OH 3.43Å; P99-Y1083 HydrophobicContact CB-CE2 3.91Å; P99-Y1083 VanDerWaalsContact CB-OH 3.23Å; P99-Y1083 WeakPolarHBondContact CB-OH 3.09Å; P99-Y1083 HydrophobicContact CG-CE2 3.74Å; P99-Y1083 WeakPolarHBondContact CG-OH 3.35Å; P99-L1191 HydrophobicContact CG-CD1 4.01Å
100	R	89.1	Confident	89.4	Confident	216 Å²	216	61.1 Å²	61.1	82%	0.815	30%	0.303	S	S	*	.			trans	-63.7	113.1	-178.6	-176.9	-179.2	178.3	-177.6	-0.1	110.3
101	M	89.8	Confident	90.1	Very high	33 Å²	33	61.1 Å²	61.1	16%	0.163	30%	0.296	C	S	.	.			trans	-68.4	144.2	173.3	-61.7	-67.9	-76	0	0	111.1	P99 I106 H109 L1119	P99-M101 PolarHBondContact O-N 3.1Å; M101-I106 HydrophobicContact CE-CD1 4.38Å; M101-I106 HydrophobicContact CE-CG1 4.02Å; M101-H109 HydrophobicContact CE-CB 3.88Å; M101-H109 WeakPolarHBondContact CE-CD2 3.34Å; M101-L1119 HydrophobicContact CE-CD2 3.79Å; M101-L1119 HydrophobicContact SD-CD1 4.31Å; M101-L1119 HydrophobicContact SD-CD2 3.87Å
102	F	89.6	Confident	90.7	Very high	62 Å²	62	60.7 Å²	60.7	27%	0.272	29%	0.293	S	S	.	.			trans	-96.4	165.1	174.8	-55.4	-65.4	0	0	0	110.7	H109 I112 L113 W1078	F102-H109 AromaticContact CD2-CE1 3.57Å; F102-H109 AromaticContact CD2-ND1 3.46Å; F102-H109 WeakPolarHBondContact CD2-ND1 3.39Å; F102-H109 AromaticContact CG-ND1 3.92Å; F102-H109 PolarHBondContact N-ND1 3.36Å; F102-H109 WeakPolarHBondContact O-CB 3.35Å; F102-I112 HydrophobicContact CB-CB 4.42Å; F102-I112 HydrophobicContact CB-CD1 3.97Å; F102-I112 HydrophobicContact CB-CG2 4.17Å; F102-I112 HydrophobicContact CG-CG2 4.43Å; F102-L113 HydrophobicContact CD2-CD2 3.74Å; F102-L113 HydrophobicContact CE2-CD2 3.76Å; F102-W1078 AromaticContact CE2-CE2 4Å; F102-W1078 HydrophobicContact CE2-CZ2 4.15Å; F102-W1078 AromaticContact CE2-NE1 3.6Å
103	G	89.1	Confident	91.2	Very high	35 Å²	35	57.3 Å²	57.3	36%	0.361	27%	0.271	S	S	.	.	S	Bend	trans	77.1	-162.9	173.4	0	0	0	0	0	115	R60	R60-G103 PolarHBondContact NH2-O 3.23Å
104	K	88.8	Confident	91.7	Very high	161 Å²	161	54 Å²	54	70%	0.7	25%	0.254	S	S	*	.	S	Bend	trans	-98.6	-27	176.7	-60.4	175.4	-177.1	170.8	0	113.7	R60 D108	R60-K104 PolarHBondContact NE-O 3.49Å; R60-K104 VanDerWaalsContact NE-O 3.07Å; R60-K104 PolarHBondContact NH1-O 2.98Å; R60-K104 PolarHBondContact NH2-O 2.85Å; K104-D108 VanDerWaalsContact CB-OD2 3.28Å; K104-D108 WeakPolarHBondContact CB-OD2 3.35Å; K104-D108 PolarHBondContact N-OD2 3.28Å
105	N	92.1	Very high	92.2	Very high	51 Å²	51	58.8 Å²	58.8	27%	0.273	28%	0.275	S	S	.	.	S	Bend	trans	-144	-176.1	180	59.7	20.5	0	0	0	109.2	D107 D108 H109 H1126	N105-D107 PolarHBondContact OD1-N 3.03Å; N105-D108 WeakPolarHBondContact OD1-CB 3.32Å; N105-D108 VanDerWaalsContact OD1-CG 3.28Å; N105-D108 PolarHBondContact OD1-N 3.03Å; N105-H109 PolarHBondContact O-N 3.1Å; N105-H109 VanDerWaalsContact O-N 3.12Å; N105-H1126 PolarHBondContact ND2-NE2 3.39Å
106	I	93.5	Very high	92.6	Very high	2 Å²	2	59 Å²	59	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-69.5	-32.2	-179	-167.1	161.3	0	0	0	113.2	I58 M101 H109 F110 L1119 C1122 M1123 H1126	I58-I106 HydrophobicContact CG2-CD1 4.03Å; M101-I106 HydrophobicContact CE-CD1 4.38Å; M101-I106 HydrophobicContact CE-CG1 4.02Å; I106-H109 WeakPolarHBondContact O-CB 3.49Å; I106-H109 PolarHBondContact O-N 3.08Å; I106-F110 HydrophobicContact CD1-CE2 4.24Å; I106-F110 HydrophobicContact CG1-CD2 3.96Å; I106-F110 HydrophobicContact CG1-CE2 3.88Å; I106-F110 WeakPolarHBondContact O-CD2 3.46Å; I106-F110 PolarHBondContact O-N 3.43Å; I106-F110 VanDerWaalsContact O-N 3.1Å; I106-L1119 HydrophobicContact CD1-CB 4.41Å; I106-L1119 HydrophobicContact CD1-CD2 4.14Å; I106-L1119 WeakPolarHBondContact CD1-O 3.36Å; I106-C1122 HydrophobicContact CD1-CB 3.55Å; I106-M1123 HydrophobicContact CD1-CB 4.28Å; I106-M1123 HydrophobicContact CG1-CB 4.26Å; I106-M1123 HydrophobicContact CG2-SD 4.04Å; I106-H1126 HydrophobicContact CG2-CB 3.59Å
107	D	94.3	Very high	92.8	Very high	26 Å²	26	59.6 Å²	59.6	14%	0.139	27%	0.273	C	S	.	.	H	α-helix	trans	-63.3	-51.9	174.4	-178.4	36.8	0	0	0	111	N105 H109 F110 R111 H391 M1123	N105-D107 PolarHBondContact OD1-N 3.03Å; D107-H109 PolarHBondContact O-N 3.42Å; D107-F110 PolarHBondContact O-N 2.97Å; D107-F110 VanDerWaalsContact O-N 3.08Å; D107-R111 WeakPolarHBondContact O-CG 3.35Å; D107-R111 PolarHBondContact O-N 3.19Å; D107-R111 IonicContact OD1-NE 3.36Å; D107-R111 PolarHBondContact OD1-NE 3.43Å; D107-R111 IonicContact OD1-NH2 2.62Å; D107-R111 IonicContact OD2-CZ 2.82Å; D107-R111 IonicContact OD2-NE 2.83Å; D107-R111 PolarHBondContact OD2-NE 3.45Å; D107-R111 IonicContact OD2-NH2 3.67Å; D107-R111 PolarHBondContact OD2-NH2 3.46Å; D107-H391 IonicContact OD1-CD2 3.08Å; D107-H391 IonicContact OD1-NE2 3.66Å; D107-H391 PolarHBondContact OD1-NE2 2.87Å; D107-H391 VanDerWaalsContact OD1-NE2 3.14Å; D107-M1123 VanDerWaalsContact CA-SD 3.58Å; D107-M1123 HydrophobicContact CB-CE 3.75Å; D107-M1123 HydrophobicContact CB-SD 3.89Å; D107-M1123 WeakPolarHBondContact OD1-CE 3.41Å
108	D	94.8	Very high	93.1	Very high	48 Å²	48	51.3 Å²	51.3	26%	0.257	24%	0.238	S	C	.	.	H	α-helix	trans	-56.1	-38.4	175.7	-74.1	-14.3	0	0	0	111.5	K104 N105 R111 I112	K104-D108 VanDerWaalsContact CB-OD2 3.28Å; K104-D108 WeakPolarHBondContact CB-OD2 3.35Å; K104-D108 PolarHBondContact N-OD2 3.28Å; N105-D108 WeakPolarHBondContact OD1-CB 3.32Å; N105-D108 VanDerWaalsContact OD1-CG 3.28Å; N105-D108 PolarHBondContact OD1-N 3.03Å; D108-R111 PolarHBondContact O-N 2.81Å; D108-I112 WeakPolarHBondContact O-CB 3.32Å; D108-I112 WeakPolarHBondContact O-CD1 3.49Å; D108-I112 WeakPolarHBondContact O-CG1 3.42Å; D108-I112 PolarHBondContact O-N 2.91Å
109	H	95.6	Very high	93.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.8	-53.7	175.2	177.6	60.4	0	0	0	111	M101 F102 N105 I106 D107 R111 I112 L113 W1078	M101-H109 HydrophobicContact CE-CB 3.88Å; M101-H109 WeakPolarHBondContact CE-CD2 3.34Å; F102-H109 AromaticContact CD2-CE1 3.57Å; F102-H109 AromaticContact CD2-ND1 3.46Å; F102-H109 WeakPolarHBondContact CD2-ND1 3.39Å; F102-H109 AromaticContact CG-ND1 3.92Å; F102-H109 PolarHBondContact N-ND1 3.36Å; F102-H109 WeakPolarHBondContact O-CB 3.35Å; N105-H109 PolarHBondContact O-N 3.1Å; N105-H109 VanDerWaalsContact O-N 3.12Å; I106-H109 WeakPolarHBondContact O-CB 3.49Å; I106-H109 PolarHBondContact O-N 3.08Å; D107-H109 PolarHBondContact O-N 3.42Å; H109-R111 VanDerWaalsContact C-N 3.33Å; H109-R111 PolarHBondContact O-N 2.95Å; H109-I112 PolarHBondContact O-N 3.28Å; H109-L113 WeakPolarHBondContact NE2-CD1 3.41Å; H109-L113 WeakPolarHBondContact O-CG 3.25Å; H109-L113 PolarHBondContact O-N 3.28Å; H109-W1078 AromaticContact CE1-CH2 3.68Å; H109-W1078 AromaticContact CE1-CZ2 3.86Å; H109-W1078 AromaticContact NE2-CH2 3.68Å; H109-W1078 AromaticContact NE2-CZ3 3.6Å
110	F	97.3	Very high	93.6	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64	-35.1	179.9	-85.9	-73	0	0	0	113.1	I106 D107 L113 A114 V393 L1071 A1075 L1119 M1123	I106-F110 HydrophobicContact CD1-CE2 4.24Å; I106-F110 HydrophobicContact CG1-CD2 3.96Å; I106-F110 HydrophobicContact CG1-CE2 3.88Å; I106-F110 WeakPolarHBondContact O-CD2 3.46Å; I106-F110 PolarHBondContact O-N 3.43Å; I106-F110 VanDerWaalsContact O-N 3.1Å; D107-F110 PolarHBondContact O-N 2.97Å; D107-F110 VanDerWaalsContact O-N 3.08Å; F110-L113 PolarHBondContact O-N 2.95Å; F110-A114 WeakPolarHBondContact O-CB 3.38Å; F110-A114 PolarHBondContact O-N 3.27Å; F110-V393 HydrophobicContact CB-CG2 4.07Å; F110-L1071 HydrophobicContact CB-CD2 4.05Å; F110-L1071 HydrophobicContact CD1-CD2 3.35Å; F110-L1071 HydrophobicContact CD2-CD2 3.91Å; F110-L1071 HydrophobicContact CE1-CB 4.1Å; F110-L1071 HydrophobicContact CE1-CD2 3.62Å; F110-L1071 HydrophobicContact CE1-CG 4.49Å; F110-L1071 HydrophobicContact CE2-CD2 4.16Å; F110-L1071 HydrophobicContact CG-CD2 3.5Å; F110-L1071 HydrophobicContact CZ-CB 4.41Å; F110-L1071 HydrophobicContact CZ-CD2 4.02Å; F110-A1075 HydrophobicContact CE1-CB 3.81Å; F110-A1075 HydrophobicContact CZ-CB 4.24Å; F110-L1119 HydrophobicContact CE2-CB 4.17Å; F110-L1119 HydrophobicContact CZ-CB 3.96Å; F110-M1123 HydrophobicContact CD2-CB 4.02Å; F110-M1123 HydrophobicContact CD2-CG 3.97Å; F110-M1123 HydrophobicContact CD2-SD 4.35Å; F110-M1123 HydrophobicContact CE2-CB 3.79Å; F110-M1123 HydrophobicContact CE2-CG 4.22Å
111	R	96.4	Very high	94	Very high	103 Å²	103	46.1 Å²	46.1	39%	0.389	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-50.8	172.6	-70.5	179.6	-171.3	-138.2	9.5	111.7	D107 D108 H109 L113 A114 E115 H391 P392	D107-R111 WeakPolarHBondContact O-CG 3.35Å; D107-R111 PolarHBondContact O-N 3.19Å; D107-R111 IonicContact OD1-NE 3.36Å; D107-R111 PolarHBondContact OD1-NE 3.43Å; D107-R111 IonicContact OD1-NH2 2.62Å; D107-R111 IonicContact OD2-CZ 2.82Å; D107-R111 IonicContact OD2-NE 2.83Å; D107-R111 PolarHBondContact OD2-NE 3.45Å; D107-R111 IonicContact OD2-NH2 3.67Å; D107-R111 PolarHBondContact OD2-NH2 3.46Å; D108-R111 PolarHBondContact O-N 2.81Å; H109-R111 VanDerWaalsContact C-N 3.33Å; H109-R111 PolarHBondContact O-N 2.95Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 PolarHBondContact O-N 2.91Å; R111-A114 PolarHBondContact O-N 3.14Å; R111-E115 WeakPolarHBondContact O-CB 3.43Å; R111-E115 VanDerWaalsContact O-CG 3.29Å; R111-E115 WeakPolarHBondContact O-CG 3.28Å; R111-E115 PolarHBondContact O-N 3.32Å; R111-H391 VanDerWaalsContact CG-NE2 3.3Å; R111-H391 WeakPolarHBondContact CG-NE2 3.3Å; R111-P392 HydrophobicContact CB-CG 4.36Å; R111-P392 HydrophobicContact CG-CG 4.36Å
112	I	96.8	Very high	94.2	Very high	66 Å²	66	46.8 Å²	46.8	34%	0.338	23%	0.231	S	C	.	.	H	α-helix	trans	-61	-41.6	179	-68.1	164.3	0	0	0	110.9	F102 D108 H109 K116	F102-I112 HydrophobicContact CB-CB 4.42Å; F102-I112 HydrophobicContact CB-CD1 3.97Å; F102-I112 HydrophobicContact CB-CG2 4.17Å; F102-I112 HydrophobicContact CG-CG2 4.43Å; D108-I112 WeakPolarHBondContact O-CB 3.32Å; D108-I112 WeakPolarHBondContact O-CD1 3.49Å; D108-I112 WeakPolarHBondContact O-CG1 3.42Å; D108-I112 PolarHBondContact O-N 2.91Å; H109-I112 PolarHBondContact O-N 3.28Å; I112-K116 VanDerWaalsContact O-CB 3.31Å; I112-K116 WeakPolarHBondContact O-CB 3.26Å; I112-K116 PolarHBondContact O-N 3.23Å
113	L	96	Very high	94.5	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-52	176.5	-70.4	-171.1	0	0	0	111.4	F102 H109 F110 R111 K116 Q117 V1074 W1078	F102-L113 HydrophobicContact CD2-CD2 3.74Å; F102-L113 HydrophobicContact CE2-CD2 3.76Å; H109-L113 WeakPolarHBondContact NE2-CD1 3.41Å; H109-L113 WeakPolarHBondContact O-CG 3.25Å; H109-L113 PolarHBondContact O-N 3.28Å; F110-L113 PolarHBondContact O-N 2.95Å; R111-L113 VanDerWaalsContact C-N 3.31Å; R111-L113 PolarHBondContact O-N 2.91Å; L113-K116 PolarHBondContact O-N 3.14Å; L113-Q117 WeakPolarHBondContact O-CB 3.49Å; L113-Q117 VanDerWaalsContact O-CG 3.3Å; L113-Q117 WeakPolarHBondContact O-CG 3.23Å; L113-Q117 PolarHBondContact O-N 3.27Å; L113-V1074 HydrophobicContact CB-CG1 3.84Å; L113-W1078 HydrophobicContact CD1-CB 3.93Å; L113-W1078 HydrophobicContact CD1-CD2 3.85Å; L113-W1078 HydrophobicContact CD1-CE3 3.85Å; L113-W1078 HydrophobicContact CD1-CG 3.9Å; L113-W1078 HydrophobicContact CD2-CB 3.92Å; L113-W1078 VanDerWaalsContact CD2-CD1 3.47Å; L113-W1078 HydrophobicContact CD2-CD2 3.8Å; L113-W1078 HydrophobicContact CD2-CG 3.42Å; L113-W1078 VanDerWaalsContact CD2-CG 3.42Å; L113-W1078 HydrophobicContact CG-CB 4.46Å; L113-W1078 HydrophobicContact CG-CD2 4.49Å; L113-W1078 HydrophobicContact CG-CG 4.28Å
114	A	96	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.3	-41.2	-178	0	0	0	0	0	112.1	F110 R111 Q117 S118 P392 V393 A396 V1074	F110-A114 WeakPolarHBondContact O-CB 3.38Å; F110-A114 PolarHBondContact O-N 3.27Å; R111-A114 PolarHBondContact O-N 3.14Å; A114-Q117 PolarHBondContact O-N 3.17Å; A114-S118 VanDerWaalsContact O-CB 3.24Å; A114-S118 WeakPolarHBondContact O-CB 3.27Å; A114-S118 PolarHBondContact O-N 2.61Å; A114-S118 PolarHBondContact O-OG 3.33Å; A114-P392 HydrophobicContact CB-CB 3.9Å; A114-P392 HydrophobicContact CB-CG 4.1Å; A114-V393 HydrophobicContact CB-CB 4.23Å; A114-V393 HydrophobicContact CB-CG2 3.62Å; A114-A396 HydrophobicContact CB-CB 4.02Å; A114-V1074 HydrophobicContact CB-CG1 4.29Å
115	E	95.3	Very high	95	Very high	105 Å²	105	39.4 Å²	39.4	49%	0.491	19%	0.19	S	C	.	.	H	α-helix	trans	-59.7	-50.1	174.6	-75.5	171.5	-175.1	0	0	110.6	R111 Q117 S118 L119 P392	R111-E115 WeakPolarHBondContact O-CB 3.43Å; R111-E115 VanDerWaalsContact O-CG 3.29Å; R111-E115 WeakPolarHBondContact O-CG 3.28Å; R111-E115 PolarHBondContact O-N 3.32Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3Å; E115-S118 PolarHBondContact O-N 3.08Å; E115-L119 WeakPolarHBondContact O-CA 3.48Å; E115-L119 WeakPolarHBondContact O-CB 3.47Å; E115-L119 PolarHBondContact O-N 3.35Å; E115-P392 HydrophobicContact CG-CB 4.09Å; E115-P392 HydrophobicContact CG-CG 4.03Å
116	K	93.9	Very high	95.1	Very high	128 Å²	128	38.7 Å²	38.7	56%	0.557	19%	0.19	S	C	*	.	H	α-helix	trans	-58	-42.2	178.8	-174.3	-176.2	175.4	-167.3	0	112.3	I112 L113	I112-K116 VanDerWaalsContact O-CB 3.31Å; I112-K116 WeakPolarHBondContact O-CB 3.26Å; I112-K116 PolarHBondContact O-N 3.23Å; L113-K116 PolarHBondContact O-N 3.14Å
117	Q	93.9	Very high	95.1	Very high	16 Å²	16	44 Å²	44	8%	0.075	21%	0.213	C	C	.	.	H	α-helix	trans	-76.1	-28.9	-178.3	-69.8	173.2	15.2	0	0	113.6	L113 A114 E115 Y121 V1074 K1077	L113-Q117 WeakPolarHBondContact O-CB 3.49Å; L113-Q117 VanDerWaalsContact O-CG 3.3Å; L113-Q117 WeakPolarHBondContact O-CG 3.23Å; L113-Q117 PolarHBondContact O-N 3.27Å; A114-Q117 PolarHBondContact O-N 3.17Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3Å; Q117-Y121 WeakPolarHBondContact O-CE2 3.33Å; Q117-V1074 PolarHBondContact NE2-O 3.45Å; Q117-K1077 HydrophobicContact CG-CD 4.31Å
118	S	94.8	Very high	95.1	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-105.7	-19	-172.2	66.5	0	0	0	0	114.7	A114 E115 P120 Y121 L122	A114-S118 VanDerWaalsContact O-CB 3.24Å; A114-S118 WeakPolarHBondContact O-CB 3.27Å; A114-S118 PolarHBondContact O-N 2.61Å; A114-S118 PolarHBondContact O-OG 3.33Å; E115-S118 PolarHBondContact O-N 3.08Å; S118-P120 VanDerWaalsContact C-CD 3.48Å; S118-Y121 PolarHBondContact O-N 3.33Å; S118-L122 PolarHBondContact O-N 3.45Å
119	L	94.8	Very high	95	Very high	85 Å²	85	43 Å²	43	45%	0.445	21%	0.206	S	C	.	.	H	α-helix	trans	-52.7	-45.8	-176.3	179.9	66.8	0	0	0	113.6	E115 Y121 L122 E123	E115-L119 WeakPolarHBondContact O-CA 3.48Å; E115-L119 WeakPolarHBondContact O-CB 3.47Å; E115-L119 PolarHBondContact O-N 3.35Å; L119-Y121 VanDerWaalsContact C-N 3.26Å; L119-Y121 PolarHBondContact O-N 3Å; L119-L122 PolarHBondContact O-N 3.46Å; L119-E123 HydrophobicContact CD1-CG 4.18Å; L119-E123 HydrophobicContact CG-CG 4.45Å; L119-E123 WeakPolarHBondContact O-CG 3.35Å; L119-E123 PolarHBondContact O-N 3.34Å
120	P	94.8	Very high	94.8	Very high	34 Å²	34	50.2 Å²	50.2	22%	0.221	24%	0.239	C	C	.	.	H	α-helix	trans	-60.5	-37.8	179.4	-22.4	33.5	0	0	0	112.8	S118 A124 E234	S118-P120 VanDerWaalsContact C-CD 3.48Å; P120-A124 WeakPolarHBondContact O-CB 3.26Å; P120-A124 PolarHBondContact O-N 2.79Å; P120-A124 VanDerWaalsContact O-N 3.09Å; P120-E234 HydrophobicContact CB-CB 4.17Å; P120-E234 HydrophobicContact CB-CG 4.42Å; P120-E234 WeakPolarHBondContact CB-OE2 3.45Å; P120-E234 VanDerWaalsContact CG-OE2 3.3Å; P120-E234 WeakPolarHBondContact CG-OE2 3.42Å
121	Y	96.3	Very high	94.4	Very high	8 Å²	8	51.5 Å²	51.5	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-75.6	-35.1	178	-53.5	-75.1	0	0	0	111.9	Q117 S118 L119 A124 A125 E234 R235 L236 N259 R261 L399	Q117-Y121 WeakPolarHBondContact O-CE2 3.33Å; S118-Y121 PolarHBondContact O-N 3.33Å; L119-Y121 VanDerWaalsContact C-N 3.26Å; L119-Y121 PolarHBondContact O-N 3Å; Y121-A124 PolarHBondContact O-N 3.29Å; Y121-A125 WeakPolarHBondContact O-CB 3.38Å; Y121-A125 PolarHBondContact O-N 2.87Å; Y121-E234 HydrophobicContact CE1-CB 4.26Å; Y121-R235 WeakPolarHBondContact CE1-O 3.42Å; Y121-L236 HydrophobicContact CD1-CB 4.43Å; Y121-N259 VanDerWaalsContact CE1-O 3.24Å; Y121-N259 WeakPolarHBondContact CE1-O 3.38Å; Y121-N259 PolarHBondContact OH-O 3.17Å; Y121-R261 HydrophobicContact CD1-CB 3.87Å; Y121-R261 HydrophobicContact CD1-CG 4.06Å; Y121-R261 HydrophobicContact CD2-CG 4.44Å; Y121-R261 HydrophobicContact CE1-CB 3.69Å; Y121-R261 HydrophobicContact CE1-CG 3.48Å; Y121-R261 VanDerWaalsContact CE1-CG 3.48Å; Y121-R261 HydrophobicContact CE2-CG 3.92Å; Y121-R261 HydrophobicContact CG-CB 4.44Å; Y121-R261 HydrophobicContact CG-CG 4.5Å; Y121-L399 HydrophobicContact CD2-CD1 3.99Å; Y121-L399 HydrophobicContact CG-CD1 4.07Å
122	L	94.7	Very high	94	Very high	47 Å²	47	53.6 Å²	53.6	25%	0.246	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-42.7	174.9	-173.2	64.6	0	0	0	111.1	S118 L119 A124 A125 S126 M386 F395	S118-L122 PolarHBondContact O-N 3.45Å; L119-L122 PolarHBondContact O-N 3.46Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.62Å; L122-A125 WeakPolarHBondContact O-CB 3.32Å; L122-A125 PolarHBondContact O-N 2.68Å; L122-S126 WeakPolarHBondContact O-CB 3.48Å; L122-S126 PolarHBondContact O-N 3.07Å; L122-S126 PolarHBondContact O-OG 3.09Å; L122-S126 VanDerWaalsContact O-OG 3.13Å; L122-M386 HydrophobicContact CD1-CE 4.24Å; L122-F395 HydrophobicContact CB-CE1 4.1Å; L122-F395 HydrophobicContact CD1-CE1 4.28Å; L122-F395 HydrophobicContact CD1-CZ 4.35Å
123	E	95	Very high	93.5	Very high	98 Å²	98	53.5 Å²	53.5	46%	0.458	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-40.9	173.2	-73.3	-175.8	-174.5	0	0	111.8	L119 S126 K127	L119-E123 HydrophobicContact CD1-CG 4.18Å; L119-E123 HydrophobicContact CG-CG 4.45Å; L119-E123 WeakPolarHBondContact O-CG 3.35Å; L119-E123 PolarHBondContact O-N 3.34Å; E123-S126 PolarHBondContact O-N 2.82Å; E123-K127 WeakPolarHBondContact O-CB 3.38Å; E123-K127 VanDerWaalsContact O-CG 3.28Å; E123-K127 WeakPolarHBondContact O-CG 3.07Å; E123-K127 PolarHBondContact O-N 3.06Å
124	A	94.9	Very high	93.3	Very high	4 Å²	4	54 Å²	54	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-44.6	174.6	0	0	0	0	0	111.6	P120 Y121 L122 K127 L128 A165 L236	P120-A124 WeakPolarHBondContact O-CB 3.26Å; P120-A124 PolarHBondContact O-N 2.79Å; P120-A124 VanDerWaalsContact O-N 3.09Å; Y121-A124 PolarHBondContact O-N 3.29Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.62Å; A124-K127 PolarHBondContact O-N 2.82Å; A124-L128 PolarHBondContact O-N 2.81Å; A124-L128 VanDerWaalsContact O-N 3.08Å; A124-A165 HydrophobicContact CB-CB 4.09Å; A124-A165 WeakPolarHBondContact O-CB 3.46Å; A124-L236 HydrophobicContact CB-CB 4.08Å
125	A	94.9	Very high	93	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-47	175.1	0	0	0	0	0	112	Y121 L122 K127 L128 Q129 L236 M263 F378 L382	Y121-A125 WeakPolarHBondContact O-CB 3.38Å; Y121-A125 PolarHBondContact O-N 2.87Å; L122-A125 WeakPolarHBondContact O-CB 3.32Å; L122-A125 PolarHBondContact O-N 2.68Å; A125-K127 PolarHBondContact O-N 3.06Å; A125-L128 PolarHBondContact O-N 2.83Å; A125-Q129 WeakPolarHBondContact O-CB 3.41Å; A125-Q129 PolarHBondContact O-N 2.85Å; A125-L236 HydrophobicContact CB-CD2 3.54Å; A125-M263 HydrophobicContact CB-CE 4.21Å; A125-F378 HydrophobicContact CB-CZ 4.08Å; A125-L382 HydrophobicContact CB-CD2 3.93Å
126	S	93.9	Very high	92.9	Very high	36 Å²	36	54.8 Å²	54.8	25%	0.252	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-38.2	179.3	-64.7	0	0	0	0	112.4	L122 E123 L128 Q129 Q130	L122-S126 WeakPolarHBondContact O-CB 3.48Å; L122-S126 PolarHBondContact O-N 3.07Å; L122-S126 PolarHBondContact O-OG 3.09Å; L122-S126 VanDerWaalsContact O-OG 3.13Å; E123-S126 PolarHBondContact O-N 2.82Å; S126-L128 VanDerWaalsContact C-N 3.32Å; S126-L128 PolarHBondContact O-N 3.11Å; S126-Q129 PolarHBondContact O-N 3.14Å; S126-Q130 WeakPolarHBondContact O-CB 3.33Å; S126-Q130 VanDerWaalsContact O-CG 3.28Å; S126-Q130 WeakPolarHBondContact O-CG 3.3Å; S126-Q130 PolarHBondContact O-N 3.25Å
127	K	93.5	Very high	92.8	Very high	115 Å²	115	49.5 Å²	49.5	50%	0.5	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-41.3	173.1	-75.4	170.7	-172.6	167.8	0	111.7	E123 A124 A125 A131	E123-K127 WeakPolarHBondContact O-CB 3.38Å; E123-K127 VanDerWaalsContact O-CG 3.28Å; E123-K127 WeakPolarHBondContact O-CG 3.07Å; E123-K127 PolarHBondContact O-N 3.06Å; A124-K127 PolarHBondContact O-N 2.82Å; A125-K127 PolarHBondContact O-N 3.06Å; K127-A131 VanDerWaalsContact O-CB 3.31Å; K127-A131 WeakPolarHBondContact O-CB 3.5Å; K127-A131 PolarHBondContact O-N 3.18Å
128	L	93.4	Very high	92.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67.6	-39.8	176.7	-173.7	65.1	0	0	0	111.7	A124 A125 S126 A165 V167 P188 V238 Q375 F378	A124-L128 PolarHBondContact O-N 2.81Å; A124-L128 VanDerWaalsContact O-N 3.08Å; A125-L128 PolarHBondContact O-N 2.83Å; S126-L128 VanDerWaalsContact C-N 3.32Å; S126-L128 PolarHBondContact O-N 3.11Å; L128-A165 HydrophobicContact CB-CB 3.97Å; L128-A165 HydrophobicContact CD2-CB 4.31Å; L128-V167 HydrophobicContact CD1-CG2 4.41Å; L128-V167 HydrophobicContact CD2-CG2 3.85Å; L128-P188 HydrophobicContact CD1-CG 4.05Å; L128-V238 HydrophobicContact CD2-CB 4.47Å; L128-V238 HydrophobicContact CD2-CG2 3.93Å; L128-Q375 PolarHBondContact O-NE2 2.96Å; L128-F378 HydrophobicContact CD2-CD1 4.19Å; L128-F378 HydrophobicContact CD2-CE1 4Å; L128-F378 HydrophobicContact CG-CE1 4.41Å
129	Q	93.3	Very high	92.4	Very high	52 Å²	52	64.7 Å²	64.7	24%	0.243	34%	0.336	C	S	.	.	H	α-helix	trans	-65.9	-38.7	178.2	-170.8	-150.8	-13.2	0	0	112.9	A125 S126 T379 L382	A125-Q129 WeakPolarHBondContact O-CB 3.41Å; A125-Q129 PolarHBondContact O-N 2.85Å; S126-Q129 PolarHBondContact O-N 3.14Å; Q129-T379 HydrophobicContact CG-CG2 4.08Å; Q129-L382 HydrophobicContact CB-CD2 4.22Å; Q129-L382 HydrophobicContact CG-CD2 4.4Å
130	Q	91.1	Very high	92.3	Very high	152 Å²	152	60.9 Å²	60.9	71%	0.71	32%	0.316	S	S	*	.	H	α-helix	trans	-86.2	-13.1	-175.8	-69.2	173.4	8.6	0	0	113.9	S126	S126-Q130 WeakPolarHBondContact O-CB 3.33Å; S126-Q130 VanDerWaalsContact O-CG 3.28Å; S126-Q130 WeakPolarHBondContact O-CG 3.3Å; S126-Q130 PolarHBondContact O-N 3.25Å
131	A	89.1	Confident	92.3	Very high	26 Å²	26	60.3 Å²	60.3	22%	0.215	31%	0.313	C	S	.	.	S	Bend	trans	-81.2	134.9	-177.8	0	0	0	0	0	111.3	K127 P188	K127-A131 VanDerWaalsContact O-CB 3.31Å; K127-A131 WeakPolarHBondContact O-CB 3.5Å; K127-A131 PolarHBondContact O-N 3.18Å; A131-P188 HydrophobicContact CB-CB 3.65Å; A131-P188 HydrophobicContact CB-CG 4.39Å
132	D	87.1	Confident	92.1	Very high	148 Å²	148	64.7 Å²	64.7	79%	0.791	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-72.6	130	166.4	-66.6	-43.4	0	0	0	108.9
133	P	86.8	Confident	92	Very high	63 Å²	63	66.8 Å²	66.8	41%	0.409	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-63.7	135.1	-178.5	25.7	-33	0	0	0	110.3	L186	P133-L186 HydrophobicContact CB-CD2 4.27Å
134	P	91.6	Very high	91.8	Very high	14 Å²	14	63.9 Å²	63.9	9%	0.091	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-59.6	153.7	173.8	24.8	-35.1	0	0	0	111.3	M136 L186 W191	P134-M136 PolarHBondContact O-N 3.33Å; P134-L186 HydrophobicContact CG-CD1 3.85Å; P134-W191 PolarHBondContact O-NE1 2.85Å
135	P	90.8	Very high	91.7	Very high	84 Å²	84	64.6 Å²	64.6	55%	0.545	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-58.9	132.2	178.8	25.6	-34	0	0	0	110.5
136	M	92.8	Very high	91.8	Very high	36 Å²	36	64.7 Å²	64.7	18%	0.177	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-64	136.4	179.1	-169.7	-179.8	-68.1	0	0	110.5	P134 W140 W191 Q365 A368 L369 E372	P134-M136 PolarHBondContact O-N 3.33Å; M136-W140 HydrophobicContact CG-CZ2 4.08Å; M136-W191 HydrophobicContact CB-CZ2 4.41Å; M136-W191 HydrophobicContact CE-CH2 3.9Å; M136-W191 HydrophobicContact CE-CZ2 3.91Å; M136-W191 HydrophobicContact CG-CZ2 4.37Å; M136-Q365 PolarHBondContact SD-NE2 2.94Å; M136-A368 HydrophobicContact CE-CB 4.05Å; M136-A368 HydrophobicContact SD-CB 4Å; M136-L369 HydrophobicContact CE-CD2 4.12Å; M136-E372 HydrophobicContact CE-CB 4.33Å; M136-E372 WeakPolarHBondContact CE-OE2 2.92Å
137	P	92	Very high	91.9	Very high	18 Å²	18	63.1 Å²	63.1	12%	0.117	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-65	143.2	176.6	27.4	-34.4	0	0	0	110.9	W140 Y149	P137-W140 HydrophobicContact CG-CD2 4.03Å; P137-W140 HydrophobicContact CG-CE3 3.85Å; P137-W140 HydrophobicContact CG-CH2 3.4Å; P137-W140 HydrophobicContact CG-CZ2 3.53Å; P137-W140 HydrophobicContact CG-CZ3 3.56Å; P137-Y149 HydrophobicContact CB-CD1 3.99Å; P137-Y149 HydrophobicContact CB-CG 4.18Å; P137-Y149 HydrophobicContact CG-CD1 4.33Å; P137-Y149 HydrophobicContact CG-CD2 4.36Å; P137-Y149 HydrophobicContact CG-CG 4.13Å
138	Q	87.5	Confident	92	Very high	186 Å²	186	61 Å²	61	87%	0.869	31%	0.313	S	S	*	.	S	Bend	trans	-81.6	-26	178.8	-64.8	-65.8	-32.4	0	0	112.7
139	E	91.3	Very high	92.1	Very high	152 Å²	152	61.5 Å²	61.5	71%	0.71	32%	0.315	S	S	*	.	S	Bend	trans	-135.9	129.2	179.9	-172.9	176.6	-173.1	0	0	109.4
140	W	93.8	Very high	91.9	Very high	5 Å²	5	59.8 Å²	59.8	2%	0.019	31%	0.311	C	S	.	.			trans	-94	137.5	-179.5	-60.6	92.2	0	0	0	110.7	M136 P137 Y149 V184 W191 F360 Q361 M364 A368	M136-W140 HydrophobicContact CG-CZ2 4.08Å; P137-W140 HydrophobicContact CG-CD2 4.03Å; P137-W140 HydrophobicContact CG-CE3 3.85Å; P137-W140 HydrophobicContact CG-CH2 3.4Å; P137-W140 HydrophobicContact CG-CZ2 3.53Å; P137-W140 HydrophobicContact CG-CZ3 3.56Å; W140-Y149 HydrophobicContact CE3-CD2 4.46Å; W140-Y149 AromaticContact CE3-CE2 3.79Å; W140-Y149 HydrophobicContact CE3-CE2 3.79Å; W140-Y149 AromaticContact CE3-CZ 3.95Å; W140-Y149 HydrophobicContact CZ3-CD2 4.2Å; W140-Y149 AromaticContact CZ3-CE2 3.88Å; W140-Y149 HydrophobicContact CZ3-CE2 3.88Å; W140-V184 HydrophobicContact CH2-CG1 4.32Å; W140-W191 HydrophobicContact CH2-CD2 4.41Å; W140-W191 AromaticContact CH2-CE3 3.94Å; W140-W191 HydrophobicContact CH2-CE3 3.94Å; W140-F360 HydrophobicContact CB-CE1 4.06Å; W140-F360 HydrophobicContact CB-CZ 4.28Å; W140-Q361 PolarHBondContact O-NE2 2.87Å; W140-M364 HydrophobicContact CB-CB 4.02Å; W140-M364 HydrophobicContact CB-CE 4.48Å; W140-M364 HydrophobicContact CB-CG 4.13Å; W140-M364 HydrophobicContact CD2-CB 4.09Å; W140-M364 HydrophobicContact CD2-CE 3.95Å; W140-M364 HydrophobicContact CE3-CE 3.73Å; W140-M364 HydrophobicContact CG-CB 3.62Å; W140-M364 HydrophobicContact CG-CE 4.29Å; W140-M364 HydrophobicContact CG-CG 4.23Å; W140-M364 HydrophobicContact CZ3-CE 4.27Å; W140-A368 HydrophobicContact CH2-CB 3.68Å; W140-A368 HydrophobicContact CZ2-CB 3.3Å
141	S	93.6	Very high	91.6	Very high	23 Å²	23	56.7 Å²	56.7	16%	0.161	30%	0.304	C	S	.	.			trans	-71.3	130.4	-180	178.8	0	0	0	0	111.7	E143 Y149	S141-E143 PolarHBondContact O-N 2.97Å; S141-E143 WeakPolarHBondContact OG-CG 3.06Å; S141-Y149 VanDerWaalsContact CB-OH 3.24Å; S141-Y149 WeakPolarHBondContact CB-OH 3.27Å; S141-Y149 PolarHBondContact N-OH 3.46Å
142	W	92.9	Very high	91.1	Very high	100 Å²	100	58.8 Å²	58.8	38%	0.379	33%	0.329	S	S	.	.			trans	-90.3	68	173.3	-173.6	-93.4	0	0	0	110.6	L199 I200 R357 F360	W142-L199 HydrophobicContact CH2-CD1 3.96Å; W142-L199 HydrophobicContact CH2-CD2 4.07Å; W142-L199 HydrophobicContact CH2-CG 3.68Å; W142-L199 HydrophobicContact CZ2-CG 4.33Å; W142-L199 HydrophobicContact CZ3-CD2 3.97Å; W142-L199 HydrophobicContact CZ3-CG 4.1Å; W142-I200 HydrophobicContact CD2-CG1 4.29Å; W142-I200 HydrophobicContact CZ2-CG1 4.19Å; W142-R357 HydrophobicContact CH2-CB 4.03Å; W142-R357 HydrophobicContact CH2-CG 3.81Å; W142-R357 HydrophobicContact CZ2-CG 4.18Å; W142-F360 HydrophobicContact CB-CE1 4.4Å; W142-F360 HydrophobicContact CE3-CB 3.89Å; W142-F360 AromaticContact CE3-CD1 3.42Å; W142-F360 HydrophobicContact CE3-CD1 3.42Å; W142-F360 VanDerWaalsContact CE3-CD1 3.42Å; W142-F360 AromaticContact CE3-CD2 3.45Å; W142-F360 HydrophobicContact CE3-CD2 3.45Å; W142-F360 VanDerWaalsContact CE3-CD2 3.45Å; W142-F360 AromaticContact CE3-CE1 3.65Å; W142-F360 HydrophobicContact CE3-CE1 3.65Å; W142-F360 AromaticContact CE3-CE2 3.63Å; W142-F360 HydrophobicContact CE3-CE2 3.63Å; W142-F360 AromaticContact CE3-CG 3.28Å; W142-F360 HydrophobicContact CE3-CG 3.28Å; W142-F360 AromaticContact CE3-CZ 3.73Å; W142-F360 HydrophobicContact CE3-CZ 3.73Å; W142-F360 HydrophobicContact CH2-CB 4.44Å; W142-F360 HydrophobicContact CH2-CD2 4.46Å; W142-F360 HydrophobicContact CZ3-CB 3.43Å; W142-F360 VanDerWaalsContact CZ3-CB 3.43Å; W142-F360 AromaticContact CZ3-CD1 3.88Å; W142-F360 HydrophobicContact CZ3-CD1 3.88Å; W142-F360 AromaticContact CZ3-CD2 3.21Å; W142-F360 HydrophobicContact CZ3-CD2 3.21Å; W142-F360 HydrophobicContact CZ3-CE1 4.41Å; W142-F360 AromaticContact CZ3-CE2 3.79Å; W142-F360 HydrophobicContact CZ3-CE2 3.79Å; W142-F360 AromaticContact CZ3-CG 3.21Å; W142-F360 HydrophobicContact CZ3-CG 3.21Å; W142-F360 HydrophobicContact CZ3-CZ 4.35Å
143	E	92.1	Very high	90.8	Very high	91 Å²	91	54.7 Å²	54.7	43%	0.425	32%	0.321	S	S	.	.			trans	-133	144	-178.5	-74.1	-170	-160.7	0	0	112.8	S141 G145 C195	S141-E143 PolarHBondContact O-N 2.97Å; S141-E143 WeakPolarHBondContact OG-CG 3.06Å; E143-G145 PolarHBondContact O-N 3.01Å; E143-C195 WeakPolarHBondContact O-CB 3.5Å
144	V	91.9	Very high	90.8	Very high	36 Å²	36	59.2 Å²	59.2	22%	0.218	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-68	130.4	179	170.2	0	0	0	0	111	K157 K197 I200	V144-K157 WeakPolarHBondContact O-CE 3.46Å; V144-K157 PolarHBondContact O-NZ 2.95Å; V144-K197 HydrophobicContact CG1-CD 4.32Å; V144-K197 HydrophobicContact CG1-CG 3.44Å; V144-K197 VanDerWaalsContact CG1-CG 3.44Å; V144-K197 HydrophobicContact CG2-CG 4.43Å; V144-I200 HydrophobicContact CB-CD1 4.39Å; V144-I200 HydrophobicContact CG2-CB 3.91Å; V144-I200 HydrophobicContact CG2-CD1 3.71Å; V144-I200 HydrophobicContact CG2-CG1 4.33Å; V144-I200 HydrophobicContact CG2-CG2 4.1Å; V144-I200 VanDerWaalsContact N-CD1 3.28Å
145	G	93.3	Very high	90.8	Very high	19 Å²	19	62.3 Å²	62.3	20%	0.196	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	93.7	-156.7	178.4	0	0	0	0	0	112.2	E143 W194 C195	E143-G145 PolarHBondContact O-N 3.01Å; G145-W194 VanDerWaalsContact O-CA 3.32Å; G145-W194 WeakPolarHBondContact O-CA 3.26Å; G145-C195 PolarHBondContact N-O 2.96Å; G145-C195 PolarHBondContact O-N 3.16Å
146	W	95.8	Very high	91	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.008	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	134.2	-177.4	-73.8	106.7	0	0	0	112.8	V158 P161 F168 A185 S193 W194 I216 P217 L218	W146-V158 HydrophobicContact CB-CG2 3.69Å; W146-V158 WeakPolarHBondContact CB-O 3.24Å; W146-V158 PolarHBondContact O-N 2.93Å; W146-P161 HydrophobicContact CD2-CG 4.42Å; W146-P161 HydrophobicContact CE3-CG 4.43Å; W146-P161 HydrophobicContact CH2-CG 4.43Å; W146-P161 HydrophobicContact CZ2-CG 4.44Å; W146-P161 HydrophobicContact CZ3-CG 4.45Å; W146-F168 HydrophobicContact CH2-CD2 4.12Å; W146-F168 AromaticContact CH2-CE2 3.64Å; W146-F168 HydrophobicContact CH2-CE2 3.64Å; W146-F168 HydrophobicContact CZ2-CE2 4.01Å; W146-A185 HydrophobicContact CH2-CB 4.07Å; W146-A185 HydrophobicContact CZ3-CB 4.09Å; W146-S193 WeakPolarHBondContact CA-O 3.37Å; W146-W194 AromaticContact CD1-CD1 3.66Å; W146-W194 HydrophobicContact CD2-CB 3.78Å; W146-W194 AromaticContact CD2-CD1 3.85Å; W146-W194 HydrophobicContact CD2-CG 4.2Å; W146-W194 AromaticContact CE2-CD1 3.74Å; W146-W194 HydrophobicContact CE3-CB 3.69Å; W146-W194 HydrophobicContact CG-CB 4.48Å; W146-W194 AromaticContact CG-CD1 3.82Å; W146-W194 HydrophobicContact CH2-CB 4.03Å; W146-W194 HydrophobicContact CZ2-CB 4.08Å; W146-W194 HydrophobicContact CZ2-CG 4.44Å; W146-W194 HydrophobicContact CZ3-CB 3.82Å; W146-W194 AromaticContact NE1-CD1 3.6Å; W146-I216 HydrophobicContact CH2-CG2 4.41Å; W146-I216 HydrophobicContact CZ2-CG2 3.37Å; W146-P217 PolarHBondContact NE1-O 2.96Å; W146-L218 HydrophobicContact CH2-CD2 4.12Å; W146-L218 HydrophobicContact CZ2-CD2 3.41Å; W146-L218 VanDerWaalsContact CZ2-CD2 3.41Å
147	T	96.3	Very high	91.1	Very high	4 Å²	4	67.2 Å²	67.2	3%	0.025	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.7	168.4	-57.7	0	0	0	0	109	Y149 Y192 S193	T147-Y149 HydrophobicContact CG2-CE1 4.08Å; T147-Y149 HydrophobicContact CG2-CE2 4.11Å; T147-Y149 WeakPolarHBondContact O-CE2 3.4Å; T147-Y192 VanDerWaalsContact O-CA 3.29Å; T147-Y192 WeakPolarHBondContact O-CA 3.33Å; T147-S193 PolarHBondContact N-O 3.32Å; T147-S193 PolarHBondContact O-N 3.48Å
148	R	95.8	Very high	91.2	Very high	70 Å²	70	67.5 Å²	67.5	26%	0.264	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137	175.2	-177.8	176.8	71.4	172.9	4.1	110.1	S155 Q156 V158 N190 Y192	R148-S155 CarbonylContact O-C 3.53Å; R148-S155 VanDerWaalsContact O-CA 3.28Å; R148-S155 WeakPolarHBondContact O-CA 3.32Å; R148-Q156 PolarHBondContact N-O 3.21Å; R148-Q156 PolarHBondContact O-N 2.88Å; R148-V158 HydrophobicContact CB-CG1 4.07Å; R148-V158 HydrophobicContact CB-CG2 4.31Å; R148-N190 HydrophobicContact CG-CB 3.94Å; R148-Y192 HydrophobicContact CB-CD1 3.86Å; R148-Y192 HydrophobicContact CB-CE1 3.51Å; R148-Y192 WeakPolarHBondContact CD-OH 3.48Å; R148-Y192 HydrophobicContact CG-CD1 4.12Å; R148-Y192 HydrophobicContact CG-CE1 3.45Å; R148-Y192 VanDerWaalsContact CG-CE1 3.45Å
149	Y	94.9	Very high	91.3	Very high	11 Å²	11	63.6 Å²	63.6	4%	0.043	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.6	173.8	-51.1	-93.7	0	0	0	109.9	P137 W140 S141 T147 E154 N190 W191 S193	P137-Y149 HydrophobicContact CB-CD1 3.99Å; P137-Y149 HydrophobicContact CB-CG 4.18Å; P137-Y149 HydrophobicContact CG-CD1 4.33Å; P137-Y149 HydrophobicContact CG-CD2 4.36Å; P137-Y149 HydrophobicContact CG-CG 4.13Å; W140-Y149 HydrophobicContact CE3-CD2 4.46Å; W140-Y149 AromaticContact CE3-CE2 3.79Å; W140-Y149 HydrophobicContact CE3-CE2 3.79Å; W140-Y149 AromaticContact CE3-CZ 3.95Å; W140-Y149 HydrophobicContact CZ3-CD2 4.2Å; W140-Y149 AromaticContact CZ3-CE2 3.88Å; W140-Y149 HydrophobicContact CZ3-CE2 3.88Å; S141-Y149 VanDerWaalsContact CB-OH 3.24Å; S141-Y149 WeakPolarHBondContact CB-OH 3.27Å; S141-Y149 PolarHBondContact N-OH 3.46Å; T147-Y149 HydrophobicContact CG2-CE1 4.08Å; T147-Y149 HydrophobicContact CG2-CE2 4.11Å; T147-Y149 WeakPolarHBondContact O-CE2 3.4Å; Y149-E154 WeakPolarHBondContact CA-O 3.24Å; Y149-N190 WeakPolarHBondContact O-CA 3.39Å; Y149-N190 WeakPolarHBondContact O-CB 3.44Å; Y149-W191 HydrophobicContact CD2-CB 4.22Å; Y149-W191 PolarHBondContact N-O 2.92Å; Y149-W191 PolarHBondContact O-N 3.28Å; Y149-W191 VanDerWaalsContact O-N 3.09Å; Y149-S193 VanDerWaalsContact CE2-OG 3.26Å; Y149-S193 WeakPolarHBondContact CE2-OG 3.46Å; Y149-S193 PolarHBondContact OH-OG 3.46Å
150	G	89.4	Confident	91.4	Very high	16 Å²	16	57.7 Å²	57.7	17%	0.165	33%	0.331	C	S	.	.			trans	-83.1	166.9	177.1	0	0	0	0	0	113	G152 G153 E154	G150-G152 PolarHBondContact O-N 3.47Å; G150-G152 VanDerWaalsContact O-N 3.13Å; G150-G153 PolarHBondContact O-N 2.96Å; G150-E154 PolarHBondContact N-O 3.41Å
151	P	84.1	Confident	91.4	Very high	87 Å²	87	57.4 Å²	57.4	57%	0.565	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.8	-179.1	24.7	-33.9	0	0	0	113.9	G153	P151-G153 VanDerWaalsContact C-N 3.32Å
152	G	78.9	Confident	91.2	Very high	70 Å²	70	60.7 Å²	60.7	72%	0.722	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	1.4	173.7	0	0	0	0	0	114.8	G150 E154	G150-G152 PolarHBondContact O-N 3.47Å; G150-G152 VanDerWaalsContact O-N 3.13Å; G152-E154 VanDerWaalsContact C-N 3.34Å
153	G	80.6	Confident	91.1	Very high	62 Å²	62	57.3 Å²	57.3	64%	0.639	33%	0.334	S	S	*	.	S	Bend	trans	82.6	5.5	-175.3	0	0	0	0	0	114.7	G150 P151	G150-G153 PolarHBondContact O-N 2.96Å; P151-G153 VanDerWaalsContact C-N 3.32Å
154	E	87.5	Confident	91.1	Very high	158 Å²	158	54.8 Å²	54.8	74%	0.738	33%	0.326	S	S	*	.			trans	-69.5	129.9	175.3	-62.9	178.9	-177.8	0	0	110.7	Y149 G150 G152	Y149-E154 WeakPolarHBondContact CA-O 3.24Å; G150-E154 PolarHBondContact N-O 3.41Å; G152-E154 VanDerWaalsContact C-N 3.34Å
155	S	91.9	Very high	91.2	Very high	79 Å²	79	53.1 Å²	53.1	55%	0.552	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.6	173.6	61.5	0	0	0	0	111.3	R148	R148-S155 CarbonylContact O-C 3.53Å; R148-S155 VanDerWaalsContact O-CA 3.28Å; R148-S155 WeakPolarHBondContact O-CA 3.32Å
156	Q	94.2	Very high	91.3	Very high	103 Å²	103	52.2 Å²	52.2	48%	0.481	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.9	179	-176.2	-179.8	4.3	0	0	111.3	R148	R148-Q156 PolarHBondContact N-O 3.21Å; R148-Q156 PolarHBondContact O-N 2.88Å
157	K	94.3	Very high	91.4	Very high	119 Å²	119	52.1 Å²	52.1	52%	0.517	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	131.8	171.9	-171.4	170	-169.5	154.3	0	111.6	V144	V144-K157 WeakPolarHBondContact O-CE 3.46Å; V144-K157 PolarHBondContact O-NZ 2.95Å
158	V	94.2	Very high	91.4	Very high	25 Å²	25	52 Å²	52	15%	0.152	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	159.9	178.8	-62.3	0	0	0	0	110.4	W146 R148 Y192	W146-V158 HydrophobicContact CB-CG2 3.69Å; W146-V158 WeakPolarHBondContact CB-O 3.24Å; W146-V158 PolarHBondContact O-N 2.93Å; R148-V158 HydrophobicContact CB-CG1 4.07Å; R148-V158 HydrophobicContact CB-CG2 4.31Å; V158-Y192 HydrophobicContact CG2-CD1 4.37Å; V158-Y192 HydrophobicContact CG2-CE1 4.22Å
159	D	91.4	Very high	91.4	Very high	103 Å²	103	49.8 Å²	49.8	55%	0.551	30%	0.299	S	S	*	.	S	Bend	trans	-77.6	-37.4	176.8	-77.1	-35.1	0	0	0	112
160	F	92.8	Very high	91.4	Very high	28 Å²	28	49.3 Å²	49.3	12%	0.123	30%	0.297	C	S	.	.	S	Bend	trans	-164.4	162.8	176.6	56.3	-89.7	0	0	0	109.3	L218 P221 P228	F160-L218 WeakPolarHBondContact CB-O 3.26Å; F160-L218 VanDerWaalsContact CD2-O 3.24Å; F160-L218 WeakPolarHBondContact CD2-O 3.24Å; F160-P221 HydrophobicContact CE1-CG 4.3Å; F160-P228 HydrophobicContact CE1-CG 4.3Å; F160-P228 HydrophobicContact CZ-CG 3.88Å
161	P	93.1	Very high	91.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.294	C	S	.	.			trans	-68.1	141	177.3	-20.4	33.3	0	0	0	112.8	W146 L166 Y192 L218 R235	W146-P161 HydrophobicContact CD2-CG 4.42Å; W146-P161 HydrophobicContact CE3-CG 4.43Å; W146-P161 HydrophobicContact CH2-CG 4.43Å; W146-P161 HydrophobicContact CZ2-CG 4.44Å; W146-P161 HydrophobicContact CZ3-CG 4.45Å; P161-L166 HydrophobicContact CB-CD1 3.85Å; P161-L166 HydrophobicContact CB-CD2 4.04Å; P161-L166 HydrophobicContact CG-CD1 4.12Å; P161-Y192 HydrophobicContact CB-CD1 4.28Å; P161-Y192 HydrophobicContact CB-CD2 4.33Å; P161-Y192 HydrophobicContact CB-CE1 4.01Å; P161-Y192 HydrophobicContact CB-CE2 4.06Å; P161-Y192 HydrophobicContact CB-CG 4.44Å; P161-Y192 HydrophobicContact CG-CD1 4.11Å; P161-Y192 HydrophobicContact CG-CD2 4.45Å; P161-Y192 HydrophobicContact CG-CE1 4.32Å; P161-Y192 HydrophobicContact CG-CG 4.19Å; P161-L218 HydrophobicContact CG-CD2 4.21Å; P161-R235 VanDerWaalsContact O-CZ 3.26Å; P161-R235 PolarHBondContact O-NH1 3.46Å; P161-R235 VanDerWaalsContact O-NH1 3.07Å; P161-R235 PolarHBondContact O-NH2 2.99Å
162	D	89.1	Confident	92	Very high	91 Å²	91	46 Å²	46	49%	0.487	27%	0.271	S	S	.	.			trans	-89.9	-21.2	-174.1	-77.4	-40.8	0	0	0	114.1	K233	D162-K233 PolarHBondContact O-NZ 2.91Å
163	E	91.3	Very high	92.5	Very high	30 Å²	30	42.8 Å²	42.8	14%	0.14	24%	0.237	C	C	.	.			trans	-66.8	158.3	-172.6	-64	84.3	173.6	0	0	112.8	L166 S187 T189 N190 Y192 R235	E163-L166 HydrophobicContact CB-CD2 4.25Å; E163-S187 PolarHBondContact OE1-OG 2.91Å; E163-T189 PolarHBondContact OE1-OG1 3.39Å; E163-N190 PolarHBondContact OE1-ND2 2.8Å; E163-Y192 PolarHBondContact OE1-OH 2.74Å; E163-Y192 WeakPolarHBondContact OE2-CE2 3.39Å; E163-Y192 PolarHBondContact OE2-OH 2.85Å; E163-R235 PolarHBondContact O-NE 3.2Å; E163-R235 VanDerWaalsContact O-NE 3.1Å; E163-R235 PolarHBondContact O-NH2 3.29Å
164	S	91.3	Very high	92.7	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	23%	0.23	S	C	.	.	S	Bend	trans	-88.1	-12.9	-179.5	56.8	0	0	0	0	113.8	R235 L236	S164-R235 CarbonylContact O-C 3.59Å; S164-R235 WeakPolarHBondContact O-CA 3.32Å; S164-R235 WeakPolarHBondContact O-CG 3.37Å; S164-L236 PolarHBondContact O-N 2.9Å
165	A	94.7	Very high	92.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.008	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.8	179.4	0	0	0	0	0	109.5	A124 L128 L236	A124-A165 HydrophobicContact CB-CB 4.09Å; A124-A165 WeakPolarHBondContact O-CB 3.46Å; L128-A165 HydrophobicContact CB-CB 3.97Å; L128-A165 HydrophobicContact CD2-CB 4.31Å; A165-L236 WeakPolarHBondContact CA-O 3.36Å
166	L	95.9	Very high	91.6	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	139.4	-179.5	-59.3	167.4	0	0	0	109.5	P161 E163 L186 L236 I237 V238	P161-L166 HydrophobicContact CB-CD1 3.85Å; P161-L166 HydrophobicContact CB-CD2 4.04Å; P161-L166 HydrophobicContact CG-CD1 4.12Å; E163-L166 HydrophobicContact CB-CD2 4.25Å; L166-L186 CarbonylContact C-O 3.56Å; L166-L186 WeakPolarHBondContact CA-O 3.2Å; L166-L236 PolarHBondContact N-O 3Å; L166-I237 CarbonylContact O-C 3.39Å; L166-I237 WeakPolarHBondContact O-CA 3.21Å; L166-V238 PolarHBondContact O-N 3.45Å
167	V	97.1	Very high	90.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	134.7	155.6	-172.1	0	0	0	0	107.7	L128 A185 L186 V238 V371 T374 Q375	L128-V167 HydrophobicContact CD1-CG2 4.41Å; L128-V167 HydrophobicContact CD2-CG2 3.85Å; V167-A185 CarbonylContact O-C 3.6Å; V167-A185 WeakPolarHBondContact O-CA 3.44Å; V167-A185 WeakPolarHBondContact O-CB 3.41Å; V167-L186 HydrophobicContact CB-CB 4.34Å; V167-L186 PolarHBondContact N-O 3.23Å; V167-L186 PolarHBondContact O-N 3.49Å; V167-V238 CarbonylContact C-O 3.47Å; V167-V238 VanDerWaalsContact CA-O 3.25Å; V167-V238 WeakPolarHBondContact CA-O 3.31Å; V167-V238 HydrophobicContact CG2-CB 4.33Å; V167-V371 HydrophobicContact CB-CG1 4Å; V167-V371 HydrophobicContact CG1-CG1 3.87Å; V167-T374 HydrophobicContact CG1-CG2 3.69Å; V167-Q375 HydrophobicContact CG2-CB 3.93Å; V167-Q375 HydrophobicContact CG2-CG 4.39Å
168	F	96.5	Very high	90.1	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	136.9	-169.8	179.5	-115.5	0	0	0	110.9	W146 V170 A183 A185 I216 L218 I237 V238 D245 I249	W146-F168 HydrophobicContact CH2-CD2 4.12Å; W146-F168 AromaticContact CH2-CE2 3.64Å; W146-F168 HydrophobicContact CH2-CE2 3.64Å; W146-F168 HydrophobicContact CZ2-CE2 4.01Å; F168-V170 HydrophobicContact CD1-CG2 4.17Å; F168-V170 HydrophobicContact CE1-CG2 3.29Å; F168-V170 HydrophobicContact CE2-CG2 4Å; F168-V170 HydrophobicContact CZ-CG2 3.2Å; F168-A183 HydrophobicContact CE2-CB 3.68Å; F168-A183 HydrophobicContact CZ-CB 4.08Å; F168-A185 HydrophobicContact CD2-CB 3.98Å; F168-I216 HydrophobicContact CZ-CD1 3.83Å; F168-I216 HydrophobicContact CZ-CG2 4.21Å; F168-L218 HydrophobicContact CE1-CD1 4.44Å; F168-I237 HydrophobicContact CB-CG2 3.72Å; F168-I237 HydrophobicContact CD1-CG2 4.28Å; F168-I237 HydrophobicContact CG-CG2 4.41Å; F168-V238 PolarHBondContact N-O 3.05Å; F168-D245 HydrophobicContact CD1-CB 4.04Å; F168-D245 HydrophobicContact CE1-CB 4.16Å; F168-I249 HydrophobicContact CD1-CD1 4.49Å; F168-I249 HydrophobicContact CE1-CD1 4.16Å; F168-I249 HydrophobicContact CE1-CG1 4.03Å
169	D	96.4	Very high	89.8	Confident	23 Å²	23	33.3 Å²	33.3	12%	0.123	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.4	177.4	-173.6	72.3	0	0	0	110.2	A183 V184 V371	D169-A183 VanDerWaalsContact O-CA 3.27Å; D169-A183 WeakPolarHBondContact O-CA 3.46Å; D169-A183 WeakPolarHBondContact O-CB 3.34Å; D169-V184 PolarHBondContact N-O 3.39Å; D169-V184 VanDerWaalsContact N-O 3.12Å; D169-V184 PolarHBondContact O-N 3.11Å; D169-V184 VanDerWaalsContact O-N 3.07Å; D169-V371 HydrophobicContact CB-CG2 3.53Å
170	V	94.8	Very high	89.8	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131.5	-176.7	-176.5	0	0	0	0	110.9	F168 P180 A183 I216 D245 F248	F168-V170 HydrophobicContact CD1-CG2 4.17Å; F168-V170 HydrophobicContact CE1-CG2 3.29Å; F168-V170 HydrophobicContact CE2-CG2 4Å; F168-V170 HydrophobicContact CZ-CG2 3.2Å; V170-P180 HydrophobicContact CG1-CB 3.8Å; V170-A183 HydrophobicContact CB-CB 4.43Å; V170-A183 HydrophobicContact CG1-CB 4.5Å; V170-A183 HydrophobicContact CG2-CB 3.92Å; V170-I216 HydrophobicContact CB-CD1 4.45Å; V170-I216 HydrophobicContact CG1-CD1 3.85Å; V170-I216 HydrophobicContact CG2-CD1 3.67Å; V170-D245 HydrophobicContact CG2-CB 4.21Å; V170-D245 PolarHBondContact N-OD1 3.35Å; V170-F248 HydrophobicContact CB-CD2 4.21Å; V170-F248 HydrophobicContact CG1-CB 4.18Å; V170-F248 HydrophobicContact CG1-CD2 3.87Å; V170-F248 HydrophobicContact CG1-CG 4.1Å
171	E	94.3	Very high	89.8	Confident	22 Å²	22	27.3 Å²	27.3	10%	0.103	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.5	174.2	-75.1	-66.9	-179.7	0	0	112.7	T181 L182 F348	E171-T181 WeakPolarHBondContact O-CB 3.24Å; E171-T181 PolarHBondContact O-N 3.01Å; E171-L182 PolarHBondContact N-O 3.27Å; E171-L182 PolarHBondContact O-N 2.87Å; E171-F348 HydrophobicContact CB-CD1 4.12Å; E171-F348 HydrophobicContact CB-CD2 4.07Å; E171-F348 HydrophobicContact CB-CE1 3.93Å; E171-F348 HydrophobicContact CB-CE2 3.87Å; E171-F348 HydrophobicContact CB-CG 4.2Å; E171-F348 HydrophobicContact CB-CZ 3.79Å; E171-F348 HydrophobicContact CG-CD2 4.01Å; E171-F348 HydrophobicContact CG-CE2 3.81Å; E171-F348 HydrophobicContact CG-CZ 4.2Å
172	V	91.3	Very high	89.8	Confident	11 Å²	11	27.3 Å²	27.3	7%	0.067	16%	0.157	C	C	.	.			trans	-130.1	126.7	-174.6	176.7	0	0	0	0	109.9	T174 F244 F248	V172-T174 PolarHBondContact O-N 3.24Å; V172-T174 VanDerWaalsContact O-N 3.15Å; V172-F244 HydrophobicContact CG2-CZ 4.21Å; V172-F248 HydrophobicContact CG2-CE1 3.92Å; V172-F248 HydrophobicContact CG2-CE2 3.94Å; V172-F248 HydrophobicContact CG2-CZ 3.59Å
173	C	89	Confident	90.2	Very high	2 Å²	2	23 Å²	23	1%	0.014	13%	0.134	C	C	.	.			trans	-75.8	97.2	171	-171.3	0	0	0	0	110.8	T175 E176 G177 T181 F348 M353	C173-T175 VanDerWaalsContact C-N 3.27Å; C173-T175 PolarHBondContact O-N 2.88Å; C173-T175 PolarHBondContact SG-OG1 3.41Å; C173-T175 VanDerWaalsContact SG-OG1 3.34Å; C173-E176 PolarHBondContact O-N 3.21Å; C173-G177 PolarHBondContact O-N 2.94Å; C173-T181 PolarHBondContact N-OG1 3.01Å; C173-T181 VanDerWaalsContact N-OG1 3.11Å; C173-F348 CarbonylContact C-O 2.94Å; C173-F348 WeakPolarHBondContact CA-O 3.45Å; C173-M353 HydrophobicContact CB-CE 3.79Å
174	T	84.9	Confident	90.4	Very high	82 Å²	82	21.5 Å²	21.5	50%	0.503	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20	-167.9	57.5	0	0	0	0	114.7	V172 F348 V349	V172-T174 PolarHBondContact O-N 3.24Å; V172-T174 VanDerWaalsContact O-N 3.15Å; T174-F348 PolarHBondContact N-O 2.89Å; T174-V349 WeakPolarHBondContact OG1-CA 3.5Å; T174-V349 PolarHBondContact OG1-O 2.85Å
175	T	81.4	Confident	90.7	Very high	74 Å²	74	19.8 Å²	19.8	45%	0.454	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-29.3	176.4	48.4	0	0	0	0	112.4	C173 G351	C173-T175 VanDerWaalsContact C-N 3.27Å; C173-T175 PolarHBondContact O-N 2.88Å; C173-T175 PolarHBondContact SG-OG1 3.41Å; C173-T175 VanDerWaalsContact SG-OG1 3.34Å; T175-G351 WeakPolarHBondContact CB-O 3.36Å; T175-G351 VanDerWaalsContact CG2-O 3.32Å; T175-G351 WeakPolarHBondContact CG2-O 3.42Å; T175-G351 PolarHBondContact OG1-O 3.32Å
176	E	75.6	Confident	90.7	Very high	63 Å²	63	19.8 Å²	19.8	29%	0.294	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-11.8	-174.2	-57.3	-75.6	-178.6	0	0	112	C173 W206 M353	C173-E176 PolarHBondContact O-N 3.21Å; E176-W206 HydrophobicContact CB-CH2 4.15Å; E176-W206 HydrophobicContact CB-CZ3 4.32Å; E176-W206 VanDerWaalsContact O-CZ3 3.25Å; E176-W206 WeakPolarHBondContact O-CZ3 3.41Å; E176-W206 WeakPolarHBondContact OE2-CH2 3.35Å; E176-M353 HydrophobicContact CB-CE 4.04Å; E176-M353 HydrophobicContact CG-CB 4.03Å; E176-M353 HydrophobicContact CG-CE 4.17Å; E176-M353 PolarHBondContact OE1-N 3.42Å
177	G	78.1	Confident	90.6	Very high	31 Å²	31	19.9 Å²	19.9	32%	0.32	12%	0.115	S	C	.	.			trans	143.9	-159.8	170.3	0	0	0	0	0	114.6	C173	C173-G177 PolarHBondContact O-N 2.94Å
178	Q	80.1	Confident	90.4	Very high	85 Å²	85	21.6 Å²	21.6	40%	0.397	13%	0.127	S	C	.	.	S	Bend	trans	-103.3	20.5	-174.9	-62.8	-176.4	-12.2	0	0	113.4	L210 F248 M772	Q178-L210 HydrophobicContact CB-CD1 4.33Å; Q178-F248 WeakPolarHBondContact O-CE1 3.39Å; Q178-M772 HydrophobicContact CB-SD 4.41Å
179	C	86.4	Confident	90.1	Very high	12 Å²	12	25 Å²	25	8%	0.081	15%	0.148	C	C	.	.	S	Bend	trans	-100.9	144.6	-175.7	-65.1	0	0	0	0	111.9	T181 R198 L210	C179-T181 PolarHBondContact O-N 3.26Å; C179-R198 PolarHBondContact SG-NH1 3.06Å; C179-R198 PolarHBondContact SG-NH2 2.85Å; C179-L210 WeakPolarHBondContact SG-CD2 3.26Å
180	P	92.1	Very high	90	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.147	C	C	.	.			trans	-61.4	134.7	178.8	26.5	-32.2	0	0	0	110.1	V170 W194 S196 D214 L215 I216 F248	V170-P180 HydrophobicContact CG1-CB 3.8Å; P180-W194 HydrophobicContact CB-CH2 4.03Å; P180-W194 HydrophobicContact CB-CZ3 3.78Å; P180-W194 HydrophobicContact CG-CH2 3.79Å; P180-W194 HydrophobicContact CG-CZ3 4.09Å; P180-S196 VanDerWaalsContact O-CB 3.24Å; P180-S196 WeakPolarHBondContact O-CB 3.14Å; P180-S196 PolarHBondContact O-OG 3.34Å; P180-D214 WeakPolarHBondContact CD-O 3.46Å; P180-D214 WeakPolarHBondContact CG-O 3.41Å; P180-L215 HydrophobicContact CG-CD2 4.49Å; P180-I216 HydrophobicContact CB-CD1 3.83Å; P180-I216 HydrophobicContact CB-CG1 3.98Å; P180-I216 HydrophobicContact CG-CD1 4.38Å; P180-I216 HydrophobicContact CG-CG1 3.99Å; P180-F248 HydrophobicContact CB-CB 4.14Å; P180-F248 HydrophobicContact CB-CD1 4.24Å; P180-F248 HydrophobicContact CB-CG 4.27Å; P180-F248 HydrophobicContact CG-CB 4.29Å; P180-F248 HydrophobicContact CG-CD1 4.3Å
181	T	91.8	Very high	90.1	Very high	5 Å²	5	25 Å²	25	3%	0.031	15%	0.147	C	C	.	.			trans	-103.9	-52.7	-177.1	-54.7	0	0	0	0	110.3	E171 C173 C179 S196 L199 M353 V356	E171-T181 WeakPolarHBondContact O-CB 3.24Å; E171-T181 PolarHBondContact O-N 3.01Å; C173-T181 PolarHBondContact N-OG1 3.01Å; C173-T181 VanDerWaalsContact N-OG1 3.11Å; C179-T181 PolarHBondContact O-N 3.26Å; T181-S196 VanDerWaalsContact O-CB 3.24Å; T181-S196 WeakPolarHBondContact O-CB 3.25Å; T181-S196 PolarHBondContact O-N 2.74Å; T181-S196 VanDerWaalsContact O-N 3.12Å; T181-L199 HydrophobicContact CG2-CD1 4.34Å; T181-M353 HydrophobicContact CG2-CE 4.23Å; T181-M353 HydrophobicContact CG2-SD 3.9Å; T181-V356 HydrophobicContact CG2-CG1 4.1Å
182	L	94.5	Very high	90.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	151	177.8	-69.2	174.1	0	0	0	109.6	E171 C195 L199 F348 V356 F360 M364	E171-L182 PolarHBondContact N-O 3.27Å; E171-L182 PolarHBondContact O-N 2.87Å; L182-C195 HydrophobicContact CD2-CB 4.27Å; L182-L199 HydrophobicContact CD1-CD2 4.39Å; L182-L199 HydrophobicContact CD2-CD2 3.38Å; L182-L199 HydrophobicContact CG-CD2 3.96Å; L182-F348 HydrophobicContact CD1-CE1 4.17Å; L182-F348 HydrophobicContact CD1-CZ 3.93Å; L182-V356 HydrophobicContact CD1-CG1 4.36Å; L182-F360 HydrophobicContact CD1-CD2 4.31Å; L182-F360 HydrophobicContact CD1-CE2 4.46Å; L182-F360 HydrophobicContact CD2-CD2 4.34Å; L182-F360 HydrophobicContact CD2-CE2 3.82Å; L182-M364 HydrophobicContact CB-SD 4.2Å; L182-M364 HydrophobicContact CD1-CG 4.34Å; L182-M364 HydrophobicContact CD1-SD 3.78Å; L182-M364 HydrophobicContact CD2-SD 3.68Å; L182-M364 HydrophobicContact CG-SD 4.08Å
183	A	96	Very high	90.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	148.5	166.7	0	0	0	0	0	110.8	F168 D169 V170 W194 I216	F168-A183 HydrophobicContact CE2-CB 3.68Å; F168-A183 HydrophobicContact CZ-CB 4.08Å; D169-A183 VanDerWaalsContact O-CA 3.27Å; D169-A183 WeakPolarHBondContact O-CA 3.46Å; D169-A183 WeakPolarHBondContact O-CB 3.34Å; V170-A183 HydrophobicContact CB-CB 4.43Å; V170-A183 HydrophobicContact CG1-CB 4.5Å; V170-A183 HydrophobicContact CG2-CB 3.92Å; A183-W194 HydrophobicContact CB-CB 4.13Å; A183-W194 HydrophobicContact CB-CE3 4.33Å; A183-W194 PolarHBondContact N-O 3.42Å; A183-W194 PolarHBondContact O-N 3.16Å; A183-I216 HydrophobicContact CB-CD1 3.65Å
184	V	96.8	Very high	90.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	139.7	175.6	179	0	0	0	0	108.4	W140 D169 W191 Y192 M364 C367 A368 V371	W140-V184 HydrophobicContact CH2-CG1 4.32Å; D169-V184 PolarHBondContact N-O 3.39Å; D169-V184 VanDerWaalsContact N-O 3.12Å; D169-V184 PolarHBondContact O-N 3.11Å; D169-V184 VanDerWaalsContact O-N 3.07Å; V184-W191 HydrophobicContact CG1-CE3 3.82Å; V184-W191 HydrophobicContact CG1-CZ3 3.71Å; V184-Y192 WeakPolarHBondContact CA-O 3.44Å; V184-M364 HydrophobicContact CG2-CE 3.53Å; V184-M364 HydrophobicContact CG2-SD 4.47Å; V184-C367 HydrophobicContact CB-CB 4.29Å; V184-C367 HydrophobicContact CG2-CB 3.56Å; V184-A368 HydrophobicContact CG1-CB 4.19Å; V184-V371 HydrophobicContact CB-CG2 3.99Å; V184-V371 HydrophobicContact CG1-CB 4.36Å; V184-V371 HydrophobicContact CG1-CG2 4.07Å
185	A	96.7	Very high	91.2	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.9	170.9	0	0	0	0	0	111.7	W146 V167 F168 Y192	W146-A185 HydrophobicContact CH2-CB 4.07Å; W146-A185 HydrophobicContact CZ3-CB 4.09Å; V167-A185 CarbonylContact O-C 3.6Å; V167-A185 WeakPolarHBondContact O-CA 3.44Å; V167-A185 WeakPolarHBondContact O-CB 3.41Å; F168-A185 HydrophobicContact CD2-CB 3.98Å; A185-Y192 HydrophobicContact CB-CD2 4.5Å; A185-Y192 PolarHBondContact N-O 3.11Å; A185-Y192 PolarHBondContact O-N 2.92Å
186	L	95.5	Very high	91.7	Very high	2 Å²	2	17 Å²	17	1%	0.01	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	127	174.9	178.3	60.3	0	0	0	109.2	P133 P134 L166 V167 W191 V371 Q375	P133-L186 HydrophobicContact CB-CD2 4.27Å; P134-L186 HydrophobicContact CG-CD1 3.85Å; L166-L186 CarbonylContact C-O 3.56Å; L166-L186 WeakPolarHBondContact CA-O 3.2Å; V167-L186 HydrophobicContact CB-CB 4.34Å; V167-L186 PolarHBondContact N-O 3.23Å; V167-L186 PolarHBondContact O-N 3.49Å; L186-W191 HydrophobicContact CB-CE3 4.3Å; L186-W191 HydrophobicContact CB-CH2 4.38Å; L186-W191 HydrophobicContact CB-CZ3 4.16Å; L186-W191 HydrophobicContact CD1-CD2 3.71Å; L186-W191 VanDerWaalsContact CD1-CE2 3.49Å; L186-W191 HydrophobicContact CD1-CE3 4.18Å; L186-W191 HydrophobicContact CD1-CG 4.1Å; L186-W191 HydrophobicContact CD1-CH2 4.26Å; L186-W191 HydrophobicContact CD1-CZ2 3.8Å; L186-W191 HydrophobicContact CD1-CZ3 4.44Å; L186-W191 HydrophobicContact CD2-CH2 4.08Å; L186-W191 HydrophobicContact CD2-CZ2 4.02Å; L186-W191 HydrophobicContact CG-CH2 4.49Å; L186-W191 HydrophobicContact CG-CZ2 4.4Å; L186-V371 HydrophobicContact CB-CG1 3.48Å; L186-V371 VanDerWaalsContact CB-CG1 3.48Å; L186-V371 HydrophobicContact CD2-CG1 4.44Å; L186-Q375 HydrophobicContact CD2-CB 4.01Å; L186-Q375 HydrophobicContact CD2-CG 3.99Å
187	S	94.6	Very high	92.3	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.007	10%	0.099	C	C	.	.			trans	-111.1	170	171.9	71.8	0	0	0	0	110	E163 T189 N190	E163-S187 PolarHBondContact OE1-OG 2.91Å; S187-T189 PolarHBondContact O-N 2.98Å; S187-T189 PolarHBondContact OG-N 2.99Å; S187-N190 PolarHBondContact N-O 3.41Å; S187-N190 WeakPolarHBondContact OG-CA 3.37Å; S187-N190 PolarHBondContact OG-N 2.98Å; S187-N190 PolarHBondContact OG-O 2.96Å
188	P	91.6	Very high	92.5	Very high	38 Å²	38	17.1 Å²	17.1	25%	0.247	9%	0.089	C	C	.	.	S	Bend	trans	-56.2	-19.2	173.1	-29.1	38.2	0	0	0	114.9	L128 A131	L128-P188 HydrophobicContact CD1-CG 4.05Å; A131-P188 HydrophobicContact CB-CB 3.65Å; A131-P188 HydrophobicContact CB-CG 4.39Å
189	T	91.4	Very high	92.8	Very high	73 Å²	73	13.1 Å²	13.1	45%	0.448	7%	0.07	S	C	.	.	S	Bend	trans	-122.6	-28.7	-170.7	46.1	0	0	0	0	114.4	E163 S187	E163-T189 PolarHBondContact OE1-OG1 3.39Å; S187-T189 PolarHBondContact O-N 2.98Å; S187-T189 PolarHBondContact OG-N 2.99Å
190	N	94.4	Very high	92.9	Very high	20 Å²	20	14.4 Å²	14.4	11%	0.107	8%	0.075	C	C	.	.			trans	-143.7	152.8	-169.5	-55.6	-70	0	0	0	112.5	R148 Y149 E163 S187 Y192	R148-N190 HydrophobicContact CG-CB 3.94Å; Y149-N190 WeakPolarHBondContact O-CA 3.39Å; Y149-N190 WeakPolarHBondContact O-CB 3.44Å; E163-N190 PolarHBondContact OE1-ND2 2.8Å; S187-N190 PolarHBondContact N-O 3.41Å; S187-N190 WeakPolarHBondContact OG-CA 3.37Å; S187-N190 PolarHBondContact OG-N 2.98Å; S187-N190 PolarHBondContact OG-O 2.96Å; N190-Y192 HydrophobicContact CB-CE2 3.79Å
191	W	95.8	Very high	92.5	Very high	3 Å²	3	18.5 Å²	18.5	1%	0.011	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	154	163.6	-78.8	92.8	0	0	0	110.6	P134 M136 W140 Y149 V184 L186 A368 V371 E372	P134-W191 PolarHBondContact O-NE1 2.85Å; M136-W191 HydrophobicContact CB-CZ2 4.41Å; M136-W191 HydrophobicContact CE-CH2 3.9Å; M136-W191 HydrophobicContact CE-CZ2 3.91Å; M136-W191 HydrophobicContact CG-CZ2 4.37Å; W140-W191 HydrophobicContact CH2-CD2 4.41Å; W140-W191 AromaticContact CH2-CE3 3.94Å; W140-W191 HydrophobicContact CH2-CE3 3.94Å; Y149-W191 HydrophobicContact CD2-CB 4.22Å; Y149-W191 PolarHBondContact N-O 2.92Å; Y149-W191 PolarHBondContact O-N 3.28Å; Y149-W191 VanDerWaalsContact O-N 3.09Å; V184-W191 HydrophobicContact CG1-CE3 3.82Å; V184-W191 HydrophobicContact CG1-CZ3 3.71Å; L186-W191 HydrophobicContact CB-CE3 4.3Å; L186-W191 HydrophobicContact CB-CH2 4.38Å; L186-W191 HydrophobicContact CB-CZ3 4.16Å; L186-W191 HydrophobicContact CD1-CD2 3.71Å; L186-W191 VanDerWaalsContact CD1-CE2 3.49Å; L186-W191 HydrophobicContact CD1-CE3 4.18Å; L186-W191 HydrophobicContact CD1-CG 4.1Å; L186-W191 HydrophobicContact CD1-CH2 4.26Å; L186-W191 HydrophobicContact CD1-CZ2 3.8Å; L186-W191 HydrophobicContact CD1-CZ3 4.44Å; L186-W191 HydrophobicContact CD2-CH2 4.08Å; L186-W191 HydrophobicContact CD2-CZ2 4.02Å; L186-W191 HydrophobicContact CG-CH2 4.49Å; L186-W191 HydrophobicContact CG-CZ2 4.4Å; W191-A368 HydrophobicContact CH2-CB 4.3Å; W191-A368 WeakPolarHBondContact CH2-O 3.48Å; W191-A368 HydrophobicContact CZ3-CB 3.89Å; W191-V371 HydrophobicContact CH2-CG1 4.35Å; W191-V371 HydrophobicContact CZ3-CB 4.27Å; W191-V371 HydrophobicContact CZ3-CG1 3.98Å; W191-E372 HydrophobicContact CH2-CB 4.13Å
192	Y	96.3	Very high	91.2	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.7	177.2	-64.6	-89.2	0	0	0	110.9	T147 R148 V158 P161 E163 V184 A185 N190	T147-Y192 VanDerWaalsContact O-CA 3.29Å; T147-Y192 WeakPolarHBondContact O-CA 3.33Å; R148-Y192 HydrophobicContact CB-CD1 3.86Å; R148-Y192 HydrophobicContact CB-CE1 3.51Å; R148-Y192 WeakPolarHBondContact CD-OH 3.48Å; R148-Y192 HydrophobicContact CG-CD1 4.12Å; R148-Y192 HydrophobicContact CG-CE1 3.45Å; R148-Y192 VanDerWaalsContact CG-CE1 3.45Å; V158-Y192 HydrophobicContact CG2-CD1 4.37Å; V158-Y192 HydrophobicContact CG2-CE1 4.22Å; P161-Y192 HydrophobicContact CB-CD1 4.28Å; P161-Y192 HydrophobicContact CB-CD2 4.33Å; P161-Y192 HydrophobicContact CB-CE1 4.01Å; P161-Y192 HydrophobicContact CB-CE2 4.06Å; P161-Y192 HydrophobicContact CB-CG 4.44Å; P161-Y192 HydrophobicContact CG-CD1 4.11Å; P161-Y192 HydrophobicContact CG-CD2 4.45Å; P161-Y192 HydrophobicContact CG-CE1 4.32Å; P161-Y192 HydrophobicContact CG-CG 4.19Å; E163-Y192 PolarHBondContact OE1-OH 2.74Å; E163-Y192 WeakPolarHBondContact OE2-CE2 3.39Å; E163-Y192 PolarHBondContact OE2-OH 2.85Å; V184-Y192 WeakPolarHBondContact CA-O 3.44Å; A185-Y192 HydrophobicContact CB-CD2 4.5Å; A185-Y192 PolarHBondContact N-O 3.11Å; A185-Y192 PolarHBondContact O-N 2.92Å; N190-Y192 HydrophobicContact CB-CE2 3.79Å
193	S	96.1	Very high	89.5	Confident	1 Å²	1	38 Å²	38	1%	0.007	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141.9	168.1	63.4	0	0	0	0	110.2	W146 T147 Y149 M364	W146-S193 WeakPolarHBondContact CA-O 3.37Å; T147-S193 PolarHBondContact N-O 3.32Å; T147-S193 PolarHBondContact O-N 3.48Å; Y149-S193 VanDerWaalsContact CE2-OG 3.26Å; Y149-S193 WeakPolarHBondContact CE2-OG 3.46Å; Y149-S193 PolarHBondContact OH-OG 3.46Å; S193-M364 VanDerWaalsContact CB-CE 3.43Å
194	W	96.1	Very high	87.8	Confident	15 Å²	15	41.2 Å²	41.2	6%	0.057	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.3	170.9	-178.1	89.6	0	0	0	110.3	G145 W146 P180 A183 I216	G145-W194 VanDerWaalsContact O-CA 3.32Å; G145-W194 WeakPolarHBondContact O-CA 3.26Å; W146-W194 AromaticContact CD1-CD1 3.66Å; W146-W194 HydrophobicContact CD2-CB 3.78Å; W146-W194 AromaticContact CD2-CD1 3.85Å; W146-W194 HydrophobicContact CD2-CG 4.2Å; W146-W194 AromaticContact CE2-CD1 3.74Å; W146-W194 HydrophobicContact CE3-CB 3.69Å; W146-W194 HydrophobicContact CG-CB 4.48Å; W146-W194 AromaticContact CG-CD1 3.82Å; W146-W194 HydrophobicContact CH2-CB 4.03Å; W146-W194 HydrophobicContact CZ2-CB 4.08Å; W146-W194 HydrophobicContact CZ2-CG 4.44Å; W146-W194 HydrophobicContact CZ3-CB 3.82Å; W146-W194 AromaticContact NE1-CD1 3.6Å; P180-W194 HydrophobicContact CB-CH2 4.03Å; P180-W194 HydrophobicContact CB-CZ3 3.78Å; P180-W194 HydrophobicContact CG-CH2 3.79Å; P180-W194 HydrophobicContact CG-CZ3 4.09Å; A183-W194 HydrophobicContact CB-CB 4.13Å; A183-W194 HydrophobicContact CB-CE3 4.33Å; A183-W194 PolarHBondContact N-O 3.42Å; A183-W194 PolarHBondContact O-N 3.16Å; W194-I216 HydrophobicContact CD2-CD1 4.29Å; W194-I216 HydrophobicContact CD2-CG1 3.85Å; W194-I216 HydrophobicContact CD2-CG2 4.3Å; W194-I216 HydrophobicContact CE3-CD1 3.95Å; W194-I216 HydrophobicContact CE3-CG1 3.83Å; W194-I216 HydrophobicContact CG-CG2 4.18Å; W194-I216 HydrophobicContact CH2-CG1 3.88Å; W194-I216 HydrophobicContact CZ2-CG1 3.88Å; W194-I216 HydrophobicContact CZ3-CD1 4.14Å; W194-I216 HydrophobicContact CZ3-CG1 3.86Å
195	C	94.7	Very high	85.9	Confident	1 Å²	1	46 Å²	46	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.1	173.3	-56.6	0	0	0	0	111.4	E143 G145 L182 I200	E143-C195 WeakPolarHBondContact O-CB 3.5Å; G145-C195 PolarHBondContact N-O 2.96Å; G145-C195 PolarHBondContact O-N 3.16Å; L182-C195 HydrophobicContact CD2-CB 4.27Å; C195-I200 HydrophobicContact CB-CD1 3.66Å; C195-I200 HydrophobicContact CB-CG1 4.42Å
196	S	91.2	Very high	84.1	Confident	7 Å²	7	53.6 Å²	53.6	5%	0.049	25%	0.25	C	S	.	.			trans	-65.8	145.5	176	-176	0	0	0	0	111.9	P180 T181 R198 L199 I200	P180-S196 VanDerWaalsContact O-CB 3.24Å; P180-S196 WeakPolarHBondContact O-CB 3.14Å; P180-S196 PolarHBondContact O-OG 3.34Å; T181-S196 VanDerWaalsContact O-CB 3.24Å; T181-S196 WeakPolarHBondContact O-CB 3.25Å; T181-S196 PolarHBondContact O-N 2.74Å; T181-S196 VanDerWaalsContact O-N 3.12Å; S196-R198 PolarHBondContact O-N 3.06Å; S196-R198 PolarHBondContact OG-N 2.7Å; S196-L199 PolarHBondContact O-N 3.07Å; S196-L199 VanDerWaalsContact O-N 3.15Å; S196-I200 PolarHBondContact O-N 3.41Å
197	K	87.5	Confident	82.5	Confident	67 Å²	67	56.2 Å²	56.2	29%	0.291	27%	0.269	S	S	.	.	H	α-helix	trans	-54.3	-37.4	169.5	-67.2	-172.6	-175.3	-173.6	0	111.8	V144 L199 I200 E201 Y204	V144-K197 HydrophobicContact CG1-CD 4.32Å; V144-K197 HydrophobicContact CG1-CG 3.44Å; V144-K197 VanDerWaalsContact CG1-CG 3.44Å; V144-K197 HydrophobicContact CG2-CG 4.43Å; K197-L199 VanDerWaalsContact C-N 3.3Å; K197-L199 PolarHBondContact O-N 2.76Å; K197-I200 PolarHBondContact O-N 2.85Å; K197-E201 WeakPolarHBondContact O-CB 3.29Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 2.66Å; K197-Y204 HydrophobicContact CB-CE2 4.24Å
198	R	83.7	Confident	81	Confident	29 Å²	29	64.2 Å²	64.2	11%	0.109	31%	0.311	C	S	.	.	H	α-helix	trans	-66	-32.7	-178	-57.1	-175.6	-179	-159.4	0.6	112.8	C179 S196 Y204 D214 R357	C179-R198 PolarHBondContact SG-NH1 3.06Å; C179-R198 PolarHBondContact SG-NH2 2.85Å; S196-R198 PolarHBondContact O-N 3.06Å; S196-R198 PolarHBondContact OG-N 2.7Å; R198-Y204 HydrophobicContact CG-CD1 3.78Å; R198-Y204 HydrophobicContact CG-CE1 3.67Å; R198-Y204 HydrophobicContact CG-CE2 4.5Å; R198-Y204 HydrophobicContact CG-CG 4.23Å; R198-D214 IonicContact CZ-OD1 3.03Å; R198-D214 IonicContact NE-OD1 3.7Å; R198-D214 IonicContact NH2-OD1 2.65Å; R198-D214 PolarHBondContact NH2-OD1 3.38Å; R198-R357 PolarHBondContact O-NH2 2.62Å
199	L	86.7	Confident	80	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-70.6	-41.9	179.2	-179.9	64.3	0	0	0	110.7	W142 T181 L182 S196 K197 M353 V356 R357 F360	W142-L199 HydrophobicContact CH2-CD1 3.96Å; W142-L199 HydrophobicContact CH2-CD2 4.07Å; W142-L199 HydrophobicContact CH2-CG 3.68Å; W142-L199 HydrophobicContact CZ2-CG 4.33Å; W142-L199 HydrophobicContact CZ3-CD2 3.97Å; W142-L199 HydrophobicContact CZ3-CG 4.1Å; T181-L199 HydrophobicContact CG2-CD1 4.34Å; L182-L199 HydrophobicContact CD1-CD2 4.39Å; L182-L199 HydrophobicContact CD2-CD2 3.38Å; L182-L199 HydrophobicContact CG-CD2 3.96Å; S196-L199 PolarHBondContact O-N 3.07Å; S196-L199 VanDerWaalsContact O-N 3.15Å; K197-L199 VanDerWaalsContact C-N 3.3Å; K197-L199 PolarHBondContact O-N 2.76Å; L199-M353 HydrophobicContact CD1-SD 3.79Å; L199-V356 HydrophobicContact CD1-CB 4.24Å; L199-V356 HydrophobicContact CD1-CG1 3.7Å; L199-R357 HydrophobicContact CD1-CG 3.74Å; L199-R357 PolarHBondContact O-NE 3.49Å; L199-F360 HydrophobicContact CD2-CD2 4.27Å; L199-F360 HydrophobicContact CD2-CE2 4.34Å
200	I	87.1	Confident	79.5	Confident	39 Å²	39	64.6 Å²	64.6	20%	0.2	31%	0.305	C	S	.	.	H	α-helix	trans	-90	-36.3	-170.5	-64.1	173.1	0	0	0	112.4	W142 V144 C195 S196 K197	W142-I200 HydrophobicContact CD2-CG1 4.29Å; W142-I200 HydrophobicContact CZ2-CG1 4.19Å; V144-I200 HydrophobicContact CB-CD1 4.39Å; V144-I200 HydrophobicContact CG2-CB 3.91Å; V144-I200 HydrophobicContact CG2-CD1 3.71Å; V144-I200 HydrophobicContact CG2-CG1 4.33Å; V144-I200 HydrophobicContact CG2-CG2 4.1Å; V144-I200 VanDerWaalsContact N-CD1 3.28Å; C195-I200 HydrophobicContact CB-CD1 3.66Å; C195-I200 HydrophobicContact CB-CG1 4.42Å; S196-I200 PolarHBondContact O-N 3.41Å; K197-I200 PolarHBondContact O-N 2.85Å
201	E	83.3	Confident	79	Confident	86 Å²	86	64.9 Å²	64.9	40%	0.402	31%	0.308	S	S	.	.			trans	-82.6	120.6	-177.9	-65.6	178.5	-170	0	0	111.7	K197 R203 Y204 R357	K197-E201 WeakPolarHBondContact O-CB 3.29Å; K197-E201 WeakPolarHBondContact O-CG 3.4Å; K197-E201 PolarHBondContact O-N 2.66Å; E201-R203 VanDerWaalsContact C-N 3.34Å; E201-R203 PolarHBondContact O-N 3.42Å; E201-Y204 WeakPolarHBondContact OE2-CD2 3.44Å; E201-R357 PolarHBondContact O-NH2 3.03Å
202	E	66.1	Low	78.5	Confident	177 Å²	177	64.9 Å²	64.9	83%	0.827	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-26.9	-179.5	-67.4	-174.6	167.6	0	0	113.8
203	R	58.6	Low	77.9	Confident	239 Å²	239	66.7 Å²	66.7	90%	0.902	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115	52.8	-177.8	-65.5	-171.8	-178.8	-176.1	0.9	112.1	E201	E201-R203 VanDerWaalsContact C-N 3.34Å; E201-R203 PolarHBondContact O-N 3.42Å
204	Y	60.9	Low	77.5	Confident	67 Å²	67	67.2 Å²	67.2	26%	0.263	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-83.5	119.2	174.7	-160.5	-97.5	0	0	0	110.6	K197 R198 E201 D214	K197-Y204 HydrophobicContact CB-CE2 4.24Å; R198-Y204 HydrophobicContact CG-CD1 3.78Å; R198-Y204 HydrophobicContact CG-CE1 3.67Å; R198-Y204 HydrophobicContact CG-CE2 4.5Å; R198-Y204 HydrophobicContact CG-CG 4.23Å; E201-Y204 WeakPolarHBondContact OE2-CD2 3.44Å; Y204-D214 PolarHBondContact OH-OD1 3.05Å
205	S	55.8	Low	77.2	Confident	101 Å²	101	66.6 Å²	66.6	71%	0.706	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-82.5	123.1	173	61.8	0	0	0	0	110	S207	S205-S207 PolarHBondContact O-N 3.36Å
206	W	59.9	Low	77.2	Confident	158 Å²	158	66.5 Å²	66.5	60%	0.598	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-60.3	126.5	178.1	-48.5	82.9	0	0	0	112.1	E176	E176-W206 HydrophobicContact CB-CH2 4.15Å; E176-W206 HydrophobicContact CB-CZ3 4.32Å; E176-W206 VanDerWaalsContact O-CZ3 3.25Å; E176-W206 WeakPolarHBondContact O-CZ3 3.41Å; E176-W206 WeakPolarHBondContact OE2-CH2 3.35Å
207	S	60.1	Low	77.3	Confident	57 Å²	57	66.4 Å²	66.4	40%	0.399	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-100.5	127.3	154.5	61.3	0	0	0	0	108.4	S205 Q209	S205-S207 PolarHBondContact O-N 3.36Å; S207-Q209 PolarHBondContact O-N 3.1Å; S207-Q209 PolarHBondContact OG-O 2.98Å; S207-Q209 VanDerWaalsContact OG-O 3.04Å
208	N	63.4	Low	77.6	Confident	169 Å²	169	63.2 Å²	63.2	90%	0.904	31%	0.308	S	S	*	.	S	Bend	trans	-65.1	-18.6	174.2	-79.2	-2.5	0	0	0	112.1
209	Q	70.7	Confident	77.8	Confident	101 Å²	101	62.3 Å²	62.3	47%	0.472	31%	0.306	S	S	.	.	S	Bend	trans	-96.5	127	178.1	-67.5	177.4	-11.2	0	0	111	S207	S207-Q209 PolarHBondContact O-N 3.1Å; S207-Q209 PolarHBondContact OG-O 2.98Å; S207-Q209 VanDerWaalsContact OG-O 3.04Å
210	L	80.2	Confident	78	Confident	18 Å²	18	62.3 Å²	62.3	9%	0.094	31%	0.306	C	S	.	.			trans	-73.4	132.4	171.4	-89.7	134.9	0	0	0	110.4	Q178 C179 L215 M772 L774	Q178-L210 HydrophobicContact CB-CD1 4.33Å; C179-L210 WeakPolarHBondContact SG-CD2 3.26Å; L210-L215 HydrophobicContact CD2-CD2 4.27Å; L210-M772 HydrophobicContact CD1-CG 3.96Å; L210-M772 HydrophobicContact CD1-SD 4.26Å; L210-M772 HydrophobicContact CD2-SD 4.48Å; L210-L774 HydrophobicContact CB-CD1 4.44Å
211	T	84.6	Confident	77.9	Confident	27 Å²	27	62.3 Å²	62.3	17%	0.166	31%	0.308	C	S	.	.			trans	-124.1	165.2	174.2	68.3	0	0	0	0	111	A213 D214	T211-A213 PolarHBondContact O-N 3.4Å; T211-D214 PolarHBondContact N-OD2 3.3Å; T211-D214 VanDerWaalsContact N-OD2 3.1Å; T211-D214 PolarHBondContact O-N 3.27Å; T211-D214 PolarHBondContact OG1-OD2 3.27Å
212	L	85.6	Confident	77.6	Confident	2 Å²	2	61.2 Å²	61.2	1%	0.01	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-56.8	-21.8	175.9	-71.1	-173.6	0	0	0	113.9	D214 L215 K250 L254 L774 L776 E780	L212-D214 VanDerWaalsContact C-N 3.29Å; L212-L215 PolarHBondContact O-N 2.93Å; L212-K250 HydrophobicContact CB-CG 4.1Å; L212-K250 HydrophobicContact CD2-CG 4.04Å; L212-K250 WeakPolarHBondContact CD2-O 3.27Å; L212-K250 HydrophobicContact CG-CG 4.49Å; L212-L254 HydrophobicContact CD1-CD2 4.08Å; L212-L774 HydrophobicContact CD2-CD1 4.28Å; L212-L774 HydrophobicContact CD2-CD2 3.38Å; L212-L774 HydrophobicContact CD2-CG 4.47Å; L212-L774 HydrophobicContact CG-CD2 3.88Å; L212-L776 HydrophobicContact CD1-CD2 3.87Å; L212-L776 HydrophobicContact CD2-CD2 4.18Å; L212-L776 HydrophobicContact CG-CD2 4.02Å; L212-E780 HydrophobicContact CD1-CB 4.3Å; L212-E780 HydrophobicContact CD1-CG 4.06Å
213	A	84.1	Confident	78.2	Confident	39 Å²	39	60.2 Å²	60.2	32%	0.322	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-74.7	-18.7	178.3	0	0	0	0	0	113.3	T211 F222	T211-A213 PolarHBondContact O-N 3.4Å; A213-F222 HydrophobicContact CB-CE1 4.3Å; A213-F222 HydrophobicContact CB-CZ 3.87Å; A213-F222 WeakPolarHBondContact O-CE2 3.41Å; A213-F222 WeakPolarHBondContact O-CZ 3.41Å
214	D	86.6	Confident	79.3	Confident	13 Å²	13	50.7 Å²	50.7	7%	0.07	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-87.4	-9.7	177.4	-59.7	-78.2	0	0	0	112.4	P180 R198 Y204 T211 L212	P180-D214 WeakPolarHBondContact CD-O 3.46Å; P180-D214 WeakPolarHBondContact CG-O 3.41Å; R198-D214 IonicContact CZ-OD1 3.03Å; R198-D214 IonicContact NE-OD1 3.7Å; R198-D214 IonicContact NH2-OD1 2.65Å; R198-D214 PolarHBondContact NH2-OD1 3.38Å; Y204-D214 PolarHBondContact OH-OD1 3.05Å; T211-D214 PolarHBondContact N-OD2 3.3Å; T211-D214 VanDerWaalsContact N-OD2 3.1Å; T211-D214 PolarHBondContact O-N 3.27Å; T211-D214 PolarHBondContact OG1-OD2 3.27Å; L212-D214 VanDerWaalsContact C-N 3.29Å
215	L	91.4	Very high	80.2	Confident	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.271	C	S	.	.	S	Bend	trans	-96	165.2	-176.4	-66.3	-164.1	0	0	0	113.4	P180 L210 L212 P217 F248 K250 Y253 L774	P180-L215 HydrophobicContact CG-CD2 4.49Å; L210-L215 HydrophobicContact CD2-CD2 4.27Å; L212-L215 PolarHBondContact O-N 2.93Å; L215-P217 WeakPolarHBondContact O-CD 3.43Å; L215-F248 WeakPolarHBondContact CB-O 3.42Å; L215-K250 HydrophobicContact CB-CB 3.96Å; L215-Y253 HydrophobicContact CD1-CD2 3.53Å; L215-Y253 HydrophobicContact CD1-CE2 3.46Å; L215-Y253 VanDerWaalsContact CD1-CE2 3.46Å; L215-L774 HydrophobicContact CD1-CD1 3.46Å; L215-L774 VanDerWaalsContact CD1-CD1 3.46Å; L215-L774 HydrophobicContact CD2-CD1 4.47Å; L215-L774 HydrophobicContact CG-CD1 3.83Å
216	I	94	Very high	81.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-83.1	119.2	-177.5	-55.2	173.2	0	0	0	109.2	W146 F168 V170 P180 A183 W194 F248 K250	W146-I216 HydrophobicContact CH2-CG2 4.41Å; W146-I216 HydrophobicContact CZ2-CG2 3.37Å; F168-I216 HydrophobicContact CZ-CD1 3.83Å; F168-I216 HydrophobicContact CZ-CG2 4.21Å; V170-I216 HydrophobicContact CB-CD1 4.45Å; V170-I216 HydrophobicContact CG1-CD1 3.85Å; V170-I216 HydrophobicContact CG2-CD1 3.67Å; P180-I216 HydrophobicContact CB-CD1 3.83Å; P180-I216 HydrophobicContact CB-CG1 3.98Å; P180-I216 HydrophobicContact CG-CD1 4.38Å; P180-I216 HydrophobicContact CG-CG1 3.99Å; A183-I216 HydrophobicContact CB-CD1 3.65Å; W194-I216 HydrophobicContact CD2-CD1 4.29Å; W194-I216 HydrophobicContact CD2-CG1 3.85Å; W194-I216 HydrophobicContact CD2-CG2 4.3Å; W194-I216 HydrophobicContact CE3-CD1 3.95Å; W194-I216 HydrophobicContact CE3-CG1 3.83Å; W194-I216 HydrophobicContact CG-CG2 4.18Å; W194-I216 HydrophobicContact CH2-CG1 3.88Å; W194-I216 HydrophobicContact CZ2-CG1 3.88Å; W194-I216 HydrophobicContact CZ3-CD1 4.14Å; W194-I216 HydrophobicContact CZ3-CG1 3.86Å; I216-F248 HydrophobicContact CD1-CB 4.35Å; I216-F248 PolarHBondContact N-O 3.16Å; I216-K250 WeakPolarHBondContact O-CB 3.45Å; I216-K250 PolarHBondContact O-N 3.49Å
217	P	93.9	Very high	82.3	Confident	4 Å²	4	45.7 Å²	45.7	3%	0.026	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-78.6	131	173.8	29.7	-30.4	0	0	0	110.5	W146 L215 T220 K250	W146-P217 PolarHBondContact NE1-O 2.96Å; L215-P217 WeakPolarHBondContact O-CD 3.43Å; P217-T220 VanDerWaalsContact CB-O 3.27Å; P217-T220 WeakPolarHBondContact CB-O 3.4Å; P217-K250 HydrophobicContact CB-CD 4.28Å
218	L	92.5	Very high	83	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	-117.6	-19.3	173.2	-74.2	-179.5	0	0	0	113.8	W146 F160 P161 F168 R235 I237 I249 E251	W146-L218 HydrophobicContact CH2-CD2 4.12Å; W146-L218 HydrophobicContact CZ2-CD2 3.41Å; W146-L218 VanDerWaalsContact CZ2-CD2 3.41Å; F160-L218 WeakPolarHBondContact CB-O 3.26Å; F160-L218 VanDerWaalsContact CD2-O 3.24Å; F160-L218 WeakPolarHBondContact CD2-O 3.24Å; P161-L218 HydrophobicContact CG-CD2 4.21Å; F168-L218 HydrophobicContact CE1-CD1 4.44Å; L218-R235 PolarHBondContact O-NH1 3.48Å; L218-I237 HydrophobicContact CD1-CD1 3.4Å; L218-I237 VanDerWaalsContact CD1-CD1 3.4Å; L218-I249 HydrophobicContact CB-CG2 4.3Å; L218-I249 HydrophobicContact CD1-CD1 3.62Å; L218-I249 HydrophobicContact CD1-CG1 3.8Å; L218-I249 HydrophobicContact CD1-CG2 3.95Å; L218-I249 HydrophobicContact CG-CG2 4.26Å; L218-E251 PolarHBondContact N-OE1 2.98Å; L218-E251 PolarHBondContact N-OE2 3.43Å; L218-E251 VanDerWaalsContact N-OE2 3.13Å
219	E	89.3	Confident	83.5	Confident	11 Å²	11	42.9 Å²	42.9	5%	0.051	25%	0.25	C	S	.	.	S	Bend	trans	-131	-17.7	-173.6	-61.5	178.6	69	0	0	112.9	P228 W232 E251 P258 T260	E219-P228 WeakPolarHBondContact O-CD 3.42Å; E219-W232 HydrophobicContact CB-CE3 4.3Å; E219-W232 HydrophobicContact CB-CZ3 3.83Å; E219-W232 VanDerWaalsContact OE1-CE3 3.24Å; E219-E251 HydrophobicContact CB-CG 4.08Å; E219-E251 PolarHBondContact N-OE1 3.29Å; E219-E251 VanDerWaalsContact N-OE1 3.09Å; E219-P258 WeakPolarHBondContact OE1-CB 3.46Å; E219-P258 WeakPolarHBondContact OE2-CB 3.32Å; E219-P258 VanDerWaalsContact OE2-CG 3.27Å; E219-P258 WeakPolarHBondContact OE2-CG 3.44Å; E219-T260 PolarHBondContact OE1-OG1 2.86Å; E219-T260 WeakPolarHBondContact OE2-CB 3.47Å; E219-T260 PolarHBondContact OE2-OG1 3.39Å
220	T	89.8	Confident	83.9	Confident	0 Å²	0	41 Å²	41	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-125.4	145.4	-176.7	62.8	0	0	0	0	111.6	P217 S224 W232 K250 E251	P217-T220 VanDerWaalsContact CB-O 3.27Å; P217-T220 WeakPolarHBondContact CB-O 3.4Å; T220-S224 WeakPolarHBondContact CB-O 3.5Å; T220-S224 PolarHBondContact OG1-O 3.18Å; T220-W232 HydrophobicContact CG2-CH2 3.85Å; T220-W232 HydrophobicContact CG2-CZ3 3.91Å; T220-K250 PolarHBondContact OG1-NZ 3.49Å; T220-E251 WeakPolarHBondContact CB-OE1 3.43Å; T220-E251 HydrophobicContact CG2-CG 3.89Å; T220-E251 PolarHBondContact N-OE1 3.22Å; T220-E251 PolarHBondContact OG1-OE1 2.87Å
221	P	85.6	Confident	84	Confident	39 Å²	39	48 Å²	48	25%	0.253	29%	0.29	S	S	.	.			trans	-56.3	153.4	169	-23.8	33.3	0	0	0	111.7	F160 N223 S224 K250	F160-P221 HydrophobicContact CE1-CG 4.3Å; P221-N223 PolarHBondContact O-N 3.41Å; P221-S224 PolarHBondContact O-N 3.4Å; P221-K250 PolarHBondContact O-NZ 2.81Å
222	F	76.4	Confident	84.2	Confident	63 Å²	63	49.3 Å²	49.3	28%	0.276	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-42.8	-173.9	-171.8	-96.3	0	0	0	113.5	A213 K250	A213-F222 HydrophobicContact CB-CE1 4.3Å; A213-F222 HydrophobicContact CB-CZ 3.87Å; A213-F222 WeakPolarHBondContact O-CE2 3.41Å; A213-F222 WeakPolarHBondContact O-CZ 3.41Å; F222-K250 PolarHBondContact O-NZ 2.95Å
223	N	78.3	Confident	84.3	Confident	156 Å²	156	54.8 Å²	54.8	83%	0.834	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	4.6	-177.2	-65.9	-36.3	0	0	0	115.5	P221	P221-N223 PolarHBondContact O-N 3.41Å
224	S	82.3	Confident	84.7	Confident	39 Å²	39	57.5 Å²	57.5	27%	0.273	32%	0.322	S	S	.	.			trans	-117.1	143.9	-178.6	-179.2	0	0	0	0	110.9	T220 P221 R226 K250	T220-S224 WeakPolarHBondContact CB-O 3.5Å; T220-S224 PolarHBondContact OG1-O 3.18Å; P221-S224 PolarHBondContact O-N 3.4Å; S224-R226 PolarHBondContact OG-N 3.46Å; S224-R226 PolarHBondContact OG-O 3.21Å; S224-K250 PolarHBondContact O-NZ 3Å
225	S	78.9	Confident	85	Confident	33 Å²	33	57.2 Å²	57.2	23%	0.231	32%	0.32	C	S	.	.	S	Bend	trans	-106.2	10.4	168.9	-46.7	0	0	0	0	111.9
226	R	80.3	Confident	85.3	Confident	169 Å²	169	57.2 Å²	57.2	64%	0.638	32%	0.32	S	S	*	.	S	Bend	trans	-116	139.1	-179.4	-64.7	-175.9	-178.9	-167	-1.3	110.4	S224	S224-R226 PolarHBondContact OG-N 3.46Å; S224-R226 PolarHBondContact OG-O 3.21Å
227	P	80.8	Confident	85.4	Confident	19 Å²	19	57.2 Å²	57.2	12%	0.123	32%	0.32	C	S	.	.			trans	-65.4	146.9	176.8	26.7	-33.3	0	0	0	110.9	G229 G230 Q231 W232	P227-G229 PolarHBondContact O-N 2.89Å; P227-G230 PolarHBondContact O-N 2.95Å; P227-Q231 WeakPolarHBondContact CB-O 3.33Å; P227-W232 HydrophobicContact CB-CD2 4.01Å; P227-W232 HydrophobicContact CB-CE3 3.71Å; P227-W232 HydrophobicContact CB-CH2 4.41Å; P227-W232 HydrophobicContact CB-CZ3 3.92Å; P227-W232 HydrophobicContact CG-CD2 3.81Å; P227-W232 HydrophobicContact CG-CE3 4.03Å; P227-W232 HydrophobicContact CG-CG 4.29Å; P227-W232 HydrophobicContact CG-CH2 4.41Å; P227-W232 HydrophobicContact CG-CZ2 4.22Å; P227-W232 HydrophobicContact CG-CZ3 4.31Å
228	P	74.7	Confident	85.6	Confident	79 Å²	79	57 Å²	57	51%	0.513	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-54.3	128.7	169.6	-20.6	30.8	0	0	0	110.5	F160 E219 G230	F160-P228 HydrophobicContact CE1-CG 4.3Å; F160-P228 HydrophobicContact CZ-CG 3.88Å; E219-P228 WeakPolarHBondContact O-CD 3.42Å; P228-G230 PolarHBondContact O-N 3.48Å
229	G	74.4	Confident	85.7	Confident	87 Å²	87	57 Å²	57	90%	0.897	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	75.7	1.8	-177.7	0	0	0	0	0	115.7	P227 Q231	P227-G229 PolarHBondContact O-N 2.89Å; G229-Q231 VanDerWaalsContact C-N 3.3Å; G229-Q231 PolarHBondContact O-N 3.41Å
230	G	79	Confident	85.9	Confident	62 Å²	62	57.4 Å²	57.4	64%	0.639	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	77.5	6.7	172.5	0	0	0	0	0	115.8	P227 P228	P227-G230 PolarHBondContact O-N 2.95Å; P228-G230 PolarHBondContact O-N 3.48Å
231	Q	81.6	Confident	86	Confident	164 Å²	164	60 Å²	60	77%	0.766	34%	0.335	S	S	*	.	S	Bend	trans	-126.8	138.2	176.3	-67.6	-176.3	-11	0	0	110.6	P227 G229	P227-Q231 WeakPolarHBondContact CB-O 3.33Å; G229-Q231 VanDerWaalsContact C-N 3.3Å; G229-Q231 PolarHBondContact O-N 3.41Å
232	W	88.3	Confident	86.4	Confident	55 Å²	55	58.4 Å²	58.4	21%	0.208	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-77.4	130.5	175.4	-64.8	114.1	0	0	0	110.6	E219 T220 P227 E251 L254 P258 N259	E219-W232 HydrophobicContact CB-CE3 4.3Å; E219-W232 HydrophobicContact CB-CZ3 3.83Å; E219-W232 VanDerWaalsContact OE1-CE3 3.24Å; T220-W232 HydrophobicContact CG2-CH2 3.85Å; T220-W232 HydrophobicContact CG2-CZ3 3.91Å; P227-W232 HydrophobicContact CB-CD2 4.01Å; P227-W232 HydrophobicContact CB-CE3 3.71Å; P227-W232 HydrophobicContact CB-CH2 4.41Å; P227-W232 HydrophobicContact CB-CZ3 3.92Å; P227-W232 HydrophobicContact CG-CD2 3.81Å; P227-W232 HydrophobicContact CG-CE3 4.03Å; P227-W232 HydrophobicContact CG-CG 4.29Å; P227-W232 HydrophobicContact CG-CH2 4.41Å; P227-W232 HydrophobicContact CG-CZ2 4.22Å; P227-W232 HydrophobicContact CG-CZ3 4.31Å; W232-E251 HydrophobicContact CH2-CB 4.33Å; W232-E251 HydrophobicContact CH2-CG 4.08Å; W232-E251 HydrophobicContact CZ3-CB 4.46Å; W232-E251 HydrophobicContact CZ3-CG 4.13Å; W232-L254 HydrophobicContact CH2-CD1 3.86Å; W232-L254 HydrophobicContact CZ2-CD1 3.93Å; W232-P258 HydrophobicContact CD2-CB 3.87Å; W232-P258 HydrophobicContact CE3-CB 3.69Å; W232-P258 HydrophobicContact CG-CB 4.38Å; W232-P258 HydrophobicContact CH2-CB 4.45Å; W232-P258 HydrophobicContact CZ3-CB 4Å; W232-N259 HydrophobicContact CB-CB 4.07Å; W232-N259 PolarHBondContact O-ND2 2.75Å
233	K	88.8	Confident	87.2	Confident	117 Å²	117	55.7 Å²	55.7	51%	0.509	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-80.5	143.4	173.5	-172	178.2	176.1	-176.1	0	109.3	D162 R235	D162-K233 PolarHBondContact O-NZ 2.91Å; K233-R235 PolarHBondContact O-N 3.28Å
234	E	92.3	Very high	87.9	Confident	97 Å²	97	51.2 Å²	51.2	45%	0.453	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-73.7	124	172.2	-65.7	161.4	156.9	0	0	109	P120 Y121 N259	P120-E234 HydrophobicContact CB-CB 4.17Å; P120-E234 HydrophobicContact CB-CG 4.42Å; P120-E234 WeakPolarHBondContact CB-OE2 3.45Å; P120-E234 VanDerWaalsContact CG-OE2 3.3Å; P120-E234 WeakPolarHBondContact CG-OE2 3.42Å; Y121-E234 HydrophobicContact CE1-CB 4.26Å; E234-N259 HydrophobicContact CG-CB 4.2Å
235	R	93.4	Very high	88.5	Confident	7 Å²	7	49.5 Å²	49.5	3%	0.026	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	142.3	-178	-174.2	178.7	-68.8	-165.3	-0.5	110.9	Y121 P161 E163 S164 L218 K233 T260 R261	Y121-R235 WeakPolarHBondContact CE1-O 3.42Å; P161-R235 VanDerWaalsContact O-CZ 3.26Å; P161-R235 PolarHBondContact O-NH1 3.46Å; P161-R235 VanDerWaalsContact O-NH1 3.07Å; P161-R235 PolarHBondContact O-NH2 2.99Å; E163-R235 PolarHBondContact O-NE 3.2Å; E163-R235 VanDerWaalsContact O-NE 3.1Å; E163-R235 PolarHBondContact O-NH2 3.29Å; S164-R235 CarbonylContact O-C 3.59Å; S164-R235 WeakPolarHBondContact O-CA 3.32Å; S164-R235 WeakPolarHBondContact O-CG 3.37Å; L218-R235 PolarHBondContact O-NH1 3.48Å; K233-R235 PolarHBondContact O-N 3.28Å; R235-T260 HydrophobicContact CB-CG2 4.39Å; R235-T260 CarbonylContact O-C 3.51Å; R235-T260 VanDerWaalsContact O-CA 3.32Å; R235-T260 WeakPolarHBondContact O-CA 3.39Å; R235-R261 PolarHBondContact O-N 3.25Å
236	L	96.3	Very high	89.2	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.8	172.3	179.8	67.8	0	0	0	110	Y121 A124 A125 S164 A165 L166 V238 R261 M263 L399	Y121-L236 HydrophobicContact CD1-CB 4.43Å; A124-L236 HydrophobicContact CB-CB 4.08Å; A125-L236 HydrophobicContact CB-CD2 3.54Å; S164-L236 PolarHBondContact O-N 2.9Å; A165-L236 WeakPolarHBondContact CA-O 3.36Å; L166-L236 PolarHBondContact N-O 3Å; L236-V238 HydrophobicContact CD2-CG2 4.2Å; L236-V238 HydrophobicContact CG-CG2 4.2Å; L236-R261 WeakPolarHBondContact CA-O 3.46Å; L236-M263 HydrophobicContact CD1-CB 4.07Å; L236-M263 HydrophobicContact CD1-CE 4.37Å; L236-M263 HydrophobicContact CD2-CE 3.87Å; L236-L399 HydrophobicContact CD1-CD2 4.19Å
237	I	96.6	Very high	89.9	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	128.9	171.2	-63	173	0	0	0	108.5	L166 F168 L218 V242 I249 T260 R261 F262 M263	L166-I237 CarbonylContact O-C 3.39Å; L166-I237 WeakPolarHBondContact O-CA 3.21Å; F168-I237 HydrophobicContact CB-CG2 3.72Å; F168-I237 HydrophobicContact CD1-CG2 4.28Å; F168-I237 HydrophobicContact CG-CG2 4.41Å; L218-I237 HydrophobicContact CD1-CD1 3.4Å; L218-I237 VanDerWaalsContact CD1-CD1 3.4Å; I237-V242 HydrophobicContact CG2-CG2 4.17Å; I237-I249 HydrophobicContact CD1-CD1 3.98Å; I237-T260 HydrophobicContact CD1-CG2 3.56Å; I237-T260 HydrophobicContact CG1-CG2 3.94Å; I237-R261 PolarHBondContact N-O 3.08Å; I237-F262 HydrophobicContact CB-CD1 3.74Å; I237-F262 HydrophobicContact CB-CE1 3.9Å; I237-F262 HydrophobicContact CD1-CD1 4.35Å; I237-F262 HydrophobicContact CD1-CE1 3.62Å; I237-F262 HydrophobicContact CD1-CZ 4.23Å; I237-F262 HydrophobicContact CG1-CE1 4.29Å; I237-F262 HydrophobicContact CG2-CD1 4.01Å; I237-F262 HydrophobicContact CG2-CE1 4.16Å; I237-F262 CarbonylContact O-C 3.54Å; I237-F262 WeakPolarHBondContact O-CA 3.27Å; I237-M263 PolarHBondContact O-N 2.86Å
238	V	97.1	Very high	90.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.9	177.5	-176.6	0	0	0	0	109	L128 L166 V167 F168 L236 M263 T265 F378	L128-V238 HydrophobicContact CD2-CB 4.47Å; L128-V238 HydrophobicContact CD2-CG2 3.93Å; L166-V238 PolarHBondContact O-N 3.45Å; V167-V238 CarbonylContact C-O 3.47Å; V167-V238 VanDerWaalsContact CA-O 3.25Å; V167-V238 WeakPolarHBondContact CA-O 3.31Å; V167-V238 HydrophobicContact CG2-CB 4.33Å; F168-V238 PolarHBondContact N-O 3.05Å; L236-V238 HydrophobicContact CD2-CG2 4.2Å; L236-V238 HydrophobicContact CG-CG2 4.2Å; V238-M263 WeakPolarHBondContact CA-O 3.39Å; V238-M263 HydrophobicContact CG2-CB 4.45Å; V238-M263 HydrophobicContact CG2-CE 4.26Å; V238-T265 HydrophobicContact CG1-CG2 3.9Å; V238-F378 HydrophobicContact CG1-CB 4.12Å; V238-F378 HydrophobicContact CG1-CD1 4.3Å; V238-F378 HydrophobicContact CG1-CD2 3.77Å; V238-F378 HydrophobicContact CG1-CE2 4.31Å; V238-F378 HydrophobicContact CG1-CG 3.77Å; V238-F378 HydrophobicContact CG2-CD1 4.43Å; V238-F378 HydrophobicContact CG2-CE1 4.18Å; V238-F378 HydrophobicContact CG2-CE2 4.3Å; V238-F378 HydrophobicContact CG2-CZ 4.1Å
239	G	95.8	Very high	91.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	171.1	175.3	0	0	0	0	0	111.1	M263 D264 T265	G239-M263 PolarHBondContact N-O 2.69Å; G239-D264 WeakPolarHBondContact O-CA 3.08Å; G239-T265 PolarHBondContact O-N 3.22Å; G239-T265 PolarHBondContact O-OG1 3.35Å
240	H	93.9	Very high	92.3	Very high	18 Å²	18	32 Å²	32	8%	0.083	16%	0.164	C	C	.	.	S	Bend	trans	-89.2	-28.1	174.6	-170.9	70.6	0	0	0	113.9	D264 T265 M266 N325 L327 T374	H240-D264 VanDerWaalsContact C-OD1 3.29Å; H240-T265 VanDerWaalsContact CA-OG1 3.3Å; H240-T265 WeakPolarHBondContact CA-OG1 3.42Å; H240-T265 PolarHBondContact ND1-OG1 3.05Å; H240-M266 WeakPolarHBondContact O-CB 3.43Å; H240-N325 PolarHBondContact NE2-O 2.84Å; H240-L327 HydrophobicContact CB-CD1 4.13Å; H240-L327 VanDerWaalsContact NE2-CA 3.35Å; H240-L327 WeakPolarHBondContact NE2-CA 3.28Å; H240-L327 PolarHBondContact NE2-N 3Å; H240-T374 HydrophobicContact CB-CG2 4.29Å
241	N	92.3	Very high	93	Very high	56 Å²	56	29 Å²	29	30%	0.299	13%	0.133	S	C	.	.	S	Bend	trans	-134.5	58.9	165.5	-177.8	24.1	0	0	0	108.3	S243 F244 M266	N241-S243 PolarHBondContact O-N 2.89Å; N241-F244 WeakPolarHBondContact ND2-CB 3.25Å; N241-F244 WeakPolarHBondContact O-CB 3.32Å; N241-F244 PolarHBondContact O-N 3.33Å; N241-M266 HydrophobicContact CB-CE 4.04Å; N241-M266 WeakPolarHBondContact OD1-CE 3.5Å
242	V	93.1	Very high	93.6	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.024	10%	0.097	C	C	.	.	H	α-helix	trans	-56.4	-24.7	-165.2	80.1	0	0	0	0	113.7	I237 F244 D245 R246 F262 D264	I237-V242 HydrophobicContact CG2-CG2 4.17Å; V242-F244 VanDerWaalsContact C-N 3.33Å; V242-D245 VanDerWaalsContact CA-OD2 3.32Å; V242-D245 WeakPolarHBondContact CA-OD2 3.34Å; V242-D245 PolarHBondContact O-N 3.34Å; V242-R246 WeakPolarHBondContact O-CA 3.31Å; V242-R246 WeakPolarHBondContact O-CB 3.37Å; V242-R246 PolarHBondContact O-N 3.18Å; V242-F262 HydrophobicContact CG1-CB 3.81Å; V242-F262 HydrophobicContact CG2-CB 3.97Å; V242-F262 HydrophobicContact CG2-CD1 3.64Å; V242-F262 HydrophobicContact CG2-CG 4.25Å; V242-D264 HydrophobicContact CB-CB 4.47Å; V242-D264 HydrophobicContact CG1-CB 3.72Å
243	S	92.6	Very high	93.8	Very high	6 Å²	6	18.8 Å²	18.8	4%	0.042	9%	0.088	C	C	.	.	H	α-helix	trans	-71.9	-28.4	179.2	-60.6	0	0	0	0	112.7	N241 S247 V804	N241-S243 PolarHBondContact O-N 2.89Å; S243-S247 PolarHBondContact O-N 3.47Å; S243-V804 WeakPolarHBondContact CB-O 3.31Å; S243-V804 PolarHBondContact OG-O 3.4Å
244	F	93.1	Very high	93.9	Very high	63 Å²	63	13.8 Å²	13.8	28%	0.276	7%	0.067	S	C	.	.	H	α-helix	trans	-68.5	-51.4	168	176	-97.9	0	0	0	110	V172 N241 V242 R246 S247 F248	V172-F244 HydrophobicContact CG2-CZ 4.21Å; N241-F244 WeakPolarHBondContact ND2-CB 3.25Å; N241-F244 WeakPolarHBondContact O-CB 3.32Å; N241-F244 PolarHBondContact O-N 3.33Å; V242-F244 VanDerWaalsContact C-N 3.33Å; F244-R246 VanDerWaalsContact C-N 3.27Å; F244-R246 PolarHBondContact O-N 3.02Å; F244-S247 WeakPolarHBondContact O-CB 3.41Å; F244-S247 PolarHBondContact O-N 2.62Å; F244-S247 PolarHBondContact O-OG 3.48Å; F244-F248 AromaticContact CD1-CE2 3.93Å; F244-F248 HydrophobicContact CD1-CE2 3.93Å; F244-F248 HydrophobicContact CD2-CE2 4.16Å; F244-F248 HydrophobicContact CE1-CD2 4.44Å; F244-F248 AromaticContact CE1-CE2 3.59Å; F244-F248 HydrophobicContact CE1-CE2 3.59Å; F244-F248 HydrophobicContact CE1-CZ 4.37Å; F244-F248 AromaticContact CE2-CE2 3.82Å; F244-F248 HydrophobicContact CE2-CE2 3.82Å; F244-F248 HydrophobicContact CE2-CZ 4.01Å; F244-F248 HydrophobicContact CG-CE2 4.2Å; F244-F248 AromaticContact CZ-CE2 3.52Å; F244-F248 HydrophobicContact CZ-CE2 3.52Å; F244-F248 AromaticContact CZ-CZ 3.86Å; F244-F248 HydrophobicContact CZ-CZ 3.86Å; F244-F248 VanDerWaalsContact O-CD2 3.28Å; F244-F248 WeakPolarHBondContact O-CD2 3.45Å; F244-F248 WeakPolarHBondContact O-CE2 3.21Å
245	D	94.7	Very high	93.7	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.016	5%	0.048	C	C	.	.	H	α-helix	trans	-58.6	-41.2	179.1	-50.9	-50.2	0	0	0	111.6	F168 V170 V242 S247 F248	F168-D245 HydrophobicContact CD1-CB 4.04Å; F168-D245 HydrophobicContact CE1-CB 4.16Å; V170-D245 HydrophobicContact CG2-CB 4.21Å; V170-D245 PolarHBondContact N-OD1 3.35Å; V242-D245 VanDerWaalsContact CA-OD2 3.32Å; V242-D245 WeakPolarHBondContact CA-OD2 3.34Å; V242-D245 PolarHBondContact O-N 3.34Å; D245-S247 PolarHBondContact O-N 3.04Å; D245-F248 PolarHBondContact O-N 3.48Å
246	R	94.9	Very high	93.2	Very high	1 Å²	1	14.3 Å²	14.3	0%	0.004	7%	0.068	C	C	.	.	H	α-helix	trans	-55.9	-36.7	176.4	176.8	-177.1	174.2	-111.8	-2.9	112.3	V242 F244 F248 I249 Q252 F262 G402 V403 S404	V242-R246 WeakPolarHBondContact O-CA 3.31Å; V242-R246 WeakPolarHBondContact O-CB 3.37Å; V242-R246 PolarHBondContact O-N 3.18Å; F244-R246 VanDerWaalsContact C-N 3.27Å; F244-R246 PolarHBondContact O-N 3.02Å; R246-F248 PolarHBondContact O-N 3.45Å; R246-F248 VanDerWaalsContact O-N 3.14Å; R246-I249 PolarHBondContact O-N 3.06Å; R246-I249 VanDerWaalsContact O-N 3.08Å; R246-Q252 HydrophobicContact CG-CG 4.01Å; R246-F262 HydrophobicContact CB-CD1 4.3Å; R246-F262 HydrophobicContact CB-CE1 4.06Å; R246-F262 HydrophobicContact CB-CZ 4.21Å; R246-F262 HydrophobicContact CG-CD2 4.23Å; R246-F262 HydrophobicContact CG-CE1 4.08Å; R246-F262 HydrophobicContact CG-CE2 3.79Å; R246-F262 HydrophobicContact CG-CZ 3.7Å; R246-G402 PolarHBondContact NE-O 2.63Å; R246-V403 PolarHBondContact NH2-O 3.39Å; R246-S404 PolarHBondContact NH1-O 2.62Å; R246-S404 PolarHBondContact NH2-O 3.36Å
247	S	93.8	Very high	92.2	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.021	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.6	-179.7	76.7	0	0	0	0	112.4	S243 F244 D245 Y253 M772	S243-S247 PolarHBondContact O-N 3.47Å; F244-S247 WeakPolarHBondContact O-CB 3.41Å; F244-S247 PolarHBondContact O-N 2.62Å; F244-S247 PolarHBondContact O-OG 3.48Å; D245-S247 PolarHBondContact O-N 3.04Å; S247-Y253 WeakPolarHBondContact O-CE2 3.33Å; S247-Y253 PolarHBondContact O-OH 3.47Å; S247-M772 WeakPolarHBondContact O-CE 3.37Å
248	F	94.3	Very high	91.7	Very high	7 Å²	7	15.6 Å²	15.6	3%	0.031	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	3.5	176.7	-55.4	-68.8	0	0	0	114.1	V170 V172 Q178 P180 L215 I216 F244 D245 R246 M772	V170-F248 HydrophobicContact CB-CD2 4.21Å; V170-F248 HydrophobicContact CG1-CB 4.18Å; V170-F248 HydrophobicContact CG1-CD2 3.87Å; V170-F248 HydrophobicContact CG1-CG 4.1Å; V172-F248 HydrophobicContact CG2-CE1 3.92Å; V172-F248 HydrophobicContact CG2-CE2 3.94Å; V172-F248 HydrophobicContact CG2-CZ 3.59Å; Q178-F248 WeakPolarHBondContact O-CE1 3.39Å; P180-F248 HydrophobicContact CB-CB 4.14Å; P180-F248 HydrophobicContact CB-CD1 4.24Å; P180-F248 HydrophobicContact CB-CG 4.27Å; P180-F248 HydrophobicContact CG-CB 4.29Å; P180-F248 HydrophobicContact CG-CD1 4.3Å; L215-F248 WeakPolarHBondContact CB-O 3.42Å; I216-F248 HydrophobicContact CD1-CB 4.35Å; I216-F248 PolarHBondContact N-O 3.16Å; F244-F248 AromaticContact CD1-CE2 3.93Å; F244-F248 HydrophobicContact CD1-CE2 3.93Å; F244-F248 HydrophobicContact CD2-CE2 4.16Å; F244-F248 HydrophobicContact CE1-CD2 4.44Å; F244-F248 AromaticContact CE1-CE2 3.59Å; F244-F248 HydrophobicContact CE1-CE2 3.59Å; F244-F248 HydrophobicContact CE1-CZ 4.37Å; F244-F248 AromaticContact CE2-CE2 3.82Å; F244-F248 HydrophobicContact CE2-CE2 3.82Å; F244-F248 HydrophobicContact CE2-CZ 4.01Å; F244-F248 HydrophobicContact CG-CE2 4.2Å; F244-F248 AromaticContact CZ-CE2 3.52Å; F244-F248 HydrophobicContact CZ-CE2 3.52Å; F244-F248 AromaticContact CZ-CZ 3.86Å; F244-F248 HydrophobicContact CZ-CZ 3.86Å; F244-F248 VanDerWaalsContact O-CD2 3.28Å; F244-F248 WeakPolarHBondContact O-CD2 3.45Å; F244-F248 WeakPolarHBondContact O-CE2 3.21Å; D245-F248 PolarHBondContact O-N 3.48Å; R246-F248 PolarHBondContact O-N 3.45Å; R246-F248 VanDerWaalsContact O-N 3.14Å; F248-M772 HydrophobicContact CD1-CE 4.05Å; F248-M772 HydrophobicContact CD1-SD 4.35Å; F248-M772 HydrophobicContact CE1-CE 3.91Å; F248-M772 HydrophobicContact CE1-SD 3.84Å
249	I	94.5	Very high	91.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-89.6	121.4	179.9	-58.4	170.2	0	0	0	110	F168 L218 I237 R246 E251 Q252 F262	F168-I249 HydrophobicContact CD1-CD1 4.49Å; F168-I249 HydrophobicContact CE1-CD1 4.16Å; F168-I249 HydrophobicContact CE1-CG1 4.03Å; L218-I249 HydrophobicContact CB-CG2 4.3Å; L218-I249 HydrophobicContact CD1-CD1 3.62Å; L218-I249 HydrophobicContact CD1-CG1 3.8Å; L218-I249 HydrophobicContact CD1-CG2 3.95Å; L218-I249 HydrophobicContact CG-CG2 4.26Å; I237-I249 HydrophobicContact CD1-CD1 3.98Å; R246-I249 PolarHBondContact O-N 3.06Å; R246-I249 VanDerWaalsContact O-N 3.08Å; I249-E251 PolarHBondContact O-N 3.34Å; I249-Q252 HydrophobicContact CB-CG 3.83Å; I249-Q252 HydrophobicContact CG2-CG 3.85Å; I249-Q252 PolarHBondContact O-N 3.36Å; I249-F262 HydrophobicContact CD1-CE1 3.4Å; I249-F262 HydrophobicContact CD1-CZ 3.69Å
250	K	92.8	Very high	91.3	Very high	7 Å²	7	18.6 Å²	18.6	3%	0.03	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-53.5	-50.7	-175.6	178	-174.7	164.5	-166.5	0	113.3	L212 L215 I216 P217 T220 P221 F222 S224 Q252 Y253	L212-K250 HydrophobicContact CB-CG 4.1Å; L212-K250 HydrophobicContact CD2-CG 4.04Å; L212-K250 WeakPolarHBondContact CD2-O 3.27Å; L212-K250 HydrophobicContact CG-CG 4.49Å; L215-K250 HydrophobicContact CB-CB 3.96Å; I216-K250 WeakPolarHBondContact O-CB 3.45Å; I216-K250 PolarHBondContact O-N 3.49Å; P217-K250 HydrophobicContact CB-CD 4.28Å; T220-K250 PolarHBondContact OG1-NZ 3.49Å; P221-K250 PolarHBondContact O-NZ 2.81Å; F222-K250 PolarHBondContact O-NZ 2.95Å; S224-K250 PolarHBondContact O-NZ 3Å; K250-Q252 PolarHBondContact O-N 3.17Å; K250-Y253 PolarHBondContact O-N 2.8Å
251	E	92.9	Very high	91.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-70.5	-18.7	-170.6	-64.8	83.8	179.4	0	0	113.7	L218 E219 T220 W232 I249 Y253 L254 P258	L218-E251 PolarHBondContact N-OE1 2.98Å; L218-E251 PolarHBondContact N-OE2 3.43Å; L218-E251 VanDerWaalsContact N-OE2 3.13Å; E219-E251 HydrophobicContact CB-CG 4.08Å; E219-E251 PolarHBondContact N-OE1 3.29Å; E219-E251 VanDerWaalsContact N-OE1 3.09Å; T220-E251 WeakPolarHBondContact CB-OE1 3.43Å; T220-E251 HydrophobicContact CG2-CG 3.89Å; T220-E251 PolarHBondContact N-OE1 3.22Å; T220-E251 PolarHBondContact OG1-OE1 2.87Å; W232-E251 HydrophobicContact CH2-CB 4.33Å; W232-E251 HydrophobicContact CH2-CG 4.08Å; W232-E251 HydrophobicContact CZ3-CB 4.46Å; W232-E251 HydrophobicContact CZ3-CG 4.13Å; I249-E251 PolarHBondContact O-N 3.34Å; E251-Y253 PolarHBondContact O-N 3.17Å; E251-L254 HydrophobicContact CB-CD1 4.36Å; E251-L254 WeakPolarHBondContact O-CB 3.3Å; E251-L254 WeakPolarHBondContact O-CG 3.39Å; E251-L254 PolarHBondContact O-N 3.49Å; E251-P258 HydrophobicContact CB-CG 4.18Å; E251-P258 WeakPolarHBondContact O-CD 3.1Å
252	Q	93.6	Very high	91.5	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-68.8	-24.4	-177.7	-64.1	-62.2	-48.8	0	0	113.2	R246 I249 K250 F262 L801 R1088	R246-Q252 HydrophobicContact CG-CG 4.01Å; I249-Q252 HydrophobicContact CB-CG 3.83Å; I249-Q252 HydrophobicContact CG2-CG 3.85Å; I249-Q252 PolarHBondContact O-N 3.36Å; K250-Q252 PolarHBondContact O-N 3.17Å; Q252-F262 VanDerWaalsContact CD-CE2 3.48Å; Q252-F262 HydrophobicContact CG-CE2 4.27Å; Q252-F262 HydrophobicContact CG-CZ 3.94Å; Q252-L801 HydrophobicContact CB-CD1 3.49Å; Q252-L801 VanDerWaalsContact CB-CD1 3.49Å; Q252-R1088 PolarHBondContact O-NH2 3.21Å
253	Y	93.4	Very high	91.6	Very high	1 Å²	1	16.5 Å²	16.5	0%	0.004	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-82.3	-10.3	177.3	-72.5	-87	0	0	0	114.1	L215 S247 K250 E251 Y405 M772 L774 A799 L801	L215-Y253 HydrophobicContact CD1-CD2 3.53Å; L215-Y253 HydrophobicContact CD1-CE2 3.46Å; L215-Y253 VanDerWaalsContact CD1-CE2 3.46Å; S247-Y253 WeakPolarHBondContact O-CE2 3.33Å; S247-Y253 PolarHBondContact O-OH 3.47Å; K250-Y253 PolarHBondContact O-N 2.8Å; E251-Y253 PolarHBondContact O-N 3.17Å; Y253-Y405 PolarHBondContact O-OH 3.37Å; Y253-M772 WeakPolarHBondContact OH-CE 3.49Å; Y253-L774 HydrophobicContact CD1-CB 3.6Å; Y253-L774 HydrophobicContact CD1-CD2 4Å; Y253-L774 HydrophobicContact CD1-CG 4.31Å; Y253-L774 HydrophobicContact CD2-CD1 4.49Å; Y253-L774 HydrophobicContact CD2-CD2 4.5Å; Y253-L774 HydrophobicContact CE1-CB 3.57Å; Y253-L774 HydrophobicContact CG-CB 4.2Å; Y253-L774 HydrophobicContact CG-CD2 3.87Å; Y253-L774 HydrophobicContact CG-CG 4.45Å; Y253-A799 HydrophobicContact CD1-CB 4.18Å; Y253-A799 WeakPolarHBondContact CE1-O 3.35Å; Y253-L801 HydrophobicContact CD1-CD1 4.22Å; Y253-L801 HydrophobicContact CD1-CG 4Å; Y253-L801 HydrophobicContact CD2-CD1 3.76Å; Y253-L801 HydrophobicContact CD2-CG 4.43Å; Y253-L801 HydrophobicContact CE1-CB 4.49Å; Y253-L801 HydrophobicContact CE1-CD1 3.96Å; Y253-L801 HydrophobicContact CE1-CG 3.63Å; Y253-L801 HydrophobicContact CE2-CD1 3.42Å; Y253-L801 VanDerWaalsContact CE2-CD1 3.42Å; Y253-L801 HydrophobicContact CE2-CG 4.07Å; Y253-L801 HydrophobicContact CG-CD1 4.13Å; Y253-L801 HydrophobicContact CG-CG 4.38Å
254	L	91.1	Very high	91.7	Very high	13 Å²	13	16.4 Å²	16.4	7%	0.068	8%	0.083	C	C	.	.	S	Bend	trans	-66.7	138.3	175.6	-61	176.8	0	0	0	109.6	L212 W232 E251 K256 R1088	L212-L254 HydrophobicContact CD1-CD2 4.08Å; W232-L254 HydrophobicContact CH2-CD1 3.86Å; W232-L254 HydrophobicContact CZ2-CD1 3.93Å; E251-L254 HydrophobicContact CB-CD1 4.36Å; E251-L254 WeakPolarHBondContact O-CB 3.3Å; E251-L254 WeakPolarHBondContact O-CG 3.39Å; E251-L254 PolarHBondContact O-N 3.49Å; L254-K256 VanDerWaalsContact C-N 3.32Å; L254-K256 CarbonylContact O-C 3.46Å; L254-K256 PolarHBondContact O-N 3.27Å; L254-R1088 PolarHBondContact O-NH1 3.08Å
255	L	87.4	Confident	91.8	Very high	10 Å²	10	13.4 Å²	13.4	5%	0.052	7%	0.07	C	C	.	.	S	Bend	trans	-56.4	-47.1	-177.5	-164.3	69.2	0	0	0	111.8	G257 Y405 P782 V785 P841 Y844 R1088 L1100	L255-G257 PolarHBondContact O-N 3.3Å; L255-Y405 HydrophobicContact CD1-CE1 3.92Å; L255-Y405 WeakPolarHBondContact CD1-OH 3.33Å; L255-P782 HydrophobicContact CB-CG 4.04Å; L255-P782 HydrophobicContact CD2-CG 3.99Å; L255-V785 HydrophobicContact CD2-CG2 3.97Å; L255-P841 HydrophobicContact CD1-CG 3.87Å; L255-P841 HydrophobicContact CD2-CG 3.89Å; L255-Y844 HydrophobicContact CD2-CD2 3.92Å; L255-Y844 HydrophobicContact CD2-CE1 4.15Å; L255-Y844 HydrophobicContact CD2-CE2 3.37Å; L255-R1088 PolarHBondContact O-NH1 3.43Å; L255-L1100 HydrophobicContact CD1-CD2 3.65Å; L255-L1100 HydrophobicContact CG-CD2 4.37Å
256	K	83.3	Confident	91.8	Very high	104 Å²	104	14 Å²	14	45%	0.452	7%	0.073	S	C	.	.	S	Bend	trans	-85	102.3	166.5	-68	-164.9	174.8	-157.5	0	108.2	L254 D1086	L254-K256 VanDerWaalsContact C-N 3.32Å; L254-K256 CarbonylContact O-C 3.46Å; L254-K256 PolarHBondContact O-N 3.27Å; K256-D1086 WeakPolarHBondContact CE-OD1 3.49Å; K256-D1086 WeakPolarHBondContact CE-OD2 3.13Å; K256-D1086 IonicContact NZ-OD1 3.86Å; K256-D1086 PolarHBondContact NZ-OD1 2.62Å; K256-D1086 IonicContact NZ-OD2 3.08Å; K256-D1086 PolarHBondContact NZ-OD2 3.43Å
257	G	74.9	Confident	91.8	Very high	23 Å²	23	14 Å²	14	24%	0.237	7%	0.073	C	C	.	.			trans	-67.7	155.8	-177	0	0	0	0	0	112.5	L255	L255-G257 PolarHBondContact O-N 3.3Å
258	P	86.1	Confident	91.9	Very high	5 Å²	5	14 Å²	14	3%	0.032	7%	0.072	C	C	.	.			trans	-72.8	171	173.9	32	-36.4	0	0	0	112.1	E219 W232 E251 T260 R261	E219-P258 WeakPolarHBondContact OE1-CB 3.46Å; E219-P258 WeakPolarHBondContact OE2-CB 3.32Å; E219-P258 VanDerWaalsContact OE2-CG 3.27Å; E219-P258 WeakPolarHBondContact OE2-CG 3.44Å; W232-P258 HydrophobicContact CD2-CB 3.87Å; W232-P258 HydrophobicContact CE3-CB 3.69Å; W232-P258 HydrophobicContact CG-CB 4.38Å; W232-P258 HydrophobicContact CH2-CB 4.45Å; W232-P258 HydrophobicContact CZ3-CB 4Å; E251-P258 HydrophobicContact CB-CG 4.18Å; E251-P258 WeakPolarHBondContact O-CD 3.1Å; P258-T260 PolarHBondContact O-N 2.96Å; P258-R261 PolarHBondContact O-NH1 2.98Å
259	N	90.8	Very high	91.9	Very high	62 Å²	62	13.6 Å²	13.6	33%	0.332	7%	0.071	S	C	.	.	S	Bend	trans	-83.1	13	172.5	-69.9	-18.9	0	0	0	112.5	Y121 W232 E234	Y121-N259 VanDerWaalsContact CE1-O 3.24Å; Y121-N259 WeakPolarHBondContact CE1-O 3.38Å; Y121-N259 PolarHBondContact OH-O 3.17Å; W232-N259 HydrophobicContact CB-CB 4.07Å; W232-N259 PolarHBondContact O-ND2 2.75Å; E234-N259 HydrophobicContact CG-CB 4.2Å
260	T	93.8	Very high	91.9	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.006	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	138.5	171.2	-62.7	0	0	0	0	110.8	E219 R235 I237 P258 F262	E219-T260 PolarHBondContact OE1-OG1 2.86Å; E219-T260 WeakPolarHBondContact OE2-CB 3.47Å; E219-T260 PolarHBondContact OE2-OG1 3.39Å; R235-T260 HydrophobicContact CB-CG2 4.39Å; R235-T260 CarbonylContact O-C 3.51Å; R235-T260 VanDerWaalsContact O-CA 3.32Å; R235-T260 WeakPolarHBondContact O-CA 3.39Å; I237-T260 HydrophobicContact CD1-CG2 3.56Å; I237-T260 HydrophobicContact CG1-CG2 3.94Å; P258-T260 PolarHBondContact O-N 2.96Å; T260-F262 HydrophobicContact CG2-CE1 4.31Å; T260-F262 HydrophobicContact CG2-CE2 4.22Å; T260-F262 HydrophobicContact CG2-CZ 3.89Å
261	R	95.4	Very high	91.9	Very high	19 Å²	19	13.6 Å²	13.6	7%	0.072	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.5	174.5	-64.8	-66	-177.9	-89.5	6.2	110.2	Y121 R235 L236 I237 P258 L399 E400	Y121-R261 HydrophobicContact CD1-CB 3.87Å; Y121-R261 HydrophobicContact CD1-CG 4.06Å; Y121-R261 HydrophobicContact CD2-CG 4.44Å; Y121-R261 HydrophobicContact CE1-CB 3.69Å; Y121-R261 HydrophobicContact CE1-CG 3.48Å; Y121-R261 VanDerWaalsContact CE1-CG 3.48Å; Y121-R261 HydrophobicContact CE2-CG 3.92Å; Y121-R261 HydrophobicContact CG-CB 4.44Å; Y121-R261 HydrophobicContact CG-CG 4.5Å; R235-R261 PolarHBondContact O-N 3.25Å; L236-R261 WeakPolarHBondContact CA-O 3.46Å; I237-R261 PolarHBondContact N-O 3.08Å; P258-R261 PolarHBondContact O-NH1 2.98Å; R261-L399 HydrophobicContact CB-CB 4.22Å; R261-L399 HydrophobicContact CB-CD2 3.99Å; R261-L399 WeakPolarHBondContact CD-O 3.44Å; R261-L399 HydrophobicContact CG-CB 4.26Å; R261-E400 IonicContact CZ-OE2 3.97Å; R261-E400 IonicContact NE-OE2 2.63Å; R261-E400 PolarHBondContact NE-OE2 3.19Å; R261-E400 IonicContact NH2-OE1 3.09Å; R261-E400 PolarHBondContact NH2-OE1 2.84Å; R261-E400 IonicContact NH2-OE2 3.51Å; R261-E400 PolarHBondContact NH2-OE2 3.29Å
262	F	95.4	Very high	92	Very high	7 Å²	7	13.6 Å²	13.6	3%	0.031	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.4	-171.4	-60.2	-85.5	0	0	0	110.4	I237 V242 R246 I249 Q252 T260 V403	I237-F262 HydrophobicContact CB-CD1 3.74Å; I237-F262 HydrophobicContact CB-CE1 3.9Å; I237-F262 HydrophobicContact CD1-CD1 4.35Å; I237-F262 HydrophobicContact CD1-CE1 3.62Å; I237-F262 HydrophobicContact CD1-CZ 4.23Å; I237-F262 HydrophobicContact CG1-CE1 4.29Å; I237-F262 HydrophobicContact CG2-CD1 4.01Å; I237-F262 HydrophobicContact CG2-CE1 4.16Å; I237-F262 CarbonylContact O-C 3.54Å; I237-F262 WeakPolarHBondContact O-CA 3.27Å; V242-F262 HydrophobicContact CG1-CB 3.81Å; V242-F262 HydrophobicContact CG2-CB 3.97Å; V242-F262 HydrophobicContact CG2-CD1 3.64Å; V242-F262 HydrophobicContact CG2-CG 4.25Å; R246-F262 HydrophobicContact CB-CD1 4.3Å; R246-F262 HydrophobicContact CB-CE1 4.06Å; R246-F262 HydrophobicContact CB-CZ 4.21Å; R246-F262 HydrophobicContact CG-CD2 4.23Å; R246-F262 HydrophobicContact CG-CE1 4.08Å; R246-F262 HydrophobicContact CG-CE2 3.79Å; R246-F262 HydrophobicContact CG-CZ 3.7Å; I249-F262 HydrophobicContact CD1-CE1 3.4Å; I249-F262 HydrophobicContact CD1-CZ 3.69Å; Q252-F262 VanDerWaalsContact CD-CE2 3.48Å; Q252-F262 HydrophobicContact CG-CE2 4.27Å; Q252-F262 HydrophobicContact CG-CZ 3.94Å; T260-F262 HydrophobicContact CG2-CE1 4.31Å; T260-F262 HydrophobicContact CG2-CE2 4.22Å; T260-F262 HydrophobicContact CG2-CZ 3.89Å; F262-V403 HydrophobicContact CD2-CG1 4.11Å; F262-V403 HydrophobicContact CE2-CG1 4.34Å
263	M	94.8	Very high	91.9	Very high	9 Å²	9	13.5 Å²	13.5	4%	0.044	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.9	173.1	-176.2	158.4	46.7	0	0	110.3	A125 L236 I237 V238 G239 L268 F378 L382 F395	A125-M263 HydrophobicContact CB-CE 4.21Å; L236-M263 HydrophobicContact CD1-CB 4.07Å; L236-M263 HydrophobicContact CD1-CE 4.37Å; L236-M263 HydrophobicContact CD2-CE 3.87Å; I237-M263 PolarHBondContact O-N 2.86Å; V238-M263 WeakPolarHBondContact CA-O 3.39Å; V238-M263 HydrophobicContact CG2-CB 4.45Å; V238-M263 HydrophobicContact CG2-CE 4.26Å; G239-M263 PolarHBondContact N-O 2.69Å; M263-L268 HydrophobicContact CG-CD1 4.01Å; M263-L268 HydrophobicContact CG-CD2 4.46Å; M263-L268 HydrophobicContact CG-CG 4.33Å; M263-L268 HydrophobicContact SD-CD1 3.96Å; M263-L268 HydrophobicContact SD-CD2 4.24Å; M263-F378 HydrophobicContact CE-CD2 4.33Å; M263-F378 HydrophobicContact CE-CE2 3.16Å; M263-F378 HydrophobicContact CE-CZ 3.33Å; M263-F378 HydrophobicContact SD-CE2 3.99Å; M263-L382 HydrophobicContact CE-CD1 4.4Å; M263-F395 HydrophobicContact CE-CE2 4.32Å; M263-F395 HydrophobicContact SD-CE2 3.77Å
264	D	94.4	Very high	91.8	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.016	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.2	-170.5	175.2	14.2	0	0	0	110.3	G239 H240 V242 M266 S267 L268	G239-D264 WeakPolarHBondContact O-CA 3.08Å; H240-D264 VanDerWaalsContact C-OD1 3.29Å; V242-D264 HydrophobicContact CB-CB 4.47Å; V242-D264 HydrophobicContact CG1-CB 3.72Å; D264-M266 PolarHBondContact O-N 3.33Å; D264-M266 VanDerWaalsContact OD1-CB 3.32Å; D264-M266 WeakPolarHBondContact OD1-CB 3.3Å; D264-M266 PolarHBondContact OD1-N 3.17Å; D264-S267 WeakPolarHBondContact O-CB 3.32Å; D264-S267 PolarHBondContact O-N 3.07Å; D264-S267 VanDerWaalsContact O-N 3.12Å; D264-S267 WeakPolarHBondContact OD2-CB 3.42Å; D264-S267 PolarHBondContact OD2-N 3.16Å; D264-S267 VanDerWaalsContact OD2-N 3.17Å; D264-S267 PolarHBondContact OD2-OG 2.92Å; D264-L268 WeakPolarHBondContact O-CG 3.39Å; D264-L268 PolarHBondContact O-N 3.37Å
265	T	95.9	Very high	91.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.5	-24.9	177.9	63.4	0	0	0	0	112.5	V238 G239 H240 H269 T374 F378 Q381	V238-T265 HydrophobicContact CG1-CG2 3.9Å; G239-T265 PolarHBondContact O-N 3.22Å; G239-T265 PolarHBondContact O-OG1 3.35Å; H240-T265 VanDerWaalsContact CA-OG1 3.3Å; H240-T265 WeakPolarHBondContact CA-OG1 3.42Å; H240-T265 PolarHBondContact ND1-OG1 3.05Å; T265-H269 VanDerWaalsContact O-CB 3.27Å; T265-H269 WeakPolarHBondContact O-CB 3.42Å; T265-H269 PolarHBondContact O-N 3.05Å; T265-T374 HydrophobicContact CG2-CG2 4.1Å; T265-F378 HydrophobicContact CG2-CB 3.82Å; T265-F378 HydrophobicContact CG2-CD2 4.18Å; T265-F378 HydrophobicContact CG2-CG 4.44Å; T265-Q381 PolarHBondContact O-OE1 3.24Å
266	M	94.4	Very high	91.6	Very high	17 Å²	17	13.7 Å²	13.7	8%	0.084	7%	0.074	C	C	.	.	H	α-helix	trans	-67.9	-43.3	170.2	171.6	-179.9	45.9	0	0	111	H240 N241 D264 H269 M270 N325 I805	H240-M266 WeakPolarHBondContact O-CB 3.43Å; N241-M266 HydrophobicContact CB-CE 4.04Å; N241-M266 WeakPolarHBondContact OD1-CE 3.5Å; D264-M266 PolarHBondContact O-N 3.33Å; D264-M266 VanDerWaalsContact OD1-CB 3.32Å; D264-M266 WeakPolarHBondContact OD1-CB 3.3Å; D264-M266 PolarHBondContact OD1-N 3.17Å; M266-H269 PolarHBondContact O-N 3.26Å; M266-M270 WeakPolarHBondContact O-CG 3.29Å; M266-M270 PolarHBondContact O-N 2.99Å; M266-N325 HydrophobicContact CG-CB 4.06Å; M266-N325 HydrophobicContact SD-CB 4.05Å; M266-I805 HydrophobicContact CE-CD1 3.7Å; M266-I805 HydrophobicContact CE-CG1 3.94Å; M266-I805 HydrophobicContact CE-CG2 4.15Å; M266-I805 HydrophobicContact SD-CD1 4.28Å
267	S	94.6	Very high	91.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-44.1	175.2	-69.2	0	0	0	0	112	D264 H269 M270 A271 I805 T806 A807	D264-S267 WeakPolarHBondContact O-CB 3.32Å; D264-S267 PolarHBondContact O-N 3.07Å; D264-S267 VanDerWaalsContact O-N 3.12Å; D264-S267 WeakPolarHBondContact OD2-CB 3.42Å; D264-S267 PolarHBondContact OD2-N 3.16Å; D264-S267 VanDerWaalsContact OD2-N 3.17Å; D264-S267 PolarHBondContact OD2-OG 2.92Å; S267-H269 PolarHBondContact O-N 2.66Å; S267-M270 PolarHBondContact O-N 3.06Å; S267-A271 PolarHBondContact O-N 3.26Å; S267-I805 VanDerWaalsContact OG-CG2 3.24Å; S267-I805 WeakPolarHBondContact OG-CG2 3.27Å; S267-T806 WeakPolarHBondContact CB-OG1 3.41Å; S267-T806 PolarHBondContact OG-N 3.13Å; S267-T806 PolarHBondContact OG-OG1 2.68Å; S267-A807 PolarHBondContact OG-N 2.84Å
268	L	95.4	Very high	91.6	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-45.1	174.5	-63.7	-179.7	0	0	0	111	M263 D264 M270 A271 I272 F378 Q381 F385 M398	M263-L268 HydrophobicContact CG-CD1 4.01Å; M263-L268 HydrophobicContact CG-CD2 4.46Å; M263-L268 HydrophobicContact CG-CG 4.33Å; M263-L268 HydrophobicContact SD-CD1 3.96Å; M263-L268 HydrophobicContact SD-CD2 4.24Å; D264-L268 WeakPolarHBondContact O-CG 3.39Å; D264-L268 PolarHBondContact O-N 3.37Å; L268-M270 VanDerWaalsContact C-N 3.35Å; L268-M270 PolarHBondContact O-N 2.88Å; L268-A271 PolarHBondContact O-N 3.03Å; L268-I272 WeakPolarHBondContact O-CD1 3.18Å; L268-I272 VanDerWaalsContact O-CG1 3.27Å; L268-I272 WeakPolarHBondContact O-CG1 3.43Å; L268-I272 PolarHBondContact O-N 3.4Å; L268-F378 HydrophobicContact CD1-CD2 4.13Å; L268-F378 HydrophobicContact CD1-CE2 4.19Å; L268-Q381 HydrophobicContact CB-CB 4.46Å; L268-Q381 HydrophobicContact CD1-CB 4.39Å; L268-F385 HydrophobicContact CD2-CB 4.12Å; L268-F385 HydrophobicContact CD2-CD1 4Å; L268-F385 HydrophobicContact CD2-CD2 3.51Å; L268-F385 HydrophobicContact CD2-CE1 4.32Å; L268-F385 HydrophobicContact CD2-CE2 3.86Å; L268-F385 HydrophobicContact CD2-CG 3.59Å; L268-F385 HydrophobicContact CD2-CZ 4.25Å; L268-M398 HydrophobicContact CD2-CE 4.5Å
269	H	95.4	Very high	91.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-58.3	-44.5	175.1	171	58.7	0	0	0	112.2	T265 M266 S267 A271 I272 S273 G274 S323 V330 Y334	T265-H269 VanDerWaalsContact O-CB 3.27Å; T265-H269 WeakPolarHBondContact O-CB 3.42Å; T265-H269 PolarHBondContact O-N 3.05Å; M266-H269 PolarHBondContact O-N 3.26Å; S267-H269 PolarHBondContact O-N 2.66Å; H269-A271 VanDerWaalsContact C-N 3.32Å; H269-A271 PolarHBondContact O-N 3.46Å; H269-I272 PolarHBondContact O-N 2.98Å; H269-S273 CarbonylContact O-C 3.56Å; H269-S273 PolarHBondContact O-N 2.73Å; H269-G274 PolarHBondContact O-N 3.13Å; H269-G274 VanDerWaalsContact O-N 3.15Å; H269-S323 PolarHBondContact CE1-OG 3.25Å; H269-S323 PolarHBondContact NE2-O 3.23Å; H269-S323 PolarHBondContact NE2-OG 2.69Å; H269-V330 HydrophobicContact CB-CG1 4.3Å; H269-V330 HydrophobicContact CB-CG2 4.37Å; H269-Y334 HydrophobicContact CB-CE2 4.4Å; H269-Y334 AromaticContact ND1-CE2 3.47Å; H269-Y334 WeakPolarHBondContact ND1-CE2 3.46Å; H269-Y334 AromaticContact ND1-CZ 3.83Å; H269-Y334 PolarHBondContact ND1-OH 2.71Å
270	M	93.3	Very high	91	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-61.4	-38.8	177	-76.1	-59.8	96.9	0	0	112.8	M266 S267 L268 G274 N325 A807	M266-M270 WeakPolarHBondContact O-CG 3.29Å; M266-M270 PolarHBondContact O-N 2.99Å; S267-M270 PolarHBondContact O-N 3.06Å; L268-M270 VanDerWaalsContact C-N 3.35Å; L268-M270 PolarHBondContact O-N 2.88Å; M270-G274 VanDerWaalsContact O-CA 3.32Å; M270-G274 WeakPolarHBondContact O-CA 3.22Å; M270-G274 PolarHBondContact O-N 2.85Å; M270-G274 VanDerWaalsContact O-N 3.12Å; M270-N325 HydrophobicContact CE-CB 4.29Å; M270-N325 WeakPolarHBondContact CE-OD1 3.25Å; M270-N325 PolarHBondContact SD-ND2 2.75Å; M270-N325 PolarHBondContact SD-OD1 2.84Å; M270-N325 VanDerWaalsContact SD-OD1 3.38Å; M270-A807 WeakPolarHBondContact CB-O 3.46Å
271	A	93.5	Very high	90.3	Very high	6 Å²	6	19.8 Å²	19.8	5%	0.05	11%	0.11	C	C	.	.	H	α-helix	trans	-68	-37.2	174.9	0	0	0	0	0	112.7	S267 L268 H269 F385 R812	S267-A271 PolarHBondContact O-N 3.26Å; L268-A271 PolarHBondContact O-N 3.03Å; H269-A271 VanDerWaalsContact C-N 3.32Å; H269-A271 PolarHBondContact O-N 3.46Å; A271-F385 HydrophobicContact CB-CD2 4.26Å; A271-F385 HydrophobicContact CB-CE2 4.17Å; A271-R812 HydrophobicContact CB-CG 4.33Å
272	I	94.3	Very high	89.4	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-83.3	-52.9	-176.1	-64.3	161.6	0	0	0	112.4	L268 H269 Y334 Q381 L384 F385 S1040 R1041	L268-I272 WeakPolarHBondContact O-CD1 3.18Å; L268-I272 VanDerWaalsContact O-CG1 3.27Å; L268-I272 WeakPolarHBondContact O-CG1 3.43Å; L268-I272 PolarHBondContact O-N 3.4Å; H269-I272 PolarHBondContact O-N 2.98Å; I272-Y334 HydrophobicContact CG2-CE1 4.41Å; I272-Y334 WeakPolarHBondContact CG2-OH 3.4Å; I272-Q381 HydrophobicContact CD1-CB 4.06Å; I272-Q381 HydrophobicContact CD1-CG 4.2Å; I272-Q381 WeakPolarHBondContact CD1-O 3.3Å; I272-L384 HydrophobicContact CD1-CB 3.92Å; I272-L384 HydrophobicContact CG1-CB 4.41Å; I272-L384 HydrophobicContact CG2-CB 4.39Å; I272-F385 HydrophobicContact CD1-CB 4.09Å; I272-F385 HydrophobicContact CG1-CB 4.44Å; I272-S1040 WeakPolarHBondContact O-CA 3.5Å; I272-R1041 WeakPolarHBondContact O-CG 3.24Å; I272-R1041 PolarHBondContact O-N 3.3Å
273	S	92.8	Very high	88.8	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-135.8	22.9	-168.4	-91.4	0	0	0	0	112.7	H269 M321 S322 S1040 R1041	H269-S273 CarbonylContact O-C 3.56Å; H269-S273 PolarHBondContact O-N 2.73Å; S273-M321 PolarHBondContact OG-O 3.38Å; S273-S322 WeakPolarHBondContact O-CB 3.3Å; S273-S322 PolarHBondContact O-OG 3.48Å; S273-S1040 VanDerWaalsContact C-OG 3.22Å; S273-S1040 WeakPolarHBondContact CA-OG 3.39Å; S273-R1041 VanDerWaalsContact OG-CZ 3.22Å; S273-R1041 PolarHBondContact OG-NE 2.95Å; S273-R1041 PolarHBondContact OG-NH2 3.23Å
274	G	90.9	Very high	88	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-62.5	151.8	179.4	0	0	0	0	0	114.1	H269 M270 S1040	H269-G274 PolarHBondContact O-N 3.13Å; H269-G274 VanDerWaalsContact O-N 3.15Å; M270-G274 VanDerWaalsContact O-CA 3.32Å; M270-G274 WeakPolarHBondContact O-CA 3.22Å; M270-G274 PolarHBondContact O-N 2.85Å; M270-G274 VanDerWaalsContact O-N 3.12Å; G274-S1040 PolarHBondContact N-OG 3.02Å; G274-S1040 VanDerWaalsContact N-OG 3.15Å; G274-S1040 WeakPolarHBondContact O-CB 3.45Å; G274-S1040 PolarHBondContact O-OG 2.77Å
275	L	88.8	Confident	87.1	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.021	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-103.5	142.2	176.2	-65.8	176.6	0	0	0	111.6	Q279 R280 W283 W318 S322 V810 A1042	L275-Q279 HydrophobicContact CB-CB 4.23Å; L275-Q279 HydrophobicContact CD2-CB 4.01Å; L275-R280 HydrophobicContact CB-CB 4.32Å; L275-W283 HydrophobicContact CD1-CB 3.89Å; L275-W283 HydrophobicContact CD1-CG 3.89Å; L275-W318 HydrophobicContact CD2-CE3 4.12Å; L275-W318 HydrophobicContact CD2-CZ3 4.05Å; L275-S322 WeakPolarHBondContact CD2-OG 3.21Å; L275-S322 WeakPolarHBondContact CG-OG 3.47Å; L275-V810 WeakPolarHBondContact O-CG2 3.4Å; L275-A1042 HydrophobicContact CD2-CB 3.94Å
276	T	86.4	Confident	86.1	Confident	24 Å²	24	27.8 Å²	27.8	15%	0.147	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-67	161.5	166.3	61.6	0	0	0	0	110.9	F278 Q279 R280 V810 L1043	T276-F278 VanDerWaalsContact C-N 3.26Å; T276-F278 PolarHBondContact O-N 2.91Å; T276-Q279 VanDerWaalsContact N-OE1 3.14Å; T276-Q279 PolarHBondContact O-N 3.27Å; T276-Q279 WeakPolarHBondContact OG1-CB 3.32Å; T276-Q279 VanDerWaalsContact OG1-CG 3.23Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.49Å; T276-Q279 PolarHBondContact OG1-N 3.1Å; T276-Q279 PolarHBondContact OG1-OE1 3.5Å; T276-R280 WeakPolarHBondContact O-CB 3.14Å; T276-R280 PolarHBondContact O-N 2.94Å; T276-V810 HydrophobicContact CG2-CG2 4.32Å; T276-L1043 HydrophobicContact CG2-CD1 3.83Å; T276-L1043 HydrophobicContact CG2-CD2 4.31Å
277	A	79.4	Confident	84.9	Confident	76 Å²	76	32.9 Å²	32.9	63%	0.628	18%	0.176	S	C	*	.	H	α-helix	trans	-54.4	-43.7	179	0	0	0	0	0	112.4	R280 T281	A277-R280 PolarHBondContact O-N 3Å; A277-T281 PolarHBondContact O-N 2.77Å; A277-T281 PolarHBondContact O-OG1 2.94Å
278	F	78.3	Confident	83.5	Confident	80 Å²	80	38.5 Å²	38.5	35%	0.351	21%	0.205	S	C	.	.	H	α-helix	trans	-68	-46.6	177.6	-176.4	-102.2	0	0	0	112.1	T276 R280 T281 L282 F1052	T276-F278 VanDerWaalsContact C-N 3.26Å; T276-F278 PolarHBondContact O-N 2.91Å; F278-R280 PolarHBondContact O-N 2.49Å; F278-T281 WeakPolarHBondContact O-CB 3.27Å; F278-T281 PolarHBondContact O-N 2.71Å; F278-T281 VanDerWaalsContact O-N 3.14Å; F278-L282 HydrophobicContact CD1-CD1 3.87Å; F278-L282 HydrophobicContact CD1-CG 4.2Å; F278-L282 HydrophobicContact CE1-CD1 3.57Å; F278-L282 HydrophobicContact CE1-CD2 4.28Å; F278-L282 HydrophobicContact CE1-CG 4.01Å; F278-L282 HydrophobicContact CZ-CD1 4.31Å; F278-L282 HydrophobicContact CZ-CD2 4.22Å; F278-L282 HydrophobicContact CZ-CG 4.37Å; F278-L282 WeakPolarHBondContact O-CG 3.39Å; F278-L282 PolarHBondContact O-N 2.88Å; F278-F1052 AromaticContact CD1-CE1 3.6Å; F278-F1052 HydrophobicContact CD1-CE1 3.6Å; F278-F1052 HydrophobicContact CD1-CZ 4.23Å; F278-F1052 AromaticContact CE1-CE1 3.85Å; F278-F1052 HydrophobicContact CE1-CE1 3.85Å; F278-F1052 HydrophobicContact CE1-CZ 4.25Å
279	Q	81.6	Confident	81.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-34.2	175.6	-72.9	172.5	-55.9	0	0	112.5	L275 T276 L282 W283 W318 A1042 F1052	L275-Q279 HydrophobicContact CB-CB 4.23Å; L275-Q279 HydrophobicContact CD2-CB 4.01Å; T276-Q279 VanDerWaalsContact N-OE1 3.14Å; T276-Q279 PolarHBondContact O-N 3.27Å; T276-Q279 WeakPolarHBondContact OG1-CB 3.32Å; T276-Q279 VanDerWaalsContact OG1-CG 3.23Å; T276-Q279 WeakPolarHBondContact OG1-CG 3.49Å; T276-Q279 PolarHBondContact OG1-N 3.1Å; T276-Q279 PolarHBondContact OG1-OE1 3.5Å; Q279-L282 WeakPolarHBondContact O-CB 3.42Å; Q279-L282 PolarHBondContact O-N 3.44Å; Q279-W283 VanDerWaalsContact O-CB 3.31Å; Q279-W283 WeakPolarHBondContact O-CB 3.43Å; Q279-W283 PolarHBondContact O-N 3.22Å; Q279-W318 HydrophobicContact CB-CE3 4.49Å; Q279-W318 HydrophobicContact CB-CH2 4.06Å; Q279-W318 HydrophobicContact CB-CZ3 3.78Å; Q279-W318 HydrophobicContact CG-CE3 4.4Å; Q279-W318 HydrophobicContact CG-CH2 4.16Å; Q279-W318 HydrophobicContact CG-CZ3 4.02Å; Q279-A1042 PolarHBondContact NE2-O 2.87Å; Q279-A1042 VanDerWaalsContact NE2-O 3.1Å; Q279-F1052 HydrophobicContact CG-CE1 4.31Å; Q279-F1052 HydrophobicContact CG-CE2 4.4Å; Q279-F1052 HydrophobicContact CG-CZ 4.13Å
280	R	82.6	Confident	79.7	Confident	73 Å²	73	47.9 Å²	47.9	28%	0.275	26%	0.263	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.1	-172.7	-177.9	-69.1	143.2	-5	111.4	L275 T276 A277 F278 L282 W283 M284 N325	L275-R280 HydrophobicContact CB-CB 4.32Å; T276-R280 WeakPolarHBondContact O-CB 3.14Å; T276-R280 PolarHBondContact O-N 2.94Å; A277-R280 PolarHBondContact O-N 3Å; F278-R280 PolarHBondContact O-N 2.49Å; R280-L282 VanDerWaalsContact C-N 3.33Å; R280-L282 PolarHBondContact O-N 2.96Å; R280-W283 PolarHBondContact O-N 3.43Å; R280-M284 HydrophobicContact CG-CE 4.44Å; R280-M284 WeakPolarHBondContact O-CB 3.44Å; R280-M284 WeakPolarHBondContact O-CG 3.36Å; R280-M284 PolarHBondContact O-N 3.25Å; R280-N325 PolarHBondContact NH2-OD1 3.45Å
281	T	78.6	Confident	77.5	Confident	93 Å²	93	56.4 Å²	56.4	57%	0.571	30%	0.3	S	S	*	.	H	α-helix	trans	-61.1	-43.3	174.1	-54.6	0	0	0	0	111.4	A277 F278 M284 A285	A277-T281 PolarHBondContact O-N 2.77Å; A277-T281 PolarHBondContact O-OG1 2.94Å; F278-T281 WeakPolarHBondContact O-CB 3.27Å; F278-T281 PolarHBondContact O-N 2.71Å; F278-T281 VanDerWaalsContact O-N 3.14Å; T281-M284 PolarHBondContact O-N 2.7Å; T281-A285 WeakPolarHBondContact O-CB 3.27Å; T281-A285 PolarHBondContact O-N 3.22Å
282	L	77.3	Confident	75.3	Confident	10 Å²	10	66 Å²	66	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-61.1	-47.1	175.8	-67.4	-175.7	0	0	0	112.3	F278 Q279 R280 A285 N286 V297 W318 F1052	F278-L282 HydrophobicContact CD1-CD1 3.87Å; F278-L282 HydrophobicContact CD1-CG 4.2Å; F278-L282 HydrophobicContact CE1-CD1 3.57Å; F278-L282 HydrophobicContact CE1-CD2 4.28Å; F278-L282 HydrophobicContact CE1-CG 4.01Å; F278-L282 HydrophobicContact CZ-CD1 4.31Å; F278-L282 HydrophobicContact CZ-CD2 4.22Å; F278-L282 HydrophobicContact CZ-CG 4.37Å; F278-L282 WeakPolarHBondContact O-CG 3.39Å; F278-L282 PolarHBondContact O-N 2.88Å; Q279-L282 WeakPolarHBondContact O-CB 3.42Å; Q279-L282 PolarHBondContact O-N 3.44Å; R280-L282 VanDerWaalsContact C-N 3.33Å; R280-L282 PolarHBondContact O-N 2.96Å; L282-A285 PolarHBondContact O-N 3.23Å; L282-N286 PolarHBondContact O-N 2.9Å; L282-V297 HydrophobicContact CD2-CB 3.9Å; L282-V297 HydrophobicContact CD2-CG1 3.42Å; L282-V297 VanDerWaalsContact CD2-CG1 3.42Å; L282-V297 HydrophobicContact CD2-CG2 3.14Å; L282-W318 HydrophobicContact CB-CH2 3.77Å; L282-W318 HydrophobicContact CB-CZ2 4.34Å; L282-W318 HydrophobicContact CD1-CH2 3.97Å; L282-W318 HydrophobicContact CD1-CZ2 3.86Å; L282-F1052 HydrophobicContact CD1-CZ 4.25Å
283	W	82.6	Confident	73.2	Confident	22 Å²	22	66.8 Å²	66.8	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-62	-45.3	179.7	-171	103.5	0	0	0	111.1	L275 Q279 R280 A285 N286 K287 V319 S322 I324	L275-W283 HydrophobicContact CD1-CB 3.89Å; L275-W283 HydrophobicContact CD1-CG 3.89Å; Q279-W283 VanDerWaalsContact O-CB 3.31Å; Q279-W283 WeakPolarHBondContact O-CB 3.43Å; Q279-W283 PolarHBondContact O-N 3.22Å; R280-W283 PolarHBondContact O-N 3.43Å; W283-A285 PolarHBondContact O-N 2.96Å; W283-N286 PolarHBondContact O-N 2.92Å; W283-K287 HydrophobicContact CE3-CB 4.36Å; W283-K287 HydrophobicContact CE3-CD 4.31Å; W283-K287 HydrophobicContact CH2-CD 3.27Å; W283-K287 HydrophobicContact CZ2-CD 4Å; W283-K287 HydrophobicContact CZ3-CB 4.21Å; W283-K287 HydrophobicContact CZ3-CD 3.41Å; W283-K287 VanDerWaalsContact CZ3-CD 3.41Å; W283-K287 HydrophobicContact CZ3-CG 4.43Å; W283-K287 PolarHBondContact O-N 3.49Å; W283-V319 HydrophobicContact CG-CG1 4.48Å; W283-V319 PolarHBondContact NE1-O 3.36Å; W283-S322 PolarHBondContact NE1-O 3Å; W283-I324 HydrophobicContact CD2-CG1 4.31Å; W283-I324 HydrophobicContact CE3-CD1 3.49Å; W283-I324 VanDerWaalsContact CE3-CD1 3.49Å; W283-I324 HydrophobicContact CE3-CG1 3.61Å; W283-I324 HydrophobicContact CH2-CD1 4.1Å; W283-I324 HydrophobicContact CH2-CG1 4.06Å; W283-I324 HydrophobicContact CZ3-CB 4.41Å; W283-I324 HydrophobicContact CZ3-CD1 3.19Å; W283-I324 HydrophobicContact CZ3-CG1 3.49Å; W283-I324 VanDerWaalsContact CZ3-CG1 3.49Å
284	M	78.1	Confident	71	Confident	83 Å²	83	69.9 Å²	69.9	41%	0.409	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-42.3	175.2	-76.8	-173.5	172.5	0	0	112.2	R280 T281 N286 L288 I324	R280-M284 HydrophobicContact CG-CE 4.44Å; R280-M284 WeakPolarHBondContact O-CB 3.44Å; R280-M284 WeakPolarHBondContact O-CG 3.36Å; R280-M284 PolarHBondContact O-N 3.25Å; T281-M284 PolarHBondContact O-N 2.7Å; M284-N286 VanDerWaalsContact C-N 3.29Å; M284-N286 PolarHBondContact O-N 3.35Å; M284-L288 VanDerWaalsContact O-CB 3.3Å; M284-L288 WeakPolarHBondContact O-CB 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.3Å; M284-L288 PolarHBondContact O-N 2.93Å; M284-I324 HydrophobicContact CE-CD1 3.5Å; M284-I324 VanDerWaalsContact CE-CD1 3.5Å; M284-I324 HydrophobicContact CG-CD1 3.72Å; M284-I324 HydrophobicContact SD-CD1 4.48Å
285	A	75.6	Confident	69.2	Low	17 Å²	17	75.8 Å²	75.8	14%	0.14	39%	0.386	C	S	.	.	H	α-helix	trans	-63	-37.9	177.8	0	0	0	0	0	112	T281 L282 W283 G289 K290	T281-A285 WeakPolarHBondContact O-CB 3.27Å; T281-A285 PolarHBondContact O-N 3.22Å; L282-A285 PolarHBondContact O-N 3.23Å; W283-A285 PolarHBondContact O-N 2.96Å; A285-G289 PolarHBondContact O-N 3.42Å; A285-K290 PolarHBondContact O-N 2.91Å
286	N	74.1	Confident	67.4	Low	74 Å²	74	81.7 Å²	81.7	40%	0.396	41%	0.414	S	S	.	.	H	α-helix	trans	-68	-51	177.2	-166.1	41	0	0	0	111.7	L282 W283 M284 L288 G289	L282-N286 PolarHBondContact O-N 2.9Å; W283-N286 PolarHBondContact O-N 2.92Å; M284-N286 VanDerWaalsContact C-N 3.29Å; M284-N286 PolarHBondContact O-N 3.35Å; N286-L288 PolarHBondContact O-N 3.12Å; N286-G289 PolarHBondContact O-N 2.94Å
287	K	70.1	Confident	65.7	Low	125 Å²	125	81.4 Å²	81.4	54%	0.543	41%	0.412	S	S	.	.	H	α-helix	trans	-66.7	-34.6	-177.5	-168.6	170.7	-178.1	168.9	0	113.2	W283 G289 D329	W283-K287 HydrophobicContact CE3-CB 4.36Å; W283-K287 HydrophobicContact CE3-CD 4.31Å; W283-K287 HydrophobicContact CH2-CD 3.27Å; W283-K287 HydrophobicContact CZ2-CD 4Å; W283-K287 HydrophobicContact CZ3-CB 4.21Å; W283-K287 HydrophobicContact CZ3-CD 3.41Å; W283-K287 VanDerWaalsContact CZ3-CD 3.41Å; W283-K287 HydrophobicContact CZ3-CG 4.43Å; W283-K287 PolarHBondContact O-N 3.49Å; K287-G289 VanDerWaalsContact C-N 3.33Å; K287-D329 IonicContact NZ-OD1 3.26Å; K287-D329 PolarHBondContact NZ-OD1 3.3Å
288	L	65.2	Low	64.3	Low	117 Å²	117	83.8 Å²	83.8	61%	0.613	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	1.4	179.4	-66.5	170.1	0	0	0	113.8	M284 N286 K290	M284-L288 VanDerWaalsContact O-CB 3.3Å; M284-L288 WeakPolarHBondContact O-CB 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.3Å; M284-L288 PolarHBondContact O-N 2.93Å; N286-L288 PolarHBondContact O-N 3.12Å; L288-K290 HydrophobicContact CB-CG 4.38Å; L288-K290 PolarHBondContact O-N 3.12Å
289	G	57.3	Low	62.9	Low	61 Å²	61	85 Å²	85	63%	0.629	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	17	177.7	0	0	0	0	0	115.1	A285 N286 K287 K291	A285-G289 PolarHBondContact O-N 3.42Å; N286-G289 PolarHBondContact O-N 2.94Å; K287-G289 VanDerWaalsContact C-N 3.33Å; G289-K291 PolarHBondContact O-N 3.07Å
290	K	51.9	Low	61.2	Low	139 Å²	139	90.2 Å²	90.2	60%	0.604	44%	0.439	S	S	*	.			trans	-77.5	98.3	-176.1	-75.9	-175.4	179.4	177	0	110.2	A285 L288 R292 G293	A285-K290 PolarHBondContact O-N 2.91Å; L288-K290 HydrophobicContact CB-CG 4.38Å; L288-K290 PolarHBondContact O-N 3.12Å; K290-R292 PolarHBondContact O-N 3.19Å; K290-G293 PolarHBondContact O-N 2.81Å; K290-G293 VanDerWaalsContact O-N 3.1Å
291	K	47.4	Very low	59.6	Low	179 Å²	179	91.5 Å²	91.5	78%	0.778	45%	0.451	S	S	*	.	H	α-helix	trans	-47.3	-30.3	174.9	-71.1	-176.9	178.8	177.9	0	114.3	G289 Q295	G289-K291 PolarHBondContact O-N 3.07Å; K291-Q295 PolarHBondContact O-N 3.23Å
292	R	47.7	Very low	58.2	Low	209 Å²	209	95.4 Å²	95.4	79%	0.789	46%	0.46	S	S	*	.	H	α-helix	trans	-62.6	-47.1	177.6	-102.2	-178.8	176.8	169	-1.6	113.6	K290 L294 Q295 E296	K290-R292 PolarHBondContact O-N 3.19Å; R292-L294 VanDerWaalsContact C-N 3.32Å; R292-L294 PolarHBondContact O-N 3.46Å; R292-Q295 PolarHBondContact O-N 3.34Å; R292-Q295 VanDerWaalsContact O-N 3.14Å; R292-E296 PolarHBondContact O-N 2.82Å; R292-E296 VanDerWaalsContact O-N 3.13Å
293	G	51	Low	56.7	Low	16 Å²	16	103.1 Å²	103.1	17%	0.165	49%	0.493	C	S	.	.	H	α-helix	trans	-65.2	-38.3	-180	0	0	0	0	0	111.7	K290 Q295 V297	K290-G293 PolarHBondContact O-N 2.81Å; K290-G293 VanDerWaalsContact O-N 3.1Å; G293-Q295 PolarHBondContact O-N 3.06Å; G293-V297 WeakPolarHBondContact O-CB 3.22Å; G293-V297 WeakPolarHBondContact O-CG2 3.38Å; G293-V297 PolarHBondContact O-N 3.08Å; G293-V297 VanDerWaalsContact O-N 3.12Å
294	L	47.1	Very low	54.6	Low	66 Å²	66	105.8 Å²	105.8	35%	0.346	52%	0.52	S	S	.	.	H	α-helix	trans	-63.6	-28.7	176.2	-143.4	82.6	0	0	0	113	R292 K298 W316	R292-L294 VanDerWaalsContact C-N 3.32Å; R292-L294 PolarHBondContact O-N 3.46Å; L294-K298 WeakPolarHBondContact O-CG 3.33Å; L294-K298 PolarHBondContact O-N 3.36Å; L294-W316 HydrophobicContact CD1-CH2 4.28Å; L294-W316 HydrophobicContact CD1-CZ2 4.31Å
295	Q	51.6	Low	52.7	Low	123 Å²	123	104.6 Å²	104.6	58%	0.575	53%	0.528	S	S	*	.	H	α-helix	trans	-82.6	-43.4	-178	-163.9	144.5	-12.8	0	0	112.1	K291 R292 G293 V297 K298 E299	K291-Q295 PolarHBondContact O-N 3.23Å; R292-Q295 PolarHBondContact O-N 3.34Å; R292-Q295 VanDerWaalsContact O-N 3.14Å; G293-Q295 PolarHBondContact O-N 3.06Å; Q295-V297 PolarHBondContact O-N 2.85Å; Q295-K298 PolarHBondContact O-N 3.21Å; Q295-E299 WeakPolarHBondContact O-CG 3.32Å; Q295-E299 PolarHBondContact O-N 2.83Å
296	E	51	Low	50.9	Low	128 Å²	128	110.1 Å²	110.1	60%	0.598	55%	0.551	S	S	*	*	H	α-helix	trans	-59.3	-36.1	171.6	-70.7	169.7	-170.1	0	0	111.6	R292 E299 H300	R292-E296 PolarHBondContact O-N 2.82Å; R292-E296 VanDerWaalsContact O-N 3.13Å; E296-E299 PolarHBondContact O-N 2.81Å; E296-H300 PolarHBondContact O-N 2.88Å
297	V	50.4	Low	49.1	Very low	19 Å²	19	117.1 Å²	117.1	12%	0.115	58%	0.578	C	S	.	*	H	α-helix	trans	-70.5	-43	176.7	170.1	0	0	0	0	112	L282 G293 Q295 E299 H300 I301	L282-V297 HydrophobicContact CD2-CB 3.9Å; L282-V297 HydrophobicContact CD2-CG1 3.42Å; L282-V297 VanDerWaalsContact CD2-CG1 3.42Å; L282-V297 HydrophobicContact CD2-CG2 3.14Å; G293-V297 WeakPolarHBondContact O-CB 3.22Å; G293-V297 WeakPolarHBondContact O-CG2 3.38Å; G293-V297 PolarHBondContact O-N 3.08Å; G293-V297 VanDerWaalsContact O-N 3.12Å; Q295-V297 PolarHBondContact O-N 2.85Å; V297-E299 PolarHBondContact O-N 3.31Å; V297-H300 PolarHBondContact O-N 2.79Å; V297-I301 HydrophobicContact CG1-CD1 3.78Å; V297-I301 HydrophobicContact CG1-CG1 4.41Å; V297-I301 WeakPolarHBondContact O-CB 3.13Å; V297-I301 VanDerWaalsContact O-CG1 3.31Å; V297-I301 WeakPolarHBondContact O-CG1 3.46Å; V297-I301 PolarHBondContact O-N 3.5Å
298	K	50.5	Low	47.4	Very low	126 Å²	126	119 Å²	119	55%	0.548	58%	0.582	S	S	.	*	H	α-helix	trans	-59.9	-35.4	172.8	-81.4	178.8	-179.8	-179.2	0	111.7	L294 Q295 K302	L294-K298 WeakPolarHBondContact O-CG 3.33Å; L294-K298 PolarHBondContact O-N 3.36Å; Q295-K298 PolarHBondContact O-N 3.21Å; K298-K302 WeakPolarHBondContact O-CB 3.3Å; K298-K302 WeakPolarHBondContact O-CG 3.39Å; K298-K302 PolarHBondContact O-N 3.02Å
299	E	49.7	Very low	45.7	Very low	104 Å²	104	123.2 Å²	123.2	49%	0.486	60%	0.598	S	S	.	*	H	α-helix	trans	-72.1	-38.9	175	-73.1	179.7	-175.6	0	0	112.5	Q295 E296 V297 K302 K303	Q295-E299 WeakPolarHBondContact O-CG 3.32Å; Q295-E299 PolarHBondContact O-N 2.83Å; E296-E299 PolarHBondContact O-N 2.81Å; V297-E299 PolarHBondContact O-N 3.31Å; E299-K302 PolarHBondContact O-N 3.37Å; E299-K303 WeakPolarHBondContact O-CB 3.47Å; E299-K303 WeakPolarHBondContact O-CG 3.28Å; E299-K303 PolarHBondContact O-N 3.05Å
300	H	46.4	Very low	44.6	Very low	111 Å²	111	122.6 Å²	122.6	51%	0.514	59%	0.592	S	S	.	*	H	α-helix	trans	-67	-42.1	176.5	-159.5	76.8	0	0	0	112.2	E296 V297 K303 A304	E296-H300 PolarHBondContact O-N 2.88Å; V297-H300 PolarHBondContact O-N 2.79Å; H300-K303 CarbonylContact O-C 3.6Å; H300-K303 PolarHBondContact O-N 3.28Å; H300-K303 VanDerWaalsContact O-N 3.15Å; H300-A304 PolarHBondContact O-N 3.22Å
301	I	48.8	Very low	43.4	Very low	99 Å²	99	121.9 Å²	121.9	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-65.3	-39.1	174.6	-66.3	169.6	0	0	0	110.7	V297 K303 A304	V297-I301 HydrophobicContact CG1-CD1 3.78Å; V297-I301 HydrophobicContact CG1-CG1 4.41Å; V297-I301 WeakPolarHBondContact O-CB 3.13Å; V297-I301 VanDerWaalsContact O-CG1 3.31Å; V297-I301 WeakPolarHBondContact O-CG1 3.46Å; V297-I301 PolarHBondContact O-N 3.5Å; I301-K303 VanDerWaalsContact C-N 3.31Å; I301-K303 PolarHBondContact O-N 3.31Å; I301-A304 PolarHBondContact O-N 3.25Å
302	K	48.8	Very low	42.7	Very low	176 Å²	176	121.7 Å²	121.7	77%	0.765	61%	0.606	S	S	*	*	H	α-helix	trans	-61.5	-37.8	171.3	-86.5	-180	174.6	-178.3	0	112.4	K298 E299	K298-K302 WeakPolarHBondContact O-CB 3.3Å; K298-K302 WeakPolarHBondContact O-CG 3.39Å; K298-K302 PolarHBondContact O-N 3.02Å; E299-K302 PolarHBondContact O-N 3.37Å
303	K	45.2	Very low	42.3	Very low	172 Å²	172	116.9 Å²	116.9	75%	0.748	59%	0.594	S	S	*	*	H	α-helix	trans	-74.8	-24.8	177.3	-77.3	179	179.4	177.1	0	113.3	E299 H300 I301 G305	E299-K303 WeakPolarHBondContact O-CB 3.47Å; E299-K303 WeakPolarHBondContact O-CG 3.28Å; E299-K303 PolarHBondContact O-N 3.05Å; H300-K303 CarbonylContact O-C 3.6Å; H300-K303 PolarHBondContact O-N 3.28Å; H300-K303 VanDerWaalsContact O-N 3.15Å; I301-K303 VanDerWaalsContact C-N 3.31Å; I301-K303 PolarHBondContact O-N 3.31Å; K303-G305 PolarHBondContact O-N 3.13Å
304	A	39.2	Very low	42.1	Very low	78 Å²	78	117.2 Å²	117.2	65%	0.645	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	4.1	177.5	0	0	0	0	0	114.5	H300 I301	H300-A304 PolarHBondContact O-N 3.22Å; I301-A304 PolarHBondContact O-N 3.25Å
305	G	38.3	Very low	42.3	Very low	57 Å²	57	116.8 Å²	116.8	59%	0.588	60%	0.6	S	S	*	*			trans	72.4	55.9	156.7	0	0	0	0	0	116.4	K303	K303-G305 PolarHBondContact O-N 3.13Å
306	Q	36.7	Very low	43	Very low	133 Å²	133	115.1 Å²	115.1	62%	0.621	59%	0.588	S	S	*	*			trans	-144	99.4	149.2	-74.4	-165.1	-0.9	0	0	110.8	R308	Q306-R308 VanDerWaalsContact C-N 3.26Å; Q306-R308 PolarHBondContact O-N 3.19Å; Q306-R308 VanDerWaalsContact O-N 3.14Å
307	K	37.4	Very low	43.9	Very low	221 Å²	221	110.5 Å²	110.5	96%	0.961	57%	0.573	S	S	*	*			trans	-74.2	88.2	150.4	-87.1	-175.9	176.2	178.8	0	106.9
308	R	33.4	Very low	45.3	Very low	164 Å²	164	109.9 Å²	109.9	62%	0.619	57%	0.568	S	S	*	*			trans	-102.6	119.9	156.9	-79.3	-178.1	170.3	-167.8	-7.7	107	Q306 G310	Q306-R308 VanDerWaalsContact C-N 3.26Å; Q306-R308 PolarHBondContact O-N 3.19Å; Q306-R308 VanDerWaalsContact O-N 3.14Å; R308-G310 PolarHBondContact O-N 2.76Å
309	E	30.8	Very low	46.7	Very low	207 Å²	207	104.3 Å²	104.3	97%	0.967	55%	0.545	S	S	*	.			trans	-66.3	83.8	158.7	-73.3	-175.6	164.1	0	0	107.4
310	G	33.4	Very low	48	Very low	48 Å²	48	105.5 Å²	105.5	50%	0.495	55%	0.554	S	S	.	*			trans	-128.6	168.2	169.8	0	0	0	0	0	108.8	R308 M312	R308-G310 PolarHBondContact O-N 2.76Å; G310-M312 PolarHBondContact O-N 3.5Å
311	P	27.5	Very low	49.8	Very low	124 Å²	124	103.4 Å²	103.4	81%	0.805	55%	0.546	S	S	*	.	S	Bend	trans	-57.1	135.5	-169	23.3	-30.9	0	0	0	111	I313	P311-I313 PolarHBondContact O-N 3.41Å
312	M	31.2	Very low	51.7	Low	175 Å²	175	98.9 Å²	98.9	86%	0.862	52%	0.523	S	S	*	.	S	Bend	trans	-21.9	120.6	174.6	-138.4	179.9	-176.4	0	0	113.2	G310	G310-M312 PolarHBondContact O-N 3.5Å
313	I	40.7	Very low	53.6	Low	108 Å²	108	90.7 Å²	90.7	55%	0.554	49%	0.487	S	S	*	.	S	Bend	trans	39.9	112.4	161.5	-59	165.1	0	0	0	115.2	P311 S315	P311-I313 PolarHBondContact O-N 3.41Å; I313-S315 PolarHBondContact O-N 3.24Å
314	G	46.5	Very low	55.6	Low	22 Å²	22	83.7 Å²	83.7	23%	0.227	46%	0.458	C	S	.	.	S	Bend	trans	-42.6	124.6	169.3	0	0	0	0	0	111.5	W316	G314-W316 PolarHBondContact O-N 3.35Å
315	S	51.1	Low	58.1	Low	57 Å²	57	81.4 Å²	81.4	40%	0.399	44%	0.435	S	S	.	.			trans	-39.8	118	-170.3	-172	0	0	0	0	113	I313 A317	I313-S315 PolarHBondContact O-N 3.24Å; S315-A317 PolarHBondContact O-N 3.34Å; S315-A317 WeakPolarHBondContact OG-CB 3.43Å; S315-A317 PolarHBondContact OG-N 3.03Å
316	W	66.1	Low	60.5	Low	88 Å²	88	81.2 Å²	81.2	33%	0.333	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	5.2	168.1	-70.6	99.4	0	0	0	113	L294 G314 W318 V319	L294-W316 HydrophobicContact CD1-CH2 4.28Å; L294-W316 HydrophobicContact CD1-CZ2 4.31Å; G314-W316 PolarHBondContact O-N 3.35Å; W316-W318 HydrophobicContact CE3-CZ2 4.11Å; W316-W318 HydrophobicContact CZ3-CZ2 4.05Å; W316-W318 PolarHBondContact O-N 2.97Å; W316-V319 HydrophobicContact CE3-CG2 3.6Å; W316-V319 HydrophobicContact CZ3-CG2 4.14Å; W316-V319 VanDerWaalsContact O-CB 3.29Å; W316-V319 WeakPolarHBondContact O-CB 3.36Å; W316-V319 PolarHBondContact O-N 3.38Å
317	A	69.6	Low	63.1	Low	32 Å²	32	75.9 Å²	75.9	26%	0.264	40%	0.396	S	S	.	.	H	α-helix	trans	-50.7	-31.6	177.8	0	0	0	0	0	113.7	S315 V319 D320 M321	S315-A317 PolarHBondContact O-N 3.34Å; S315-A317 WeakPolarHBondContact OG-CB 3.43Å; S315-A317 PolarHBondContact OG-N 3.03Å; A317-V319 PolarHBondContact O-N 3.34Å; A317-D320 PolarHBondContact O-N 2.91Å; A317-M321 HydrophobicContact CB-CE 4.17Å; A317-M321 WeakPolarHBondContact O-CE 3.39Å; A317-M321 WeakPolarHBondContact O-CG 3.33Å; A317-M321 PolarHBondContact O-N 3.29Å
318	W	79.3	Confident	65.7	Low	5 Å²	5	66.2 Å²	66.2	2%	0.019	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-22.9	177.5	65.5	-97.5	0	0	0	113.4	L275 Q279 L282 W316 M321 S322 A1047 V1048	L275-W318 HydrophobicContact CD2-CE3 4.12Å; L275-W318 HydrophobicContact CD2-CZ3 4.05Å; Q279-W318 HydrophobicContact CB-CE3 4.49Å; Q279-W318 HydrophobicContact CB-CH2 4.06Å; Q279-W318 HydrophobicContact CB-CZ3 3.78Å; Q279-W318 HydrophobicContact CG-CE3 4.4Å; Q279-W318 HydrophobicContact CG-CH2 4.16Å; Q279-W318 HydrophobicContact CG-CZ3 4.02Å; L282-W318 HydrophobicContact CB-CH2 3.77Å; L282-W318 HydrophobicContact CB-CZ2 4.34Å; L282-W318 HydrophobicContact CD1-CH2 3.97Å; L282-W318 HydrophobicContact CD1-CZ2 3.86Å; W316-W318 HydrophobicContact CE3-CZ2 4.11Å; W316-W318 HydrophobicContact CZ3-CZ2 4.05Å; W316-W318 PolarHBondContact O-N 2.97Å; W318-M321 HydrophobicContact CB-CE 4.3Å; W318-S322 WeakPolarHBondContact O-CB 3.37Å; W318-A1047 HydrophobicContact CB-CB 4.09Å; W318-V1048 HydrophobicContact CB-CG1 4.13Å; W318-V1048 HydrophobicContact CG-CG1 4.04Å
319	V	80.1	Confident	68.4	Low	10 Å²	10	59.4 Å²	59.4	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-68.8	-37.1	174.2	169.1	0	0	0	0	111.3	W283 W316 A317 M321	W283-V319 HydrophobicContact CG-CG1 4.48Å; W283-V319 PolarHBondContact NE1-O 3.36Å; W316-V319 HydrophobicContact CE3-CG2 3.6Å; W316-V319 HydrophobicContact CZ3-CG2 4.14Å; W316-V319 VanDerWaalsContact O-CB 3.29Å; W316-V319 WeakPolarHBondContact O-CB 3.36Å; W316-V319 PolarHBondContact O-N 3.38Å; A317-V319 PolarHBondContact O-N 3.34Å; V319-M321 VanDerWaalsContact C-N 3.33Å
320	D	78.1	Confident	71.3	Confident	128 Å²	128	49.5 Å²	49.5	68%	0.684	29%	0.287	S	S	*	.	H	α-helix	trans	-81.3	-16.9	-179.7	-56.6	-36.4	0	0	0	112.2	A317 S322	A317-D320 PolarHBondContact O-N 2.91Å; D320-S322 VanDerWaalsContact C-N 3.35Å
321	M	83.1	Confident	74.2	Confident	68 Å²	68	47.9 Å²	47.9	34%	0.335	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	3.5	178.1	-68.4	-173	-70.3	0	0	113.8	S273 A317 W318 V319 A1047	S273-M321 PolarHBondContact OG-O 3.38Å; A317-M321 HydrophobicContact CB-CE 4.17Å; A317-M321 WeakPolarHBondContact O-CE 3.39Å; A317-M321 WeakPolarHBondContact O-CG 3.33Å; A317-M321 PolarHBondContact O-N 3.29Å; W318-M321 HydrophobicContact CB-CE 4.3Å; V319-M321 VanDerWaalsContact C-N 3.33Å; M321-A1047 HydrophobicContact CE-CB 3.21Å
322	S	88.6	Confident	77.2	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.028	25%	0.252	C	S	.	.			trans	-153.7	163.6	-168	-174.1	0	0	0	0	112.6	S273 L275 W283 W318 D320	S273-S322 WeakPolarHBondContact O-CB 3.3Å; S273-S322 PolarHBondContact O-OG 3.48Å; L275-S322 WeakPolarHBondContact CD2-OG 3.21Å; L275-S322 WeakPolarHBondContact CG-OG 3.47Å; W283-S322 PolarHBondContact NE1-O 3Å; W318-S322 WeakPolarHBondContact O-CB 3.37Å; D320-S322 VanDerWaalsContact C-N 3.35Å
323	S	89.6	Confident	80.1	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.021	22%	0.223	C	C	.	.			trans	-148	173.5	-176.5	65.4	0	0	0	0	111.6	H269	H269-S323 PolarHBondContact CE1-OG 3.25Å; H269-S323 PolarHBondContact NE2-O 3.23Å; H269-S323 PolarHBondContact NE2-OG 2.69Å
324	I	87.8	Confident	82.6	Confident	25 Å²	25	35.1 Å²	35.1	13%	0.128	20%	0.202	C	C	.	.			trans	-76.3	158.8	165.7	-62.5	171.9	0	0	0	108.9	W283 M284 N326 V330	W283-I324 HydrophobicContact CD2-CG1 4.31Å; W283-I324 HydrophobicContact CE3-CD1 3.49Å; W283-I324 VanDerWaalsContact CE3-CD1 3.49Å; W283-I324 HydrophobicContact CE3-CG1 3.61Å; W283-I324 HydrophobicContact CH2-CD1 4.1Å; W283-I324 HydrophobicContact CH2-CG1 4.06Å; W283-I324 HydrophobicContact CZ3-CB 4.41Å; W283-I324 HydrophobicContact CZ3-CD1 3.19Å; W283-I324 HydrophobicContact CZ3-CG1 3.49Å; W283-I324 VanDerWaalsContact CZ3-CG1 3.49Å; M284-I324 HydrophobicContact CE-CD1 3.5Å; M284-I324 VanDerWaalsContact CE-CD1 3.5Å; M284-I324 HydrophobicContact CG-CD1 3.72Å; M284-I324 HydrophobicContact SD-CD1 4.48Å; I324-N326 PolarHBondContact O-N 3.11Å; I324-N326 VanDerWaalsContact O-N 3.09Å; I324-V330 WeakPolarHBondContact O-CG2 3.28Å
325	N	90.1	Very high	84.8	Confident	30 Å²	30	37 Å²	37	16%	0.16	21%	0.209	C	C	.	.	S	Bend	trans	-64.7	-1.9	-176.1	-54.6	33.3	0	0	0	116.6	H240 M266 M270 R280	H240-N325 PolarHBondContact NE2-O 2.84Å; M266-N325 HydrophobicContact CG-CB 4.06Å; M266-N325 HydrophobicContact SD-CB 4.05Å; M270-N325 HydrophobicContact CE-CB 4.29Å; M270-N325 WeakPolarHBondContact CE-OD1 3.25Å; M270-N325 PolarHBondContact SD-ND2 2.75Å; M270-N325 PolarHBondContact SD-OD1 2.84Å; M270-N325 VanDerWaalsContact SD-OD1 3.38Å; R280-N325 PolarHBondContact NH2-OD1 3.45Å
326	N	90.6	Very high	86.4	Confident	53 Å²	53	35.6 Å²	35.6	28%	0.283	20%	0.203	S	C	.	.	S	Bend	trans	-83.9	149.4	-177.3	67.6	68	0	0	0	111.6	I324 A328 D329 V330	I324-N326 PolarHBondContact O-N 3.11Å; I324-N326 VanDerWaalsContact O-N 3.09Å; N326-A328 VanDerWaalsContact C-N 3.3Å; N326-A328 PolarHBondContact O-N 3.07Å; N326-A328 PolarHBondContact OD1-N 3.46Å; N326-D329 PolarHBondContact ND2-OD2 3.07Å; N326-D329 PolarHBondContact O-N 2.9Å; N326-D329 VanDerWaalsContact O-N 3.12Å; N326-D329 VanDerWaalsContact OD1-CB 3.31Å; N326-D329 WeakPolarHBondContact OD1-CB 3.28Å; N326-D329 VanDerWaalsContact OD1-CG 3.28Å; N326-D329 PolarHBondContact OD1-N 3.23Å; N326-D329 PolarHBondContact OD1-OD2 3.34Å; N326-V330 WeakPolarHBondContact O-CG2 3.41Å; N326-V330 PolarHBondContact O-N 3.32Å
327	L	91.2	Very high	87	Confident	21 Å²	21	34.4 Å²	34.4	11%	0.11	22%	0.219	C	C	.	.	H	α-helix	trans	-54.3	-45.4	-173.4	-178.2	58.7	0	0	0	112.3	H240 D329 V330 H331 L340 D370 A373 V377	H240-L327 HydrophobicContact CB-CD1 4.13Å; H240-L327 VanDerWaalsContact NE2-CA 3.35Å; H240-L327 WeakPolarHBondContact NE2-CA 3.28Å; H240-L327 PolarHBondContact NE2-N 3Å; L327-D329 PolarHBondContact O-N 3.42Å; L327-V330 PolarHBondContact O-N 3.26Å; L327-H331 WeakPolarHBondContact O-CB 3.4Å; L327-H331 PolarHBondContact O-N 3.28Å; L327-L340 HydrophobicContact CD2-CD1 4.18Å; L327-L340 HydrophobicContact CG-CD1 3.93Å; L327-D370 HydrophobicContact CD2-CB 4.17Å; L327-A373 HydrophobicContact CD2-CB 4.37Å; L327-V377 HydrophobicContact CD1-CG2 4.49Å
328	A	90.4	Very high	87.4	Confident	18 Å²	18	38.1 Å²	38.1	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-44	-179.8	0	0	0	0	0	113.3	N326 A332 L340	N326-A328 VanDerWaalsContact C-N 3.3Å; N326-A328 PolarHBondContact O-N 3.07Å; N326-A328 PolarHBondContact OD1-N 3.46Å; A328-A332 VanDerWaalsContact O-CB 3.3Å; A328-A332 WeakPolarHBondContact O-CB 3.43Å; A328-A332 PolarHBondContact O-N 2.88Å; A328-A332 VanDerWaalsContact O-N 3.07Å; A328-L340 HydrophobicContact CB-CB 4.16Å; A328-L340 HydrophobicContact CB-CD1 4.35Å
329	D	90.2	Very high	87.4	Confident	21 Å²	21	43.6 Å²	43.6	11%	0.112	28%	0.277	C	S	.	.	H	α-helix	trans	-73	-33.4	178.6	-73.5	-36.4	0	0	0	111.8	K287 N326 L327 L333	K287-D329 IonicContact NZ-OD1 3.26Å; K287-D329 PolarHBondContact NZ-OD1 3.3Å; N326-D329 PolarHBondContact ND2-OD2 3.07Å; N326-D329 PolarHBondContact O-N 2.9Å; N326-D329 VanDerWaalsContact O-N 3.12Å; N326-D329 VanDerWaalsContact OD1-CB 3.31Å; N326-D329 WeakPolarHBondContact OD1-CB 3.28Å; N326-D329 VanDerWaalsContact OD1-CG 3.28Å; N326-D329 PolarHBondContact OD1-N 3.23Å; N326-D329 PolarHBondContact OD1-OD2 3.34Å; L327-D329 PolarHBondContact O-N 3.42Å; D329-L333 PolarHBondContact O-N 2.69Å
330	V	92.4	Very high	87.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-71	-45.3	176.2	172.9	0	0	0	0	111.1	H269 I324 N326 L327 A332 L333 Y334 V377	H269-V330 HydrophobicContact CB-CG1 4.3Å; H269-V330 HydrophobicContact CB-CG2 4.37Å; I324-V330 WeakPolarHBondContact O-CG2 3.28Å; N326-V330 WeakPolarHBondContact O-CG2 3.41Å; N326-V330 PolarHBondContact O-N 3.32Å; L327-V330 PolarHBondContact O-N 3.26Å; V330-A332 VanDerWaalsContact C-N 3.35Å; V330-A332 PolarHBondContact O-N 2.85Å; V330-L333 WeakPolarHBondContact O-CB 3.09Å; V330-L333 PolarHBondContact O-N 3.19Å; V330-L333 VanDerWaalsContact O-N 3.13Å; V330-Y334 HydrophobicContact CG1-CD2 3.75Å; V330-Y334 HydrophobicContact CG1-CE2 3.84Å; V330-Y334 VanDerWaalsContact O-CD2 3.28Å; V330-Y334 WeakPolarHBondContact O-CD2 3.3Å; V330-Y334 PolarHBondContact O-N 3.38Å; V330-Y334 VanDerWaalsContact O-N 3.11Å; V330-V377 HydrophobicContact CG1-CG1 3.65Å; V330-V377 HydrophobicContact CG1-CG2 4.34Å
331	H	94.1	Very high	87.4	Confident	14 Å²	14	45.5 Å²	45.5	7%	0.065	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-45.9	175.1	-179.2	-85.2	0	0	0	111	L327 L333 Y334 V335 G336 L340 Q376 V377	L327-H331 WeakPolarHBondContact O-CB 3.4Å; L327-H331 PolarHBondContact O-N 3.28Å; H331-L333 PolarHBondContact O-N 2.82Å; H331-Y334 PolarHBondContact O-N 3.25Å; H331-V335 WeakPolarHBondContact O-CB 3.31Å; H331-V335 PolarHBondContact O-N 2.96Å; H331-G336 PolarHBondContact CE1-O 3Å; H331-G336 PolarHBondContact O-N 3.26Å; H331-L340 HydrophobicContact CB-CD1 4.42Å; H331-Q376 PolarHBondContact NE2-OE1 3.33Å; H331-V377 HydrophobicContact CB-CG2 3.88Å
332	A	91.4	Very high	86.9	Confident	61 Å²	61	47.6 Å²	47.6	50%	0.504	29%	0.289	S	S	.	.	H	α-helix	trans	-60.3	-31.2	175	0	0	0	0	0	113.7	A328 V330	A328-A332 VanDerWaalsContact O-CB 3.3Å; A328-A332 WeakPolarHBondContact O-CB 3.43Å; A328-A332 PolarHBondContact O-N 2.88Å; A328-A332 VanDerWaalsContact O-N 3.07Å; V330-A332 VanDerWaalsContact C-N 3.35Å; V330-A332 PolarHBondContact O-N 2.85Å
333	L	91.6	Very high	86.3	Confident	47 Å²	47	53.9 Å²	53.9	25%	0.246	32%	0.318	C	S	.	.	H	α-helix	trans	-76	-44.4	179.5	177.9	67.7	0	0	0	113	D329 V330 H331	D329-L333 PolarHBondContact O-N 2.69Å; V330-L333 WeakPolarHBondContact O-CB 3.09Å; V330-L333 PolarHBondContact O-N 3.19Å; V330-L333 VanDerWaalsContact O-N 3.13Å; H331-L333 PolarHBondContact O-N 2.82Å
334	Y	92.9	Very high	85.9	Confident	31 Å²	31	54.1 Å²	54.1	12%	0.122	32%	0.32	C	S	.	.	H	α-helix	trans	-93.9	-41.8	-172.3	-69.2	-76	0	0	0	113.4	H269 I272 V330 H331 Q381 L384	H269-Y334 HydrophobicContact CB-CE2 4.4Å; H269-Y334 AromaticContact ND1-CE2 3.47Å; H269-Y334 WeakPolarHBondContact ND1-CE2 3.46Å; H269-Y334 AromaticContact ND1-CZ 3.83Å; H269-Y334 PolarHBondContact ND1-OH 2.71Å; I272-Y334 HydrophobicContact CG2-CE1 4.41Å; I272-Y334 WeakPolarHBondContact CG2-OH 3.4Å; V330-Y334 HydrophobicContact CG1-CD2 3.75Å; V330-Y334 HydrophobicContact CG1-CE2 3.84Å; V330-Y334 VanDerWaalsContact O-CD2 3.28Å; V330-Y334 WeakPolarHBondContact O-CD2 3.3Å; V330-Y334 PolarHBondContact O-N 3.38Å; V330-Y334 VanDerWaalsContact O-N 3.11Å; H331-Y334 PolarHBondContact O-N 3.25Å; Y334-Q381 HydrophobicContact CD1-CG 4.41Å; Y334-Q381 HydrophobicContact CD2-CG 4.18Å; Y334-Q381 HydrophobicContact CE1-CG 4.21Å; Y334-Q381 HydrophobicContact CE2-CG 3.98Å; Y334-Q381 HydrophobicContact CG-CG 4.4Å; Y334-L384 HydrophobicContact CD1-CD1 4.21Å; Y334-L384 HydrophobicContact CE1-CD1 3.91Å
335	V	91.9	Very high	85.7	Confident	61 Å²	61	59.5 Å²	59.5	37%	0.37	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-42	-174.4	-173.6	0	0	0	0	110.4	H331 Q376 V377	H331-V335 WeakPolarHBondContact O-CB 3.31Å; H331-V335 PolarHBondContact O-N 2.96Å; V335-Q376 HydrophobicContact CG1-CB 4.39Å; V335-Q376 HydrophobicContact CG2-CB 3.87Å; V335-V377 HydrophobicContact CG2-CG2 4.17Å
336	G	84.3	Confident	85.5	Confident	27 Å²	27	61.7 Å²	61.7	28%	0.278	35%	0.35	S	S	.	.			trans	74	-178	-169.7	0	0	0	0	0	112.4	H331	H331-G336 PolarHBondContact CE1-O 3Å; H331-G336 PolarHBondContact O-N 3.26Å
337	G	80.4	Confident	85.4	Confident	64 Å²	64	60.8 Å²	60.8	66%	0.66	35%	0.345	S	S	*	.			trans	114.8	-167.2	179.4	0	0	0	0	0	114.5
338	P	77.7	Confident	85.3	Confident	109 Å²	109	59.8 Å²	59.8	71%	0.708	34%	0.34	S	S	*	.	S	Bend	trans	-65.6	145.4	179	28.4	-33.5	0	0	0	110.8	L340	P338-L340 PolarHBondContact O-N 3.44Å
339	P	79.3	Confident	85.1	Confident	121 Å²	121	61.9 Å²	61.9	79%	0.786	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-64.6	136	179.7	27.2	-33.6	0	0	0	110.8	Q341	P339-Q341 PolarHBondContact O-N 3.39Å
340	L	83.5	Confident	85.1	Confident	37 Å²	37	67.6 Å²	67.6	19%	0.194	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-59.2	130.5	170.1	-62.1	177.9	0	0	0	109.7	L327 A328 H331 P338 A373	L327-L340 HydrophobicContact CD2-CD1 4.18Å; L327-L340 HydrophobicContact CG-CD1 3.93Å; A328-L340 HydrophobicContact CB-CB 4.16Å; A328-L340 HydrophobicContact CB-CD1 4.35Å; H331-L340 HydrophobicContact CB-CD1 4.42Å; P338-L340 PolarHBondContact O-N 3.44Å; L340-A373 HydrophobicContact CD1-CB 3.9Å; L340-A373 HydrophobicContact CD2-CB 4.09Å
341	Q	74.3	Confident	84.8	Confident	140 Å²	140	68.1 Å²	68.1	65%	0.654	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-70.3	131.8	179.3	-64.4	-179.3	8.1	0	0	109.3	P339 Y366	P339-Q341 PolarHBondContact O-N 3.39Å; Q341-Y366 WeakPolarHBondContact O-CE2 3.47Å
342	K	73.4	Confident	84.6	Confident	113 Å²	113	70.3 Å²	70.3	49%	0.491	39%	0.394	S	S	.	.			trans	-105.6	-10.4	-175.6	-68.1	-175.1	179.1	-179.2	0	112.9
343	E	75.4	Confident	84.3	Confident	136 Å²	136	68.4 Å²	68.4	64%	0.636	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-36	-168.1	-62.6	71.4	-157	0	0	111.6	R345 D346	E343-R345 VanDerWaalsContact C-N 3.3Å; E343-R345 PolarHBondContact O-N 2.91Å; E343-D346 WeakPolarHBondContact O-CB 3.2Å; E343-D346 PolarHBondContact O-N 3.25Å
344	A	79.9	Confident	84.2	Confident	8 Å²	8	68.3 Å²	68.3	7%	0.066	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-36.3	178.1	0	0	0	0	0	112.4	D346 I347 L363 Y366	A344-D346 PolarHBondContact O-N 3.13Å; A344-I347 WeakPolarHBondContact O-CB 3.45Å; A344-I347 PolarHBondContact O-N 2.65Å; A344-I347 VanDerWaalsContact O-N 3.15Å; A344-L363 HydrophobicContact CB-CD2 4.19Å; A344-L363 WeakPolarHBondContact O-CD2 3.37Å; A344-Y366 HydrophobicContact CB-CD1 4.49Å; A344-Y366 HydrophobicContact CB-CD2 3.82Å; A344-Y366 HydrophobicContact CB-CG 3.82Å
345	R	83.7	Confident	84.1	Confident	138 Å²	138	69.7 Å²	69.7	52%	0.521	39%	0.391	S	S	.	.	H	α-helix	trans	-59.1	-32.7	176.9	-172.3	-178.1	174.5	-170.6	1.3	113.5	E343 I347 F348 V349 Y366	E343-R345 VanDerWaalsContact C-N 3.3Å; E343-R345 PolarHBondContact O-N 2.91Å; R345-I347 PolarHBondContact O-N 3.05Å; R345-I347 VanDerWaalsContact O-N 3.11Å; R345-F348 PolarHBondContact O-N 3.29Å; R345-V349 PolarHBondContact O-N 2.84Å; R345-Y366 HydrophobicContact CB-CE1 4.26Å
346	D	87	Confident	84	Confident	76 Å²	76	66.8 Å²	66.8	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-61.8	-22	-179	-94.2	12.6	0	0	0	112.1	E343 A344 V349 K350	E343-D346 WeakPolarHBondContact O-CB 3.2Å; E343-D346 PolarHBondContact O-N 3.25Å; A344-D346 PolarHBondContact O-N 3.13Å; D346-V349 PolarHBondContact O-N 3.22Å; D346-K350 WeakPolarHBondContact O-CB 3.4Å; D346-K350 PolarHBondContact O-N 2.81Å; D346-K350 IonicContact OD1-NZ 3.85Å; D346-K350 IonicContact OD2-NZ 3.45Å; D346-K350 PolarHBondContact OD2-NZ 3.5Å
347	I	88.6	Confident	84.3	Confident	34 Å²	34	69.4 Å²	69.4	17%	0.174	38%	0.375	C	S	.	.	H	α-helix	trans	-67.6	-40.4	175.1	-60.9	169.4	0	0	0	110.9	A344 R345 V349 G351 D355 V356 L363	A344-I347 WeakPolarHBondContact O-CB 3.45Å; A344-I347 PolarHBondContact O-N 2.65Å; A344-I347 VanDerWaalsContact O-N 3.15Å; R345-I347 PolarHBondContact O-N 3.05Å; R345-I347 VanDerWaalsContact O-N 3.11Å; I347-V349 VanDerWaalsContact C-N 3.32Å; I347-V349 PolarHBondContact O-N 2.94Å; I347-G351 WeakPolarHBondContact O-CA 3.42Å; I347-G351 PolarHBondContact O-N 3.09Å; I347-D355 HydrophobicContact CG2-CB 4Å; I347-V356 HydrophobicContact CG2-CG2 4.2Å; I347-L363 HydrophobicContact CB-CD2 4.27Å; I347-L363 HydrophobicContact CD1-CD2 4.07Å; I347-L363 HydrophobicContact CG2-CD1 4.11Å
348	F	88.5	Confident	84.9	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-68.8	-32.4	175.1	-68.5	-67.3	0	0	0	112.5	E171 C173 T174 L182 R345 V356 L363	E171-F348 HydrophobicContact CB-CD1 4.12Å; E171-F348 HydrophobicContact CB-CD2 4.07Å; E171-F348 HydrophobicContact CB-CE1 3.93Å; E171-F348 HydrophobicContact CB-CE2 3.87Å; E171-F348 HydrophobicContact CB-CG 4.2Å; E171-F348 HydrophobicContact CB-CZ 3.79Å; E171-F348 HydrophobicContact CG-CD2 4.01Å; E171-F348 HydrophobicContact CG-CE2 3.81Å; E171-F348 HydrophobicContact CG-CZ 4.2Å; C173-F348 CarbonylContact C-O 2.94Å; C173-F348 WeakPolarHBondContact CA-O 3.45Å; T174-F348 PolarHBondContact N-O 2.89Å; L182-F348 HydrophobicContact CD1-CE1 4.17Å; L182-F348 HydrophobicContact CD1-CZ 3.93Å; R345-F348 PolarHBondContact O-N 3.29Å; F348-V356 HydrophobicContact CD1-CG2 4.09Å; F348-V356 HydrophobicContact CE1-CG1 3.89Å; F348-V356 HydrophobicContact CE1-CG2 4.16Å; F348-L363 HydrophobicContact CD2-CD2 4.37Å; F348-L363 HydrophobicContact CE1-CD1 4.3Å; F348-L363 HydrophobicContact CE2-CB 4.19Å; F348-L363 HydrophobicContact CE2-CD1 4.35Å; F348-L363 HydrophobicContact CE2-CD2 3.79Å; F348-L363 HydrophobicContact CE2-CG 4.34Å; F348-L363 HydrophobicContact CZ-CB 3.92Å; F348-L363 HydrophobicContact CZ-CD1 3.95Å; F348-L363 HydrophobicContact CZ-CD2 4.2Å; F348-L363 HydrophobicContact CZ-CG 4.25Å
349	V	87.1	Confident	85.7	Confident	61 Å²	61	70.1 Å²	70.1	37%	0.37	36%	0.357	S	S	.	.	H	α-helix	trans	-83.1	-41.9	-176.3	-178.3	0	0	0	0	112.4	T174 R345 D346 I347	T174-V349 WeakPolarHBondContact OG1-CA 3.5Å; T174-V349 PolarHBondContact OG1-O 2.85Å; R345-V349 PolarHBondContact O-N 2.84Å; D346-V349 PolarHBondContact O-N 3.22Å; I347-V349 VanDerWaalsContact C-N 3.32Å; I347-V349 PolarHBondContact O-N 2.94Å
350	K	88.4	Confident	86.4	Confident	142 Å²	142	64.9 Å²	64.9	62%	0.617	32%	0.322	S	S	*	.	H	α-helix	trans	-118.1	-19.3	-171.3	-59	173	-169.7	150.8	0	113.8	D346	D346-K350 WeakPolarHBondContact O-CB 3.4Å; D346-K350 PolarHBondContact O-N 2.81Å; D346-K350 IonicContact OD1-NZ 3.85Å; D346-K350 IonicContact OD2-NZ 3.45Å; D346-K350 PolarHBondContact OD2-NZ 3.5Å
351	G	87.7	Confident	86.9	Confident	10 Å²	10	66.5 Å²	66.5	10%	0.103	33%	0.329	C	S	.	.	S	Bend	trans	-79.1	178	-178.8	0	0	0	0	0	112.9	T175 I347	T175-G351 WeakPolarHBondContact CB-O 3.36Å; T175-G351 VanDerWaalsContact CG2-O 3.32Å; T175-G351 WeakPolarHBondContact CG2-O 3.42Å; T175-G351 PolarHBondContact OG1-O 3.32Å; I347-G351 WeakPolarHBondContact O-CA 3.42Å; I347-G351 PolarHBondContact O-N 3.09Å
352	T	88.9	Confident	87.8	Confident	60 Å²	60	65.1 Å²	65.1	37%	0.368	32%	0.322	S	S	.	.			trans	-102.2	167.4	176.5	65.1	0	0	0	0	111.3	A354 D355 V356	T352-A354 PolarHBondContact O-N 3.38Å; T352-A354 PolarHBondContact OG1-N 3.09Å; T352-D355 PolarHBondContact N-OD2 2.93Å; T352-D355 WeakPolarHBondContact O-CB 3.4Å; T352-D355 PolarHBondContact O-N 3.48Å; T352-D355 VanDerWaalsContact OG1-CG 3.27Å; T352-D355 PolarHBondContact OG1-N 3.45Å; T352-D355 PolarHBondContact OG1-OD2 2.86Å; T352-V356 PolarHBondContact O-N 2.94Å
353	M	86.7	Confident	88.7	Confident	21 Å²	21	59.7 Å²	59.7	10%	0.103	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-30.6	174.1	-164.3	60.7	61.7	0	0	112.4	C173 E176 T181 L199 V356 R357	C173-M353 HydrophobicContact CB-CE 3.79Å; E176-M353 HydrophobicContact CB-CE 4.04Å; E176-M353 HydrophobicContact CG-CB 4.03Å; E176-M353 HydrophobicContact CG-CE 4.17Å; E176-M353 PolarHBondContact OE1-N 3.42Å; T181-M353 HydrophobicContact CG2-CE 4.23Å; T181-M353 HydrophobicContact CG2-SD 3.9Å; L199-M353 HydrophobicContact CD1-SD 3.79Å; M353-V356 PolarHBondContact O-N 3.29Å; M353-R357 WeakPolarHBondContact O-CG 3.43Å; M353-R357 PolarHBondContact O-N 3.44Å
354	A	88.4	Confident	89.6	Confident	45 Å²	45	53.2 Å²	53.2	37%	0.372	27%	0.268	S	S	.	.	H	α-helix	trans	-66.3	-37.9	176.5	0	0	0	0	0	112	T352 V356 R357 N358	T352-A354 PolarHBondContact O-N 3.38Å; T352-A354 PolarHBondContact OG1-N 3.09Å; A354-V356 VanDerWaalsContact C-N 3.33Å; A354-R357 PolarHBondContact O-N 3Å; A354-N358 PolarHBondContact O-N 3.37Å; A354-N358 PolarHBondContact O-ND2 3.31Å
355	D	90.8	Very high	90.2	Very high	61 Å²	61	56 Å²	56	33%	0.326	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-38.9	176.5	-56.5	-46.4	0	0	0	111.1	I347 T352 R357 N358 N359	I347-D355 HydrophobicContact CG2-CB 4Å; T352-D355 PolarHBondContact N-OD2 2.93Å; T352-D355 WeakPolarHBondContact O-CB 3.4Å; T352-D355 PolarHBondContact O-N 3.48Å; T352-D355 VanDerWaalsContact OG1-CG 3.27Å; T352-D355 PolarHBondContact OG1-N 3.45Å; T352-D355 PolarHBondContact OG1-OD2 2.86Å; D355-R357 VanDerWaalsContact C-N 3.34Å; D355-R357 PolarHBondContact O-N 3.32Å; D355-N358 PolarHBondContact O-N 3.3Å; D355-N359 PolarHBondContact O-N 2.9Å; D355-N359 VanDerWaalsContact O-N 3.09Å; D355-N359 PolarHBondContact O-ND2 3.25Å
356	V	90.3	Very high	90.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-41	174.2	-179	0	0	0	0	111.2	T181 L182 L199 I347 F348 T352 M353 A354 F360 L363	T181-V356 HydrophobicContact CG2-CG1 4.1Å; L182-V356 HydrophobicContact CD1-CG1 4.36Å; L199-V356 HydrophobicContact CD1-CB 4.24Å; L199-V356 HydrophobicContact CD1-CG1 3.7Å; I347-V356 HydrophobicContact CG2-CG2 4.2Å; F348-V356 HydrophobicContact CD1-CG2 4.09Å; F348-V356 HydrophobicContact CE1-CG1 3.89Å; F348-V356 HydrophobicContact CE1-CG2 4.16Å; T352-V356 PolarHBondContact O-N 2.94Å; M353-V356 PolarHBondContact O-N 3.29Å; A354-V356 VanDerWaalsContact C-N 3.33Å; V356-F360 WeakPolarHBondContact O-CA 3.15Å; V356-F360 PolarHBondContact O-N 3.42Å; V356-L363 HydrophobicContact CB-CD1 4.13Å; V356-L363 HydrophobicContact CG1-CD1 3.83Å; V356-L363 HydrophobicContact CG2-CD1 4.27Å
357	R	91.3	Very high	90.9	Very high	82 Å²	82	47 Å²	47	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-63.7	-44.5	175.7	-68.3	170.4	179.3	149.9	2.8	112.1	W142 R198 L199 E201 M353 A354 D355 N359	W142-R357 HydrophobicContact CH2-CB 4.03Å; W142-R357 HydrophobicContact CH2-CG 3.81Å; W142-R357 HydrophobicContact CZ2-CG 4.18Å; R198-R357 PolarHBondContact O-NH2 2.62Å; L199-R357 HydrophobicContact CD1-CG 3.74Å; L199-R357 PolarHBondContact O-NE 3.49Å; E201-R357 PolarHBondContact O-NH2 3.03Å; M353-R357 WeakPolarHBondContact O-CG 3.43Å; M353-R357 PolarHBondContact O-N 3.44Å; A354-R357 PolarHBondContact O-N 3Å; D355-R357 VanDerWaalsContact C-N 3.34Å; D355-R357 PolarHBondContact O-N 3.32Å; R357-N359 VanDerWaalsContact C-N 3.32Å; R357-N359 PolarHBondContact O-N 2.76Å
358	N	92.7	Very high	91.2	Very high	127 Å²	127	45.3 Å²	45.3	68%	0.679	23%	0.232	S	C	*	.	H	α-helix	trans	-67.3	-33	-177.4	-68.9	-25.4	0	0	0	112.7	A354 D355	A354-N358 PolarHBondContact O-N 3.37Å; A354-N358 PolarHBondContact O-ND2 3.31Å; D355-N358 PolarHBondContact O-N 3.3Å
359	N	93	Very high	91.4	Very high	61 Å²	61	48.8 Å²	48.8	33%	0.326	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	24.2	-177	-59.9	-35	0	0	0	113.1	D355 R357 Q361 E362 L363	D355-N359 PolarHBondContact O-N 2.9Å; D355-N359 VanDerWaalsContact O-N 3.09Å; D355-N359 PolarHBondContact O-ND2 3.25Å; R357-N359 VanDerWaalsContact C-N 3.32Å; R357-N359 PolarHBondContact O-N 2.76Å; N359-Q361 PolarHBondContact O-N 2.9Å; N359-E362 PolarHBondContact O-N 2.71Å; N359-L363 HydrophobicContact CB-CD1 4.31Å; N359-L363 HydrophobicContact CB-CG 4.29Å; N359-L363 WeakPolarHBondContact O-CG 3.49Å; N359-L363 PolarHBondContact O-N 3.12Å
360	F	93.9	Very high	91.7	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-52.6	-50.5	-170.7	171.6	-109.8	0	0	0	115.1	W140 W142 L182 L199 V356 E362 L363 M364	W140-F360 HydrophobicContact CB-CE1 4.06Å; W140-F360 HydrophobicContact CB-CZ 4.28Å; W142-F360 HydrophobicContact CB-CE1 4.4Å; W142-F360 HydrophobicContact CE3-CB 3.89Å; W142-F360 AromaticContact CE3-CD1 3.42Å; W142-F360 HydrophobicContact CE3-CD1 3.42Å; W142-F360 VanDerWaalsContact CE3-CD1 3.42Å; W142-F360 AromaticContact CE3-CD2 3.45Å; W142-F360 HydrophobicContact CE3-CD2 3.45Å; W142-F360 VanDerWaalsContact CE3-CD2 3.45Å; W142-F360 AromaticContact CE3-CE1 3.65Å; W142-F360 HydrophobicContact CE3-CE1 3.65Å; W142-F360 AromaticContact CE3-CE2 3.63Å; W142-F360 HydrophobicContact CE3-CE2 3.63Å; W142-F360 AromaticContact CE3-CG 3.28Å; W142-F360 HydrophobicContact CE3-CG 3.28Å; W142-F360 AromaticContact CE3-CZ 3.73Å; W142-F360 HydrophobicContact CE3-CZ 3.73Å; W142-F360 HydrophobicContact CH2-CB 4.44Å; W142-F360 HydrophobicContact CH2-CD2 4.46Å; W142-F360 HydrophobicContact CZ3-CB 3.43Å; W142-F360 VanDerWaalsContact CZ3-CB 3.43Å; W142-F360 AromaticContact CZ3-CD1 3.88Å; W142-F360 HydrophobicContact CZ3-CD1 3.88Å; W142-F360 AromaticContact CZ3-CD2 3.21Å; W142-F360 HydrophobicContact CZ3-CD2 3.21Å; W142-F360 HydrophobicContact CZ3-CE1 4.41Å; W142-F360 AromaticContact CZ3-CE2 3.79Å; W142-F360 HydrophobicContact CZ3-CE2 3.79Å; W142-F360 AromaticContact CZ3-CG 3.21Å; W142-F360 HydrophobicContact CZ3-CG 3.21Å; W142-F360 HydrophobicContact CZ3-CZ 4.35Å; L182-F360 HydrophobicContact CD1-CD2 4.31Å; L182-F360 HydrophobicContact CD1-CE2 4.46Å; L182-F360 HydrophobicContact CD2-CD2 4.34Å; L182-F360 HydrophobicContact CD2-CE2 3.82Å; L199-F360 HydrophobicContact CD2-CD2 4.27Å; L199-F360 HydrophobicContact CD2-CE2 4.34Å; V356-F360 WeakPolarHBondContact O-CA 3.15Å; V356-F360 PolarHBondContact O-N 3.42Å; F360-E362 VanDerWaalsContact C-N 3.32Å; F360-E362 PolarHBondContact O-N 3.26Å; F360-L363 PolarHBondContact O-N 2.99Å; F360-M364 HydrophobicContact CD1-CG 4.43Å; F360-M364 HydrophobicContact CD2-CG 3.71Å; F360-M364 HydrophobicContact CE1-CG 4.06Å; F360-M364 HydrophobicContact CE2-CG 3.3Å; F360-M364 HydrophobicContact CE2-SD 3.86Å; F360-M364 HydrophobicContact CG-CG 4.3Å; F360-M364 HydrophobicContact CZ-CG 3.51Å; F360-M364 HydrophobicContact CZ-SD 4.27Å; F360-M364 WeakPolarHBondContact O-CB 3.45Å; F360-M364 WeakPolarHBondContact O-CG 3.41Å; F360-M364 PolarHBondContact O-N 2.69Å
361	Q	94.4	Very high	92	Very high	72 Å²	72	40 Å²	40	34%	0.336	21%	0.208	S	C	.	.	H	α-helix	trans	-64.3	-39.6	-175.7	-68.2	-64.1	-27	0	0	111.3	W140 N359 Q365	W140-Q361 PolarHBondContact O-NE2 2.87Å; N359-Q361 PolarHBondContact O-N 2.9Å; Q361-Q365 VanDerWaalsContact O-CB 3.31Å; Q361-Q365 WeakPolarHBondContact O-CB 3.47Å; Q361-Q365 PolarHBondContact O-N 2.98Å
362	E	92.9	Very high	92.3	Very high	110 Å²	110	42 Å²	42	51%	0.514	22%	0.215	S	C	.	.	H	α-helix	trans	-64.9	-44.1	175.9	-175.3	-178.1	176.4	0	0	111.3	N359 F360 Q365 Y366	N359-E362 PolarHBondContact O-N 2.71Å; F360-E362 VanDerWaalsContact C-N 3.32Å; F360-E362 PolarHBondContact O-N 3.26Å; E362-Q365 PolarHBondContact O-N 3.31Å; E362-Y366 WeakPolarHBondContact O-CB 3.44Å; E362-Y366 PolarHBondContact O-N 2.93Å
363	L	93.3	Very high	92.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.5	-38.2	179.2	-67.8	177.3	0	0	0	112.8	A344 I347 F348 V356 N359 F360 Y366 C367	A344-L363 HydrophobicContact CB-CD2 4.19Å; A344-L363 WeakPolarHBondContact O-CD2 3.37Å; I347-L363 HydrophobicContact CB-CD2 4.27Å; I347-L363 HydrophobicContact CD1-CD2 4.07Å; I347-L363 HydrophobicContact CG2-CD1 4.11Å; F348-L363 HydrophobicContact CD2-CD2 4.37Å; F348-L363 HydrophobicContact CE1-CD1 4.3Å; F348-L363 HydrophobicContact CE2-CB 4.19Å; F348-L363 HydrophobicContact CE2-CD1 4.35Å; F348-L363 HydrophobicContact CE2-CD2 3.79Å; F348-L363 HydrophobicContact CE2-CG 4.34Å; F348-L363 HydrophobicContact CZ-CB 3.92Å; F348-L363 HydrophobicContact CZ-CD1 3.95Å; F348-L363 HydrophobicContact CZ-CD2 4.2Å; F348-L363 HydrophobicContact CZ-CG 4.25Å; V356-L363 HydrophobicContact CB-CD1 4.13Å; V356-L363 HydrophobicContact CG1-CD1 3.83Å; V356-L363 HydrophobicContact CG2-CD1 4.27Å; N359-L363 HydrophobicContact CB-CD1 4.31Å; N359-L363 HydrophobicContact CB-CG 4.29Å; N359-L363 WeakPolarHBondContact O-CG 3.49Å; N359-L363 PolarHBondContact O-N 3.12Å; F360-L363 PolarHBondContact O-N 2.99Å; L363-Y366 WeakPolarHBondContact O-CB 3.42Å; L363-Y366 PolarHBondContact O-N 3.02Å; L363-C367 PolarHBondContact O-N 3.39Å; L363-C367 PolarHBondContact O-SG 3.08Å
364	M	93.4	Very high	93	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65	-41.9	173.6	-78	-59	-57.1	0	0	111.7	W140 L182 V184 S193 F360 Y366 C367 A368	W140-M364 HydrophobicContact CB-CB 4.02Å; W140-M364 HydrophobicContact CB-CE 4.48Å; W140-M364 HydrophobicContact CB-CG 4.13Å; W140-M364 HydrophobicContact CD2-CB 4.09Å; W140-M364 HydrophobicContact CD2-CE 3.95Å; W140-M364 HydrophobicContact CE3-CE 3.73Å; W140-M364 HydrophobicContact CG-CB 3.62Å; W140-M364 HydrophobicContact CG-CE 4.29Å; W140-M364 HydrophobicContact CG-CG 4.23Å; W140-M364 HydrophobicContact CZ3-CE 4.27Å; L182-M364 HydrophobicContact CB-SD 4.2Å; L182-M364 HydrophobicContact CD1-CG 4.34Å; L182-M364 HydrophobicContact CD1-SD 3.78Å; L182-M364 HydrophobicContact CD2-SD 3.68Å; L182-M364 HydrophobicContact CG-SD 4.08Å; V184-M364 HydrophobicContact CG2-CE 3.53Å; V184-M364 HydrophobicContact CG2-SD 4.47Å; S193-M364 VanDerWaalsContact CB-CE 3.43Å; F360-M364 HydrophobicContact CD1-CG 4.43Å; F360-M364 HydrophobicContact CD2-CG 3.71Å; F360-M364 HydrophobicContact CE1-CG 4.06Å; F360-M364 HydrophobicContact CE2-CG 3.3Å; F360-M364 HydrophobicContact CE2-SD 3.86Å; F360-M364 HydrophobicContact CG-CG 4.3Å; F360-M364 HydrophobicContact CZ-CG 3.51Å; F360-M364 HydrophobicContact CZ-SD 4.27Å; F360-M364 WeakPolarHBondContact O-CB 3.45Å; F360-M364 WeakPolarHBondContact O-CG 3.41Å; F360-M364 PolarHBondContact O-N 2.69Å; M364-Y366 VanDerWaalsContact C-N 3.31Å; M364-Y366 PolarHBondContact O-N 3.38Å; M364-C367 PolarHBondContact O-N 2.89Å; M364-A368 WeakPolarHBondContact O-CB 3.31Å; M364-A368 PolarHBondContact O-N 3.02Å
365	Q	92.9	Very high	93.3	Very high	65 Å²	65	36.8 Å²	36.8	30%	0.304	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-42.2	174.3	-172	64.8	17.8	0	0	111.3	M136 Q361 E362 A368 L369	M136-Q365 PolarHBondContact SD-NE2 2.94Å; Q361-Q365 VanDerWaalsContact O-CB 3.31Å; Q361-Q365 WeakPolarHBondContact O-CB 3.47Å; Q361-Q365 PolarHBondContact O-N 2.98Å; E362-Q365 PolarHBondContact O-N 3.31Å; Q365-A368 PolarHBondContact O-N 3.3Å; Q365-L369 HydrophobicContact CG-CD1 4.29Å; Q365-L369 VanDerWaalsContact O-CG 3.28Å; Q365-L369 WeakPolarHBondContact O-CG 3.4Å; Q365-L369 PolarHBondContact O-N 2.8Å
366	Y	92.8	Very high	93.5	Very high	24 Å²	24	37.1 Å²	37.1	9%	0.094	18%	0.178	C	C	.	.	H	α-helix	trans	-57.4	-50.9	173.2	166.7	-95.1	0	0	0	111.8	Q341 A344 R345 E362 L363 M364 A368 L369 D370	Q341-Y366 WeakPolarHBondContact O-CE2 3.47Å; A344-Y366 HydrophobicContact CB-CD1 4.49Å; A344-Y366 HydrophobicContact CB-CD2 3.82Å; A344-Y366 HydrophobicContact CB-CG 3.82Å; R345-Y366 HydrophobicContact CB-CE1 4.26Å; E362-Y366 WeakPolarHBondContact O-CB 3.44Å; E362-Y366 PolarHBondContact O-N 2.93Å; L363-Y366 WeakPolarHBondContact O-CB 3.42Å; L363-Y366 PolarHBondContact O-N 3.02Å; M364-Y366 VanDerWaalsContact C-N 3.31Å; M364-Y366 PolarHBondContact O-N 3.38Å; Y366-A368 VanDerWaalsContact C-N 3.29Å; Y366-A368 PolarHBondContact O-N 3.09Å; Y366-L369 PolarHBondContact O-N 2.9Å; Y366-D370 PolarHBondContact O-N 3.15Å; Y366-D370 PolarHBondContact OH-OD2 3.3Å
367	C	93.2	Very high	93.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-40	178.4	-60.2	0	0	0	0	111.7	V184 L363 M364 D370 V371	V184-C367 HydrophobicContact CB-CB 4.29Å; V184-C367 HydrophobicContact CG2-CB 3.56Å; L363-C367 PolarHBondContact O-N 3.39Å; L363-C367 PolarHBondContact O-SG 3.08Å; M364-C367 PolarHBondContact O-N 2.89Å; C367-D370 PolarHBondContact O-N 2.93Å; C367-V371 WeakPolarHBondContact O-CG2 3.5Å; C367-V371 PolarHBondContact O-N 3.16Å
368	A	93.9	Very high	93.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-38.4	178.2	0	0	0	0	0	113	M136 W140 V184 W191 M364 Q365 Y366 V371 E372	M136-A368 HydrophobicContact CE-CB 4.05Å; M136-A368 HydrophobicContact SD-CB 4Å; W140-A368 HydrophobicContact CH2-CB 3.68Å; W140-A368 HydrophobicContact CZ2-CB 3.3Å; V184-A368 HydrophobicContact CG1-CB 4.19Å; W191-A368 HydrophobicContact CH2-CB 4.3Å; W191-A368 WeakPolarHBondContact CH2-O 3.48Å; W191-A368 HydrophobicContact CZ3-CB 3.89Å; M364-A368 WeakPolarHBondContact O-CB 3.31Å; M364-A368 PolarHBondContact O-N 3.02Å; Q365-A368 PolarHBondContact O-N 3.3Å; Y366-A368 VanDerWaalsContact C-N 3.29Å; Y366-A368 PolarHBondContact O-N 3.09Å; A368-V371 PolarHBondContact O-N 3.38Å; A368-E372 WeakPolarHBondContact O-CB 3.18Å; A368-E372 PolarHBondContact O-N 2.95Å
369	L	92.9	Very high	94.1	Very high	73 Å²	73	29 Å²	29	38%	0.382	14%	0.142	S	C	.	.	H	α-helix	trans	-65.7	-37.3	173.8	-71.9	168.7	0	0	0	111.9	M136 Q365 Y366 E372 A373	M136-L369 HydrophobicContact CE-CD2 4.12Å; Q365-L369 HydrophobicContact CG-CD1 4.29Å; Q365-L369 VanDerWaalsContact O-CG 3.28Å; Q365-L369 WeakPolarHBondContact O-CG 3.4Å; Q365-L369 PolarHBondContact O-N 2.8Å; Y366-L369 PolarHBondContact O-N 2.9Å; L369-E372 PolarHBondContact O-N 3.11Å; L369-A373 VanDerWaalsContact O-CB 3.28Å; L369-A373 WeakPolarHBondContact O-CB 3.48Å; L369-A373 PolarHBondContact O-N 3.24Å
370	D	93.3	Very high	94.1	Very high	18 Å²	18	30.8 Å²	30.8	10%	0.096	15%	0.149	C	C	.	.	H	α-helix	trans	-66.2	-39.8	174.7	-87.1	0.6	0	0	0	111.6	L327 Y366 C367 A373 T374	L327-D370 HydrophobicContact CD2-CB 4.17Å; Y366-D370 PolarHBondContact O-N 3.15Å; Y366-D370 PolarHBondContact OH-OD2 3.3Å; C367-D370 PolarHBondContact O-N 2.93Å; D370-A373 PolarHBondContact O-N 3.23Å; D370-T374 WeakPolarHBondContact O-CB 3.26Å; D370-T374 PolarHBondContact O-N 3.44Å; D370-T374 PolarHBondContact O-OG1 2.92Å
371	V	94.8	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.9	-43.8	172.8	168.9	0	0	0	0	111.6	V167 D169 V184 L186 W191 C367 A368 T374 Q375	V167-V371 HydrophobicContact CB-CG1 4Å; V167-V371 HydrophobicContact CG1-CG1 3.87Å; D169-V371 HydrophobicContact CB-CG2 3.53Å; V184-V371 HydrophobicContact CB-CG2 3.99Å; V184-V371 HydrophobicContact CG1-CB 4.36Å; V184-V371 HydrophobicContact CG1-CG2 4.07Å; L186-V371 HydrophobicContact CB-CG1 3.48Å; L186-V371 VanDerWaalsContact CB-CG1 3.48Å; L186-V371 HydrophobicContact CD2-CG1 4.44Å; W191-V371 HydrophobicContact CH2-CG1 4.35Å; W191-V371 HydrophobicContact CZ3-CB 4.27Å; W191-V371 HydrophobicContact CZ3-CG1 3.98Å; C367-V371 WeakPolarHBondContact O-CG2 3.5Å; C367-V371 PolarHBondContact O-N 3.16Å; A368-V371 PolarHBondContact O-N 3.38Å; V371-T374 PolarHBondContact O-N 3.14Å; V371-Q375 PolarHBondContact O-N 3.47Å
372	E	94.2	Very high	94.2	Very high	53 Å²	53	27.1 Å²	27.1	25%	0.248	13%	0.132	C	C	.	.	H	α-helix	trans	-61.9	-46.6	176	-176.2	176.9	-150	0	0	111.4	M136 W191 A368 L369 T374 Q375 Q376	M136-E372 HydrophobicContact CE-CB 4.33Å; M136-E372 WeakPolarHBondContact CE-OE2 2.92Å; W191-E372 HydrophobicContact CH2-CB 4.13Å; A368-E372 WeakPolarHBondContact O-CB 3.18Å; A368-E372 PolarHBondContact O-N 2.95Å; L369-E372 PolarHBondContact O-N 3.11Å; E372-T374 VanDerWaalsContact C-N 3.29Å; E372-T374 PolarHBondContact O-N 3.01Å; E372-Q375 WeakPolarHBondContact O-CB 3.45Å; E372-Q375 PolarHBondContact O-N 3.18Å; E372-Q376 WeakPolarHBondContact O-CG 3.42Å; E372-Q376 PolarHBondContact O-N 2.66Å
373	A	94.4	Very high	94.4	Very high	3 Å²	3	24.7 Å²	24.7	3%	0.025	13%	0.126	C	C	.	.	H	α-helix	trans	-60.4	-40.4	176	0	0	0	0	0	111.5	L327 L340 L369 D370 Q376 V377	L327-A373 HydrophobicContact CD2-CB 4.37Å; L340-A373 HydrophobicContact CD1-CB 3.9Å; L340-A373 HydrophobicContact CD2-CB 4.09Å; L369-A373 VanDerWaalsContact O-CB 3.28Å; L369-A373 WeakPolarHBondContact O-CB 3.48Å; L369-A373 PolarHBondContact O-N 3.24Å; D370-A373 PolarHBondContact O-N 3.23Å; A373-Q376 PolarHBondContact O-N 3.4Å; A373-V377 WeakPolarHBondContact O-CB 3.47Å; A373-V377 VanDerWaalsContact O-CG2 3.27Å; A373-V377 WeakPolarHBondContact O-CG2 3.41Å; A373-V377 PolarHBondContact O-N 3.1Å
374	T	95.2	Very high	94.5	Very high	3 Å²	3	27 Å²	27	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-63.3	-42.4	176	-61.4	0	0	0	0	111.6	V167 H240 T265 D370 V371 E372 V377 F378	V167-T374 HydrophobicContact CG1-CG2 3.69Å; H240-T374 HydrophobicContact CB-CG2 4.29Å; T265-T374 HydrophobicContact CG2-CG2 4.1Å; D370-T374 WeakPolarHBondContact O-CB 3.26Å; D370-T374 PolarHBondContact O-N 3.44Å; D370-T374 PolarHBondContact O-OG1 2.92Å; V371-T374 PolarHBondContact O-N 3.14Å; E372-T374 VanDerWaalsContact C-N 3.29Å; E372-T374 PolarHBondContact O-N 3.01Å; T374-V377 PolarHBondContact O-N 3.1Å; T374-F378 VanDerWaalsContact O-CB 3.26Å; T374-F378 WeakPolarHBondContact O-CB 3.49Å; T374-F378 PolarHBondContact O-N 3.37Å
375	Q	95.1	Very high	94.6	Very high	10 Å²	10	27 Å²	27	5%	0.047	14%	0.138	C	C	.	.	H	α-helix	trans	-62.2	-47.1	175.4	176.1	62.3	-0.4	0	0	111.7	L128 V167 L186 V371 E372 V377 F378 T379	L128-Q375 PolarHBondContact O-NE2 2.96Å; V167-Q375 HydrophobicContact CG2-CB 3.93Å; V167-Q375 HydrophobicContact CG2-CG 4.39Å; L186-Q375 HydrophobicContact CD2-CB 4.01Å; L186-Q375 HydrophobicContact CD2-CG 3.99Å; V371-Q375 PolarHBondContact O-N 3.47Å; E372-Q375 WeakPolarHBondContact O-CB 3.45Å; E372-Q375 PolarHBondContact O-N 3.18Å; Q375-V377 PolarHBondContact O-N 3.28Å; Q375-F378 WeakPolarHBondContact O-CB 3.46Å; Q375-F378 PolarHBondContact O-N 3.18Å; Q375-T379 PolarHBondContact O-N 2.99Å; Q375-T379 PolarHBondContact O-OG1 3.38Å
376	Q	94.6	Very high	94.6	Very high	67 Å²	67	26.8 Å²	26.8	31%	0.313	14%	0.138	S	C	.	.	H	α-helix	trans	-61	-44.9	178.3	-68.4	171.5	-1	0	0	111.6	H331 V335 E372 A373 F378 T379 E380	H331-Q376 PolarHBondContact NE2-OE1 3.33Å; V335-Q376 HydrophobicContact CG1-CB 4.39Å; V335-Q376 HydrophobicContact CG2-CB 3.87Å; E372-Q376 WeakPolarHBondContact O-CG 3.42Å; E372-Q376 PolarHBondContact O-N 2.66Å; A373-Q376 PolarHBondContact O-N 3.4Å; Q376-F378 VanDerWaalsContact C-N 3.33Å; Q376-F378 PolarHBondContact O-N 3.18Å; Q376-T379 PolarHBondContact O-N 3.2Å; Q376-E380 PolarHBondContact O-N 3.43Å
377	V	95.4	Very high	94.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-43.9	175.2	167	0	0	0	0	111.1	L327 V330 H331 V335 A373 T374 Q375 T379 E380 Q381	L327-V377 HydrophobicContact CD1-CG2 4.49Å; V330-V377 HydrophobicContact CG1-CG1 3.65Å; V330-V377 HydrophobicContact CG1-CG2 4.34Å; H331-V377 HydrophobicContact CB-CG2 3.88Å; V335-V377 HydrophobicContact CG2-CG2 4.17Å; A373-V377 WeakPolarHBondContact O-CB 3.47Å; A373-V377 VanDerWaalsContact O-CG2 3.27Å; A373-V377 WeakPolarHBondContact O-CG2 3.41Å; A373-V377 PolarHBondContact O-N 3.1Å; T374-V377 PolarHBondContact O-N 3.1Å; Q375-V377 PolarHBondContact O-N 3.28Å; V377-T379 VanDerWaalsContact C-N 3.35Å; V377-T379 PolarHBondContact O-N 3.14Å; V377-E380 PolarHBondContact O-N 3.4Å; V377-Q381 VanDerWaalsContact CG1-CD 3.44Å; V377-Q381 HydrophobicContact CG1-CG 4.08Å; V377-Q381 WeakPolarHBondContact O-CB 3.43Å; V377-Q381 VanDerWaalsContact O-CG 3.26Å; V377-Q381 WeakPolarHBondContact O-CG 3.46Å; V377-Q381 PolarHBondContact O-N 3.25Å
378	F	96.2	Very high	94.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-43.3	179.3	176.1	-114.8	0	0	0	112.2	A125 L128 V238 M263 T265 L268 T374 Q375 Q376 E380 Q381 L382	A125-F378 HydrophobicContact CB-CZ 4.08Å; L128-F378 HydrophobicContact CD2-CD1 4.19Å; L128-F378 HydrophobicContact CD2-CE1 4Å; L128-F378 HydrophobicContact CG-CE1 4.41Å; V238-F378 HydrophobicContact CG1-CB 4.12Å; V238-F378 HydrophobicContact CG1-CD1 4.3Å; V238-F378 HydrophobicContact CG1-CD2 3.77Å; V238-F378 HydrophobicContact CG1-CE2 4.31Å; V238-F378 HydrophobicContact CG1-CG 3.77Å; V238-F378 HydrophobicContact CG2-CD1 4.43Å; V238-F378 HydrophobicContact CG2-CE1 4.18Å; V238-F378 HydrophobicContact CG2-CE2 4.3Å; V238-F378 HydrophobicContact CG2-CZ 4.1Å; M263-F378 HydrophobicContact CE-CD2 4.33Å; M263-F378 HydrophobicContact CE-CE2 3.16Å; M263-F378 HydrophobicContact CE-CZ 3.33Å; M263-F378 HydrophobicContact SD-CE2 3.99Å; T265-F378 HydrophobicContact CG2-CB 3.82Å; T265-F378 HydrophobicContact CG2-CD2 4.18Å; T265-F378 HydrophobicContact CG2-CG 4.44Å; L268-F378 HydrophobicContact CD1-CD2 4.13Å; L268-F378 HydrophobicContact CD1-CE2 4.19Å; T374-F378 VanDerWaalsContact O-CB 3.26Å; T374-F378 WeakPolarHBondContact O-CB 3.49Å; T374-F378 PolarHBondContact O-N 3.37Å; Q375-F378 WeakPolarHBondContact O-CB 3.46Å; Q375-F378 PolarHBondContact O-N 3.18Å; Q376-F378 VanDerWaalsContact C-N 3.33Å; Q376-F378 PolarHBondContact O-N 3.18Å; F378-E380 VanDerWaalsContact C-N 3.29Å; F378-E380 PolarHBondContact O-N 3.43Å; F378-Q381 PolarHBondContact O-N 3.39Å; F378-L382 HydrophobicContact CD2-CB 4.49Å; F378-L382 HydrophobicContact CE1-CD2 4.34Å; F378-L382 HydrophobicContact CE2-CB 3.95Å; F378-L382 HydrophobicContact CE2-CD1 4.2Å; F378-L382 HydrophobicContact CE2-CD2 4.4Å; F378-L382 HydrophobicContact CE2-CG 4.41Å; F378-L382 HydrophobicContact CZ-CB 4.13Å; F378-L382 HydrophobicContact CZ-CD1 4.27Å; F378-L382 HydrophobicContact CZ-CD2 3.8Å; F378-L382 HydrophobicContact CZ-CG 4.29Å; F378-L382 PolarHBondContact O-N 2.9Å
379	T	95.3	Very high	94.7	Very high	38 Å²	38	32 Å²	32	23%	0.233	16%	0.162	C	C	.	.	H	α-helix	trans	-57.1	-40.5	178.3	-66.6	0	0	0	0	112.5	Q129 Q375 Q376 V377 P383	Q129-T379 HydrophobicContact CG-CG2 4.08Å; Q375-T379 PolarHBondContact O-N 2.99Å; Q375-T379 PolarHBondContact O-OG1 3.38Å; Q376-T379 PolarHBondContact O-N 3.2Å; V377-T379 VanDerWaalsContact C-N 3.35Å; V377-T379 PolarHBondContact O-N 3.14Å; T379-P383 VanDerWaalsContact O-CD 3.25Å; T379-P383 WeakPolarHBondContact O-CD 3.34Å
380	E	94.8	Very high	94.8	Very high	100 Å²	100	32.3 Å²	32.3	47%	0.467	17%	0.169	S	C	.	.	H	α-helix	trans	-77.3	-35.6	176.7	-68	-58.3	138.1	0	0	112.9	Q376 V377 F378 L384	Q376-E380 PolarHBondContact O-N 3.43Å; V377-E380 PolarHBondContact O-N 3.4Å; F378-E380 VanDerWaalsContact C-N 3.29Å; F378-E380 PolarHBondContact O-N 3.43Å; E380-L384 WeakPolarHBondContact O-CD1 3.36Å; E380-L384 WeakPolarHBondContact O-CG 3.1Å
381	Q	95.4	Very high	94.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-77.4	-37.3	-175	-76.4	-178.4	-0.3	0	0	114.1	T265 L268 I272 Y334 V377 F378 L384 F385	T265-Q381 PolarHBondContact O-OE1 3.24Å; L268-Q381 HydrophobicContact CB-CB 4.46Å; L268-Q381 HydrophobicContact CD1-CB 4.39Å; I272-Q381 HydrophobicContact CD1-CB 4.06Å; I272-Q381 HydrophobicContact CD1-CG 4.2Å; I272-Q381 WeakPolarHBondContact CD1-O 3.3Å; Y334-Q381 HydrophobicContact CD1-CG 4.41Å; Y334-Q381 HydrophobicContact CD2-CG 4.18Å; Y334-Q381 HydrophobicContact CE1-CG 4.21Å; Y334-Q381 HydrophobicContact CE2-CG 3.98Å; Y334-Q381 HydrophobicContact CG-CG 4.4Å; V377-Q381 VanDerWaalsContact CG1-CD 3.44Å; V377-Q381 HydrophobicContact CG1-CG 4.08Å; V377-Q381 WeakPolarHBondContact O-CB 3.43Å; V377-Q381 VanDerWaalsContact O-CG 3.26Å; V377-Q381 WeakPolarHBondContact O-CG 3.46Å; V377-Q381 PolarHBondContact O-N 3.25Å; F378-Q381 PolarHBondContact O-N 3.39Å; Q381-L384 PolarHBondContact O-N 3.31Å; Q381-F385 WeakPolarHBondContact O-CB 3.4Å; Q381-F385 PolarHBondContact O-N 3.24Å
382	L	95.1	Very high	95	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-48.9	-173.4	177.6	68.2	0	0	0	112.5	A125 Q129 M263 F378 L384 F385 M386	A125-L382 HydrophobicContact CB-CD2 3.93Å; Q129-L382 HydrophobicContact CB-CD2 4.22Å; Q129-L382 HydrophobicContact CG-CD2 4.4Å; M263-L382 HydrophobicContact CE-CD1 4.4Å; F378-L382 HydrophobicContact CD2-CB 4.49Å; F378-L382 HydrophobicContact CE1-CD2 4.34Å; F378-L382 HydrophobicContact CE2-CB 3.95Å; F378-L382 HydrophobicContact CE2-CD1 4.2Å; F378-L382 HydrophobicContact CE2-CD2 4.4Å; F378-L382 HydrophobicContact CE2-CG 4.41Å; F378-L382 HydrophobicContact CZ-CB 4.13Å; F378-L382 HydrophobicContact CZ-CD1 4.27Å; F378-L382 HydrophobicContact CZ-CD2 3.8Å; F378-L382 HydrophobicContact CZ-CG 4.29Å; F378-L382 PolarHBondContact O-N 2.9Å; L382-L384 PolarHBondContact O-N 3.46Å; L382-F385 PolarHBondContact O-N 3.03Å; L382-M386 HydrophobicContact CD1-CG 4.41Å; L382-M386 WeakPolarHBondContact O-CG 3.41Å; L382-M386 PolarHBondContact O-N 3.33Å
383	P	95.3	Very high	95.1	Very high	60 Å²	60	30.4 Å²	30.4	39%	0.39	16%	0.161	S	C	.	.	H	α-helix	trans	-61.7	-42.8	176.6	-24.1	35.9	0	0	0	113	T379 F385 M386 E387	T379-P383 VanDerWaalsContact O-CD 3.25Å; T379-P383 WeakPolarHBondContact O-CD 3.34Å; P383-F385 VanDerWaalsContact C-N 3.3Å; P383-F385 PolarHBondContact O-N 3.22Å; P383-M386 PolarHBondContact O-N 2.92Å; P383-E387 PolarHBondContact O-N 3.3Å
384	L	95.3	Very high	95.2	Very high	48 Å²	48	30.2 Å²	30.2	25%	0.251	16%	0.16	S	C	.	.	H	α-helix	trans	-63.9	-37.5	179.1	-66.3	176.2	0	0	0	111.7	I272 Y334 E380 Q381 L382 R388	I272-L384 HydrophobicContact CD1-CB 3.92Å; I272-L384 HydrophobicContact CG1-CB 4.41Å; I272-L384 HydrophobicContact CG2-CB 4.39Å; Y334-L384 HydrophobicContact CD1-CD1 4.21Å; Y334-L384 HydrophobicContact CE1-CD1 3.91Å; E380-L384 WeakPolarHBondContact O-CD1 3.36Å; E380-L384 WeakPolarHBondContact O-CG 3.1Å; Q381-L384 PolarHBondContact O-N 3.31Å; L382-L384 PolarHBondContact O-N 3.46Å; L384-R388 WeakPolarHBondContact O-CB 3.44Å; L384-R388 WeakPolarHBondContact O-CG 3.36Å; L384-R388 PolarHBondContact O-N 2.89Å; L384-R388 VanDerWaalsContact O-N 3.11Å
385	F	95.4	Very high	95.2	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-64	-47.6	174.7	177.5	-99.3	0	0	0	111	L268 A271 I272 Q381 L382 P383 E387 R388 C389 T394 F395 M398	L268-F385 HydrophobicContact CD2-CB 4.12Å; L268-F385 HydrophobicContact CD2-CD1 4Å; L268-F385 HydrophobicContact CD2-CD2 3.51Å; L268-F385 HydrophobicContact CD2-CE1 4.32Å; L268-F385 HydrophobicContact CD2-CE2 3.86Å; L268-F385 HydrophobicContact CD2-CG 3.59Å; L268-F385 HydrophobicContact CD2-CZ 4.25Å; A271-F385 HydrophobicContact CB-CD2 4.26Å; A271-F385 HydrophobicContact CB-CE2 4.17Å; I272-F385 HydrophobicContact CD1-CB 4.09Å; I272-F385 HydrophobicContact CG1-CB 4.44Å; Q381-F385 WeakPolarHBondContact O-CB 3.4Å; Q381-F385 PolarHBondContact O-N 3.24Å; L382-F385 PolarHBondContact O-N 3.03Å; P383-F385 VanDerWaalsContact C-N 3.3Å; P383-F385 PolarHBondContact O-N 3.22Å; F385-E387 VanDerWaalsContact C-N 3.32Å; F385-E387 PolarHBondContact O-N 3.02Å; F385-R388 PolarHBondContact O-N 2.63Å; F385-R388 VanDerWaalsContact O-N 3.14Å; F385-C389 HydrophobicContact CE1-CB 4.3Å; F385-C389 HydrophobicContact CE2-CB 4.23Å; F385-C389 HydrophobicContact CZ-CB 4.02Å; F385-C389 PolarHBondContact O-N 3.16Å; F385-T394 HydrophobicContact CZ-CG2 4.28Å; F385-F395 HydrophobicContact CE1-CB 4.42Å; F385-F395 HydrophobicContact CE1-CD2 4.08Å; F385-M398 HydrophobicContact CE2-CE 4.38Å; F385-M398 HydrophobicContact CE2-SD 3.88Å; F385-M398 HydrophobicContact CZ-CE 4.39Å; F385-M398 HydrophobicContact CZ-SD 3.55Å; F385-M398 VanDerWaalsContact CZ-SD 3.55Å
386	M	94.7	Very high	95.3	Very high	60 Å²	60	30.2 Å²	30.2	30%	0.296	16%	0.161	S	C	.	.	H	α-helix	trans	-65.5	-32.8	179.5	-64.4	-59.3	-71.3	0	0	112.6	L122 L382 P383 C389 P390	L122-M386 HydrophobicContact CD1-CE 4.24Å; L382-M386 HydrophobicContact CD1-CG 4.41Å; L382-M386 WeakPolarHBondContact O-CG 3.41Å; L382-M386 PolarHBondContact O-N 3.33Å; P383-M386 PolarHBondContact O-N 2.92Å; M386-C389 CarbonylContact O-C 3.46Å; M386-P390 WeakPolarHBondContact O-CA 3.34Å
387	E	94.2	Very high	95.3	Very high	115 Å²	115	27 Å²	27	54%	0.537	15%	0.146	S	C	.	.	H	α-helix	trans	-66.1	-40.7	172	-169.6	-160.5	143.2	0	0	111.7	P383 F385 R1038	P383-E387 PolarHBondContact O-N 3.3Å; F385-E387 VanDerWaalsContact C-N 3.32Å; F385-E387 PolarHBondContact O-N 3.02Å; E387-R1038 IonicContact OE1-NH1 3.67Å; E387-R1038 PolarHBondContact OE1-NH1 3.24Å
388	R	93.3	Very high	95.3	Very high	15 Å²	15	27.8 Å²	27.8	6%	0.057	15%	0.149	C	C	.	.	H	α-helix	trans	-81.4	-31.1	-176.8	-70.6	-170	105.1	75.5	2.6	113.8	L384 F385 P390 C1037 R1038 I1039 R1041 E1044	L384-R388 WeakPolarHBondContact O-CB 3.44Å; L384-R388 WeakPolarHBondContact O-CG 3.36Å; L384-R388 PolarHBondContact O-N 2.89Å; L384-R388 VanDerWaalsContact O-N 3.11Å; F385-R388 PolarHBondContact O-N 2.63Å; F385-R388 VanDerWaalsContact O-N 3.14Å; R388-P390 VanDerWaalsContact C-CD 3.43Å; R388-P390 VanDerWaalsContact O-CD 3.31Å; R388-P390 WeakPolarHBondContact O-CD 3.11Å; R388-C1037 CarbonylContact O-C 3.56Å; R388-C1037 WeakPolarHBondContact O-CA 3.4Å; R388-R1038 HydrophobicContact CB-CB 4.26Å; R388-R1038 HydrophobicContact CG-CB 4.44Å; R388-R1038 PolarHBondContact O-N 3.35Å; R388-I1039 PolarHBondContact NE-O 3.33Å; R388-I1039 PolarHBondContact NH2-O 3.34Å; R388-R1041 VanDerWaalsContact CZ-CG 3.42Å; R388-E1044 IonicContact CZ-OE1 2.96Å; R388-E1044 IonicContact NH1-OE1 3.14Å; R388-E1044 VanDerWaalsContact NH2-CD 3.3Å; R388-E1044 IonicContact NH2-OE1 3.91Å; R388-E1044 PolarHBondContact NH2-OE1 3.33Å
389	C	94.6	Very high	95.2	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.027	15%	0.151	C	C	.	.	S	Bend	trans	-117.7	74.6	177.4	-61.9	0	0	0	0	108.5	F385 M386 H391 T394	F385-C389 HydrophobicContact CE1-CB 4.3Å; F385-C389 HydrophobicContact CE2-CB 4.23Å; F385-C389 HydrophobicContact CZ-CB 4.02Å; F385-C389 PolarHBondContact O-N 3.16Å; M386-C389 CarbonylContact O-C 3.46Å; C389-H391 VanDerWaalsContact C-N 3.26Å; C389-H391 PolarHBondContact O-N 2.85Å; C389-T394 HydrophobicContact CB-CG2 4.01Å
390	P	94.3	Very high	95.1	Very high	80 Å²	80	27.3 Å²	27.3	52%	0.519	15%	0.145	S	C	.	.			trans	-70.5	-21.6	-169.8	28.5	-36.6	0	0	0	113.5	M386 R388 G1036	M386-P390 WeakPolarHBondContact O-CA 3.34Å; R388-P390 VanDerWaalsContact C-CD 3.43Å; R388-P390 VanDerWaalsContact O-CD 3.31Å; R388-P390 WeakPolarHBondContact O-CD 3.11Å; P390-G1036 WeakPolarHBondContact CD-O 3.21Å
391	H	96	Very high	95	Very high	9 Å²	9	22.9 Å²	22.9	4%	0.042	12%	0.124	C	C	.	.	S	Bend	trans	-83.5	128	-178.1	-162.3	-74	0	0	0	111.7	D107 R111 C389 V393 T394 L1035	D107-H391 IonicContact OD1-CD2 3.08Å; D107-H391 IonicContact OD1-NE2 3.66Å; D107-H391 PolarHBondContact OD1-NE2 2.87Å; D107-H391 VanDerWaalsContact OD1-NE2 3.14Å; R111-H391 VanDerWaalsContact CG-NE2 3.3Å; R111-H391 WeakPolarHBondContact CG-NE2 3.3Å; C389-H391 VanDerWaalsContact C-N 3.26Å; C389-H391 PolarHBondContact O-N 2.85Å; H391-V393 WeakPolarHBondContact CE1-CG2 3.26Å; H391-V393 VanDerWaalsContact ND1-CB 3.32Å; H391-V393 WeakPolarHBondContact ND1-CB 3.3Å; H391-V393 WeakPolarHBondContact ND1-CG2 3.38Å; H391-V393 PolarHBondContact ND1-N 3.13Å; H391-V393 PolarHBondContact O-N 3.08Å; H391-V393 VanDerWaalsContact O-N 3.14Å; H391-T394 PolarHBondContact O-N 3.47Å; H391-T394 VanDerWaalsContact O-N 3.16Å; H391-L1035 HydrophobicContact CB-CB 3.99Å; H391-L1035 HydrophobicContact CB-CD2 4.3Å; H391-L1035 VanDerWaalsContact CB-O 3.27Å; H391-L1035 WeakPolarHBondContact CB-O 3.35Å
392	P	96	Very high	94.8	Very high	21 Å²	21	23 Å²	23	14%	0.136	13%	0.125	C	C	.	.	H	α-helix	trans	-62.9	-26.6	-173.9	24.2	-35	0	0	0	113.7	R111 A114 E115 T394 F395 A396	R111-P392 HydrophobicContact CB-CG 4.36Å; R111-P392 HydrophobicContact CG-CG 4.36Å; A114-P392 HydrophobicContact CB-CB 3.9Å; A114-P392 HydrophobicContact CB-CG 4.1Å; E115-P392 HydrophobicContact CG-CB 4.09Å; E115-P392 HydrophobicContact CG-CG 4.03Å; P392-T394 VanDerWaalsContact C-N 3.25Å; P392-T394 PolarHBondContact O-N 3Å; P392-F395 PolarHBondContact O-N 3.5Å; P392-F395 VanDerWaalsContact O-N 3.17Å; P392-A396 PolarHBondContact O-N 3.14Å
393	V	97.3	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-55	-38.1	175.9	168.5	0	0	0	0	112.5	F110 A114 H391 F395 A396 G397 L1035 H1070 L1071 V1074	F110-V393 HydrophobicContact CB-CG2 4.07Å; A114-V393 HydrophobicContact CB-CB 4.23Å; A114-V393 HydrophobicContact CB-CG2 3.62Å; H391-V393 WeakPolarHBondContact CE1-CG2 3.26Å; H391-V393 VanDerWaalsContact ND1-CB 3.32Å; H391-V393 WeakPolarHBondContact ND1-CB 3.3Å; H391-V393 WeakPolarHBondContact ND1-CG2 3.38Å; H391-V393 PolarHBondContact ND1-N 3.13Å; H391-V393 PolarHBondContact O-N 3.08Å; H391-V393 VanDerWaalsContact O-N 3.14Å; V393-F395 PolarHBondContact O-N 3.36Å; V393-A396 PolarHBondContact O-N 2.86Å; V393-G397 PolarHBondContact O-N 2.94Å; V393-L1035 HydrophobicContact CB-CD1 4.2Å; V393-L1035 HydrophobicContact CB-CD2 4.36Å; V393-L1035 HydrophobicContact CG1-CD1 3.84Å; V393-L1035 HydrophobicContact CG1-CD2 4.49Å; V393-H1070 HydrophobicContact CG1-CB 3.77Å; V393-L1071 HydrophobicContact CG1-CD2 3.89Å; V393-L1071 HydrophobicContact CG1-CG 4.05Å; V393-L1071 HydrophobicContact CG2-CD2 4.14Å; V393-V1074 HydrophobicContact CG1-CG2 4.15Å
394	T	96	Very high	94.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-44.7	179.6	-58.4	0	0	0	0	111.1	F385 C389 H391 P392 M398 C1037	F385-T394 HydrophobicContact CZ-CG2 4.28Å; C389-T394 HydrophobicContact CB-CG2 4.01Å; H391-T394 PolarHBondContact O-N 3.47Å; H391-T394 VanDerWaalsContact O-N 3.16Å; P392-T394 VanDerWaalsContact C-N 3.25Å; P392-T394 PolarHBondContact O-N 3Å; T394-M398 HydrophobicContact CG2-SD 4.27Å; T394-M398 VanDerWaalsContact O-CG 3.3Å; T394-M398 WeakPolarHBondContact O-CG 3.34Å; T394-M398 PolarHBondContact O-N 3.48Å; T394-C1037 PolarHBondContact OG1-SG 3.01Å
395	F	95.6	Very high	94.5	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.031	10%	0.097	C	C	.	.	H	α-helix	trans	-63.9	-49.1	177.2	-178.9	-109.1	0	0	0	111.3	L122 M263 F385 P392 V393 G397 M398 L399	L122-F395 HydrophobicContact CB-CE1 4.1Å; L122-F395 HydrophobicContact CD1-CE1 4.28Å; L122-F395 HydrophobicContact CD1-CZ 4.35Å; M263-F395 HydrophobicContact CE-CE2 4.32Å; M263-F395 HydrophobicContact SD-CE2 3.77Å; F385-F395 HydrophobicContact CE1-CB 4.42Å; F385-F395 HydrophobicContact CE1-CD2 4.08Å; P392-F395 PolarHBondContact O-N 3.5Å; P392-F395 VanDerWaalsContact O-N 3.17Å; V393-F395 PolarHBondContact O-N 3.36Å; F395-G397 PolarHBondContact O-N 3.25Å; F395-M398 PolarHBondContact O-N 3.23Å; F395-L399 HydrophobicContact CD1-CD1 4.16Å; F395-L399 HydrophobicContact CE1-CD1 3.73Å; F395-L399 HydrophobicContact CZ-CD1 4.01Å; F395-L399 WeakPolarHBondContact O-CG 3.49Å; F395-L399 PolarHBondContact O-N 3.31Å
396	A	96.1	Very high	94.6	Very high	6 Å²	6	18.1 Å²	18.1	5%	0.05	10%	0.096	C	C	.	.	H	α-helix	trans	-60.9	-42.9	178.3	0	0	0	0	0	113	A114 P392 V393 L399 E400 V1074	A114-A396 HydrophobicContact CB-CB 4.02Å; P392-A396 PolarHBondContact O-N 3.14Å; V393-A396 PolarHBondContact O-N 2.86Å; A396-L399 PolarHBondContact O-N 3.39Å; A396-E400 PolarHBondContact O-N 2.81Å; A396-V1074 HydrophobicContact CB-CG2 3.77Å
397	G	95.1	Very high	94.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.5	-40.8	178.5	0	0	0	0	0	112.7	V393 F395 E400 M401	V393-G397 PolarHBondContact O-N 2.94Å; F395-G397 PolarHBondContact O-N 3.25Å; G397-E400 PolarHBondContact O-N 3.48Å; G397-M401 WeakPolarHBondContact O-CB 3.45Å; G397-M401 PolarHBondContact O-N 3.3Å
398	M	94.4	Very high	94.7	Very high	15 Å²	15	10 Å²	10	7%	0.074	6%	0.058	C	C	.	.	H	α-helix	trans	-62.7	-41.5	175.2	-75.1	178.7	64.7	0	0	112.3	L268 F385 T394 F395 E400 M401 G402 T806 A807	L268-M398 HydrophobicContact CD2-CE 4.5Å; F385-M398 HydrophobicContact CE2-CE 4.38Å; F385-M398 HydrophobicContact CE2-SD 3.88Å; F385-M398 HydrophobicContact CZ-CE 4.39Å; F385-M398 HydrophobicContact CZ-SD 3.55Å; F385-M398 VanDerWaalsContact CZ-SD 3.55Å; T394-M398 HydrophobicContact CG2-SD 4.27Å; T394-M398 VanDerWaalsContact O-CG 3.3Å; T394-M398 WeakPolarHBondContact O-CG 3.34Å; T394-M398 PolarHBondContact O-N 3.48Å; F395-M398 PolarHBondContact O-N 3.23Å; M398-E400 VanDerWaalsContact C-N 3.35Å; M398-E400 PolarHBondContact O-N 3.11Å; M398-M401 PolarHBondContact O-N 3.2Å; M398-G402 PolarHBondContact O-N 3.23Å; M398-G402 VanDerWaalsContact O-N 3.16Å; M398-T806 WeakPolarHBondContact O-CG2 3.46Å; M398-A807 HydrophobicContact CE-CB 4.14Å
399	L	94.7	Very high	94.7	Very high	7 Å²	7	10.2 Å²	10.2	4%	0.037	6%	0.061	C	C	.	.	H	α-helix	trans	-61.2	-42.9	176.7	-66.2	175.2	0	0	0	111.7	Y121 L236 R261 F395 A396 G402	Y121-L399 HydrophobicContact CD2-CD1 3.99Å; Y121-L399 HydrophobicContact CG-CD1 4.07Å; L236-L399 HydrophobicContact CD1-CD2 4.19Å; R261-L399 HydrophobicContact CB-CB 4.22Å; R261-L399 HydrophobicContact CB-CD2 3.99Å; R261-L399 WeakPolarHBondContact CD-O 3.44Å; R261-L399 HydrophobicContact CG-CB 4.26Å; F395-L399 HydrophobicContact CD1-CD1 4.16Å; F395-L399 HydrophobicContact CE1-CD1 3.73Å; F395-L399 HydrophobicContact CZ-CD1 4.01Å; F395-L399 WeakPolarHBondContact O-CG 3.49Å; F395-L399 PolarHBondContact O-N 3.31Å; A396-L399 PolarHBondContact O-N 3.39Å; L399-G402 PolarHBondContact O-N 2.86Å
400	E	93.8	Very high	94.6	Very high	22 Å²	22	13.6 Å²	13.6	10%	0.103	8%	0.076	C	C	.	.	H	α-helix	trans	-72.7	-33.5	-179.9	-160.8	60.5	-151.1	0	0	112.5	R261 A396 G397 M398 G402 V403 L1073 K1077 F1089	R261-E400 IonicContact CZ-OE2 3.97Å; R261-E400 IonicContact NE-OE2 2.63Å; R261-E400 PolarHBondContact NE-OE2 3.19Å; R261-E400 IonicContact NH2-OE1 3.09Å; R261-E400 PolarHBondContact NH2-OE1 2.84Å; R261-E400 IonicContact NH2-OE2 3.51Å; R261-E400 PolarHBondContact NH2-OE2 3.29Å; A396-E400 PolarHBondContact O-N 2.81Å; G397-E400 PolarHBondContact O-N 3.48Å; M398-E400 VanDerWaalsContact C-N 3.35Å; M398-E400 PolarHBondContact O-N 3.11Å; E400-G402 VanDerWaalsContact C-N 3.3Å; E400-G402 PolarHBondContact O-N 3.29Å; E400-V403 WeakPolarHBondContact O-CG2 3.48Å; E400-V403 PolarHBondContact O-N 3.39Å; E400-L1073 HydrophobicContact CB-CB 4.47Å; E400-K1077 WeakPolarHBondContact OE2-CD 3.47Å; E400-K1077 IonicContact OE2-NZ 2.9Å; E400-K1077 PolarHBondContact OE2-NZ 2.84Å; E400-K1077 VanDerWaalsContact OE2-NZ 3.08Å; E400-F1089 WeakPolarHBondContact O-CD1 3.17Å
401	M	91.9	Very high	94.6	Very high	6 Å²	6	10.8 Å²	10.8	3%	0.03	6%	0.057	C	C	.	.	H	α-helix	trans	-66	-32.7	175.8	-174.4	164.6	53.2	0	0	112.6	G397 M398 V403 T806 A814 L1069 L1073	G397-M401 WeakPolarHBondContact O-CB 3.45Å; G397-M401 PolarHBondContact O-N 3.3Å; M398-M401 PolarHBondContact O-N 3.2Å; M401-V403 PolarHBondContact O-N 3.33Å; M401-T806 HydrophobicContact CB-CG2 4.46Å; M401-T806 HydrophobicContact CE-CG2 4.31Å; M401-T806 WeakPolarHBondContact CE-O 3.49Å; M401-A814 HydrophobicContact CE-CB 4.38Å; M401-A814 HydrophobicContact SD-CB 3.74Å; M401-L1069 HydrophobicContact SD-CD2 4.04Å; M401-L1073 HydrophobicContact CB-CD1 4.04Å
402	G	91.1	Very high	94.5	Very high	3 Å²	3	10.5 Å²	10.5	3%	0.031	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.3	179.8	0	0	0	0	0	115.3	R246 M398 L399 E400	R246-G402 PolarHBondContact NE-O 2.63Å; M398-G402 PolarHBondContact O-N 3.23Å; M398-G402 VanDerWaalsContact O-N 3.16Å; L399-G402 PolarHBondContact O-N 2.86Å; E400-G402 VanDerWaalsContact C-N 3.3Å; E400-G402 PolarHBondContact O-N 3.29Å
403	V	92.4	Very high	94.3	Very high	5 Å²	5	12.1 Å²	12.1	3%	0.03	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	23.4	-177.2	-64.9	0	0	0	0	114.4	R246 F262 E400 M401	R246-V403 PolarHBondContact NH2-O 3.39Å; F262-V403 HydrophobicContact CD2-CG1 4.11Å; F262-V403 HydrophobicContact CE2-CG1 4.34Å; E400-V403 WeakPolarHBondContact O-CG2 3.48Å; E400-V403 PolarHBondContact O-N 3.39Å; M401-V403 PolarHBondContact O-N 3.33Å
404	S	93.2	Very high	94.1	Very high	2 Å²	2	17 Å²	17	1%	0.014	8%	0.081	C	C	.	.			trans	-50.2	145.2	176.3	58.5	0	0	0	0	113	R246 C1090	R246-S404 PolarHBondContact NH1-O 2.62Å; R246-S404 PolarHBondContact NH2-O 3.36Å; S404-C1090 CarbonylContact C-O 3.53Å; S404-C1090 WeakPolarHBondContact CA-O 3.48Å; S404-C1090 WeakPolarHBondContact CB-O 3.29Å
405	Y	95.1	Very high	94.1	Very high	3 Å²	3	17.1 Å²	17.1	1%	0.012	8%	0.081	C	C	.	.			trans	-150.3	124.9	-172.3	178.5	-85.6	0	0	0	110.2	Y253 L255 P407 A799 L801 R1088 C1090 L1100	Y253-Y405 PolarHBondContact O-OH 3.37Å; L255-Y405 HydrophobicContact CD1-CE1 3.92Å; L255-Y405 WeakPolarHBondContact CD1-OH 3.33Å; Y405-P407 HydrophobicContact CE1-CB 4.09Å; Y405-A799 HydrophobicContact CD2-CB 4.23Å; Y405-A799 HydrophobicContact CE1-CB 4.13Å; Y405-A799 HydrophobicContact CE2-CB 3.43Å; Y405-A799 VanDerWaalsContact CE2-CB 3.43Å; Y405-A799 WeakPolarHBondContact OH-CB 3.21Å; Y405-L801 HydrophobicContact CD2-CD2 3.65Å; Y405-L801 HydrophobicContact CE2-CD2 4.37Å; Y405-L801 HydrophobicContact CG-CD2 4.46Å; Y405-R1088 VanDerWaalsContact CD2-CZ 3.46Å; Y405-R1088 VanDerWaalsContact CD2-NH1 3.33Å; Y405-C1090 PolarHBondContact N-O 3.35Å; Y405-C1090 VanDerWaalsContact O-CA 3.31Å; Y405-C1090 WeakPolarHBondContact O-CA 3.32Å; Y405-C1090 PolarHBondContact O-SG 2.91Å; Y405-L1100 HydrophobicContact CD1-CD2 4.22Å; Y405-L1100 HydrophobicContact CE1-CD2 4.05Å
406	L	96.3	Very high	94	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.7	178	-60.9	-179.7	0	0	0	110	A799 I800 P802 W819 V838 V1091	L406-A799 CarbonylContact O-C 3.52Å; L406-A799 VanDerWaalsContact O-CA 3.29Å; L406-A799 WeakPolarHBondContact O-CA 3.48Å; L406-I800 HydrophobicContact CB-CB 4.34Å; L406-I800 PolarHBondContact N-O 2.75Å; L406-I800 PolarHBondContact O-N 3.36Å; L406-P802 HydrophobicContact CD1-CG 3.42Å; L406-P802 VanDerWaalsContact CD1-CG 3.42Å; L406-P802 HydrophobicContact CG-CG 3.56Å; L406-W819 HydrophobicContact CD1-CD2 3.2Å; L406-W819 HydrophobicContact CD1-CE3 3.45Å; L406-W819 VanDerWaalsContact CD1-CE3 3.45Å; L406-W819 HydrophobicContact CD1-CG 3.72Å; L406-W819 HydrophobicContact CD1-CH2 3.87Å; L406-W819 HydrophobicContact CD1-CZ2 3.69Å; L406-W819 HydrophobicContact CD1-CZ3 3.78Å; L406-V838 HydrophobicContact CB-CG1 4.21Å; L406-V838 HydrophobicContact CB-CG2 4.38Å; L406-V838 HydrophobicContact CD1-CG2 4.32Å; L406-V838 HydrophobicContact CD2-CG1 4.17Å; L406-V838 HydrophobicContact CD2-CG2 4.42Å; L406-V1091 HydrophobicContact CD2-CB 3.92Å; L406-V1091 HydrophobicContact CD2-CG1 3.97Å
407	P	95.8	Very high	94	Very high	2 Å²	2	24 Å²	24	1%	0.013	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	139.4	173.7	30.7	-34.2	0	0	0	110.5	Y405 V838 Q839 V840 L1100	Y405-P407 HydrophobicContact CE1-CB 4.09Å; P407-V838 HydrophobicContact CG-CG1 4.2Å; P407-V838 WeakPolarHBondContact O-CA 3.34Å; P407-V838 WeakPolarHBondContact O-CG1 3.15Å; P407-Q839 CarbonylContact C-O 3.55Å; P407-Q839 WeakPolarHBondContact CB-O 3.32Å; P407-Q839 PolarHBondContact O-N 3.29Å; P407-Q839 VanDerWaalsContact O-N 3.15Å; P407-V840 HydrophobicContact CG-CG1 4.16Å; P407-L1100 HydrophobicContact CG-CD1 4.31Å
408	V	95.5	Very high	93.9	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163	173.8	-63.6	0	0	0	0	110.2	W412 V773 W775 G798 I800	V408-W412 HydrophobicContact CB-CB 4.42Å; V408-W412 HydrophobicContact CG1-CE3 4.36Å; V408-V773 HydrophobicContact CG2-CG1 3.72Å; V408-W775 HydrophobicContact CG2-CZ3 4.35Å; V408-G798 PolarHBondContact N-O 3.23Å; V408-G798 CarbonylContact O-C 3.57Å; V408-G798 PolarHBondContact O-N 2.88Å; V408-I800 HydrophobicContact CG1-CD1 3.78Å; V408-I800 HydrophobicContact CG1-CG1 4.06Å; V408-I800 HydrophobicContact CG2-CG1 4.17Å
409	N	94.1	Very high	93.9	Very high	20 Å²	20	24.9 Å²	24.9	11%	0.107	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	-176.1	173.4	62.6	18.6	0	0	0	109.4	N411 W412 W775 Q796 Y797 Q839	N409-N411 PolarHBondContact ND2-ND2 3.43Å; N409-N411 PolarHBondContact O-N 3Å; N409-N411 WeakPolarHBondContact OD1-CB 3.32Å; N409-N411 PolarHBondContact OD1-N 3.02Å; N409-N411 PolarHBondContact OD1-ND2 3.01Å; N409-W412 WeakPolarHBondContact O-CB 3.49Å; N409-W412 PolarHBondContact O-N 2.91Å; N409-W775 VanDerWaalsContact C-CZ3 3.46Å; N409-W775 VanDerWaalsContact O-CH2 3.31Å; N409-W775 WeakPolarHBondContact O-CH2 3.38Å; N409-Q796 CarbonylContact C-O 3.28Å; N409-Q796 WeakPolarHBondContact CA-O 3.45Å; N409-Q796 VanDerWaalsContact CB-O 3.3Å; N409-Q796 WeakPolarHBondContact CB-O 3.08Å; N409-Y797 HydrophobicContact CB-CD1 4.23Å; N409-Q839 PolarHBondContact ND2-OE1 2.95Å; N409-Q839 PolarHBondContact OD1-OE1 2.92Å
410	Q	91.9	Very high	94	Very high	75 Å²	75	27 Å²	27	35%	0.35	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-20.7	178.5	69.6	-169.4	8.7	0	0	115.4	W412 D413 R414 G795 Q796	Q410-W412 PolarHBondContact O-N 3Å; Q410-D413 PolarHBondContact O-N 3.09Å; Q410-R414 PolarHBondContact O-N 3.41Å; Q410-G795 VanDerWaalsContact OE1-CA 3.29Å; Q410-Q796 HydrophobicContact CB-CB 4.13Å; Q410-Q796 PolarHBondContact N-O 3.03Å
411	N	93.8	Very high	94.1	Very high	21 Å²	21	30.4 Å²	30.4	11%	0.112	15%	0.147	C	C	.	.	H	α-helix	trans	-66.4	-17.9	177.5	-61.9	-37.6	0	0	0	112.7	N409 Y415 Q839 Y1170	N409-N411 PolarHBondContact ND2-ND2 3.43Å; N409-N411 PolarHBondContact O-N 3Å; N409-N411 WeakPolarHBondContact OD1-CB 3.32Å; N409-N411 PolarHBondContact OD1-N 3.02Å; N409-N411 PolarHBondContact OD1-ND2 3.01Å; N411-Y415 WeakPolarHBondContact O-CB 3.43Å; N411-Y415 PolarHBondContact O-N 2.93Å; N411-Q839 PolarHBondContact ND2-OE1 3.35Å; N411-Y1170 HydrophobicContact CB-CD1 3.93Å; N411-Y1170 HydrophobicContact CB-CE1 3.76Å
412	W	94.6	Very high	94.2	Very high	3 Å²	3	31.6 Å²	31.6	1%	0.011	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-50.9	175	-178.5	-97.2	0	0	0	112.2	V408 N409 Q410 Y415 L416 I768 Q771 V773 W775 I800 W819 M834 M837	V408-W412 HydrophobicContact CB-CB 4.42Å; V408-W412 HydrophobicContact CG1-CE3 4.36Å; N409-W412 WeakPolarHBondContact O-CB 3.49Å; N409-W412 PolarHBondContact O-N 2.91Å; Q410-W412 PolarHBondContact O-N 3Å; W412-Y415 WeakPolarHBondContact O-CB 3.37Å; W412-Y415 PolarHBondContact O-N 3.41Å; W412-L416 WeakPolarHBondContact O-CG 3.32Å; W412-L416 PolarHBondContact O-N 2.68Å; W412-I768 HydrophobicContact CH2-CG2 3.81Å; W412-I768 HydrophobicContact CZ2-CG2 3.87Å; W412-Q771 HydrophobicContact CZ2-CB 4.31Å; W412-Q771 HydrophobicContact CZ2-CG 4.43Å; W412-V773 HydrophobicContact CG-CG2 4.4Å; W412-W775 HydrophobicContact CB-CH2 4.48Å; W412-I800 HydrophobicContact CD2-CD1 4.18Å; W412-I800 HydrophobicContact CE3-CD1 4.39Å; W412-I800 HydrophobicContact CH2-CD1 4.18Å; W412-I800 HydrophobicContact CZ2-CD1 3.93Å; W412-I800 HydrophobicContact CZ3-CD1 4.41Å; W412-W819 AromaticContact CH2-CH2 3.65Å; W412-W819 HydrophobicContact CH2-CH2 3.65Å; W412-W819 AromaticContact CH2-CZ2 3.87Å; W412-W819 HydrophobicContact CH2-CZ2 3.87Å; W412-W819 AromaticContact CZ3-CH2 3.63Å; W412-W819 HydrophobicContact CZ3-CH2 3.63Å; W412-W819 HydrophobicContact CZ3-CZ2 4.27Å; W412-M834 HydrophobicContact CH2-CG 4.07Å; W412-M834 HydrophobicContact CH2-SD 4.5Å; W412-M834 HydrophobicContact CZ3-CG 4.1Å; W412-M837 HydrophobicContact CE3-CB 3.7Å; W412-M837 HydrophobicContact CZ3-CB 3.99Å
413	D	92.4	Very high	94.4	Very high	55 Å²	55	33.2 Å²	33.2	29%	0.294	16%	0.16	S	C	.	.	H	α-helix	trans	-66.6	-43.2	179.8	-67.7	-20.5	0	0	0	110.4	Q410 Y415 L416 E417 W775	Q410-D413 PolarHBondContact O-N 3.09Å; D413-Y415 VanDerWaalsContact C-N 3.29Å; D413-Y415 PolarHBondContact O-N 3.12Å; D413-L416 WeakPolarHBondContact O-CB 3.48Å; D413-L416 PolarHBondContact O-N 3.05Å; D413-L416 VanDerWaalsContact O-N 3.1Å; D413-E417 WeakPolarHBondContact O-CG 2.98Å; D413-E417 PolarHBondContact O-N 3.2Å; D413-W775 WeakPolarHBondContact OD2-CZ2 3.41Å
414	R	93.1	Very high	94.5	Very high	103 Å²	103	37.1 Å²	37.1	39%	0.389	18%	0.178	S	C	.	.	H	α-helix	trans	-55	-44.3	172.8	179.4	176	-177.7	-172.5	4.7	112.2	Q410 E417 D418	Q410-R414 PolarHBondContact O-N 3.41Å; R414-E417 PolarHBondContact O-N 3.42Å; R414-D418 VanDerWaalsContact CG-OD2 3.24Å; R414-D418 WeakPolarHBondContact CG-OD2 3.49Å; R414-D418 IonicContact NE-OD2 2.8Å; R414-D418 WeakPolarHBondContact O-CB 3.45Å; R414-D418 PolarHBondContact O-N 2.96Å
415	Y	94.8	Very high	94.6	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-39.7	177.5	156	-98.2	0	0	0	112.7	N411 W412 D413 S419 W761 I768 G831 E833 M834 M837	N411-Y415 WeakPolarHBondContact O-CB 3.43Å; N411-Y415 PolarHBondContact O-N 2.93Å; W412-Y415 WeakPolarHBondContact O-CB 3.37Å; W412-Y415 PolarHBondContact O-N 3.41Å; D413-Y415 VanDerWaalsContact C-N 3.29Å; D413-Y415 PolarHBondContact O-N 3.12Å; Y415-S419 WeakPolarHBondContact CD2-OG 3.23Å; Y415-S419 VanDerWaalsContact CE2-OG 3.3Å; Y415-S419 WeakPolarHBondContact CE2-OG 3.01Å; Y415-S419 WeakPolarHBondContact O-CB 3.4Å; Y415-S419 PolarHBondContact O-N 3.43Å; Y415-S419 PolarHBondContact O-OG 2.77Å; Y415-W761 HydrophobicContact CE1-CH2 4.43Å; Y415-W761 HydrophobicContact CE1-CZ3 4.37Å; Y415-W761 AromaticContact CZ-CZ3 3.96Å; Y415-W761 WeakPolarHBondContact OH-CZ3 3.45Å; Y415-I768 HydrophobicContact CE1-CG2 4.18Å; Y415-G831 PolarHBondContact OH-O 3.15Å; Y415-E833 HydrophobicContact CD2-CG 4.04Å; Y415-E833 HydrophobicContact CE2-CG 3.8Å; Y415-E833 WeakPolarHBondContact CE2-OE1 3.26Å; Y415-M834 HydrophobicContact CE1-CB 4.49Å; Y415-M834 HydrophobicContact CE1-CG 4.35Å; Y415-M834 WeakPolarHBondContact OH-CB 3.3Å; Y415-M837 HydrophobicContact CD1-CG 3.87Å; Y415-M837 HydrophobicContact CD2-CG 3.81Å; Y415-M837 HydrophobicContact CD2-SD 4.2Å; Y415-M837 HydrophobicContact CE1-CG 4.43Å; Y415-M837 HydrophobicContact CE2-CG 4.36Å; Y415-M837 HydrophobicContact CG-CG 3.52Å; Y415-M837 HydrophobicContact CG-SD 3.98Å
416	L	94.7	Very high	94.5	Very high	30 Å²	30	43 Å²	43	16%	0.157	21%	0.206	C	C	.	.	H	α-helix	trans	-63.8	-47	177	-72.5	177.3	0	0	0	111.1	W412 D413 Q420 W761 I768	W412-L416 WeakPolarHBondContact O-CG 3.32Å; W412-L416 PolarHBondContact O-N 2.68Å; D413-L416 WeakPolarHBondContact O-CB 3.48Å; D413-L416 PolarHBondContact O-N 3.05Å; D413-L416 VanDerWaalsContact O-N 3.1Å; L416-Q420 VanDerWaalsContact O-CB 3.25Å; L416-Q420 WeakPolarHBondContact O-CB 3.4Å; L416-Q420 PolarHBondContact O-N 3.12Å; L416-W761 HydrophobicContact CD2-CH2 4.11Å; L416-I768 HydrophobicContact CD2-CG2 3.82Å
417	E	94.4	Very high	94.3	Very high	128 Å²	128	45.4 Å²	45.4	60%	0.598	22%	0.217	S	C	*	.	H	α-helix	trans	-61.6	-54.9	176.6	-69.6	175.7	177.5	0	0	110.8	D413 R414 S419 Q420 D421	D413-E417 WeakPolarHBondContact O-CG 2.98Å; D413-E417 PolarHBondContact O-N 3.2Å; R414-E417 PolarHBondContact O-N 3.42Å; E417-S419 VanDerWaalsContact C-N 3.29Å; E417-S419 PolarHBondContact O-N 2.94Å; E417-Q420 PolarHBondContact O-N 3.17Å; E417-Q420 VanDerWaalsContact O-N 3.09Å; E417-D421 WeakPolarHBondContact O-CB 3.08Å; E417-D421 PolarHBondContact O-N 3.15Å
418	D	94.3	Very high	94	Very high	34 Å²	34	53.2 Å²	53.2	18%	0.182	25%	0.246	C	C	.	.	H	α-helix	trans	-57.4	-41.7	-179.3	-73.3	-40	0	0	0	112	R414 V422 R1169	R414-D418 VanDerWaalsContact CG-OD2 3.24Å; R414-D418 WeakPolarHBondContact CG-OD2 3.49Å; R414-D418 IonicContact NE-OD2 2.8Å; R414-D418 WeakPolarHBondContact O-CB 3.45Å; R414-D418 PolarHBondContact O-N 2.96Å; D418-V422 WeakPolarHBondContact O-CB 3.45Å; D418-V422 VanDerWaalsContact O-CG2 3.27Å; D418-V422 WeakPolarHBondContact O-CG2 3.4Å; D418-V422 PolarHBondContact O-N 3.27Å; D418-V422 VanDerWaalsContact O-N 3.09Å; D418-R1169 IonicContact OD1-NH2 3.4Å; D418-R1169 PolarHBondContact OD1-NH2 2.87Å; D418-R1169 IonicContact OD2-CZ 2.69Å; D418-R1169 VanDerWaalsContact OD2-CZ 3.3Å; D418-R1169 IonicContact OD2-NE 3.26Å; D418-R1169 IonicContact OD2-NH2 3.33Å; D418-R1169 PolarHBondContact OD2-NH2 3.21Å
419	S	95.1	Very high	93.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-69.9	-37.5	178.8	-63	0	0	0	0	112.4	Y415 E417 Y423 W761 V830	Y415-S419 WeakPolarHBondContact CD2-OG 3.23Å; Y415-S419 VanDerWaalsContact CE2-OG 3.3Å; Y415-S419 WeakPolarHBondContact CE2-OG 3.01Å; Y415-S419 WeakPolarHBondContact O-CB 3.4Å; Y415-S419 PolarHBondContact O-N 3.43Å; Y415-S419 PolarHBondContact O-OG 2.77Å; E417-S419 VanDerWaalsContact C-N 3.29Å; E417-S419 PolarHBondContact O-N 2.94Å; S419-Y423 VanDerWaalsContact O-CB 3.28Å; S419-Y423 WeakPolarHBondContact O-CB 3.41Å; S419-Y423 PolarHBondContact O-N 3.15Å; S419-W761 VanDerWaalsContact CB-CZ2 3.47Å; S419-V830 WeakPolarHBondContact O-CG1 3.44Å
420	Q	95.1	Very high	93.7	Very high	51 Å²	51	55.8 Å²	55.8	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-70.3	-44	177.7	-175.7	58.3	28.7	0	0	111.2	L416 E417 Y423 E424 W761	L416-Q420 VanDerWaalsContact O-CB 3.25Å; L416-Q420 WeakPolarHBondContact O-CB 3.4Å; L416-Q420 PolarHBondContact O-N 3.12Å; E417-Q420 PolarHBondContact O-N 3.17Å; E417-Q420 VanDerWaalsContact O-N 3.09Å; Q420-Y423 WeakPolarHBondContact O-CB 3.24Å; Q420-Y423 PolarHBondContact O-N 2.9Å; Q420-E424 PolarHBondContact NE2-OE1 3.23Å; Q420-E424 WeakPolarHBondContact O-CG 3.37Å; Q420-E424 PolarHBondContact O-N 3.25Å; Q420-W761 HydrophobicContact CB-CZ2 4.48Å
421	D	95.6	Very high	93.6	Very high	94 Å²	94	56.1 Å²	56.1	50%	0.503	26%	0.258	S	S	.	.	H	α-helix	trans	-61.4	-47.1	178	-75.8	-9.6	0	0	0	111.5	E417 Y423 E424 E425	E417-D421 WeakPolarHBondContact O-CB 3.08Å; E417-D421 PolarHBondContact O-N 3.15Å; D421-Y423 VanDerWaalsContact C-N 3.32Å; D421-Y423 PolarHBondContact O-N 3.12Å; D421-E424 PolarHBondContact O-N 3.48Å; D421-E425 WeakPolarHBondContact O-CB 3.5Å; D421-E425 PolarHBondContact O-N 3.35Å
422	V	95.3	Very high	93.4	Very high	31 Å²	31	61.8 Å²	61.8	19%	0.188	28%	0.282	C	S	.	.	H	α-helix	trans	-64.6	-38.8	176.7	171.6	0	0	0	0	111	D418 E425 L426 V830 P1160	D418-V422 WeakPolarHBondContact O-CB 3.45Å; D418-V422 VanDerWaalsContact O-CG2 3.27Å; D418-V422 WeakPolarHBondContact O-CG2 3.4Å; D418-V422 PolarHBondContact O-N 3.27Å; D418-V422 VanDerWaalsContact O-N 3.09Å; V422-E425 PolarHBondContact O-N 3.28Å; V422-L426 HydrophobicContact CG1-CD1 3.88Å; V422-L426 HydrophobicContact CG1-CG 4.26Å; V422-L426 VanDerWaalsContact O-CB 3.3Å; V422-L426 WeakPolarHBondContact O-CB 3.32Å; V422-L426 WeakPolarHBondContact O-CG 3.5Å; V422-L426 PolarHBondContact O-N 2.72Å; V422-V830 HydrophobicContact CG1-CG1 4.39Å; V422-V830 HydrophobicContact CG1-CG2 4.25Å; V422-P1160 HydrophobicContact CG1-CB 4.31Å
423	Y	94.7	Very high	93.2	Very high	37 Å²	37	62 Å²	62	15%	0.145	28%	0.284	C	S	.	.	H	α-helix	trans	-60.5	-45.1	173.6	168.2	-90.3	0	0	0	111.6	S419 Q420 D421 L426 E427 M758 W761 R762	S419-Y423 VanDerWaalsContact O-CB 3.28Å; S419-Y423 WeakPolarHBondContact O-CB 3.41Å; S419-Y423 PolarHBondContact O-N 3.15Å; Q420-Y423 WeakPolarHBondContact O-CB 3.24Å; Q420-Y423 PolarHBondContact O-N 2.9Å; D421-Y423 VanDerWaalsContact C-N 3.32Å; D421-Y423 PolarHBondContact O-N 3.12Å; Y423-L426 PolarHBondContact O-N 3.15Å; Y423-E427 VanDerWaalsContact CE1-OE2 3.24Å; Y423-E427 WeakPolarHBondContact CE1-OE2 3.39Å; Y423-E427 WeakPolarHBondContact O-CB 3.15Å; Y423-E427 PolarHBondContact O-N 3.19Å; Y423-E427 PolarHBondContact OH-OE2 2.92Å; Y423-M758 HydrophobicContact CD2-CB 3.93Å; Y423-M758 HydrophobicContact CD2-CG 3.82Å; Y423-M758 HydrophobicContact CD2-SD 4.05Å; Y423-M758 HydrophobicContact CE2-CB 3.87Å; Y423-M758 HydrophobicContact CE2-CG 4.07Å; Y423-M758 HydrophobicContact CE2-SD 3.96Å; Y423-W761 HydrophobicContact CD2-CB 4.26Å; Y423-W761 AromaticContact CD2-CD1 3.67Å; Y423-W761 HydrophobicContact CD2-CG 4.33Å; Y423-W761 AromaticContact CG-CD1 3.5Å; Y423-W761 VanDerWaalsContact CG-CD1 3.5Å; Y423-W761 HydrophobicContact CG-CG 4.44Å; Y423-R762 HydrophobicContact CE2-CB 4.32Å
424	E	94.6	Very high	93	Very high	87 Å²	87	59.5 Å²	59.5	41%	0.407	27%	0.27	S	S	.	.	H	α-helix	trans	-69.2	-36.1	179.5	-71.8	179.1	-168.1	0	0	112.9	Q420 D421 R428	Q420-E424 PolarHBondContact NE2-OE1 3.23Å; Q420-E424 WeakPolarHBondContact O-CG 3.37Å; Q420-E424 PolarHBondContact O-N 3.25Å; D421-E424 PolarHBondContact O-N 3.48Å; E424-R428 WeakPolarHBondContact O-CB 3.42Å; E424-R428 VanDerWaalsContact O-CG 3.27Å; E424-R428 WeakPolarHBondContact O-CG 3.1Å; E424-R428 PolarHBondContact O-N 3.33Å; E424-R428 PolarHBondContact O-NE 3.4Å
425	E	95.1	Very high	92.8	Very high	115 Å²	115	56.7 Å²	56.7	54%	0.537	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-50.7	171.5	-175.1	177	-174.2	0	0	111.3	D421 V422 E427 R428 E429	D421-E425 WeakPolarHBondContact O-CB 3.5Å; D421-E425 PolarHBondContact O-N 3.35Å; V422-E425 PolarHBondContact O-N 3.28Å; E425-E427 VanDerWaalsContact C-N 3.32Å; E425-E427 PolarHBondContact O-N 3.08Å; E425-R428 PolarHBondContact O-N 3.1Å; E425-E429 WeakPolarHBondContact O-CB 3.28Å; E425-E429 PolarHBondContact O-N 3.36Å
426	L	93.6	Very high	92.5	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-61.5	-40.1	177	-72.5	174.9	0	0	0	111.5	V422 Y423 R428 E429 M430 I754 M757 M758 V830	V422-L426 HydrophobicContact CG1-CD1 3.88Å; V422-L426 HydrophobicContact CG1-CG 4.26Å; V422-L426 VanDerWaalsContact O-CB 3.3Å; V422-L426 WeakPolarHBondContact O-CB 3.32Å; V422-L426 WeakPolarHBondContact O-CG 3.5Å; V422-L426 PolarHBondContact O-N 2.72Å; Y423-L426 PolarHBondContact O-N 3.15Å; L426-R428 VanDerWaalsContact C-N 3.34Å; L426-R428 PolarHBondContact O-N 2.56Å; L426-E429 PolarHBondContact O-N 3.38Å; L426-M430 VanDerWaalsContact O-CB 3.3Å; L426-M430 WeakPolarHBondContact O-CB 3.47Å; L426-M430 PolarHBondContact O-N 3.09Å; L426-I754 HydrophobicContact CB-CG2 3.78Å; L426-I754 HydrophobicContact CD2-CG1 4.1Å; L426-I754 HydrophobicContact CD2-CG2 4.31Å; L426-I754 WeakPolarHBondContact O-CG2 3.41Å; L426-M757 HydrophobicContact CD1-CB 4.17Å; L426-M758 HydrophobicContact CB-CG 4.01Å; L426-M758 HydrophobicContact CB-SD 3.84Å; L426-M758 HydrophobicContact CD1-CG 4.29Å; L426-V830 HydrophobicContact CD1-CG2 3.5Å
427	E	91.3	Very high	92.1	Very high	51 Å²	51	58.4 Å²	58.4	24%	0.238	27%	0.271	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176.5	-172.2	177.8	165.7	0	0	111.2	Y423 E425 K431 M758	Y423-E427 VanDerWaalsContact CE1-OE2 3.24Å; Y423-E427 WeakPolarHBondContact CE1-OE2 3.39Å; Y423-E427 WeakPolarHBondContact O-CB 3.15Å; Y423-E427 PolarHBondContact O-N 3.19Å; Y423-E427 PolarHBondContact OH-OE2 2.92Å; E425-E427 VanDerWaalsContact C-N 3.32Å; E425-E427 PolarHBondContact O-N 3.08Å; E427-K431 HydrophobicContact CG-CD 4.46Å; E427-K431 WeakPolarHBondContact O-CB 3.18Å; E427-K431 WeakPolarHBondContact O-CG 3.48Å; E427-K431 PolarHBondContact O-N 2.98Å; E427-K431 WeakPolarHBondContact OE1-CE 3.33Å; E427-K431 IonicContact OE1-NZ 3.17Å; E427-K431 PolarHBondContact OE1-NZ 3.03Å; E427-M758 HydrophobicContact CB-SD 3.92Å; E427-M758 PolarHBondContact N-SD 3.5Å
428	R	91.1	Very high	91.8	Very high	166 Å²	166	52.3 Å²	52.3	63%	0.626	24%	0.242	S	C	*	.	H	α-helix	trans	-66.3	-44	175	-74.8	-178.4	-66.1	-177.3	0.6	112.1	E424 E425 L426 K431 K432	E424-R428 WeakPolarHBondContact O-CB 3.42Å; E424-R428 VanDerWaalsContact O-CG 3.27Å; E424-R428 WeakPolarHBondContact O-CG 3.1Å; E424-R428 PolarHBondContact O-N 3.33Å; E424-R428 PolarHBondContact O-NE 3.4Å; E425-R428 PolarHBondContact O-N 3.1Å; L426-R428 VanDerWaalsContact C-N 3.34Å; L426-R428 PolarHBondContact O-N 2.56Å; R428-K431 PolarHBondContact O-N 3.01Å; R428-K432 WeakPolarHBondContact O-CB 3.42Å; R428-K432 PolarHBondContact O-N 3.22Å
429	E	92.3	Very high	91.4	Very high	65 Å²	65	53.3 Å²	53.3	30%	0.304	25%	0.247	S	C	.	.	H	α-helix	trans	-58.1	-49.7	176	-171.7	-170.8	163.5	0	0	110.2	E425 L426 K431 K432 S433 R750 I754	E425-E429 WeakPolarHBondContact O-CB 3.28Å; E425-E429 PolarHBondContact O-N 3.36Å; L426-E429 PolarHBondContact O-N 3.38Å; E429-K431 PolarHBondContact O-N 2.87Å; E429-K432 WeakPolarHBondContact O-CB 3.21Å; E429-K432 PolarHBondContact O-N 3.3Å; E429-S433 PolarHBondContact O-N 3.04Å; E429-S433 PolarHBondContact O-OG 2.98Å; E429-R750 IonicContact OE1-CZ 3.54Å; E429-R750 IonicContact OE1-NE 3.92Å; E429-R750 PolarHBondContact OE1-NE 3Å; E429-R750 IonicContact OE1-NH2 3.56Å; E429-R750 PolarHBondContact OE1-NH2 2.86Å; E429-R750 IonicContact OE2-CZ 2.73Å; E429-R750 IonicContact OE2-NE 3.78Å; E429-R750 IonicContact OE2-NH2 3.67Å; E429-R750 PolarHBondContact OE2-NH2 2.94Å; E429-I754 HydrophobicContact CB-CD1 4.05Å; E429-I754 HydrophobicContact CG-CD1 3.81Å
430	M	90.3	Very high	91	Very high	13 Å²	13	56.7 Å²	56.7	6%	0.064	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-45.7	178.3	-175.5	-177.1	69.7	0	0	112	L426 K432 S433 L434 L561 A751 I754 N755 M758	L426-M430 VanDerWaalsContact O-CB 3.3Å; L426-M430 WeakPolarHBondContact O-CB 3.47Å; L426-M430 PolarHBondContact O-N 3.09Å; M430-K432 VanDerWaalsContact C-N 3.3Å; M430-K432 PolarHBondContact O-N 3.14Å; M430-S433 PolarHBondContact O-N 2.88Å; M430-L434 HydrophobicContact CG-CD1 4.28Å; M430-L434 WeakPolarHBondContact O-CB 3.36Å; M430-L434 VanDerWaalsContact O-CG 3.29Å; M430-L434 WeakPolarHBondContact O-CG 3.35Å; M430-L434 PolarHBondContact O-N 2.87Å; M430-L561 HydrophobicContact CE-CD1 3.67Å; M430-L561 HydrophobicContact CE-CG 3.85Å; M430-L561 HydrophobicContact SD-CD1 3.6Å; M430-L561 HydrophobicContact SD-CD2 4.08Å; M430-L561 HydrophobicContact SD-CG 3.96Å; M430-A751 HydrophobicContact CG-CB 4.11Å; M430-I754 HydrophobicContact CB-CB 4.3Å; M430-I754 HydrophobicContact CB-CD1 4.18Å; M430-I754 HydrophobicContact CB-CG2 3.75Å; M430-I754 HydrophobicContact CG-CG2 4.35Å; M430-I754 HydrophobicContact SD-CG2 4.25Å; M430-N755 HydrophobicContact SD-CB 4.28Å; M430-M758 HydrophobicContact CE-CE 3.49Å; M430-M758 VanDerWaalsContact CE-CE 3.49Å; M430-M758 HydrophobicContact SD-CE 3.52Å; M430-M758 VanDerWaalsContact SD-CE 3.52Å
431	K	89.1	Confident	90.6	Very high	81 Å²	81	54.2 Å²	54.2	35%	0.352	25%	0.254	S	S	.	.	H	α-helix	trans	-57.9	-43.9	175.4	-78.9	175.8	-175.3	165.8	0	111.1	E427 R428 E429 L434 M435	E427-K431 HydrophobicContact CG-CD 4.46Å; E427-K431 WeakPolarHBondContact O-CB 3.18Å; E427-K431 WeakPolarHBondContact O-CG 3.48Å; E427-K431 PolarHBondContact O-N 2.98Å; E427-K431 WeakPolarHBondContact OE1-CE 3.33Å; E427-K431 IonicContact OE1-NZ 3.17Å; E427-K431 PolarHBondContact OE1-NZ 3.03Å; R428-K431 PolarHBondContact O-N 3.01Å; E429-K431 PolarHBondContact O-N 2.87Å; K431-L434 PolarHBondContact O-N 3.12Å; K431-M435 VanDerWaalsContact O-CG 3.25Å; K431-M435 WeakPolarHBondContact O-CG 3.22Å; K431-M435 PolarHBondContact O-N 3.26Å
432	K	89.6	Confident	90	Very high	141 Å²	141	50.6 Å²	50.6	61%	0.613	24%	0.236	S	C	*	.	H	α-helix	trans	-62.7	-44.8	176.8	-172.5	-179.7	179.6	-177.9	0	112.2	R428 E429 M430 L434 M435 I436	R428-K432 WeakPolarHBondContact O-CB 3.42Å; R428-K432 PolarHBondContact O-N 3.22Å; E429-K432 WeakPolarHBondContact O-CB 3.21Å; E429-K432 PolarHBondContact O-N 3.3Å; M430-K432 VanDerWaalsContact C-N 3.3Å; M430-K432 PolarHBondContact O-N 3.14Å; K432-L434 VanDerWaalsContact C-N 3.31Å; K432-L434 PolarHBondContact O-N 3.49Å; K432-M435 PolarHBondContact O-N 3.1Å; K432-I436 HydrophobicContact CG-CD1 4.25Å; K432-I436 VanDerWaalsContact O-CG1 3.32Å; K432-I436 WeakPolarHBondContact O-CG1 3.32Å; K432-I436 PolarHBondContact O-N 3.25Å
433	S	89.7	Confident	89.5	Confident	8 Å²	8	54.3 Å²	54.3	6%	0.056	25%	0.251	C	S	.	.	H	α-helix	trans	-60.5	-40.9	175.1	-63.3	0	0	0	0	111.9	E429 M430 I436 L437	E429-S433 PolarHBondContact O-N 3.04Å; E429-S433 PolarHBondContact O-OG 2.98Å; M430-S433 PolarHBondContact O-N 2.88Å; S433-I436 PolarHBondContact O-N 3.18Å; S433-L437 VanDerWaalsContact O-CG 3.3Å; S433-L437 WeakPolarHBondContact O-CG 3.34Å; S433-L437 PolarHBondContact O-N 3.27Å
434	L	89	Confident	89	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-67.3	-39.4	176.3	-70.3	178.4	0	0	0	112.6	M430 K431 K432 L437 A438 I559 L561 T566 M570 A751	M430-L434 HydrophobicContact CG-CD1 4.28Å; M430-L434 WeakPolarHBondContact O-CB 3.36Å; M430-L434 VanDerWaalsContact O-CG 3.29Å; M430-L434 WeakPolarHBondContact O-CG 3.35Å; M430-L434 PolarHBondContact O-N 2.87Å; K431-L434 PolarHBondContact O-N 3.12Å; K432-L434 VanDerWaalsContact C-N 3.31Å; K432-L434 PolarHBondContact O-N 3.49Å; L434-L437 HydrophobicContact CD2-CD1 4.39Å; L434-L437 PolarHBondContact O-N 3.26Å; L434-A438 PolarHBondContact O-N 3.28Å; L434-I559 HydrophobicContact CB-CD1 3.92Å; L434-I559 HydrophobicContact CB-CG1 4.16Å; L434-I559 HydrophobicContact CB-CG2 3.73Å; L434-I559 HydrophobicContact CD1-CG1 4.48Å; L434-L561 HydrophobicContact CD1-CD2 4.12Å; L434-T566 HydrophobicContact CD1-CG2 4.07Å; L434-T566 HydrophobicContact CD2-CG2 3.72Å; L434-M570 HydrophobicContact CD2-CG 3.93Å; L434-M570 HydrophobicContact CD2-SD 3.9Å; L434-A751 HydrophobicContact CD2-CB 4.47Å
435	M	88.9	Confident	88.5	Confident	45 Å²	45	51.9 Å²	51.9	22%	0.222	24%	0.243	C	C	.	.	H	α-helix	trans	-59.7	-48.4	173.5	-72.6	170.7	69.8	0	0	110.7	K431 K432 L437 A438 D439 A556 I559	K431-M435 VanDerWaalsContact O-CG 3.25Å; K431-M435 WeakPolarHBondContact O-CG 3.22Å; K431-M435 PolarHBondContact O-N 3.26Å; K432-M435 PolarHBondContact O-N 3.1Å; M435-L437 VanDerWaalsContact C-N 3.3Å; M435-L437 PolarHBondContact O-N 2.69Å; M435-A438 WeakPolarHBondContact O-CB 3.32Å; M435-A438 PolarHBondContact O-N 2.93Å; M435-A438 VanDerWaalsContact O-N 3.08Å; M435-D439 PolarHBondContact O-N 3.23Å; M435-A556 WeakPolarHBondContact CG-O 3.42Å; M435-I559 HydrophobicContact CG-CG2 4.04Å
436	I	88.4	Confident	87.8	Confident	57 Å²	57	52.8 Å²	52.8	29%	0.292	25%	0.247	S	C	.	.	H	α-helix	trans	-58	-44.7	177.2	-65.7	163.7	0	0	0	110.7	K432 S433 A438 D439 D440	K432-I436 HydrophobicContact CG-CD1 4.25Å; K432-I436 VanDerWaalsContact O-CG1 3.32Å; K432-I436 WeakPolarHBondContact O-CG1 3.32Å; K432-I436 PolarHBondContact O-N 3.25Å; S433-I436 PolarHBondContact O-N 3.18Å; I436-A438 VanDerWaalsContact C-N 3.31Å; I436-A438 PolarHBondContact O-N 3.2Å; I436-D439 PolarHBondContact O-N 3.21Å; I436-D440 VanDerWaalsContact O-CB 3.31Å; I436-D440 WeakPolarHBondContact O-CB 3.49Å; I436-D440 PolarHBondContact O-N 3.44Å
437	L	87.7	Confident	87	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-36.1	177.3	-70.1	170.6	0	0	0	113	S433 L434 M435 A441 M570 N747 A748	S433-L437 VanDerWaalsContact O-CG 3.3Å; S433-L437 WeakPolarHBondContact O-CG 3.34Å; S433-L437 PolarHBondContact O-N 3.27Å; L434-L437 HydrophobicContact CD2-CD1 4.39Å; L434-L437 PolarHBondContact O-N 3.26Å; M435-L437 VanDerWaalsContact C-N 3.3Å; M435-L437 PolarHBondContact O-N 2.69Å; L437-A441 VanDerWaalsContact O-CB 3.24Å; L437-A441 WeakPolarHBondContact O-CB 3.05Å; L437-A441 PolarHBondContact O-N 3.19Å; L437-M570 HydrophobicContact CD1-CG 4.11Å; L437-N747 HydrophobicContact CD2-CB 4.35Å; L437-N747 HydrophobicContact CG-CB 4.34Å; L437-A748 HydrophobicContact CD1-CB 3.95Å; L437-A748 HydrophobicContact CD2-CB 4.43Å
438	A	87.4	Confident	86.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-70.5	-41.8	176	0	0	0	0	0	111.8	L434 M435 I436 A441 C442 Y540 L543 A556 I559 L569	L434-A438 PolarHBondContact O-N 3.28Å; M435-A438 WeakPolarHBondContact O-CB 3.32Å; M435-A438 PolarHBondContact O-N 2.93Å; M435-A438 VanDerWaalsContact O-N 3.08Å; I436-A438 VanDerWaalsContact C-N 3.31Å; I436-A438 PolarHBondContact O-N 3.2Å; A438-A441 PolarHBondContact O-N 3.13Å; A438-C442 PolarHBondContact O-N 3.45Å; A438-Y540 HydrophobicContact CB-CD2 4.42Å; A438-Y540 HydrophobicContact CB-CE2 4.28Å; A438-L543 HydrophobicContact CB-CD1 4.18Å; A438-A556 HydrophobicContact CB-CB 3.8Å; A438-I559 HydrophobicContact CB-CD1 4.18Å; A438-L569 HydrophobicContact CB-CD1 4.09Å
439	D	86.6	Confident	86	Confident	54 Å²	54	59.5 Å²	59.5	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-66.8	-43.7	178.5	-63.7	0.9	0	0	0	110.7	M435 I436 C442 Q443 Y540	M435-D439 PolarHBondContact O-N 3.23Å; I436-D439 PolarHBondContact O-N 3.21Å; D439-C442 WeakPolarHBondContact O-CB 3.24Å; D439-C442 PolarHBondContact O-N 2.61Å; D439-Q443 PolarHBondContact O-N 3.39Å; D439-Y540 WeakPolarHBondContact OD1-CE2 3.24Å; D439-Y540 PolarHBondContact OD1-OH 2.98Å
440	D	85.9	Confident	85.5	Confident	71 Å²	71	58.1 Å²	58.1	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-62.7	-41.4	174.1	-72.6	-17.6	0	0	0	111.3	I436 C442 Q443	I436-D440 VanDerWaalsContact O-CB 3.31Å; I436-D440 WeakPolarHBondContact O-CB 3.49Å; I436-D440 PolarHBondContact O-N 3.44Å; D440-C442 VanDerWaalsContact C-N 3.3Å; D440-C442 PolarHBondContact O-N 3.09Å; D440-Q443 WeakPolarHBondContact O-CB 3.35Å; D440-Q443 PolarHBondContact O-N 3.41Å; D440-Q443 VanDerWaalsContact O-N 3.16Å
441	A	85.9	Confident	85	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-39.2	175.2	0	0	0	0	0	111.5	L437 A438 Q443 L444 L456 W461 W539 L569	L437-A441 VanDerWaalsContact O-CB 3.24Å; L437-A441 WeakPolarHBondContact O-CB 3.05Å; L437-A441 PolarHBondContact O-N 3.19Å; A438-A441 PolarHBondContact O-N 3.13Å; A441-Q443 PolarHBondContact O-N 3.29Å; A441-L444 VanDerWaalsContact O-CB 3.22Å; A441-L444 WeakPolarHBondContact O-CB 3.3Å; A441-L444 WeakPolarHBondContact O-CG 3.12Å; A441-L444 PolarHBondContact O-N 3.18Å; A441-L456 HydrophobicContact CB-CD1 3.72Å; A441-W461 VanDerWaalsContact O-CH2 3.3Å; A441-W461 WeakPolarHBondContact O-CH2 3.35Å; A441-W539 HydrophobicContact CB-CH2 3.99Å; A441-W539 HydrophobicContact CB-CZ2 4.44Å; A441-L569 HydrophobicContact CB-CD2 3.63Å
442	C	84.3	Confident	84.4	Confident	18 Å²	18	64 Å²	64	12%	0.122	31%	0.306	C	S	.	.	H	α-helix	trans	-59.5	-28.2	176	-93.1	0	0	0	0	114.1	A438 D439 D440 L444 L445 Y540	A438-C442 PolarHBondContact O-N 3.45Å; D439-C442 WeakPolarHBondContact O-CB 3.24Å; D439-C442 PolarHBondContact O-N 2.61Å; D440-C442 VanDerWaalsContact C-N 3.3Å; D440-C442 PolarHBondContact O-N 3.09Å; C442-L444 PolarHBondContact O-N 3.45Å; C442-L445 WeakPolarHBondContact O-CB 3.44Å; C442-L445 PolarHBondContact O-N 2.78Å; C442-Y540 HydrophobicContact CB-CD2 4.39Å; C442-Y540 HydrophobicContact CB-CE2 4.41Å; C442-Y540 WeakPolarHBondContact SG-CB 3.48Å; C442-Y540 WeakPolarHBondContact SG-CD2 3.47Å
443	Q	84.4	Confident	84	Confident	109 Å²	109	58.3 Å²	58.3	51%	0.509	28%	0.282	S	S	.	.	H	α-helix	trans	-65.2	-22.7	176.4	-59.1	174.9	22.2	0	0	112.2	D439 D440 A441 L445 Q446	D439-Q443 PolarHBondContact O-N 3.39Å; D440-Q443 WeakPolarHBondContact O-CB 3.35Å; D440-Q443 PolarHBondContact O-N 3.41Å; D440-Q443 VanDerWaalsContact O-N 3.16Å; A441-Q443 PolarHBondContact O-N 3.29Å; Q443-L445 PolarHBondContact O-N 2.9Å; Q443-L445 VanDerWaalsContact O-N 3.15Å; Q443-Q446 WeakPolarHBondContact O-CB 3.44Å; Q443-Q446 PolarHBondContact O-N 2.94Å
444	L	83.8	Confident	83.7	Confident	24 Å²	24	58.3 Å²	58.3	13%	0.126	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.6	177.2	-59.9	174.5	0	0	0	113.8	A441 C442 Q446 R449 Y450 D453 L456 W461	A441-L444 VanDerWaalsContact O-CB 3.22Å; A441-L444 WeakPolarHBondContact O-CB 3.3Å; A441-L444 WeakPolarHBondContact O-CG 3.12Å; A441-L444 PolarHBondContact O-N 3.18Å; C442-L444 PolarHBondContact O-N 3.45Å; L444-Q446 PolarHBondContact O-N 3.48Å; L444-R449 HydrophobicContact CD2-CB 4.17Å; L444-R449 PolarHBondContact O-N 3.35Å; L444-R449 VanDerWaalsContact O-N 3.15Å; L444-Y450 PolarHBondContact O-N 3.42Å; L444-D453 HydrophobicContact CD1-CB 4.45Å; L444-L456 HydrophobicContact CD1-CD1 3.93Å; L444-W461 HydrophobicContact CB-CH2 4.26Å
445	L	84.2	Confident	83.5	Confident	49 Å²	49	58.9 Å²	58.9	26%	0.257	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-26.1	170	-177.5	63.5	0	0	0	111.7	C442 Q443 D447 Y450 W461 V463	C442-L445 WeakPolarHBondContact O-CB 3.44Å; C442-L445 PolarHBondContact O-N 2.78Å; Q443-L445 PolarHBondContact O-N 2.9Å; Q443-L445 VanDerWaalsContact O-N 3.15Å; L445-D447 PolarHBondContact O-N 3.37Å; L445-Y450 HydrophobicContact CD1-CE1 4.45Å; L445-W461 HydrophobicContact CB-CE3 4.14Å; L445-W461 HydrophobicContact CB-CZ3 4.04Å; L445-W461 HydrophobicContact CD1-CE3 4.1Å; L445-V463 HydrophobicContact CD1-CG2 4.46Å; L445-V463 HydrophobicContact CD2-CG2 3.79Å
446	Q	79.6	Confident	83.4	Confident	134 Å²	134	56.7 Å²	56.7	63%	0.626	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-68.4	127.7	174	-61.8	179	-2.6	0	0	109.2	Q443 L444 D448 R449	Q443-Q446 WeakPolarHBondContact O-CB 3.44Å; Q443-Q446 PolarHBondContact O-N 2.94Å; L444-Q446 PolarHBondContact O-N 3.48Å; Q446-D448 PolarHBondContact O-N 2.95Å; Q446-R449 WeakPolarHBondContact O-CG 2.98Å
447	D	78.6	Confident	83	Confident	150 Å²	150	56.5 Å²	56.5	80%	0.802	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	59.5	24.2	-179.5	-49.3	-40.6	0	0	0	115.2	L445 R449	L445-D447 PolarHBondContact O-N 3.37Å; D447-R449 HydrophobicContact CB-CG 4.3Å; D447-R449 PolarHBondContact O-N 3.42Å; D447-R449 VanDerWaalsContact O-N 3.1Å
448	D	80.1	Confident	82.7	Confident	74 Å²	74	58.7 Å²	58.7	40%	0.396	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	54.9	25.6	-179.4	-73.1	-33.4	0	0	0	114.7	Q446 Y450 K451	Q446-D448 PolarHBondContact O-N 2.95Å; D448-Y450 HydrophobicContact CB-CE1 4.13Å; D448-Y450 PolarHBondContact O-N 2.9Å; D448-Y450 VanDerWaalsContact OD1-CE1 3.3Å; D448-Y450 WeakPolarHBondContact OD1-CE1 2.98Å; D448-Y450 PolarHBondContact OD1-OH 3.03Å; D448-K451 HydrophobicContact CB-CD 4.14Å; D448-K451 HydrophobicContact CB-CG 4.45Å; D448-K451 WeakPolarHBondContact O-CB 3.09Å; D448-K451 PolarHBondContact O-N 2.99Å; D448-K451 IonicContact OD2-NZ 3.86Å
449	R	80.8	Confident	82.6	Confident	146 Å²	146	60.4 Å²	60.4	55%	0.551	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-59.6	-22	-177.3	-69.1	175.7	63.3	-162.1	-2.6	114.1	L444 Q446 D447 K451 E452	L444-R449 HydrophobicContact CD2-CB 4.17Å; L444-R449 PolarHBondContact O-N 3.35Å; L444-R449 VanDerWaalsContact O-N 3.15Å; Q446-R449 WeakPolarHBondContact O-CG 2.98Å; D447-R449 HydrophobicContact CB-CG 4.3Å; D447-R449 PolarHBondContact O-N 3.42Å; D447-R449 VanDerWaalsContact O-N 3.1Å; R449-K451 PolarHBondContact O-N 3.22Å; R449-E452 PolarHBondContact O-N 2.95Å
450	Y	80.4	Confident	82.3	Confident	36 Å²	36	63 Å²	63	14%	0.141	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-61.8	-23.8	175.3	69.3	-91	0	0	0	113.3	L444 L445 D448 E452 D453 W457 W461	L444-Y450 PolarHBondContact O-N 3.42Å; L445-Y450 HydrophobicContact CD1-CE1 4.45Å; D448-Y450 HydrophobicContact CB-CE1 4.13Å; D448-Y450 PolarHBondContact O-N 2.9Å; D448-Y450 VanDerWaalsContact OD1-CE1 3.3Å; D448-Y450 WeakPolarHBondContact OD1-CE1 2.98Å; D448-Y450 PolarHBondContact OD1-OH 3.03Å; Y450-E452 PolarHBondContact O-N 2.96Å; Y450-D453 PolarHBondContact O-N 3.25Å; Y450-W457 WeakPolarHBondContact O-CA 3.49Å; Y450-W461 VanDerWaalsContact CB-CZ2 3.48Å; Y450-W461 AromaticContact CD1-CD2 3.94Å; Y450-W461 HydrophobicContact CD1-CD2 3.94Å; Y450-W461 HydrophobicContact CD1-CE3 4.24Å; Y450-W461 HydrophobicContact CD1-CG 4.15Å; Y450-W461 AromaticContact CD2-CD1 3.24Å; Y450-W461 HydrophobicContact CD2-CD2 4.01Å; Y450-W461 AromaticContact CD2-CE2 3.73Å; Y450-W461 AromaticContact CD2-CG 3.74Å; Y450-W461 HydrophobicContact CD2-CG 3.74Å; Y450-W461 AromaticContact CD2-NE1 3.24Å; Y450-W461 HydrophobicContact CE1-CB 4.26Å; Y450-W461 HydrophobicContact CE1-CD2 4.35Å; Y450-W461 HydrophobicContact CE1-CG 4.14Å; Y450-W461 HydrophobicContact CE2-CB 4.14Å; Y450-W461 AromaticContact CE2-CD1 3.39Å; Y450-W461 HydrophobicContact CE2-CD2 4.42Å; Y450-W461 AromaticContact CE2-CG 3.74Å; Y450-W461 HydrophobicContact CE2-CG 3.74Å; Y450-W461 AromaticContact CE2-NE1 3.92Å; Y450-W461 AromaticContact CG-CD1 3.83Å; Y450-W461 AromaticContact CG-CD2 3.76Å; Y450-W461 HydrophobicContact CG-CD2 3.76Å; Y450-W461 AromaticContact CG-CE2 3.54Å; Y450-W461 HydrophobicContact CG-CE3 4.4Å; Y450-W461 AromaticContact CG-CG 3.96Å; Y450-W461 HydrophobicContact CG-CG 3.96Å; Y450-W461 HydrophobicContact CG-CZ2 4.01Å; Y450-W461 AromaticContact CG-NE1 3.59Å; Y450-W461 AromaticContact CZ-CG 3.96Å
451	K	80.2	Confident	82.1	Confident	75 Å²	75	60.3 Å²	60.3	33%	0.326	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-64.4	-26.5	176.7	-67.1	-178.8	179.9	175.6	0	112.5	D448 R449 E606	D448-K451 HydrophobicContact CB-CD 4.14Å; D448-K451 HydrophobicContact CB-CG 4.45Å; D448-K451 WeakPolarHBondContact O-CB 3.09Å; D448-K451 PolarHBondContact O-N 2.99Å; D448-K451 IonicContact OD2-NZ 3.86Å; R449-K451 PolarHBondContact O-N 3.22Å; K451-E606 IonicContact NZ-OE1 3.78Å; K451-E606 IonicContact NZ-OE2 2.85Å; K451-E606 PolarHBondContact NZ-OE2 3.41Å
452	E	76.9	Confident	81.8	Confident	143 Å²	143	66.6 Å²	66.6	67%	0.668	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-90	-10.4	177.6	-59.3	-173.2	165.9	0	0	113	R449 Y450	R449-E452 PolarHBondContact O-N 2.95Å; Y450-E452 PolarHBondContact O-N 2.96Å
453	D	82.3	Confident	81.6	Confident	21 Å²	21	68.6 Å²	68.6	11%	0.112	33%	0.33	C	S	.	.			trans	-82.1	122.9	-179.3	-175.4	-70.5	0	0	0	110.8	L444 Y450 W455 L456 W457 R743	L444-D453 HydrophobicContact CD1-CB 4.45Å; Y450-D453 PolarHBondContact O-N 3.25Å; D453-W455 VanDerWaalsContact C-N 3.26Å; D453-W455 PolarHBondContact O-N 3.05Å; D453-W455 WeakPolarHBondContact OD1-CA 3.36Å; D453-W455 PolarHBondContact OD1-N 2.85Å; D453-L456 HydrophobicContact CB-CB 4.41Å; D453-L456 PolarHBondContact OD1-N 2.91Å; D453-W457 WeakPolarHBondContact O-CB 3.44Å; D453-W457 PolarHBondContact O-N 2.97Å; D453-R743 IonicContact OD1-NH2 2.84Å; D453-R743 IonicContact OD2-CZ 2.72Å; D453-R743 IonicContact OD2-NH2 3.64Å; D453-R743 PolarHBondContact OD2-NH2 3.02Å
454	P	81.8	Confident	81.1	Confident	7 Å²	7	66.9 Å²	66.9	5%	0.045	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.2	-172.3	27.5	-30.5	0	0	0	114.8	W457 P610 V613 I614 I617	P454-W457 PolarHBondContact O-NE1 3.19Å; P454-P610 HydrophobicContact CB-CG 4.1Å; P454-V613 HydrophobicContact CG-CG1 4.28Å; P454-I614 HydrophobicContact CB-CD1 4.25Å; P454-I614 HydrophobicContact CB-CG1 3.7Å; P454-I617 HydrophobicContact CG-CD1 3.58Å
455	W	85.9	Confident	80.1	Confident	13 Å²	13	73.2 Å²	73.2	5%	0.049	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-29.3	177.5	-65.1	-88.4	0	0	0	113.9	D453 K568 G571 L572 T573 P578 I617	D453-W455 VanDerWaalsContact C-N 3.26Å; D453-W455 PolarHBondContact O-N 3.05Å; D453-W455 WeakPolarHBondContact OD1-CA 3.36Å; D453-W455 PolarHBondContact OD1-N 2.85Å; W455-K568 HydrophobicContact CB-CB 4.26Å; W455-K568 WeakPolarHBondContact CB-O 3.32Å; W455-K568 WeakPolarHBondContact O-CD 3.46Å; W455-G571 WeakPolarHBondContact CZ2-O 3.44Å; W455-L572 PolarHBondContact NE1-O 2.73Å; W455-T573 HydrophobicContact CH2-CG2 4.38Å; W455-T573 HydrophobicContact CZ2-CG2 3.61Å; W455-P578 HydrophobicContact CD2-CB 4.3Å; W455-P578 HydrophobicContact CZ2-CB 3.73Å; W455-I617 HydrophobicContact CH2-CD1 3.97Å; W455-I617 HydrophobicContact CZ3-CD1 4.18Å
456	L	85.8	Confident	79.2	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-5.2	-169.5	-55.7	179.4	0	0	0	114.9	A441 L444 D453 D458 L459 W461 K568 L569 R743	A441-L456 HydrophobicContact CB-CD1 3.72Å; L444-L456 HydrophobicContact CD1-CD1 3.93Å; D453-L456 HydrophobicContact CB-CB 4.41Å; D453-L456 PolarHBondContact OD1-N 2.91Å; L456-D458 PolarHBondContact O-N 3.45Å; L456-L459 HydrophobicContact CB-CD1 4.09Å; L456-L459 HydrophobicContact CD2-CD1 3.57Å; L456-L459 HydrophobicContact CG-CD1 4.41Å; L456-L459 PolarHBondContact O-N 3.28Å; L456-W461 HydrophobicContact CB-CZ2 4.17Å; L456-W461 PolarHBondContact O-NE1 3.39Å; L456-K568 HydrophobicContact CD2-CB 4.04Å; L456-L569 HydrophobicContact CD1-CD2 4.42Å; L456-L569 HydrophobicContact CD2-CD2 4Å; L456-R743 VanDerWaalsContact CD1-NH2 3.26Å
457	W	81.6	Confident	78.3	Confident	52 Å²	52	76.7 Å²	76.7	20%	0.197	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-30.1	-178.9	65.8	-89	0	0	0	113.9	Y450 D453 P454 L608 C609 I704	Y450-W457 WeakPolarHBondContact O-CA 3.49Å; D453-W457 WeakPolarHBondContact O-CB 3.44Å; D453-W457 PolarHBondContact O-N 2.97Å; P454-W457 PolarHBondContact O-NE1 3.19Å; W457-L608 VanDerWaalsContact CZ3-O 3.25Å; W457-L608 WeakPolarHBondContact CZ3-O 3.18Å; W457-C609 HydrophobicContact CH2-CB 4.21Å; W457-C609 HydrophobicContact CZ2-CB 4.18Å; W457-I704 HydrophobicContact CZ2-CG2 4.44Å
458	D	81.1	Confident	77.4	Confident	56 Å²	56	75.5 Å²	75.5	30%	0.299	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	9.6	-174.4	71.8	-26.2	0	0	0	114.2	L456 K568 H580	L456-D458 PolarHBondContact O-N 3.45Å; D458-K568 IonicContact OD1-NZ 3.97Å; D458-K568 PolarHBondContact OD1-NZ 3.32Å; D458-K568 IonicContact OD2-NZ 3.62Å; D458-K568 PolarHBondContact OD2-NZ 3.42Å; D458-H580 IonicContact OD2-CE1 3.25Å; D458-H580 PolarHBondContact OD2-CE1 3.4Å; D458-H580 IonicContact OD2-ND1 2.73Å
459	L	83.9	Confident	76.2	Confident	36 Å²	36	77.2 Å²	77.2	19%	0.188	36%	0.356	C	S	.	.	S	Bend	trans	-88.1	160.9	-179.3	-60.8	179.6	0	0	0	113.3	L456 W461 L565 K568	L456-L459 HydrophobicContact CB-CD1 4.09Å; L456-L459 HydrophobicContact CD2-CD1 3.57Å; L456-L459 HydrophobicContact CG-CD1 4.41Å; L456-L459 PolarHBondContact O-N 3.28Å; L459-W461 PolarHBondContact O-N 3.44Å; L459-W461 VanDerWaalsContact O-N 3.09Å; L459-L565 HydrophobicContact CD1-CD1 3.44Å; L459-L565 VanDerWaalsContact CD1-CD1 3.44Å; L459-L565 HydrophobicContact CD2-CD1 3.9Å; L459-L565 HydrophobicContact CG-CD1 4.35Å; L459-K568 HydrophobicContact CD2-CD 4.38Å
460	E	80.9	Confident	74.9	Confident	108 Å²	108	79.7 Å²	79.7	51%	0.505	37%	0.37	S	S	.	.			trans	-75.3	90.7	176.1	-65.5	174.4	173.4	0	0	111.7	D462 A538 W539 K542	E460-D462 VanDerWaalsContact C-N 3.34Å; E460-A538 HydrophobicContact CB-CB 4.36Å; E460-W539 VanDerWaalsContact O-CD1 3.27Å; E460-K542 IonicContact OE2-NZ 2.74Å; E460-K542 PolarHBondContact OE2-NZ 3.47Å
461	W	81.9	Confident	73.3	Confident	15 Å²	15	83.8 Å²	83.8	6%	0.057	40%	0.399	C	S	.	.			trans	-85	1.7	-179.8	-70.2	94.6	0	0	0	115.1	A441 L444 L445 Y450 L456 L459 V463 P537 W539	A441-W461 VanDerWaalsContact O-CH2 3.3Å; A441-W461 WeakPolarHBondContact O-CH2 3.35Å; L444-W461 HydrophobicContact CB-CH2 4.26Å; L445-W461 HydrophobicContact CB-CE3 4.14Å; L445-W461 HydrophobicContact CB-CZ3 4.04Å; L445-W461 HydrophobicContact CD1-CE3 4.1Å; Y450-W461 VanDerWaalsContact CB-CZ2 3.48Å; Y450-W461 AromaticContact CD1-CD2 3.94Å; Y450-W461 HydrophobicContact CD1-CD2 3.94Å; Y450-W461 HydrophobicContact CD1-CE3 4.24Å; Y450-W461 HydrophobicContact CD1-CG 4.15Å; Y450-W461 AromaticContact CD2-CD1 3.24Å; Y450-W461 HydrophobicContact CD2-CD2 4.01Å; Y450-W461 AromaticContact CD2-CE2 3.73Å; Y450-W461 AromaticContact CD2-CG 3.74Å; Y450-W461 HydrophobicContact CD2-CG 3.74Å; Y450-W461 AromaticContact CD2-NE1 3.24Å; Y450-W461 HydrophobicContact CE1-CB 4.26Å; Y450-W461 HydrophobicContact CE1-CD2 4.35Å; Y450-W461 HydrophobicContact CE1-CG 4.14Å; Y450-W461 HydrophobicContact CE2-CB 4.14Å; Y450-W461 AromaticContact CE2-CD1 3.39Å; Y450-W461 HydrophobicContact CE2-CD2 4.42Å; Y450-W461 AromaticContact CE2-CG 3.74Å; Y450-W461 HydrophobicContact CE2-CG 3.74Å; Y450-W461 AromaticContact CE2-NE1 3.92Å; Y450-W461 AromaticContact CG-CD1 3.83Å; Y450-W461 AromaticContact CG-CD2 3.76Å; Y450-W461 HydrophobicContact CG-CD2 3.76Å; Y450-W461 AromaticContact CG-CE2 3.54Å; Y450-W461 HydrophobicContact CG-CE3 4.4Å; Y450-W461 AromaticContact CG-CG 3.96Å; Y450-W461 HydrophobicContact CG-CG 3.96Å; Y450-W461 HydrophobicContact CG-CZ2 4.01Å; Y450-W461 AromaticContact CG-NE1 3.59Å; Y450-W461 AromaticContact CZ-CG 3.96Å; L456-W461 HydrophobicContact CB-CZ2 4.17Å; L456-W461 PolarHBondContact O-NE1 3.39Å; L459-W461 PolarHBondContact O-N 3.44Å; L459-W461 VanDerWaalsContact O-N 3.09Å; W461-V463 PolarHBondContact O-N 2.87Å; W461-P537 HydrophobicContact CE3-CB 3.93Å; W461-P537 HydrophobicContact CE3-CG 3.89Å; W461-P537 HydrophobicContact CZ3-CG 4.01Å; W461-W539 AromaticContact CD2-NE1 3.74Å; W461-W539 AromaticContact CE2-NE1 3.75Å; W461-W539 AromaticContact CE3-NE1 3.78Å; W461-W539 AromaticContact CH2-CZ2 3.6Å; W461-W539 HydrophobicContact CH2-CZ2 3.6Å; W461-W539 AromaticContact CH2-NE1 3.91Å; W461-W539 HydrophobicContact CZ2-CZ2 4.12Å; W461-W539 AromaticContact CZ2-NE1 3.85Å; W461-W539 AromaticContact CZ3-CZ2 3.89Å; W461-W539 HydrophobicContact CZ3-CZ2 3.89Å; W461-W539 AromaticContact CZ3-NE1 3.88Å
462	D	79.6	Confident	71.5	Confident	132 Å²	132	84.7 Å²	84.7	71%	0.706	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-58.9	129.3	179.8	-66.8	-35.2	0	0	0	113	E460 A538	E460-D462 VanDerWaalsContact C-N 3.34Å; D462-A538 PolarHBondContact O-N 2.95Å
463	V	80.6	Confident	69.7	Low	61 Å²	61	82.1 Å²	82.1	37%	0.37	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-98.4	138.5	-179.6	179.4	0	0	0	0	110.6	L445 W461 E465 G535	L445-V463 HydrophobicContact CD1-CG2 4.46Å; L445-V463 HydrophobicContact CD2-CG2 3.79Å; W461-V463 PolarHBondContact O-N 2.87Å; V463-E465 PolarHBondContact O-N 2.79Å; V463-G535 VanDerWaalsContact CG1-C 3.46Å
464	Q	73.9	Confident	67.8	Low	73 Å²	73	86.8 Å²	86.8	34%	0.341	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-72.7	120	173.6	-179.2	172.1	25.3	0	0	111.3
465	E	63	Low	65.7	Low	157 Å²	157	96 Å²	96	73%	0.734	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-63.8	137.2	172.3	-66.8	-175.9	166.2	0	0	112.6	V463 K467 Q531	V463-E465 PolarHBondContact O-N 2.79Å; E465-K467 PolarHBondContact O-N 2.93Å; E465-Q531 PolarHBondContact O-NE2 3.39Å
466	F	64.3	Low	63.2	Low	110 Å²	110	105 Å²	105	48%	0.482	54%	0.536	S	S	.	.			trans	-73.4	110.6	-179.9	-160.4	-98.7	0	0	0	110.8	Q468 P527 P534	F466-Q468 HydrophobicContact CD1-CG 4.16Å; F466-Q468 HydrophobicContact CE1-CG 4.4Å; F466-Q468 PolarHBondContact O-N 3.05Å; F466-P527 HydrophobicContact CE1-CG 3.98Å; F466-P527 HydrophobicContact CE2-CG 4.26Å; F466-P527 HydrophobicContact CZ-CB 4.36Å; F466-P527 HydrophobicContact CZ-CG 3.49Å; F466-P527 VanDerWaalsContact CZ-CG 3.49Å; F466-P534 HydrophobicContact CD2-CB 3.81Å; F466-P534 HydrophobicContact CD2-CG 3.81Å; F466-P534 HydrophobicContact CE2-CB 4.42Å; F466-P534 HydrophobicContact CE2-CG 3.91Å
467	K	61.5	Low	60.7	Low	146 Å²	146	114.1 Å²	114.1	64%	0.635	58%	0.576	S	S	*	*			trans	-95.5	100.8	-177.2	-70.2	-175.2	-179.3	178.1	0	111.2	E465	E465-K467 PolarHBondContact O-N 2.93Å
468	Q	59	Low	58.2	Low	124 Å²	124	119.7 Å²	119.7	58%	0.579	61%	0.61	S	S	*	*	B	Isolated β-bridge	trans	-67.3	155.8	173.5	-67.8	179.4	-12.6	0	0	112.1	F466 K470	F466-Q468 HydrophobicContact CD1-CG 4.16Å; F466-Q468 HydrophobicContact CE1-CG 4.4Å; F466-Q468 PolarHBondContact O-N 3.05Å; Q468-K470 PolarHBondContact O-N 3.1Å; Q468-K470 VanDerWaalsContact O-N 3.08Å
469	K	55.6	Low	55.8	Low	111 Å²	111	121.2 Å²	121.2	48%	0.483	63%	0.625	S	S	.	*			trans	-67.7	106.5	177.1	-154.5	176.8	-173.1	-179.1	0	108.7	V471 L526 K528	K469-V471 PolarHBondContact O-N 3.09Å; K469-L526 WeakPolarHBondContact CB-O 3.4Å; K469-L526 PolarHBondContact N-O 3.38Å; K469-K528 HydrophobicContact CG-CB 4.5Å
470	K	53.3	Low	53.2	Low	198 Å²	198	128.1 Å²	128.1	86%	0.861	65%	0.653	S	S	*	*			trans	-55	128.4	174.9	-79.1	-170.8	176.2	-175.5	0	109.5	Q468 A472	Q468-K470 PolarHBondContact O-N 3.1Å; Q468-K470 VanDerWaalsContact O-N 3.08Å; K470-A472 PolarHBondContact O-N 3.37Å
471	V	46.7	Very low	50.7	Low	121 Å²	121	130.2 Å²	130.2	73%	0.733	67%	0.668	S	S	*	*			trans	-55.7	123.9	168.7	-178.7	0	0	0	0	107.3	K469 A473	K469-V471 PolarHBondContact O-N 3.09Å; V471-A473 PolarHBondContact O-N 3.31Å
472	A	43.1	Very low	48	Very low	94 Å²	94	133.7 Å²	133.7	78%	0.777	70%	0.7	S	S	*	*			trans	-65	102.2	175.7	0	0	0	0	0	108.1	K470 S474	K470-A472 PolarHBondContact O-N 3.37Å; A472-S474 PolarHBondContact O-N 3.32Å
473	A	38.6	Very low	45.6	Very low	89 Å²	89	131.8 Å²	131.8	74%	0.736	70%	0.703	S	S	*	*			trans	-61.4	109.4	167.8	0	0	0	0	0	107.5	V471 K475	V471-A473 PolarHBondContact O-N 3.31Å; A473-K475 PolarHBondContact O-N 3.47Å
474	S	41.1	Very low	43.2	Very low	120 Å²	120	135 Å²	135	84%	0.839	72%	0.722	S	S	*	*			trans	-49.3	99.2	170.8	167.1	0	0	0	0	109.3	A472 K476	A472-S474 PolarHBondContact O-N 3.32Å; S474-K476 PolarHBondContact O-N 3.36Å
475	K	37.9	Very low	41	Very low	199 Å²	199	136.6 Å²	136.6	87%	0.865	75%	0.748	S	S	*	*			trans	-80.3	113	169	-96.2	-173.7	175.8	-178.6	0	107.7	A473 K477	A473-K475 PolarHBondContact O-N 3.47Å; K475-K477 PolarHBondContact O-N 2.62Å
476	K	34.4	Very low	39.4	Very low	202 Å²	202	138.1 Å²	138.1	88%	0.878	75%	0.752	S	S	*	*			trans	-34.3	121.1	165.3	-112.2	171.4	175.1	174.6	0	111.1	S474 N478	S474-K476 PolarHBondContact O-N 3.36Å; K476-N478 PolarHBondContact O-N 3.16Å
477	K	32.6	Very low	37.5	Very low	193 Å²	193	139.3 Å²	139.3	84%	0.839	77%	0.769	S	S	*	*			trans	-48.9	118.3	172.3	-159.7	176	-170.6	176.4	0	110.3	K475	K475-K477 PolarHBondContact O-N 2.62Å
478	N	28.7	Very low	36	Very low	168 Å²	168	137 Å²	137	90%	0.898	77%	0.77	S	S	*	*			trans	-116.9	108.7	152	-118.4	4	0	0	0	107.2	K476	K476-N478 PolarHBondContact O-N 3.16Å
479	S	31	Very low	34.4	Very low	88 Å²	88	137 Å²	137	62%	0.615	78%	0.78	S	S	*	*			trans	-76.8	141.1	179.3	47.1	0	0	0	0	110.5
480	K	29.5	Very low	33.2	Very low	181 Å²	181	138.9 Å²	138.9	79%	0.787	79%	0.794	S	S	*	*				175	140.9	114.6	-95.4	174.3	-176.8	-177.8	0	112.2
481	N	28.1	Very low	31.9	Very low	152 Å²	152	137.4 Å²	137.4	81%	0.813	79%	0.794	S	S	*	*			trans	83.5	129.1	158	-57	-9.1	0	0	0	116.3
482	A	26.7	Very low	31.7	Very low	88 Å²	88	136.7 Å²	136.7	73%	0.727	79%	0.792	S	S	*	*			cis	-162.1	134	1.6	0	0	0	0	0	106.3
483	A	28.6	Very low	31	Very low	93 Å²	93	138.1 Å²	138.1	77%	0.769	79%	0.787	S	S	*	*				62.2	138.3	97	0	0	0	0	0	113.6
484	V	29.8	Very low	30.6	Very low	127 Å²	127	144.1 Å²	144.1	77%	0.77	79%	0.791	S	S	*	*			cis	-171.9	139.3	-0.1	136.9	0	0	0	0	103
485	A	26.9	Very low	30.4	Very low	107 Å²	107	147.1 Å²	147.1	88%	0.884	79%	0.791	S	S	*	*			trans	-145.2	111	146.9	0	0	0	0	0	107.5
486	K	30.1	Very low	30.2	Very low	190 Å²	190	145.6 Å²	145.6	83%	0.826	79%	0.793	S	S	*	*			trans	-118.2	136.8	174.3	-98.9	-174.6	174.3	-176.5	0	107.2
487	T	24.1	Very low	30.3	Very low	135 Å²	135	142.9 Å²	142.9	83%	0.828	79%	0.788	S	S	*	*			trans	-169.4	92.7	140.9	-14.2	0	0	0	0	106.7
488	S	30	Very low	31	Very low	96 Å²	96	139.2 Å²	139.2	67%	0.671	78%	0.784	S	S	*	*				71.2	128.6	95.5	64.6	0	0	0	0	114.5
489	T	26.2	Very low	31.9	Very low	126 Å²	126	133.9 Å²	133.9	77%	0.773	77%	0.769	S	S	*	*				-165.6	115.4	72.6	-36.7	0	0	0	0	109.4
490	L	29.6	Very low	32.5	Very low	149 Å²	149	135.6 Å²	135.6	78%	0.78	78%	0.778	S	S	*	*				51.5	127	102.7	-68.5	164.2	0	0	0	115.9
491	L	27.6	Very low	33.3	Very low	167 Å²	167	130.6 Å²	130.6	87%	0.874	76%	0.764	S	S	*	*				-152.3	163.2	67.1	-80.8	161.2	0	0	0	114.2
492	P	41.9	Very low	34.5	Very low	106 Å²	106	127 Å²	127	69%	0.688	75%	0.751	S	S	*	*			trans	-103.8	164.3	-178.5	36.1	-23.7	0	0	0	114
493	D	27.3	Very low	35.5	Very low	125 Å²	125	131.3 Å²	131.3	67%	0.668	76%	0.756	S	S	*	*			trans	133.4	146.3	138.8	-143.4	13.3	0	0	0	114.7
494	W	31	Very low	36.6	Very low	215 Å²	215	133.4 Å²	133.4	81%	0.814	75%	0.75	S	S	*	*			trans	94.8	120.4	168.2	-51.5	96.2	0	0	0	120.5
495	E	36.7	Very low	37.6	Very low	182 Å²	182	134.4 Å²	134.4	85%	0.85	75%	0.746	S	S	*	*			trans	-56.1	125.2	164.1	-61	175.1	143.5	0	0	110.4
496	D	33.9	Very low	38.5	Very low	167 Å²	167	136.3 Å²	136.3	89%	0.893	74%	0.738	S	S	*	*			trans	-106.8	109.8	157.4	-89.1	-35	0	0	0	108.3
497	D	36	Very low	39.4	Very low	145 Å²	145	130.4 Å²	130.4	78%	0.775	73%	0.725	S	S	*	*			trans	-25.6	130.2	163.7	-166.7	22	0	0	0	113.2	G499	D497-G499 PolarHBondContact O-N 3.35Å
498	P	48.1	Very low	40.9	Very low	116 Å²	116	126.9 Å²	126.9	75%	0.753	72%	0.716	S	S	*	*			trans	-67.3	108.6	-177.4	28.3	-32.8	0	0	0	109
499	G	46.5	Very low	41.8	Very low	57 Å²	57	127.7 Å²	127.7	59%	0.588	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-52.3	158	169	0	0	0	0	0	111.4	D497	D497-G499 PolarHBondContact O-N 3.35Å
500	P	43.9	Very low	43	Very low	124 Å²	124	125 Å²	125	81%	0.805	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-56.4	142.3	-172.8	6.1	-5.6	0	0	0	110.7	S502	P500-S502 PolarHBondContact O-N 3.29Å
501	P	47.1	Very low	44.4	Very low	75 Å²	75	122.6 Å²	122.6	49%	0.487	70%	0.7	S	S	.	*	P	Polyproline II helix	trans	-56.1	124.8	-176.3	21.6	-31.1	0	0	0	109.7	E505 M506	P501-E505 HydrophobicContact CB-CB 4.38Å; P501-M506 HydrophobicContact CG-CE 4.35Å
502	S	52.6	Low	45.8	Very low	77 Å²	77	117.7 Å²	117.7	54%	0.538	68%	0.679	S	S	.	*	P	Polyproline II helix	trans	-58.1	148.6	175.7	64	0	0	0	0	110.2	P500 E504 E505	P500-S502 PolarHBondContact O-N 3.29Å; S502-E504 PolarHBondContact O-N 3.12Å; S502-E505 PolarHBondContact O-N 2.81Å
503	E	47.5	Very low	46.6	Very low	178 Å²	178	120.1 Å²	120.1	83%	0.832	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	-9.5	-174.1	-67.3	-177	150.6	0	0	115.2
504	E	52.5	Low	48.3	Very low	138 Å²	138	118.5 Å²	118.5	65%	0.645	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-16.8	173	-62.6	-169.7	177.4	0	0	115.1	S502 R513	S502-E504 PolarHBondContact O-N 3.12Å; E504-R513 IonicContact OE2-NH2 3.95Å
505	E	50.6	Low	50	Low	147 Å²	147	110.3 Å²	110.3	69%	0.687	64%	0.644	S	S	*	*	S	Bend	trans	-97.1	-7.3	175.1	-72.3	-174.4	160.5	0	0	113.4	P501 S502	P501-E505 HydrophobicContact CB-CB 4.38Å; S502-E505 PolarHBondContact O-N 2.81Å
506	M	46	Very low	51.6	Low	148 Å²	148	105 Å²	105	73%	0.729	62%	0.623	S	S	*	*	S	Bend	trans	-95.2	7.3	172.7	-91.9	-171	-86.5	0	0	114.2	P501	P501-M506 HydrophobicContact CG-CE 4.35Å
507	A	48.3	Very low	53	Low	66 Å²	66	102.6 Å²	102.6	55%	0.545	61%	0.607	S	S	.	*	S	Bend	trans	-104.9	114	161.1	0	0	0	0	0	108.1
508	G	55.2	Low	54.4	Low	61 Å²	61	102.7 Å²	102.7	63%	0.629	60%	0.6	S	S	*	*			trans	-46.7	158.3	178.5	0	0	0	0	0	113	C510	G508-C510 PolarHBondContact O-N 2.94Å
509	P	49.1	Very low	55.3	Low	112 Å²	112	102.3 Å²	102.3	73%	0.727	59%	0.592	S	S	*	*			trans	-46.6	104.2	-159.5	20.8	-33	0	0	0	110.8	S511 L514	P509-S511 PolarHBondContact O-N 3.02Å; P509-S511 VanDerWaalsContact O-N 3.1Å; P509-L514 HydrophobicContact CB-CD1 3.99Å
510	C	51.5	Low	56.3	Low	70 Å²	70	106.3 Å²	106.3	47%	0.473	59%	0.593	S	S	.	*			trans	-57.9	123.3	-174.3	-160.4	0	0	0	0	107.6	G508 S512 R513 L514	G508-C510 PolarHBondContact O-N 2.94Å; C510-S512 PolarHBondContact O-N 3.2Å; C510-S512 PolarHBondContact SG-OG 3.11Å; C510-R513 PolarHBondContact O-N 2.91Å; C510-L514 PolarHBondContact O-N 3.12Å
511	S	58.6	Low	57.1	Low	99 Å²	99	107.2 Å²	107.2	69%	0.692	59%	0.586	S	S	*	*	H	α-helix	trans	-52.8	-27.7	-177.8	62.1	0	0	0	0	111.9	P509 A515	P509-S511 PolarHBondContact O-N 3.02Å; P509-S511 VanDerWaalsContact O-N 3.1Å; S511-A515 WeakPolarHBondContact O-CB 3.5Å; S511-A515 PolarHBondContact O-N 3.24Å
512	S	57.6	Low	57.9	Low	63 Å²	63	106.3 Å²	106.3	44%	0.441	58%	0.579	S	S	.	*	H	α-helix	trans	-66	-38.9	174.3	64.1	0	0	0	0	113.9	C510 A515 V516	C510-S512 PolarHBondContact O-N 3.2Å; C510-S512 PolarHBondContact SG-OG 3.11Å; S512-A515 PolarHBondContact O-N 3.1Å; S512-V516 WeakPolarHBondContact O-CB 3.46Å; S512-V516 WeakPolarHBondContact O-CG2 3.29Å; S512-V516 PolarHBondContact O-N 3.34Å
513	R	59.8	Low	58.4	Low	157 Å²	157	105.7 Å²	105.7	59%	0.592	57%	0.572	S	S	*	*	H	α-helix	trans	-71.1	-43.3	176.3	-93.3	-174	175.3	167.9	3.7	111.4	E504 C510 A515 V516 E517	E504-R513 IonicContact OE2-NH2 3.95Å; C510-R513 PolarHBondContact O-N 2.91Å; R513-A515 VanDerWaalsContact C-N 3.31Å; R513-A515 PolarHBondContact O-N 3.25Å; R513-V516 PolarHBondContact O-N 3.43Å; R513-E517 PolarHBondContact O-N 2.94Å
514	L	61.3	Low	58.9	Low	91 Å²	91	99.8 Å²	99.8	48%	0.476	55%	0.55	S	S	.	*	H	α-helix	trans	-63	-36.8	171.5	-86.2	162.3	0	0	0	112.1	P509 C510 E517 K518	P509-L514 HydrophobicContact CB-CD1 3.99Å; C510-L514 PolarHBondContact O-N 3.12Å; L514-E517 PolarHBondContact O-N 3.25Å; L514-K518 WeakPolarHBondContact O-CB 3.33Å; L514-K518 PolarHBondContact O-N 3.5Å
515	A	66.3	Low	59.2	Low	43 Å²	43	101.7 Å²	101.7	36%	0.355	55%	0.552	S	S	.	*	H	α-helix	trans	-68.1	-38.8	173.4	0	0	0	0	0	111.9	S511 S512 R513 K518 L519	S511-A515 WeakPolarHBondContact O-CB 3.5Å; S511-A515 PolarHBondContact O-N 3.24Å; S512-A515 PolarHBondContact O-N 3.1Å; R513-A515 VanDerWaalsContact C-N 3.31Å; R513-A515 PolarHBondContact O-N 3.25Å; A515-K518 PolarHBondContact O-N 2.92Å; A515-L519 VanDerWaalsContact O-CB 3.29Å; A515-L519 WeakPolarHBondContact O-CB 3.38Å; A515-L519 WeakPolarHBondContact O-CD1 3.48Å; A515-L519 WeakPolarHBondContact O-CG 3.24Å; A515-L519 PolarHBondContact O-N 3.46Å
516	V	70.7	Confident	59.6	Low	70 Å²	70	99.4 Å²	99.4	42%	0.424	54%	0.544	S	S	.	.	H	α-helix	trans	-67.7	-37.4	174.6	167.6	0	0	0	0	111.2	S512 R513 L519 K520	S512-V516 WeakPolarHBondContact O-CB 3.46Å; S512-V516 WeakPolarHBondContact O-CG2 3.29Å; S512-V516 PolarHBondContact O-N 3.34Å; R513-V516 PolarHBondContact O-N 3.43Å; V516-L519 CarbonylContact O-C 3.6Å; V516-L519 PolarHBondContact O-N 2.68Å; V516-K520 HydrophobicContact CG1-CD 4.32Å; V516-K520 WeakPolarHBondContact O-CB 3.31Å; V516-K520 VanDerWaalsContact O-CG 3.26Å; V516-K520 WeakPolarHBondContact O-CG 3.46Å; V516-K520 PolarHBondContact O-N 3.26Å
517	E	63.2	Low	60.3	Low	117 Å²	117	94.7 Å²	94.7	55%	0.547	52%	0.524	S	S	.	.	H	α-helix	trans	-67.6	-44.4	172.5	-75.1	-174.2	160.6	0	0	111.9	R513 L514 L519 K520 E521	R513-E517 PolarHBondContact O-N 2.94Å; L514-E517 PolarHBondContact O-N 3.25Å; E517-L519 VanDerWaalsContact C-N 3.27Å; E517-L519 PolarHBondContact O-N 3.05Å; E517-K520 WeakPolarHBondContact O-CB 3.38Å; E517-K520 PolarHBondContact O-N 2.8Å; E517-K520 VanDerWaalsContact O-N 3.11Å; E517-E521 WeakPolarHBondContact O-CG 3.33Å; E517-E521 PolarHBondContact O-N 2.82Å
518	K	66.2	Low	60.8	Low	147 Å²	147	99.5 Å²	99.5	64%	0.639	53%	0.533	S	S	*	.	H	α-helix	trans	-57.4	-38.8	168.8	-83.9	-179	174.6	177.6	0	112.4	L514 A515 E521 T522	L514-K518 WeakPolarHBondContact O-CB 3.33Å; L514-K518 PolarHBondContact O-N 3.5Å; A515-K518 PolarHBondContact O-N 2.92Å; K518-E521 WeakPolarHBondContact O-CB 3.49Å; K518-E521 PolarHBondContact O-N 3Å; K518-T522 PolarHBondContact O-N 2.81Å
519	L	67.6	Low	61.1	Low	109 Å²	109	106.8 Å²	106.8	57%	0.571	54%	0.541	S	S	*	.	H	α-helix	trans	-69.1	-38.7	175.5	-78.3	163.3	0	0	0	111.5	A515 V516 E517 E521 T522 V523	A515-L519 VanDerWaalsContact O-CB 3.29Å; A515-L519 WeakPolarHBondContact O-CB 3.38Å; A515-L519 WeakPolarHBondContact O-CD1 3.48Å; A515-L519 WeakPolarHBondContact O-CG 3.24Å; A515-L519 PolarHBondContact O-N 3.46Å; V516-L519 CarbonylContact O-C 3.6Å; V516-L519 PolarHBondContact O-N 2.68Å; E517-L519 VanDerWaalsContact C-N 3.27Å; E517-L519 PolarHBondContact O-N 3.05Å; L519-E521 VanDerWaalsContact C-N 3.29Å; L519-E521 PolarHBondContact O-N 2.91Å; L519-T522 WeakPolarHBondContact CA-OG1 3.37Å; L519-T522 CarbonylContact O-C 3.57Å; L519-T522 WeakPolarHBondContact O-CA 3.37Å; L519-T522 PolarHBondContact O-N 2.82Å; L519-T522 PolarHBondContact O-OG1 2.99Å; L519-V523 PolarHBondContact O-N 2.62Å
520	K	66.2	Low	61.7	Low	141 Å²	141	113.3 Å²	113.3	61%	0.613	55%	0.552	S	S	*	*	H	α-helix	trans	-62.4	-35.9	173.1	-76.9	172.7	179.8	178.6	0	111.5	V516 E517 T522 V523	V516-K520 HydrophobicContact CG1-CD 4.32Å; V516-K520 WeakPolarHBondContact O-CB 3.31Å; V516-K520 VanDerWaalsContact O-CG 3.26Å; V516-K520 WeakPolarHBondContact O-CG 3.46Å; V516-K520 PolarHBondContact O-N 3.26Å; E517-K520 WeakPolarHBondContact O-CB 3.38Å; E517-K520 PolarHBondContact O-N 2.8Å; E517-K520 VanDerWaalsContact O-N 3.11Å; K520-T522 VanDerWaalsContact C-N 3.3Å; K520-T522 PolarHBondContact O-N 3.32Å; K520-V523 VanDerWaalsContact O-CB 3.26Å; K520-V523 WeakPolarHBondContact O-CB 3.38Å; K520-V523 WeakPolarHBondContact O-CG2 3.25Å; K520-V523 PolarHBondContact O-N 2.92Å
521	E	61	Low	62.5	Low	143 Å²	143	111.9 Å²	111.9	67%	0.668	54%	0.538	S	S	*	.	H	α-helix	trans	-63.3	-35.9	170.8	-68.6	177	170.3	0	0	112	E517 K518 L519 V523 S524	E517-E521 WeakPolarHBondContact O-CG 3.33Å; E517-E521 PolarHBondContact O-N 2.82Å; K518-E521 WeakPolarHBondContact O-CB 3.49Å; K518-E521 PolarHBondContact O-N 3Å; L519-E521 VanDerWaalsContact C-N 3.29Å; L519-E521 PolarHBondContact O-N 2.91Å; E521-V523 VanDerWaalsContact C-N 3.28Å; E521-V523 PolarHBondContact O-N 3.12Å; E521-S524 PolarHBondContact O-OG 3.41Å
522	T	64.6	Low	63	Low	56 Å²	56	109.1 Å²	109.1	34%	0.344	51%	0.514	S	S	.	.	H	α-helix	trans	-73.5	-8.9	175	63.4	0	0	0	0	114.9	K518 L519 K520 S524 R525	K518-T522 PolarHBondContact O-N 2.81Å; L519-T522 WeakPolarHBondContact CA-OG1 3.37Å; L519-T522 CarbonylContact O-C 3.57Å; L519-T522 WeakPolarHBondContact O-CA 3.37Å; L519-T522 PolarHBondContact O-N 2.82Å; L519-T522 PolarHBondContact O-OG1 2.99Å; K520-T522 VanDerWaalsContact C-N 3.3Å; K520-T522 PolarHBondContact O-N 3.32Å; T522-S524 PolarHBondContact O-N 3.14Å; T522-R525 WeakPolarHBondContact O-CA 3.35Å; T522-R525 VanDerWaalsContact O-CB 3.28Å; T522-R525 WeakPolarHBondContact O-CB 3.39Å; T522-R525 PolarHBondContact O-N 2.93Å
523	V	63.2	Low	63.6	Low	64 Å²	64	108 Å²	108	39%	0.388	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-61	-28.2	174.8	172.4	0	0	0	0	111.9	L519 K520 E521 R525 L526	L519-V523 PolarHBondContact O-N 2.62Å; K520-V523 VanDerWaalsContact O-CB 3.26Å; K520-V523 WeakPolarHBondContact O-CB 3.38Å; K520-V523 WeakPolarHBondContact O-CG2 3.25Å; K520-V523 PolarHBondContact O-N 2.92Å; E521-V523 VanDerWaalsContact C-N 3.28Å; E521-V523 PolarHBondContact O-N 3.12Å; V523-R525 PolarHBondContact O-N 2.9Å; V523-L526 HydrophobicContact CB-CD1 4.42Å; V523-L526 HydrophobicContact CG1-CD1 4.29Å; V523-L526 HydrophobicContact CG2-CD1 4.38Å; V523-L526 WeakPolarHBondContact O-CB 3.4Å; V523-L526 PolarHBondContact O-N 3.39Å
524	S	56.4	Low	64	Low	53 Å²	53	102.9 Å²	102.9	37%	0.371	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-64.1	-23.7	172	62.9	0	0	0	0	113.3	E521 T522	E521-S524 PolarHBondContact O-OG 3.41Å; T522-S524 PolarHBondContact O-N 3.14Å
525	R	59.9	Low	64.5	Low	178 Å²	178	100.4 Å²	100.4	67%	0.672	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-86.6	-6.6	177.4	-54.4	-177.2	177.6	-177	-1.1	112.9	T522 V523	T522-R525 WeakPolarHBondContact O-CA 3.35Å; T522-R525 VanDerWaalsContact O-CB 3.28Å; T522-R525 WeakPolarHBondContact O-CB 3.39Å; T522-R525 PolarHBondContact O-N 2.93Å; V523-R525 PolarHBondContact O-N 2.9Å
526	L	59.7	Low	65.1	Low	99 Å²	99	101.5 Å²	101.5	52%	0.518	48%	0.484	S	S	.	.	S	Bend	trans	-74.6	148.5	176.4	-68.4	171.2	0	0	0	111.6	K469 V523	K469-L526 WeakPolarHBondContact CB-O 3.4Å; K469-L526 PolarHBondContact N-O 3.38Å; V523-L526 HydrophobicContact CB-CD1 4.42Å; V523-L526 HydrophobicContact CG1-CD1 4.29Å; V523-L526 HydrophobicContact CG2-CD1 4.38Å; V523-L526 WeakPolarHBondContact O-CB 3.4Å; V523-L526 PolarHBondContact O-N 3.39Å
527	P	59.6	Low	65.7	Low	50 Å²	50	98.2 Å²	98.2	33%	0.325	46%	0.464	S	S	.	.	B	Isolated β-bridge	trans	-61	141.4	176.7	-21.9	33.5	0	0	0	112.2	F466 R529	F466-P527 HydrophobicContact CE1-CG 3.98Å; F466-P527 HydrophobicContact CE2-CG 4.26Å; F466-P527 HydrophobicContact CZ-CB 4.36Å; F466-P527 HydrophobicContact CZ-CG 3.49Å; F466-P527 VanDerWaalsContact CZ-CG 3.49Å; P527-R529 WeakPolarHBondContact CB-O 3.32Å; P527-R529 PolarHBondContact O-N 3.01Å
528	K	58.3	Low	66.6	Low	167 Å²	167	93.5 Å²	93.5	73%	0.726	45%	0.445	S	S	*	.	S	Bend	trans	-64.4	-28.7	177.5	-171.6	177.2	177.6	-177.7	0	112.9	K469	K469-K528 HydrophobicContact CG-CB 4.5Å
529	R	61.9	Low	67.5	Low	214 Å²	214	87.2 Å²	87.2	81%	0.808	42%	0.417	S	S	*	.	S	Bend	trans	-146.3	145	174.1	-170.3	175.6	-176.8	177	1.6	106.8	P527 Q531	P527-R529 WeakPolarHBondContact CB-O 3.32Å; P527-R529 PolarHBondContact O-N 3.01Å; R529-Q531 PolarHBondContact O-N 3.49Å
530	R	62.8	Low	68.3	Low	249 Å²	249	82.9 Å²	82.9	94%	0.94	39%	0.394	S	S	*	.			trans	-61.2	105.8	170.3	-70.5	-175.5	179.4	-178.4	-0.2	107.9
531	Q	67.3	Low	69	Low	39 Å²	39	78.6 Å²	78.6	18%	0.182	37%	0.374	C	S	.	.			trans	-80.9	136.6	176.9	-68.8	177.6	-55.1	0	0	108.3	E465 R529 L533	E465-Q531 PolarHBondContact O-NE2 3.39Å; R529-Q531 PolarHBondContact O-N 3.49Å; Q531-L533 PolarHBondContact O-N 3.47Å
532	H	70.3	Confident	70	Confident	41 Å²	41	78 Å²	78	19%	0.19	37%	0.369	C	S	.	.	S	Bend	trans	-78.6	114.1	-179.6	-179.9	-111.1	0	0	0	109.6	R541 C544 E545	H532-R541 PolarHBondContact CE1-O 3.05Å; H532-R541 WeakPolarHBondContact O-CD 3.47Å; H532-C544 PolarHBondContact CE1-O 3.23Å; H532-E545 PolarHBondContact NE2-O 2.95Å
533	L	69.1	Low	70.9	Confident	41 Å²	41	75.4 Å²	75.4	22%	0.215	35%	0.353	C	S	.	.	S	Bend	trans	45.4	60.6	177.8	-63.8	173.3	0	0	0	115	Q531 H536 R541 C544	Q531-L533 PolarHBondContact O-N 3.47Å; L533-H536 HydrophobicContact CB-CB 4.48Å; L533-H536 PolarHBondContact O-N 3.4Å; L533-R541 HydrophobicContact CB-CG 4.09Å; L533-R541 WeakPolarHBondContact O-CD 3.38Å; L533-C544 HydrophobicContact CD1-CB 3.56Å
534	P	67.9	Low	71.7	Confident	48 Å²	48	72.6 Å²	72.6	31%	0.312	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	140.3	174.1	28.3	-33.2	0	0	0	110.3	F466	F466-P534 HydrophobicContact CD2-CB 3.81Å; F466-P534 HydrophobicContact CD2-CG 3.81Å; F466-P534 HydrophobicContact CE2-CB 4.42Å; F466-P534 HydrophobicContact CE2-CG 3.91Å
535	G	71.9	Confident	72.8	Confident	40 Å²	40	71.5 Å²	71.5	41%	0.412	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	-14.2	-174	0	0	0	0	0	115.2	V463	V463-G535 VanDerWaalsContact CG1-C 3.46Å
536	H	79.3	Confident	73.5	Confident	65 Å²	65	69 Å²	69	30%	0.301	32%	0.319	S	S	.	.	S	Bend	trans	-103	149.6	-179.9	-66.9	74.4	0	0	0	112.2	L533 Y540 R541	L533-H536 HydrophobicContact CB-CB 4.48Å; L533-H536 PolarHBondContact O-N 3.4Å; H536-Y540 HydrophobicContact CB-CD1 3.99Å; H536-Y540 AromaticContact CD2-CD1 3.59Å; H536-Y540 AromaticContact CD2-CE1 3.43Å; H536-Y540 VanDerWaalsContact CD2-CE1 3.43Å; H536-Y540 WeakPolarHBondContact CD2-CE1 3.32Å; H536-R541 HydrophobicContact CB-CG 4.03Å; H536-R541 PolarHBondContact O-NE 2.85Å
537	P	83.7	Confident	73.6	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.006	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-65.2	156.9	-179.2	26.3	-32.9	0	0	0	112	W461 W539 Y540 R541	W461-P537 HydrophobicContact CE3-CB 3.93Å; W461-P537 HydrophobicContact CE3-CG 3.89Å; W461-P537 HydrophobicContact CZ3-CG 4.01Å; P537-W539 VanDerWaalsContact C-N 3.32Å; P537-W539 HydrophobicContact CG-CD2 4.48Å; P537-W539 HydrophobicContact CG-CZ2 4.04Å; P537-W539 PolarHBondContact O-N 2.96Å; P537-Y540 PolarHBondContact O-N 3.15Å; P537-R541 WeakPolarHBondContact O-CG 3.34Å; P537-R541 PolarHBondContact O-N 2.86Å; P537-R541 VanDerWaalsContact O-N 3.16Å
538	A	81.6	Confident	73.7	Confident	18 Å²	18	72.6 Å²	72.6	15%	0.149	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-38.3	-175.9	0	0	0	0	0	113.1	E460 D462 K542	E460-A538 HydrophobicContact CB-CB 4.36Å; D462-A538 PolarHBondContact O-N 2.95Å; A538-K542 WeakPolarHBondContact O-CG 3.37Å; A538-K542 PolarHBondContact O-N 3.24Å
539	W	84.2	Confident	73.9	Confident	15 Å²	15	69.4 Å²	69.4	6%	0.057	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-39.7	178.7	67.2	-102.1	0	0	0	112.3	A441 E460 W461 P537 K542 L543 L565 L569	A441-W539 HydrophobicContact CB-CH2 3.99Å; A441-W539 HydrophobicContact CB-CZ2 4.44Å; E460-W539 VanDerWaalsContact O-CD1 3.27Å; W461-W539 AromaticContact CD2-NE1 3.74Å; W461-W539 AromaticContact CE2-NE1 3.75Å; W461-W539 AromaticContact CE3-NE1 3.78Å; W461-W539 AromaticContact CH2-CZ2 3.6Å; W461-W539 HydrophobicContact CH2-CZ2 3.6Å; W461-W539 AromaticContact CH2-NE1 3.91Å; W461-W539 HydrophobicContact CZ2-CZ2 4.12Å; W461-W539 AromaticContact CZ2-NE1 3.85Å; W461-W539 AromaticContact CZ3-CZ2 3.89Å; W461-W539 HydrophobicContact CZ3-CZ2 3.89Å; W461-W539 AromaticContact CZ3-NE1 3.88Å; P537-W539 VanDerWaalsContact C-N 3.32Å; P537-W539 HydrophobicContact CG-CD2 4.48Å; P537-W539 HydrophobicContact CG-CZ2 4.04Å; P537-W539 PolarHBondContact O-N 2.96Å; W539-K542 WeakPolarHBondContact O-CB 2.76Å; W539-K542 PolarHBondContact O-N 3.35Å; W539-L543 HydrophobicContact CE3-CD1 3.98Å; W539-L543 HydrophobicContact CZ3-CD1 3.87Å; W539-L565 HydrophobicContact CD2-CD2 4.3Å; W539-L565 HydrophobicContact CE3-CD2 3.47Å; W539-L565 VanDerWaalsContact CE3-CD2 3.47Å; W539-L565 HydrophobicContact CZ3-CD2 4.02Å; W539-L569 HydrophobicContact CH2-CD2 4.29Å; W539-L569 HydrophobicContact CZ3-CD2 4.29Å
540	Y	84.3	Confident	73.7	Confident	18 Å²	18	68 Å²	68	7%	0.071	34%	0.338	C	S	.	.	H	α-helix	trans	-73.1	-39.1	-178.5	-178.3	-99.7	0	0	0	111.8	A438 D439 C442 H536 P537 K542 L543 C544 A556	A438-Y540 HydrophobicContact CB-CD2 4.42Å; A438-Y540 HydrophobicContact CB-CE2 4.28Å; D439-Y540 WeakPolarHBondContact OD1-CE2 3.24Å; D439-Y540 PolarHBondContact OD1-OH 2.98Å; C442-Y540 HydrophobicContact CB-CD2 4.39Å; C442-Y540 HydrophobicContact CB-CE2 4.41Å; C442-Y540 WeakPolarHBondContact SG-CB 3.48Å; C442-Y540 WeakPolarHBondContact SG-CD2 3.47Å; H536-Y540 HydrophobicContact CB-CD1 3.99Å; H536-Y540 AromaticContact CD2-CD1 3.59Å; H536-Y540 AromaticContact CD2-CE1 3.43Å; H536-Y540 VanDerWaalsContact CD2-CE1 3.43Å; H536-Y540 WeakPolarHBondContact CD2-CE1 3.32Å; P537-Y540 PolarHBondContact O-N 3.15Å; Y540-K542 PolarHBondContact O-N 3.1Å; Y540-L543 WeakPolarHBondContact O-CA 3.27Å; Y540-L543 WeakPolarHBondContact O-CB 3.47Å; Y540-L543 PolarHBondContact O-N 2.93Å; Y540-C544 PolarHBondContact O-N 3.47Å; Y540-C544 PolarHBondContact O-SG 3.22Å; Y540-A556 HydrophobicContact CD2-CB 4.44Å; Y540-A556 HydrophobicContact CE2-CB 3.97Å
541	R	81.8	Confident	73.6	Confident	51 Å²	51	59.9 Å²	59.9	19%	0.192	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-30.7	174.3	-68.8	-175	-72.1	152.3	-1.9	113	H532 L533 H536 P537 L543 C544	H532-R541 PolarHBondContact CE1-O 3.05Å; H532-R541 WeakPolarHBondContact O-CD 3.47Å; L533-R541 HydrophobicContact CB-CG 4.09Å; L533-R541 WeakPolarHBondContact O-CD 3.38Å; H536-R541 HydrophobicContact CB-CG 4.03Å; H536-R541 PolarHBondContact O-NE 2.85Å; P537-R541 WeakPolarHBondContact O-CG 3.34Å; P537-R541 PolarHBondContact O-N 2.86Å; P537-R541 VanDerWaalsContact O-N 3.16Å; R541-L543 PolarHBondContact O-N 3.37Å; R541-C544 PolarHBondContact O-N 2.81Å
542	K	82.4	Confident	73.7	Confident	131 Å²	131	62.7 Å²	62.7	57%	0.57	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-20.9	173.7	-67.1	168.7	-164.8	168.7	0	112.4	E460 A538 W539 Y540	E460-K542 IonicContact OE2-NZ 2.74Å; E460-K542 PolarHBondContact OE2-NZ 3.47Å; A538-K542 WeakPolarHBondContact O-CG 3.37Å; A538-K542 PolarHBondContact O-N 3.24Å; W539-K542 WeakPolarHBondContact O-CB 2.76Å; W539-K542 PolarHBondContact O-N 3.35Å; Y540-K542 PolarHBondContact O-N 3.1Å
543	L	82.4	Confident	73.6	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-14.9	178.2	-56.6	176.7	0	0	0	113.7	A438 W539 Y540 R541 A556 S557 L558 I559 M563 L565	A438-L543 HydrophobicContact CB-CD1 4.18Å; W539-L543 HydrophobicContact CE3-CD1 3.98Å; W539-L543 HydrophobicContact CZ3-CD1 3.87Å; Y540-L543 WeakPolarHBondContact O-CA 3.27Å; Y540-L543 WeakPolarHBondContact O-CB 3.47Å; Y540-L543 PolarHBondContact O-N 2.93Å; R541-L543 PolarHBondContact O-N 3.37Å; L543-A556 HydrophobicContact CB-CB 3.75Å; L543-A556 HydrophobicContact CD1-CB 4.17Å; L543-A556 CarbonylContact O-C 3.2Å; L543-A556 WeakPolarHBondContact O-CA 3.48Å; L543-S557 PolarHBondContact O-N 2.63Å; L543-L558 VanDerWaalsContact O-CB 3.24Å; L543-L558 WeakPolarHBondContact O-CB 3.28Å; L543-L558 PolarHBondContact O-N 2.74Å; L543-I559 HydrophobicContact CD1-CD1 4.44Å; L543-M563 HydrophobicContact CD2-CE 3.29Å; L543-M563 HydrophobicContact CD2-SD 3.53Å; L543-M563 VanDerWaalsContact CD2-SD 3.53Å; L543-L565 HydrophobicContact CD1-CD2 3.85Å; L543-L565 HydrophobicContact CD2-CD2 4.38Å; L543-L565 HydrophobicContact CG-CD2 4.43Å
544	C	81.6	Confident	73.4	Confident	6 Å²	6	65.1 Å²	65.1	4%	0.041	35%	0.351	C	S	.	.	S	Bend	trans	-99.4	137.7	-178.7	-52.6	0	0	0	0	111	H532 L533 Y540 R541 G555	H532-C544 PolarHBondContact CE1-O 3.23Å; L533-C544 HydrophobicContact CD1-CB 3.56Å; Y540-C544 PolarHBondContact O-N 3.47Å; Y540-C544 PolarHBondContact O-SG 3.22Å; R541-C544 PolarHBondContact O-N 2.81Å; C544-G555 PolarHBondContact SG-O 3.15Å; C544-G555 VanDerWaalsContact SG-O 3.32Å
545	E	79.4	Confident	73.7	Confident	30 Å²	30	63.8 Å²	63.8	14%	0.14	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-60.8	149.5	172	-75	169.5	161.2	0	0	111.8	H532 W552 S553 S557 L558	H532-E545 PolarHBondContact NE2-O 2.95Å; E545-W552 VanDerWaalsContact O-CD1 3.24Å; E545-W552 PolarHBondContact O-NE1 3.46Å; E545-W552 VanDerWaalsContact O-NE1 3.14Å; E545-S553 PolarHBondContact OE2-N 2.91Å; E545-S553 PolarHBondContact OE2-OG 3.28Å; E545-S557 WeakPolarHBondContact CG-OG 3.42Å; E545-L558 HydrophobicContact CG-CD1 4.27Å; E545-L558 HydrophobicContact CG-CD2 3.74Å; E545-L558 HydrophobicContact CG-CG 3.94Å
546	K	75.1	Confident	73.9	Confident	125 Å²	125	61.9 Å²	61.9	54%	0.543	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-76.6	132.4	177.5	-69.2	177.6	-173.7	164.2	0	109.5	S548 E549 W552	K546-S548 PolarHBondContact O-N 3.27Å; K546-E549 PolarHBondContact O-N 3.3Å; K546-E549 VanDerWaalsContact O-N 3.08Å; K546-W552 VanDerWaalsContact C-CD1 3.41Å
547	M	61.4	Low	73.9	Confident	123 Å²	123	60.1 Å²	60.1	61%	0.606	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	0.9	175.9	-77.2	179.4	155.9	0	0	115.5	W552	M547-W552 VanDerWaalsContact CA-CD1 3.45Å; M547-W552 HydrophobicContact CE-CH2 3.7Å; M547-W552 HydrophobicContact CE-CZ2 3.42Å; M547-W552 VanDerWaalsContact CE-CZ2 3.42Å; M547-W552 HydrophobicContact CG-CD2 4.03Å; M547-W552 VanDerWaalsContact CG-CE2 3.47Å; M547-W552 HydrophobicContact CG-CG 4.3Å; M547-W552 HydrophobicContact CG-CZ2 3.83Å
548	S	60.5	Low	73.7	Confident	102 Å²	102	64.1 Å²	64.1	71%	0.713	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-3.2	177.9	56.3	0	0	0	0	114.1	K546	K546-S548 PolarHBondContact O-N 3.27Å
549	E	62.3	Low	73.8	Confident	99 Å²	99	63.4 Å²	63.4	46%	0.463	34%	0.336	S	S	.	.	S	Bend	trans	-98.1	142.6	179.5	-68.4	175.9	-178.6	0	0	110.6	K546 S551 W552	K546-E549 PolarHBondContact O-N 3.3Å; K546-E549 VanDerWaalsContact O-N 3.08Å; E549-S551 PolarHBondContact O-N 3.3Å; E549-S551 VanDerWaalsContact O-N 3.11Å; E549-W552 PolarHBondContact O-N 2.98Å
550	D	58.5	Low	73.7	Confident	184 Å²	184	64.8 Å²	64.8	98%	0.984	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.8	-175.7	-70.1	-30.7	0	0	0	113.6
551	S	60.3	Low	73.6	Confident	80 Å²	80	64.8 Å²	64.8	56%	0.559	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	16.9	179.2	60.5	0	0	0	0	114.2	E549 S553	E549-S551 PolarHBondContact O-N 3.3Å; E549-S551 VanDerWaalsContact O-N 3.11Å; S551-S553 PolarHBondContact O-N 2.93Å
552	W	69	Low	73.6	Confident	98 Å²	98	71 Å²	71	37%	0.371	38%	0.38	S	S	.	.			trans	-58.3	122.3	-172.9	-177.6	74.8	0	0	0	113.8	E545 K546 M547 E549 P554	E545-W552 VanDerWaalsContact O-CD1 3.24Å; E545-W552 PolarHBondContact O-NE1 3.46Å; E545-W552 VanDerWaalsContact O-NE1 3.14Å; K546-W552 VanDerWaalsContact C-CD1 3.41Å; M547-W552 VanDerWaalsContact CA-CD1 3.45Å; M547-W552 HydrophobicContact CE-CH2 3.7Å; M547-W552 HydrophobicContact CE-CZ2 3.42Å; M547-W552 VanDerWaalsContact CE-CZ2 3.42Å; M547-W552 HydrophobicContact CG-CD2 4.03Å; M547-W552 VanDerWaalsContact CG-CE2 3.47Å; M547-W552 HydrophobicContact CG-CG 4.3Å; M547-W552 HydrophobicContact CG-CZ2 3.83Å; E549-W552 PolarHBondContact O-N 2.98Å; W552-P554 HydrophobicContact CH2-CB 4.28Å; W552-P554 HydrophobicContact CH2-CG 4.02Å; W552-P554 HydrophobicContact CZ3-CG 4.02Å
553	S	69	Low	73.7	Confident	38 Å²	38	67.7 Å²	67.7	27%	0.266	37%	0.368	S	S	.	.			trans	-113.7	144.2	173.6	54.1	0	0	0	0	112.6	E545 S551 S557	E545-S553 PolarHBondContact OE2-N 2.91Å; E545-S553 PolarHBondContact OE2-OG 3.28Å; S551-S553 PolarHBondContact O-N 2.93Å; S553-S557 WeakPolarHBondContact OG-CB 3.34Å; S553-S557 PolarHBondContact OG-OG 2.82Å
554	P	64.8	Low	73.9	Confident	95 Å²	95	74.7 Å²	74.7	62%	0.617	39%	0.394	S	S	*	.	S	Bend	trans	-68.9	138.5	174.5	-17.5	30.6	0	0	0	112.5	W552	W552-P554 HydrophobicContact CH2-CB 4.28Å; W552-P554 HydrophobicContact CH2-CG 4.02Å; W552-P554 HydrophobicContact CZ3-CG 4.02Å
555	G	73.4	Confident	74.1	Confident	19 Å²	19	75.5 Å²	75.5	20%	0.196	40%	0.398	C	S	.	.	S	Bend	trans	95.1	-172.7	174.6	0	0	0	0	0	114.5	C544 S557	C544-G555 PolarHBondContact SG-O 3.15Å; C544-G555 VanDerWaalsContact SG-O 3.32Å; G555-S557 PolarHBondContact O-N 3Å
556	A	77.5	Confident	74.5	Confident	0 Å²	0	74 Å²	74	0%	0	39%	0.391	C	S	.	.	S	Bend	trans	-75.5	54.7	-178.3	0	0	0	0	0	113.6	M435 A438 Y540 L543 L558 I559	M435-A556 WeakPolarHBondContact CG-O 3.42Å; A438-A556 HydrophobicContact CB-CB 3.8Å; Y540-A556 HydrophobicContact CD2-CB 4.44Å; Y540-A556 HydrophobicContact CE2-CB 3.97Å; L543-A556 HydrophobicContact CB-CB 3.75Å; L543-A556 HydrophobicContact CD1-CB 4.17Å; L543-A556 CarbonylContact O-C 3.2Å; L543-A556 WeakPolarHBondContact O-CA 3.48Å; A556-L558 VanDerWaalsContact C-N 3.27Å; A556-L558 PolarHBondContact O-N 3.17Å; A556-I559 VanDerWaalsContact O-CG2 3.23Å; A556-I559 WeakPolarHBondContact O-CG2 2.97Å; A556-I559 PolarHBondContact O-N 3.23Å
557	S	77.9	Confident	75.1	Confident	28 Å²	28	68.2 Å²	68.2	20%	0.196	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-21	-171.9	54.3	0	0	0	0	115.7	L543 E545 S553 G555 I559	L543-S557 PolarHBondContact O-N 2.63Å; E545-S557 WeakPolarHBondContact CG-OG 3.42Å; S553-S557 WeakPolarHBondContact OG-CB 3.34Å; S553-S557 PolarHBondContact OG-OG 2.82Å; G555-S557 PolarHBondContact O-N 3Å; S557-I559 VanDerWaalsContact C-N 3.3Å; S557-I559 PolarHBondContact O-N 2.89Å
558	L	80	Confident	76.4	Confident	85 Å²	85	63.1 Å²	63.1	45%	0.445	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.7	-180	-56.4	173.4	0	0	0	113.4	L543 E545 A556 S560	L543-L558 VanDerWaalsContact O-CB 3.24Å; L543-L558 WeakPolarHBondContact O-CB 3.28Å; L543-L558 PolarHBondContact O-N 2.74Å; E545-L558 HydrophobicContact CG-CD1 4.27Å; E545-L558 HydrophobicContact CG-CD2 3.74Å; E545-L558 HydrophobicContact CG-CG 3.94Å; A556-L558 VanDerWaalsContact C-N 3.27Å; A556-L558 PolarHBondContact O-N 3.17Å; L558-S560 PolarHBondContact O-N 3.4Å
559	I	83.1	Confident	77.7	Confident	3 Å²	3	58.3 Å²	58.3	2%	0.015	31%	0.306	C	S	.	.			trans	-65.3	133.6	-179.4	-167	160.7	0	0	0	111.6	L434 M435 A438 L543 A556 S557 L569	L434-I559 HydrophobicContact CB-CD1 3.92Å; L434-I559 HydrophobicContact CB-CG1 4.16Å; L434-I559 HydrophobicContact CB-CG2 3.73Å; L434-I559 HydrophobicContact CD1-CG1 4.48Å; M435-I559 HydrophobicContact CG-CG2 4.04Å; A438-I559 HydrophobicContact CB-CD1 4.18Å; L543-I559 HydrophobicContact CD1-CD1 4.44Å; A556-I559 VanDerWaalsContact O-CG2 3.23Å; A556-I559 WeakPolarHBondContact O-CG2 2.97Å; A556-I559 PolarHBondContact O-N 3.23Å; S557-I559 VanDerWaalsContact C-N 3.3Å; S557-I559 PolarHBondContact O-N 2.89Å; I559-L569 HydrophobicContact CD1-CD1 3.54Å
560	S	83.9	Confident	78.8	Confident	44 Å²	44	53.6 Å²	53.6	31%	0.308	28%	0.284	S	S	.	.			trans	-143.9	157.9	176.5	72.5	0	0	0	0	112.2	L558 Q562 M563 T566	L558-S560 PolarHBondContact O-N 3.4Å; S560-Q562 PolarHBondContact O-N 3.39Å; S560-Q562 VanDerWaalsContact O-N 3.12Å; S560-M563 WeakPolarHBondContact O-CB 3.24Å; S560-M563 PolarHBondContact O-N 2.92Å; S560-M563 VanDerWaalsContact O-N 3.09Å; S560-M563 WeakPolarHBondContact OG-CG 3.06Å; S560-T566 PolarHBondContact O-OG1 3.29Å
561	L	81.1	Confident	80.2	Confident	18 Å²	18	44.8 Å²	44.8	9%	0.094	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.5	176.1	-64.6	178.2	0	0	0	114.1	M430 L434 M563 T566 F726 N755	M430-L561 HydrophobicContact CE-CD1 3.67Å; M430-L561 HydrophobicContact CE-CG 3.85Å; M430-L561 HydrophobicContact SD-CD1 3.6Å; M430-L561 HydrophobicContact SD-CD2 4.08Å; M430-L561 HydrophobicContact SD-CG 3.96Å; L434-L561 HydrophobicContact CD1-CD2 4.12Å; L561-M563 VanDerWaalsContact C-N 3.29Å; L561-T566 HydrophobicContact CD2-CG2 3.99Å; L561-F726 HydrophobicContact CB-CD2 4.1Å; L561-F726 HydrophobicContact CD2-CD1 4.49Å; L561-F726 HydrophobicContact CD2-CD2 4.11Å; L561-F726 HydrophobicContact CD2-CE1 4.39Å; L561-F726 HydrophobicContact CD2-CE2 3.99Å; L561-F726 HydrophobicContact CD2-CG 4.36Å; L561-F726 HydrophobicContact CD2-CZ 4.15Å; L561-F726 WeakPolarHBondContact O-CD2 3.31Å; L561-N755 HydrophobicContact CD1-CB 3.92Å; L561-N755 WeakPolarHBondContact CD1-OD1 3.45Å
562	Q	81.2	Confident	81.5	Confident	183 Å²	183	41 Å²	41	86%	0.855	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.9	177.8	-64.6	-175.3	-7.9	0	0	112.4	S560	S560-Q562 PolarHBondContact O-N 3.39Å; S560-Q562 VanDerWaalsContact O-N 3.12Å
563	M	85.8	Confident	82.4	Confident	61 Å²	61	36.7 Å²	36.7	30%	0.3	20%	0.195	S	C	.	.	S	Bend	trans	-74.4	136.9	-179.5	-55.2	-173	71.3	0	0	110.7	L543 S560 L561 L565 T566 P567	L543-M563 HydrophobicContact CD2-CE 3.29Å; L543-M563 HydrophobicContact CD2-SD 3.53Å; L543-M563 VanDerWaalsContact CD2-SD 3.53Å; S560-M563 WeakPolarHBondContact O-CB 3.24Å; S560-M563 PolarHBondContact O-N 2.92Å; S560-M563 VanDerWaalsContact O-N 3.09Å; S560-M563 WeakPolarHBondContact OG-CG 3.06Å; L561-M563 VanDerWaalsContact C-N 3.29Å; M563-L565 PolarHBondContact O-N 3.23Å; M563-L565 VanDerWaalsContact O-N 3.17Å; M563-T566 WeakPolarHBondContact O-CB 3.27Å; M563-T566 PolarHBondContact O-N 2.83Å; M563-T566 VanDerWaalsContact O-N 3.13Å; M563-T566 PolarHBondContact O-OG1 3.46Å; M563-P567 WeakPolarHBondContact O-CD 3.42Å
564	R	85.7	Confident	83.2	Confident	147 Å²	147	34.9 Å²	34.9	56%	0.555	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.4	176.3	-64.6	-178.8	-176.3	167.7	0.2	113.3	Y581 W587	R564-Y581 PolarHBondContact NH2-OH 2.89Å; R564-W587 HydrophobicContact CB-CZ2 4.37Å; R564-W587 VanDerWaalsContact O-CH2 3.26Å; R564-W587 WeakPolarHBondContact O-CH2 3.24Å; R564-W587 WeakPolarHBondContact O-CZ2 3.31Å
565	L	86.8	Confident	84	Confident	23 Å²	23	30.9 Å²	30.9	12%	0.12	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-29.9	178.4	-179.7	62.3	0	0	0	112.3	L459 W539 L543 M563 K568 L569	L459-L565 HydrophobicContact CD1-CD1 3.44Å; L459-L565 VanDerWaalsContact CD1-CD1 3.44Å; L459-L565 HydrophobicContact CD2-CD1 3.9Å; L459-L565 HydrophobicContact CG-CD1 4.35Å; W539-L565 HydrophobicContact CD2-CD2 4.3Å; W539-L565 HydrophobicContact CE3-CD2 3.47Å; W539-L565 VanDerWaalsContact CE3-CD2 3.47Å; W539-L565 HydrophobicContact CZ3-CD2 4.02Å; L543-L565 HydrophobicContact CD1-CD2 3.85Å; L543-L565 HydrophobicContact CD2-CD2 4.38Å; L543-L565 HydrophobicContact CG-CD2 4.43Å; M563-L565 PolarHBondContact O-N 3.23Å; M563-L565 VanDerWaalsContact O-N 3.17Å; L565-K568 WeakPolarHBondContact O-CB 3.35Å; L565-K568 PolarHBondContact O-N 2.83Å; L565-L569 HydrophobicContact CD1-CG 4.15Å; L565-L569 HydrophobicContact CD2-CD1 3.97Å; L565-L569 HydrophobicContact CD2-CG 4.48Å; L565-L569 HydrophobicContact CG-CD1 3.74Å; L565-L569 HydrophobicContact CG-CG 3.88Å; L565-L569 PolarHBondContact O-N 2.94Å
566	T	87.5	Confident	84.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-45.2	-171.7	-54.7	0	0	0	0	113.8	L434 S560 L561 M563 K568 L569 M570 F726	L434-T566 HydrophobicContact CD1-CG2 4.07Å; L434-T566 HydrophobicContact CD2-CG2 3.72Å; S560-T566 PolarHBondContact O-OG1 3.29Å; L561-T566 HydrophobicContact CD2-CG2 3.99Å; M563-T566 WeakPolarHBondContact O-CB 3.27Å; M563-T566 PolarHBondContact O-N 2.83Å; M563-T566 VanDerWaalsContact O-N 3.13Å; M563-T566 PolarHBondContact O-OG1 3.46Å; T566-K568 PolarHBondContact O-N 3.12Å; T566-L569 PolarHBondContact O-N 3.4Å; T566-M570 HydrophobicContact CG2-SD 4.09Å; T566-M570 WeakPolarHBondContact O-CG 3.36Å; T566-M570 PolarHBondContact O-N 3.36Å; T566-F726 HydrophobicContact CG2-CE2 4.03Å; T566-F726 HydrophobicContact CG2-CZ 4.21Å
567	P	88.3	Confident	84.7	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-57.6	-33.7	172.8	-27.7	37.2	0	0	0	114.5	M563 G571 L572 W587 P725 F726	M563-P567 WeakPolarHBondContact O-CD 3.42Å; P567-G571 PolarHBondContact O-N 3.35Å; P567-L572 HydrophobicContact CB-CD1 3.95Å; P567-L572 HydrophobicContact CB-CG 4.49Å; P567-L572 PolarHBondContact O-N 2.86Å; P567-L572 VanDerWaalsContact O-N 3.13Å; P567-W587 HydrophobicContact CB-CH2 3.53Å; P567-W587 HydrophobicContact CB-CZ2 4.04Å; P567-W587 HydrophobicContact CB-CZ3 3.9Å; P567-W587 HydrophobicContact CG-CH2 3.65Å; P567-W587 HydrophobicContact CG-CZ2 3.63Å; P567-W587 HydrophobicContact CG-CZ3 4.39Å; P567-P725 HydrophobicContact CB-CG 3.86Å; P567-P725 HydrophobicContact CG-CG 3.52Å; P567-F726 HydrophobicContact CB-CE2 4.49Å; P567-F726 HydrophobicContact CB-CZ 4.45Å; P567-F726 HydrophobicContact CG-CD2 4.42Å; P567-F726 HydrophobicContact CG-CE2 3.61Å; P567-F726 HydrophobicContact CG-CZ 4.03Å
568	K	88.1	Confident	85.2	Confident	16 Å²	16	29 Å²	29	7%	0.07	14%	0.14	C	C	.	.	H	α-helix	trans	-74.2	-43.3	178.2	-67.9	179.9	164.1	-166.2	0	111.6	W455 L456 D458 L459 L565 T566 M570 G571 W587	W455-K568 HydrophobicContact CB-CB 4.26Å; W455-K568 WeakPolarHBondContact CB-O 3.32Å; W455-K568 WeakPolarHBondContact O-CD 3.46Å; L456-K568 HydrophobicContact CD2-CB 4.04Å; D458-K568 IonicContact OD1-NZ 3.97Å; D458-K568 PolarHBondContact OD1-NZ 3.32Å; D458-K568 IonicContact OD2-NZ 3.62Å; D458-K568 PolarHBondContact OD2-NZ 3.42Å; L459-K568 HydrophobicContact CD2-CD 4.38Å; L565-K568 WeakPolarHBondContact O-CB 3.35Å; L565-K568 PolarHBondContact O-N 2.83Å; T566-K568 PolarHBondContact O-N 3.12Å; K568-M570 VanDerWaalsContact C-N 3.29Å; K568-M570 PolarHBondContact O-N 3Å; K568-G571 WeakPolarHBondContact O-CA 3.46Å; K568-G571 PolarHBondContact O-N 3.03Å; K568-W587 HydrophobicContact CG-CH2 4.44Å
569	L	87.2	Confident	85.7	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-36.9	175.8	-71.2	174	0	0	0	112.6	A438 A441 L456 W539 I559 L565 T566 G571	A438-L569 HydrophobicContact CB-CD1 4.09Å; A441-L569 HydrophobicContact CB-CD2 3.63Å; L456-L569 HydrophobicContact CD1-CD2 4.42Å; L456-L569 HydrophobicContact CD2-CD2 4Å; W539-L569 HydrophobicContact CH2-CD2 4.29Å; W539-L569 HydrophobicContact CZ3-CD2 4.29Å; I559-L569 HydrophobicContact CD1-CD1 3.54Å; L565-L569 HydrophobicContact CD1-CG 4.15Å; L565-L569 HydrophobicContact CD2-CD1 3.97Å; L565-L569 HydrophobicContact CD2-CG 4.48Å; L565-L569 HydrophobicContact CG-CD1 3.74Å; L565-L569 HydrophobicContact CG-CG 3.88Å; L565-L569 PolarHBondContact O-N 2.94Å; T566-L569 PolarHBondContact O-N 3.4Å; L569-G571 PolarHBondContact O-N 2.89Å
570	M	86.3	Confident	86	Confident	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-9.2	173.9	-66.7	178.8	69.9	0	0	113.2	L434 L437 T566 K568 L572 F726 A748 A751 L752	L434-M570 HydrophobicContact CD2-CG 3.93Å; L434-M570 HydrophobicContact CD2-SD 3.9Å; L437-M570 HydrophobicContact CD1-CG 4.11Å; T566-M570 HydrophobicContact CG2-SD 4.09Å; T566-M570 WeakPolarHBondContact O-CG 3.36Å; T566-M570 PolarHBondContact O-N 3.36Å; K568-M570 VanDerWaalsContact C-N 3.29Å; K568-M570 PolarHBondContact O-N 3Å; M570-L572 VanDerWaalsContact C-N 3.35Å; M570-L572 HydrophobicContact CB-CD2 4.05Å; M570-L572 HydrophobicContact CB-CG 4.14Å; M570-L572 HydrophobicContact CE-CD2 4.42Å; M570-L572 PolarHBondContact O-N 2.99Å; M570-F726 HydrophobicContact CE-CE1 4.11Å; M570-F726 HydrophobicContact CE-CZ 4.43Å; M570-F726 HydrophobicContact SD-CE1 3.7Å; M570-F726 HydrophobicContact SD-CZ 3.43Å; M570-F726 WeakPolarHBondContact SD-CZ 3.45Å; M570-A748 HydrophobicContact CB-CB 4.27Å; M570-A748 WeakPolarHBondContact CE-O 3.38Å; M570-A751 HydrophobicContact CE-CB 3.89Å; M570-L752 HydrophobicContact CE-CB 3.85Å; M570-L752 HydrophobicContact CE-CD1 4.43Å
571	G	86.5	Confident	86.2	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	41.2	-178.3	0	0	0	0	0	112.9	W455 P567 K568 L569 T573 G742	W455-G571 WeakPolarHBondContact CZ2-O 3.44Å; P567-G571 PolarHBondContact O-N 3.35Å; K568-G571 WeakPolarHBondContact O-CA 3.46Å; K568-G571 PolarHBondContact O-N 3.03Å; L569-G571 PolarHBondContact O-N 2.89Å; G571-T573 PolarHBondContact O-N 2.95Å; G571-G742 VanDerWaalsContact O-CA 3.26Å; G571-G742 WeakPolarHBondContact O-CA 3.45Å; G571-G742 PolarHBondContact O-N 2.85Å
572	L	88.8	Confident	86.5	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	138.8	-174.6	-65.6	-174	0	0	0	112.2	W455 P567 M570 L579 P725 F726 L739 R740 A741 L752	W455-L572 PolarHBondContact NE1-O 2.73Å; P567-L572 HydrophobicContact CB-CD1 3.95Å; P567-L572 HydrophobicContact CB-CG 4.49Å; P567-L572 PolarHBondContact O-N 2.86Å; P567-L572 VanDerWaalsContact O-N 3.13Å; M570-L572 VanDerWaalsContact C-N 3.35Å; M570-L572 HydrophobicContact CB-CD2 4.05Å; M570-L572 HydrophobicContact CB-CG 4.14Å; M570-L572 HydrophobicContact CE-CD2 4.42Å; M570-L572 PolarHBondContact O-N 2.99Å; L572-L579 HydrophobicContact CB-CD1 3.64Å; L572-L579 HydrophobicContact CB-CG 4.12Å; L572-L579 HydrophobicContact CD1-CD1 4.16Å; L572-L579 PolarHBondContact O-N 3.24Å; L572-P725 HydrophobicContact CD1-CB 4.37Å; L572-P725 HydrophobicContact CD1-CG 4.13Å; L572-F726 HydrophobicContact CD1-CE1 3.71Å; L572-F726 HydrophobicContact CD1-CZ 3.86Å; L572-L739 HydrophobicContact CB-CD1 4.36Å; L572-L739 HydrophobicContact CD1-CD1 4.42Å; L572-R740 CarbonylContact C-O 3.59Å; L572-R740 WeakPolarHBondContact CA-O 3.35Å; L572-A741 HydrophobicContact CD2-CB 4.46Å; L572-L752 HydrophobicContact CD2-CD2 4.4Å
573	T	88.4	Confident	86.6	Confident	7 Å²	7	25.3 Å²	25.3	4%	0.043	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.4	176.6	53.9	0	0	0	0	111.8	W455 G571 F577 L739 R740	W455-T573 HydrophobicContact CH2-CG2 4.38Å; W455-T573 HydrophobicContact CZ2-CG2 3.61Å; G571-T573 PolarHBondContact O-N 2.95Å; T573-F577 CarbonylContact C-O 3.56Å; T573-F577 WeakPolarHBondContact CA-O 3.35Å; T573-F577 WeakPolarHBondContact CB-O 3.49Å; T573-L739 WeakPolarHBondContact O-CA 3.49Å; T573-R740 PolarHBondContact N-O 3.19Å; T573-R740 PolarHBondContact O-N 2.81Å; T573-R740 PolarHBondContact OG1-O 2.78Å
574	W	86.1	Confident	86.5	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	113.7	170.5	-173.7	-83.8	0	0	0	109	G576 F577 L579 Y589 L712 P713 F730 K733 T738 L739 H931	W574-G576 PolarHBondContact O-N 2.74Å; W574-G576 VanDerWaalsContact O-N 3.15Å; W574-F577 PolarHBondContact N-O 2.91Å; W574-F577 WeakPolarHBondContact O-CB 3.48Å; W574-F577 WeakPolarHBondContact O-CD2 3.48Å; W574-F577 PolarHBondContact O-N 2.85Å; W574-L579 HydrophobicContact CB-CD2 3.9Å; W574-Y589 HydrophobicContact CB-CD1 4.05Å; W574-Y589 HydrophobicContact CB-CG 4.13Å; W574-Y589 AromaticContact CD1-CD1 3.77Å; W574-Y589 AromaticContact CD1-CE1 3.64Å; W574-Y589 AromaticContact CD1-CZ 3.98Å; W574-Y589 AromaticContact CG-CD1 3.9Å; W574-Y589 HydrophobicContact CG-CD1 3.9Å; W574-Y589 HydrophobicContact CG-CE1 4.17Å; W574-Y589 HydrophobicContact CG-CG 4.37Å; W574-Y589 AromaticContact NE1-CE1 4Å; W574-L712 HydrophobicContact CB-CD2 4.43Å; W574-L712 HydrophobicContact CD2-CD2 3.5Å; W574-L712 HydrophobicContact CE3-CD2 3.39Å; W574-L712 HydrophobicContact CG-CD2 3.98Å; W574-L712 HydrophobicContact CH2-CD2 4.31Å; W574-L712 HydrophobicContact CZ2-CD2 4.44Å; W574-L712 HydrophobicContact CZ3-CD2 3.83Å; W574-P713 HydrophobicContact CH2-CG 4.07Å; W574-P713 HydrophobicContact CZ2-CG 3.96Å; W574-F730 HydrophobicContact CH2-CD1 4.03Å; W574-F730 AromaticContact CH2-CE1 3.87Å; W574-F730 HydrophobicContact CH2-CE1 3.87Å; W574-F730 AromaticContact CZ3-CD1 3.64Å; W574-F730 HydrophobicContact CZ3-CD1 3.64Å; W574-F730 AromaticContact CZ3-CE1 3.7Å; W574-F730 HydrophobicContact CZ3-CE1 3.7Å; W574-K733 HydrophobicContact CH2-CB 4.22Å; W574-K733 HydrophobicContact CH2-CD 4.25Å; W574-K733 HydrophobicContact CH2-CG 3.88Å; W574-K733 HydrophobicContact CZ3-CB 4.19Å; W574-K733 HydrophobicContact CZ3-CG 4.31Å; W574-T738 CarbonylContact C-O 3.59Å; W574-T738 VanDerWaalsContact CA-O 3.31Å; W574-T738 WeakPolarHBondContact CA-O 3.21Å; W574-T738 HydrophobicContact CD2-CG2 3.71Å; W574-T738 VanDerWaalsContact CE2-CG2 3.41Å; W574-T738 HydrophobicContact CE3-CG2 4.04Å; W574-T738 HydrophobicContact CG-CG2 4.3Å; W574-T738 HydrophobicContact CH2-CG2 3.93Å; W574-T738 HydrophobicContact CZ2-CG2 3.55Å; W574-T738 HydrophobicContact CZ3-CG2 4.14Å; W574-L739 HydrophobicContact CE3-CB 4.3Å; W574-L739 HydrophobicContact CE3-CD1 4.32Å; W574-L739 HydrophobicContact CZ3-CB 4.39Å; W574-H931 HydrophobicContact CZ2-CB 4.35Å; W574-H931 AromaticContact NE1-CD2 3.54Å; W574-H931 AromaticContact NE1-NE2 3.76Å
575	D	81.4	Confident	86.3	Confident	11 Å²	11	24.1 Å²	24.1	6%	0.059	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	36.4	-173.6	-86.1	2	0	0	0	112.8	F577 Y621 T738 H931 R932	D575-F577 VanDerWaalsContact C-N 3.31Å; D575-F577 HydrophobicContact CB-CD2 4.44Å; D575-F577 PolarHBondContact O-N 2.83Å; D575-Y621 VanDerWaalsContact O-CE1 3.28Å; D575-Y621 WeakPolarHBondContact O-CE1 3.31Å; D575-T738 PolarHBondContact N-O 3.44Å; D575-H931 IonicContact OD1-CE1 3.45Å; D575-H931 IonicContact OD1-NE2 3.71Å; D575-H931 IonicContact OD2-CD2 3.23Å; D575-H931 IonicContact OD2-CE1 3.55Å; D575-H931 IonicContact OD2-NE2 3.13Å; D575-H931 PolarHBondContact OD2-NE2 3.31Å; D575-R932 IonicContact OD1-NH2 3.07Å; D575-R932 IonicContact OD2-CZ 2.71Å; D575-R932 IonicContact OD2-NE 3.25Å; D575-R932 PolarHBondContact OD2-NE 3.28Å; D575-R932 IonicContact OD2-NH2 3.58Å; D575-R932 PolarHBondContact OD2-NH2 2.89Å
576	G	78.6	Confident	86.4	Confident	3 Å²	3	23 Å²	23	3%	0.031	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-6.8	-177.6	0	0	0	0	0	115.2	W574	W574-G576 PolarHBondContact O-N 2.74Å; W574-G576 VanDerWaalsContact O-N 3.15Å
577	F	86.9	Confident	86.5	Confident	3 Å²	3	23.2 Å²	23.2	1%	0.013	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	138.2	177.4	-60	-68.4	0	0	0	112.4	T573 W574 D575 Y589 L590 V591 Y618 H693	T573-F577 CarbonylContact C-O 3.56Å; T573-F577 WeakPolarHBondContact CA-O 3.35Å; T573-F577 WeakPolarHBondContact CB-O 3.49Å; W574-F577 PolarHBondContact N-O 2.91Å; W574-F577 WeakPolarHBondContact O-CB 3.48Å; W574-F577 WeakPolarHBondContact O-CD2 3.48Å; W574-F577 PolarHBondContact O-N 2.85Å; D575-F577 VanDerWaalsContact C-N 3.31Å; D575-F577 HydrophobicContact CB-CD2 4.44Å; D575-F577 PolarHBondContact O-N 2.83Å; F577-Y589 HydrophobicContact CB-CD2 3.9Å; F577-Y589 HydrophobicContact CB-CG 4.38Å; F577-Y589 HydrophobicContact CD2-CD2 4.13Å; F577-Y589 HydrophobicContact CD2-CE2 4.4Å; F577-Y589 HydrophobicContact CG-CD2 4.24Å; F577-L590 WeakPolarHBondContact CB-O 3.31Å; F577-L590 WeakPolarHBondContact CD1-O 3.34Å; F577-V591 HydrophobicContact CD1-CB 4.43Å; F577-V591 HydrophobicContact CD1-CG1 4.29Å; F577-V591 HydrophobicContact CD1-CG2 4.26Å; F577-V591 HydrophobicContact CD2-CG2 4.33Å; F577-V591 HydrophobicContact CE1-CB 4.4Å; F577-V591 HydrophobicContact CE1-CG1 3.79Å; F577-V591 HydrophobicContact CE1-CG2 4.46Å; F577-V591 HydrophobicContact CG-CG2 4.19Å; F577-V591 HydrophobicContact CZ-CG1 3.93Å; F577-Y618 HydrophobicContact CD1-CD2 4.01Å; F577-Y618 HydrophobicContact CD1-CG 4.36Å; F577-Y618 HydrophobicContact CE1-CD1 4.13Å; F577-Y618 AromaticContact CE1-CD2 3.35Å; F577-Y618 HydrophobicContact CE1-CD2 3.35Å; F577-Y618 HydrophobicContact CE1-CE1 4.39Å; F577-Y618 AromaticContact CE1-CE2 3.68Å; F577-Y618 HydrophobicContact CE1-CE2 3.68Å; F577-Y618 AromaticContact CE1-CG 3.6Å; F577-Y618 HydrophobicContact CE1-CG 3.6Å; F577-Y618 HydrophobicContact CE2-CD2 4.02Å; F577-Y618 AromaticContact CE2-CE2 3.66Å; F577-Y618 HydrophobicContact CE2-CE2 3.66Å; F577-Y618 HydrophobicContact CZ-CD1 4.32Å; F577-Y618 AromaticContact CZ-CD2 3.37Å; F577-Y618 HydrophobicContact CZ-CD2 3.37Å; F577-Y618 HydrophobicContact CZ-CE1 4.14Å; F577-Y618 AromaticContact CZ-CE2 3.15Å; F577-Y618 HydrophobicContact CZ-CE2 3.15Å; F577-Y618 AromaticContact CZ-CG 3.97Å; F577-Y618 HydrophobicContact CZ-CG 3.97Å; F577-Y618 AromaticContact CZ-CZ 3.57Å; F577-H693 AromaticContact CE2-CD2 3.35Å; F577-H693 WeakPolarHBondContact CE2-CD2 3.49Å; F577-H693 AromaticContact CE2-NE2 3.58Å; F577-H693 AromaticContact CZ-CD2 3.8Å
578	P	88.2	Confident	86.5	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	136.4	-177.6	28.3	-35	0	0	0	112.3	W455 Y589 L590 I614	W455-P578 HydrophobicContact CD2-CB 4.3Å; W455-P578 HydrophobicContact CZ2-CB 3.73Å; P578-Y589 VanDerWaalsContact O-CA 3.29Å; P578-Y589 WeakPolarHBondContact O-CA 3.48Å; P578-L590 HydrophobicContact CG-CB 4.24Å; P578-L590 PolarHBondContact O-N 2.82Å; P578-I614 HydrophobicContact CG-CD1 3.97Å; P578-I614 HydrophobicContact CG-CG1 3.98Å; P578-I614 HydrophobicContact CG-CG2 3.87Å
579	L	90.2	Very high	86.5	Confident	2 Å²	2	22.6 Å²	22.6	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	138.5	173.9	-69.8	-170.7	0	0	0	112.1	L572 W574 W587 G588 L712 P725 L739	L572-L579 HydrophobicContact CB-CD1 3.64Å; L572-L579 HydrophobicContact CB-CG 4.12Å; L572-L579 HydrophobicContact CD1-CD1 4.16Å; L572-L579 PolarHBondContact O-N 3.24Å; W574-L579 HydrophobicContact CB-CD2 3.9Å; L579-W587 HydrophobicContact CB-CE3 4.39Å; L579-W587 HydrophobicContact CB-CZ3 4.45Å; L579-G588 CarbonylContact C-O 3.52Å; L579-G588 VanDerWaalsContact CA-O 3.31Å; L579-G588 WeakPolarHBondContact CA-O 3.38Å; L579-G588 WeakPolarHBondContact CD2-O 3.31Å; L579-L712 HydrophobicContact CD2-CD1 4.13Å; L579-L712 HydrophobicContact CD2-CD2 4.04Å; L579-L712 HydrophobicContact CD2-CG 4.35Å; L579-P725 HydrophobicContact CD1-CB 4.12Å; L579-P725 HydrophobicContact CD1-CG 4.46Å; L579-L739 HydrophobicContact CD1-CD1 3.89Å
580	H	88.6	Confident	86.5	Confident	18 Å²	18	22.6 Å²	22.6	8%	0.083	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	147	177.2	-174.7	81.1	0	0	0	111	D458 G588 L590	D458-H580 IonicContact OD2-CE1 3.25Å; D458-H580 PolarHBondContact OD2-CE1 3.4Å; D458-H580 IonicContact OD2-ND1 2.73Å; H580-G588 PolarHBondContact N-O 3.4Å; H580-G588 PolarHBondContact O-N 3.31Å; H580-G588 VanDerWaalsContact O-O 3.13Å; H580-L590 HydrophobicContact CB-CD1 3.98Å; H580-L590 HydrophobicContact CB-CD2 3.99Å; H580-L590 HydrophobicContact CB-CG 3.79Å
581	Y	88.8	Confident	86.4	Confident	50 Å²	50	22.6 Å²	22.6	20%	0.196	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	129.6	-178.6	178.7	-88.5	0	0	0	110.7	R564 W587	R564-Y581 PolarHBondContact NH2-OH 2.89Å; Y581-W587 AromaticContact CD2-CD1 3.79Å; Y581-W587 AromaticContact CD2-CD2 3.82Å; Y581-W587 HydrophobicContact CD2-CD2 3.82Å; Y581-W587 AromaticContact CD2-CE2 3.63Å; Y581-W587 AromaticContact CD2-CG 3.9Å; Y581-W587 HydrophobicContact CD2-CG 3.9Å; Y581-W587 HydrophobicContact CD2-CZ2 4.16Å; Y581-W587 AromaticContact CD2-NE1 3.62Å; Y581-W587 HydrophobicContact CG-CD2 4.42Å; Y581-W587 HydrophobicContact CG-CZ2 4.42Å
582	T	86.4	Confident	86.1	Confident	17 Å²	17	23.3 Å²	23.3	10%	0.104	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148.7	172.7	63.9	0	0	0	0	110.8	K584 H585 G586 V702 F709	T582-K584 VanDerWaalsContact C-N 3.35Å; T582-K584 PolarHBondContact O-N 3.13Å; T582-H585 WeakPolarHBondContact OG1-CB 3.48Å; T582-H585 PolarHBondContact OG1-N 3.34Å; T582-G586 PolarHBondContact N-O 3.1Å; T582-G586 WeakPolarHBondContact O-CA 3.48Å; T582-G586 PolarHBondContact O-N 2.93Å; T582-G586 PolarHBondContact OG1-N 3.01Å; T582-G586 PolarHBondContact OG1-O 3.16Å; T582-V702 HydrophobicContact CG2-CG1 3.93Å; T582-V702 HydrophobicContact CG2-CG2 4.1Å; T582-F709 HydrophobicContact CG2-CD2 4.3Å; T582-F709 HydrophobicContact CG2-CE2 3.9Å; T582-F709 HydrophobicContact CG2-CZ 4.02Å
583	E	83.9	Confident	85.4	Confident	169 Å²	169	25.3 Å²	25.3	79%	0.79	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-34.4	-179.3	-63.3	-167.6	153.8	0	0	113.2
584	K	84.1	Confident	84.8	Confident	152 Å²	152	25.7 Å²	25.7	66%	0.661	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-49.4	-178.4	-65.8	-178.3	-178	174.1	0	112.3	T582 N721	T582-K584 VanDerWaalsContact C-N 3.35Å; T582-K584 PolarHBondContact O-N 3.13Å; K584-N721 PolarHBondContact O-ND2 3.04Å
585	H	81.8	Confident	83.9	Confident	30 Å²	30	35.9 Å²	35.9	14%	0.139	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-6.6	-170.6	-58.6	-63.2	0	0	0	114	T582 Y699 D701 F709 K711 N721	T582-H585 WeakPolarHBondContact OG1-CB 3.48Å; T582-H585 PolarHBondContact OG1-N 3.34Å; H585-Y699 AromaticContact CE1-CD1 3.56Å; H585-Y699 AromaticContact CE1-CE1 3.93Å; H585-Y699 AromaticContact ND1-CD1 3.94Å; H585-Y699 AromaticContact NE2-CD1 3.85Å; H585-D701 IonicContact CD2-OD1 2.71Å; H585-D701 IonicContact CD2-OD2 2.65Å; H585-D701 IonicContact CE1-OD1 3.65Å; H585-D701 IonicContact CE1-OD2 2.69Å; H585-D701 IonicContact NE2-OD1 3.1Å; H585-D701 PolarHBondContact NE2-OD1 2.98Å; H585-D701 IonicContact NE2-OD2 2.61Å; H585-D701 PolarHBondContact NE2-OD2 2.94Å; H585-F709 HydrophobicContact CB-CE1 3.81Å; H585-F709 HydrophobicContact CB-CZ 4.41Å; H585-K711 HydrophobicContact CB-CD 4.5Å; H585-K711 WeakPolarHBondContact O-CE 3.42Å; H585-N721 PolarHBondContact O-OD1 3.12Å
586	G	88.3	Confident	83.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.9	-147.3	-178.3	0	0	0	0	0	112.7	T582	T582-G586 PolarHBondContact N-O 3.1Å; T582-G586 WeakPolarHBondContact O-CA 3.48Å; T582-G586 PolarHBondContact O-N 2.93Å; T582-G586 PolarHBondContact OG1-N 3.01Å; T582-G586 PolarHBondContact OG1-O 3.16Å
587	W	90.7	Very high	82.9	Confident	4 Å²	4	41 Å²	41	2%	0.015	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.5	179.5	-71.9	103.7	0	0	0	112.8	R564 P567 K568 L579 Y581 L712 V722 G723	R564-W587 HydrophobicContact CB-CZ2 4.37Å; R564-W587 VanDerWaalsContact O-CH2 3.26Å; R564-W587 WeakPolarHBondContact O-CH2 3.24Å; R564-W587 WeakPolarHBondContact O-CZ2 3.31Å; P567-W587 HydrophobicContact CB-CH2 3.53Å; P567-W587 HydrophobicContact CB-CZ2 4.04Å; P567-W587 HydrophobicContact CB-CZ3 3.9Å; P567-W587 HydrophobicContact CG-CH2 3.65Å; P567-W587 HydrophobicContact CG-CZ2 3.63Å; P567-W587 HydrophobicContact CG-CZ3 4.39Å; K568-W587 HydrophobicContact CG-CH2 4.44Å; L579-W587 HydrophobicContact CB-CE3 4.39Å; L579-W587 HydrophobicContact CB-CZ3 4.45Å; Y581-W587 AromaticContact CD2-CD1 3.79Å; Y581-W587 AromaticContact CD2-CD2 3.82Å; Y581-W587 HydrophobicContact CD2-CD2 3.82Å; Y581-W587 AromaticContact CD2-CE2 3.63Å; Y581-W587 AromaticContact CD2-CG 3.9Å; Y581-W587 HydrophobicContact CD2-CG 3.9Å; Y581-W587 HydrophobicContact CD2-CZ2 4.16Å; Y581-W587 AromaticContact CD2-NE1 3.62Å; Y581-W587 HydrophobicContact CG-CD2 4.42Å; Y581-W587 HydrophobicContact CG-CZ2 4.42Å; W587-L712 HydrophobicContact CB-CD1 3.82Å; W587-L712 HydrophobicContact CB-CG 4.45Å; W587-L712 PolarHBondContact O-N 3.36Å; W587-V722 HydrophobicContact CB-CB 4.33Å; W587-V722 HydrophobicContact CB-CG1 4.39Å; W587-G723 PolarHBondContact NE1-O 3.14Å
588	G	88	Confident	81.8	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-167.1	174	0	0	0	0	0	111.3	L579 H580 F710	L579-G588 CarbonylContact C-O 3.52Å; L579-G588 VanDerWaalsContact CA-O 3.31Å; L579-G588 WeakPolarHBondContact CA-O 3.38Å; L579-G588 WeakPolarHBondContact CD2-O 3.31Å; H580-G588 PolarHBondContact N-O 3.4Å; H580-G588 PolarHBondContact O-N 3.31Å; H580-G588 VanDerWaalsContact O-O 3.13Å; G588-F710 CarbonylContact C-O 3.58Å; G588-F710 WeakPolarHBondContact CA-O 3.41Å
589	Y	88.4	Confident	80.4	Confident	5 Å²	5	49.1 Å²	49.1	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	153.2	177.6	53.7	-84.2	0	0	0	111.4	W574 F577 P578 V591 H693 F710 L712	W574-Y589 HydrophobicContact CB-CD1 4.05Å; W574-Y589 HydrophobicContact CB-CG 4.13Å; W574-Y589 AromaticContact CD1-CD1 3.77Å; W574-Y589 AromaticContact CD1-CE1 3.64Å; W574-Y589 AromaticContact CD1-CZ 3.98Å; W574-Y589 AromaticContact CG-CD1 3.9Å; W574-Y589 HydrophobicContact CG-CD1 3.9Å; W574-Y589 HydrophobicContact CG-CE1 4.17Å; W574-Y589 HydrophobicContact CG-CG 4.37Å; W574-Y589 AromaticContact NE1-CE1 4Å; F577-Y589 HydrophobicContact CB-CD2 3.9Å; F577-Y589 HydrophobicContact CB-CG 4.38Å; F577-Y589 HydrophobicContact CD2-CD2 4.13Å; F577-Y589 HydrophobicContact CD2-CE2 4.4Å; F577-Y589 HydrophobicContact CG-CD2 4.24Å; P578-Y589 VanDerWaalsContact O-CA 3.29Å; P578-Y589 WeakPolarHBondContact O-CA 3.48Å; Y589-V591 HydrophobicContact CD2-CG2 3.59Å; Y589-V591 HydrophobicContact CE2-CG2 3.63Å; Y589-H693 AromaticContact CE2-CE1 3.43Å; Y589-H693 VanDerWaalsContact CE2-CE1 3.43Å; Y589-H693 WeakPolarHBondContact CE2-CE1 3.35Å; Y589-H693 AromaticContact CE2-NE2 3.7Å; Y589-H693 AromaticContact CZ-CE1 3.73Å; Y589-H693 PolarHBondContact OH-CE1 3.02Å; Y589-F710 HydrophobicContact CD1-CB 4.36Å; Y589-F710 HydrophobicContact CD2-CB 4.17Å; Y589-F710 HydrophobicContact CE1-CB 3.8Å; Y589-F710 HydrophobicContact CE2-CB 3.57Å; Y589-F710 HydrophobicContact CE2-CD2 4.24Å; Y589-F710 HydrophobicContact CE2-CG 4.07Å; Y589-F710 PolarHBondContact N-O 3.24Å; Y589-F710 PolarHBondContact O-N 2.89Å; Y589-F710 VanDerWaalsContact O-N 3.11Å; Y589-L712 HydrophobicContact CD1-CD2 3.98Å; Y589-L712 HydrophobicContact CE1-CD2 4.37Å
590	L	86.9	Confident	78.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.8	-176.5	-56.5	178.3	0	0	0	111.1	F577 P578 H580 I614 I704 C707 W708 F709	F577-L590 WeakPolarHBondContact CB-O 3.31Å; F577-L590 WeakPolarHBondContact CD1-O 3.34Å; P578-L590 HydrophobicContact CG-CB 4.24Å; P578-L590 PolarHBondContact O-N 2.82Å; H580-L590 HydrophobicContact CB-CD1 3.98Å; H580-L590 HydrophobicContact CB-CD2 3.99Å; H580-L590 HydrophobicContact CB-CG 3.79Å; L590-I614 HydrophobicContact CB-CD1 4.24Å; L590-I614 HydrophobicContact CD1-CD1 4.14Å; L590-I704 HydrophobicContact CD1-CD1 4.34Å; L590-I704 HydrophobicContact CD2-CD1 3.46Å; L590-I704 VanDerWaalsContact CD2-CD1 3.46Å; L590-C707 HydrophobicContact CB-CB 4.34Å; L590-W708 WeakPolarHBondContact CA-O 3.3Å; L590-F709 HydrophobicContact CD2-CD2 4.03Å
591	V	83.1	Confident	76.6	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	118.6	-178.3	-170.6	0	0	0	0	109	F577 Y589 Y692 H693 C707 W708 F710	F577-V591 HydrophobicContact CD1-CB 4.43Å; F577-V591 HydrophobicContact CD1-CG1 4.29Å; F577-V591 HydrophobicContact CD1-CG2 4.26Å; F577-V591 HydrophobicContact CD2-CG2 4.33Å; F577-V591 HydrophobicContact CE1-CB 4.4Å; F577-V591 HydrophobicContact CE1-CG1 3.79Å; F577-V591 HydrophobicContact CE1-CG2 4.46Å; F577-V591 HydrophobicContact CG-CG2 4.19Å; F577-V591 HydrophobicContact CZ-CG1 3.93Å; Y589-V591 HydrophobicContact CD2-CG2 3.59Å; Y589-V591 HydrophobicContact CE2-CG2 3.63Å; V591-Y692 HydrophobicContact CG1-CD2 4.45Å; V591-Y692 HydrophobicContact CG1-CE2 3.31Å; V591-Y692 WeakPolarHBondContact CG1-OH 3.4Å; V591-Y692 PolarHBondContact O-OH 3.36Å; V591-H693 HydrophobicContact CG1-CB 3.85Å; V591-C707 CarbonylContact O-C 3.54Å; V591-C707 WeakPolarHBondContact O-CA 3.37Å; V591-W708 HydrophobicContact CB-CB 4.42Å; V591-W708 PolarHBondContact N-O 3.09Å; V591-W708 PolarHBondContact O-N 3.47Å; V591-F710 HydrophobicContact CB-CD2 4.13Å; V591-F710 HydrophobicContact CB-CE2 4.01Å; V591-F710 HydrophobicContact CG2-CD2 3.46Å; V591-F710 VanDerWaalsContact CG2-CD2 3.46Å; V591-F710 HydrophobicContact CG2-CE2 3.75Å; V591-F710 HydrophobicContact CG2-CG 4.47Å
592	P	81.3	Confident	74.6	Confident	14 Å²	14	65.7 Å²	65.7	9%	0.091	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139	-172.6	31.9	-34.2	0	0	0	111.4	I614 E615 Y692	P592-I614 HydrophobicContact CB-CG2 4.23Å; P592-I614 HydrophobicContact CG-CG2 3.99Å; P592-E615 HydrophobicContact CB-CB 4.18Å; P592-E615 HydrophobicContact CG-CB 4.16Å; P592-E615 HydrophobicContact CG-CG 4.48Å; P592-Y692 PolarHBondContact O-OH 3.32Å
593	G	72.6	Confident	72.6	Confident	42 Å²	42	71.9 Å²	71.9	43%	0.433	36%	0.355	S	S	.	.			trans	136.7	10.2	178.7	0	0	0	0	0	115.6	G706	G593-G706 PolarHBondContact N-O 3.25Å
594	R	75.9	Confident	70.7	Confident	16 Å²	16	71.7 Å²	71.7	6%	0.06	36%	0.359	C	S	.	.			trans	-77.4	120.6	175.4	-168.4	166.8	-179.6	-169.1	-3.2	109.4	D596 N597 L598 V702 D703 G706 C707 W708	R594-D596 WeakPolarHBondContact CG-OD1 3.45Å; R594-D596 IonicContact CZ-OD2 2.72Å; R594-D596 IonicContact NE-OD1 3.94Å; R594-D596 PolarHBondContact NE-OD1 2.87Å; R594-D596 IonicContact NE-OD2 3.74Å; R594-D596 PolarHBondContact NE-OD2 3.47Å; R594-D596 IonicContact NH2-OD2 3.01Å; R594-D596 PolarHBondContact NH2-OD2 2.65Å; R594-N597 WeakPolarHBondContact CD-ND2 3.38Å; R594-N597 WeakPolarHBondContact CG-OD1 3.5Å; R594-N597 PolarHBondContact O-OD1 2.96Å; R594-L598 VanDerWaalsContact O-CD1 3.26Å; R594-L598 WeakPolarHBondContact O-CD1 3.49Å; R594-L598 WeakPolarHBondContact O-CG 3.39Å; R594-V702 PolarHBondContact NH1-O 3.1Å; R594-D703 IonicContact CZ-OD1 2.61Å; R594-D703 IonicContact NH1-OD1 3.12Å; R594-D703 PolarHBondContact NH1-OD1 3.4Å; R594-D703 IonicContact NH2-OD1 3.92Å; R594-G706 PolarHBondContact N-O 3.01Å; R594-G706 VanDerWaalsContact N-O 3.09Å; R594-G706 WeakPolarHBondContact O-CA 3.15Å; R594-C707 VanDerWaalsContact CD-O 3.31Å; R594-C707 WeakPolarHBondContact CD-O 3.42Å; R594-W708 HydrophobicContact CB-CD2 3.94Å; R594-W708 HydrophobicContact CB-CG 4.13Å; R594-W708 HydrophobicContact CB-CZ2 4.09Å; R594-W708 HydrophobicContact CG-CD2 3.85Å; R594-W708 HydrophobicContact CG-CE3 4.04Å; R594-W708 HydrophobicContact CG-CH2 3.79Å; R594-W708 HydrophobicContact CG-CZ2 3.62Å; R594-W708 HydrophobicContact CG-CZ3 4Å
595	R	68.8	Low	68.8	Low	215 Å²	215	70.7 Å²	70.7	81%	0.811	36%	0.36	S	S	*	.			trans	-107.4	-21.4	-174.4	-66.7	-173.2	-179.6	-176.8	0.4	113.8	N597 L598	R595-N597 PolarHBondContact O-N 3.01Å; R595-L598 PolarHBondContact O-N 3.31Å
596	D	69	Low	67.3	Low	92 Å²	92	76.5 Å²	76.5	49%	0.492	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.3	178.4	53.8	-49.9	0	0	0	113.1	R594	R594-D596 WeakPolarHBondContact CG-OD1 3.45Å; R594-D596 IonicContact CZ-OD2 2.72Å; R594-D596 IonicContact NE-OD1 3.94Å; R594-D596 PolarHBondContact NE-OD1 2.87Å; R594-D596 IonicContact NE-OD2 3.74Å; R594-D596 PolarHBondContact NE-OD2 3.47Å; R594-D596 IonicContact NH2-OD2 3.01Å; R594-D596 PolarHBondContact NH2-OD2 2.65Å
597	N	68.5	Low	65.4	Low	28 Å²	28	80 Å²	80	15%	0.15	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	15.8	-178.8	73.3	-8.4	0	0	0	114.2	R594 R595 D703 I704 G706	R594-N597 WeakPolarHBondContact CD-ND2 3.38Å; R594-N597 WeakPolarHBondContact CG-OD1 3.5Å; R594-N597 PolarHBondContact O-OD1 2.96Å; R595-N597 PolarHBondContact O-N 3.01Å; N597-D703 WeakPolarHBondContact CB-OD1 3.33Å; N597-D703 PolarHBondContact ND2-OD1 2.83Å; N597-I704 VanDerWaalsContact ND2-C 3.33Å; N597-I704 PolarHBondContact ND2-O 3.3Å; N597-G706 PolarHBondContact OD1-N 3.38Å
598	L	65.1	Low	63.7	Low	70 Å²	70	86.9 Å²	86.9	37%	0.366	45%	0.448	S	S	.	.			trans	-99.9	113.3	174.5	-70.5	173.7	0	0	0	109.4	R594 R595 P600	R594-L598 VanDerWaalsContact O-CD1 3.26Å; R594-L598 WeakPolarHBondContact O-CD1 3.49Å; R594-L598 WeakPolarHBondContact O-CG 3.39Å; R595-L598 PolarHBondContact O-N 3.31Å; L598-P600 WeakPolarHBondContact O-CD 3.43Å
599	N	58.2	Low	62.3	Low	106 Å²	106	86.9 Å²	86.9	57%	0.567	45%	0.448	S	S	*	.			trans	-72.1	122.7	171.7	-90.2	-21.5	0	0	0	110.4	Q601 E602	N599-Q601 PolarHBondContact O-N 3.49Å; N599-E602 HydrophobicContact CB-CB 4.24Å; N599-E602 HydrophobicContact CB-CG 4.24Å; N599-E602 WeakPolarHBondContact CB-OE2 3.24Å; N599-E602 PolarHBondContact ND2-OE2 2.9Å; N599-E602 PolarHBondContact O-N 2.87Å
600	P	53.9	Low	61.2	Low	112 Å²	112	87.1 Å²	87.1	73%	0.727	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.8	179.1	-19.4	31.2	0	0	0	114.6	L598	L598-P600 WeakPolarHBondContact O-CD 3.43Å
601	Q	45	Very low	60.4	Low	195 Å²	195	88.6 Å²	88.6	91%	0.911	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-7.2	-177.2	-72.4	-174.7	-23.7	0	0	114.1	N599	N599-Q601 PolarHBondContact O-N 3.49Å
602	E	47	Very low	59.8	Low	111 Å²	111	96.6 Å²	96.6	52%	0.519	49%	0.488	S	S	.	.			trans	-103.4	22.6	-178.9	-72.5	176.6	151.8	0	0	112.6	N599 N604	N599-E602 HydrophobicContact CB-CB 4.24Å; N599-E602 HydrophobicContact CB-CG 4.24Å; N599-E602 WeakPolarHBondContact CB-OE2 3.24Å; N599-E602 PolarHBondContact ND2-OE2 2.9Å; N599-E602 PolarHBondContact O-N 2.87Å; E602-N604 PolarHBondContact O-N 2.81Å; E602-N604 VanDerWaalsContact O-N 3.11Å
603	E	44.7	Very low	59.6	Low	147 Å²	147	97.1 Å²	97.1	69%	0.687	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-13.6	175.8	-73.9	-169.5	150.6	0	0	113.8
604	N	43.7	Very low	59.8	Low	165 Å²	165	95.2 Å²	95.2	88%	0.882	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.3	6.7	-176.3	-73.4	-38.2	0	0	0	115.1	E602	E602-N604 PolarHBondContact O-N 2.81Å; E602-N604 VanDerWaalsContact O-N 3.11Å
605	L	44.5	Very low	59.9	Low	130 Å²	130	98.3 Å²	98.3	68%	0.681	49%	0.485	S	S	*	.	S	Bend	trans	-113.7	129.1	173.7	-154.3	75.9	0	0	0	108.8	S607	L605-S607 PolarHBondContact O-N 3.15Å
606	E	49.8	Very low	60.3	Low	152 Å²	152	95 Å²	95	71%	0.71	47%	0.473	S	S	*	.			trans	-30.2	98	-178.3	-72.2	-177	172	0	0	112.9	K451 L608	K451-E606 IonicContact NZ-OE1 3.78Å; K451-E606 IonicContact NZ-OE2 2.85Å; K451-E606 PolarHBondContact NZ-OE2 3.41Å; E606-L608 PolarHBondContact O-N 3.4Å
607	S	47.4	Very low	60.6	Low	74 Å²	74	92.1 Å²	92.1	52%	0.517	46%	0.457	S	S	.	.			trans	-65.3	121.7	-178.7	64.5	0	0	0	0	109.5	L605 C609	L605-S607 PolarHBondContact O-N 3.15Å; S607-C609 PolarHBondContact O-N 3.44Å
608	L	55.2	Low	60.9	Low	149 Å²	149	94.2 Å²	94.2	78%	0.78	46%	0.464	S	S	*	.	S	Bend	trans	-59.5	-16.1	-177	-78.1	154.7	0	0	0	114.9	W457 E606	W457-L608 VanDerWaalsContact CZ3-O 3.25Å; W457-L608 WeakPolarHBondContact CZ3-O 3.18Å; E606-L608 PolarHBondContact O-N 3.4Å
609	C	58.6	Low	61.4	Low	0 Å²	0	96 Å²	96	0%	0	47%	0.468	C	S	.	.	S	Bend	trans	-132	132.2	178.1	-176.6	0	0	0	0	111.6	W457 S607 H611 I704	W457-C609 HydrophobicContact CH2-CB 4.21Å; W457-C609 HydrophobicContact CZ2-CB 4.18Å; S607-C609 PolarHBondContact O-N 3.44Å; C609-H611 PolarHBondContact O-N 3.16Å; C609-H611 PolarHBondContact O-ND1 3.24Å; C609-I704 HydrophobicContact CB-CG2 4Å; C609-I704 WeakPolarHBondContact SG-CG2 3.47Å
610	P	66.8	Low	62.3	Low	11 Å²	11	95.2 Å²	95.2	7%	0.071	46%	0.461	C	S	.	.			trans	-83	54.5	-174.1	36.2	-38.2	0	0	0	112.6	P454 R612 V613 I614	P454-P610 HydrophobicContact CB-CG 4.1Å; P610-R612 PolarHBondContact O-N 3.02Å; P610-R612 VanDerWaalsContact O-N 3.14Å; P610-V613 HydrophobicContact CB-CB 4Å; P610-V613 HydrophobicContact CB-CG2 3.86Å; P610-V613 WeakPolarHBondContact O-CA 3.49Å; P610-V613 WeakPolarHBondContact O-CB 3.49Å; P610-V613 PolarHBondContact O-N 3.21Å; P610-I614 PolarHBondContact O-N 3.08Å; P610-I614 VanDerWaalsContact O-N 3.13Å
611	H	70.4	Confident	63.2	Low	32 Å²	32	91.8 Å²	91.8	15%	0.148	43%	0.434	C	S	.	.	H	α-helix	trans	-55.6	-33.3	-178.1	67.4	-81.9	0	0	0	113.5	C609 I614 E615	C609-H611 PolarHBondContact O-N 3.16Å; C609-H611 PolarHBondContact O-ND1 3.24Å; H611-I614 WeakPolarHBondContact O-CB 3.34Å; H611-I614 PolarHBondContact O-N 3.38Å; H611-E615 PolarHBondContact O-N 3.34Å
612	R	70.4	Confident	64.6	Low	168 Å²	168	84.6 Å²	84.6	63%	0.634	41%	0.405	S	S	*	.	H	α-helix	trans	-66.3	-34.2	174.1	-65.1	-173.8	178.5	176.4	-0.8	113.1	P610 E615 R616	P610-R612 PolarHBondContact O-N 3.02Å; P610-R612 VanDerWaalsContact O-N 3.14Å; R612-E615 PolarHBondContact O-N 3.4Å; R612-R616 PolarHBondContact O-N 3.2Å; R612-R616 VanDerWaalsContact O-N 3.08Å
613	V	75.2	Confident	65.9	Low	25 Å²	25	85.1 Å²	85.1	15%	0.152	41%	0.407	C	S	.	.	H	α-helix	trans	-70.4	-39.6	175.6	179.7	0	0	0	0	109.9	P454 P610 E615 R616 I617	P454-V613 HydrophobicContact CG-CG1 4.28Å; P610-V613 HydrophobicContact CB-CB 4Å; P610-V613 HydrophobicContact CB-CG2 3.86Å; P610-V613 WeakPolarHBondContact O-CA 3.49Å; P610-V613 WeakPolarHBondContact O-CB 3.49Å; P610-V613 PolarHBondContact O-N 3.21Å; V613-E615 VanDerWaalsContact C-N 3.34Å; V613-E615 PolarHBondContact O-N 2.9Å; V613-R616 PolarHBondContact O-N 3.31Å; V613-I617 HydrophobicContact CG1-CD1 3.93Å; V613-I617 HydrophobicContact CG1-CG1 4.46Å; V613-I617 VanDerWaalsContact O-CG1 3.3Å; V613-I617 WeakPolarHBondContact O-CG1 3.31Å; V613-I617 PolarHBondContact O-N 3.26Å
614	I	78.1	Confident	67	Low	1 Å²	1	84.1 Å²	84.1	1%	0.005	40%	0.403	C	S	.	.	H	α-helix	trans	-61.3	-43.3	174.7	-58.9	177.8	0	0	0	110.7	P454 P578 L590 P592 P610 H611 R616 I617 Y618	P454-I614 HydrophobicContact CB-CD1 4.25Å; P454-I614 HydrophobicContact CB-CG1 3.7Å; P578-I614 HydrophobicContact CG-CD1 3.97Å; P578-I614 HydrophobicContact CG-CG1 3.98Å; P578-I614 HydrophobicContact CG-CG2 3.87Å; L590-I614 HydrophobicContact CB-CD1 4.24Å; L590-I614 HydrophobicContact CD1-CD1 4.14Å; P592-I614 HydrophobicContact CB-CG2 4.23Å; P592-I614 HydrophobicContact CG-CG2 3.99Å; P610-I614 PolarHBondContact O-N 3.08Å; P610-I614 VanDerWaalsContact O-N 3.13Å; H611-I614 WeakPolarHBondContact O-CB 3.34Å; H611-I614 PolarHBondContact O-N 3.38Å; I614-R616 PolarHBondContact O-N 2.86Å; I614-I617 PolarHBondContact O-N 2.96Å; I614-Y618 PolarHBondContact O-N 3.35Å
615	E	77.3	Confident	67.9	Low	82 Å²	82	78.3 Å²	78.3	38%	0.383	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-40.6	175.7	-164.8	-169.5	161.5	0	0	112.4	P592 H611 R612 V613 Y618 K619	P592-E615 HydrophobicContact CB-CB 4.18Å; P592-E615 HydrophobicContact CG-CB 4.16Å; P592-E615 HydrophobicContact CG-CG 4.48Å; H611-E615 PolarHBondContact O-N 3.34Å; R612-E615 PolarHBondContact O-N 3.4Å; V613-E615 VanDerWaalsContact C-N 3.34Å; V613-E615 PolarHBondContact O-N 2.9Å; E615-Y618 PolarHBondContact O-N 3.26Å; E615-K619 WeakPolarHBondContact O-CG 3.33Å; E615-K619 PolarHBondContact O-N 3.07Å; E615-K619 VanDerWaalsContact OE1-CE 3.32Å; E615-K619 WeakPolarHBondContact OE1-CE 3.43Å; E615-K619 IonicContact OE1-NZ 3.24Å; E615-K619 PolarHBondContact OE1-NZ 3.26Å
616	R	77.3	Confident	68.4	Low	145 Å²	145	76.2 Å²	76.2	55%	0.547	37%	0.368	S	S	.	.	H	α-helix	trans	-64.2	-46.3	175.5	-176.7	178	62.9	-156.6	-3.1	112	R612 V613 I614 Y618 K619 E620	R612-R616 PolarHBondContact O-N 3.2Å; R612-R616 VanDerWaalsContact O-N 3.08Å; V613-R616 PolarHBondContact O-N 3.31Å; I614-R616 PolarHBondContact O-N 2.86Å; R616-Y618 VanDerWaalsContact C-N 3.29Å; R616-Y618 PolarHBondContact O-N 2.92Å; R616-K619 PolarHBondContact O-N 2.89Å; R616-K619 VanDerWaalsContact O-N 3.17Å; R616-E620 WeakPolarHBondContact O-CG 3.19Å; R616-E620 PolarHBondContact O-N 3.27Å
617	I	75.1	Confident	68.3	Low	31 Å²	31	77.7 Å²	77.7	16%	0.159	37%	0.372	C	S	.	.	H	α-helix	trans	-59	-42.7	177.6	-70.5	165.2	0	0	0	110.8	P454 W455 V613 I614 E620 Y621	P454-I617 HydrophobicContact CG-CD1 3.58Å; W455-I617 HydrophobicContact CH2-CD1 3.97Å; W455-I617 HydrophobicContact CZ3-CD1 4.18Å; V613-I617 HydrophobicContact CG1-CD1 3.93Å; V613-I617 HydrophobicContact CG1-CG1 4.46Å; V613-I617 VanDerWaalsContact O-CG1 3.3Å; V613-I617 WeakPolarHBondContact O-CG1 3.31Å; V613-I617 PolarHBondContact O-N 3.26Å; I614-I617 PolarHBondContact O-N 2.96Å; I617-E620 PolarHBondContact O-N 3.11Å; I617-Y621 WeakPolarHBondContact O-CB 3.1Å; I617-Y621 PolarHBondContact O-N 3.15Å
618	Y	75.6	Confident	67.9	Low	73 Å²	73	81.2 Å²	81.2	29%	0.286	38%	0.38	S	S	.	.	H	α-helix	trans	-65.7	-40.5	177.2	-179.1	-111.7	0	0	0	112.3	F577 I614 E615 R616 Y621 C622	F577-Y618 HydrophobicContact CD1-CD2 4.01Å; F577-Y618 HydrophobicContact CD1-CG 4.36Å; F577-Y618 HydrophobicContact CE1-CD1 4.13Å; F577-Y618 AromaticContact CE1-CD2 3.35Å; F577-Y618 HydrophobicContact CE1-CD2 3.35Å; F577-Y618 HydrophobicContact CE1-CE1 4.39Å; F577-Y618 AromaticContact CE1-CE2 3.68Å; F577-Y618 HydrophobicContact CE1-CE2 3.68Å; F577-Y618 AromaticContact CE1-CG 3.6Å; F577-Y618 HydrophobicContact CE1-CG 3.6Å; F577-Y618 HydrophobicContact CE2-CD2 4.02Å; F577-Y618 AromaticContact CE2-CE2 3.66Å; F577-Y618 HydrophobicContact CE2-CE2 3.66Å; F577-Y618 HydrophobicContact CZ-CD1 4.32Å; F577-Y618 AromaticContact CZ-CD2 3.37Å; F577-Y618 HydrophobicContact CZ-CD2 3.37Å; F577-Y618 HydrophobicContact CZ-CE1 4.14Å; F577-Y618 AromaticContact CZ-CE2 3.15Å; F577-Y618 HydrophobicContact CZ-CE2 3.15Å; F577-Y618 AromaticContact CZ-CG 3.97Å; F577-Y618 HydrophobicContact CZ-CG 3.97Å; F577-Y618 AromaticContact CZ-CZ 3.57Å; I614-Y618 PolarHBondContact O-N 3.35Å; E615-Y618 PolarHBondContact O-N 3.26Å; R616-Y618 VanDerWaalsContact C-N 3.29Å; R616-Y618 PolarHBondContact O-N 2.92Å; Y618-Y621 HydrophobicContact CD2-CD1 4.41Å; Y618-Y621 HydrophobicContact CE2-CD1 4.41Å; Y618-Y621 WeakPolarHBondContact O-CB 3.21Å; Y618-Y621 PolarHBondContact O-N 3.47Å; Y618-C622 VanDerWaalsContact CZ-SG 3.6Å; Y618-C622 PolarHBondContact O-N 3.43Å; Y618-C622 PolarHBondContact O-SG 3.22Å; Y618-C622 VanDerWaalsContact O-SG 3.35Å
619	K	75.6	Confident	66.5	Low	107 Å²	107	81.4 Å²	81.4	47%	0.465	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-45.8	174	-75.8	173.4	-176.5	165.7	0	112	E615 R616 Y621 C622 E623	E615-K619 WeakPolarHBondContact O-CG 3.33Å; E615-K619 PolarHBondContact O-N 3.07Å; E615-K619 VanDerWaalsContact OE1-CE 3.32Å; E615-K619 WeakPolarHBondContact OE1-CE 3.43Å; E615-K619 IonicContact OE1-NZ 3.24Å; E615-K619 PolarHBondContact OE1-NZ 3.26Å; R616-K619 PolarHBondContact O-N 2.89Å; R616-K619 VanDerWaalsContact O-N 3.17Å; K619-Y621 VanDerWaalsContact C-N 3.32Å; K619-Y621 PolarHBondContact O-N 2.94Å; K619-C622 PolarHBondContact O-N 3.45Å; K619-E623 WeakPolarHBondContact O-CG 3.45Å; K619-E623 PolarHBondContact O-N 3.19Å
620	E	75.9	Confident	65.1	Low	89 Å²	89	86.8 Å²	86.8	42%	0.416	41%	0.412	S	S	.	.	H	α-helix	trans	-59.2	-42.6	175.2	-71.9	171.4	-166.2	0	0	111.7	R616 I617 E623 Q624	R616-E620 WeakPolarHBondContact O-CG 3.19Å; R616-E620 PolarHBondContact O-N 3.27Å; I617-E620 PolarHBondContact O-N 3.11Å; E620-E623 PolarHBondContact O-N 2.93Å; E620-Q624 WeakPolarHBondContact O-CB 3.39Å; E620-Q624 VanDerWaalsContact O-CG 3.28Å; E620-Q624 WeakPolarHBondContact O-CG 3.48Å; E620-Q624 PolarHBondContact O-N 2.83Å
621	Y	74.4	Confident	63.4	Low	40 Å²	40	95.4 Å²	95.4	16%	0.157	45%	0.451	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175	173.4	-96.7	0	0	0	112.4	D575 I617 Y618 K619 Q624 N625	D575-Y621 VanDerWaalsContact O-CE1 3.28Å; D575-Y621 WeakPolarHBondContact O-CE1 3.31Å; I617-Y621 WeakPolarHBondContact O-CB 3.1Å; I617-Y621 PolarHBondContact O-N 3.15Å; Y618-Y621 HydrophobicContact CD2-CD1 4.41Å; Y618-Y621 HydrophobicContact CE2-CD1 4.41Å; Y618-Y621 WeakPolarHBondContact O-CB 3.21Å; Y618-Y621 PolarHBondContact O-N 3.47Å; K619-Y621 VanDerWaalsContact C-N 3.32Å; K619-Y621 PolarHBondContact O-N 2.94Å; Y621-Q624 PolarHBondContact O-N 3.39Å; Y621-N625 WeakPolarHBondContact CD2-ND2 3.29Å; Y621-N625 WeakPolarHBondContact CE1-ND2 3.47Å; Y621-N625 WeakPolarHBondContact CE2-ND2 3.37Å; Y621-N625 PolarHBondContact O-N 3.48Å; Y621-N625 PolarHBondContact O-ND2 3.08Å; Y621-N625 PolarHBondContact OH-ND2 2.82Å
622	C	73.8	Confident	61.3	Low	44 Å²	44	102 Å²	102	30%	0.297	48%	0.482	S	S	.	.	H	α-helix	trans	-63.1	-43.1	175.6	-70.2	0	0	0	0	112.1	Y618 K619 Q624 S626	Y618-C622 VanDerWaalsContact CZ-SG 3.6Å; Y618-C622 PolarHBondContact O-N 3.43Å; Y618-C622 PolarHBondContact O-SG 3.22Å; Y618-C622 VanDerWaalsContact O-SG 3.35Å; K619-C622 PolarHBondContact O-N 3.45Å; C622-Q624 PolarHBondContact O-N 2.78Å; C622-S626 WeakPolarHBondContact O-CB 3.35Å; C622-S626 PolarHBondContact O-N 3.37Å; C622-S626 PolarHBondContact O-OG 2.71Å
623	E	74.3	Confident	59.2	Low	123 Å²	123	101.2 Å²	101.2	58%	0.575	49%	0.489	S	S	*	.	H	α-helix	trans	-65.7	-36.3	178.8	-72.7	176	-170.9	0	0	112.8	K619 E620	K619-E623 WeakPolarHBondContact O-CG 3.45Å; K619-E623 PolarHBondContact O-N 3.19Å; E620-E623 PolarHBondContact O-N 2.93Å
624	Q	67.7	Low	56.7	Low	126 Å²	126	106.1 Å²	106.1	59%	0.589	52%	0.515	S	S	*	.	H	α-helix	trans	-69.1	-48.2	176.2	-72.9	173	7.8	0	0	111.8	E620 Y621 C622 S626 K627	E620-Q624 WeakPolarHBondContact O-CB 3.39Å; E620-Q624 VanDerWaalsContact O-CG 3.28Å; E620-Q624 WeakPolarHBondContact O-CG 3.48Å; E620-Q624 PolarHBondContact O-N 2.83Å; Y621-Q624 PolarHBondContact O-N 3.39Å; C622-Q624 PolarHBondContact O-N 2.78Å; Q624-S626 VanDerWaalsContact C-N 3.28Å; Q624-S626 PolarHBondContact O-N 3.29Å; Q624-K627 PolarHBondContact O-N 3.34Å
625	N	62.7	Low	54.4	Low	42 Å²	42	112.4 Å²	112.4	23%	0.225	56%	0.556	C	S	.	*	H	α-helix	trans	-70.8	-21.6	-179.9	-69.9	-37.5	0	0	0	113.6	Y621 K627	Y621-N625 WeakPolarHBondContact CD2-ND2 3.29Å; Y621-N625 WeakPolarHBondContact CE1-ND2 3.47Å; Y621-N625 WeakPolarHBondContact CE2-ND2 3.37Å; Y621-N625 PolarHBondContact O-N 3.48Å; Y621-N625 PolarHBondContact O-ND2 3.08Å; Y621-N625 PolarHBondContact OH-ND2 2.82Å; N625-K627 PolarHBondContact O-N 3.11Å
626	S	55.3	Low	51.9	Low	87 Å²	87	113.1 Å²	113.1	61%	0.608	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.5	-17.9	174.6	-58.4	0	0	0	0	113.1	C622 Q624	C622-S626 WeakPolarHBondContact O-CB 3.35Å; C622-S626 PolarHBondContact O-N 3.37Å; C622-S626 PolarHBondContact O-OG 2.71Å; Q624-S626 VanDerWaalsContact C-N 3.28Å; Q624-S626 PolarHBondContact O-N 3.29Å
627	K	48.3	Very low	49.4	Very low	183 Å²	183	112.8 Å²	112.8	80%	0.796	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-11.2	178.3	-68.6	176.5	-177.7	173.3	0	113.9	Q624 N625	Q624-K627 PolarHBondContact O-N 3.34Å; N625-K627 PolarHBondContact O-N 3.11Å
628	E	38.5	Very low	47	Very low	147 Å²	147	120 Å²	120	69%	0.687	61%	0.612	S	S	*	*	S	Bend	trans	-103	4.9	-178.2	-72.4	-172.3	160.8	0	0	113.9
629	Q	26.1	Very low	44.6	Very low	154 Å²	154	121.5 Å²	121.5	72%	0.72	63%	0.631	S	S	*	*			trans	-73.9	129.6	173.3	-75.7	-168.9	-13.7	0	0	111.1
630	P	28.5	Very low	42.1	Very low	113 Å²	113	122.8 Å²	122.8	73%	0.734	65%	0.647	S	S	*	*			trans	-64.5	137.6	158	-0.7	15.5	0	0	0	108.7	H632	P630-H632 PolarHBondContact O-N 3.06Å; P630-H632 VanDerWaalsContact O-N 3.08Å
631	E	31.5	Very low	39.6	Very low	191 Å²	191	128 Å²	128	89%	0.893	66%	0.663	S	S	*	*	S	Bend	trans	-52.6	112.4	173.7	-71	-178.9	154.2	0	0	111.3
632	H	26.5	Very low	37.3	Very low	171 Å²	171	132.2 Å²	132.2	79%	0.792	69%	0.693	S	S	*	*			trans	175.5	123.4	154.4	-94.4	-64.1	0	0	0	105.3	P630	P630-H632 PolarHBondContact O-N 3.06Å; P630-H632 VanDerWaalsContact O-N 3.08Å
633	L	25.2	Very low	35.2	Very low	151 Å²	151	135 Å²	135	79%	0.791	71%	0.706	S	S	*	*			cis	-146.8	143.9	22.7	-79.5	130.9	0	0	0	108.7
634	N	23.2	Very low	33	Very low	128 Å²	128	131.7 Å²	131.7	68%	0.684	70%	0.695	S	S	*	*			trans	-58.5	138.6	165.1	-74	-37.8	0	0	0	110.3	S636	N634-S636 PolarHBondContact O-N 3.05Å
635	P	28.9	Very low	31.1	Very low	134 Å²	134	130.2 Å²	130.2	87%	0.87	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	41.7	174.3	32.9	-33.6	0	0	0	112.2
636	S	26.3	Very low	29.5	Very low	97 Å²	97	132 Å²	132	68%	0.678	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.3	6.7	-171.9	-39	0	0	0	0	116.1	N634	N634-S636 PolarHBondContact O-N 3.05Å
637	D	24	Very low	28.3	Very low	138 Å²	138	133.4 Å²	133.4	74%	0.738	70%	0.7	S	S	*	*			trans	-110.8	103.9	169.5	-69.8	-35.2	0	0	0	108.5	P639	D637-P639 WeakPolarHBondContact O-CD 3.28Å
638	E	25.2	Very low	27.3	Very low	181 Å²	181	127.8 Å²	127.8	85%	0.846	68%	0.68	S	S	*	*			trans	-52.6	124.9	164.9	-71.1	-172.1	155.6	0	0	109.4	V640	E638-V640 PolarHBondContact O-N 3.26Å
639	P	24.7	Very low	26.9	Very low	105 Å²	105	127.8 Å²	127.8	68%	0.682	68%	0.678	S	S	*	*			trans	-71.8	113.6	162.4	-2.4	18.2	0	0	0	107.2	D637 W641	D637-P639 WeakPolarHBondContact O-CD 3.28Å; P639-W641 PolarHBondContact O-N 3.5Å; P639-W641 VanDerWaalsContact O-N 3.1Å
640	V	22.6	Very low	27.1	Very low	134 Å²	134	122.4 Å²	122.4	81%	0.812	66%	0.656	S	S	*	*			trans	-55.2	114.1	167.3	173	0	0	0	0	108.5	E638	E638-V640 PolarHBondContact O-N 3.26Å
641	W	24.4	Very low	27	Very low	198 Å²	198	123.8 Å²	123.8	75%	0.75	65%	0.652	S	S	*	*			trans	-70.7	128.2	179	-74.3	11.1	0	0	0	112	P639	P639-W641 PolarHBondContact O-N 3.5Å; P639-W641 VanDerWaalsContact O-N 3.1Å
642	T	26	Very low	26.9	Very low	130 Å²	130	120.9 Å²	120.9	80%	0.798	64%	0.639	S	S	*	*	S	Bend	trans	-139.8	126.3	145.3	48.6	0	0	0	0	104.6
643	D	29.8	Very low	27.2	Very low	103 Å²	103	118.1 Å²	118.1	55%	0.551	63%	0.63	S	S	*	*			cis	-124.8	114.6	7.8	-80.8	-43.8	0	0	0	110	T645	D643-T645 VanDerWaalsContact C-N 3.26Å; D643-T645 PolarHBondContact O-N 3.41Å
644	S	27.6	Very low	27.4	Very low	52 Å²	52	112.7 Å²	112.7	36%	0.364	60%	0.604	S	S	.	*	H	α-helix	trans	-67.2	-24.9	177.1	-177.5	0	0	0	0	112.9	V646 W647 T648	S644-V646 PolarHBondContact O-N 3.46Å; S644-W647 PolarHBondContact O-N 3.38Å; S644-T648 PolarHBondContact O-N 3.35Å; S644-T648 PolarHBondContact O-OG1 2.86Å
645	T	27.4	Very low	27.6	Very low	96 Å²	96	110.6 Å²	110.6	59%	0.589	60%	0.6	S	S	*	*	H	α-helix	trans	-71.8	-22.9	-170	47.5	0	0	0	0	115.2	D643	D643-T645 VanDerWaalsContact C-N 3.26Å; D643-T645 PolarHBondContact O-N 3.41Å
646	V	29.6	Very low	27.9	Very low	78 Å²	78	107.6 Å²	107.6	47%	0.473	58%	0.576	S	S	.	*	H	α-helix	trans	-78.5	-38.4	177	179.5	0	0	0	0	110.6	S644 V650	S644-V646 PolarHBondContact O-N 3.46Å; V646-V650 VanDerWaalsContact O-CG2 3.26Å; V646-V650 WeakPolarHBondContact O-CG2 3.48Å; V646-V650 PolarHBondContact O-N 3.23Å; V646-V650 VanDerWaalsContact O-N 3.15Å
647	W	29.6	Very low	28	Very low	118 Å²	118	107.9 Å²	107.9	45%	0.447	57%	0.566	S	S	.	*	H	α-helix	trans	-75.4	-36.3	-176.4	-60	109.9	0	0	0	112.6	S644 V650 E651 Q944 L948	S644-W647 PolarHBondContact O-N 3.38Å; W647-V650 PolarHBondContact O-N 3.25Å; W647-E651 PolarHBondContact O-N 2.98Å; W647-Q944 HydrophobicContact CZ3-CG 4.26Å; W647-L948 HydrophobicContact CH2-CD1 4.08Å; W647-L948 HydrophobicContact CH2-CD2 4.45Å; W647-L948 HydrophobicContact CZ3-CD1 4.21Å; W647-L948 HydrophobicContact CZ3-CD2 4.42Å
648	T	27.7	Very low	28	Very low	64 Å²	64	109 Å²	109	39%	0.393	57%	0.567	S	S	.	*	H	α-helix	trans	-65.8	-39.5	173.5	-27.6	0	0	0	0	111.8	S644 V650 E651 E652	S644-T648 PolarHBondContact O-N 3.35Å; S644-T648 PolarHBondContact O-OG1 2.86Å; T648-V650 PolarHBondContact O-N 3.39Å; T648-E651 PolarHBondContact O-N 3.25Å; T648-E652 WeakPolarHBondContact O-CB 3.32Å; T648-E652 WeakPolarHBondContact O-CG 3.28Å; T648-E652 PolarHBondContact O-N 3.46Å
649	K	30	Very low	27.9	Very low	147 Å²	147	108.1 Å²	108.1	64%	0.639	56%	0.561	S	S	*	*	H	α-helix	trans	-65.3	-36.5	174.8	-86.4	-178.4	173.1	179.7	0	112.6	L653	K649-L653 WeakPolarHBondContact O-CB 3.33Å; K649-L653 WeakPolarHBondContact O-CD1 3.43Å; K649-L653 WeakPolarHBondContact O-CG 3.38Å; K649-L653 PolarHBondContact O-N 3.36Å; K649-L653 VanDerWaalsContact O-N 3.11Å
650	V	30.2	Very low	28	Very low	41 Å²	41	108.8 Å²	108.8	25%	0.248	57%	0.565	C	S	.	*	H	α-helix	trans	-72.6	-36.3	178.7	171.7	0	0	0	0	111.8	V646 W647 T648 S654	V646-V650 VanDerWaalsContact O-CG2 3.26Å; V646-V650 WeakPolarHBondContact O-CG2 3.48Å; V646-V650 PolarHBondContact O-N 3.23Å; V646-V650 VanDerWaalsContact O-N 3.15Å; W647-V650 PolarHBondContact O-N 3.25Å; T648-V650 PolarHBondContact O-N 3.39Å; V650-S654 VanDerWaalsContact O-CB 3.22Å; V650-S654 WeakPolarHBondContact O-CB 2.89Å; V650-S654 PolarHBondContact O-N 3.15Å; V650-S654 VanDerWaalsContact O-N 3.07Å
651	E	26.7	Very low	28.1	Very low	142 Å²	142	110.9 Å²	110.9	66%	0.664	57%	0.566	S	S	*	*	H	α-helix	trans	-72.2	-39	174.3	-83	-178.3	148.4	0	0	113.2	W647 T648 S654 S655	W647-E651 PolarHBondContact O-N 2.98Å; T648-E651 PolarHBondContact O-N 3.25Å; E651-S654 PolarHBondContact O-N 3.23Å; E651-S655 PolarHBondContact O-N 2.96Å; E651-S655 VanDerWaalsContact O-N 3.13Å; E651-S655 PolarHBondContact O-OG 3.4Å
652	E	29.8	Very low	28.2	Very low	130 Å²	130	110.8 Å²	110.8	61%	0.607	57%	0.574	S	S	*	*	H	α-helix	trans	-64.8	-40.3	174.7	-77.6	-179.7	166.2	0	0	111.8	T648 L656	T648-E652 WeakPolarHBondContact O-CB 3.32Å; T648-E652 WeakPolarHBondContact O-CG 3.28Å; T648-E652 PolarHBondContact O-N 3.46Å; E652-L656 VanDerWaalsContact O-CD1 3.24Å; E652-L656 WeakPolarHBondContact O-CD1 3.36Å
653	L	32.8	Very low	28.3	Very low	114 Å²	114	111.4 Å²	111.4	60%	0.597	57%	0.572	S	S	*	*	H	α-helix	trans	-72.3	-30.8	176.9	-71.5	168.3	0	0	0	113.3	K649	K649-L653 WeakPolarHBondContact O-CB 3.33Å; K649-L653 WeakPolarHBondContact O-CD1 3.43Å; K649-L653 WeakPolarHBondContact O-CG 3.38Å; K649-L653 PolarHBondContact O-N 3.36Å; K649-L653 VanDerWaalsContact O-N 3.11Å
654	S	29.5	Very low	28.3	Very low	37 Å²	37	110.7 Å²	110.7	26%	0.259	59%	0.589	S	S	.	*	H	α-helix	trans	-83.9	-20.3	-178	-151.4	0	0	0	0	113.4	V650 E651 L656	V650-S654 VanDerWaalsContact O-CB 3.22Å; V650-S654 WeakPolarHBondContact O-CB 2.89Å; V650-S654 PolarHBondContact O-N 3.15Å; V650-S654 VanDerWaalsContact O-N 3.07Å; E651-S654 PolarHBondContact O-N 3.23Å; S654-L656 PolarHBondContact O-N 3.27Å
655	S	27.7	Very low	28.1	Very low	84 Å²	84	112.3 Å²	112.3	59%	0.587	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-12.7	173.2	-59.6	0	0	0	0	113.5	E651	E651-S655 PolarHBondContact O-N 2.96Å; E651-S655 VanDerWaalsContact O-N 3.13Å; E651-S655 PolarHBondContact O-OG 3.4Å
656	L	34.7	Very low	28.1	Very low	71 Å²	71	119.5 Å²	119.5	37%	0.372	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.3	-4.1	-174.1	-70.3	151.2	0	0	0	114	E652 S654 E983	E652-L656 VanDerWaalsContact O-CD1 3.24Å; E652-L656 WeakPolarHBondContact O-CD1 3.36Å; S654-L656 PolarHBondContact O-N 3.27Å; L656-E983 WeakPolarHBondContact CB-OE1 3.3Å; L656-E983 WeakPolarHBondContact CD1-OE1 3.33Å; L656-E983 WeakPolarHBondContact CG-OE1 3.29Å
657	E	28.8	Very low	27.7	Very low	102 Å²	102	122.4 Å²	122.4	48%	0.477	64%	0.639	S	S	.	*	S	Bend	trans	-91.9	1.1	179.4	-73.7	-166.9	154.2	0	0	115
658	H	24.1	Very low	27.5	Very low	162 Å²	162	122.6 Å²	122.6	75%	0.75	65%	0.654	S	S	*	*			trans	-132.6	90.5	177.2	-104.8	57.9	0	0	0	113.3
659	F	23.6	Very low	27.7	Very low	163 Å²	163	128.6 Å²	128.6	72%	0.715	67%	0.674	S	S	*	*			trans	-136.9	125.2	154.5	-75.1	-80.2	0	0	0	108.9
660	P	26.4	Very low	27.4	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	69%	0.685	S	S	*	*			trans	-68.9	141.2	173.9	27.3	-30.2	0	0	0	110.5	E662	P660-E662 PolarHBondContact O-N 3.43Å; P660-E662 VanDerWaalsContact O-N 3.08Å
661	E	24.9	Very low	27.4	Very low	178 Å²	178	135.9 Å²	135.9	83%	0.832	71%	0.713	S	S	*	*			trans	-61.7	104.3	177.1	-70.2	177.2	156.7	0	0	111.2	N663	E661-N663 PolarHBondContact O-N 2.68Å
662	E	25.1	Very low	27.6	Very low	196 Å²	196	138.4 Å²	138.4	92%	0.916	72%	0.722	S	S	*	*			trans	-74.5	101.2	162	-86.1	-168.7	155.6	0	0	109.6	P660 G664	P660-E662 PolarHBondContact O-N 3.43Å; P660-E662 VanDerWaalsContact O-N 3.08Å; E662-G664 PolarHBondContact O-N 2.77Å
663	N	28.3	Very low	27.3	Very low	142 Å²	142	142 Å²	142	76%	0.759	74%	0.735	S	S	*	*			trans	-77.7	114.6	167.6	-84.4	-35.1	0	0	0	110	E661 A665	E661-N663 PolarHBondContact O-N 2.68Å; N663-A665 PolarHBondContact O-N 3.45Å
664	G	29.1	Very low	27	Very low	88 Å²	88	144.1 Å²	144.1	91%	0.907	75%	0.746	S	S	*	*			trans	-63.6	102.7	173.6	0	0	0	0	0	112.6	E662	E662-G664 PolarHBondContact O-N 2.77Å
665	A	24.8	Very low	27	Very low	86 Å²	86	148.3 Å²	148.3	71%	0.711	77%	0.771	S	S	*	*			trans	-109	123.5	158.7	0	0	0	0	0	108.8	N663 V667	N663-A665 PolarHBondContact O-N 3.45Å; A665-V667 PolarHBondContact O-N 3.43Å
666	R	25.9	Very low	26.9	Very low	247 Å²	247	151 Å²	151	93%	0.932	78%	0.784	S	S	*	*			trans	-55.4	118.5	177.6	-76.3	175	170.7	179.8	-4.8	110.8	V668	R666-V668 PolarHBondContact O-N 2.89Å
667	V	23	Very low	26.5	Very low	139 Å²	139	156.4 Å²	156.4	84%	0.842	81%	0.807	S	S	*	*			trans	-75	102.7	168.9	177.5	0	0	0	0	108.7	A665	A665-V667 PolarHBondContact O-N 3.43Å
668	V	25.5	Very low	26.3	Very low	123 Å²	123	157.1 Å²	157.1	75%	0.745	82%	0.823	S	S	*	*			trans	-82.9	118.9	158.9	173.2	0	0	0	0	106.9	R666 N670	R666-V668 PolarHBondContact O-N 2.89Å; V668-N670 PolarHBondContact O-N 3.36Å
669	K	31.6	Very low	26.3	Very low	190 Å²	190	158 Å²	158	83%	0.826	83%	0.828	S	S	*	*			trans	-57	122.6	168.3	-77.1	177.8	172.6	179.5	0	109.2
670	N	22.5	Very low	26.4	Very low	161 Å²	161	156.9 Å²	156.9	86%	0.861	83%	0.829	S	S	*	*			trans	-147.9	119.8	149	-107.9	-12.3	0	0	0	110	V668	V668-N670 PolarHBondContact O-N 3.36Å
671	E	30.6	Very low	26.5	Very low	179 Å²	179	156.3 Å²	156.3	84%	0.836	83%	0.825	S	S	*	*			trans	-66.7	161.1	173.5	-66.4	174.9	149.6	0	0	111.9
672	K	30.5	Very low	26.9	Very low	196 Å²	196	156.5 Å²	156.5	85%	0.852	82%	0.824	S	S	*	*			trans	98.4	102.2	164.4	-59.6	178.6	178.1	176.5	0	117
673	K	24.4	Very low	26.9	Very low	205 Å²	205	152.6 Å²	152.6	89%	0.891	82%	0.818	S	S	*	*			trans	-161.8	100.6	142.1	-105.2	170.8	-179	-177.9	0	107.9
674	L	26.2	Very low	27.1	Very low	158 Å²	158	152.9 Å²	152.9	83%	0.827	82%	0.819	S	S	*	*				41.1	92.8	97.6	-106.1	89.2	0	0	0	114.5
675	T	30	Very low	27.2	Very low	126 Å²	126	152.9 Å²	152.9	77%	0.773	80%	0.804	S	S	*	*			trans	9	110.7	139.4	36.9	0	0	0	0	118.2
676	T	24.8	Very low	27.7	Very low	141 Å²	141	157.7 Å²	157.7	87%	0.865	81%	0.812	S	S	*	*			trans	-153.9	116.4	134.3	-32.6	0	0	0	0	108.7
677	Q	27.3	Very low	28.4	Very low	184 Å²	184	154.8 Å²	154.8	86%	0.86	81%	0.809	S	S	*	*			trans	-72.4	121.5	177.9	-75	168.5	-26.8	0	0	110.2
678	S	24.1	Very low	29.5	Very low	116 Å²	116	149.6 Å²	149.6	81%	0.811	78%	0.779	S	S	*	*			trans	-121.3	113.6	151.7	54.6	0	0	0	0	108	D680	S678-D680 PolarHBondContact O-N 3.19Å
679	H	24.6	Very low	30.9	Very low	182 Å²	182	152.8 Å²	152.8	84%	0.843	78%	0.778	S	S	*	*			trans	-60.3	123.5	177.2	-93	-91	0	0	0	110.9
680	D	24.8	Very low	32.1	Very low	139 Å²	139	144.5 Å²	144.5	74%	0.743	74%	0.744	S	S	*	*			trans	-99.1	120.9	165.5	-152.8	-6.3	0	0	0	107.3	S678 F682	S678-D680 PolarHBondContact O-N 3.19Å; D680-F682 VanDerWaalsContact C-N 3.34Å; D680-F682 PolarHBondContact O-N 2.8Å
681	P	29.4	Very low	33.6	Very low	107 Å²	107	144.6 Å²	144.6	70%	0.695	74%	0.739	S	S	*	*	S	Bend	trans	-86.1	17.2	-167.9	21	-14.2	0	0	0	116.2
682	F	31.8	Very low	35	Very low	182 Å²	182	140.9 Å²	140.9	80%	0.798	72%	0.718	S	S	*	*			trans	-124.5	50.2	-173.8	-73.7	-78.1	0	0	0	115.5	D680	D680-F682 VanDerWaalsContact C-N 3.34Å; D680-F682 PolarHBondContact O-N 2.8Å
683	S	25.7	Very low	36.6	Very low	114 Å²	114	132.6 Å²	132.6	80%	0.797	68%	0.682	S	S	*	*			trans	-112.8	102.1	155.7	67	0	0	0	0	109.7
684	L	32.9	Very low	38.6	Very low	148 Å²	148	127.4 Å²	127.4	78%	0.775	66%	0.661	S	S	*	*			trans	-79.4	138.2	177.4	-72.5	160	0	0	0	110.5
685	S	30.5	Very low	40.6	Very low	87 Å²	87	121 Å²	121	61%	0.608	63%	0.632	S	S	*	*			trans	-71.4	143	164.8	48.3	0	0	0	0	110.6	E687	S685-E687 PolarHBondContact O-N 3.22Å; S685-E687 VanDerWaalsContact O-N 3.09Å
686	E	36.4	Very low	42.6	Very low	187 Å²	187	116.4 Å²	116.4	87%	0.874	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-6.8	-176.4	-78.8	-177.6	139.4	0	0	114.9
687	E	39.4	Very low	44.7	Very low	186 Å²	186	111.2 Å²	111.2	87%	0.869	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-4.1	-169.1	-68.4	173.8	159.3	0	0	115.3	S685	S685-E687 PolarHBondContact O-N 3.22Å; S685-E687 VanDerWaalsContact O-N 3.09Å
688	S	46.8	Very low	46.9	Very low	30 Å²	30	104.5 Å²	104.5	21%	0.21	55%	0.55	C	S	.	.			trans	-119.4	59.9	-172.4	-168.7	0	0	0	0	112.9	N700 W708	S688-N700 PolarHBondContact OG-ND2 2.86Å; S688-W708 WeakPolarHBondContact OG-CH2 3.46Å
689	R	54.6	Low	49.5	Very low	190 Å²	190	101.5 Å²	101.5	72%	0.717	52%	0.521	S	S	*	.			trans	-117.4	133	172	-73.8	-174.1	176.7	178	2.5	111.5	H691	R689-H691 PolarHBondContact O-CD2 3.08Å; R689-H691 VanDerWaalsContact O-CD2 3.25Å; R689-H691 PolarHBondContact O-N 2.95Å
690	C	57.1	Low	51.8	Low	17 Å²	17	95.2 Å²	95.2	12%	0.115	49%	0.494	C	S	.	.			trans	-75.6	101.3	170.1	179.9	0	0	0	0	109.3	Y692 W708 F710	C690-Y692 WeakPolarHBondContact SG-CE1 3.42Å; C690-W708 HydrophobicContact CB-CD2 4.37Å; C690-W708 HydrophobicContact CB-CG 4.27Å; C690-F710 HydrophobicContact CB-CZ 4.09Å
691	H	54.7	Low	54.2	Low	162 Å²	162	92.6 Å²	92.6	75%	0.75	48%	0.48	S	S	*	.	S	Bend	trans	-79.2	-14.4	-174.9	-72.7	-79.7	0	0	0	114.9	R689	R689-H691 PolarHBondContact O-CD2 3.08Å; R689-H691 VanDerWaalsContact O-CD2 3.25Å; R689-H691 PolarHBondContact O-N 2.95Å
692	Y	59.8	Low	56.5	Low	102 Å²	102	88.3 Å²	88.3	40%	0.4	45%	0.452	S	S	.	.	S	Bend	trans	-104	-8.3	-172	67.8	-86.2	0	0	0	114.1	V591 P592 C690	V591-Y692 HydrophobicContact CG1-CD2 4.45Å; V591-Y692 HydrophobicContact CG1-CE2 3.31Å; V591-Y692 WeakPolarHBondContact CG1-OH 3.4Å; V591-Y692 PolarHBondContact O-OH 3.36Å; P592-Y692 PolarHBondContact O-OH 3.32Å; C690-Y692 WeakPolarHBondContact SG-CE1 3.42Å
693	H	64.3	Low	58.5	Low	22 Å²	22	84.6 Å²	84.6	10%	0.102	44%	0.44	C	S	.	.			trans	-136.3	129.3	-178.8	-173.5	-75	0	0	0	111.6	F577 Y589 V591 F710	F577-H693 AromaticContact CE2-CD2 3.35Å; F577-H693 WeakPolarHBondContact CE2-CD2 3.49Å; F577-H693 AromaticContact CE2-NE2 3.58Å; F577-H693 AromaticContact CZ-CD2 3.8Å; Y589-H693 AromaticContact CE2-CE1 3.43Å; Y589-H693 VanDerWaalsContact CE2-CE1 3.43Å; Y589-H693 WeakPolarHBondContact CE2-CE1 3.35Å; Y589-H693 AromaticContact CE2-NE2 3.7Å; Y589-H693 AromaticContact CZ-CE1 3.73Å; Y589-H693 PolarHBondContact OH-CE1 3.02Å; V591-H693 HydrophobicContact CG1-CB 3.85Å; H693-F710 AromaticContact ND1-CZ 3.95Å
694	H	65.2	Low	61	Low	96 Å²	96	79.9 Å²	79.9	44%	0.444	41%	0.406	S	S	.	.			trans	-108.5	117.7	-179.3	-59.3	94.5	0	0	0	109.8	N934	H694-N934 PolarHBondContact CD2-ND2 3.19Å
695	G	67.6	Low	62.9	Low	22 Å²	22	75.2 Å²	75.2	23%	0.227	38%	0.384	C	S	.	.	S	Bend	trans	-167.5	-179.8	-176.8	0	0	0	0	0	113	G697	G695-G697 PolarHBondContact O-N 2.86Å
696	N	71.8	Confident	64.9	Low	31 Å²	31	71.1 Å²	71.1	17%	0.166	36%	0.356	C	S	.	.	S	Bend	trans	-75.3	88.2	178.2	-176.2	29.2	0	0	0	110.9	Y699 K711 N718	N696-Y699 WeakPolarHBondContact O-CE2 3.36Å; N696-K711 PolarHBondContact O-N 3.42Å; N696-N718 WeakPolarHBondContact ND2-CB 3.39Å; N696-N718 PolarHBondContact ND2-O 3.28Å
697	G	70.2	Confident	67.1	Low	32 Å²	32	62.2 Å²	62.2	33%	0.33	31%	0.314	S	S	.	.			trans	151.4	-166.3	-170	0	0	0	0	0	110	G695 F710	G695-G697 PolarHBondContact O-N 2.86Å; G697-F710 VanDerWaalsContact C-CE1 3.44Å
698	P	73	Confident	69.2	Low	42 Å²	42	54 Å²	54	27%	0.273	28%	0.275	S	S	.	.			cis	-77	141.5	4.9	29.3	-33.9	0	0	0	113.1	W708 F710	P698-W708 HydrophobicContact CB-CB 4.42Å; P698-W708 HydrophobicContact CB-CD2 4.27Å; P698-W708 HydrophobicContact CB-CE3 3.66Å; P698-W708 HydrophobicContact CB-CZ3 4.34Å; P698-W708 HydrophobicContact CG-CE3 4.21Å; P698-F710 HydrophobicContact CB-CE1 4.41Å; P698-F710 HydrophobicContact CB-CE2 4.44Å; P698-F710 HydrophobicContact CB-CZ 4.09Å
699	Y	78.3	Confident	71	Confident	53 Å²	53	52.6 Å²	52.6	21%	0.208	27%	0.266	C	S	.	.			trans	-95.8	95.2	173.2	-72.2	-86.6	0	0	0	110	H585 N696 D701 V702 F709 K711	H585-Y699 AromaticContact CE1-CD1 3.56Å; H585-Y699 AromaticContact CE1-CE1 3.93Å; H585-Y699 AromaticContact ND1-CD1 3.94Å; H585-Y699 AromaticContact NE2-CD1 3.85Å; N696-Y699 WeakPolarHBondContact O-CE2 3.36Å; Y699-D701 PolarHBondContact O-N 2.79Å; Y699-D701 VanDerWaalsContact O-N 3.15Å; Y699-V702 PolarHBondContact O-N 2.78Å; Y699-V702 VanDerWaalsContact O-N 3.16Å; Y699-F709 HydrophobicContact CD2-CD1 4.38Å; Y699-F709 PolarHBondContact N-O 3.38Å; Y699-F709 VanDerWaalsContact N-O 3.1Å; Y699-K711 HydrophobicContact CD2-CB 4.3Å; Y699-K711 HydrophobicContact CE2-CB 3.71Å; Y699-K711 HydrophobicContact CE2-CD 4.42Å
700	N	74.6	Confident	72.4	Confident	51 Å²	51	43.7 Å²	43.7	27%	0.273	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.1	-171.9	-65.7	-2.4	0	0	0	114	S688 V702 W708	S688-N700 PolarHBondContact OG-ND2 2.86Å; N700-V702 PolarHBondContact O-N 2.75Å; N700-W708 VanDerWaalsContact OD1-CZ3 3.29Å; N700-W708 WeakPolarHBondContact OD1-CZ3 3.23Å
701	D	75.3	Confident	73.8	Confident	84 Å²	84	43 Å²	43	45%	0.449	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.8	175.2	69.3	-56.2	0	0	0	113.5	H585 Y699	H585-D701 IonicContact CD2-OD1 2.71Å; H585-D701 IonicContact CD2-OD2 2.65Å; H585-D701 IonicContact CE1-OD1 3.65Å; H585-D701 IonicContact CE1-OD2 2.69Å; H585-D701 IonicContact NE2-OD1 3.1Å; H585-D701 PolarHBondContact NE2-OD1 2.98Å; H585-D701 IonicContact NE2-OD2 2.61Å; H585-D701 PolarHBondContact NE2-OD2 2.94Å; Y699-D701 PolarHBondContact O-N 2.79Å; Y699-D701 VanDerWaalsContact O-N 3.15Å
702	V	76.6	Confident	75.3	Confident	16 Å²	16	35.3 Å²	35.3	10%	0.097	19%	0.191	C	C	.	.	S	Bend	trans	-94.4	92.7	169.8	-176.3	0	0	0	0	108.1	T582 R594 Y699 N700 I704 F709	T582-V702 HydrophobicContact CG2-CG1 3.93Å; T582-V702 HydrophobicContact CG2-CG2 4.1Å; R594-V702 PolarHBondContact NH1-O 3.1Å; Y699-V702 PolarHBondContact O-N 2.78Å; Y699-V702 VanDerWaalsContact O-N 3.16Å; N700-V702 PolarHBondContact O-N 2.75Å; V702-I704 HydrophobicContact CG1-CD1 3.82Å; V702-I704 HydrophobicContact CG1-CG1 4.05Å; V702-I704 PolarHBondContact O-N 2.89Å; V702-F709 HydrophobicContact CB-CB 3.81Å; V702-F709 HydrophobicContact CB-CD1 4.35Å; V702-F709 HydrophobicContact CB-CG 4.14Å; V702-F709 HydrophobicContact CG1-CB 3.77Å; V702-F709 HydrophobicContact CG1-CD2 4.31Å; V702-F709 HydrophobicContact CG1-CG 3.98Å; V702-F709 HydrophobicContact CG2-CB 4.34Å; V702-F709 HydrophobicContact CG2-CD1 3.94Å; V702-F709 HydrophobicContact CG2-CG 4.18Å
703	D	74.1	Confident	76.4	Confident	105 Å²	105	31.8 Å²	31.8	56%	0.561	18%	0.181	S	C	*	.			trans	-93.9	75.9	-173.5	-163.4	20.8	0	0	0	112.5	R594 N597	R594-D703 IonicContact CZ-OD1 2.61Å; R594-D703 IonicContact NH1-OD1 3.12Å; R594-D703 PolarHBondContact NH1-OD1 3.4Å; R594-D703 IonicContact NH2-OD1 3.92Å; N597-D703 WeakPolarHBondContact CB-OD1 3.33Å; N597-D703 PolarHBondContact ND2-OD1 2.83Å
704	I	77.3	Confident	77.1	Confident	14 Å²	14	32.6 Å²	32.6	7%	0.072	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-93.5	121.8	175	-64.5	168.6	0	0	0	108.5	W457 L590 N597 C609 V702 G706 C707	W457-I704 HydrophobicContact CZ2-CG2 4.44Å; L590-I704 HydrophobicContact CD1-CD1 4.34Å; L590-I704 HydrophobicContact CD2-CD1 3.46Å; L590-I704 VanDerWaalsContact CD2-CD1 3.46Å; N597-I704 VanDerWaalsContact ND2-C 3.33Å; N597-I704 PolarHBondContact ND2-O 3.3Å; C609-I704 HydrophobicContact CB-CG2 4Å; C609-I704 WeakPolarHBondContact SG-CG2 3.47Å; V702-I704 HydrophobicContact CG1-CD1 3.82Å; V702-I704 HydrophobicContact CG1-CG1 4.05Å; V702-I704 PolarHBondContact O-N 2.89Å; I704-G706 PolarHBondContact O-N 3.17Å; I704-C707 HydrophobicContact CB-CB 4.47Å; I704-C707 HydrophobicContact CG2-CB 4.14Å; I704-C707 PolarHBondContact O-N 2.96Å; I704-C707 VanDerWaalsContact O-N 3.09Å; I704-C707 VanDerWaalsContact O-O 3.13Å
705	P	74	Confident	77.3	Confident	50 Å²	50	32.7 Å²	32.7	33%	0.325	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	124.7	-175.6	-28.4	34.5	0	0	0	113.2	C707	P705-C707 VanDerWaalsContact C-N 3.25Å; P705-C707 PolarHBondContact O-N 2.62Å
706	G	72.7	Confident	77.4	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.01	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	-4.9	176.8	0	0	0	0	0	116.1	G593 R594 N597 I704	G593-G706 PolarHBondContact N-O 3.25Å; R594-G706 PolarHBondContact N-O 3.01Å; R594-G706 VanDerWaalsContact N-O 3.09Å; R594-G706 WeakPolarHBondContact O-CA 3.15Å; N597-G706 PolarHBondContact OD1-N 3.38Å; I704-G706 PolarHBondContact O-N 3.17Å
707	C	81.9	Confident	77.2	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.8	-175.3	-61.3	0	0	0	0	113.6	L590 V591 R594 I704 P705	L590-C707 HydrophobicContact CB-CB 4.34Å; V591-C707 CarbonylContact O-C 3.54Å; V591-C707 WeakPolarHBondContact O-CA 3.37Å; R594-C707 VanDerWaalsContact CD-O 3.31Å; R594-C707 WeakPolarHBondContact CD-O 3.42Å; I704-C707 HydrophobicContact CB-CB 4.47Å; I704-C707 HydrophobicContact CG2-CB 4.14Å; I704-C707 PolarHBondContact O-N 2.96Å; I704-C707 VanDerWaalsContact O-N 3.09Å; I704-C707 VanDerWaalsContact O-O 3.13Å; P705-C707 VanDerWaalsContact C-N 3.25Å; P705-C707 PolarHBondContact O-N 2.62Å
708	W	83.3	Confident	77.2	Confident	13 Å²	13	36.1 Å²	36.1	5%	0.049	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	142.8	166.1	-60.9	102.7	0	0	0	110.4	L590 V591 R594 S688 C690 P698 N700 F710	L590-W708 WeakPolarHBondContact CA-O 3.3Å; V591-W708 HydrophobicContact CB-CB 4.42Å; V591-W708 PolarHBondContact N-O 3.09Å; V591-W708 PolarHBondContact O-N 3.47Å; R594-W708 HydrophobicContact CB-CD2 3.94Å; R594-W708 HydrophobicContact CB-CG 4.13Å; R594-W708 HydrophobicContact CB-CZ2 4.09Å; R594-W708 HydrophobicContact CG-CD2 3.85Å; R594-W708 HydrophobicContact CG-CE3 4.04Å; R594-W708 HydrophobicContact CG-CH2 3.79Å; R594-W708 HydrophobicContact CG-CZ2 3.62Å; R594-W708 HydrophobicContact CG-CZ3 4Å; S688-W708 WeakPolarHBondContact OG-CH2 3.46Å; C690-W708 HydrophobicContact CB-CD2 4.37Å; C690-W708 HydrophobicContact CB-CG 4.27Å; P698-W708 HydrophobicContact CB-CB 4.42Å; P698-W708 HydrophobicContact CB-CD2 4.27Å; P698-W708 HydrophobicContact CB-CE3 3.66Å; P698-W708 HydrophobicContact CB-CZ3 4.34Å; P698-W708 HydrophobicContact CG-CE3 4.21Å; N700-W708 VanDerWaalsContact OD1-CZ3 3.29Å; N700-W708 WeakPolarHBondContact OD1-CZ3 3.23Å; W708-F710 HydrophobicContact CB-CD2 4.26Å; W708-F710 HydrophobicContact CB-CE2 3.69Å
709	F	85.1	Confident	77.2	Confident	2 Å²	2	42 Å²	42	1%	0.009	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.3	173.8	179.5	-95.4	0	0	0	111.3	T582 H585 L590 Y699 V702 K711	T582-F709 HydrophobicContact CG2-CD2 4.3Å; T582-F709 HydrophobicContact CG2-CE2 3.9Å; T582-F709 HydrophobicContact CG2-CZ 4.02Å; H585-F709 HydrophobicContact CB-CE1 3.81Å; H585-F709 HydrophobicContact CB-CZ 4.41Å; L590-F709 HydrophobicContact CD2-CD2 4.03Å; Y699-F709 HydrophobicContact CD2-CD1 4.38Å; Y699-F709 PolarHBondContact N-O 3.38Å; Y699-F709 VanDerWaalsContact N-O 3.1Å; V702-F709 HydrophobicContact CB-CB 3.81Å; V702-F709 HydrophobicContact CB-CD1 4.35Å; V702-F709 HydrophobicContact CB-CG 4.14Å; V702-F709 HydrophobicContact CG1-CB 3.77Å; V702-F709 HydrophobicContact CG1-CD2 4.31Å; V702-F709 HydrophobicContact CG1-CG 3.98Å; V702-F709 HydrophobicContact CG2-CB 4.34Å; V702-F709 HydrophobicContact CG2-CD1 3.94Å; V702-F709 HydrophobicContact CG2-CG 4.18Å; F709-K711 HydrophobicContact CE1-CB 4.43Å
710	F	84.8	Confident	77.3	Confident	2 Å²	2	43 Å²	43	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.2	173.2	-69.5	-97.2	0	0	0	110	G588 Y589 V591 C690 H693 G697 P698 W708	G588-F710 CarbonylContact C-O 3.58Å; G588-F710 WeakPolarHBondContact CA-O 3.41Å; Y589-F710 HydrophobicContact CD1-CB 4.36Å; Y589-F710 HydrophobicContact CD2-CB 4.17Å; Y589-F710 HydrophobicContact CE1-CB 3.8Å; Y589-F710 HydrophobicContact CE2-CB 3.57Å; Y589-F710 HydrophobicContact CE2-CD2 4.24Å; Y589-F710 HydrophobicContact CE2-CG 4.07Å; Y589-F710 PolarHBondContact N-O 3.24Å; Y589-F710 PolarHBondContact O-N 2.89Å; Y589-F710 VanDerWaalsContact O-N 3.11Å; V591-F710 HydrophobicContact CB-CD2 4.13Å; V591-F710 HydrophobicContact CB-CE2 4.01Å; V591-F710 HydrophobicContact CG2-CD2 3.46Å; V591-F710 VanDerWaalsContact CG2-CD2 3.46Å; V591-F710 HydrophobicContact CG2-CE2 3.75Å; V591-F710 HydrophobicContact CG2-CG 4.47Å; C690-F710 HydrophobicContact CB-CZ 4.09Å; H693-F710 AromaticContact ND1-CZ 3.95Å; G697-F710 VanDerWaalsContact C-CE1 3.44Å; P698-F710 HydrophobicContact CB-CE1 4.41Å; P698-F710 HydrophobicContact CB-CE2 4.44Å; P698-F710 HydrophobicContact CB-CZ 4.09Å; W708-F710 HydrophobicContact CB-CD2 4.26Å; W708-F710 HydrophobicContact CB-CE2 3.69Å
711	K	86.5	Confident	77.8	Confident	4 Å²	4	44 Å²	44	2%	0.017	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	144.4	-176.9	-173.6	180	177.9	178.2	0	111.1	H585 N696 Y699 F709 N718 H719 N720 N721	H585-K711 HydrophobicContact CB-CD 4.5Å; H585-K711 WeakPolarHBondContact O-CE 3.42Å; N696-K711 PolarHBondContact O-N 3.42Å; Y699-K711 HydrophobicContact CD2-CB 4.3Å; Y699-K711 HydrophobicContact CE2-CB 3.71Å; Y699-K711 HydrophobicContact CE2-CD 4.42Å; F709-K711 HydrophobicContact CE1-CB 4.43Å; K711-N718 PolarHBondContact NZ-O 3.31Å; K711-H719 PolarHBondContact NZ-O 2.89Å; K711-N720 WeakPolarHBondContact CE-O 3.48Å; K711-N720 VanDerWaalsContact NZ-C 3.29Å; K711-N720 PolarHBondContact NZ-O 3.18Å; K711-N721 VanDerWaalsContact CE-OD1 3.25Å; K711-N721 WeakPolarHBondContact CE-OD1 3.31Å; K711-N721 PolarHBondContact NZ-OD1 3.33Å
712	L	85.3	Confident	78.3	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-64.9	141.2	172.6	-72.1	-178.9	0	0	0	111.3	W574 L579 W587 Y589 V722 F730	W574-L712 HydrophobicContact CB-CD2 4.43Å; W574-L712 HydrophobicContact CD2-CD2 3.5Å; W574-L712 HydrophobicContact CE3-CD2 3.39Å; W574-L712 HydrophobicContact CG-CD2 3.98Å; W574-L712 HydrophobicContact CH2-CD2 4.31Å; W574-L712 HydrophobicContact CZ2-CD2 4.44Å; W574-L712 HydrophobicContact CZ3-CD2 3.83Å; L579-L712 HydrophobicContact CD2-CD1 4.13Å; L579-L712 HydrophobicContact CD2-CD2 4.04Å; L579-L712 HydrophobicContact CD2-CG 4.35Å; W587-L712 HydrophobicContact CB-CD1 3.82Å; W587-L712 HydrophobicContact CB-CG 4.45Å; W587-L712 PolarHBondContact O-N 3.36Å; Y589-L712 HydrophobicContact CD1-CD2 3.98Å; Y589-L712 HydrophobicContact CE1-CD2 4.37Å; L712-V722 HydrophobicContact CB-CB 4.35Å; L712-V722 HydrophobicContact CB-CG2 3.8Å; L712-V722 HydrophobicContact CD1-CG1 4.41Å; L712-F730 HydrophobicContact CB-CE1 4.5Å; L712-F730 HydrophobicContact CB-CZ 4.29Å; L712-F730 HydrophobicContact CD1-CE1 4.44Å; L712-F730 HydrophobicContact CD1-CZ 4.37Å
713	P	81.8	Confident	78.5	Confident	27 Å²	27	42.5 Å²	42.5	18%	0.175	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-66.2	137.4	177.4	27.4	-33.2	0	0	0	110.5	W574 F730	W574-P713 HydrophobicContact CH2-CG 4.07Å; W574-P713 HydrophobicContact CZ2-CG 3.96Å; P713-F730 WeakPolarHBondContact O-CZ 3.5Å
714	H	80.5	Confident	79	Confident	39 Å²	39	39.3 Å²	39.3	18%	0.181	22%	0.224	C	C	.	.			trans	-113.2	139.3	179	-173.2	-76.9	0	0	0	110.5	D716 G717 N720 N721 V722	H714-D716 VanDerWaalsContact C-N 3.29Å; H714-D716 IonicContact CE1-OD2 3.81Å; H714-D716 PolarHBondContact CE1-OD2 3.26Å; H714-D716 VanDerWaalsContact CE1-OD2 3.28Å; H714-D716 PolarHBondContact ND1-N 3.26Å; H714-D716 IonicContact ND1-OD2 2.83Å; H714-D716 PolarHBondContact O-N 3.21Å; H714-G717 CarbonylContact O-C 3.59Å; H714-G717 PolarHBondContact O-N 3.39Å; H714-N720 HydrophobicContact CB-CB 4.25Å; H714-N720 WeakPolarHBondContact CB-O 3.45Å; H714-N721 PolarHBondContact CD2-O 3Å; H714-V722 HydrophobicContact CB-CG2 4.19Å
715	K	69.6	Low	79.3	Confident	99 Å²	99	38.7 Å²	38.7	43%	0.43	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-40.7	-176.2	57.9	162	176.2	-128	0	114.1	G717 D729 Q928	K715-G717 PolarHBondContact O-N 3.43Å; K715-D729 VanDerWaalsContact CD-OD2 3.29Å; K715-D729 WeakPolarHBondContact CD-OD2 3.33Å; K715-D729 WeakPolarHBondContact CE-OD2 3.48Å; K715-D729 IonicContact NZ-OD1 3.47Å; K715-D729 PolarHBondContact NZ-OD1 3.47Å; K715-D729 IonicContact NZ-OD2 3.17Å; K715-D729 PolarHBondContact NZ-OD2 2.99Å; K715-Q928 PolarHBondContact O-NE2 3.06Å
716	D	68.3	Low	79.9	Confident	100 Å²	100	36.6 Å²	36.6	54%	0.535	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	7.2	-178.6	-57	-45.3	0	0	0	113	H714 N720	H714-D716 VanDerWaalsContact C-N 3.29Å; H714-D716 IonicContact CE1-OD2 3.81Å; H714-D716 PolarHBondContact CE1-OD2 3.26Å; H714-D716 VanDerWaalsContact CE1-OD2 3.28Å; H714-D716 PolarHBondContact ND1-N 3.26Å; H714-D716 IonicContact ND1-OD2 2.83Å; H714-D716 PolarHBondContact O-N 3.21Å; D716-N720 PolarHBondContact O-ND2 3.49Å
717	G	67.4	Low	80.3	Confident	16 Å²	16	38.3 Å²	38.3	17%	0.165	22%	0.219	C	C	.	.			trans	117.6	150.2	177.1	0	0	0	0	0	113.6	H714 K715 H719 N720	H714-G717 CarbonylContact O-C 3.59Å; H714-G717 PolarHBondContact O-N 3.39Å; K715-G717 PolarHBondContact O-N 3.43Å; G717-H719 PolarHBondContact O-N 3.32Å; G717-N720 PolarHBondContact O-N 2.91Å
718	N	70.4	Confident	80	Confident	41 Å²	41	45.6 Å²	45.6	22%	0.219	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18.2	-172.9	-75.2	-2.5	0	0	0	115.7	N696 K711 N720	N696-N718 WeakPolarHBondContact ND2-CB 3.39Å; N696-N718 PolarHBondContact ND2-O 3.28Å; K711-N718 PolarHBondContact NZ-O 3.31Å; N718-N720 VanDerWaalsContact C-N 3.35Å
719	H	74.6	Confident	79.7	Confident	165 Å²	165	48.5 Å²	48.5	76%	0.764	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-25.7	175.3	-55.1	-58.8	0	0	0	113.1	K711 G717	K711-H719 PolarHBondContact NZ-O 2.89Å; G717-H719 PolarHBondContact O-N 3.32Å
720	N	80.1	Confident	79.5	Confident	75 Å²	75	49 Å²	49	40%	0.401	27%	0.269	S	S	.	.	S	Bend	trans	-81.3	144.2	-178.5	-68.2	-38.1	0	0	0	111.6	K711 H714 D716 G717 N718	K711-N720 WeakPolarHBondContact CE-O 3.48Å; K711-N720 VanDerWaalsContact NZ-C 3.29Å; K711-N720 PolarHBondContact NZ-O 3.18Å; H714-N720 HydrophobicContact CB-CB 4.25Å; H714-N720 WeakPolarHBondContact CB-O 3.45Å; D716-N720 PolarHBondContact O-ND2 3.49Å; G717-N720 PolarHBondContact O-N 2.91Å; N718-N720 VanDerWaalsContact C-N 3.35Å
721	N	85.1	Confident	79.1	Confident	70 Å²	70	49.7 Å²	49.7	37%	0.374	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-82.6	136.4	-179.1	-67.9	-3.6	0	0	0	110.7	K584 H585 K711 H714 G723	K584-N721 PolarHBondContact O-ND2 3.04Å; H585-N721 PolarHBondContact O-OD1 3.12Å; K711-N721 VanDerWaalsContact CE-OD1 3.25Å; K711-N721 WeakPolarHBondContact CE-OD1 3.31Å; K711-N721 PolarHBondContact NZ-OD1 3.33Å; H714-N721 PolarHBondContact CD2-O 3Å; N721-G723 PolarHBondContact O-N 3.17Å
722	V	84.1	Confident	78.6	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.024	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-73.1	123.7	170.3	173.6	0	0	0	0	108.6	W587 L712 H714 F730	W587-V722 HydrophobicContact CB-CB 4.33Å; W587-V722 HydrophobicContact CB-CG1 4.39Å; L712-V722 HydrophobicContact CB-CB 4.35Å; L712-V722 HydrophobicContact CB-CG2 3.8Å; L712-V722 HydrophobicContact CD1-CG1 4.41Å; H714-V722 HydrophobicContact CB-CG2 4.19Å; V722-F730 HydrophobicContact CB-CZ 4.49Å; V722-F730 HydrophobicContact CG1-CE2 3.52Å; V722-F730 HydrophobicContact CG1-CZ 3.86Å; V722-F730 HydrophobicContact CG2-CE2 4.16Å; V722-F730 HydrophobicContact CG2-CZ 3.81Å
723	G	81.9	Confident	78.4	Confident	66 Å²	66	53.1 Å²	53.1	68%	0.68	30%	0.298	S	S	*	.	S	Bend	trans	-78.1	-47.4	178.6	0	0	0	0	0	113.2	W587 N721	W587-G723 PolarHBondContact NE1-O 3.14Å; N721-G723 PolarHBondContact O-N 3.17Å
724	S	85.3	Confident	78.3	Confident	38 Å²	38	53.1 Å²	53.1	27%	0.266	30%	0.296	S	S	.	.			trans	-142.5	133.4	179.4	176.9	0	0	0	0	111.6	F726 S727	S724-F726 PolarHBondContact O-N 3.05Å; S724-F726 PolarHBondContact OG-N 3.14Å; S724-S727 WeakPolarHBondContact O-CB 3.37Å; S724-S727 PolarHBondContact O-N 2.78Å; S724-S727 PolarHBondContact O-OG 3.46Å
725	P	83.7	Confident	77.9	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-10	174.7	31.2	-34.8	0	0	0	113	P567 L572 L579 S727 F730	P567-P725 HydrophobicContact CB-CG 3.86Å; P567-P725 HydrophobicContact CG-CG 3.52Å; L572-P725 HydrophobicContact CD1-CB 4.37Å; L572-P725 HydrophobicContact CD1-CG 4.13Å; L579-P725 HydrophobicContact CD1-CB 4.12Å; L579-P725 HydrophobicContact CD1-CG 4.46Å; P725-S727 VanDerWaalsContact C-N 3.32Å; P725-F730 WeakPolarHBondContact O-CB 3.27Å
726	F	84.7	Confident	78.1	Confident	6 Å²	6	55.1 Å²	55.1	3%	0.026	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	6.7	174.8	-55.4	-61.5	0	0	0	113.4	L561 T566 P567 M570 L572 S724 L752	L561-F726 HydrophobicContact CB-CD2 4.1Å; L561-F726 HydrophobicContact CD2-CD1 4.49Å; L561-F726 HydrophobicContact CD2-CD2 4.11Å; L561-F726 HydrophobicContact CD2-CE1 4.39Å; L561-F726 HydrophobicContact CD2-CE2 3.99Å; L561-F726 HydrophobicContact CD2-CG 4.36Å; L561-F726 HydrophobicContact CD2-CZ 4.15Å; L561-F726 WeakPolarHBondContact O-CD2 3.31Å; T566-F726 HydrophobicContact CG2-CE2 4.03Å; T566-F726 HydrophobicContact CG2-CZ 4.21Å; P567-F726 HydrophobicContact CB-CE2 4.49Å; P567-F726 HydrophobicContact CB-CZ 4.45Å; P567-F726 HydrophobicContact CG-CD2 4.42Å; P567-F726 HydrophobicContact CG-CE2 3.61Å; P567-F726 HydrophobicContact CG-CZ 4.03Å; M570-F726 HydrophobicContact CE-CE1 4.11Å; M570-F726 HydrophobicContact CE-CZ 4.43Å; M570-F726 HydrophobicContact SD-CE1 3.7Å; M570-F726 HydrophobicContact SD-CZ 3.43Å; M570-F726 WeakPolarHBondContact SD-CZ 3.45Å; L572-F726 HydrophobicContact CD1-CE1 3.71Å; L572-F726 HydrophobicContact CD1-CZ 3.86Å; S724-F726 PolarHBondContact O-N 3.05Å; S724-F726 PolarHBondContact OG-N 3.14Å; F726-L752 HydrophobicContact CD1-CD1 4.02Å; F726-L752 HydrophobicContact CE1-CD1 3.96Å
727	S	81.8	Confident	78.5	Confident	37 Å²	37	50.7 Å²	50.7	26%	0.259	29%	0.288	S	S	.	.	S	Bend	trans	-68.9	159	179.7	62	0	0	0	0	111.6	S724 P725 D729 F730	S724-S727 WeakPolarHBondContact O-CB 3.37Å; S724-S727 PolarHBondContact O-N 2.78Å; S724-S727 PolarHBondContact O-OG 3.46Å; P725-S727 VanDerWaalsContact C-N 3.32Å; S727-D729 PolarHBondContact O-N 3.06Å; S727-F730 PolarHBondContact O-N 3.33Å; S727-F730 VanDerWaalsContact O-N 3.08Å; S727-F730 WeakPolarHBondContact OG-CD2 3.37Å
728	K	75.9	Confident	79.2	Confident	153 Å²	153	50.4 Å²	50.4	67%	0.665	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-52.9	-32.5	-178.1	-174.1	-177.6	175.6	-175.2	0	112.9	F730 L731	K728-F730 PolarHBondContact O-N 3.25Å; K728-L731 HydrophobicContact CB-CD1 4.49Å; K728-L731 HydrophobicContact CG-CD1 4.11Å; K728-L731 WeakPolarHBondContact O-CG 3.19Å; K728-L731 PolarHBondContact O-N 3.36Å
729	D	77.7	Confident	79.9	Confident	74 Å²	74	48.6 Å²	48.6	40%	0.396	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-68.2	-22.6	-175	-56.5	-30.8	0	0	0	112.5	K715 S727	K715-D729 VanDerWaalsContact CD-OD2 3.29Å; K715-D729 WeakPolarHBondContact CD-OD2 3.33Å; K715-D729 WeakPolarHBondContact CE-OD2 3.48Å; K715-D729 IonicContact NZ-OD1 3.47Å; K715-D729 PolarHBondContact NZ-OD1 3.47Å; K715-D729 IonicContact NZ-OD2 3.17Å; K715-D729 PolarHBondContact NZ-OD2 2.99Å; S727-D729 PolarHBondContact O-N 3.06Å
730	F	80.2	Confident	80.4	Confident	11 Å²	11	45.3 Å²	45.3	5%	0.048	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-97.4	-2.2	178.8	-68.1	-77.9	0	0	0	114.2	W574 L712 P713 V722 P725 S727 K728 A732 K733 M734 L739	W574-F730 HydrophobicContact CH2-CD1 4.03Å; W574-F730 AromaticContact CH2-CE1 3.87Å; W574-F730 HydrophobicContact CH2-CE1 3.87Å; W574-F730 AromaticContact CZ3-CD1 3.64Å; W574-F730 HydrophobicContact CZ3-CD1 3.64Å; W574-F730 AromaticContact CZ3-CE1 3.7Å; W574-F730 HydrophobicContact CZ3-CE1 3.7Å; L712-F730 HydrophobicContact CB-CE1 4.5Å; L712-F730 HydrophobicContact CB-CZ 4.29Å; L712-F730 HydrophobicContact CD1-CE1 4.44Å; L712-F730 HydrophobicContact CD1-CZ 4.37Å; P713-F730 WeakPolarHBondContact O-CZ 3.5Å; V722-F730 HydrophobicContact CB-CZ 4.49Å; V722-F730 HydrophobicContact CG1-CE2 3.52Å; V722-F730 HydrophobicContact CG1-CZ 3.86Å; V722-F730 HydrophobicContact CG2-CE2 4.16Å; V722-F730 HydrophobicContact CG2-CZ 3.81Å; P725-F730 WeakPolarHBondContact O-CB 3.27Å; S727-F730 PolarHBondContact O-N 3.33Å; S727-F730 VanDerWaalsContact O-N 3.08Å; S727-F730 WeakPolarHBondContact OG-CD2 3.37Å; K728-F730 PolarHBondContact O-N 3.25Å; F730-A732 VanDerWaalsContact C-N 3.28Å; F730-A732 PolarHBondContact O-N 3.43Å; F730-K733 HydrophobicContact CD1-CB 4.49Å; F730-K733 HydrophobicContact CD1-CG 4.36Å; F730-K733 CarbonylContact O-C 3.55Å; F730-K733 WeakPolarHBondContact O-CA 3.33Å; F730-K733 WeakPolarHBondContact O-CB 3.39Å; F730-K733 PolarHBondContact O-N 2.88Å; F730-M734 WeakPolarHBondContact O-CG 3.43Å; F730-M734 PolarHBondContact O-N 3.09Å; F730-L739 HydrophobicContact CB-CD2 4.03Å
731	L	76.5	Confident	80.6	Confident	17 Å²	17	42.6 Å²	42.6	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-37.7	179.8	-65.1	176.7	0	0	0	112.3	K728 K733 M734 E735 K756	K728-L731 HydrophobicContact CB-CD1 4.49Å; K728-L731 HydrophobicContact CG-CD1 4.11Å; K728-L731 WeakPolarHBondContact O-CG 3.19Å; K728-L731 PolarHBondContact O-N 3.36Å; L731-K733 VanDerWaalsContact C-N 3.29Å; L731-K733 PolarHBondContact O-N 3.14Å; L731-M734 HydrophobicContact CD2-CE 4.22Å; L731-M734 HydrophobicContact CD2-SD 3.99Å; L731-M734 WeakPolarHBondContact O-CB 3.32Å; L731-M734 PolarHBondContact O-N 2.99Å; L731-E735 PolarHBondContact O-N 2.96Å; L731-K756 HydrophobicContact CD2-CB 4.46Å; L731-K756 HydrophobicContact CD2-CG 4.3Å
732	A	76	Confident	79.6	Confident	57 Å²	57	40.8 Å²	40.8	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-66.9	-33	175.3	0	0	0	0	0	112.1	F730 M734 E735 D736	F730-A732 VanDerWaalsContact C-N 3.28Å; F730-A732 PolarHBondContact O-N 3.43Å; A732-M734 VanDerWaalsContact C-N 3.27Å; A732-M734 PolarHBondContact O-N 3.14Å; A732-E735 WeakPolarHBondContact O-CB 3.11Å; A732-E735 PolarHBondContact O-N 3.37Å; A732-E735 VanDerWaalsContact O-N 3.17Å; A732-D736 PolarHBondContact O-N 3.15Å
733	K	80.9	Confident	78.7	Confident	19 Å²	19	43 Å²	43	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-73.1	-21.3	176.1	-60.2	-59.4	-176.4	-178.2	0	112.9	W574 F730 L731 D736 T738 L739 Q928 F929	W574-K733 HydrophobicContact CH2-CB 4.22Å; W574-K733 HydrophobicContact CH2-CD 4.25Å; W574-K733 HydrophobicContact CH2-CG 3.88Å; W574-K733 HydrophobicContact CZ3-CB 4.19Å; W574-K733 HydrophobicContact CZ3-CG 4.31Å; F730-K733 HydrophobicContact CD1-CB 4.49Å; F730-K733 HydrophobicContact CD1-CG 4.36Å; F730-K733 CarbonylContact O-C 3.55Å; F730-K733 WeakPolarHBondContact O-CA 3.33Å; F730-K733 WeakPolarHBondContact O-CB 3.39Å; F730-K733 PolarHBondContact O-N 2.88Å; L731-K733 VanDerWaalsContact C-N 3.29Å; L731-K733 PolarHBondContact O-N 3.14Å; K733-D736 VanDerWaalsContact CA-OD1 3.27Å; K733-D736 WeakPolarHBondContact CA-OD1 3.36Å; K733-D736 WeakPolarHBondContact CD-OD2 3.23Å; K733-D736 IonicContact NZ-OD2 2.66Å; K733-T738 HydrophobicContact CD-CG2 4.48Å; K733-T738 PolarHBondContact O-N 2.96Å; K733-L739 HydrophobicContact CB-CB 4.28Å; K733-L739 PolarHBondContact O-N 3.29Å; K733-Q928 WeakPolarHBondContact CE-O 3.38Å; K733-Q928 PolarHBondContact NZ-O 3.3Å; K733-F929 PolarHBondContact NZ-O 2.86Å
734	M	79	Confident	77.5	Confident	27 Å²	27	44.3 Å²	44.3	13%	0.133	26%	0.261	C	S	.	.	H	α-helix	trans	-77	-34.6	168.7	-63.4	164.7	40.8	0	0	111.3	F730 L731 A732 G737 L739 L752 K756	F730-M734 WeakPolarHBondContact O-CG 3.43Å; F730-M734 PolarHBondContact O-N 3.09Å; L731-M734 HydrophobicContact CD2-CE 4.22Å; L731-M734 HydrophobicContact CD2-SD 3.99Å; L731-M734 WeakPolarHBondContact O-CB 3.32Å; L731-M734 PolarHBondContact O-N 2.99Å; A732-M734 VanDerWaalsContact C-N 3.27Å; A732-M734 PolarHBondContact O-N 3.14Å; M734-G737 PolarHBondContact O-N 3.36Å; M734-L739 HydrophobicContact CG-CB 4.18Å; M734-L739 HydrophobicContact CG-CD2 3.81Å; M734-L739 HydrophobicContact CG-CG 4.15Å; M734-L739 HydrophobicContact SD-CD2 4.41Å; M734-L752 HydrophobicContact CE-CD1 3.47Å; M734-L752 VanDerWaalsContact CE-CD1 3.47Å; M734-L752 HydrophobicContact CE-CD2 4.18Å; M734-L752 HydrophobicContact CE-CG 3.43Å; M734-L752 VanDerWaalsContact CE-CG 3.43Å; M734-L752 WeakPolarHBondContact CE-O 3.45Å; M734-L752 HydrophobicContact CG-CD1 4.36Å; M734-L752 HydrophobicContact CG-CD2 4.33Å; M734-L752 HydrophobicContact CG-CG 4.5Å; M734-L752 HydrophobicContact SD-CD1 3.68Å; M734-L752 HydrophobicContact SD-CG 4.18Å; M734-K756 HydrophobicContact CE-CB 4.08Å
735	E	72.9	Confident	76.3	Confident	98 Å²	98	44.2 Å²	44.2	46%	0.458	27%	0.266	S	S	.	.	H	α-helix	trans	-71.7	-43.5	178.2	-72.2	175.8	170.7	0	0	113	L731 A732 G737 K756	L731-E735 PolarHBondContact O-N 2.96Å; A732-E735 WeakPolarHBondContact O-CB 3.11Å; A732-E735 PolarHBondContact O-N 3.37Å; A732-E735 VanDerWaalsContact O-N 3.17Å; E735-G737 PolarHBondContact O-N 3.16Å; E735-K756 WeakPolarHBondContact OE1-CE 3.39Å; E735-K756 IonicContact OE1-NZ 2.95Å; E735-K756 PolarHBondContact OE1-NZ 3Å
736	D	73.6	Confident	75.7	Confident	82 Å²	82	49.6 Å²	49.6	44%	0.439	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.1	176	70.3	15.9	0	0	0	112.7	A732 K733 T738	A732-D736 PolarHBondContact O-N 3.15Å; K733-D736 VanDerWaalsContact CA-OD1 3.27Å; K733-D736 WeakPolarHBondContact CA-OD1 3.36Å; K733-D736 WeakPolarHBondContact CD-OD2 3.23Å; K733-D736 IonicContact NZ-OD2 2.66Å; D736-T738 VanDerWaalsContact C-N 3.31Å; D736-T738 VanDerWaalsContact CG-OG1 3.22Å; D736-T738 PolarHBondContact O-N 2.83Å; D736-T738 WeakPolarHBondContact OD1-CB 3.48Å; D736-T738 PolarHBondContact OD1-N 2.81Å; D736-T738 PolarHBondContact OD1-OG1 3.22Å; D736-T738 PolarHBondContact OD2-OG1 2.68Å
737	G	75.6	Confident	75.7	Confident	8 Å²	8	51.5 Å²	51.5	8%	0.082	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	16.3	179.2	0	0	0	0	0	114.4	M734 E735 R740	M734-G737 PolarHBondContact O-N 3.36Å; E735-G737 PolarHBondContact O-N 3.16Å; G737-R740 VanDerWaalsContact CA-NE 3.34Å; G737-R740 WeakPolarHBondContact O-CD 3.42Å; G737-R740 WeakPolarHBondContact O-CG 3.45Å; G737-R740 PolarHBondContact O-NE 2.7Å
738	T	82.8	Confident	75.8	Confident	10 Å²	10	49.8 Å²	49.8	6%	0.061	30%	0.297	C	S	.	.	S	Bend	trans	-64.2	-43.8	168.4	-56.8	0	0	0	0	110.6	W574 D575 K733 D736 H931	W574-T738 CarbonylContact C-O 3.59Å; W574-T738 VanDerWaalsContact CA-O 3.31Å; W574-T738 WeakPolarHBondContact CA-O 3.21Å; W574-T738 HydrophobicContact CD2-CG2 3.71Å; W574-T738 VanDerWaalsContact CE2-CG2 3.41Å; W574-T738 HydrophobicContact CE3-CG2 4.04Å; W574-T738 HydrophobicContact CG-CG2 4.3Å; W574-T738 HydrophobicContact CH2-CG2 3.93Å; W574-T738 HydrophobicContact CZ2-CG2 3.55Å; W574-T738 HydrophobicContact CZ3-CG2 4.14Å; D575-T738 PolarHBondContact N-O 3.44Å; K733-T738 HydrophobicContact CD-CG2 4.48Å; K733-T738 PolarHBondContact O-N 2.96Å; D736-T738 VanDerWaalsContact C-N 3.31Å; D736-T738 VanDerWaalsContact CG-OG1 3.22Å; D736-T738 PolarHBondContact O-N 2.83Å; D736-T738 WeakPolarHBondContact OD1-CB 3.48Å; D736-T738 PolarHBondContact OD1-N 2.81Å; D736-T738 PolarHBondContact OD1-OG1 3.22Å; D736-T738 PolarHBondContact OD2-OG1 2.68Å; T738-H931 WeakPolarHBondContact CG2-CE1 3.29Å
739	L	85.6	Confident	76.2	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.01	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.8	178.7	-179.1	64.7	0	0	0	109.8	L572 T573 W574 L579 F730 K733 M734	L572-L739 HydrophobicContact CB-CD1 4.36Å; L572-L739 HydrophobicContact CD1-CD1 4.42Å; T573-L739 WeakPolarHBondContact O-CA 3.49Å; W574-L739 HydrophobicContact CE3-CB 4.3Å; W574-L739 HydrophobicContact CE3-CD1 4.32Å; W574-L739 HydrophobicContact CZ3-CB 4.39Å; L579-L739 HydrophobicContact CD1-CD1 3.89Å; F730-L739 HydrophobicContact CB-CD2 4.03Å; K733-L739 HydrophobicContact CB-CB 4.28Å; K733-L739 PolarHBondContact O-N 3.29Å; M734-L739 HydrophobicContact CG-CB 4.18Å; M734-L739 HydrophobicContact CG-CD2 3.81Å; M734-L739 HydrophobicContact CG-CG 4.15Å; M734-L739 HydrophobicContact SD-CD2 4.41Å
740	R	84.9	Confident	76.7	Confident	97 Å²	97	45.5 Å²	45.5	37%	0.366	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	164.5	-179	-61.2	-176.2	-171.2	-169	-1.1	111.4	L572 T573 G737	L572-R740 CarbonylContact C-O 3.59Å; L572-R740 WeakPolarHBondContact CA-O 3.35Å; T573-R740 PolarHBondContact N-O 3.19Å; T573-R740 PolarHBondContact O-N 2.81Å; T573-R740 PolarHBondContact OG1-O 2.78Å; G737-R740 VanDerWaalsContact CA-NE 3.34Å; G737-R740 WeakPolarHBondContact O-CD 3.42Å; G737-R740 WeakPolarHBondContact O-CG 3.45Å; G737-R740 PolarHBondContact O-NE 2.7Å
741	A	83.6	Confident	77	Confident	17 Å²	17	45 Å²	45	14%	0.14	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.2	163.2	0	0	0	0	0	108.5	L572 A748	L572-A741 HydrophobicContact CD2-CB 4.46Å; A741-A748 HydrophobicContact CB-CB 3.75Å
742	G	65.6	Low	77.4	Confident	33 Å²	33	44.7 Å²	44.7	34%	0.34	28%	0.275	S	S	.	.	S	Bend	trans	-79.1	-18.4	-177.9	0	0	0	0	0	114.1	G571	G571-G742 VanDerWaalsContact O-CA 3.26Å; G571-G742 WeakPolarHBondContact O-CA 3.45Å; G571-G742 PolarHBondContact O-N 2.85Å
743	R	64.9	Low	78	Confident	51 Å²	51	46.2 Å²	46.2	19%	0.192	27%	0.272	C	S	.	.	S	Bend	trans	-78.9	119.8	168.4	-68.4	-178.2	174.6	-163.2	-3	107.7	D453 L456 G745	D453-R743 IonicContact OD1-NH2 2.84Å; D453-R743 IonicContact OD2-CZ 2.72Å; D453-R743 IonicContact OD2-NH2 3.64Å; D453-R743 PolarHBondContact OD2-NH2 3.02Å; L456-R743 VanDerWaalsContact CD1-NH2 3.26Å; R743-G745 PolarHBondContact O-N 3.11Å
744	G	55.3	Low	78.4	Confident	93 Å²	93	45.3 Å²	45.3	96%	0.959	27%	0.268	S	S	*	.			trans	-62.7	19.6	173.9	0	0	0	0	0	115.3
745	G	61.2	Low	78.8	Confident	35 Å²	35	44 Å²	44	36%	0.361	26%	0.262	S	S	.	.			trans	-83.3	133.6	175.8	0	0	0	0	0	111.3	R743 N747 A748	R743-G745 PolarHBondContact O-N 3.11Å; G745-N747 PolarHBondContact O-N 3.1Å; G745-N747 VanDerWaalsContact O-N 3.16Å; G745-A748 PolarHBondContact O-N 2.63Å
746	T	71.8	Confident	79.4	Confident	114 Å²	114	41.3 Å²	41.3	70%	0.699	25%	0.249	S	C	*	.	H	α-helix	trans	-53.8	-34.2	177.2	50	0	0	0	0	112.8	R750	T746-R750 WeakPolarHBondContact O-CB 3.47Å; T746-R750 PolarHBondContact O-N 2.87Å
747	N	83.5	Confident	80.2	Confident	47 Å²	47	39.1 Å²	39.1	25%	0.251	24%	0.236	S	C	.	.	H	α-helix	trans	-67.1	-40.1	-174.4	-68.8	-27.8	0	0	0	114.4	L437 G745 A751	L437-N747 HydrophobicContact CD2-CB 4.35Å; L437-N747 HydrophobicContact CG-CB 4.34Å; G745-N747 PolarHBondContact O-N 3.1Å; G745-N747 VanDerWaalsContact O-N 3.16Å; N747-A751 VanDerWaalsContact O-CB 3.32Å; N747-A751 WeakPolarHBondContact O-CB 3.36Å; N747-A751 PolarHBondContact O-N 3.32Å
748	A	83.7	Confident	80.9	Confident	0 Å²	0	39 Å²	39	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-74.3	-43.6	-177.6	0	0	0	0	0	111.4	L437 M570 A741 G745 R750 A751 L752	L437-A748 HydrophobicContact CD1-CB 3.95Å; L437-A748 HydrophobicContact CD2-CB 4.43Å; M570-A748 HydrophobicContact CB-CB 4.27Å; M570-A748 WeakPolarHBondContact CE-O 3.38Å; A741-A748 HydrophobicContact CB-CB 3.75Å; G745-A748 PolarHBondContact O-N 2.63Å; A748-R750 VanDerWaalsContact C-N 3.35Å; A748-A751 PolarHBondContact O-N 3.42Å; A748-L752 WeakPolarHBondContact O-CB 3.44Å; A748-L752 PolarHBondContact O-N 3.16Å
749	T	85	Confident	81	Confident	60 Å²	60	38.8 Å²	38.8	37%	0.368	23%	0.232	S	C	.	.	H	α-helix	trans	-60.5	-46.1	173	-53.3	0	0	0	0	110.8	A751 L752 E753	T749-A751 PolarHBondContact O-N 3.14Å; T749-L752 WeakPolarHBondContact O-CB 3.37Å; T749-L752 PolarHBondContact O-N 2.94Å; T749-L752 VanDerWaalsContact O-N 3.17Å; T749-E753 WeakPolarHBondContact O-CG 3.42Å; T749-E753 PolarHBondContact O-N 3Å
750	R	87.5	Confident	81.2	Confident	77 Å²	77	40.6 Å²	40.6	29%	0.291	24%	0.24	S	C	.	.	H	α-helix	trans	-61.3	-45	177.3	-177.9	58.9	179.1	168.2	5.3	112.5	E429 T746 A748 L752 E753 I754	E429-R750 IonicContact OE1-CZ 3.54Å; E429-R750 IonicContact OE1-NE 3.92Å; E429-R750 PolarHBondContact OE1-NE 3Å; E429-R750 IonicContact OE1-NH2 3.56Å; E429-R750 PolarHBondContact OE1-NH2 2.86Å; E429-R750 IonicContact OE2-CZ 2.73Å; E429-R750 IonicContact OE2-NE 3.78Å; E429-R750 IonicContact OE2-NH2 3.67Å; E429-R750 PolarHBondContact OE2-NH2 2.94Å; T746-R750 WeakPolarHBondContact O-CB 3.47Å; T746-R750 PolarHBondContact O-N 2.87Å; A748-R750 VanDerWaalsContact C-N 3.35Å; R750-L752 VanDerWaalsContact C-N 3.25Å; R750-L752 PolarHBondContact O-N 3.15Å; R750-E753 IonicContact NH1-OE2 3.97Å; R750-E753 WeakPolarHBondContact O-CB 3.42Å; R750-E753 PolarHBondContact O-N 2.52Å; R750-I754 HydrophobicContact CG-CD1 3.88Å; R750-I754 HydrophobicContact CG-CG1 4.41Å; R750-I754 VanDerWaalsContact O-CG1 3.23Å; R750-I754 WeakPolarHBondContact O-CG1 3.16Å; R750-I754 PolarHBondContact O-N 3.39Å
751	A	87.1	Confident	81.5	Confident	0 Å²	0	36 Å²	36	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-35.2	176.3	0	0	0	0	0	112.5	M430 L434 M570 N747 A748 T749 N755	M430-A751 HydrophobicContact CG-CB 4.11Å; L434-A751 HydrophobicContact CD2-CB 4.47Å; M570-A751 HydrophobicContact CE-CB 3.89Å; N747-A751 VanDerWaalsContact O-CB 3.32Å; N747-A751 WeakPolarHBondContact O-CB 3.36Å; N747-A751 PolarHBondContact O-N 3.32Å; A748-A751 PolarHBondContact O-N 3.42Å; T749-A751 PolarHBondContact O-N 3.14Å; A751-N755 PolarHBondContact O-N 2.62Å
752	L	85.5	Confident	81.8	Confident	12 Å²	12	40.1 Å²	40.1	6%	0.063	24%	0.235	C	C	.	.	H	α-helix	trans	-69.3	-42.5	176.2	-170.6	64.5	0	0	0	111.7	M570 L572 F726 M734 A748 T749 R750 N755 K756	M570-L752 HydrophobicContact CE-CB 3.85Å; M570-L752 HydrophobicContact CE-CD1 4.43Å; L572-L752 HydrophobicContact CD2-CD2 4.4Å; F726-L752 HydrophobicContact CD1-CD1 4.02Å; F726-L752 HydrophobicContact CE1-CD1 3.96Å; M734-L752 HydrophobicContact CE-CD1 3.47Å; M734-L752 VanDerWaalsContact CE-CD1 3.47Å; M734-L752 HydrophobicContact CE-CD2 4.18Å; M734-L752 HydrophobicContact CE-CG 3.43Å; M734-L752 VanDerWaalsContact CE-CG 3.43Å; M734-L752 WeakPolarHBondContact CE-O 3.45Å; M734-L752 HydrophobicContact CG-CD1 4.36Å; M734-L752 HydrophobicContact CG-CD2 4.33Å; M734-L752 HydrophobicContact CG-CG 4.5Å; M734-L752 HydrophobicContact SD-CD1 3.68Å; M734-L752 HydrophobicContact SD-CG 4.18Å; A748-L752 WeakPolarHBondContact O-CB 3.44Å; A748-L752 PolarHBondContact O-N 3.16Å; T749-L752 WeakPolarHBondContact O-CB 3.37Å; T749-L752 PolarHBondContact O-N 2.94Å; T749-L752 VanDerWaalsContact O-N 3.17Å; R750-L752 VanDerWaalsContact C-N 3.25Å; R750-L752 PolarHBondContact O-N 3.15Å; L752-N755 PolarHBondContact O-N 3.11Å; L752-K756 PolarHBondContact O-N 2.81Å; L752-K756 VanDerWaalsContact O-N 3.13Å
753	E	87.2	Confident	82.8	Confident	88 Å²	88	42.5 Å²	42.5	41%	0.411	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-44.5	171.8	-71.2	174.4	-176.2	0	0	112	T749 R750 N755 K756 M757	T749-E753 WeakPolarHBondContact O-CG 3.42Å; T749-E753 PolarHBondContact O-N 3Å; R750-E753 IonicContact NH1-OE2 3.97Å; R750-E753 WeakPolarHBondContact O-CB 3.42Å; R750-E753 PolarHBondContact O-N 2.52Å; E753-N755 PolarHBondContact O-N 3.5Å; E753-K756 WeakPolarHBondContact O-CA 3.37Å; E753-K756 WeakPolarHBondContact O-CB 3.26Å; E753-K756 PolarHBondContact O-N 3.36Å; E753-K756 VanDerWaalsContact O-N 3.12Å; E753-M757 WeakPolarHBondContact O-CG 2.84Å; E753-M757 PolarHBondContact O-N 3.33Å
754	I	90.1	Very high	83.9	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-62.3	-44.2	178.4	-68.3	166.1	0	0	0	110.9	L426 E429 M430 R750 K756 M757 M758	L426-I754 HydrophobicContact CB-CG2 3.78Å; L426-I754 HydrophobicContact CD2-CG1 4.1Å; L426-I754 HydrophobicContact CD2-CG2 4.31Å; L426-I754 WeakPolarHBondContact O-CG2 3.41Å; E429-I754 HydrophobicContact CB-CD1 4.05Å; E429-I754 HydrophobicContact CG-CD1 3.81Å; M430-I754 HydrophobicContact CB-CB 4.3Å; M430-I754 HydrophobicContact CB-CD1 4.18Å; M430-I754 HydrophobicContact CB-CG2 3.75Å; M430-I754 HydrophobicContact CG-CG2 4.35Å; M430-I754 HydrophobicContact SD-CG2 4.25Å; R750-I754 HydrophobicContact CG-CD1 3.88Å; R750-I754 HydrophobicContact CG-CG1 4.41Å; R750-I754 VanDerWaalsContact O-CG1 3.23Å; R750-I754 WeakPolarHBondContact O-CG1 3.16Å; R750-I754 PolarHBondContact O-N 3.39Å; I754-K756 PolarHBondContact O-N 3.1Å; I754-M757 WeakPolarHBondContact O-CB 3.37Å; I754-M757 PolarHBondContact O-N 3.28Å; I754-M757 VanDerWaalsContact O-N 3.07Å; I754-M758 HydrophobicContact CG2-CE 3.53Å; I754-M758 HydrophobicContact CG2-CG 4.23Å; I754-M758 HydrophobicContact CG2-SD 3.93Å; I754-M758 WeakPolarHBondContact O-CG 3.34Å; I754-M758 PolarHBondContact O-N 3.03Å
755	N	87.8	Confident	85.6	Confident	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-37.6	175	176.8	60.3	0	0	0	111.9	M430 L561 A751 L752 E753 S759	M430-N755 HydrophobicContact SD-CB 4.28Å; L561-N755 HydrophobicContact CD1-CB 3.92Å; L561-N755 WeakPolarHBondContact CD1-OD1 3.45Å; A751-N755 PolarHBondContact O-N 2.62Å; L752-N755 PolarHBondContact O-N 3.11Å; E753-N755 PolarHBondContact O-N 3.5Å; N755-S759 WeakPolarHBondContact O-CB 3.29Å; N755-S759 PolarHBondContact O-N 3.41Å; N755-S759 VanDerWaalsContact O-N 3.11Å; N755-S759 PolarHBondContact O-OG 3.29Å
756	K	85.6	Confident	87	Confident	41 Å²	41	44.4 Å²	44.4	18%	0.178	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-48.1	173.4	-168.5	-167.3	-170.2	-157	0	110.9	L731 M734 E735 L752 E753 I754 M758 S759 D828	L731-K756 HydrophobicContact CD2-CB 4.46Å; L731-K756 HydrophobicContact CD2-CG 4.3Å; M734-K756 HydrophobicContact CE-CB 4.08Å; E735-K756 WeakPolarHBondContact OE1-CE 3.39Å; E735-K756 IonicContact OE1-NZ 2.95Å; E735-K756 PolarHBondContact OE1-NZ 3Å; L752-K756 PolarHBondContact O-N 2.81Å; L752-K756 VanDerWaalsContact O-N 3.13Å; E753-K756 WeakPolarHBondContact O-CA 3.37Å; E753-K756 WeakPolarHBondContact O-CB 3.26Å; E753-K756 PolarHBondContact O-N 3.36Å; E753-K756 VanDerWaalsContact O-N 3.12Å; I754-K756 PolarHBondContact O-N 3.1Å; K756-M758 PolarHBondContact O-N 3.36Å; K756-S759 PolarHBondContact O-N 3.04Å; K756-D828 WeakPolarHBondContact CE-OD2 3.48Å; K756-D828 IonicContact NZ-OD2 3.33Å; K756-D828 PolarHBondContact NZ-OD2 2.95Å
757	M	89.1	Confident	87.9	Confident	35 Å²	35	44 Å²	44	17%	0.172	20%	0.2	C	C	.	.	H	α-helix	trans	-60.5	-42.7	179.7	-67	177.3	-175.4	0	0	113.5	L426 E753 I754 D828 V830 P1160	L426-M757 HydrophobicContact CD1-CB 4.17Å; E753-M757 WeakPolarHBondContact O-CG 2.84Å; E753-M757 PolarHBondContact O-N 3.33Å; I754-M757 WeakPolarHBondContact O-CB 3.37Å; I754-M757 PolarHBondContact O-N 3.28Å; I754-M757 VanDerWaalsContact O-N 3.07Å; M757-D828 WeakPolarHBondContact CA-O 3.45Å; M757-V830 HydrophobicContact CB-CG2 4.21Å; M757-V830 PolarHBondContact O-N 3.02Å; M757-P1160 HydrophobicContact CG-CG 4.36Å; M757-P1160 HydrophobicContact SD-CG 4.31Å
758	M	90.4	Very high	88.4	Confident	5 Å²	5	41.9 Å²	41.9	3%	0.025	19%	0.189	C	C	.	.	H	α-helix	trans	-80.4	-18.7	-177.4	-66.7	-172.7	-55.7	0	0	114.2	Y423 L426 E427 M430 I754 K756 F760 W761 R762	Y423-M758 HydrophobicContact CD2-CB 3.93Å; Y423-M758 HydrophobicContact CD2-CG 3.82Å; Y423-M758 HydrophobicContact CD2-SD 4.05Å; Y423-M758 HydrophobicContact CE2-CB 3.87Å; Y423-M758 HydrophobicContact CE2-CG 4.07Å; Y423-M758 HydrophobicContact CE2-SD 3.96Å; L426-M758 HydrophobicContact CB-CG 4.01Å; L426-M758 HydrophobicContact CB-SD 3.84Å; L426-M758 HydrophobicContact CD1-CG 4.29Å; E427-M758 HydrophobicContact CB-SD 3.92Å; E427-M758 PolarHBondContact N-SD 3.5Å; M430-M758 HydrophobicContact CE-CE 3.49Å; M430-M758 VanDerWaalsContact CE-CE 3.49Å; M430-M758 HydrophobicContact SD-CE 3.52Å; M430-M758 VanDerWaalsContact SD-CE 3.52Å; I754-M758 HydrophobicContact CG2-CE 3.53Å; I754-M758 HydrophobicContact CG2-CG 4.23Å; I754-M758 HydrophobicContact CG2-SD 3.93Å; I754-M758 WeakPolarHBondContact O-CG 3.34Å; I754-M758 PolarHBondContact O-N 3.03Å; K756-M758 PolarHBondContact O-N 3.36Å; M758-F760 PolarHBondContact O-N 3.48Å; M758-F760 VanDerWaalsContact O-N 3.16Å; M758-W761 PolarHBondContact O-N 3.24Å; M758-R762 WeakPolarHBondContact O-CB 3.36Å; M758-R762 PolarHBondContact O-N 3.37Å
759	S	86.6	Confident	88.7	Confident	7 Å²	7	44.7 Å²	44.7	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-31.5	-171.3	-79.6	0	0	0	0	114	N755 K756 N763	N755-S759 WeakPolarHBondContact O-CB 3.29Å; N755-S759 PolarHBondContact O-N 3.41Å; N755-S759 VanDerWaalsContact O-N 3.11Å; N755-S759 PolarHBondContact O-OG 3.29Å; K756-S759 PolarHBondContact O-N 3.04Å; S759-N763 PolarHBondContact O-ND2 3.22Å
760	F	89.1	Confident	88.9	Confident	40 Å²	40	45 Å²	45	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-72.8	-57.9	175.6	176.9	-96.2	0	0	0	111.4	M758 R762 N763 A764 S823 R829 V830 G831	M758-F760 PolarHBondContact O-N 3.48Å; M758-F760 VanDerWaalsContact O-N 3.16Å; F760-R762 VanDerWaalsContact C-N 3.32Å; F760-R762 PolarHBondContact O-N 3.07Å; F760-N763 PolarHBondContact O-N 3.48Å; F760-A764 HydrophobicContact CD1-CB 4.33Å; F760-A764 HydrophobicContact CE1-CB 3.9Å; F760-A764 HydrophobicContact CE2-CB 4.25Å; F760-A764 HydrophobicContact CZ-CB 3.87Å; F760-A764 WeakPolarHBondContact O-CB 2.98Å; F760-A764 PolarHBondContact O-N 2.93Å; F760-S823 WeakPolarHBondContact CE2-OG 3.47Å; F760-S823 VanDerWaalsContact CZ-OG 3.27Å; F760-S823 WeakPolarHBondContact CZ-OG 3.31Å; F760-R829 HydrophobicContact CB-CB 4.18Å; F760-R829 HydrophobicContact CB-CG 4.38Å; F760-V830 WeakPolarHBondContact CD1-O 3.47Å; F760-G831 VanDerWaalsContact CE1-O 3.25Å; F760-G831 WeakPolarHBondContact CE1-O 3.29Å
761	W	91.9	Very high	89.1	Confident	1 Å²	1	42.7 Å²	42.7	0%	0.004	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-44.2	-177.4	-168.6	-107.9	0	0	0	112.3	Y415 L416 S419 Q420 Y423 M758 N763 A764 H765 I768 V830	Y415-W761 HydrophobicContact CE1-CH2 4.43Å; Y415-W761 HydrophobicContact CE1-CZ3 4.37Å; Y415-W761 AromaticContact CZ-CZ3 3.96Å; Y415-W761 WeakPolarHBondContact OH-CZ3 3.45Å; L416-W761 HydrophobicContact CD2-CH2 4.11Å; S419-W761 VanDerWaalsContact CB-CZ2 3.47Å; Q420-W761 HydrophobicContact CB-CZ2 4.48Å; Y423-W761 HydrophobicContact CD2-CB 4.26Å; Y423-W761 AromaticContact CD2-CD1 3.67Å; Y423-W761 HydrophobicContact CD2-CG 4.33Å; Y423-W761 AromaticContact CG-CD1 3.5Å; Y423-W761 VanDerWaalsContact CG-CD1 3.5Å; Y423-W761 HydrophobicContact CG-CG 4.44Å; M758-W761 PolarHBondContact O-N 3.24Å; W761-N763 PolarHBondContact O-N 2.86Å; W761-N763 VanDerWaalsContact O-N 3.08Å; W761-A764 PolarHBondContact O-N 3.48Å; W761-H765 HydrophobicContact CD2-CB 3.86Å; W761-H765 HydrophobicContact CE3-CB 4.47Å; W761-H765 HydrophobicContact CG-CB 4.16Å; W761-H765 HydrophobicContact CZ2-CB 3.9Å; W761-H765 WeakPolarHBondContact O-CB 3.28Å; W761-H765 PolarHBondContact O-N 3.18Å; W761-I768 HydrophobicContact CE3-CD1 4.5Å; W761-I768 HydrophobicContact CZ3-CD1 4.07Å; W761-V830 HydrophobicContact CB-CB 4.26Å; W761-V830 HydrophobicContact CB-CG1 4.31Å; W761-V830 HydrophobicContact CG-CG1 4.38Å
762	R	88.5	Confident	89.2	Confident	103 Å²	103	43.7 Å²	43.7	39%	0.389	21%	0.21	S	C	.	.	H	α-helix	trans	-52.6	-37.2	177.1	-173.8	175.5	65.6	-161	-6.4	113.3	Y423 M758 F760	Y423-R762 HydrophobicContact CE2-CB 4.32Å; M758-R762 WeakPolarHBondContact O-CB 3.36Å; M758-R762 PolarHBondContact O-N 3.37Å; F760-R762 VanDerWaalsContact C-N 3.32Å; F760-R762 PolarHBondContact O-N 3.07Å
763	N	87	Confident	89.5	Confident	83 Å²	83	44 Å²	44	44%	0.444	21%	0.213	S	C	.	.	H	α-helix	trans	-90.7	-24	-178.4	-68.1	-42.2	0	0	0	113.5	S759 F760 W761 R767	S759-N763 PolarHBondContact O-ND2 3.22Å; F760-N763 PolarHBondContact O-N 3.48Å; W761-N763 PolarHBondContact O-N 2.86Å; W761-N763 VanDerWaalsContact O-N 3.08Å; N763-R767 PolarHBondContact O-NH1 2.82Å; N763-R767 PolarHBondContact O-NH2 3.25Å
764	A	89.1	Confident	89.7	Confident	4 Å²	4	39.9 Å²	39.9	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-102	-34.6	-171.7	0	0	0	0	0	113.1	F760 W761 K766 R767 I768	F760-A764 HydrophobicContact CD1-CB 4.33Å; F760-A764 HydrophobicContact CE1-CB 3.9Å; F760-A764 HydrophobicContact CE2-CB 4.25Å; F760-A764 HydrophobicContact CZ-CB 3.87Å; F760-A764 WeakPolarHBondContact O-CB 2.98Å; F760-A764 PolarHBondContact O-N 2.93Å; W761-A764 PolarHBondContact O-N 3.48Å; A764-K766 VanDerWaalsContact C-N 3.32Å; A764-K766 PolarHBondContact O-N 3.26Å; A764-K766 VanDerWaalsContact O-N 3.12Å; A764-R767 PolarHBondContact O-N 3.21Å; A764-I768 HydrophobicContact CB-CD1 3.81Å; A764-I768 HydrophobicContact CB-CG1 4.35Å; A764-I768 WeakPolarHBondContact O-CG1 3.45Å; A764-I768 PolarHBondContact O-N 2.87Å
765	H	90.4	Very high	89.8	Confident	53 Å²	53	41 Å²	41	25%	0.245	20%	0.198	C	C	.	.	H	α-helix	trans	-52.1	-46.8	-166.2	92.7	-87.6	0	0	0	112.5	W761 R767 I768 S769	W761-H765 HydrophobicContact CD2-CB 3.86Å; W761-H765 HydrophobicContact CE3-CB 4.47Å; W761-H765 HydrophobicContact CG-CB 4.16Å; W761-H765 HydrophobicContact CZ2-CB 3.9Å; W761-H765 WeakPolarHBondContact O-CB 3.28Å; W761-H765 PolarHBondContact O-N 3.18Å; H765-R767 PolarHBondContact O-N 3.19Å; H765-R767 VanDerWaalsContact O-N 3.15Å; H765-I768 CarbonylContact O-C 3.53Å; H765-I768 PolarHBondContact O-N 2.96Å; H765-S769 WeakPolarHBondContact O-CB 3.48Å; H765-S769 PolarHBondContact O-N 3.14Å; H765-S769 PolarHBondContact O-OG 3.03Å; H765-S769 VanDerWaalsContact O-OG 3.06Å
766	K	90.5	Very high	89.9	Confident	161 Å²	161	41.8 Å²	41.8	70%	0.7	20%	0.202	S	C	*	.	H	α-helix	trans	-55.9	-38.1	180	-66.6	-167.7	178	-174	0	113.2	A764 S770	A764-K766 VanDerWaalsContact C-N 3.32Å; A764-K766 PolarHBondContact O-N 3.26Å; A764-K766 VanDerWaalsContact O-N 3.12Å; K766-S770 WeakPolarHBondContact O-CB 3.46Å; K766-S770 PolarHBondContact O-N 3.5Å; K766-S770 PolarHBondContact O-OG 3.14Å; K766-S770 VanDerWaalsContact O-OG 3.09Å
767	R	91.2	Very high	90.1	Very high	105 Å²	105	46.8 Å²	46.8	40%	0.396	22%	0.22	S	C	.	.	H	α-helix	trans	-76.4	-30	179.1	-63.9	-165.4	-63	-74	-6.8	112.5	N763 A764 H765 S770 Q771 T818	N763-R767 PolarHBondContact O-NH1 2.82Å; N763-R767 PolarHBondContact O-NH2 3.25Å; A764-R767 PolarHBondContact O-N 3.21Å; H765-R767 PolarHBondContact O-N 3.19Å; H765-R767 VanDerWaalsContact O-N 3.15Å; R767-S770 PolarHBondContact O-OG 3.42Å; R767-Q771 PolarHBondContact O-NE2 3.3Å; R767-T818 PolarHBondContact O-OG1 3.29Å
768	I	92.4	Very high	90	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-78.8	-50.1	179.3	-56.4	177.1	0	0	0	109.8	W412 Y415 L416 W761 A764 H765 S770 Q771 T818 M834	W412-I768 HydrophobicContact CH2-CG2 3.81Å; W412-I768 HydrophobicContact CZ2-CG2 3.87Å; Y415-I768 HydrophobicContact CE1-CG2 4.18Å; L416-I768 HydrophobicContact CD2-CG2 3.82Å; W761-I768 HydrophobicContact CE3-CD1 4.5Å; W761-I768 HydrophobicContact CZ3-CD1 4.07Å; A764-I768 HydrophobicContact CB-CD1 3.81Å; A764-I768 HydrophobicContact CB-CG1 4.35Å; A764-I768 WeakPolarHBondContact O-CG1 3.45Å; A764-I768 PolarHBondContact O-N 2.87Å; H765-I768 CarbonylContact O-C 3.53Å; H765-I768 PolarHBondContact O-N 2.96Å; I768-S770 PolarHBondContact O-N 3.3Å; I768-Q771 WeakPolarHBondContact O-CB 3.09Å; I768-Q771 WeakPolarHBondContact O-CG 2.89Å; I768-Q771 PolarHBondContact O-N 3.2Å; I768-Q771 VanDerWaalsContact O-N 3.16Å; I768-T818 HydrophobicContact CG1-CG2 4.4Å; I768-M834 HydrophobicContact CB-SD 4.27Å; I768-M834 HydrophobicContact CD1-CG 4.47Å; I768-M834 HydrophobicContact CD1-SD 3.55Å; I768-M834 VanDerWaalsContact CD1-SD 3.55Å; I768-M834 HydrophobicContact CG1-SD 3.52Å; I768-M834 VanDerWaalsContact CG1-SD 3.52Å; I768-M834 HydrophobicContact CG2-CG 4.3Å; I768-M834 HydrophobicContact CG2-SD 3.82Å
769	S	90	Very high	89.7	Confident	59 Å²	59	53.2 Å²	53.2	41%	0.413	27%	0.269	S	S	.	.	H	α-helix	trans	-66.8	-22.5	178.6	-51.8	0	0	0	0	112.9	H765 Q771	H765-S769 WeakPolarHBondContact O-CB 3.48Å; H765-S769 PolarHBondContact O-N 3.14Å; H765-S769 PolarHBondContact O-OG 3.03Å; H765-S769 VanDerWaalsContact O-OG 3.06Å; S769-Q771 VanDerWaalsContact C-N 3.29Å
770	S	89.3	Confident	89.7	Confident	66 Å²	66	54.7 Å²	54.7	46%	0.462	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.3	175.6	72.7	0	0	0	0	114	K766 R767 I768 M772	K766-S770 WeakPolarHBondContact O-CB 3.46Å; K766-S770 PolarHBondContact O-N 3.5Å; K766-S770 PolarHBondContact O-OG 3.14Å; K766-S770 VanDerWaalsContact O-OG 3.09Å; R767-S770 PolarHBondContact O-OG 3.42Å; I768-S770 PolarHBondContact O-N 3.3Å; S770-M772 PolarHBondContact O-N 2.94Å
771	Q	91.4	Very high	89.7	Confident	29 Å²	29	53.3 Å²	53.3	14%	0.136	27%	0.269	C	S	.	.	S	Bend	trans	-67	132.5	178	-64	-59.9	-60.7	0	0	110	W412 R767 I768 S769 V773 I800 T818 W819	W412-Q771 HydrophobicContact CZ2-CB 4.31Å; W412-Q771 HydrophobicContact CZ2-CG 4.43Å; R767-Q771 PolarHBondContact O-NE2 3.3Å; I768-Q771 WeakPolarHBondContact O-CB 3.09Å; I768-Q771 WeakPolarHBondContact O-CG 2.89Å; I768-Q771 PolarHBondContact O-N 3.2Å; I768-Q771 VanDerWaalsContact O-N 3.16Å; S769-Q771 VanDerWaalsContact C-N 3.29Å; Q771-V773 PolarHBondContact O-N 2.84Å; Q771-I800 HydrophobicContact CB-CD1 4.31Å; Q771-I800 HydrophobicContact CB-CG2 4.44Å; Q771-T818 HydrophobicContact CG-CG2 4.27Å; Q771-T818 PolarHBondContact NE2-OG1 3.42Å; Q771-W819 HydrophobicContact CG-CZ2 4.46Å
772	M	89.4	Confident	89.5	Confident	21 Å²	21	54.6 Å²	54.6	10%	0.103	28%	0.277	C	S	.	.			trans	-81.6	112.5	178.4	-170.9	167.5	72.7	0	0	110.1	Q178 L210 S247 F248 Y253 S770	Q178-M772 HydrophobicContact CB-SD 4.41Å; L210-M772 HydrophobicContact CD1-CG 3.96Å; L210-M772 HydrophobicContact CD1-SD 4.26Å; L210-M772 HydrophobicContact CD2-SD 4.48Å; S247-M772 WeakPolarHBondContact O-CE 3.37Å; F248-M772 HydrophobicContact CD1-CE 4.05Å; F248-M772 HydrophobicContact CD1-SD 4.35Å; F248-M772 HydrophobicContact CE1-CE 3.91Å; F248-M772 HydrophobicContact CE1-SD 3.84Å; Y253-M772 WeakPolarHBondContact OH-CE 3.49Å; S770-M772 PolarHBondContact O-N 2.94Å
773	V	91.9	Very high	89.4	Confident	19 Å²	19	57.3 Å²	57.3	12%	0.115	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.5	176.8	-173.2	0	0	0	0	109.2	V408 W412 Q771 W775 I800	V408-V773 HydrophobicContact CG2-CG1 3.72Å; W412-V773 HydrophobicContact CG-CG2 4.4Å; Q771-V773 PolarHBondContact O-N 2.84Å; V773-W775 HydrophobicContact CG1-CD2 4.19Å; V773-W775 HydrophobicContact CG1-CE3 4.39Å; V773-W775 HydrophobicContact CG1-CH2 3.86Å; V773-W775 HydrophobicContact CG1-CZ2 3.62Å; V773-W775 HydrophobicContact CG1-CZ3 4.23Å; V773-I800 HydrophobicContact CB-CG1 4.44Å; V773-I800 HydrophobicContact CG2-CD1 3.89Å; V773-I800 HydrophobicContact CG2-CG1 3.82Å
774	L	92.5	Very high	89.4	Confident	1 Å²	1	55.6 Å²	55.6	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.7	173.8	-173.7	132.7	0	0	0	110.9	L210 L212 L215 Y253 L776 G798 A799	L210-L774 HydrophobicContact CB-CD1 4.44Å; L212-L774 HydrophobicContact CD2-CD1 4.28Å; L212-L774 HydrophobicContact CD2-CD2 3.38Å; L212-L774 HydrophobicContact CD2-CG 4.47Å; L212-L774 HydrophobicContact CG-CD2 3.88Å; L215-L774 HydrophobicContact CD1-CD1 3.46Å; L215-L774 VanDerWaalsContact CD1-CD1 3.46Å; L215-L774 HydrophobicContact CD2-CD1 4.47Å; L215-L774 HydrophobicContact CG-CD1 3.83Å; Y253-L774 HydrophobicContact CD1-CB 3.6Å; Y253-L774 HydrophobicContact CD1-CD2 4Å; Y253-L774 HydrophobicContact CD1-CG 4.31Å; Y253-L774 HydrophobicContact CD2-CD1 4.49Å; Y253-L774 HydrophobicContact CD2-CD2 4.5Å; Y253-L774 HydrophobicContact CE1-CB 3.57Å; Y253-L774 HydrophobicContact CG-CB 4.2Å; Y253-L774 HydrophobicContact CG-CD2 3.87Å; Y253-L774 HydrophobicContact CG-CG 4.45Å; L774-L776 HydrophobicContact CD2-CD2 3.86Å; L774-G798 CarbonylContact O-C 3.5Å; L774-G798 WeakPolarHBondContact O-CA 3.39Å; L774-A799 PolarHBondContact N-O 3.48Å; L774-A799 VanDerWaalsContact N-O 3.15Å; L774-A799 PolarHBondContact O-N 3.38Å
775	W	91.9	Very high	89.5	Confident	25 Å²	25	55.4 Å²	55.4	10%	0.095	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.7	-179.1	-56.4	113.7	0	0	0	110.9	V408 N409 W412 D413 V773 Q796	V408-W775 HydrophobicContact CG2-CZ3 4.35Å; N409-W775 VanDerWaalsContact C-CZ3 3.46Å; N409-W775 VanDerWaalsContact O-CH2 3.31Å; N409-W775 WeakPolarHBondContact O-CH2 3.38Å; W412-W775 HydrophobicContact CB-CH2 4.48Å; D413-W775 WeakPolarHBondContact OD2-CZ2 3.41Å; V773-W775 HydrophobicContact CG1-CD2 4.19Å; V773-W775 HydrophobicContact CG1-CE3 4.39Å; V773-W775 HydrophobicContact CG1-CH2 3.86Å; V773-W775 HydrophobicContact CG1-CZ2 3.62Å; V773-W775 HydrophobicContact CG1-CZ3 4.23Å; W775-Q796 HydrophobicContact CD2-CB 4.15Å; W775-Q796 HydrophobicContact CE3-CB 3.71Å; W775-Q796 HydrophobicContact CZ3-CB 4Å
776	L	90.6	Very high	89.4	Confident	17 Å²	17	54 Å²	54	9%	0.089	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	137.5	-179.9	-61.7	174.9	0	0	0	110.6	L212 L774 L781 Y797	L212-L776 HydrophobicContact CD1-CD2 3.87Å; L212-L776 HydrophobicContact CD2-CD2 4.18Å; L212-L776 HydrophobicContact CG-CD2 4.02Å; L774-L776 HydrophobicContact CD2-CD2 3.86Å; L776-L781 HydrophobicContact CB-CD2 3.94Å; L776-L781 HydrophobicContact CB-CG 4.25Å; L776-L781 HydrophobicContact CD1-CD2 3.78Å; L776-Y797 PolarHBondContact N-O 3.29Å
777	R	88.9	Confident	89.4	Confident	145 Å²	145	55.5 Å²	55.5	55%	0.547	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-78	156.6	174.4	-59.8	177.2	-178.4	172	3.3	110.6	G779 E780 L781	R777-G779 PolarHBondContact O-N 3.38Å; R777-E780 HydrophobicContact CB-CG 4.23Å; R777-E780 PolarHBondContact N-OE2 3.48Å; R777-E780 WeakPolarHBondContact O-CA 3.43Å; R777-E780 WeakPolarHBondContact O-CB 3.47Å; R777-E780 PolarHBondContact O-N 2.89Å; R777-L781 PolarHBondContact O-N 3.22Å
778	K	87.2	Confident	89.5	Confident	99 Å²	99	53.6 Å²	53.6	43%	0.43	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-35.3	178	-173.5	173.2	-177	174.9	0	114.1	E780 Y791 E793	K778-E780 VanDerWaalsContact C-N 3.32Å; K778-Y791 HydrophobicContact CD-CE1 4.47Å; K778-E793 IonicContact NZ-OE1 2.76Å; K778-E793 PolarHBondContact NZ-OE1 3.41Å
779	G	84.3	Confident	89.4	Confident	77 Å²	77	63.1 Å²	63.1	79%	0.794	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-19.3	178	0	0	0	0	0	114.9	R777	R777-G779 PolarHBondContact O-N 3.38Å
780	E	86.9	Confident	89.3	Confident	38 Å²	38	65.9 Å²	65.9	18%	0.178	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-24.1	-179.2	-59.7	164.6	172.3	0	0	111.1	L212 R777 K778	L212-E780 HydrophobicContact CD1-CB 4.3Å; L212-E780 HydrophobicContact CD1-CG 4.06Å; R777-E780 HydrophobicContact CB-CG 4.23Å; R777-E780 PolarHBondContact N-OE2 3.48Å; R777-E780 WeakPolarHBondContact O-CA 3.43Å; R777-E780 WeakPolarHBondContact O-CB 3.47Å; R777-E780 PolarHBondContact O-N 2.89Å; K778-E780 VanDerWaalsContact C-N 3.32Å
781	L	88.6	Confident	89.4	Confident	11 Å²	11	64.2 Å²	64.2	6%	0.058	31%	0.305	C	S	.	.	S	Bend	trans	-70.5	142.4	174.5	-68	174.2	0	0	0	112	L776 R777 Y791 Y797	L776-L781 HydrophobicContact CB-CD2 3.94Å; L776-L781 HydrophobicContact CB-CG 4.25Å; L776-L781 HydrophobicContact CD1-CD2 3.78Å; R777-L781 PolarHBondContact O-N 3.22Å; L781-Y791 HydrophobicContact CD1-CE2 3.7Å; L781-Y797 HydrophobicContact CD1-CD2 4.06Å; L781-Y797 HydrophobicContact CD1-CG 4.37Å
782	P	87.1	Confident	89.3	Confident	27 Å²	27	66 Å²	66	18%	0.175	32%	0.315	C	S	.	.			trans	-56.1	142.9	172.6	-28.2	38.2	0	0	0	112.7	L255 N784 V785 S786	L255-P782 HydrophobicContact CB-CG 4.04Å; L255-P782 HydrophobicContact CD2-CG 3.99Å; P782-N784 WeakPolarHBondContact CB-OD1 3.45Å; P782-N784 PolarHBondContact O-N 3.19Å; P782-N784 VanDerWaalsContact O-N 3.12Å; P782-V785 HydrophobicContact CB-CG2 4.35Å; P782-V785 WeakPolarHBondContact O-CB 3.25Å; P782-V785 PolarHBondContact O-N 2.6Å; P782-S786 PolarHBondContact O-N 3.34Å; P782-S786 VanDerWaalsContact O-N 3.11Å; P782-S786 PolarHBondContact O-OG 3.05Å
783	R	87.2	Confident	89.2	Confident	161 Å²	161	71.9 Å²	71.9	61%	0.608	34%	0.342	S	S	*	.	H	α-helix	trans	-59	-27.1	-177.4	-73.9	-175.4	175.7	178.2	-1.4	113.9	V785 S786 R787	R783-V785 VanDerWaalsContact C-N 3.31Å; R783-S786 WeakPolarHBondContact CA-OG 3.37Å; R783-R787 VanDerWaalsContact O-CB 3.27Å; R783-R787 WeakPolarHBondContact O-CB 3.47Å; R783-R787 WeakPolarHBondContact O-CG 3.47Å; R783-R787 PolarHBondContact O-N 3.49Å
784	N	87.3	Confident	89	Confident	46 Å²	46	79.6 Å²	79.6	25%	0.246	38%	0.377	C	S	.	.	H	α-helix	trans	-69	-29.3	175.1	53.3	-52.2	0	0	0	112.7	P782 Y844	P782-N784 WeakPolarHBondContact CB-OD1 3.45Å; P782-N784 PolarHBondContact O-N 3.19Å; P782-N784 VanDerWaalsContact O-N 3.12Å; N784-Y844 WeakPolarHBondContact ND2-CE2 3.3Å; N784-Y844 PolarHBondContact ND2-OH 2.81Å
785	V	89.9	Confident	88.7	Confident	0 Å²	0	80 Å²	80	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-81.2	-54.2	175.1	-179.7	0	0	0	0	109.6	L255 P782 R783 R787 H788 Y791 P841 Y844	L255-V785 HydrophobicContact CD2-CG2 3.97Å; P782-V785 HydrophobicContact CB-CG2 4.35Å; P782-V785 WeakPolarHBondContact O-CB 3.25Å; P782-V785 PolarHBondContact O-N 2.6Å; R783-V785 VanDerWaalsContact C-N 3.31Å; V785-R787 PolarHBondContact O-N 3.22Å; V785-R787 VanDerWaalsContact O-N 3.1Å; V785-H788 VanDerWaalsContact O-CB 3.23Å; V785-H788 WeakPolarHBondContact O-CB 3.23Å; V785-H788 PolarHBondContact O-N 3.01Å; V785-Y791 HydrophobicContact CG1-CD2 4.14Å; V785-Y791 HydrophobicContact CG1-CE2 4.48Å; V785-Y791 WeakPolarHBondContact O-CB 3.44Å; V785-P841 HydrophobicContact CG1-CB 3.84Å; V785-P841 HydrophobicContact CG2-CB 4.39Å; V785-Y844 HydrophobicContact CG2-CD2 4Å; V785-Y844 HydrophobicContact CG2-CE2 3.59Å
786	S	89.4	Confident	88.7	Confident	23 Å²	23	81.6 Å²	81.6	16%	0.161	39%	0.391	C	S	.	.	H	α-helix	trans	-68.9	-11.5	-174.2	54.3	0	0	0	0	115.2	P782 R783	P782-S786 PolarHBondContact O-N 3.34Å; P782-S786 VanDerWaalsContact O-N 3.11Å; P782-S786 PolarHBondContact O-OG 3.05Å; R783-S786 WeakPolarHBondContact CA-OG 3.37Å
787	R	90.3	Very high	88.8	Confident	193 Å²	193	81.8 Å²	81.8	73%	0.728	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	6.3	172.3	-61.4	-178.9	171.9	-170.5	-5.7	112.9	R783 V785	R783-R787 VanDerWaalsContact O-CB 3.27Å; R783-R787 WeakPolarHBondContact O-CB 3.47Å; R783-R787 WeakPolarHBondContact O-CG 3.47Å; R783-R787 PolarHBondContact O-N 3.49Å; V785-R787 PolarHBondContact O-N 3.22Å; V785-R787 VanDerWaalsContact O-N 3.1Å
788	H	91.9	Very high	89.1	Confident	65 Å²	65	75.1 Å²	75.1	30%	0.301	37%	0.367	S	S	.	.	S	Bend	trans	-66.3	150.5	176.1	-159.7	-95.3	0	0	0	109.9	V785 D790 Y791 P842	V785-H788 VanDerWaalsContact O-CB 3.23Å; V785-H788 WeakPolarHBondContact O-CB 3.23Å; V785-H788 PolarHBondContact O-N 3.01Å; H788-D790 VanDerWaalsContact C-N 3.26Å; H788-D790 IonicContact CE1-OD2 3.53Å; H788-D790 PolarHBondContact CE1-OD2 3.49Å; H788-D790 PolarHBondContact ND1-N 3.27Å; H788-D790 IonicContact ND1-OD2 3.7Å; H788-D790 PolarHBondContact ND1-OD2 2.98Å; H788-D790 PolarHBondContact O-N 2.76Å; H788-Y791 WeakPolarHBondContact O-CB 3.4Å; H788-Y791 PolarHBondContact O-N 3.44Å; H788-P842 HydrophobicContact CB-CB 3.75Å
789	K	90.4	Very high	89.4	Confident	203 Å²	203	70.4 Å²	70.4	88%	0.883	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-35.9	-179.1	-65.9	-178	180	-179.8	0	112.2	Y791	K789-Y791 VanDerWaalsContact C-N 3.29Å; K789-Y791 PolarHBondContact O-N 3.02Å
790	D	88.6	Confident	90	Very high	118 Å²	118	66.8 Å²	66.8	63%	0.631	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	15.7	-178.1	-42.8	-41.4	0	0	0	112.6	H788 P842	H788-D790 VanDerWaalsContact C-N 3.26Å; H788-D790 IonicContact CE1-OD2 3.53Å; H788-D790 PolarHBondContact CE1-OD2 3.49Å; H788-D790 PolarHBondContact ND1-N 3.27Å; H788-D790 IonicContact ND1-OD2 3.7Å; H788-D790 PolarHBondContact ND1-OD2 2.98Å; H788-D790 PolarHBondContact O-N 2.76Å; D790-P842 WeakPolarHBondContact O-CG 3.39Å
791	Y	91.5	Very high	90.3	Very high	31 Å²	31	65.4 Å²	65.4	12%	0.122	30%	0.302	C	S	.	.			trans	-76.7	122.3	173.9	180	-93.9	0	0	0	110	K778 L781 V785 H788 K789 E793 Y797	K778-Y791 HydrophobicContact CD-CE1 4.47Å; L781-Y791 HydrophobicContact CD1-CE2 3.7Å; V785-Y791 HydrophobicContact CG1-CD2 4.14Å; V785-Y791 HydrophobicContact CG1-CE2 4.48Å; V785-Y791 WeakPolarHBondContact O-CB 3.44Å; H788-Y791 WeakPolarHBondContact O-CB 3.4Å; H788-Y791 PolarHBondContact O-N 3.44Å; K789-Y791 VanDerWaalsContact C-N 3.29Å; K789-Y791 PolarHBondContact O-N 3.02Å; Y791-E793 HydrophobicContact CD1-CG 4.28Å; Y791-E793 HydrophobicContact CE1-CG 4.17Å; Y791-Y797 HydrophobicContact CD2-CD2 4.32Å; Y791-Y797 AromaticContact CD2-CE2 3.61Å; Y791-Y797 HydrophobicContact CD2-CE2 3.61Å; Y791-Y797 AromaticContact CE2-CD2 3.6Å; Y791-Y797 HydrophobicContact CE2-CD2 3.6Å; Y791-Y797 AromaticContact CE2-CE2 3.25Å; Y791-Y797 HydrophobicContact CE2-CE2 3.25Å; Y791-Y797 AromaticContact CZ-CE2 3.9Å
792	D	90	Very high	90.6	Very high	66 Å²	66	64.9 Å²	64.9	35%	0.353	30%	0.3	S	S	.	.			trans	-88	122.9	174.8	-174.9	-0.5	0	0	0	109.6	E794 G795 Y797	D792-E794 PolarHBondContact OD1-N 3.41Å; D792-G795 VanDerWaalsContact CG-N 3.28Å; D792-G795 PolarHBondContact O-N 3.04Å; D792-G795 PolarHBondContact OD1-N 3.31Å; D792-G795 PolarHBondContact OD2-N 3.49Å; D792-Y797 PolarHBondContact N-OH 2.74Å; D792-Y797 VanDerWaalsContact N-OH 3.08Å
793	E	87.1	Confident	90.8	Very high	144 Å²	144	67.1 Å²	67.1	67%	0.673	31%	0.308	S	S	*	.	S	Bend	trans	-76.1	-28	179	-62.2	-154.3	141.6	0	0	113.1	K778 Y791 G795	K778-E793 IonicContact NZ-OE1 2.76Å; K778-E793 PolarHBondContact NZ-OE1 3.41Å; Y791-E793 HydrophobicContact CD1-CG 4.28Å; Y791-E793 HydrophobicContact CE1-CG 4.17Å; E793-G795 VanDerWaalsContact C-N 3.3Å
794	E	87.4	Confident	91.1	Very high	181 Å²	181	59.8 Å²	59.8	85%	0.846	28%	0.281	S	S	*	.	S	Bend	trans	-83.7	-17.5	173.7	-61.9	-177.6	-178.7	0	0	110.9	D792	D792-E794 PolarHBondContact OD1-N 3.41Å
795	G	86.9	Confident	91.4	Very high	11 Å²	11	59.2 Å²	59.2	11%	0.113	28%	0.277	C	S	.	.			trans	-64.6	140.1	179.5	0	0	0	0	0	114.8	Q410 D792 E793	Q410-G795 VanDerWaalsContact OE1-CA 3.29Å; D792-G795 VanDerWaalsContact CG-N 3.28Å; D792-G795 PolarHBondContact O-N 3.04Å; D792-G795 PolarHBondContact OD1-N 3.31Å; D792-G795 PolarHBondContact OD2-N 3.49Å; E793-G795 VanDerWaalsContact C-N 3.3Å
796	Q	91	Very high	91.5	Very high	58 Å²	58	59.7 Å²	59.7	27%	0.271	28%	0.28	S	S	.	.			trans	-95.4	133.1	167.8	-59.6	-174	-35.2	0	0	111.4	N409 Q410 W775	N409-Q796 CarbonylContact C-O 3.28Å; N409-Q796 WeakPolarHBondContact CA-O 3.45Å; N409-Q796 VanDerWaalsContact CB-O 3.3Å; N409-Q796 WeakPolarHBondContact CB-O 3.08Å; Q410-Q796 HydrophobicContact CB-CB 4.13Å; Q410-Q796 PolarHBondContact N-O 3.03Å; W775-Q796 HydrophobicContact CD2-CB 4.15Å; W775-Q796 HydrophobicContact CE3-CB 3.71Å; W775-Q796 HydrophobicContact CZ3-CB 4Å
797	Y	93.4	Very high	91.6	Very high	21 Å²	21	58.6 Å²	58.6	8%	0.082	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133	175.3	-61.2	-81.8	0	0	0	109.3	N409 L776 L781 Y791 D792 P841 P842	N409-Y797 HydrophobicContact CB-CD1 4.23Å; L776-Y797 PolarHBondContact N-O 3.29Å; L781-Y797 HydrophobicContact CD1-CD2 4.06Å; L781-Y797 HydrophobicContact CD1-CG 4.37Å; Y791-Y797 HydrophobicContact CD2-CD2 4.32Å; Y791-Y797 AromaticContact CD2-CE2 3.61Å; Y791-Y797 HydrophobicContact CD2-CE2 3.61Å; Y791-Y797 AromaticContact CE2-CD2 3.6Å; Y791-Y797 HydrophobicContact CE2-CD2 3.6Å; Y791-Y797 AromaticContact CE2-CE2 3.25Å; Y791-Y797 HydrophobicContact CE2-CE2 3.25Å; Y791-Y797 AromaticContact CZ-CE2 3.9Å; D792-Y797 PolarHBondContact N-OH 2.74Å; D792-Y797 VanDerWaalsContact N-OH 3.08Å; Y797-P841 HydrophobicContact CD1-CB 4.34Å; Y797-P842 VanDerWaalsContact CE1-CD 3.45Å; Y797-P842 HydrophobicContact CE1-CG 4.14Å
798	G	93.7	Very high	91.5	Very high	5 Å²	5	50 Å²	50	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	-169.9	-173.1	0	0	0	0	0	112.9	V408 L774	V408-G798 PolarHBondContact N-O 3.23Å; V408-G798 CarbonylContact O-C 3.57Å; V408-G798 PolarHBondContact O-N 2.88Å; L774-G798 CarbonylContact O-C 3.5Å; L774-G798 WeakPolarHBondContact O-CA 3.39Å
799	A	95	Very high	91.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	154.1	175.7	0	0	0	0	0	112.3	Y253 Y405 L406 L774	Y253-A799 HydrophobicContact CD1-CB 4.18Å; Y253-A799 WeakPolarHBondContact CE1-O 3.35Å; Y405-A799 HydrophobicContact CD2-CB 4.23Å; Y405-A799 HydrophobicContact CE1-CB 4.13Å; Y405-A799 HydrophobicContact CE2-CB 3.43Å; Y405-A799 VanDerWaalsContact CE2-CB 3.43Å; Y405-A799 WeakPolarHBondContact OH-CB 3.21Å; L406-A799 CarbonylContact O-C 3.52Å; L406-A799 VanDerWaalsContact O-CA 3.29Å; L406-A799 WeakPolarHBondContact O-CA 3.48Å; L774-A799 PolarHBondContact N-O 3.48Å; L774-A799 VanDerWaalsContact N-O 3.15Å; L774-A799 PolarHBondContact O-N 3.38Å
800	I	95.4	Very high	91.3	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	136.2	167.4	-61.1	172.3	0	0	0	106.9	L406 V408 W412 Q771 V773 P802 W819	L406-I800 HydrophobicContact CB-CB 4.34Å; L406-I800 PolarHBondContact N-O 2.75Å; L406-I800 PolarHBondContact O-N 3.36Å; V408-I800 HydrophobicContact CG1-CD1 3.78Å; V408-I800 HydrophobicContact CG1-CG1 4.06Å; V408-I800 HydrophobicContact CG2-CG1 4.17Å; W412-I800 HydrophobicContact CD2-CD1 4.18Å; W412-I800 HydrophobicContact CE3-CD1 4.39Å; W412-I800 HydrophobicContact CH2-CD1 4.18Å; W412-I800 HydrophobicContact CZ2-CD1 3.93Å; W412-I800 HydrophobicContact CZ3-CD1 4.41Å; Q771-I800 HydrophobicContact CB-CD1 4.31Å; Q771-I800 HydrophobicContact CB-CG2 4.44Å; V773-I800 HydrophobicContact CB-CG1 4.44Å; V773-I800 HydrophobicContact CG2-CD1 3.89Å; V773-I800 HydrophobicContact CG2-CG1 3.82Å; I800-P802 WeakPolarHBondContact O-CD 3.16Å; I800-W819 HydrophobicContact CD1-CH2 4.25Å; I800-W819 HydrophobicContact CD1-CZ2 3.69Å; I800-W819 HydrophobicContact CG2-CZ2 4.17Å
801	L	94.8	Very high	91.4	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.042	18%	0.181	C	C	.	.			trans	-104.4	104.4	171.4	-60.6	-175	0	0	0	108.5	Q252 Y253 Y405 Q803	Q252-L801 HydrophobicContact CB-CD1 3.49Å; Q252-L801 VanDerWaalsContact CB-CD1 3.49Å; Y253-L801 HydrophobicContact CD1-CD1 4.22Å; Y253-L801 HydrophobicContact CD1-CG 4Å; Y253-L801 HydrophobicContact CD2-CD1 3.76Å; Y253-L801 HydrophobicContact CD2-CG 4.43Å; Y253-L801 HydrophobicContact CE1-CB 4.49Å; Y253-L801 HydrophobicContact CE1-CD1 3.96Å; Y253-L801 HydrophobicContact CE1-CG 3.63Å; Y253-L801 HydrophobicContact CE2-CD1 3.42Å; Y253-L801 VanDerWaalsContact CE2-CD1 3.42Å; Y253-L801 HydrophobicContact CE2-CG 4.07Å; Y253-L801 HydrophobicContact CG-CD1 4.13Å; Y253-L801 HydrophobicContact CG-CG 4.38Å; Y405-L801 HydrophobicContact CD2-CD2 3.65Å; Y405-L801 HydrophobicContact CE2-CD2 4.37Å; Y405-L801 HydrophobicContact CG-CD2 4.46Å; L801-Q803 PolarHBondContact O-N 3.44Å
802	P	93.6	Very high	91.4	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.176	C	C	.	.			trans	-59.8	134.7	176.3	-26.9	37.4	0	0	0	111.2	L406 I800 V804 E816 W819	L406-P802 HydrophobicContact CD1-CG 3.42Å; L406-P802 VanDerWaalsContact CD1-CG 3.42Å; L406-P802 HydrophobicContact CG-CG 3.56Å; I800-P802 WeakPolarHBondContact O-CD 3.16Å; P802-V804 HydrophobicContact CB-CG2 3.84Å; P802-V804 PolarHBondContact O-N 3.21Å; P802-E816 HydrophobicContact CB-CG 4.37Å; P802-W819 HydrophobicContact CG-CG 4.34Å
803	Q	92.8	Very high	91.5	Very high	74 Å²	74	34.4 Å²	34.4	35%	0.346	17%	0.172	S	C	.	.			trans	-82.1	64.2	178.6	-63.8	-177.4	-3.7	0	0	110.5	L801 I805	L801-Q803 PolarHBondContact O-N 3.44Å; Q803-I805 PolarHBondContact O-N 3.47Å
804	V	92.8	Very high	91.8	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.042	15%	0.152	C	C	.	.			trans	-75.6	118.3	-174.6	178.3	0	0	0	0	110.8	S243 P802 T806 A814 E816	S243-V804 WeakPolarHBondContact CB-O 3.31Å; S243-V804 PolarHBondContact OG-O 3.4Å; P802-V804 HydrophobicContact CB-CG2 3.84Å; P802-V804 PolarHBondContact O-N 3.21Å; V804-T806 PolarHBondContact O-N 2.7Å; V804-A814 HydrophobicContact CG1-CB 3.76Å; V804-E816 HydrophobicContact CG2-CB 4.17Å; V804-E816 HydrophobicContact CG2-CG 4.37Å
805	I	93.7	Very high	92	Very high	33 Å²	33	22.9 Å²	22.9	17%	0.169	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-81.6	109.6	167.6	-58	172.2	0	0	0	107	M266 S267 Q803 A807 A814 V815	M266-I805 HydrophobicContact CE-CD1 3.7Å; M266-I805 HydrophobicContact CE-CG1 3.94Å; M266-I805 HydrophobicContact CE-CG2 4.15Å; M266-I805 HydrophobicContact SD-CD1 4.28Å; S267-I805 VanDerWaalsContact OG-CG2 3.24Å; S267-I805 WeakPolarHBondContact OG-CG2 3.27Å; Q803-I805 PolarHBondContact O-N 3.47Å; I805-A807 VanDerWaalsContact C-N 3.31Å; I805-A807 PolarHBondContact O-N 2.96Å; I805-A814 CarbonylContact O-C 3.53Å; I805-A814 WeakPolarHBondContact O-CA 3.47Å; I805-V815 PolarHBondContact N-O 2.88Å; I805-V815 PolarHBondContact O-N 3.19Å
806	T	91.8	Very high	92.2	Very high	10 Å²	10	22.7 Å²	22.7	6%	0.061	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-38.4	-170.1	57	0	0	0	0	113.2	S267 M398 M401 V804	S267-T806 WeakPolarHBondContact CB-OG1 3.41Å; S267-T806 PolarHBondContact OG-N 3.13Å; S267-T806 PolarHBondContact OG-OG1 2.68Å; M398-T806 WeakPolarHBondContact O-CG2 3.46Å; M401-T806 HydrophobicContact CB-CG2 4.46Å; M401-T806 HydrophobicContact CE-CG2 4.31Å; M401-T806 WeakPolarHBondContact CE-O 3.49Å; V804-T806 PolarHBondContact O-N 2.7Å
807	A	91.6	Very high	92.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.7	75	171	0	0	0	0	0	110.3	S267 M270 M398 I805 R812	S267-A807 PolarHBondContact OG-N 2.84Å; M270-A807 WeakPolarHBondContact CB-O 3.46Å; M398-A807 HydrophobicContact CE-CB 4.14Å; I805-A807 VanDerWaalsContact C-N 3.31Å; I805-A807 PolarHBondContact O-N 2.96Å; A807-R812 HydrophobicContact CB-CB 4.3Å
808	G	87.2	Confident	92	Very high	13 Å²	13	23 Å²	23	13%	0.134	13%	0.133	C	C	.	.			trans	-84.5	-10.4	-175.9	0	0	0	0	0	115.3	R813	G808-R813 PolarHBondContact N-O 2.93Å
809	T	89.6	Confident	92	Very high	48 Å²	48	22.9 Å²	22.9	29%	0.294	13%	0.131	S	C	.	.	S	Bend	trans	-126.1	162.8	-179.9	60.6	0	0	0	0	111.3	T811 R812 R813 V815	T809-T811 PolarHBondContact O-N 3.08Å; T809-T811 VanDerWaalsContact O-N 3.16Å; T809-T811 PolarHBondContact OG1-OG1 3.28Å; T809-T811 VanDerWaalsContact OG1-OG1 3.1Å; T809-R812 WeakPolarHBondContact O-CA 3.48Å; T809-R812 PolarHBondContact O-N 3.08Å; T809-R813 PolarHBondContact N-O 3.48Å; T809-R813 WeakPolarHBondContact OG1-CB 3.12Å; T809-R813 PolarHBondContact OG1-N 3.45Å; T809-R813 VanDerWaalsContact OG1-N 3.09Å; T809-R813 PolarHBondContact OG1-O 2.8Å; T809-V815 HydrophobicContact CG2-CG2 3.61Å
810	V	89.8	Confident	91.7	Very high	14 Å²	14	24 Å²	24	9%	0.085	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.5	176.6	-176.8	0	0	0	0	112.5	L275 T276 R812 L1043 W1059	L275-V810 WeakPolarHBondContact O-CG2 3.4Å; T276-V810 HydrophobicContact CG2-CG2 4.32Å; V810-R812 PolarHBondContact O-N 3.41Å; V810-L1043 HydrophobicContact CG1-CD1 3.67Å; V810-W1059 PolarHBondContact O-NE1 3.29Å; V810-W1059 VanDerWaalsContact O-NE1 3.11Å
811	T	90.1	Very high	91.4	Very high	16 Å²	16	28 Å²	28	10%	0.098	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	4.2	173.4	60.2	0	0	0	0	113	T809 R813 W1059 Q1062 S1063	T809-T811 PolarHBondContact O-N 3.08Å; T809-T811 VanDerWaalsContact O-N 3.16Å; T809-T811 PolarHBondContact OG1-OG1 3.28Å; T809-T811 VanDerWaalsContact OG1-OG1 3.1Å; T811-R813 PolarHBondContact O-N 2.99Å; T811-W1059 HydrophobicContact CG2-CB 4.26Å; T811-W1059 HydrophobicContact CG2-CG 4.42Å; T811-Q1062 HydrophobicContact CG2-CB 3.83Å; T811-S1063 WeakPolarHBondContact O-CA 3.44Å
812	R	92.5	Very high	91	Very high	5 Å²	5	28 Å²	28	2%	0.019	16%	0.162	C	C	.	.			trans	64	14	-176.2	-53.3	174.9	-65.4	143.5	2.3	114.2	A271 A807 T809 V810 C1037 S1063 V1066 D1067	A271-R812 HydrophobicContact CB-CG 4.33Å; A807-R812 HydrophobicContact CB-CB 4.3Å; T809-R812 WeakPolarHBondContact O-CA 3.48Å; T809-R812 PolarHBondContact O-N 3.08Å; V810-R812 PolarHBondContact O-N 3.41Å; R812-C1037 VanDerWaalsContact CZ-CB 3.41Å; R812-C1037 PolarHBondContact NH1-SG 3.3Å; R812-S1063 PolarHBondContact NE-OG 2.95Å; R812-S1063 VanDerWaalsContact NE-OG 3.13Å; R812-S1063 PolarHBondContact NH2-O 2.79Å; R812-S1063 PolarHBondContact NH2-OG 3.08Å; R812-V1066 HydrophobicContact CB-CG1 4.2Å; R812-D1067 IonicContact CZ-OD1 3.54Å; R812-D1067 IonicContact NH1-OD1 3.33Å; R812-D1067 PolarHBondContact NH1-OD1 2.9Å; R812-D1067 IonicContact NH2-OD1 3.5Å; R812-D1067 PolarHBondContact NH2-OD1 3.15Å; R812-D1067 IonicContact NH2-OD2 2.68Å
813	R	92.3	Very high	90.5	Very high	71 Å²	71	29.2 Å²	29.2	27%	0.268	17%	0.171	S	C	.	.			trans	-66.7	142.3	172.4	-70.8	-177.2	174.4	-170.9	-5.4	110.6	G808 T809 T811 E855 V1066	G808-R813 PolarHBondContact N-O 2.93Å; T809-R813 PolarHBondContact N-O 3.48Å; T809-R813 WeakPolarHBondContact OG1-CB 3.12Å; T809-R813 PolarHBondContact OG1-N 3.45Å; T809-R813 VanDerWaalsContact OG1-N 3.09Å; T809-R813 PolarHBondContact OG1-O 2.8Å; T811-R813 PolarHBondContact O-N 2.99Å; R813-E855 IonicContact CZ-OE1 3.53Å; R813-E855 IonicContact NH1-OE1 3.34Å; R813-E855 IonicContact NH2-OE1 3.88Å; R813-E855 PolarHBondContact NH2-OE1 3.09Å; R813-E855 IonicContact NH2-OE2 3.05Å; R813-E855 PolarHBondContact NH2-OE2 3.28Å; R813-V1066 HydrophobicContact CB-CG2 4.42Å; R813-V1066 HydrophobicContact CG-CG2 3.63Å
814	A	92.5	Very high	90.4	Very high	29 Å²	29	28.1 Å²	28.1	24%	0.24	17%	0.167	C	C	.	.			trans	-62.5	146.2	171.3	0	0	0	0	0	111.4	M401 V804 I805 L820	M401-A814 HydrophobicContact CE-CB 4.38Å; M401-A814 HydrophobicContact SD-CB 3.74Å; V804-A814 HydrophobicContact CG1-CB 3.76Å; I805-A814 CarbonylContact O-C 3.53Å; I805-A814 WeakPolarHBondContact O-CA 3.47Å; A814-L820 HydrophobicContact CB-CD1 3.86Å
815	V	91.8	Very high	90.3	Very high	54 Å²	54	28.7 Å²	28.7	33%	0.327	17%	0.172	S	C	.	.	B	Isolated β-bridge	trans	-129.6	128.7	177.6	178.6	0	0	0	0	109.5	I805 T809	I805-V815 PolarHBondContact N-O 2.88Å; I805-V815 PolarHBondContact O-N 3.19Å; T809-V815 HydrophobicContact CG2-CG2 3.61Å
816	E	91.7	Very high	90.1	Very high	8 Å²	8	32.8 Å²	32.8	4%	0.037	19%	0.186	C	C	.	.			trans	-150.9	131.6	168.5	-167.2	-73.4	149.7	0	0	107.6	P802 V804 T818 W819 L820	P802-E816 HydrophobicContact CB-CG 4.37Å; V804-E816 HydrophobicContact CG2-CB 4.17Å; V804-E816 HydrophobicContact CG2-CG 4.37Å; E816-T818 PolarHBondContact O-N 3.41Å; E816-T818 PolarHBondContact OE1-N 3.04Å; E816-T818 WeakPolarHBondContact OE2-CA 3.46Å; E816-T818 PolarHBondContact OE2-N 3Å; E816-W819 WeakPolarHBondContact OE2-CA 3.32Å; E816-W819 WeakPolarHBondContact OE2-CB 3.3Å; E816-W819 PolarHBondContact OE2-N 3.49Å; E816-L820 HydrophobicContact CB-CB 4.39Å; E816-L820 HydrophobicContact CB-CD1 3.99Å; E816-L820 HydrophobicContact CB-CG 3.87Å; E816-L820 PolarHBondContact OE2-N 2.82Å
817	P	88.6	Confident	90	Very high	77 Å²	77	41.7 Å²	41.7	50%	0.5	22%	0.218	S	C	.	.	S	Bend	trans	-73.3	-17.3	-168.4	-22.3	35.3	0	0	0	117.1	T821	P817-T821 PolarHBondContact O-OG1 3.01Å
818	T	91.9	Very high	89.8	Confident	9 Å²	9	43.1 Å²	43.1	6%	0.055	23%	0.226	C	C	.	.	S	Bend	trans	-110	-58.9	-169.8	-58.5	0	0	0	0	112.1	R767 I768 Q771 E816 A822 M834	R767-T818 PolarHBondContact O-OG1 3.29Å; I768-T818 HydrophobicContact CG1-CG2 4.4Å; Q771-T818 HydrophobicContact CG-CG2 4.27Å; Q771-T818 PolarHBondContact NE2-OG1 3.42Å; E816-T818 PolarHBondContact O-N 3.41Å; E816-T818 PolarHBondContact OE1-N 3.04Å; E816-T818 WeakPolarHBondContact OE2-CA 3.46Å; E816-T818 PolarHBondContact OE2-N 3Å; T818-A822 WeakPolarHBondContact O-CA 3.41Å; T818-A822 PolarHBondContact O-N 3.04Å; T818-A822 VanDerWaalsContact O-N 3.11Å; T818-M834 HydrophobicContact CG2-CE 4.13Å; T818-M834 HydrophobicContact CG2-SD 4.11Å
819	W	92.4	Very high	90	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.23	C	C	.	.	S	Bend	trans	-79.4	-42.1	-174.8	-59.9	103.4	0	0	0	113	L406 W412 Q771 I800 P802 E816 T821 A822 M834 V838	L406-W819 HydrophobicContact CD1-CD2 3.2Å; L406-W819 HydrophobicContact CD1-CE3 3.45Å; L406-W819 VanDerWaalsContact CD1-CE3 3.45Å; L406-W819 HydrophobicContact CD1-CG 3.72Å; L406-W819 HydrophobicContact CD1-CH2 3.87Å; L406-W819 HydrophobicContact CD1-CZ2 3.69Å; L406-W819 HydrophobicContact CD1-CZ3 3.78Å; W412-W819 AromaticContact CH2-CH2 3.65Å; W412-W819 HydrophobicContact CH2-CH2 3.65Å; W412-W819 AromaticContact CH2-CZ2 3.87Å; W412-W819 HydrophobicContact CH2-CZ2 3.87Å; W412-W819 AromaticContact CZ3-CH2 3.63Å; W412-W819 HydrophobicContact CZ3-CH2 3.63Å; W412-W819 HydrophobicContact CZ3-CZ2 4.27Å; Q771-W819 HydrophobicContact CG-CZ2 4.46Å; I800-W819 HydrophobicContact CD1-CH2 4.25Å; I800-W819 HydrophobicContact CD1-CZ2 3.69Å; I800-W819 HydrophobicContact CG2-CZ2 4.17Å; P802-W819 HydrophobicContact CG-CG 4.34Å; E816-W819 WeakPolarHBondContact OE2-CA 3.32Å; E816-W819 WeakPolarHBondContact OE2-CB 3.3Å; E816-W819 PolarHBondContact OE2-N 3.49Å; W819-T821 PolarHBondContact O-N 3.47Å; W819-A822 WeakPolarHBondContact O-CB 3.39Å; W819-A822 PolarHBondContact O-N 2.98Å; W819-M834 HydrophobicContact CE3-CE 4.14Å; W819-M834 HydrophobicContact CZ3-CE 4.22Å; W819-M834 HydrophobicContact CZ3-CG 4.46Å; W819-V838 HydrophobicContact CE3-CG2 4.32Å; W819-V838 HydrophobicContact CH2-CG2 3.78Å; W819-V838 HydrophobicContact CZ3-CG2 3.42Å; W819-V838 VanDerWaalsContact CZ3-CG2 3.42Å
820	L	89.8	Confident	90.2	Very high	23 Å²	23	42.9 Å²	42.9	12%	0.12	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-8.2	176.8	-61.2	-171.1	0	0	0	113.5	A814 E816 V1091 S1092 I1093 H1094	A814-L820 HydrophobicContact CB-CD1 3.86Å; E816-L820 HydrophobicContact CB-CB 4.39Å; E816-L820 HydrophobicContact CB-CD1 3.99Å; E816-L820 HydrophobicContact CB-CG 3.87Å; E816-L820 PolarHBondContact OE2-N 2.82Å; L820-V1091 HydrophobicContact CD2-CG2 4.27Å; L820-S1092 WeakPolarHBondContact CD2-O 3.45Å; L820-I1093 HydrophobicContact CD2-CG1 4.19Å; L820-H1094 PolarHBondContact O-CE1 3.04Å
821	T	87.9	Confident	90.3	Very high	86 Å²	86	42.2 Å²	42.2	53%	0.528	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	9.3	171.9	76	0	0	0	0	112.7	P817 W819 S823	P817-T821 PolarHBondContact O-OG1 3.01Å; W819-T821 PolarHBondContact O-N 3.47Å; T821-S823 PolarHBondContact O-N 3.12Å
822	A	86.3	Confident	90.4	Very high	7 Å²	7	41.5 Å²	41.5	6%	0.058	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-60.3	124.6	-176	0	0	0	0	0	110.5	T818 W819 M834 K835	T818-A822 WeakPolarHBondContact O-CA 3.41Å; T818-A822 PolarHBondContact O-N 3.04Å; T818-A822 VanDerWaalsContact O-N 3.11Å; W819-A822 WeakPolarHBondContact O-CB 3.39Å; W819-A822 PolarHBondContact O-N 2.98Å; A822-M834 HydrophobicContact CB-CE 3.47Å; A822-M834 VanDerWaalsContact CB-CE 3.47Å; A822-K835 HydrophobicContact CB-CD 4.36Å; A822-K835 HydrophobicContact CB-CG 3.89Å; A822-K835 WeakPolarHBondContact O-CE 3.44Å; A822-K835 PolarHBondContact O-NZ 3.44Å
823	S	84.5	Confident	90.5	Very high	27 Å²	27	41.4 Å²	41.4	19%	0.189	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-76.9	155.6	175.8	68.2	0	0	0	0	111.2	F760 T821	F760-S823 WeakPolarHBondContact CE2-OG 3.47Å; F760-S823 VanDerWaalsContact CZ-OG 3.27Å; F760-S823 WeakPolarHBondContact CZ-OG 3.31Å; T821-S823 PolarHBondContact O-N 3.12Å
824	N	89.8	Confident	90.5	Very high	52 Å²	52	38.2 Å²	38.2	28%	0.278	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-77	155.7	170.1	-58.2	-35.1	0	0	0	110.8	R826 S832 K835 K1151	N824-R826 PolarHBondContact O-N 3.23Å; N824-S832 CarbonylContact C-O 3.53Å; N824-K835 PolarHBondContact OD1-NZ 3.07Å; N824-K1151 HydrophobicContact CB-CB 4.47Å; N824-K1151 WeakPolarHBondContact ND2-CD 3.37Å
825	A	90.4	Very high	90.5	Very high	18 Å²	18	37.3 Å²	37.3	15%	0.149	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-57.9	130.5	178.1	0	0	0	0	0	111.2	S832 E833 M1155 C1157 T1159	A825-S832 WeakPolarHBondContact CA-O 3.26Å; A825-S832 PolarHBondContact N-O 2.97Å; A825-E833 HydrophobicContact CB-CB 4.27Å; A825-M1155 HydrophobicContact CB-SD 4.41Å; A825-C1157 HydrophobicContact CB-CB 3.78Å; A825-T1159 HydrophobicContact CB-CG2 4.07Å
826	R	89.7	Confident	90.7	Very high	119 Å²	119	34.8 Å²	34.8	45%	0.449	17%	0.171	S	C	.	.			trans	-132.4	137.3	173	-61.1	-167.7	174.7	-156.5	-3.5	110.5	N824 D828 R829 S832	N824-R826 PolarHBondContact O-N 3.23Å; R826-D828 WeakPolarHBondContact CB-OD1 3.42Å; R826-D828 PolarHBondContact O-N 2.88Å; R826-R829 HydrophobicContact CB-CB 4.41Å; R826-R829 HydrophobicContact CB-CG 4.37Å; R826-R829 PolarHBondContact O-N 3.38Å; R826-R829 VanDerWaalsContact O-N 3.15Å; R826-S832 PolarHBondContact N-OG 3.05Å; R826-S832 PolarHBondContact O-OG 3.41Å; R826-S832 VanDerWaalsContact O-OG 3.1Å
827	R	89.3	Confident	90.8	Very high	198 Å²	198	34.4 Å²	34.4	75%	0.747	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.6	-178.1	-69.1	-176	176.7	-172.1	-0.7	114.1	V1158 P1160	R827-V1158 WeakPolarHBondContact CA-O 3.25Å; R827-V1158 WeakPolarHBondContact CG-O 3.48Å; R827-P1160 VanDerWaalsContact O-CD 3.3Å; R827-P1160 WeakPolarHBondContact O-CD 3.43Å; R827-P1160 WeakPolarHBondContact O-CG 3.29Å
828	D	88.1	Confident	91.2	Very high	31 Å²	31	30.8 Å²	30.8	17%	0.166	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	17.8	-175.3	69.8	-33.3	0	0	0	112.8	K756 M757 R826	K756-D828 WeakPolarHBondContact CE-OD2 3.48Å; K756-D828 IonicContact NZ-OD2 3.33Å; K756-D828 PolarHBondContact NZ-OD2 2.95Å; M757-D828 WeakPolarHBondContact CA-O 3.45Å; R826-D828 WeakPolarHBondContact CB-OD1 3.42Å; R826-D828 PolarHBondContact O-N 2.88Å
829	R	91	Very high	91.3	Very high	56 Å²	56	30.6 Å²	30.6	21%	0.211	14%	0.144	C	C	.	.	S	Bend	trans	-141.3	119.1	-178.5	-66.1	-177.9	-171.5	-176.1	1.2	112	F760 R826 S832 P1160	F760-R829 HydrophobicContact CB-CB 4.18Å; F760-R829 HydrophobicContact CB-CG 4.38Å; R826-R829 HydrophobicContact CB-CB 4.41Å; R826-R829 HydrophobicContact CB-CG 4.37Å; R826-R829 PolarHBondContact O-N 3.38Å; R826-R829 VanDerWaalsContact O-N 3.15Å; R829-S832 PolarHBondContact O-N 3.08Å; R829-S832 PolarHBondContact O-OG 3.49Å; R829-P1160 WeakPolarHBondContact O-CD 3.31Å
830	V	93.9	Very high	91.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	132.4	177	-178.6	0	0	0	0	109.8	S419 V422 L426 M757 F760 W761 S832 P1160	S419-V830 WeakPolarHBondContact O-CG1 3.44Å; V422-V830 HydrophobicContact CG1-CG1 4.39Å; V422-V830 HydrophobicContact CG1-CG2 4.25Å; L426-V830 HydrophobicContact CD1-CG2 3.5Å; M757-V830 HydrophobicContact CB-CG2 4.21Å; M757-V830 PolarHBondContact O-N 3.02Å; F760-V830 WeakPolarHBondContact CD1-O 3.47Å; W761-V830 HydrophobicContact CB-CB 4.26Å; W761-V830 HydrophobicContact CB-CG1 4.31Å; W761-V830 HydrophobicContact CG-CG1 4.38Å; V830-S832 PolarHBondContact O-N 3.42Å; V830-P1160 HydrophobicContact CG2-CB 3.93Å; V830-P1160 HydrophobicContact CG2-CG 4.24Å
831	G	91.8	Very high	91.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.2	178	0	0	0	0	0	114.9	Y415 F760 E833 S1161	Y415-G831 PolarHBondContact OH-O 3.15Å; F760-G831 VanDerWaalsContact CE1-O 3.25Å; F760-G831 WeakPolarHBondContact CE1-O 3.29Å; G831-E833 VanDerWaalsContact C-OE2 3.29Å; G831-E833 WeakPolarHBondContact CA-OE2 3.38Å; G831-E833 PolarHBondContact N-OE2 2.94Å; G831-E833 PolarHBondContact O-N 2.65Å; G831-S1161 PolarHBondContact N-OG 3.39Å
832	S	92.9	Very high	91.9	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.9	178.1	60.7	0	0	0	0	113.3	N824 A825 R826 R829 V830 M834 T1159	N824-S832 CarbonylContact C-O 3.53Å; A825-S832 WeakPolarHBondContact CA-O 3.26Å; A825-S832 PolarHBondContact N-O 2.97Å; R826-S832 PolarHBondContact N-OG 3.05Å; R826-S832 PolarHBondContact O-OG 3.41Å; R826-S832 VanDerWaalsContact O-OG 3.1Å; R829-S832 PolarHBondContact O-N 3.08Å; R829-S832 PolarHBondContact O-OG 3.49Å; V830-S832 PolarHBondContact O-N 3.42Å; S832-M834 VanDerWaalsContact C-N 3.25Å; S832-M834 PolarHBondContact O-N 3.14Å; S832-T1159 WeakPolarHBondContact OG-CG2 3.43Å
833	E	93.4	Very high	92.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	4.6	177.1	71.1	-81.6	-162	0	0	114.6	Y415 A825 G831 K835 A836 M837 C1157 T1159 S1161 N1162	Y415-E833 HydrophobicContact CD2-CG 4.04Å; Y415-E833 HydrophobicContact CE2-CG 3.8Å; Y415-E833 WeakPolarHBondContact CE2-OE1 3.26Å; A825-E833 HydrophobicContact CB-CB 4.27Å; G831-E833 VanDerWaalsContact C-OE2 3.29Å; G831-E833 WeakPolarHBondContact CA-OE2 3.38Å; G831-E833 PolarHBondContact N-OE2 2.94Å; G831-E833 PolarHBondContact O-N 2.65Å; E833-K835 PolarHBondContact O-N 2.68Å; E833-A836 WeakPolarHBondContact O-CB 3.31Å; E833-A836 PolarHBondContact O-N 3.25Å; E833-M837 HydrophobicContact CG-CE 4.22Å; E833-C1157 HydrophobicContact CB-CB 4.25Å; E833-T1159 HydrophobicContact CB-CG2 3.87Å; E833-T1159 HydrophobicContact CG-CG2 4.47Å; E833-T1159 PolarHBondContact OE1-OG1 3.25Å; E833-T1159 VanDerWaalsContact OE2-CB 3.28Å; E833-T1159 WeakPolarHBondContact OE2-CB 3.41Å; E833-T1159 VanDerWaalsContact OE2-CG2 3.24Å; E833-T1159 WeakPolarHBondContact OE2-CG2 3.32Å; E833-T1159 PolarHBondContact OE2-OG1 3.43Å; E833-S1161 VanDerWaalsContact CD-OG 3.24Å; E833-S1161 WeakPolarHBondContact OE1-CB 3.43Å; E833-S1161 PolarHBondContact OE1-OG 3.08Å; E833-S1161 PolarHBondContact OE2-OG 2.93Å; E833-S1161 VanDerWaalsContact OE2-OG 3.11Å; E833-N1162 HydrophobicContact CG-CB 4.21Å
834	M	93	Very high	92.7	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.025	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-43.4	-41.4	-177.4	-172	-175	71.9	0	0	114.6	W412 Y415 I768 T818 W819 A822 S832 A836 M837	W412-M834 HydrophobicContact CH2-CG 4.07Å; W412-M834 HydrophobicContact CH2-SD 4.5Å; W412-M834 HydrophobicContact CZ3-CG 4.1Å; Y415-M834 HydrophobicContact CE1-CB 4.49Å; Y415-M834 HydrophobicContact CE1-CG 4.35Å; Y415-M834 WeakPolarHBondContact OH-CB 3.3Å; I768-M834 HydrophobicContact CB-SD 4.27Å; I768-M834 HydrophobicContact CD1-CG 4.47Å; I768-M834 HydrophobicContact CD1-SD 3.55Å; I768-M834 VanDerWaalsContact CD1-SD 3.55Å; I768-M834 HydrophobicContact CG1-SD 3.52Å; I768-M834 VanDerWaalsContact CG1-SD 3.52Å; I768-M834 HydrophobicContact CG2-CG 4.3Å; I768-M834 HydrophobicContact CG2-SD 3.82Å; T818-M834 HydrophobicContact CG2-CE 4.13Å; T818-M834 HydrophobicContact CG2-SD 4.11Å; W819-M834 HydrophobicContact CE3-CE 4.14Å; W819-M834 HydrophobicContact CZ3-CE 4.22Å; W819-M834 HydrophobicContact CZ3-CG 4.46Å; A822-M834 HydrophobicContact CB-CE 3.47Å; A822-M834 VanDerWaalsContact CB-CE 3.47Å; S832-M834 VanDerWaalsContact C-N 3.25Å; S832-M834 PolarHBondContact O-N 3.14Å; M834-A836 VanDerWaalsContact C-N 3.28Å; M834-A836 PolarHBondContact O-N 3.07Å; M834-M837 WeakPolarHBondContact O-CB 3.14Å; M834-M837 PolarHBondContact O-N 2.67Å; M834-M837 VanDerWaalsContact O-N 3.1Å
835	K	93.4	Very high	93.1	Very high	10 Å²	10	25.9 Å²	25.9	4%	0.043	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-56.7	-43	178.9	-70.1	-172.6	175.6	-179.1	0	111.4	A822 N824 E833 M837 V838 L1149	A822-K835 HydrophobicContact CB-CD 4.36Å; A822-K835 HydrophobicContact CB-CG 3.89Å; A822-K835 WeakPolarHBondContact O-CE 3.44Å; A822-K835 PolarHBondContact O-NZ 3.44Å; N824-K835 PolarHBondContact OD1-NZ 3.07Å; E833-K835 PolarHBondContact O-N 2.68Å; K835-M837 PolarHBondContact O-N 3.43Å; K835-M837 VanDerWaalsContact O-N 3.12Å; K835-V838 WeakPolarHBondContact O-CB 3.3Å; K835-V838 PolarHBondContact O-N 2.99Å; K835-L1149 CarbonylContact C-O 3.44Å; K835-L1149 HydrophobicContact CB-CD2 4.48Å; K835-L1149 HydrophobicContact CB-CG 4.37Å; K835-L1149 VanDerWaalsContact CB-O 3.29Å; K835-L1149 WeakPolarHBondContact CB-O 3.44Å; K835-L1149 WeakPolarHBondContact O-CB 3.26Å; K835-L1149 VanDerWaalsContact O-O 3.06Å
836	A	94.6	Very high	93.4	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-69.6	-9.4	-177.8	0	0	0	0	0	113.5	E833 M834 V838 Q839 L1149 C1157 M1166	E833-A836 WeakPolarHBondContact O-CB 3.31Å; E833-A836 PolarHBondContact O-N 3.25Å; M834-A836 VanDerWaalsContact C-N 3.28Å; M834-A836 PolarHBondContact O-N 3.07Å; A836-V838 VanDerWaalsContact C-N 3.31Å; A836-Q839 VanDerWaalsContact O-CG 3.3Å; A836-Q839 WeakPolarHBondContact O-CG 3.48Å; A836-Q839 PolarHBondContact O-NE2 2.8Å; A836-L1149 VanDerWaalsContact CA-O 3.26Å; A836-L1149 WeakPolarHBondContact CA-O 3.38Å; A836-L1149 PolarHBondContact N-O 3.15Å; A836-C1157 HydrophobicContact CB-CB 4.28Å; A836-M1166 HydrophobicContact CB-CE 4.07Å; A836-M1166 HydrophobicContact CB-CG 4.28Å; A836-M1166 HydrophobicContact CB-SD 3.83Å
837	M	94.9	Very high	93.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-80.8	-13.2	171.5	-58	-57.5	113.2	0	0	112.8	W412 Y415 E833 M834 K835 Q839 M1166 Y1170	W412-M837 HydrophobicContact CE3-CB 3.7Å; W412-M837 HydrophobicContact CZ3-CB 3.99Å; Y415-M837 HydrophobicContact CD1-CG 3.87Å; Y415-M837 HydrophobicContact CD2-CG 3.81Å; Y415-M837 HydrophobicContact CD2-SD 4.2Å; Y415-M837 HydrophobicContact CE1-CG 4.43Å; Y415-M837 HydrophobicContact CE2-CG 4.36Å; Y415-M837 HydrophobicContact CG-CG 3.52Å; Y415-M837 HydrophobicContact CG-SD 3.98Å; E833-M837 HydrophobicContact CG-CE 4.22Å; M834-M837 WeakPolarHBondContact O-CB 3.14Å; M834-M837 PolarHBondContact O-N 2.67Å; M834-M837 VanDerWaalsContact O-N 3.1Å; K835-M837 PolarHBondContact O-N 3.43Å; K835-M837 VanDerWaalsContact O-N 3.12Å; M837-Q839 PolarHBondContact O-N 3.33Å; M837-Q839 VanDerWaalsContact O-N 3.07Å; M837-M1166 HydrophobicContact CE-CE 3.92Å; M837-M1166 HydrophobicContact CE-SD 3.66Å; M837-Y1170 HydrophobicContact CE-CE2 3.93Å; M837-Y1170 HydrophobicContact SD-CE1 4.36Å
838	V	95.6	Very high	94	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.054	C	C	.	.			trans	-72.8	99.9	162.7	-178	0	0	0	0	107.1	L406 P407 W819 K835 A836 C1148 L1149	L406-V838 HydrophobicContact CB-CG1 4.21Å; L406-V838 HydrophobicContact CB-CG2 4.38Å; L406-V838 HydrophobicContact CD1-CG2 4.32Å; L406-V838 HydrophobicContact CD2-CG1 4.17Å; L406-V838 HydrophobicContact CD2-CG2 4.42Å; P407-V838 HydrophobicContact CG-CG1 4.2Å; P407-V838 WeakPolarHBondContact O-CA 3.34Å; P407-V838 WeakPolarHBondContact O-CG1 3.15Å; W819-V838 HydrophobicContact CE3-CG2 4.32Å; W819-V838 HydrophobicContact CH2-CG2 3.78Å; W819-V838 HydrophobicContact CZ3-CG2 3.42Å; W819-V838 VanDerWaalsContact CZ3-CG2 3.42Å; K835-V838 WeakPolarHBondContact O-CB 3.3Å; K835-V838 PolarHBondContact O-N 2.99Å; A836-V838 VanDerWaalsContact C-N 3.31Å; V838-C1148 VanDerWaalsContact O-CA 3.31Å; V838-C1148 WeakPolarHBondContact O-CA 3.35Å; V838-L1149 HydrophobicContact CB-CB 3.94Å; V838-L1149 HydrophobicContact CB-CD2 4.44Å; V838-L1149 HydrophobicContact CG1-CB 4.33Å; V838-L1149 HydrophobicContact CG2-CD2 4.43Å; V838-L1149 PolarHBondContact O-N 3.43Å
839	Q	95.2	Very high	94.3	Very high	6 Å²	6	8.9 Å²	8.9	3%	0.028	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-122.3	132.5	-173.7	-65.5	178.9	16.3	0	0	109.3	P407 N409 N411 A836 M837 C1148 I1172	P407-Q839 CarbonylContact C-O 3.55Å; P407-Q839 WeakPolarHBondContact CB-O 3.32Å; P407-Q839 PolarHBondContact O-N 3.29Å; P407-Q839 VanDerWaalsContact O-N 3.15Å; N409-Q839 PolarHBondContact ND2-OE1 2.95Å; N409-Q839 PolarHBondContact OD1-OE1 2.92Å; N411-Q839 PolarHBondContact ND2-OE1 3.35Å; A836-Q839 VanDerWaalsContact O-CG 3.3Å; A836-Q839 WeakPolarHBondContact O-CG 3.48Å; A836-Q839 PolarHBondContact O-NE2 2.8Å; M837-Q839 PolarHBondContact O-N 3.33Å; M837-Q839 VanDerWaalsContact O-N 3.07Å; Q839-C1148 HydrophobicContact CG-CB 4.14Å; Q839-I1172 HydrophobicContact CG-CD1 3.95Å
840	V	94.7	Very high	94.3	Very high	16 Å²	16	9.3 Å²	9.3	10%	0.097	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-76.9	149.6	-177.7	-56.5	0	0	0	0	111.5	P407 Y844 L846 L1100 Q1147	P407-V840 HydrophobicContact CG-CG1 4.16Å; V840-Y844 WeakPolarHBondContact CG2-O 3.4Å; V840-L846 HydrophobicContact CG1-CD1 4.28Å; V840-L846 HydrophobicContact CG1-CD2 3.61Å; V840-L846 HydrophobicContact CG1-CG 3.47Å; V840-L846 VanDerWaalsContact CG1-CG 3.47Å; V840-L1100 HydrophobicContact CB-CD1 3.95Å; V840-L1100 HydrophobicContact CG1-CD1 3.49Å; V840-L1100 VanDerWaalsContact CG1-CD1 3.49Å; V840-Q1147 HydrophobicContact CG2-CB 4.17Å; V840-Q1147 WeakPolarHBondContact CG2-O 3.28Å; V840-Q1147 PolarHBondContact N-O 3.15Å
841	P	94.1	Very high	93.9	Very high	9 Å²	9	9.4 Å²	9.4	6%	0.058	5%	0.053	C	C	.	.	P	Polyproline II helix	trans	-67.5	157.5	170.8	28.5	-34.4	0	0	0	111.4	L255 V785 Y797 G843 Y844	L255-P841 HydrophobicContact CD1-CG 3.87Å; L255-P841 HydrophobicContact CD2-CG 3.89Å; V785-P841 HydrophobicContact CG1-CB 3.84Å; V785-P841 HydrophobicContact CG2-CB 4.39Å; Y797-P841 HydrophobicContact CD1-CB 4.34Å; P841-G843 PolarHBondContact O-N 2.87Å; P841-Y844 HydrophobicContact CG-CD2 4Å; P841-Y844 HydrophobicContact CG-CG 4.36Å; P841-Y844 PolarHBondContact O-N 3.06Å; P841-Y844 VanDerWaalsContact O-N 3.17Å
842	P	93.3	Very high	93.2	Very high	20 Å²	20	13 Å²	13	13%	0.13	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	133.7	175.6	-28.9	34.7	0	0	0	112.9	H788 D790 Y797	H788-P842 HydrophobicContact CB-CB 3.75Å; D790-P842 WeakPolarHBondContact O-CG 3.39Å; Y797-P842 VanDerWaalsContact CE1-CD 3.45Å; Y797-P842 HydrophobicContact CE1-CG 4.14Å
843	G	92.8	Very high	92.6	Very high	13 Å²	13	15.5 Å²	15.5	13%	0.134	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	9	-177.6	0	0	0	0	0	115.5	P841 S1103	P841-G843 PolarHBondContact O-N 2.87Å; G843-S1103 WeakPolarHBondContact CA-OG 3.25Å; G843-S1103 PolarHBondContact O-N 3.49Å; G843-S1103 PolarHBondContact O-OG 3.26Å
844	Y	95.4	Very high	92.4	Very high	8 Å²	8	15.9 Å²	15.9	3%	0.031	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.9	172.4	-73.6	-98.3	0	0	0	111.8	L255 N784 V785 V840 P841 L1100 V1101 R1102 S1103	L255-Y844 HydrophobicContact CD2-CD2 3.92Å; L255-Y844 HydrophobicContact CD2-CE1 4.15Å; L255-Y844 HydrophobicContact CD2-CE2 3.37Å; N784-Y844 WeakPolarHBondContact ND2-CE2 3.3Å; N784-Y844 PolarHBondContact ND2-OH 2.81Å; V785-Y844 HydrophobicContact CG2-CD2 4Å; V785-Y844 HydrophobicContact CG2-CE2 3.59Å; V840-Y844 WeakPolarHBondContact CG2-O 3.4Å; P841-Y844 HydrophobicContact CG-CD2 4Å; P841-Y844 HydrophobicContact CG-CG 4.36Å; P841-Y844 PolarHBondContact O-N 3.06Å; P841-Y844 VanDerWaalsContact O-N 3.17Å; Y844-L1100 HydrophobicContact CD1-CD1 4.1Å; Y844-L1100 HydrophobicContact CD1-CD2 4.49Å; Y844-L1100 HydrophobicContact CD1-CG 3.97Å; Y844-L1100 HydrophobicContact CG-CD1 4.28Å; Y844-V1101 CarbonylContact C-O 3.59Å; Y844-V1101 VanDerWaalsContact CA-O 3.32Å; Y844-V1101 WeakPolarHBondContact CA-O 3.31Å; Y844-V1101 WeakPolarHBondContact CD1-O 3.38Å; Y844-R1102 HydrophobicContact CD1-CB 4.48Å; Y844-R1102 HydrophobicContact CE1-CB 4.19Å; Y844-S1103 PolarHBondContact N-OG 3.37Å
845	H	96.7	Very high	92.3	Very high	30 Å²	30	16.1 Å²	16.1	14%	0.139	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	152.9	173.3	-70	74.8	0	0	0	109.5	V1101 S1103 R1106 I1145 D1146	H845-V1101 PolarHBondContact N-O 2.55Å; H845-V1101 PolarHBondContact O-N 3.25Å; H845-S1103 PolarHBondContact CE1-OG 3.4Å; H845-S1103 PolarHBondContact ND1-OG 2.95Å; H845-R1106 HydrophobicContact CB-CB 4.43Å; H845-I1145 HydrophobicContact CB-CG2 4.08Å; H845-D1146 CarbonylContact C-O 3.52Å; H845-D1146 WeakPolarHBondContact CA-O 3.35Å
846	L	97.1	Very high	92.1	Very high	6 Å²	6	15.8 Å²	15.8	3%	0.031	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.3	163.9	-61.4	178.2	0	0	0	108.5	V840 Y1099 L1100 I1145 D1146 L1149	V840-L846 HydrophobicContact CG1-CD1 4.28Å; V840-L846 HydrophobicContact CG1-CD2 3.61Å; V840-L846 HydrophobicContact CG1-CG 3.47Å; V840-L846 VanDerWaalsContact CG1-CG 3.47Å; L846-Y1099 CarbonylContact C-O 3.12Å; L846-Y1099 WeakPolarHBondContact CA-O 3.37Å; L846-L1100 HydrophobicContact CD2-CB 4.37Å; L846-L1100 HydrophobicContact CD2-CD1 4.1Å; L846-I1145 WeakPolarHBondContact O-CA 3.38Å; L846-D1146 PolarHBondContact N-O 3.2Å; L846-D1146 PolarHBondContact O-N 3.27Å; L846-L1149 HydrophobicContact CD1-CB 3.74Å; L846-L1149 HydrophobicContact CD1-CD1 4.41Å
847	V	97.4	Very high	92.1	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	128.3	173	-178.3	0	0	0	0	108	Y1099 V1101 R1106 A1109 A1110 V1143 D1144 I1145	V847-Y1099 PolarHBondContact N-O 2.98Å; V847-Y1099 PolarHBondContact O-N 3.06Å; V847-V1101 HydrophobicContact CB-CG2 4.07Å; V847-V1101 HydrophobicContact CG2-CB 4.03Å; V847-V1101 HydrophobicContact CG2-CG2 3.91Å; V847-R1106 HydrophobicContact CG2-CB 4.13Å; V847-A1109 HydrophobicContact CB-CB 4.48Å; V847-A1109 HydrophobicContact CG1-CB 4.27Å; V847-A1109 HydrophobicContact CG2-CB 4.38Å; V847-A1110 HydrophobicContact CG1-CB 4.13Å; V847-V1143 HydrophobicContact CG1-CG1 3.8Å; V847-D1144 WeakPolarHBondContact CA-O 3.47Å; V847-I1145 HydrophobicContact CG1-CG1 4.49Å; V847-I1145 HydrophobicContact CG2-CG1 4.31Å; V847-I1145 HydrophobicContact CG2-CG2 4.45Å
848	G	95.8	Very high	92	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	178	175.1	0	0	0	0	0	113.6	V1097 R1098 D1144	G848-V1097 WeakPolarHBondContact CA-O 3.43Å; G848-R1098 PolarHBondContact O-NH1 2.73Å; G848-D1144 PolarHBondContact N-O 3.44Å; G848-D1144 WeakPolarHBondContact O-CA 3.3Å; G848-D1144 WeakPolarHBondContact O-CB 3.5Å; G848-D1144 PolarHBondContact O-N 3.14Å
849	A	93.8	Very high	91.8	Very high	2 Å²	2	16 Å²	16	2%	0.017	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.6	-179.2	0	0	0	0	0	110.6	E1096 V1097 L1113 F1140 V1143	A849-E1096 WeakPolarHBondContact O-CA 3.32Å; A849-V1097 PolarHBondContact N-O 3.2Å; A849-V1097 PolarHBondContact O-N 3.48Å; A849-V1097 VanDerWaalsContact O-N 3.14Å; A849-L1113 HydrophobicContact CB-CD2 3.97Å; A849-F1140 HydrophobicContact CB-CB 4.3Å; A849-F1140 HydrophobicContact CB-CD1 3.64Å; A849-F1140 HydrophobicContact CB-CD2 3.95Å; A849-F1140 HydrophobicContact CB-CE1 3.81Å; A849-F1140 HydrophobicContact CB-CE2 4.11Å; A849-F1140 HydrophobicContact CB-CG 3.7Å; A849-F1140 HydrophobicContact CB-CZ 4.05Å; A849-V1143 HydrophobicContact CB-CG2 4.35Å
850	D	90.9	Very high	91.7	Very high	66 Å²	66	15.8 Å²	15.8	35%	0.353	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	130.7	167.3	-169.5	13.6	0	0	0	109.2	D852 E1096 F1140	D850-D852 PolarHBondContact O-N 3.24Å; D850-D852 VanDerWaalsContact O-N 3.17Å; D850-E1096 HydrophobicContact CB-CG 4.03Å; D850-F1140 WeakPolarHBondContact O-CD1 3.45Å
851	V	84.8	Confident	91.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.006	9%	0.087	C	C	.	.			trans	-81.1	99	177.1	-174.4	0	0	0	0	108.9	S853 Q854 Y1068 M1072 D1095 F1140	V851-S853 PolarHBondContact O-N 2.79Å; V851-S853 VanDerWaalsContact O-N 3.09Å; V851-Q854 HydrophobicContact CB-CB 4.05Å; V851-Q854 HydrophobicContact CB-CG 4.43Å; V851-Q854 HydrophobicContact CG1-CB 3.69Å; V851-Q854 HydrophobicContact CG1-CG 3.91Å; V851-Q854 PolarHBondContact O-N 3.06Å; V851-Y1068 HydrophobicContact CG1-CE1 4.08Å; V851-Y1068 HydrophobicContact CG2-CE1 4.18Å; V851-M1072 HydrophobicContact CG2-CE 4.38Å; V851-M1072 HydrophobicContact CG2-SD 3.97Å; V851-D1095 HydrophobicContact CB-CB 4.45Å; V851-D1095 WeakPolarHBondContact CG2-O 3.1Å; V851-D1095 PolarHBondContact N-O 3.32Å; V851-D1095 VanDerWaalsContact N-O 3.14Å; V851-F1140 HydrophobicContact CB-CE1 4.18Å; V851-F1140 HydrophobicContact CG2-CE1 3.64Å; V851-F1140 HydrophobicContact CG2-CZ 4.11Å
852	D	78.3	Confident	91.6	Very high	77 Å²	77	14.8 Å²	14.8	41%	0.412	9%	0.085	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	117.9	178.1	-72.6	-53.3	0	0	0	112.2	D850 Q854 S1141	D850-D852 PolarHBondContact O-N 3.24Å; D850-D852 VanDerWaalsContact O-N 3.17Å; D852-Q854 PolarHBondContact O-N 3.11Å; D852-Q854 VanDerWaalsContact O-N 3.12Å; D852-S1141 VanDerWaalsContact OD2-CB 3.29Å; D852-S1141 WeakPolarHBondContact OD2-CB 3.4Å; D852-S1141 PolarHBondContact OD2-OG 2.72Å
853	S	80.1	Confident	91.6	Very high	52 Å²	52	13.9 Å²	13.9	36%	0.364	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.1	37.3	173.1	-71.6	0	0	0	0	114.1	V851 E855 L856 W857	V851-S853 PolarHBondContact O-N 2.79Å; V851-S853 VanDerWaalsContact O-N 3.09Å; S853-E855 PolarHBondContact O-N 2.94Å; S853-L856 WeakPolarHBondContact O-CB 3.22Å; S853-L856 PolarHBondContact O-N 3.09Å; S853-L856 VanDerWaalsContact O-N 3.14Å; S853-W857 PolarHBondContact O-N 2.91Å
854	Q	88.6	Confident	91.6	Very high	10 Å²	10	13.3 Å²	13.3	5%	0.047	7%	0.073	C	C	.	.	H	α-helix	trans	-46.1	-58	-175.6	-172.6	-172.9	50.8	0	0	113.2	V851 D852 L856 W857 I858 Y1068 D1095	V851-Q854 HydrophobicContact CB-CB 4.05Å; V851-Q854 HydrophobicContact CB-CG 4.43Å; V851-Q854 HydrophobicContact CG1-CB 3.69Å; V851-Q854 HydrophobicContact CG1-CG 3.91Å; V851-Q854 PolarHBondContact O-N 3.06Å; D852-Q854 PolarHBondContact O-N 3.11Å; D852-Q854 VanDerWaalsContact O-N 3.12Å; Q854-L856 PolarHBondContact O-N 3.36Å; Q854-W857 PolarHBondContact O-N 2.88Å; Q854-I858 HydrophobicContact CG-CD1 4.11Å; Q854-I858 VanDerWaalsContact O-CG1 3.31Å; Q854-I858 WeakPolarHBondContact O-CG1 3.32Å; Q854-I858 PolarHBondContact O-N 2.92Å; Q854-Y1068 HydrophobicContact CG-CD2 4.35Å; Q854-Y1068 HydrophobicContact CG-CG 4.32Å; Q854-Y1068 VanDerWaalsContact NE2-CG 3.3Å; Q854-D1095 PolarHBondContact OE1-OD1 3.2Å
855	E	90.8	Very high	91.4	Very high	10 Å²	10	14.2 Å²	14.2	5%	0.047	8%	0.083	C	C	.	.	H	α-helix	trans	-68.4	-34.8	-176.1	-61.2	-168.7	-142.1	0	0	113.3	R813 S853 I858 A859 Y915 V1061 A1065	R813-E855 IonicContact CZ-OE1 3.53Å; R813-E855 IonicContact NH1-OE1 3.34Å; R813-E855 IonicContact NH2-OE1 3.88Å; R813-E855 PolarHBondContact NH2-OE1 3.09Å; R813-E855 IonicContact NH2-OE2 3.05Å; R813-E855 PolarHBondContact NH2-OE2 3.28Å; S853-E855 PolarHBondContact O-N 2.94Å; E855-I858 PolarHBondContact O-N 3.15Å; E855-A859 WeakPolarHBondContact O-CB 3.39Å; E855-A859 PolarHBondContact O-N 2.89Å; E855-Y915 PolarHBondContact OE1-OH 3.23Å; E855-Y915 VanDerWaalsContact OE1-OH 3.1Å; E855-Y915 WeakPolarHBondContact OE2-CE1 3.19Å; E855-Y915 PolarHBondContact OE2-OH 3.23Å; E855-V1061 HydrophobicContact CB-CG1 4.07Å; E855-A1065 HydrophobicContact CG-CB 4.09Å
856	L	90.3	Very high	91.1	Very high	4 Å²	4	16.3 Å²	16.3	2%	0.021	9%	0.092	C	C	.	.	H	α-helix	trans	-65.3	-45	176.8	-78.6	159.7	0	0	0	110.5	S853 Q854 A859 A860 F876 L891 Y911 I914	S853-L856 WeakPolarHBondContact O-CB 3.22Å; S853-L856 PolarHBondContact O-N 3.09Å; S853-L856 VanDerWaalsContact O-N 3.14Å; Q854-L856 PolarHBondContact O-N 3.36Å; L856-A859 PolarHBondContact O-N 3.3Å; L856-A860 WeakPolarHBondContact O-CB 3.22Å; L856-A860 PolarHBondContact O-N 3.43Å; L856-F876 HydrophobicContact CD2-CE2 4.08Å; L856-F876 HydrophobicContact CD2-CZ 4Å; L856-L891 HydrophobicContact CD2-CD2 3.59Å; L856-Y911 HydrophobicContact CD1-CE1 4.44Å; L856-Y911 HydrophobicContact CD1-CE2 4.02Å; L856-Y911 WeakPolarHBondContact CD1-OH 3.35Å; L856-Y911 HydrophobicContact CG-CE1 4.42Å; L856-I914 HydrophobicContact CD2-CD1 3.32Å; L856-I914 HydrophobicContact CG-CD1 4.43Å
857	W	93.1	Very high	90.7	Very high	3 Å²	3	17 Å²	17	1%	0.011	10%	0.095	C	C	.	.	H	α-helix	trans	-63.5	-45.6	176.1	175.2	73.7	0	0	0	111.6	S853 Q854 A859 A860 V861 T880 Y1068 R1121 F1124 L1133	S853-W857 PolarHBondContact O-N 2.91Å; Q854-W857 PolarHBondContact O-N 2.88Å; W857-A859 VanDerWaalsContact C-N 3.32Å; W857-A859 PolarHBondContact O-N 3.45Å; W857-A860 WeakPolarHBondContact O-CB 3.28Å; W857-A860 PolarHBondContact O-N 3.23Å; W857-A860 VanDerWaalsContact O-N 3.12Å; W857-V861 HydrophobicContact CD2-CG2 4.11Å; W857-V861 HydrophobicContact CG-CG2 4.29Å; W857-V861 HydrophobicContact CZ2-CG2 3.91Å; W857-V861 VanDerWaalsContact NE1-CG2 3.35Å; W857-V861 VanDerWaalsContact O-CG2 3.31Å; W857-V861 WeakPolarHBondContact O-CG2 3.25Å; W857-V861 PolarHBondContact O-N 3.19Å; W857-T880 HydrophobicContact CB-CG2 4.26Å; W857-Y1068 HydrophobicContact CE3-CE2 4.12Å; W857-Y1068 HydrophobicContact CZ3-CD2 4.16Å; W857-Y1068 AromaticContact CZ3-CE2 3.66Å; W857-Y1068 HydrophobicContact CZ3-CE2 3.66Å; W857-R1121 HydrophobicContact CE3-CG 4.48Å; W857-R1121 HydrophobicContact CH2-CB 3.69Å; W857-R1121 HydrophobicContact CH2-CG 3.63Å; W857-R1121 HydrophobicContact CZ2-CB 3.97Å; W857-R1121 HydrophobicContact CZ2-CG 4.04Å; W857-R1121 HydrophobicContact CZ3-CB 4.43Å; W857-R1121 HydrophobicContact CZ3-CG 3.89Å; W857-F1124 HydrophobicContact CH2-CB 3.6Å; W857-F1124 HydrophobicContact CH2-CG 4.15Å; W857-F1124 HydrophobicContact CZ3-CB 4.01Å; W857-F1124 HydrophobicContact CZ3-CD1 4.13Å; W857-F1124 HydrophobicContact CZ3-CG 4.03Å; W857-L1133 HydrophobicContact CZ2-CD1 3.96Å
858	I	93.3	Very high	90.3	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-57.6	-47.5	175.6	-67.8	168.9	0	0	0	110.4	Q854 E855 A860 L862 A1065 Y1068 F1124	Q854-I858 HydrophobicContact CG-CD1 4.11Å; Q854-I858 VanDerWaalsContact O-CG1 3.31Å; Q854-I858 WeakPolarHBondContact O-CG1 3.32Å; Q854-I858 PolarHBondContact O-N 2.92Å; E855-I858 PolarHBondContact O-N 3.15Å; I858-A860 VanDerWaalsContact C-N 3.3Å; I858-A860 PolarHBondContact O-N 3.39Å; I858-L862 HydrophobicContact CG2-CD1 4.08Å; I858-L862 WeakPolarHBondContact O-CG 3.48Å; I858-L862 PolarHBondContact O-N 3.34Å; I858-L862 VanDerWaalsContact O-N 3.11Å; I858-A1065 HydrophobicContact CD1-CB 4.19Å; I858-Y1068 HydrophobicContact CD1-CD2 4.23Å; I858-F1124 HydrophobicContact CD1-CE1 3.87Å; I858-F1124 HydrophobicContact CD1-CZ 4.21Å; I858-F1124 HydrophobicContact CG1-CD1 4.18Å; I858-F1124 HydrophobicContact CG1-CE1 3.79Å; I858-F1124 HydrophobicContact CG2-CE1 4.21Å
859	A	92.4	Very high	89.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.1	-39.5	177.5	0	0	0	0	0	112	E855 L856 W857 G863 F876 I914 M1017 V1061	E855-A859 WeakPolarHBondContact O-CB 3.39Å; E855-A859 PolarHBondContact O-N 2.89Å; L856-A859 PolarHBondContact O-N 3.3Å; W857-A859 VanDerWaalsContact C-N 3.32Å; W857-A859 PolarHBondContact O-N 3.45Å; A859-G863 PolarHBondContact O-N 3.03Å; A859-F876 HydrophobicContact CB-CE1 3.93Å; A859-F876 HydrophobicContact CB-CZ 4.3Å; A859-I914 HydrophobicContact CB-CG2 4.25Å; A859-M1017 HydrophobicContact CB-CG 4.03Å; A859-M1017 HydrophobicContact CB-SD 4.41Å; A859-M1017 WeakPolarHBondContact O-CG 3.28Å; A859-V1061 HydrophobicContact CB-CG2 4.46Å
860	A	93.1	Very high	89.8	Confident	1 Å²	1	19.8 Å²	19.8	1%	0.008	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-52.8	179.5	0	0	0	0	0	111.6	L856 W857 I858 L862 G863 E864 F876	L856-A860 WeakPolarHBondContact O-CB 3.22Å; L856-A860 PolarHBondContact O-N 3.43Å; W857-A860 WeakPolarHBondContact O-CB 3.28Å; W857-A860 PolarHBondContact O-N 3.23Å; W857-A860 VanDerWaalsContact O-N 3.12Å; I858-A860 VanDerWaalsContact C-N 3.3Å; I858-A860 PolarHBondContact O-N 3.39Å; A860-L862 PolarHBondContact O-N 3.37Å; A860-G863 WeakPolarHBondContact O-CA 3.36Å; A860-G863 PolarHBondContact O-N 3.04Å; A860-E864 WeakPolarHBondContact O-CG 3.45Å; A860-E864 PolarHBondContact O-N 3.17Å; A860-F876 VanDerWaalsContact CA-CE1 3.45Å; A860-F876 HydrophobicContact CB-CD1 3.73Å; A860-F876 HydrophobicContact CB-CE1 3.7Å; A860-F876 HydrophobicContact CB-CZ 4.46Å
861	V	93.8	Very high	89.8	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-32.3	-178.7	180	0	0	0	0	111.2	W857 E864 A865 L1128 M1130	W857-V861 HydrophobicContact CD2-CG2 4.11Å; W857-V861 HydrophobicContact CG-CG2 4.29Å; W857-V861 HydrophobicContact CZ2-CG2 3.91Å; W857-V861 VanDerWaalsContact NE1-CG2 3.35Å; W857-V861 VanDerWaalsContact O-CG2 3.31Å; W857-V861 WeakPolarHBondContact O-CG2 3.25Å; W857-V861 PolarHBondContact O-N 3.19Å; V861-E864 PolarHBondContact O-N 2.9Å; V861-A865 VanDerWaalsContact O-CB 3.3Å; V861-A865 WeakPolarHBondContact O-CB 3.37Å; V861-A865 PolarHBondContact O-N 3.23Å; V861-L1128 HydrophobicContact CB-CD1 4.31Å; V861-L1128 HydrophobicContact CG1-CD1 3.49Å; V861-L1128 VanDerWaalsContact CG1-CD1 3.49Å; V861-M1130 HydrophobicContact CG1-CE 3.25Å
862	L	92.9	Very high	90.1	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-41.6	172.4	-71.5	172.2	0	0	0	113.1	I858 A860 H866 K1020 L1021 P1033 L1128	I858-L862 HydrophobicContact CG2-CD1 4.08Å; I858-L862 WeakPolarHBondContact O-CG 3.48Å; I858-L862 PolarHBondContact O-N 3.34Å; I858-L862 VanDerWaalsContact O-N 3.11Å; A860-L862 PolarHBondContact O-N 3.37Å; L862-H866 PolarHBondContact O-N 3.34Å; L862-K1020 HydrophobicContact CB-CG 4.26Å; L862-K1020 WeakPolarHBondContact O-CG 3.42Å; L862-L1021 HydrophobicContact CD1-CD2 4.01Å; L862-P1033 HydrophobicContact CD1-CG 4.48Å; L862-P1033 HydrophobicContact CD2-CB 4.01Å; L862-P1033 HydrophobicContact CD2-CG 3.48Å; L862-P1033 VanDerWaalsContact CD2-CG 3.48Å; L862-L1128 HydrophobicContact CD2-CD1 3.91Å; L862-L1128 HydrophobicContact CD2-CD2 3.6Å; L862-L1128 HydrophobicContact CD2-CG 4.43Å; L862-L1128 HydrophobicContact CG-CD1 4.49Å
863	G	91.9	Very high	90.7	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-65.9	-42.8	174.3	0	0	0	0	0	112	A859 A860 H866 F867	A859-G863 PolarHBondContact O-N 3.03Å; A860-G863 WeakPolarHBondContact O-CA 3.36Å; A860-G863 PolarHBondContact O-N 3.04Å; G863-H866 WeakPolarHBondContact O-CB 2.94Å; G863-H866 PolarHBondContact O-N 3.12Å; G863-H866 VanDerWaalsContact O-N 3.16Å; G863-F867 WeakPolarHBondContact O-CB 3.18Å; G863-F867 PolarHBondContact O-N 3.28Å
864	E	92.9	Very high	91.2	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-64.9	-42.7	-179.7	-69.1	179.1	150.9	0	0	113	A860 V861 H866 F867 A868 G869 H871 G872 T874 G877	A860-E864 WeakPolarHBondContact O-CG 3.45Å; A860-E864 PolarHBondContact O-N 3.17Å; V861-E864 PolarHBondContact O-N 2.9Å; E864-H866 PolarHBondContact O-N 3.13Å; E864-F867 PolarHBondContact O-N 3.14Å; E864-A868 PolarHBondContact O-N 3.28Å; E864-A868 VanDerWaalsContact O-N 3.15Å; E864-G869 PolarHBondContact O-N 3.43Å; E864-H871 IonicContact OE2-ND1 3.94Å; E864-G872 VanDerWaalsContact CD-N 3.29Å; E864-G872 WeakPolarHBondContact OE1-CA 3.17Å; E864-G872 PolarHBondContact OE1-N 3.33Å; E864-T874 HydrophobicContact CG-CG2 4.08Å; E864-T874 WeakPolarHBondContact CG-OG1 3.33Å; E864-G877 VanDerWaalsContact OE1-CA 3.24Å; E864-G877 WeakPolarHBondContact OE1-CA 3.22Å
865	A	91.4	Very high	91.3	Very high	28 Å²	28	10.3 Å²	10.3	23%	0.231	7%	0.067	C	C	.	.	H	α-helix	trans	-60.8	-31.1	174.4	0	0	0	0	0	112.4	V861 L1128 M1130	V861-A865 VanDerWaalsContact O-CB 3.3Å; V861-A865 WeakPolarHBondContact O-CB 3.37Å; V861-A865 PolarHBondContact O-N 3.23Å; A865-L1128 HydrophobicContact CB-CB 3.98Å; A865-M1130 HydrophobicContact CB-CE 4.06Å
866	H	89.6	Confident	91.4	Very high	73 Å²	73	10 Å²	10	34%	0.338	7%	0.065	S	C	.	.	H	α-helix	trans	-81.3	-34.2	176.4	-177.9	-93.3	0	0	0	113.1	L862 G863 E864 D1016 K1020	L862-H866 PolarHBondContact O-N 3.34Å; G863-H866 WeakPolarHBondContact O-CB 2.94Å; G863-H866 PolarHBondContact O-N 3.12Å; G863-H866 VanDerWaalsContact O-N 3.16Å; E864-H866 PolarHBondContact O-N 3.13Å; H866-D1016 IonicContact ND1-OD1 3.66Å; H866-K1020 HydrophobicContact CB-CB 3.99Å; H866-K1020 HydrophobicContact CB-CD 4.12Å; H866-K1020 HydrophobicContact CB-CG 4.28Å
867	F	89.8	Confident	91.4	Very high	20 Å²	20	9.8 Å²	9.8	9%	0.088	6%	0.064	C	C	.	.	H	α-helix	trans	-77.5	-61.1	-174.3	-178.7	-103.4	0	0	0	112.9	R73 H77 G863 E864 C873 T874 D1016	R73-F867 HydrophobicContact CG-CE1 4.24Å; R73-F867 HydrophobicContact CG-CE2 4.34Å; R73-F867 HydrophobicContact CG-CZ 3.7Å; R73-F867 VanDerWaalsContact NE-CE2 3.28Å; H77-F867 HydrophobicContact CB-CZ 3.93Å; G863-F867 WeakPolarHBondContact O-CB 3.18Å; G863-F867 PolarHBondContact O-N 3.28Å; E864-F867 PolarHBondContact O-N 3.14Å; F867-C873 HydrophobicContact CD1-CB 4Å; F867-C873 HydrophobicContact CE1-CB 4.39Å; F867-T874 HydrophobicContact CB-CG2 3.81Å; F867-T874 HydrophobicContact CD1-CG2 4.13Å; F867-T874 HydrophobicContact CG-CG2 3.97Å; F867-D1016 HydrophobicContact CB-CB 4.27Å; F867-D1016 WeakPolarHBondContact CD2-OD2 3.48Å
868	A	88.1	Confident	91.3	Very high	25 Å²	25	10 Å²	10	21%	0.207	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.7	-7.7	-173.8	0	0	0	0	0	113.9	A70 E864 M870 C873	A70-A868 HydrophobicContact CB-CB 4.16Å; E864-A868 PolarHBondContact O-N 3.28Å; E864-A868 VanDerWaalsContact O-N 3.15Å; A868-M870 HydrophobicContact CB-CE 3.67Å; A868-C873 HydrophobicContact CB-CB 3.97Å
869	G	88.4	Confident	91.1	Very high	33 Å²	33	10.3 Å²	10.3	34%	0.34	7%	0.067	S	C	.	.	S	Bend	trans	72.2	26.6	-178.7	0	0	0	0	0	113.8	E864	E864-G869 PolarHBondContact O-N 3.43Å
870	M	90.7	Very high	91	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.02	8%	0.078	C	C	.	.	S	Bend	trans	-133.6	140.5	-177.7	-56	-175.7	-80.5	0	0	110.8	Y66 A70 V71 S74 A868 C873	Y66-M870 HydrophobicContact CD1-CB 4.47Å; Y66-M870 HydrophobicContact CD1-CG 3.39Å; Y66-M870 HydrophobicContact CD1-SD 3.28Å; Y66-M870 WeakPolarHBondContact CD1-SD 3.2Å; Y66-M870 HydrophobicContact CE1-CB 4.25Å; Y66-M870 HydrophobicContact CE1-CG 3.59Å; Y66-M870 HydrophobicContact CE1-SD 3.92Å; Y66-M870 HydrophobicContact CG-CG 4.44Å; Y66-M870 HydrophobicContact CG-SD 3.78Å; A70-M870 HydrophobicContact CB-CE 3.95Å; A70-M870 WeakPolarHBondContact O-CE 3.47Å; V71-M870 HydrophobicContact CG2-CE 4.02Å; V71-M870 HydrophobicContact CG2-SD 3.92Å; S74-M870 WeakPolarHBondContact OG-CE 3.03Å; A868-M870 HydrophobicContact CB-CE 3.67Å; M870-C873 HydrophobicContact CB-CB 4.23Å; M870-C873 WeakPolarHBondContact O-CB 3.21Å; M870-C873 PolarHBondContact O-N 3.1Å; M870-C873 PolarHBondContact O-SG 2.99Å
871	H	91.8	Very high	90.7	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.019	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	138.3	174.5	-66	-74.6	0	0	0	111.5	N43 I47 E864 C873 L881 D1132 P1134	N43-H871 PolarHBondContact ND2-O 3.07Å; N43-H871 VanDerWaalsContact ND2-O 3.09Å; I47-H871 WeakPolarHBondContact CD1-O 3.4Å; E864-H871 IonicContact OE2-ND1 3.94Å; H871-C873 VanDerWaalsContact C-N 3.27Å; H871-C873 PolarHBondContact O-N 2.89Å; H871-L881 HydrophobicContact CB-CD1 4.19Å; H871-D1132 PolarHBondContact CD2-O 3.05Å; H871-D1132 PolarHBondContact NE2-O 3.02Å; H871-P1134 HydrophobicContact CB-CG 3.59Å
872	G	90.3	Very high	90.3	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	18.2	-176.9	0	0	0	0	0	116.4	I47 E864 T874	I47-G872 VanDerWaalsContact CD1-CA 3.4Å; E864-G872 VanDerWaalsContact CD-N 3.29Å; E864-G872 WeakPolarHBondContact OE1-CA 3.17Å; E864-G872 PolarHBondContact OE1-N 3.33Å; G872-T874 VanDerWaalsContact C-N 3.28Å; G872-T874 PolarHBondContact O-N 2.91Å
873	C	90.9	Very high	89.9	Confident	0 Å²	0	15 Å²	15	0%	0	10%	0.098	C	C	.	.			trans	-71.3	-21.9	177.1	64.7	0	0	0	0	114.1	L45 S74 F867 A868 M870 H871	L45-C873 HydrophobicContact CD1-CB 4.07Å; S74-C873 VanDerWaalsContact OG-CB 3.28Å; S74-C873 WeakPolarHBondContact OG-CB 3.32Å; F867-C873 HydrophobicContact CD1-CB 4Å; F867-C873 HydrophobicContact CE1-CB 4.39Å; A868-C873 HydrophobicContact CB-CB 3.97Å; M870-C873 HydrophobicContact CB-CB 4.23Å; M870-C873 WeakPolarHBondContact O-CB 3.21Å; M870-C873 PolarHBondContact O-N 3.1Å; M870-C873 PolarHBondContact O-SG 2.99Å; H871-C873 VanDerWaalsContact C-N 3.27Å; H871-C873 PolarHBondContact O-N 2.89Å
874	T	92.2	Very high	89.4	Confident	4 Å²	4	17.2 Å²	17.2	3%	0.025	11%	0.107	C	C	.	.	S	Bend	trans	-102.5	151.7	177.5	64.6	0	0	0	0	110.6	E864 F867 G872 F876 G877 W878	E864-T874 HydrophobicContact CG-CG2 4.08Å; E864-T874 WeakPolarHBondContact CG-OG1 3.33Å; F867-T874 HydrophobicContact CB-CG2 3.81Å; F867-T874 HydrophobicContact CD1-CG2 4.13Å; F867-T874 HydrophobicContact CG-CG2 3.97Å; G872-T874 VanDerWaalsContact C-N 3.28Å; G872-T874 PolarHBondContact O-N 2.91Å; T874-F876 PolarHBondContact O-N 3.32Å; T874-G877 PolarHBondContact O-N 3.45Å; T874-G877 PolarHBondContact OG1-N 3.47Å; T874-G877 VanDerWaalsContact OG1-N 3.14Å; T874-W878 WeakPolarHBondContact O-CB 3.49Å; T874-W878 PolarHBondContact O-N 3.09Å
875	A	90.6	Very high	89	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-39.9	175.7	0	0	0	0	0	111.7	H77 H81 L83 M879 T1013	H77-A875 PolarHBondContact CD2-N 3.27Å; H77-A875 VanDerWaalsContact CD2-N 3.33Å; H77-A875 PolarHBondContact NE2-N 3.1Å; H81-A875 HydrophobicContact CB-CB 3.96Å; L83-A875 HydrophobicContact CD1-CB 3.67Å; A875-M879 HydrophobicContact CB-CE 4.22Å; A875-M879 WeakPolarHBondContact O-CB 3.01Å; A875-M879 WeakPolarHBondContact O-CG 3.37Å; A875-M879 PolarHBondContact O-N 3.41Å; A875-T1013 HydrophobicContact CB-CG2 4.18Å
876	F	91.1	Very high	88.6	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-51.3	176.4	-179.7	-130.8	0	0	0	112.6	L856 A859 A860 T874 M879 T880 L891 I914 T1013 E1014 M1017	L856-F876 HydrophobicContact CD2-CE2 4.08Å; L856-F876 HydrophobicContact CD2-CZ 4Å; A859-F876 HydrophobicContact CB-CE1 3.93Å; A859-F876 HydrophobicContact CB-CZ 4.3Å; A860-F876 VanDerWaalsContact CA-CE1 3.45Å; A860-F876 HydrophobicContact CB-CD1 3.73Å; A860-F876 HydrophobicContact CB-CE1 3.7Å; A860-F876 HydrophobicContact CB-CZ 4.46Å; T874-F876 PolarHBondContact O-N 3.32Å; F876-M879 PolarHBondContact O-N 2.81Å; F876-T880 PolarHBondContact O-N 2.92Å; F876-T880 PolarHBondContact O-OG1 2.99Å; F876-T880 VanDerWaalsContact O-OG1 3.14Å; F876-L891 HydrophobicContact CD2-CD1 3.83Å; F876-L891 HydrophobicContact CD2-CD2 4.33Å; F876-L891 HydrophobicContact CE2-CD1 4.03Å; F876-L891 HydrophobicContact CE2-CD2 3.68Å; F876-L891 HydrophobicContact CE2-CG 4.45Å; F876-I914 HydrophobicContact CE2-CD1 4.41Å; F876-I914 HydrophobicContact CZ-CD1 4.05Å; F876-T1013 WeakPolarHBondContact CB-O 3.42Å; F876-T1013 PolarHBondContact N-O 3.01Å; F876-E1014 HydrophobicContact CB-CG 3.85Å; F876-E1014 HydrophobicContact CD1-CG 4.24Å; F876-E1014 HydrophobicContact CD2-CG 3.71Å; F876-E1014 HydrophobicContact CE2-CG 4.29Å; F876-E1014 HydrophobicContact CG-CG 3.7Å; F876-M1017 HydrophobicContact CD1-CB 4.41Å; F876-M1017 HydrophobicContact CD1-CE 4.35Å; F876-M1017 HydrophobicContact CE1-CE 3.89Å; F876-M1017 HydrophobicContact CE1-CG 4.29Å; F876-M1017 HydrophobicContact CZ-CE 4.22Å
877	G	90.7	Very high	88.1	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-70	-33.2	-179.8	0	0	0	0	0	113.7	E864 T874 M879 T880 L881	E864-G877 VanDerWaalsContact OE1-CA 3.24Å; E864-G877 WeakPolarHBondContact OE1-CA 3.22Å; T874-G877 PolarHBondContact O-N 3.45Å; T874-G877 PolarHBondContact OG1-N 3.47Å; T874-G877 VanDerWaalsContact OG1-N 3.14Å; G877-M879 PolarHBondContact O-N 3.36Å; G877-T880 PolarHBondContact O-N 3.15Å; G877-L881 WeakPolarHBondContact O-CB 3.5Å; G877-L881 VanDerWaalsContact O-CG 3.27Å; G877-L881 WeakPolarHBondContact O-CG 3.05Å; G877-L881 PolarHBondContact O-N 3.48Å
878	W	91.8	Very high	87.7	Confident	8 Å²	8	28.7 Å²	28.7	3%	0.03	17%	0.172	C	C	.	.	H	α-helix	trans	-59.7	-46.5	169.5	-168.3	96.8	0	0	0	111.7	L78 L83 K86 T874 T880 L881 Q882 G883	L78-W878 HydrophobicContact CD2-CB 3.81Å; L78-W878 HydrophobicContact CD2-CG 4.05Å; L83-W878 HydrophobicContact CB-CD2 4.15Å; L83-W878 HydrophobicContact CB-CE3 4.07Å; L83-W878 HydrophobicContact CB-CZ3 4.44Å; L83-W878 HydrophobicContact CD1-CB 4.42Å; L83-W878 HydrophobicContact CD1-CD2 4.41Å; L83-W878 HydrophobicContact CD1-CE3 4.01Å; L83-W878 HydrophobicContact CD2-CE3 3.84Å; L83-W878 HydrophobicContact CD2-CZ3 3.84Å; L83-W878 HydrophobicContact CG-CE3 4.19Å; K86-W878 HydrophobicContact CB-CH2 4.03Å; K86-W878 HydrophobicContact CB-CZ2 4.23Å; K86-W878 HydrophobicContact CD-CH2 4.44Å; T874-W878 WeakPolarHBondContact O-CB 3.49Å; T874-W878 PolarHBondContact O-N 3.09Å; W878-T880 VanDerWaalsContact C-N 3.25Å; W878-T880 PolarHBondContact O-N 3.05Å; W878-L881 PolarHBondContact O-N 3.1Å; W878-Q882 HydrophobicContact CD2-CB 4.25Å; W878-Q882 HydrophobicContact CE3-CB 4.49Å; W878-Q882 HydrophobicContact CH2-CB 4.2Å; W878-Q882 HydrophobicContact CZ2-CB 3.94Å; W878-Q882 HydrophobicContact CZ3-CB 4.46Å; W878-Q882 PolarHBondContact O-N 3.41Å; W878-G883 PolarHBondContact O-N 2.52Å
879	M	89.7	Confident	87.5	Confident	8 Å²	8	27.6 Å²	27.6	4%	0.039	16%	0.163	C	C	.	.	H	α-helix	trans	-62.3	-31.8	176.2	-71	-179.9	-147.7	0	0	112.5	L83 A875 F876 G877 G883 T889 L891 T1013	L83-M879 HydrophobicContact CD1-CE 3.8Å; L83-M879 HydrophobicContact CD1-CG 4.1Å; L83-M879 HydrophobicContact CD2-CE 4.44Å; L83-M879 HydrophobicContact CD2-CG 4.42Å; A875-M879 HydrophobicContact CB-CE 4.22Å; A875-M879 WeakPolarHBondContact O-CB 3.01Å; A875-M879 WeakPolarHBondContact O-CG 3.37Å; A875-M879 PolarHBondContact O-N 3.41Å; F876-M879 PolarHBondContact O-N 2.81Å; G877-M879 PolarHBondContact O-N 3.36Å; M879-G883 VanDerWaalsContact O-CA 3.26Å; M879-G883 WeakPolarHBondContact O-CA 3.35Å; M879-G883 PolarHBondContact O-N 3.18Å; M879-T889 WeakPolarHBondContact CG-O 3.37Å; M879-L891 HydrophobicContact SD-CD1 4.1Å; M879-T1013 HydrophobicContact CE-CG2 4.01Å
880	T	88.4	Confident	87.5	Confident	37 Å²	37	26.6 Å²	26.6	23%	0.227	15%	0.15	C	C	.	.	H	α-helix	trans	-75.1	-37.8	175.9	-57.1	0	0	0	0	112.7	W857 F876 G877 W878	W857-T880 HydrophobicContact CB-CG2 4.26Å; F876-T880 PolarHBondContact O-N 2.92Å; F876-T880 PolarHBondContact O-OG1 2.99Å; F876-T880 VanDerWaalsContact O-OG1 3.14Å; G877-T880 PolarHBondContact O-N 3.15Å; W878-T880 VanDerWaalsContact C-N 3.25Å; W878-T880 PolarHBondContact O-N 3.05Å
881	L	87.9	Confident	87.2	Confident	15 Å²	15	26.9 Å²	26.9	8%	0.079	15%	0.151	C	C	.	.	H	α-helix	trans	-87.2	-36.4	-174.6	-66.4	174.2	0	0	0	114	I47 H871 G877 W878 P1134 S1136 V1137	I47-L881 HydrophobicContact CD1-CD1 4.4Å; H871-L881 HydrophobicContact CB-CD1 4.19Å; G877-L881 WeakPolarHBondContact O-CB 3.5Å; G877-L881 VanDerWaalsContact O-CG 3.27Å; G877-L881 WeakPolarHBondContact O-CG 3.05Å; G877-L881 PolarHBondContact O-N 3.48Å; W878-L881 PolarHBondContact O-N 3.1Å; L881-P1134 HydrophobicContact CD1-CB 4.4Å; L881-P1134 HydrophobicContact CD1-CG 3.82Å; L881-P1134 HydrophobicContact CD2-CB 4.05Å; L881-P1134 HydrophobicContact CD2-CG 3.93Å; L881-S1136 PolarHBondContact O-OG 2.97Å; L881-V1137 HydrophobicContact CD2-CG1 3.54Å; L881-V1137 HydrophobicContact CD2-CG2 4.14Å
882	Q	85.3	Confident	87.1	Confident	28 Å²	28	27.3 Å²	27.3	13%	0.131	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-7.4	-172.6	-66.4	-169.5	-21.7	0	0	114	N46 T88 W878 K884	N46-Q882 PolarHBondContact O-NE2 2.84Å; T88-Q882 VanDerWaalsContact CG2-CD 3.48Å; T88-Q882 VanDerWaalsContact CG2-NE2 3.34Å; W878-Q882 HydrophobicContact CD2-CB 4.25Å; W878-Q882 HydrophobicContact CE3-CB 4.49Å; W878-Q882 HydrophobicContact CH2-CB 4.2Å; W878-Q882 HydrophobicContact CZ2-CB 3.94Å; W878-Q882 HydrophobicContact CZ3-CB 4.46Å; W878-Q882 PolarHBondContact O-N 3.41Å; Q882-K884 PolarHBondContact O-N 3.26Å
883	G	84.1	Confident	87	Confident	24 Å²	24	28 Å²	28	25%	0.247	16%	0.158	C	C	.	.			trans	-62.5	133.9	-179.4	0	0	0	0	0	112.7	W878 M879	W878-G883 PolarHBondContact O-N 2.52Å; M879-G883 VanDerWaalsContact O-CA 3.26Å; M879-G883 WeakPolarHBondContact O-CA 3.35Å; M879-G883 PolarHBondContact O-N 3.18Å
884	K	81.8	Confident	86.7	Confident	47 Å²	47	32 Å²	32	20%	0.204	17%	0.173	C	C	.	.			trans	-116.4	134	-179.8	-69.1	176.8	-176.2	162.6	0	110.5	E87 S89 Q882 S886 Q887 G888 T889 D890	E87-K884 PolarHBondContact O-NZ 3.09Å; S89-K884 VanDerWaalsContact OG-CE 3.31Å; S89-K884 WeakPolarHBondContact OG-CE 3.34Å; Q882-K884 PolarHBondContact O-N 3.26Å; K884-S886 VanDerWaalsContact C-N 3.32Å; K884-S886 PolarHBondContact O-N 3.15Å; K884-Q887 HydrophobicContact CB-CB 4.26Å; K884-Q887 HydrophobicContact CB-CG 4.32Å; K884-Q887 HydrophobicContact CD-CG 4.5Å; K884-Q887 PolarHBondContact O-N 3.03Å; K884-G888 PolarHBondContact O-N 2.82Å; K884-T889 PolarHBondContact N-OG1 3.12Å; K884-T889 PolarHBondContact O-N 3.31Å; K884-T889 VanDerWaalsContact O-N 3.1Å; K884-T889 PolarHBondContact O-OG1 2.88Å; K884-D890 PolarHBondContact O-N 3.4Å
885	K	84.3	Confident	86.5	Confident	148 Å²	148	32 Å²	32	64%	0.643	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-60.7	-41.4	174.5	-60.9	178.2	-169.9	170.9	0	112	Q887 G888 D890	K885-Q887 VanDerWaalsContact C-N 3.27Å; K885-Q887 PolarHBondContact O-N 3.1Å; K885-G888 PolarHBondContact O-N 3.09Å; K885-D890 WeakPolarHBondContact CA-OD1 3.25Å
886	S	83.3	Confident	86.3	Confident	112 Å²	112	32.3 Å²	32.3	78%	0.783	18%	0.175	S	C	*	.	G	3₁₀ helix	trans	-65.4	-27.8	-179	52.4	0	0	0	0	113.8	K884	K884-S886 VanDerWaalsContact C-N 3.32Å; K884-S886 PolarHBondContact O-N 3.15Å
887	Q	79.1	Confident	86	Confident	81 Å²	81	37.9 Å²	37.9	38%	0.379	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-98	2.3	179.4	-64.3	-179.2	-14	0	0	112.5	K884 K885 T889	K884-Q887 HydrophobicContact CB-CB 4.26Å; K884-Q887 HydrophobicContact CB-CG 4.32Å; K884-Q887 HydrophobicContact CD-CG 4.5Å; K884-Q887 PolarHBondContact O-N 3.03Å; K885-Q887 VanDerWaalsContact C-N 3.27Å; K885-Q887 PolarHBondContact O-N 3.1Å; Q887-T889 HydrophobicContact CB-CG2 4Å; Q887-T889 PolarHBondContact O-N 3.42Å; Q887-T889 VanDerWaalsContact O-N 3.12Å
888	G	81.9	Confident	85.5	Confident	21 Å²	21	39.8 Å²	39.8	22%	0.216	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	15.5	-173.9	0	0	0	0	0	114	K884 K885 R894	K884-G888 PolarHBondContact O-N 2.82Å; K885-G888 PolarHBondContact O-N 3.09Å; G888-R894 VanDerWaalsContact O-CG 3.27Å; G888-R894 WeakPolarHBondContact O-CG 3.26Å
889	T	83.8	Confident	85.1	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	22%	0.221	C	C	.	.			trans	-89.8	-9.2	-176.3	53.4	0	0	0	0	113.2	K86 M879 K884 Q887	K86-T889 HydrophobicContact CD-CG2 3.73Å; M879-T889 WeakPolarHBondContact CG-O 3.37Å; K884-T889 PolarHBondContact N-OG1 3.12Å; K884-T889 PolarHBondContact O-N 3.31Å; K884-T889 VanDerWaalsContact O-N 3.1Å; K884-T889 PolarHBondContact O-OG1 2.88Å; Q887-T889 HydrophobicContact CB-CG2 4Å; Q887-T889 PolarHBondContact O-N 3.42Å; Q887-T889 VanDerWaalsContact O-N 3.12Å
890	D	87.1	Confident	84.6	Confident	12 Å²	12	42.2 Å²	42.2	6%	0.064	25%	0.25	C	C	.	.	S	Bend	trans	-71.9	151.6	172.7	78.6	-70.3	0	0	0	111.8	K884 K885 H892 S893 R894 R903	K884-D890 PolarHBondContact O-N 3.4Å; K885-D890 WeakPolarHBondContact CA-OD1 3.25Å; D890-H892 PolarHBondContact O-N 3.1Å; D890-H892 VanDerWaalsContact O-N 3.15Å; D890-H892 PolarHBondContact OD2-N 2.99Å; D890-S893 PolarHBondContact O-N 3.3Å; D890-S893 WeakPolarHBondContact OD1-CB 3.44Å; D890-S893 PolarHBondContact OD1-OG 3.34Å; D890-R894 PolarHBondContact O-N 2.86Å; D890-R903 IonicContact OD2-CZ 3.75Å; D890-R903 IonicContact OD2-NE 2.79Å; D890-R903 PolarHBondContact OD2-NE 3.15Å; D890-R903 IonicContact OD2-NH2 2.8Å; D890-R903 PolarHBondContact OD2-NH2 3.32Å
891	L	85.5	Confident	84.3	Confident	10 Å²	10	42 Å²	42	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-50.1	-42.8	-177.6	-177.4	74	0	0	0	113.5	L856 F876 M879 T895 N910	L856-L891 HydrophobicContact CD2-CD2 3.59Å; F876-L891 HydrophobicContact CD2-CD1 3.83Å; F876-L891 HydrophobicContact CD2-CD2 4.33Å; F876-L891 HydrophobicContact CE2-CD1 4.03Å; F876-L891 HydrophobicContact CE2-CD2 3.68Å; F876-L891 HydrophobicContact CE2-CG 4.45Å; M879-L891 HydrophobicContact SD-CD1 4.1Å; L891-T895 PolarHBondContact O-N 2.87Å; L891-T895 VanDerWaalsContact O-N 3.1Å; L891-T895 PolarHBondContact O-OG1 3.49Å; L891-T895 VanDerWaalsContact O-OG1 3.09Å; L891-N910 HydrophobicContact CD2-CB 4.3Å; L891-N910 PolarHBondContact O-ND2 3.5Å
892	H	89.7	Confident	84.2	Confident	13 Å²	13	44 Å²	44	6%	0.06	26%	0.262	C	S	.	.	H	α-helix	trans	-73.3	-39	-175	-60.3	-59.2	0	0	0	112.2	D890 A896 R903 A906 K907 N910	D890-H892 PolarHBondContact O-N 3.1Å; D890-H892 VanDerWaalsContact O-N 3.15Å; D890-H892 PolarHBondContact OD2-N 2.99Å; H892-A896 VanDerWaalsContact O-CB 3.24Å; H892-A896 WeakPolarHBondContact O-CB 3.46Å; H892-A896 PolarHBondContact O-N 3.33Å; H892-R903 HydrophobicContact CB-CG 3.83Å; H892-A906 WeakPolarHBondContact O-CB 3.27Å; H892-K907 WeakPolarHBondContact ND1-CA 3.13Å; H892-N910 PolarHBondContact ND1-ND2 2.98Å; H892-N910 VanDerWaalsContact ND1-ND2 3.12Å
893	S	87.6	Confident	84.1	Confident	15 Å²	15	45.8 Å²	45.8	11%	0.105	27%	0.267	C	S	.	.	H	α-helix	trans	-67.4	-41.8	176.1	-54.8	0	0	0	0	111	D890 T895 A896 D897	D890-S893 PolarHBondContact O-N 3.3Å; D890-S893 WeakPolarHBondContact OD1-CB 3.44Å; D890-S893 PolarHBondContact OD1-OG 3.34Å; S893-T895 PolarHBondContact O-N 3.17Å; S893-A896 WeakPolarHBondContact O-CB 3.24Å; S893-A896 PolarHBondContact O-N 3.11Å; S893-A896 VanDerWaalsContact O-N 3.13Å; S893-D897 PolarHBondContact O-N 3.33Å
894	R	85.9	Confident	83.9	Confident	83 Å²	83	50.2 Å²	50.2	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-61.1	-42.7	175.3	-68.9	-152.5	71.6	171.7	1.7	113.5	H81 G888 D890 A896 A898	H81-R894 PolarHBondContact O-NH1 2.98Å; G888-R894 VanDerWaalsContact O-CG 3.27Å; G888-R894 WeakPolarHBondContact O-CG 3.26Å; D890-R894 PolarHBondContact O-N 2.86Å; R894-A896 VanDerWaalsContact C-N 3.34Å; R894-A898 WeakPolarHBondContact O-CB 3.38Å; R894-A898 PolarHBondContact O-N 3.26Å
895	T	86.2	Confident	83.9	Confident	5 Å²	5	51.3 Å²	51.3	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-66.4	-38.8	174.9	-58.4	0	0	0	0	111.4	L891 S893 V899 A906 N910 M945	L891-T895 PolarHBondContact O-N 2.87Å; L891-T895 VanDerWaalsContact O-N 3.1Å; L891-T895 PolarHBondContact O-OG1 3.49Å; L891-T895 VanDerWaalsContact O-OG1 3.09Å; S893-T895 PolarHBondContact O-N 3.17Å; T895-V899 VanDerWaalsContact O-CG2 3.31Å; T895-V899 WeakPolarHBondContact O-CG2 3.26Å; T895-V899 PolarHBondContact O-N 3.4Å; T895-A906 HydrophobicContact CG2-CB 4.2Å; T895-N910 WeakPolarHBondContact CG2-OD1 3.03Å; T895-N910 PolarHBondContact OG1-ND2 2.9Å; T895-N910 VanDerWaalsContact OG1-ND2 3.17Å; T895-N910 PolarHBondContact OG1-OD1 3.24Å; T895-M945 HydrophobicContact CG2-CG 4.43Å; T895-M945 HydrophobicContact CG2-SD 4.4Å
896	A	87.3	Confident	84	Confident	5 Å²	5	44.2 Å²	44.2	4%	0.041	26%	0.257	C	S	.	.	H	α-helix	trans	-60.7	-48.6	177.1	0	0	0	0	0	111.5	H892 S893 R894 V899 G900 I901 A906	H892-A896 VanDerWaalsContact O-CB 3.24Å; H892-A896 WeakPolarHBondContact O-CB 3.46Å; H892-A896 PolarHBondContact O-N 3.33Å; S893-A896 WeakPolarHBondContact O-CB 3.24Å; S893-A896 PolarHBondContact O-N 3.11Å; S893-A896 VanDerWaalsContact O-N 3.13Å; R894-A896 VanDerWaalsContact C-N 3.34Å; A896-V899 PolarHBondContact O-N 3.44Å; A896-G900 WeakPolarHBondContact O-CA 3.44Å; A896-G900 PolarHBondContact O-N 3.34Å; A896-I901 VanDerWaalsContact CB-O 3.26Å; A896-I901 WeakPolarHBondContact CB-O 3.48Å; A896-I901 PolarHBondContact O-N 3.3Å; A896-I901 VanDerWaalsContact O-N 3.08Å; A896-A906 HydrophobicContact CB-CB 3.82Å
897	D	85.6	Confident	84.1	Confident	120 Å²	120	43 Å²	43	64%	0.642	24%	0.237	S	C	*	.	H	α-helix	trans	-64.9	-42.1	179.9	-64.4	-19	0	0	0	111.7	S893 V899	S893-D897 PolarHBondContact O-N 3.33Å; D897-V899 PolarHBondContact O-N 3.31Å
898	A	80.3	Confident	84.2	Confident	41 Å²	41	42.8 Å²	42.8	34%	0.339	24%	0.241	S	C	.	.	H	α-helix	trans	-63.6	-26	-179.7	0	0	0	0	0	113.7	R894 L948	R894-A898 WeakPolarHBondContact O-CB 3.38Å; R894-A898 PolarHBondContact O-N 3.26Å; A898-L948 HydrophobicContact CB-CD1 4.2Å
899	V	81.5	Confident	84.2	Confident	6 Å²	6	42 Å²	42	4%	0.036	23%	0.232	C	C	.	.	H	α-helix	trans	-111.7	-19	-172.6	-175.7	0	0	0	0	111.8	T895 A896 D897 I901 L926 K941 M945	T895-V899 VanDerWaalsContact O-CG2 3.31Å; T895-V899 WeakPolarHBondContact O-CG2 3.26Å; T895-V899 PolarHBondContact O-N 3.4Å; A896-V899 PolarHBondContact O-N 3.44Å; D897-V899 PolarHBondContact O-N 3.31Å; V899-I901 HydrophobicContact CB-CD1 4.43Å; V899-I901 HydrophobicContact CB-CG1 4.22Å; V899-I901 HydrophobicContact CG1-CD1 4.33Å; V899-I901 HydrophobicContact CG1-CG1 4.39Å; V899-I901 HydrophobicContact CG1-CG2 3.98Å; V899-L926 HydrophobicContact CG1-CD1 4.49Å; V899-L926 HydrophobicContact CG1-CD2 3.59Å; V899-K941 PolarHBondContact O-NZ 3.42Å; V899-M945 HydrophobicContact CB-CE 4.38Å; V899-M945 HydrophobicContact CG1-CE 3.99Å; V899-M945 HydrophobicContact CG2-CB 3.93Å; V899-M945 HydrophobicContact CG2-CE 3.47Å; V899-M945 VanDerWaalsContact CG2-CE 3.47Å; V899-M945 HydrophobicContact CG2-CG 3.76Å; V899-M945 HydrophobicContact CG2-SD 4.34Å
900	G	79.9	Confident	84.3	Confident	61 Å²	61	41.9 Å²	41.9	63%	0.629	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	47.7	-173.9	0	0	0	0	0	112.2	A896	A896-G900 WeakPolarHBondContact O-CA 3.44Å; A896-G900 PolarHBondContact O-N 3.34Å
901	I	83.1	Confident	84	Confident	32 Å²	32	43.4 Å²	43.4	16%	0.164	24%	0.236	C	C	.	.			trans	-125	166.2	177.7	61	175.6	0	0	0	110.9	A896 V899 H905 A906 F909 L926	A896-I901 VanDerWaalsContact CB-O 3.26Å; A896-I901 WeakPolarHBondContact CB-O 3.48Å; A896-I901 PolarHBondContact O-N 3.3Å; A896-I901 VanDerWaalsContact O-N 3.08Å; V899-I901 HydrophobicContact CB-CD1 4.43Å; V899-I901 HydrophobicContact CB-CG1 4.22Å; V899-I901 HydrophobicContact CG1-CD1 4.33Å; V899-I901 HydrophobicContact CG1-CG1 4.39Å; V899-I901 HydrophobicContact CG1-CG2 3.98Å; I901-H905 HydrophobicContact CB-CB 4.4Å; I901-H905 HydrophobicContact CD1-CB 4.15Å; I901-A906 HydrophobicContact CD1-CB 3.99Å; I901-A906 HydrophobicContact CG1-CB 4.23Å; I901-F909 HydrophobicContact CD1-CD2 3.34Å; I901-F909 HydrophobicContact CD1-CE2 3.52Å; I901-F909 HydrophobicContact CD1-CG 4.41Å; I901-L926 HydrophobicContact CG2-CD2 4.2Å
902	S	84.1	Confident	83.6	Confident	57 Å²	57	43.6 Å²	43.6	40%	0.399	24%	0.24	S	C	.	.			trans	-66.7	152.8	173.7	75	0	0	0	0	111.7	E904 H905 A906	S902-E904 VanDerWaalsContact C-N 3.28Å; S902-E904 PolarHBondContact O-N 2.87Å; S902-H905 PolarHBondContact O-N 3.25Å; S902-H905 VanDerWaalsContact O-N 3.15Å; S902-H905 PolarHBondContact OG-N 3.11Å; S902-H905 PolarHBondContact OG-ND1 3.39Å; S902-A906 PolarHBondContact O-N 2.85Å
903	R	83.9	Confident	83.3	Confident	66 Å²	66	43.1 Å²	43.1	25%	0.249	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-38.4	177.3	-171.5	179.8	177.2	-74.9	-9.7	113.2	D890 H892 A906 K907	D890-R903 IonicContact OD2-CZ 3.75Å; D890-R903 IonicContact OD2-NE 2.79Å; D890-R903 PolarHBondContact OD2-NE 3.15Å; D890-R903 IonicContact OD2-NH2 2.8Å; D890-R903 PolarHBondContact OD2-NH2 3.32Å; H892-R903 HydrophobicContact CB-CG 3.83Å; R903-A906 WeakPolarHBondContact O-CB 3.34Å; R903-A906 PolarHBondContact O-N 3.04Å; R903-K907 PolarHBondContact O-N 3.23Å
904	E	79.4	Confident	82.9	Confident	116 Å²	116	42.6 Å²	42.6	54%	0.542	23%	0.234	S	C	.	.	H	α-helix	trans	-67.4	-39.1	177.9	-68	-55.7	126.3	0	0	111.8	S902 K907 V908	S902-E904 VanDerWaalsContact C-N 3.28Å; S902-E904 PolarHBondContact O-N 2.87Å; E904-K907 WeakPolarHBondContact O-CB 3.5Å; E904-K907 PolarHBondContact O-N 2.93Å; E904-V908 PolarHBondContact O-N 2.97Å
905	H	82.9	Confident	82.5	Confident	70 Å²	70	41 Å²	41	32%	0.324	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-42.1	171.4	-65.2	161.6	0	0	0	111.2	I901 S902 K907 V908 F909 F929	I901-H905 HydrophobicContact CB-CB 4.4Å; I901-H905 HydrophobicContact CD1-CB 4.15Å; S902-H905 PolarHBondContact O-N 3.25Å; S902-H905 VanDerWaalsContact O-N 3.15Å; S902-H905 PolarHBondContact OG-N 3.11Å; S902-H905 PolarHBondContact OG-ND1 3.39Å; H905-K907 PolarHBondContact O-N 3.4Å; H905-V908 WeakPolarHBondContact O-CB 3.5Å; H905-V908 PolarHBondContact O-N 3.45Å; H905-V908 VanDerWaalsContact O-N 3.11Å; H905-F909 VanDerWaalsContact O-CD2 3.27Å; H905-F909 WeakPolarHBondContact O-CD2 3.38Å; H905-F909 PolarHBondContact O-N 3.07Å; H905-F929 HydrophobicContact CB-CD2 3.85Å; H905-F929 HydrophobicContact CB-CE2 3.84Å; H905-F929 HydrophobicContact CB-CG 4.35Å; H905-F929 HydrophobicContact CB-CZ 4.37Å; H905-F929 AromaticContact CD2-CD1 3.86Å; H905-F929 AromaticContact CD2-CE1 3.9Å; H905-F929 AromaticContact CG-CD2 3.93Å; H905-F929 AromaticContact CG-CG 3.91Å; H905-F929 AromaticContact ND1-CG 3.98Å; H905-F929 AromaticContact NE2-CD1 3.94Å
906	A	85.3	Confident	81.7	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-31.9	175.8	0	0	0	0	0	112.8	H892 T895 A896 I901 S902 R903 F909 N910	H892-A906 WeakPolarHBondContact O-CB 3.27Å; T895-A906 HydrophobicContact CG2-CB 4.2Å; A896-A906 HydrophobicContact CB-CB 3.82Å; I901-A906 HydrophobicContact CD1-CB 3.99Å; I901-A906 HydrophobicContact CG1-CB 4.23Å; S902-A906 PolarHBondContact O-N 2.85Å; R903-A906 WeakPolarHBondContact O-CB 3.34Å; R903-A906 PolarHBondContact O-N 3.04Å; A906-F909 WeakPolarHBondContact O-CB 3.44Å; A906-F909 PolarHBondContact O-N 3.25Å; A906-N910 WeakPolarHBondContact O-CB 3.48Å; A906-N910 PolarHBondContact O-N 3.3Å
907	K	86	Confident	81.1	Confident	87 Å²	87	42 Å²	42	38%	0.378	24%	0.239	S	C	.	.	H	α-helix	trans	-59.4	-51.4	170.7	-170.5	176.7	-179.6	-178.4	0	110.9	H892 R903 E904 H905 F909 N910 Y911	H892-K907 WeakPolarHBondContact ND1-CA 3.13Å; R903-K907 PolarHBondContact O-N 3.23Å; E904-K907 WeakPolarHBondContact O-CB 3.5Å; E904-K907 PolarHBondContact O-N 2.93Å; H905-K907 PolarHBondContact O-N 3.4Å; K907-F909 VanDerWaalsContact C-N 3.26Å; K907-F909 PolarHBondContact O-N 3.26Å; K907-N910 PolarHBondContact O-N 3.16Å; K907-Y911 HydrophobicContact CD-CE2 4.43Å; K907-Y911 HydrophobicContact CG-CD2 3.9Å; K907-Y911 HydrophobicContact CG-CE2 3.79Å; K907-Y911 VanDerWaalsContact O-CD2 3.32Å; K907-Y911 WeakPolarHBondContact O-CD2 3.39Å; K907-Y911 PolarHBondContact O-N 3.26Å; K907-Y911 VanDerWaalsContact O-N 3.14Å
908	V	81.8	Confident	80.7	Confident	75 Å²	75	38 Å²	38	46%	0.455	23%	0.226	S	C	.	.	H	α-helix	trans	-57.8	-40.8	177.1	-175.5	0	0	0	0	111.3	E904 H905 G912 L925 F929	E904-V908 PolarHBondContact O-N 2.97Å; H905-V908 WeakPolarHBondContact O-CB 3.5Å; H905-V908 PolarHBondContact O-N 3.45Å; H905-V908 VanDerWaalsContact O-N 3.11Å; V908-G912 PolarHBondContact O-N 3.42Å; V908-L925 HydrophobicContact CG1-CD2 4.05Å; V908-F929 HydrophobicContact CB-CZ 4.15Å; V908-F929 HydrophobicContact CG1-CZ 4.18Å; V908-F929 HydrophobicContact CG2-CZ 4.48Å
909	F	81.2	Confident	80.7	Confident	5 Å²	5	39.3 Å²	39.3	2%	0.022	23%	0.225	C	C	.	.	H	α-helix	trans	-60.8	-52.1	175.1	-86.4	-74.1	0	0	0	113.4	I901 H905 A906 K907 Y911 G912 R913 A922 L925 L926 F929 M945	I901-F909 HydrophobicContact CD1-CD2 3.34Å; I901-F909 HydrophobicContact CD1-CE2 3.52Å; I901-F909 HydrophobicContact CD1-CG 4.41Å; H905-F909 VanDerWaalsContact O-CD2 3.27Å; H905-F909 WeakPolarHBondContact O-CD2 3.38Å; H905-F909 PolarHBondContact O-N 3.07Å; A906-F909 WeakPolarHBondContact O-CB 3.44Å; A906-F909 PolarHBondContact O-N 3.25Å; K907-F909 VanDerWaalsContact C-N 3.26Å; K907-F909 PolarHBondContact O-N 3.26Å; F909-Y911 VanDerWaalsContact C-N 3.35Å; F909-Y911 PolarHBondContact O-N 3.13Å; F909-G912 PolarHBondContact O-N 3.07Å; F909-R913 VanDerWaalsContact O-CB 3.25Å; F909-R913 WeakPolarHBondContact O-CB 3.38Å; F909-R913 PolarHBondContact O-N 2.96Å; F909-A922 HydrophobicContact CD1-CB 4.31Å; F909-A922 HydrophobicContact CE1-CB 3.9Å; F909-L925 HydrophobicContact CD1-CD2 3.97Å; F909-L925 HydrophobicContact CD2-CD2 4.39Å; F909-L925 HydrophobicContact CE1-CB 3.97Å; F909-L925 HydrophobicContact CE1-CD2 3.77Å; F909-L925 HydrophobicContact CE1-CG 4.13Å; F909-L925 HydrophobicContact CE2-CD2 4.23Å; F909-L925 HydrophobicContact CE2-CG 4.4Å; F909-L925 HydrophobicContact CG-CD2 4.25Å; F909-L925 HydrophobicContact CZ-CB 3.93Å; F909-L925 HydrophobicContact CZ-CD2 3.86Å; F909-L925 HydrophobicContact CZ-CG 3.87Å; F909-L926 HydrophobicContact CE1-CD2 4.11Å; F909-L926 HydrophobicContact CE1-CG 3.92Å; F909-L926 HydrophobicContact CE2-CD2 3.66Å; F909-L926 HydrophobicContact CE2-CG 4.29Å; F909-L926 HydrophobicContact CZ-CB 4.23Å; F909-L926 HydrophobicContact CZ-CD2 3.29Å; F909-L926 HydrophobicContact CZ-CG 3.41Å; F909-L926 VanDerWaalsContact CZ-CG 3.41Å; F909-F929 HydrophobicContact CD2-CD2 4.4Å; F909-F929 AromaticContact CD2-CE2 3.97Å; F909-F929 HydrophobicContact CD2-CE2 3.97Å; F909-F929 AromaticContact CE2-CD2 3.51Å; F909-F929 HydrophobicContact CE2-CD2 3.51Å; F909-F929 AromaticContact CE2-CE2 3.45Å; F909-F929 HydrophobicContact CE2-CE2 3.45Å; F909-F929 VanDerWaalsContact CE2-CE2 3.45Å; F909-F929 HydrophobicContact CZ-CD2 4.03Å; F909-F929 HydrophobicContact CZ-CE2 4.04Å; F909-M945 HydrophobicContact CD1-CE 3.84Å; F909-M945 HydrophobicContact CD1-SD 4.31Å; F909-M945 HydrophobicContact CE1-CE 4.04Å; F909-M945 HydrophobicContact CG-CE 4.23Å
910	N	85.4	Confident	80.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-44.4	-175.1	-75.9	-20.7	0	0	0	111.2	L891 H892 T895 A906 K907 R913 I914	L891-N910 HydrophobicContact CD2-CB 4.3Å; L891-N910 PolarHBondContact O-ND2 3.5Å; H892-N910 PolarHBondContact ND1-ND2 2.98Å; H892-N910 VanDerWaalsContact ND1-ND2 3.12Å; T895-N910 WeakPolarHBondContact CG2-OD1 3.03Å; T895-N910 PolarHBondContact OG1-ND2 2.9Å; T895-N910 VanDerWaalsContact OG1-ND2 3.17Å; T895-N910 PolarHBondContact OG1-OD1 3.24Å; A906-N910 WeakPolarHBondContact O-CB 3.48Å; A906-N910 PolarHBondContact O-N 3.3Å; K907-N910 PolarHBondContact O-N 3.16Å; N910-R913 PolarHBondContact O-N 3.18Å; N910-R913 PolarHBondContact OD1-NH2 3.37Å; N910-I914 VanDerWaalsContact O-CG1 3.26Å; N910-I914 WeakPolarHBondContact O-CG1 3.34Å; N910-I914 PolarHBondContact O-N 2.79Å
911	Y	81.3	Confident	80.5	Confident	45 Å²	45	44.6 Å²	44.6	18%	0.176	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-48.1	175.6	-81.4	-85.2	0	0	0	111.7	L856 K907 F909 R913 I914 Y915	L856-Y911 HydrophobicContact CD1-CE1 4.44Å; L856-Y911 HydrophobicContact CD1-CE2 4.02Å; L856-Y911 WeakPolarHBondContact CD1-OH 3.35Å; L856-Y911 HydrophobicContact CG-CE1 4.42Å; K907-Y911 HydrophobicContact CD-CE2 4.43Å; K907-Y911 HydrophobicContact CG-CD2 3.9Å; K907-Y911 HydrophobicContact CG-CE2 3.79Å; K907-Y911 VanDerWaalsContact O-CD2 3.32Å; K907-Y911 WeakPolarHBondContact O-CD2 3.39Å; K907-Y911 PolarHBondContact O-N 3.26Å; K907-Y911 VanDerWaalsContact O-N 3.14Å; F909-Y911 VanDerWaalsContact C-N 3.35Å; F909-Y911 PolarHBondContact O-N 3.13Å; Y911-R913 VanDerWaalsContact C-N 3.25Å; Y911-R913 PolarHBondContact O-N 3.04Å; Y911-I914 PolarHBondContact O-N 3.18Å; Y911-Y915 HydrophobicContact CD1-CE2 4.24Å; Y911-Y915 WeakPolarHBondContact O-CD2 3.48Å; Y911-Y915 WeakPolarHBondContact O-CE2 3.45Å; Y911-Y915 VanDerWaalsContact O-CG 3.29Å; Y911-Y915 PolarHBondContact O-N 2.89Å; Y911-Y915 VanDerWaalsContact O-N 3.16Å
912	G	78.4	Confident	80.5	Confident	14 Å²	14	43.1 Å²	43.1	14%	0.144	23%	0.231	C	C	.	.	H	α-helix	trans	-56.3	-41	176.9	0	0	0	0	0	112.8	V908 F909 Y915 A917	V908-G912 PolarHBondContact O-N 3.42Å; F909-G912 PolarHBondContact O-N 3.07Å; G912-Y915 PolarHBondContact O-N 3.15Å; G912-A917 WeakPolarHBondContact O-CB 3.33Å; G912-A917 PolarHBondContact O-N 3.06Å; G912-A917 VanDerWaalsContact O-N 3.09Å
913	R	82.1	Confident	80.5	Confident	3 Å²	3	41.5 Å²	41.5	1%	0.011	22%	0.217	C	C	.	.	H	α-helix	trans	-68.2	-44.8	-179.6	-176.4	163.9	61.6	76.9	7.6	112.9	F909 N910 Y911 Y915 G916 Y946 T949 E1014 F1018	F909-R913 VanDerWaalsContact O-CB 3.25Å; F909-R913 WeakPolarHBondContact O-CB 3.38Å; F909-R913 PolarHBondContact O-N 2.96Å; N910-R913 PolarHBondContact O-N 3.18Å; N910-R913 PolarHBondContact OD1-NH2 3.37Å; Y911-R913 VanDerWaalsContact C-N 3.25Å; Y911-R913 PolarHBondContact O-N 3.04Å; R913-Y915 PolarHBondContact O-N 3.12Å; R913-G916 PolarHBondContact O-N 3.1Å; R913-Y946 HydrophobicContact CG-CD1 4.4Å; R913-Y946 HydrophobicContact CG-CE1 3.74Å; R913-T949 PolarHBondContact NH1-OG1 3.32Å; R913-E1014 IonicContact CZ-OE1 3.82Å; R913-E1014 VanDerWaalsContact CZ-OE1 3.31Å; R913-E1014 IonicContact CZ-OE2 3.63Å; R913-E1014 IonicContact NH1-OE1 3.83Å; R913-E1014 PolarHBondContact NH1-OE1 3.1Å; R913-E1014 VanDerWaalsContact NH1-OE1 3.08Å; R913-E1014 IonicContact NH1-OE2 3.68Å; R913-E1014 PolarHBondContact NH1-OE2 2.97Å; R913-E1014 IonicContact NH2-OE1 2.93Å; R913-E1014 PolarHBondContact NH2-OE1 3.22Å; R913-E1014 IonicContact NH2-OE2 3.71Å; R913-E1014 PolarHBondContact NH2-OE2 3.06Å; R913-F1018 HydrophobicContact CG-CZ 4.26Å; R913-F1018 WeakPolarHBondContact O-CZ 3.38Å
914	I	80.4	Confident	80.2	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-61.3	-33.8	176.7	-68.9	167.2	0	0	0	110.8	L856 A859 F876 N910 Y911 G916 M1017 V1061	L856-I914 HydrophobicContact CD2-CD1 3.32Å; L856-I914 HydrophobicContact CG-CD1 4.43Å; A859-I914 HydrophobicContact CB-CG2 4.25Å; F876-I914 HydrophobicContact CE2-CD1 4.41Å; F876-I914 HydrophobicContact CZ-CD1 4.05Å; N910-I914 VanDerWaalsContact O-CG1 3.26Å; N910-I914 WeakPolarHBondContact O-CG1 3.34Å; N910-I914 PolarHBondContact O-N 2.79Å; Y911-I914 PolarHBondContact O-N 3.18Å; I914-G916 PolarHBondContact O-N 2.99Å; I914-G916 VanDerWaalsContact O-N 3.11Å; I914-M1017 HydrophobicContact CG1-CE 3.93Å; I914-M1017 HydrophobicContact CG2-CE 4.48Å; I914-V1061 HydrophobicContact CG2-CG2 4.48Å
915	Y	76.8	Confident	80.3	Confident	48 Å²	48	40.5 Å²	40.5	19%	0.188	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	10.3	173.1	-57.6	-40.6	0	0	0	114.6	E855 Y911 G912 R913 N1058 Q1062	E855-Y915 PolarHBondContact OE1-OH 3.23Å; E855-Y915 VanDerWaalsContact OE1-OH 3.1Å; E855-Y915 WeakPolarHBondContact OE2-CE1 3.19Å; E855-Y915 PolarHBondContact OE2-OH 3.23Å; Y911-Y915 HydrophobicContact CD1-CE2 4.24Å; Y911-Y915 WeakPolarHBondContact O-CD2 3.48Å; Y911-Y915 WeakPolarHBondContact O-CE2 3.45Å; Y911-Y915 VanDerWaalsContact O-CG 3.29Å; Y911-Y915 PolarHBondContact O-N 2.89Å; Y911-Y915 VanDerWaalsContact O-N 3.16Å; G912-Y915 PolarHBondContact O-N 3.15Å; R913-Y915 PolarHBondContact O-N 3.12Å; Y915-N1058 WeakPolarHBondContact CD1-OD1 3.46Å; Y915-Q1062 HydrophobicContact CD1-CG 4.36Å; Y915-Q1062 HydrophobicContact CE1-CG 3.89Å
916	G	68.8	Low	80.1	Confident	12 Å²	12	37.2 Å²	37.2	12%	0.124	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	20.7	175.2	0	0	0	0	0	114	R913 I914 T1054	R913-G916 PolarHBondContact O-N 3.1Å; I914-G916 PolarHBondContact O-N 2.99Å; I914-G916 VanDerWaalsContact O-N 3.11Å; G916-T1054 WeakPolarHBondContact O-CG2 3.17Å
917	A	75.4	Confident	79.8	Confident	21 Å²	21	38.6 Å²	38.6	17%	0.174	20%	0.201	C	C	.	.			trans	-59	140.4	166.8	0	0	0	0	0	110.3	G912 F921 Y946	G912-A917 WeakPolarHBondContact O-CB 3.33Å; G912-A917 PolarHBondContact O-N 3.06Å; G912-A917 VanDerWaalsContact O-N 3.09Å; A917-F921 HydrophobicContact CB-CB 4.07Å; A917-F921 HydrophobicContact CB-CD1 3.42Å; A917-F921 VanDerWaalsContact CB-CD1 3.42Å; A917-F921 HydrophobicContact CB-CE1 4.02Å; A917-F921 HydrophobicContact CB-CG 3.84Å; A917-Y946 PolarHBondContact O-OH 2.77Å
918	G	76.8	Confident	79.3	Confident	36 Å²	36	37.7 Å²	37.7	37%	0.371	20%	0.198	S	C	.	.			trans	-92.4	176	179.1	0	0	0	0	0	113	P920 F921 A922 Y946	G918-P920 VanDerWaalsContact C-CD 3.44Å; G918-F921 WeakPolarHBondContact O-CB 3.22Å; G918-F921 PolarHBondContact O-N 2.75Å; G918-F921 VanDerWaalsContact O-N 3.1Å; G918-A922 PolarHBondContact O-N 3.08Å; G918-Y946 VanDerWaalsContact C-OH 3.3Å; G918-Y946 PolarHBondContact O-OH 3.32Å; G918-Y946 VanDerWaalsContact O-OH 3.07Å
919	Q	80.2	Confident	79	Confident	68 Å²	68	36.4 Å²	36.4	32%	0.318	19%	0.187	S	C	.	.	H	α-helix	trans	-50.6	-44.7	175.1	-173.9	-166.1	-33.4	0	0	114	F921 A922 E923 A942 R943 Y946	Q919-F921 PolarHBondContact O-N 3.06Å; Q919-A922 PolarHBondContact O-N 3.21Å; Q919-E923 HydrophobicContact CG-CG 4.45Å; Q919-E923 WeakPolarHBondContact CG-OE1 3.23Å; Q919-E923 PolarHBondContact NE2-OE1 3.22Å; Q919-E923 WeakPolarHBondContact O-CG 3.36Å; Q919-E923 PolarHBondContact O-N 3.21Å; Q919-A942 HydrophobicContact CG-CB 3.96Å; Q919-R943 HydrophobicContact CG-CG 4.34Å; Q919-R943 VanDerWaalsContact NE2-CG 3.27Å; Q919-Y946 HydrophobicContact CB-CD2 4.25Å; Q919-Y946 HydrophobicContact CB-CE2 4.28Å
920	P	79.3	Confident	78.7	Confident	79 Å²	79	39 Å²	39	51%	0.513	20%	0.201	S	C	.	.	H	α-helix	trans	-63.3	-28.2	-179.2	-23.3	34.8	0	0	0	113.8	G918 R924	G918-P920 VanDerWaalsContact C-CD 3.44Å; P920-R924 VanDerWaalsContact O-CG 3.3Å; P920-R924 WeakPolarHBondContact O-CG 3.24Å; P920-R924 PolarHBondContact O-N 2.88Å
921	F	78.8	Confident	78	Confident	99 Å²	99	40.2 Å²	40.2	43%	0.434	21%	0.206	S	C	.	.	H	α-helix	trans	-70.4	-44.5	174.5	173.5	-94.2	0	0	0	110.6	A917 G918 Q919 E923 R924 L925	A917-F921 HydrophobicContact CB-CB 4.07Å; A917-F921 HydrophobicContact CB-CD1 3.42Å; A917-F921 VanDerWaalsContact CB-CD1 3.42Å; A917-F921 HydrophobicContact CB-CE1 4.02Å; A917-F921 HydrophobicContact CB-CG 3.84Å; G918-F921 WeakPolarHBondContact O-CB 3.22Å; G918-F921 PolarHBondContact O-N 2.75Å; G918-F921 VanDerWaalsContact O-N 3.1Å; Q919-F921 PolarHBondContact O-N 3.06Å; F921-E923 VanDerWaalsContact C-N 3.35Å; F921-E923 PolarHBondContact O-N 2.93Å; F921-R924 PolarHBondContact O-N 3.12Å; F921-L925 HydrophobicContact CE1-CD2 4.01Å; F921-L925 HydrophobicContact CZ-CD2 4.33Å; F921-L925 WeakPolarHBondContact O-CB 3.32Å; F921-L925 PolarHBondContact O-N 3.24Å
922	A	82	Confident	77.6	Confident	1 Å²	1	45 Å²	45	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-64.3	-39.9	178.2	0	0	0	0	0	112.1	F909 G918 Q919 R924 L925 L926 A942 Y946	F909-A922 HydrophobicContact CD1-CB 4.31Å; F909-A922 HydrophobicContact CE1-CB 3.9Å; G918-A922 PolarHBondContact O-N 3.08Å; Q919-A922 PolarHBondContact O-N 3.21Å; A922-R924 PolarHBondContact O-N 3.34Å; A922-L925 PolarHBondContact O-N 2.88Å; A922-L926 WeakPolarHBondContact O-CB 3.5Å; A922-L926 VanDerWaalsContact O-CG 3.27Å; A922-L926 WeakPolarHBondContact O-CG 3.45Å; A922-L926 PolarHBondContact O-N 3.44Å; A922-A942 HydrophobicContact CB-CB 4.12Å; A922-Y946 HydrophobicContact CB-CE2 3.59Å
923	E	83.9	Confident	77.3	Confident	23 Å²	23	45.2 Å²	45.2	11%	0.107	22%	0.222	C	C	.	.	H	α-helix	trans	-56.7	-50.8	174.2	-71.4	176	-159.5	0	0	111.7	Q919 F921 L925 L926 M927 Q935 A939 A942	Q919-E923 HydrophobicContact CG-CG 4.45Å; Q919-E923 WeakPolarHBondContact CG-OE1 3.23Å; Q919-E923 PolarHBondContact NE2-OE1 3.22Å; Q919-E923 WeakPolarHBondContact O-CG 3.36Å; Q919-E923 PolarHBondContact O-N 3.21Å; F921-E923 VanDerWaalsContact C-N 3.35Å; F921-E923 PolarHBondContact O-N 2.93Å; E923-L925 VanDerWaalsContact C-N 3.32Å; E923-L925 PolarHBondContact O-N 3.24Å; E923-L926 PolarHBondContact O-N 3.39Å; E923-M927 VanDerWaalsContact O-CG 3.29Å; E923-M927 WeakPolarHBondContact O-CG 3.31Å; E923-M927 PolarHBondContact O-N 3.38Å; E923-Q935 PolarHBondContact OE2-NE2 2.87Å; E923-A939 HydrophobicContact CG-CB 4.17Å; E923-A939 WeakPolarHBondContact OE1-CA 3.48Å; E923-A939 WeakPolarHBondContact OE1-CB 3.13Å; E923-A942 HydrophobicContact CG-CB 3.79Å
924	R	78.3	Confident	77	Confident	145 Å²	145	47.3 Å²	47.3	55%	0.547	23%	0.233	S	C	.	.	H	α-helix	trans	-60.5	-43.2	177.9	-71.1	174.5	-170.3	178.8	4.9	111.7	P920 F921 A922 M927 Q928	P920-R924 VanDerWaalsContact O-CG 3.3Å; P920-R924 WeakPolarHBondContact O-CG 3.24Å; P920-R924 PolarHBondContact O-N 2.88Å; F921-R924 PolarHBondContact O-N 3.12Å; A922-R924 PolarHBondContact O-N 3.34Å; R924-M927 PolarHBondContact O-N 3.13Å; R924-Q928 VanDerWaalsContact O-CG 3.28Å; R924-Q928 WeakPolarHBondContact O-CG 3.45Å; R924-Q928 PolarHBondContact O-N 3.14Å
925	L	80.7	Confident	76.9	Confident	15 Å²	15	51.6 Å²	51.6	8%	0.079	25%	0.253	C	S	.	.	H	α-helix	trans	-68.2	-39.1	-178.9	-169.1	66	0	0	0	111.7	V908 F909 F921 A922 E923 M927 Q928 F929	V908-L925 HydrophobicContact CG1-CD2 4.05Å; F909-L925 HydrophobicContact CD1-CD2 3.97Å; F909-L925 HydrophobicContact CD2-CD2 4.39Å; F909-L925 HydrophobicContact CE1-CB 3.97Å; F909-L925 HydrophobicContact CE1-CD2 3.77Å; F909-L925 HydrophobicContact CE1-CG 4.13Å; F909-L925 HydrophobicContact CE2-CD2 4.23Å; F909-L925 HydrophobicContact CE2-CG 4.4Å; F909-L925 HydrophobicContact CG-CD2 4.25Å; F909-L925 HydrophobicContact CZ-CB 3.93Å; F909-L925 HydrophobicContact CZ-CD2 3.86Å; F909-L925 HydrophobicContact CZ-CG 3.87Å; F921-L925 HydrophobicContact CE1-CD2 4.01Å; F921-L925 HydrophobicContact CZ-CD2 4.33Å; F921-L925 WeakPolarHBondContact O-CB 3.32Å; F921-L925 PolarHBondContact O-N 3.24Å; A922-L925 PolarHBondContact O-N 2.88Å; E923-L925 VanDerWaalsContact C-N 3.32Å; E923-L925 PolarHBondContact O-N 3.24Å; L925-M927 VanDerWaalsContact C-N 3.33Å; L925-M927 PolarHBondContact O-N 3.35Å; L925-Q928 WeakPolarHBondContact O-CB 3.4Å; L925-Q928 PolarHBondContact O-N 3.11Å; L925-F929 HydrophobicContact CD1-CE1 4.06Å; L925-F929 HydrophobicContact CD1-CE2 3.87Å; L925-F929 HydrophobicContact CD1-CZ 3.57Å; L925-F929 HydrophobicContact CD2-CE2 3.75Å; L925-F929 HydrophobicContact CD2-CZ 4.02Å; L925-F929 HydrophobicContact CG-CD2 4.03Å; L925-F929 HydrophobicContact CG-CE2 3.43Å; L925-F929 VanDerWaalsContact CG-CE2 3.43Å; L925-F929 HydrophobicContact CG-CZ 3.7Å; L925-F929 WeakPolarHBondContact O-CD2 3.18Å; L925-F929 WeakPolarHBondContact O-CG 3.46Å; L925-F929 PolarHBondContact O-N 3.19Å
926	L	79.5	Confident	77.1	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-44.3	174.5	-76.6	173.5	0	0	0	111	V899 I901 F909 A922 E923 Q928 F929 N930 L933 A938 K941 A942	V899-L926 HydrophobicContact CG1-CD1 4.49Å; V899-L926 HydrophobicContact CG1-CD2 3.59Å; I901-L926 HydrophobicContact CG2-CD2 4.2Å; F909-L926 HydrophobicContact CE1-CD2 4.11Å; F909-L926 HydrophobicContact CE1-CG 3.92Å; F909-L926 HydrophobicContact CE2-CD2 3.66Å; F909-L926 HydrophobicContact CE2-CG 4.29Å; F909-L926 HydrophobicContact CZ-CB 4.23Å; F909-L926 HydrophobicContact CZ-CD2 3.29Å; F909-L926 HydrophobicContact CZ-CG 3.41Å; F909-L926 VanDerWaalsContact CZ-CG 3.41Å; A922-L926 WeakPolarHBondContact O-CB 3.5Å; A922-L926 VanDerWaalsContact O-CG 3.27Å; A922-L926 WeakPolarHBondContact O-CG 3.45Å; A922-L926 PolarHBondContact O-N 3.44Å; E923-L926 PolarHBondContact O-N 3.39Å; L926-Q928 VanDerWaalsContact C-N 3.31Å; L926-Q928 PolarHBondContact O-N 3.33Å; L926-F929 PolarHBondContact O-N 3.27Å; L926-N930 PolarHBondContact O-N 3.13Å; L926-L933 HydrophobicContact CB-CD1 4.26Å; L926-A938 HydrophobicContact CB-CB 4.38Å; L926-K941 HydrophobicContact CD1-CB 4.06Å; L926-A942 HydrophobicContact CD1-CB 4.23Å
927	M	78.3	Confident	77.8	Confident	29 Å²	29	57.8 Å²	57.8	14%	0.143	29%	0.288	C	S	.	.	H	α-helix	trans	-68.8	-28.4	177.4	-66.8	173.3	73.1	0	0	113	E923 R924 L925 N930 H931 Q935 A938	E923-M927 VanDerWaalsContact O-CG 3.29Å; E923-M927 WeakPolarHBondContact O-CG 3.31Å; E923-M927 PolarHBondContact O-N 3.38Å; R924-M927 PolarHBondContact O-N 3.13Å; L925-M927 VanDerWaalsContact C-N 3.33Å; L925-M927 PolarHBondContact O-N 3.35Å; M927-N930 WeakPolarHBondContact CA-O 3.41Å; M927-N930 CarbonylContact O-C 3.59Å; M927-N930 VanDerWaalsContact O-C 3.28Å; M927-H931 WeakPolarHBondContact O-CA 3.41Å; M927-H931 PolarHBondContact O-N 2.87Å; M927-Q935 HydrophobicContact CE-CB 4.47Å; M927-Q935 HydrophobicContact SD-CB 4.46Å; M927-Q935 PolarHBondContact SD-OE1 3.28Å; M927-A938 HydrophobicContact CG-CB 3.74Å; M927-A938 HydrophobicContact SD-CB 4.24Å
928	Q	76.1	Confident	78.1	Confident	68 Å²	68	56.8 Å²	56.8	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-71	-45.5	173.5	-75.9	172.4	4	0	0	111.6	K715 K733 R924 L925 L926	K715-Q928 PolarHBondContact O-NE2 3.06Å; K733-Q928 WeakPolarHBondContact CE-O 3.38Å; K733-Q928 PolarHBondContact NZ-O 3.3Å; R924-Q928 VanDerWaalsContact O-CG 3.28Å; R924-Q928 WeakPolarHBondContact O-CG 3.45Å; R924-Q928 PolarHBondContact O-N 3.14Å; L925-Q928 WeakPolarHBondContact O-CB 3.4Å; L925-Q928 PolarHBondContact O-N 3.11Å; L926-Q928 VanDerWaalsContact C-N 3.31Å; L926-Q928 PolarHBondContact O-N 3.33Å
929	F	74.8	Confident	78.6	Confident	48 Å²	48	55.9 Å²	55.9	21%	0.211	27%	0.268	C	S	.	.	H	α-helix	trans	-67.7	-43.1	177.5	-64.1	-34.3	0	0	0	111.4	K733 H905 V908 F909 L925 L926	K733-F929 PolarHBondContact NZ-O 2.86Å; H905-F929 HydrophobicContact CB-CD2 3.85Å; H905-F929 HydrophobicContact CB-CE2 3.84Å; H905-F929 HydrophobicContact CB-CG 4.35Å; H905-F929 HydrophobicContact CB-CZ 4.37Å; H905-F929 AromaticContact CD2-CD1 3.86Å; H905-F929 AromaticContact CD2-CE1 3.9Å; H905-F929 AromaticContact CG-CD2 3.93Å; H905-F929 AromaticContact CG-CG 3.91Å; H905-F929 AromaticContact ND1-CG 3.98Å; H905-F929 AromaticContact NE2-CD1 3.94Å; V908-F929 HydrophobicContact CB-CZ 4.15Å; V908-F929 HydrophobicContact CG1-CZ 4.18Å; V908-F929 HydrophobicContact CG2-CZ 4.48Å; F909-F929 HydrophobicContact CD2-CD2 4.4Å; F909-F929 AromaticContact CD2-CE2 3.97Å; F909-F929 HydrophobicContact CD2-CE2 3.97Å; F909-F929 AromaticContact CE2-CD2 3.51Å; F909-F929 HydrophobicContact CE2-CD2 3.51Å; F909-F929 AromaticContact CE2-CE2 3.45Å; F909-F929 HydrophobicContact CE2-CE2 3.45Å; F909-F929 VanDerWaalsContact CE2-CE2 3.45Å; F909-F929 HydrophobicContact CZ-CD2 4.03Å; F909-F929 HydrophobicContact CZ-CE2 4.04Å; L925-F929 HydrophobicContact CD1-CE1 4.06Å; L925-F929 HydrophobicContact CD1-CE2 3.87Å; L925-F929 HydrophobicContact CD1-CZ 3.57Å; L925-F929 HydrophobicContact CD2-CE2 3.75Å; L925-F929 HydrophobicContact CD2-CZ 4.02Å; L925-F929 HydrophobicContact CG-CD2 4.03Å; L925-F929 HydrophobicContact CG-CE2 3.43Å; L925-F929 VanDerWaalsContact CG-CE2 3.43Å; L925-F929 HydrophobicContact CG-CZ 3.7Å; L925-F929 WeakPolarHBondContact O-CD2 3.18Å; L925-F929 WeakPolarHBondContact O-CG 3.46Å; L925-F929 PolarHBondContact O-N 3.19Å; L926-F929 PolarHBondContact O-N 3.27Å
930	N	75	Confident	78.9	Confident	59 Å²	59	55.4 Å²	55.4	32%	0.316	27%	0.273	S	S	.	.			trans	-125.2	98.7	178.1	-172.5	-9.3	0	0	0	110.4	L926 M927 R932 L933	L926-N930 PolarHBondContact O-N 3.13Å; M927-N930 WeakPolarHBondContact CA-O 3.41Å; M927-N930 CarbonylContact O-C 3.59Å; M927-N930 VanDerWaalsContact O-C 3.28Å; N930-R932 PolarHBondContact O-N 2.9Å; N930-R932 VanDerWaalsContact OD1-CB 3.31Å; N930-R932 WeakPolarHBondContact OD1-CB 3.45Å; N930-R932 PolarHBondContact OD1-N 2.94Å; N930-L933 HydrophobicContact CB-CD1 3.85Å; N930-L933 HydrophobicContact CB-CG 3.99Å; N930-L933 PolarHBondContact O-N 3.41Å
931	H	71.9	Confident	79.2	Confident	26 Å²	26	54.8 Å²	54.8	12%	0.12	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-8.3	-179.9	58.1	-82.2	0	0	0	113.7	W574 D575 T738 M927	W574-H931 HydrophobicContact CZ2-CB 4.35Å; W574-H931 AromaticContact NE1-CD2 3.54Å; W574-H931 AromaticContact NE1-NE2 3.76Å; D575-H931 IonicContact OD1-CE1 3.45Å; D575-H931 IonicContact OD1-NE2 3.71Å; D575-H931 IonicContact OD2-CD2 3.23Å; D575-H931 IonicContact OD2-CE1 3.55Å; D575-H931 IonicContact OD2-NE2 3.13Å; D575-H931 PolarHBondContact OD2-NE2 3.31Å; T738-H931 WeakPolarHBondContact CG2-CE1 3.29Å; M927-H931 WeakPolarHBondContact O-CA 3.41Å; M927-H931 PolarHBondContact O-N 2.87Å
932	R	71.6	Confident	79.6	Confident	145 Å²	145	50 Å²	50	55%	0.547	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-13.8	176.2	-54	-179.9	179.1	171	2.8	112.8	D575 N930	D575-R932 IonicContact OD1-NH2 3.07Å; D575-R932 IonicContact OD2-CZ 2.71Å; D575-R932 IonicContact OD2-NE 3.25Å; D575-R932 PolarHBondContact OD2-NE 3.28Å; D575-R932 IonicContact OD2-NH2 3.58Å; D575-R932 PolarHBondContact OD2-NH2 2.89Å; N930-R932 PolarHBondContact O-N 2.9Å; N930-R932 VanDerWaalsContact OD1-CB 3.31Å; N930-R932 WeakPolarHBondContact OD1-CB 3.45Å; N930-R932 PolarHBondContact OD1-N 2.94Å
933	L	72.9	Confident	79.8	Confident	18 Å²	18	54.5 Å²	54.5	9%	0.094	26%	0.258	C	S	.	.	S	Bend	trans	-75.5	128.8	177.4	-69.3	174.3	0	0	0	110.8	L926 N930 E937 K941	L926-L933 HydrophobicContact CB-CD1 4.26Å; N930-L933 HydrophobicContact CB-CD1 3.85Å; N930-L933 HydrophobicContact CB-CG 3.99Å; N930-L933 PolarHBondContact O-N 3.41Å; L933-E937 HydrophobicContact CD2-CB 4.49Å; L933-K941 HydrophobicContact CD2-CD 4.43Å
934	N	75.7	Confident	79.8	Confident	48 Å²	48	56.4 Å²	56.4	26%	0.257	27%	0.267	S	S	.	.			trans	-71.6	156.6	171.5	-69.6	-32.5	0	0	0	111	H694 T936 E937 A938	H694-N934 PolarHBondContact CD2-ND2 3.19Å; N934-T936 PolarHBondContact O-N 3.35Å; N934-E937 HydrophobicContact CB-CB 4.41Å; N934-E937 HydrophobicContact CB-CG 4.22Å; N934-E937 PolarHBondContact N-OE2 3.35Å; N934-E937 PolarHBondContact ND2-OE1 3.03Å; N934-E937 PolarHBondContact O-N 3.47Å; N934-A938 WeakPolarHBondContact O-CB 3.44Å; N934-A938 PolarHBondContact O-N 3.36Å
935	Q	77.8	Confident	80.1	Confident	94 Å²	94	49.7 Å²	49.7	44%	0.439	24%	0.241	S	C	.	.	H	α-helix	trans	-56.6	-38.3	177.1	-174.4	72.9	45.5	0	0	111.9	E923 M927 A939	E923-Q935 PolarHBondContact OE2-NE2 2.87Å; M927-Q935 HydrophobicContact CE-CB 4.47Å; M927-Q935 HydrophobicContact SD-CB 4.46Å; M927-Q935 PolarHBondContact SD-OE1 3.28Å; Q935-A939 WeakPolarHBondContact O-CB 3.35Å; Q935-A939 PolarHBondContact O-N 2.83Å
936	T	82.1	Confident	80.4	Confident	105 Å²	105	50.1 Å²	50.1	64%	0.644	24%	0.242	S	C	*	.	H	α-helix	trans	-67.8	-42.7	179	47.7	0	0	0	0	112.3	N934 A939 S940	N934-T936 PolarHBondContact O-N 3.35Å; T936-A939 PolarHBondContact O-N 3.08Å; T936-S940 WeakPolarHBondContact O-CB 3.36Å; T936-S940 PolarHBondContact O-N 3.15Å
937	E	82.2	Confident	80.7	Confident	85 Å²	85	51.5 Å²	51.5	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-67.9	-44.2	176	-68.5	169.3	-168.3	0	0	111.3	L933 N934 A939 S940 K941	L933-E937 HydrophobicContact CD2-CB 4.49Å; N934-E937 HydrophobicContact CB-CB 4.41Å; N934-E937 HydrophobicContact CB-CG 4.22Å; N934-E937 PolarHBondContact N-OE2 3.35Å; N934-E937 PolarHBondContact ND2-OE1 3.03Å; N934-E937 PolarHBondContact O-N 3.47Å; E937-A939 VanDerWaalsContact C-N 3.31Å; E937-A939 PolarHBondContact O-N 2.92Å; E937-S940 PolarHBondContact O-N 3.04Å; E937-K941 WeakPolarHBondContact O-CB 3.24Å; E937-K941 WeakPolarHBondContact O-CG 3.26Å; E937-K941 PolarHBondContact O-N 3.1Å
938	A	83.4	Confident	81	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.4	-41.7	174.6	0	0	0	0	0	111.1	L926 M927 N934 A942	L926-A938 HydrophobicContact CB-CB 4.38Å; M927-A938 HydrophobicContact CG-CB 3.74Å; M927-A938 HydrophobicContact SD-CB 4.24Å; N934-A938 WeakPolarHBondContact O-CB 3.44Å; N934-A938 PolarHBondContact O-N 3.36Å; A938-A942 WeakPolarHBondContact O-CB 3.35Å; A938-A942 PolarHBondContact O-N 3.11Å
939	A	85.8	Confident	81.5	Confident	16 Å²	16	49.9 Å²	49.9	13%	0.132	25%	0.248	C	C	.	.	H	α-helix	trans	-65.7	-39.3	174.3	0	0	0	0	0	112.6	E923 Q935 T936 E937 R943	E923-A939 HydrophobicContact CG-CB 4.17Å; E923-A939 WeakPolarHBondContact OE1-CA 3.48Å; E923-A939 WeakPolarHBondContact OE1-CB 3.13Å; Q935-A939 WeakPolarHBondContact O-CB 3.35Å; Q935-A939 PolarHBondContact O-N 2.83Å; T936-A939 PolarHBondContact O-N 3.08Å; E937-A939 VanDerWaalsContact C-N 3.31Å; E937-A939 PolarHBondContact O-N 2.92Å; A939-R943 WeakPolarHBondContact O-CB 3.24Å; A939-R943 WeakPolarHBondContact O-CG 3.31Å; A939-R943 PolarHBondContact O-N 2.57Å; A939-R943 PolarHBondContact O-NE 3.44Å
940	S	87.1	Confident	82	Confident	59 Å²	59	49 Å²	49	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-52.8	174.8	-166.6	0	0	0	0	111.3	T936 E937 A942 R943 Q944	T936-S940 WeakPolarHBondContact O-CB 3.36Å; T936-S940 PolarHBondContact O-N 3.15Å; E937-S940 PolarHBondContact O-N 3.04Å; S940-A942 VanDerWaalsContact C-N 3.34Å; S940-A942 PolarHBondContact O-N 3.33Å; S940-R943 PolarHBondContact O-N 2.84Å; S940-Q944 WeakPolarHBondContact O-CB 3.39Å; S940-Q944 PolarHBondContact O-N 3.3Å
941	K	85.9	Confident	82.6	Confident	65 Å²	65	46.5 Å²	46.5	28%	0.283	23%	0.233	S	C	.	.	H	α-helix	trans	-60.4	-41.4	177.6	-72.9	-171	172.6	-157.4	0	112.5	V899 L926 L933 E937 M945	V899-K941 PolarHBondContact O-NZ 3.42Å; L926-K941 HydrophobicContact CD1-CB 4.06Å; L933-K941 HydrophobicContact CD2-CD 4.43Å; E937-K941 WeakPolarHBondContact O-CB 3.24Å; E937-K941 WeakPolarHBondContact O-CG 3.26Å; E937-K941 PolarHBondContact O-N 3.1Å; K941-M945 VanDerWaalsContact O-CB 3.31Å; K941-M945 WeakPolarHBondContact O-CB 3.49Å; K941-M945 PolarHBondContact O-N 3.42Å
942	A	86.7	Confident	83.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-48.9	175.5	0	0	0	0	0	110.9	Q919 A922 E923 L926 A938 S940 Q944 M945 Y946	Q919-A942 HydrophobicContact CG-CB 3.96Å; A922-A942 HydrophobicContact CB-CB 4.12Å; E923-A942 HydrophobicContact CG-CB 3.79Å; L926-A942 HydrophobicContact CD1-CB 4.23Å; A938-A942 WeakPolarHBondContact O-CB 3.35Å; A938-A942 PolarHBondContact O-N 3.11Å; S940-A942 VanDerWaalsContact C-N 3.34Å; S940-A942 PolarHBondContact O-N 3.33Å; A942-Q944 PolarHBondContact O-N 3.46Å; A942-M945 WeakPolarHBondContact O-CB 3.48Å; A942-M945 PolarHBondContact O-N 2.77Å; A942-Y946 VanDerWaalsContact O-CD2 3.23Å; A942-Y946 WeakPolarHBondContact O-CD2 3.39Å; A942-Y946 PolarHBondContact O-N 3.1Å
943	R	86.5	Confident	84	Confident	94 Å²	94	44.2 Å²	44.2	36%	0.355	23%	0.23	S	C	.	.	H	α-helix	trans	-57.6	-48.5	177.1	-79.1	-175.3	-68.9	159.5	0.5	112.1	Q919 A939 S940 M945 Y946 A947	Q919-R943 HydrophobicContact CG-CG 4.34Å; Q919-R943 VanDerWaalsContact NE2-CG 3.27Å; A939-R943 WeakPolarHBondContact O-CB 3.24Å; A939-R943 WeakPolarHBondContact O-CG 3.31Å; A939-R943 PolarHBondContact O-N 2.57Å; A939-R943 PolarHBondContact O-NE 3.44Å; S940-R943 PolarHBondContact O-N 2.84Å; R943-M945 VanDerWaalsContact C-N 3.32Å; R943-M945 PolarHBondContact O-N 2.78Å; R943-Y946 PolarHBondContact O-N 2.93Å; R943-A947 WeakPolarHBondContact O-CB 3.27Å; R943-A947 PolarHBondContact O-N 2.85Å
944	Q	83.6	Confident	84.6	Confident	63 Å²	63	45.2 Å²	45.2	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-57.4	-46	177.9	-171.9	-178	11.4	0	0	111.3	W647 S940 A942 A947 L948	W647-Q944 HydrophobicContact CZ3-CG 4.26Å; S940-Q944 WeakPolarHBondContact O-CB 3.39Å; S940-Q944 PolarHBondContact O-N 3.3Å; A942-Q944 PolarHBondContact O-N 3.46Å; Q944-A947 PolarHBondContact O-N 3.46Å; Q944-L948 HydrophobicContact CG-CD1 4.25Å; Q944-L948 WeakPolarHBondContact O-CB 3.27Å; Q944-L948 WeakPolarHBondContact O-CG 3.11Å; Q944-L948 PolarHBondContact O-N 2.99Å
945	M	84.4	Confident	85.1	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.02	23%	0.226	C	C	.	.	H	α-helix	trans	-61.3	-46.6	177	-172.6	-149.1	-60.2	0	0	112.3	T895 V899 F909 K941 A942 R943 L948 T949	T895-M945 HydrophobicContact CG2-CG 4.43Å; T895-M945 HydrophobicContact CG2-SD 4.4Å; V899-M945 HydrophobicContact CB-CE 4.38Å; V899-M945 HydrophobicContact CG1-CE 3.99Å; V899-M945 HydrophobicContact CG2-CB 3.93Å; V899-M945 HydrophobicContact CG2-CE 3.47Å; V899-M945 VanDerWaalsContact CG2-CE 3.47Å; V899-M945 HydrophobicContact CG2-CG 3.76Å; V899-M945 HydrophobicContact CG2-SD 4.34Å; F909-M945 HydrophobicContact CD1-CE 3.84Å; F909-M945 HydrophobicContact CD1-SD 4.31Å; F909-M945 HydrophobicContact CE1-CE 4.04Å; F909-M945 HydrophobicContact CG-CE 4.23Å; K941-M945 VanDerWaalsContact O-CB 3.31Å; K941-M945 WeakPolarHBondContact O-CB 3.49Å; K941-M945 PolarHBondContact O-N 3.42Å; A942-M945 WeakPolarHBondContact O-CB 3.48Å; A942-M945 PolarHBondContact O-N 2.77Å; R943-M945 VanDerWaalsContact C-N 3.32Å; R943-M945 PolarHBondContact O-N 2.78Å; M945-L948 PolarHBondContact O-N 3.45Å; M945-T949 WeakPolarHBondContact O-CB 3.32Å; M945-T949 WeakPolarHBondContact O-CG2 3.47Å; M945-T949 PolarHBondContact O-N 2.92Å; M945-T949 VanDerWaalsContact O-N 3.08Å; M945-T949 PolarHBondContact O-OG1 3.39Å
946	Y	86.4	Confident	85.4	Confident	24 Å²	24	42.1 Å²	42.1	9%	0.094	22%	0.216	C	C	.	.	H	α-helix	trans	-66.9	-37.8	178.3	-84.1	-80.5	0	0	0	112.1	R913 A917 G918 Q919 A922 A942 R943 T949 K950 G951	R913-Y946 HydrophobicContact CG-CD1 4.4Å; R913-Y946 HydrophobicContact CG-CE1 3.74Å; A917-Y946 PolarHBondContact O-OH 2.77Å; G918-Y946 VanDerWaalsContact C-OH 3.3Å; G918-Y946 PolarHBondContact O-OH 3.32Å; G918-Y946 VanDerWaalsContact O-OH 3.07Å; Q919-Y946 HydrophobicContact CB-CD2 4.25Å; Q919-Y946 HydrophobicContact CB-CE2 4.28Å; A922-Y946 HydrophobicContact CB-CE2 3.59Å; A942-Y946 VanDerWaalsContact O-CD2 3.23Å; A942-Y946 WeakPolarHBondContact O-CD2 3.39Å; A942-Y946 PolarHBondContact O-N 3.1Å; R943-Y946 PolarHBondContact O-N 2.93Å; Y946-T949 PolarHBondContact O-N 2.86Å; Y946-K950 HydrophobicContact CD1-CB 4.25Å; Y946-K950 HydrophobicContact CD1-CD 4.26Å; Y946-K950 WeakPolarHBondContact O-CA 3.33Å; Y946-K950 VanDerWaalsContact O-CB 3.28Å; Y946-K950 WeakPolarHBondContact O-CB 3.25Å; Y946-K950 PolarHBondContact O-N 3.01Å; Y946-G951 PolarHBondContact O-N 2.76Å; Y946-G951 VanDerWaalsContact O-N 3.07Å
947	A	85.8	Confident	85.5	Confident	31 Å²	31	37.8 Å²	37.8	26%	0.256	19%	0.188	S	C	.	.	H	α-helix	trans	-64	-45.6	176.3	0	0	0	0	0	111.7	R943 Q944 T949 G951	R943-A947 WeakPolarHBondContact O-CB 3.27Å; R943-A947 PolarHBondContact O-N 2.85Å; Q944-A947 PolarHBondContact O-N 3.46Å; A947-T949 VanDerWaalsContact C-N 3.31Å; A947-T949 PolarHBondContact O-N 3.2Å; A947-G951 WeakPolarHBondContact O-CA 3.49Å; A947-G951 PolarHBondContact O-N 2.97Å
948	L	85.1	Confident	85.7	Confident	51 Å²	51	34.4 Å²	34.4	27%	0.267	17%	0.174	S	C	.	.	H	α-helix	trans	-64	-35.9	177.6	-73.4	170.2	0	0	0	112.8	W647 A898 Q944 M945 G1012 T1013	W647-L948 HydrophobicContact CH2-CD1 4.08Å; W647-L948 HydrophobicContact CH2-CD2 4.45Å; W647-L948 HydrophobicContact CZ3-CD1 4.21Å; W647-L948 HydrophobicContact CZ3-CD2 4.42Å; A898-L948 HydrophobicContact CB-CD1 4.2Å; Q944-L948 HydrophobicContact CG-CD1 4.25Å; Q944-L948 WeakPolarHBondContact O-CB 3.27Å; Q944-L948 WeakPolarHBondContact O-CG 3.11Å; Q944-L948 PolarHBondContact O-N 2.99Å; M945-L948 PolarHBondContact O-N 3.45Å; L948-G1012 WeakPolarHBondContact O-CA 3.41Å; L948-T1013 PolarHBondContact O-N 2.92Å; L948-T1013 VanDerWaalsContact O-N 3.15Å
949	T	86.5	Confident	85.6	Confident	13 Å²	13	43 Å²	43	8%	0.08	21%	0.214	C	C	.	.	H	α-helix	trans	-100.2	-61.9	-171	60	0	0	0	0	113.2	R913 M945 Y946 A947 G1012 T1013 E1014	R913-T949 PolarHBondContact NH1-OG1 3.32Å; M945-T949 WeakPolarHBondContact O-CB 3.32Å; M945-T949 WeakPolarHBondContact O-CG2 3.47Å; M945-T949 PolarHBondContact O-N 2.92Å; M945-T949 VanDerWaalsContact O-N 3.08Å; M945-T949 PolarHBondContact O-OG1 3.39Å; Y946-T949 PolarHBondContact O-N 2.86Å; A947-T949 VanDerWaalsContact C-N 3.31Å; A947-T949 PolarHBondContact O-N 3.2Å; T949-G1012 CarbonylContact O-C 3.59Å; T949-G1012 VanDerWaalsContact O-C 3.23Å; T949-G1012 VanDerWaalsContact O-CA 3.28Å; T949-G1012 WeakPolarHBondContact O-CA 3.27Å; T949-T1013 WeakPolarHBondContact CA-OG1 3.45Å; T949-T1013 PolarHBondContact O-N 2.99Å; T949-E1014 PolarHBondContact O-N 3.02Å
950	K	86.7	Confident	85.2	Confident	30 Å²	30	46.6 Å²	46.6	13%	0.13	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-30.8	179.1	-166.9	172.7	-163.2	-172.2	0	111.8	Y946 W1009 S1015 F1018	Y946-K950 HydrophobicContact CD1-CB 4.25Å; Y946-K950 HydrophobicContact CD1-CD 4.26Å; Y946-K950 WeakPolarHBondContact O-CA 3.33Å; Y946-K950 VanDerWaalsContact O-CB 3.28Å; Y946-K950 WeakPolarHBondContact O-CB 3.25Å; Y946-K950 PolarHBondContact O-N 3.01Å; K950-W1009 HydrophobicContact CD-CD2 4.19Å; K950-W1009 HydrophobicContact CD-CE3 4.33Å; K950-W1009 HydrophobicContact CD-CH2 3.93Å; K950-W1009 HydrophobicContact CD-CZ2 3.76Å; K950-W1009 HydrophobicContact CD-CZ3 4.2Å; K950-W1009 HydrophobicContact CG-CD2 3.85Å; K950-W1009 HydrophobicContact CG-CE3 3.95Å; K950-W1009 HydrophobicContact CG-CG 4.3Å; K950-W1009 HydrophobicContact CG-CH2 4.44Å; K950-W1009 HydrophobicContact CG-CZ2 4.36Å; K950-W1009 HydrophobicContact CG-CZ3 4.24Å; K950-W1009 VanDerWaalsContact NZ-CZ2 3.32Å; K950-W1009 WeakPolarHBondContact O-CB 2.97Å; K950-S1015 PolarHBondContact O-OG 3.33Å; K950-F1018 HydrophobicContact CB-CD2 4.3Å; K950-F1018 HydrophobicContact CB-CE2 4.2Å; K950-F1018 HydrophobicContact CD-CD2 4.38Å; K950-F1018 HydrophobicContact CD-CE2 4.4Å; K950-F1018 HydrophobicContact CD-CG 4.46Å; K950-F1018 HydrophobicContact CG-CD2 3.68Å; K950-F1018 HydrophobicContact CG-CE2 3.92Å; K950-F1018 HydrophobicContact CG-CG 4.07Å; K950-F1018 HydrophobicContact CG-CZ 4.5Å
951	G	87.5	Confident	84.9	Confident	6 Å²	6	43.8 Å²	43.8	6%	0.062	21%	0.209	C	C	.	.			trans	89.4	-170	-176.8	0	0	0	0	0	113	Y946 A947 W1009 A1010	Y946-G951 PolarHBondContact O-N 2.76Å; Y946-G951 VanDerWaalsContact O-N 3.07Å; A947-G951 WeakPolarHBondContact O-CA 3.49Å; A947-G951 PolarHBondContact O-N 2.97Å; G951-W1009 WeakPolarHBondContact O-CZ3 3.3Å; G951-A1010 CarbonylContact C-O 3.31Å; G951-A1010 VanDerWaalsContact CA-O 3.28Å; G951-A1010 WeakPolarHBondContact CA-O 3.19Å
952	V	85.4	Confident	84.8	Confident	68 Å²	68	43.2 Å²	43.2	41%	0.412	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	148.2	-179.7	-176.8	0	0	0	0	109.8	W1009 A1010	V952-W1009 WeakPolarHBondContact O-CA 2.95Å; V952-A1010 PolarHBondContact N-O 2.96Å; V952-A1010 PolarHBondContact O-N 3.09Å
953	R	86.1	Confident	84.5	Confident	54 Å²	54	49.2 Å²	49.2	20%	0.204	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	128.8	174.9	-81.7	-65.9	-165.7	-178.3	-4.9	110.9	Y955 V1008 W1009 E1022	R953-Y955 HydrophobicContact CB-CE2 4.33Å; R953-V1008 CarbonylContact C-O 3.49Å; R953-V1008 WeakPolarHBondContact CA-O 3.06Å; R953-W1009 HydrophobicContact CB-CZ3 4.46Å; R953-W1009 HydrophobicContact CG-CD2 4.28Å; R953-W1009 HydrophobicContact CG-CE3 3.92Å; R953-W1009 HydrophobicContact CG-CH2 3.62Å; R953-W1009 HydrophobicContact CG-CZ2 3.99Å; R953-W1009 HydrophobicContact CG-CZ3 3.59Å; R953-W1009 VanDerWaalsContact CZ-CZ2 3.41Å; R953-E1022 IonicContact CZ-OE1 3.93Å; R953-E1022 IonicContact CZ-OE2 3.43Å; R953-E1022 VanDerWaalsContact CZ-OE2 3.24Å; R953-E1022 IonicContact NH1-OE1 3.41Å; R953-E1022 IonicContact NH1-OE2 2.75Å; R953-E1022 PolarHBondContact NH1-OE2 2.84Å; R953-E1022 IonicContact NH2-OE1 3.3Å; R953-E1022 PolarHBondContact NH2-OE1 3.44Å; R953-E1022 IonicContact NH2-OE2 3.28Å; R953-E1022 PolarHBondContact NH2-OE2 3.46Å
954	R	86.9	Confident	84.2	Confident	39 Å²	39	45 Å²	45	15%	0.147	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	164.1	168.6	-52.2	-167.2	75	100.4	-1.4	110.7	E975 S979 V1008 A1010	R954-E975 VanDerWaalsContact CZ-CD 3.44Å; R954-E975 IonicContact CZ-OE1 3.54Å; R954-E975 IonicContact NE-OE1 3.67Å; R954-E975 IonicContact NH1-OE1 2.74Å; R954-E975 PolarHBondContact NH1-OE1 3.32Å; R954-E975 IonicContact NH2-OE1 2.66Å; R954-E975 PolarHBondContact NH2-OE1 3.34Å; R954-S979 VanDerWaalsContact CD-OG 3.24Å; R954-S979 WeakPolarHBondContact CD-OG 3.39Å; R954-S979 PolarHBondContact NE-OG 3.08Å; R954-V1008 HydrophobicContact CB-CG2 4.09Å; R954-V1008 PolarHBondContact N-O 3Å; R954-V1008 PolarHBondContact O-N 3.11Å; R954-A1010 HydrophobicContact CG-CB 3.91Å
955	Y	85.8	Confident	84.2	Confident	29 Å²	29	42.3 Å²	42.3	11%	0.114	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.7	-169.8	-57.9	-91.6	0	0	0	110.6	R953 S979 V980 L982 L985 V1004 K1006 R1007	R953-Y955 HydrophobicContact CB-CE2 4.33Å; Y955-S979 WeakPolarHBondContact O-CA 3.28Å; Y955-V980 PolarHBondContact N-O 3.37Å; Y955-V980 VanDerWaalsContact O-CG2 3.31Å; Y955-V980 WeakPolarHBondContact O-CG2 3.4Å; Y955-V980 PolarHBondContact O-N 3.22Å; Y955-L982 HydrophobicContact CE2-CB 3.92Å; Y955-L982 HydrophobicContact CE2-CD1 3.73Å; Y955-L982 HydrophobicContact CE2-CG 4.4Å; Y955-L985 HydrophobicContact CD1-CD2 3.89Å; Y955-L985 HydrophobicContact CD2-CD2 4.11Å; Y955-L985 HydrophobicContact CE1-CD2 4.25Å; Y955-L985 HydrophobicContact CE2-CD2 4.49Å; Y955-L985 HydrophobicContact CG-CD2 3.82Å; Y955-V1004 HydrophobicContact CD1-CG1 3.86Å; Y955-V1004 HydrophobicContact CD1-CG2 4.25Å; Y955-K1006 WeakPolarHBondContact CA-O 3.28Å; Y955-R1007 HydrophobicContact CD1-CG 3.83Å; Y955-R1007 HydrophobicContact CE1-CG 3.8Å
956	H	84.6	Confident	84.1	Confident	49 Å²	49	47.9 Å²	47.9	23%	0.227	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.4	163.4	-67.1	-77.1	0	0	0	109	D977 A1005 K1006	H956-D977 PolarHBondContact CE1-O 3.22Å; H956-D977 VanDerWaalsContact CE1-O 3.3Å; H956-A1005 PolarHBondContact O-N 2.68Å; H956-K1006 HydrophobicContact CB-CB 4.26Å; H956-K1006 PolarHBondContact N-O 3.42Å; H956-K1006 PolarHBondContact O-N 2.95Å
957	L	83.8	Confident	83.8	Confident	13 Å²	13	52.9 Å²	52.9	7%	0.068	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	145.2	176.4	-59.4	176.2	0	0	0	109.8	E962 V965 V980 L985 I988 V1003	L957-E962 HydrophobicContact CB-CG 3.96Å; L957-V965 HydrophobicContact CD1-CG2 3.83Å; L957-V980 HydrophobicContact CD2-CG2 4.08Å; L957-V980 HydrophobicContact CG-CG2 4.33Å; L957-L985 HydrophobicContact CD2-CD1 3.8Å; L957-I988 HydrophobicContact CD1-CD1 3.99Å; L957-I988 HydrophobicContact CD2-CD1 3.86Å; L957-V1003 WeakPolarHBondContact CA-O 3.39Å; L957-V1003 HydrophobicContact CD2-CG1 3.91Å
958	S	85.1	Confident	83.4	Confident	15 Å²	15	54.7 Å²	54.7	11%	0.105	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-76.2	170.2	171.9	65.8	0	0	0	0	111.3	E960 G961 E962 D1002 V1003	S958-E960 PolarHBondContact O-N 2.88Å; S958-E960 PolarHBondContact OG-N 3.48Å; S958-G961 CarbonylContact O-C 3.57Å; S958-G961 WeakPolarHBondContact O-CA 3.16Å; S958-G961 PolarHBondContact O-N 2.82Å; S958-G961 PolarHBondContact OG-N 3.41Å; S958-E962 WeakPolarHBondContact O-CG 3.44Å; S958-E962 PolarHBondContact O-N 3.28Å; S958-D1002 VanDerWaalsContact CB-O 3.3Å; S958-D1002 WeakPolarHBondContact CB-O 3.5Å; S958-D1002 PolarHBondContact OG-O 2.85Å; S958-V1003 PolarHBondContact N-O 3.29Å; S958-V1003 PolarHBondContact OG-O 3.2Å
959	E	81.5	Confident	82.9	Confident	180 Å²	180	55.3 Å²	55.3	84%	0.841	28%	0.28	S	S	*	.	H	α-helix	trans	-56.2	-37.5	172.1	-66.1	-178.5	177.6	0	0	111.8	W963	E959-W963 VanDerWaalsContact O-CB 3.3Å; E959-W963 WeakPolarHBondContact O-CB 3.48Å; E959-W963 PolarHBondContact O-N 3.49Å
960	E	78.6	Confident	82.6	Confident	91 Å²	91	55.5 Å²	55.5	43%	0.425	28%	0.28	S	S	.	.	H	α-helix	trans	-67.5	-37.3	172.7	-63	-170.3	166.9	0	0	112.1	S958 L964 D1002	S958-E960 PolarHBondContact O-N 2.88Å; S958-E960 PolarHBondContact OG-N 3.48Å; E960-L964 WeakPolarHBondContact O-CB 3.2Å; E960-L964 WeakPolarHBondContact O-CD1 3.46Å; E960-L964 WeakPolarHBondContact O-CG 3.25Å; E960-L964 PolarHBondContact O-N 3.35Å; E960-D1002 PolarHBondContact OE2-N 3.33Å
961	G	81.1	Confident	82.1	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69	-41.9	178	0	0	0	0	0	112.8	S958 L964 V965	S958-G961 CarbonylContact O-C 3.57Å; S958-G961 WeakPolarHBondContact O-CA 3.16Å; S958-G961 PolarHBondContact O-N 2.82Å; S958-G961 PolarHBondContact OG-N 3.41Å; G961-L964 WeakPolarHBondContact O-CB 3.47Å; G961-L964 PolarHBondContact O-N 2.99Å; G961-V965 WeakPolarHBondContact O-CG2 3.4Å; G961-V965 PolarHBondContact O-N 3.03Å
962	E	82.9	Confident	81.6	Confident	53 Å²	53	60.7 Å²	60.7	25%	0.248	31%	0.309	C	S	.	.	H	α-helix	trans	-65.1	-47.8	174.3	-68.7	-68.3	179.7	0	0	110.5	L957 S958 L964 V965 D966 R974	L957-E962 HydrophobicContact CB-CG 3.96Å; S958-E962 WeakPolarHBondContact O-CG 3.44Å; S958-E962 PolarHBondContact O-N 3.28Å; E962-L964 VanDerWaalsContact C-N 3.27Å; E962-L964 PolarHBondContact O-N 3.07Å; E962-V965 PolarHBondContact O-N 2.96Å; E962-V965 VanDerWaalsContact O-N 3.1Å; E962-D966 PolarHBondContact O-N 3.08Å; E962-R974 IonicContact OE1-CZ 3.2Å; E962-R974 IonicContact OE1-NH1 2.84Å; E962-R974 PolarHBondContact OE1-NH1 3.39Å; E962-R974 IonicContact OE1-NH2 3.85Å; E962-R974 IonicContact OE2-CZ 2.76Å; E962-R974 IonicContact OE2-NH1 3.79Å; E962-R974 PolarHBondContact OE2-NH1 2.99Å; E962-R974 IonicContact OE2-NH2 2.68Å; E962-R974 PolarHBondContact OE2-NH2 3.04Å
963	W	81.1	Confident	81.2	Confident	127 Å²	127	65 Å²	65	48%	0.481	32%	0.324	S	S	.	.	H	α-helix	trans	-57.7	-40.4	174.1	179.4	79.9	0	0	0	112.2	E959 D966 E967 W1001	E959-W963 VanDerWaalsContact O-CB 3.3Å; E959-W963 WeakPolarHBondContact O-CB 3.48Å; E959-W963 PolarHBondContact O-N 3.49Å; W963-D966 PolarHBondContact O-N 3.31Å; W963-E967 HydrophobicContact CD2-CB 4.44Å; W963-E967 HydrophobicContact CH2-CB 4.26Å; W963-E967 HydrophobicContact CH2-CG 3.85Å; W963-E967 HydrophobicContact CZ2-CB 4.11Å; W963-E967 HydrophobicContact CZ2-CG 3.81Å; W963-E967 HydrophobicContact CZ3-CB 4.49Å; W963-E967 HydrophobicContact CZ3-CG 4.45Å; W963-E967 WeakPolarHBondContact O-CB 3.27Å; W963-E967 PolarHBondContact O-N 3.26Å; W963-W1001 HydrophobicContact CE3-CZ3 4.37Å; W963-W1001 AromaticContact CZ3-CH2 3.76Å; W963-W1001 HydrophobicContact CZ3-CH2 3.76Å; W963-W1001 HydrophobicContact CZ3-CZ3 4.04Å
964	L	79.7	Confident	80.9	Confident	4 Å²	4	67.4 Å²	67.4	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-39.2	175.8	-84.6	163.1	0	0	0	112.9	E960 G961 E962 L968 A992 W1001 V1003	E960-L964 WeakPolarHBondContact O-CB 3.2Å; E960-L964 WeakPolarHBondContact O-CD1 3.46Å; E960-L964 WeakPolarHBondContact O-CG 3.25Å; E960-L964 PolarHBondContact O-N 3.35Å; G961-L964 WeakPolarHBondContact O-CB 3.47Å; G961-L964 PolarHBondContact O-N 2.99Å; E962-L964 VanDerWaalsContact C-N 3.27Å; E962-L964 PolarHBondContact O-N 3.07Å; L964-L968 HydrophobicContact CD2-CD1 4.16Å; L964-L968 WeakPolarHBondContact O-CB 3.37Å; L964-L968 VanDerWaalsContact O-CG 3.28Å; L964-L968 WeakPolarHBondContact O-CG 3.35Å; L964-L968 PolarHBondContact O-N 2.82Å; L964-A992 HydrophobicContact CD1-CB 4.2Å; L964-A992 HydrophobicContact CD2-CB 4.11Å; L964-W1001 HydrophobicContact CD1-CB 3.74Å; L964-W1001 HydrophobicContact CD1-CD2 3.75Å; L964-W1001 HydrophobicContact CD1-CE3 3.9Å; L964-W1001 HydrophobicContact CD1-CG 3.68Å; L964-W1001 HydrophobicContact CD2-CD2 4.15Å; L964-W1001 HydrophobicContact CD2-CE3 4.45Å; L964-W1001 HydrophobicContact CD2-CZ2 4.28Å; L964-W1001 HydrophobicContact CG-CD2 4.32Å; L964-W1001 HydrophobicContact CG-CE3 4.29Å; L964-V1003 HydrophobicContact CD1-CG2 4.3Å
965	V	83.1	Confident	80.2	Confident	7 Å²	7	70.5 Å²	70.5	4%	0.042	35%	0.35	C	S	.	.	H	α-helix	trans	-65	-43.9	177.4	165.3	0	0	0	0	110.2	L957 G961 E962 G969 I970 V972 I988	L957-V965 HydrophobicContact CD1-CG2 3.83Å; G961-V965 WeakPolarHBondContact O-CG2 3.4Å; G961-V965 PolarHBondContact O-N 3.03Å; E962-V965 PolarHBondContact O-N 2.96Å; E962-V965 VanDerWaalsContact O-N 3.1Å; V965-G969 WeakPolarHBondContact O-CA 3.46Å; V965-G969 PolarHBondContact O-N 2.96Å; V965-I970 HydrophobicContact CG1-CB 4.34Å; V965-I970 WeakPolarHBondContact CG1-O 3.16Å; V965-I970 PolarHBondContact O-N 3.33Å; V965-V972 HydrophobicContact CB-CG2 4.43Å; V965-V972 HydrophobicContact CG1-CB 4.49Å; V965-V972 HydrophobicContact CG1-CG2 3.62Å; V965-V972 HydrophobicContact CG2-CG2 3.83Å; V965-I988 HydrophobicContact CG2-CD1 3.85Å; V965-I988 HydrophobicContact CG2-CG1 4.08Å; V965-I988 HydrophobicContact CG2-CG2 4.08Å
966	D	81.7	Confident	79.3	Confident	122 Å²	122	77.2 Å²	77.2	65%	0.652	38%	0.382	S	S	*	.	H	α-helix	trans	-68.4	-46.4	178.5	-71.2	-17.2	0	0	0	112.2	E962 W963 L968 G969	E962-D966 PolarHBondContact O-N 3.08Å; W963-D966 PolarHBondContact O-N 3.31Å; D966-L968 PolarHBondContact O-N 2.81Å; D966-G969 PolarHBondContact O-N 2.82Å
967	E	80.9	Confident	78.3	Confident	128 Å²	128	78.5 Å²	78.5	60%	0.598	39%	0.39	S	S	*	.	H	α-helix	trans	-66	-37	-178.8	-175.3	70.7	-166.5	0	0	112.1	W963	W963-E967 HydrophobicContact CD2-CB 4.44Å; W963-E967 HydrophobicContact CH2-CB 4.26Å; W963-E967 HydrophobicContact CH2-CG 3.85Å; W963-E967 HydrophobicContact CZ2-CB 4.11Å; W963-E967 HydrophobicContact CZ2-CG 3.81Å; W963-E967 HydrophobicContact CZ3-CB 4.49Å; W963-E967 HydrophobicContact CZ3-CG 4.45Å; W963-E967 WeakPolarHBondContact O-CB 3.27Å; W963-E967 PolarHBondContact O-N 3.26Å
968	L	78	Confident	77.8	Confident	69 Å²	69	79 Å²	79	36%	0.361	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.9	178.9	-61.7	172.9	0	0	0	112.9	L964 D966 I970	L964-L968 HydrophobicContact CD2-CD1 4.16Å; L964-L968 WeakPolarHBondContact O-CB 3.37Å; L964-L968 VanDerWaalsContact O-CG 3.28Å; L964-L968 WeakPolarHBondContact O-CG 3.35Å; L964-L968 PolarHBondContact O-N 2.82Å; D966-L968 PolarHBondContact O-N 2.81Å; L968-I970 VanDerWaalsContact C-N 3.33Å; L968-I970 HydrophobicContact CB-CD1 3.92Å; L968-I970 HydrophobicContact CB-CG1 3.8Å; L968-I970 HydrophobicContact CD1-CD1 4.09Å; L968-I970 PolarHBondContact O-N 2.75Å
969	G	74.9	Confident	77.7	Confident	64 Å²	64	78.3 Å²	78.3	66%	0.66	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.4	40.3	-179	0	0	0	0	0	113.5	V965 D966	V965-G969 WeakPolarHBondContact O-CA 3.46Å; V965-G969 PolarHBondContact O-N 2.96Å; D966-G969 PolarHBondContact O-N 2.82Å
970	I	79	Confident	77.9	Confident	17 Å²	17	69.8 Å²	69.8	9%	0.087	35%	0.354	C	S	.	.			trans	-81.5	121.1	-177	-56.8	172.2	0	0	0	109.1	V965 L968 V972 I988 L991	V965-I970 HydrophobicContact CG1-CB 4.34Å; V965-I970 WeakPolarHBondContact CG1-O 3.16Å; V965-I970 PolarHBondContact O-N 3.33Å; L968-I970 VanDerWaalsContact C-N 3.33Å; L968-I970 HydrophobicContact CB-CD1 3.92Å; L968-I970 HydrophobicContact CB-CG1 3.8Å; L968-I970 HydrophobicContact CD1-CD1 4.09Å; L968-I970 PolarHBondContact O-N 2.75Å; I970-V972 HydrophobicContact CB-CG2 4.32Å; I970-V972 HydrophobicContact CG2-CG2 3.82Å; I970-V972 PolarHBondContact O-N 3.43Å; I970-I988 HydrophobicContact CD1-CG1 4.46Å; I970-I988 HydrophobicContact CD1-CG2 4.45Å; I970-I988 HydrophobicContact CG2-CG1 4.37Å; I970-L991 HydrophobicContact CD1-CB 4.04Å; I970-L991 HydrophobicContact CD1-CD1 3.84Å; I970-L991 HydrophobicContact CG1-CD1 4.04Å; I970-L991 HydrophobicContact CG2-CD1 4.35Å
971	D	76.2	Confident	78.2	Confident	128 Å²	128	67.2 Å²	67.2	68%	0.684	35%	0.346	S	S	*	.			trans	-75.5	112.2	169.6	-174.6	24.5	0	0	0	110.1	R987	D971-R987 PolarHBondContact O-NH1 3.43Å
972	V	78.1	Confident	78.2	Confident	17 Å²	17	69.3 Å²	69.3	10%	0.103	36%	0.357	C	S	.	.			trans	-112.4	120	-171.9	174.6	0	0	0	0	109.8	V965 I970 R974 V980 E984 I988	V965-V972 HydrophobicContact CB-CG2 4.43Å; V965-V972 HydrophobicContact CG1-CB 4.49Å; V965-V972 HydrophobicContact CG1-CG2 3.62Å; V965-V972 HydrophobicContact CG2-CG2 3.83Å; I970-V972 HydrophobicContact CB-CG2 4.32Å; I970-V972 HydrophobicContact CG2-CG2 3.82Å; I970-V972 PolarHBondContact O-N 3.43Å; V972-R974 HydrophobicContact CG1-CG 4.01Å; V972-R974 PolarHBondContact O-N 3.28Å; V972-V980 HydrophobicContact CG1-CB 4.46Å; V972-V980 HydrophobicContact CG1-CG1 3.4Å; V972-E984 HydrophobicContact CB-CG 4.48Å; V972-E984 HydrophobicContact CG1-CG 3.83Å; V972-I988 HydrophobicContact CG1-CD1 4.34Å; V972-I988 HydrophobicContact CG2-CD1 3.83Å; V972-I988 HydrophobicContact CG2-CG1 4.21Å
973	Q	77	Confident	78.1	Confident	158 Å²	158	71.1 Å²	71.1	74%	0.738	37%	0.366	S	S	*	.			trans	-74.2	113.4	172.8	-65.9	-175.2	-3.9	0	0	110.4
974	R	79.5	Confident	78.1	Confident	106 Å²	106	66 Å²	66	40%	0.4	35%	0.347	S	S	.	.			trans	-110.1	148.8	177.9	-56.7	-178.6	-169.2	-136.2	0.7	110.2	E962 V972 V980	E962-R974 IonicContact OE1-CZ 3.2Å; E962-R974 IonicContact OE1-NH1 2.84Å; E962-R974 PolarHBondContact OE1-NH1 3.39Å; E962-R974 IonicContact OE1-NH2 3.85Å; E962-R974 IonicContact OE2-CZ 2.76Å; E962-R974 IonicContact OE2-NH1 3.79Å; E962-R974 PolarHBondContact OE2-NH1 2.99Å; E962-R974 IonicContact OE2-NH2 2.68Å; E962-R974 PolarHBondContact OE2-NH2 3.04Å; V972-R974 HydrophobicContact CG1-CG 4.01Å; V972-R974 PolarHBondContact O-N 3.28Å; R974-V980 HydrophobicContact CG-CG1 4.15Å
975	E	72.6	Confident	78.2	Confident	104 Å²	104	66.5 Å²	66.5	49%	0.486	35%	0.35	S	S	.	.			trans	-86.9	178.1	168.5	-79	-163.6	-156.7	0	0	112.6	R954 D977 G978 S979	R954-E975 VanDerWaalsContact CZ-CD 3.44Å; R954-E975 IonicContact CZ-OE1 3.54Å; R954-E975 IonicContact NE-OE1 3.67Å; R954-E975 IonicContact NH1-OE1 2.74Å; R954-E975 PolarHBondContact NH1-OE1 3.32Å; R954-E975 IonicContact NH2-OE1 2.66Å; R954-E975 PolarHBondContact NH2-OE1 3.34Å; E975-D977 PolarHBondContact O-N 3.33Å; E975-D977 VanDerWaalsContact O-N 3.1Å; E975-G978 WeakPolarHBondContact O-CA 3.39Å; E975-G978 PolarHBondContact O-N 3.09Å; E975-S979 PolarHBondContact N-O 3.05Å; E975-S979 VanDerWaalsContact N-O 3.15Å
976	E	65.1	Low	78.2	Confident	170 Å²	170	71.3 Å²	71.3	79%	0.794	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.8	-178.6	-66.7	-173.7	179.6	0	0	113	R76	R76-E976 IonicContact NH1-OE1 3.06Å; R76-E976 PolarHBondContact NH1-OE1 2.86Å; R76-E976 IonicContact NH1-OE2 2.74Å; R76-E976 PolarHBondContact NH1-OE2 3.42Å; R76-E976 VanDerWaalsContact NH1-OE2 3.12Å
977	D	65.4	Low	78.2	Confident	75 Å²	75	70.5 Å²	70.5	40%	0.401	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.4	177.3	69	-10.2	0	0	0	113.9	H956 E975 S979	H956-D977 PolarHBondContact CE1-O 3.22Å; H956-D977 VanDerWaalsContact CE1-O 3.3Å; E975-D977 PolarHBondContact O-N 3.33Å; E975-D977 VanDerWaalsContact O-N 3.1Å; D977-S979 VanDerWaalsContact C-N 3.3Å; D977-S979 VanDerWaalsContact CG-OG 3.27Å; D977-S979 WeakPolarHBondContact OD1-CB 3.29Å; D977-S979 PolarHBondContact OD1-N 3.08Å; D977-S979 PolarHBondContact OD1-OG 3.18Å; D977-S979 PolarHBondContact OD2-OG 2.65Å
978	G	73.1	Confident	78.2	Confident	25 Å²	25	64.4 Å²	64.4	26%	0.258	33%	0.327	S	S	.	.	S	Bend	trans	77	10.8	-176	0	0	0	0	0	114.3	E975	E975-G978 WeakPolarHBondContact O-CA 3.39Å; E975-G978 PolarHBondContact O-N 3.09Å
979	S	82.3	Confident	78.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.325	C	S	.	.			trans	-85.2	149.8	178	74.1	0	0	0	0	112.8	R954 Y955 E975 D977	R954-S979 VanDerWaalsContact CD-OG 3.24Å; R954-S979 WeakPolarHBondContact CD-OG 3.39Å; R954-S979 PolarHBondContact NE-OG 3.08Å; Y955-S979 WeakPolarHBondContact O-CA 3.28Å; E975-S979 PolarHBondContact N-O 3.05Å; E975-S979 VanDerWaalsContact N-O 3.15Å; D977-S979 VanDerWaalsContact C-N 3.3Å; D977-S979 VanDerWaalsContact CG-OG 3.27Å; D977-S979 WeakPolarHBondContact OD1-CB 3.29Å; D977-S979 PolarHBondContact OD1-N 3.08Å; D977-S979 PolarHBondContact OD1-OG 3.18Å; D977-S979 PolarHBondContact OD2-OG 2.65Å
980	V	85.1	Confident	78.6	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-111.6	152.2	179.2	-58	0	0	0	0	111.8	Y955 L957 V972 R974 E984 L985	Y955-V980 PolarHBondContact N-O 3.37Å; Y955-V980 VanDerWaalsContact O-CG2 3.31Å; Y955-V980 WeakPolarHBondContact O-CG2 3.4Å; Y955-V980 PolarHBondContact O-N 3.22Å; L957-V980 HydrophobicContact CD2-CG2 4.08Å; L957-V980 HydrophobicContact CG-CG2 4.33Å; V972-V980 HydrophobicContact CG1-CB 4.46Å; V972-V980 HydrophobicContact CG1-CG1 3.4Å; R974-V980 HydrophobicContact CG-CG1 4.15Å; V980-E984 HydrophobicContact CB-CB 4.38Å; V980-L985 HydrophobicContact CG2-CB 4.49Å
981	S	85	Confident	78.6	Confident	37 Å²	37	70 Å²	70	26%	0.259	33%	0.334	S	S	.	.			trans	-71.9	163.1	175.3	73	0	0	0	0	111.6	E983 E984 L985	S981-E983 PolarHBondContact O-N 2.68Å; S981-E984 PolarHBondContact O-N 2.65Å; S981-E984 PolarHBondContact OG-N 3.01Å; S981-L985 PolarHBondContact O-N 3.03Å
982	L	81.2	Confident	78.5	Confident	44 Å²	44	64 Å²	64	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-35.2	174.9	-178.6	61.6	0	0	0	112.3	Y955 L985 R986	Y955-L982 HydrophobicContact CE2-CB 3.92Å; Y955-L982 HydrophobicContact CE2-CD1 3.73Å; Y955-L982 HydrophobicContact CE2-CG 4.4Å; L982-L985 PolarHBondContact O-N 3.03Å; L982-R986 WeakPolarHBondContact O-CB 3.36Å; L982-R986 VanDerWaalsContact O-CG 3.3Å; L982-R986 WeakPolarHBondContact O-CG 3.2Å; L982-R986 PolarHBondContact O-N 2.9Å
983	E	81.1	Confident	78.3	Confident	91 Å²	91	66.5 Å²	66.5	43%	0.425	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-45.3	178.7	-72.1	167.6	-150.5	0	0	111.5	L656 S981 R986 R987	L656-E983 WeakPolarHBondContact CB-OE1 3.3Å; L656-E983 WeakPolarHBondContact CD1-OE1 3.33Å; L656-E983 WeakPolarHBondContact CG-OE1 3.29Å; S981-E983 PolarHBondContact O-N 2.68Å; E983-R986 WeakPolarHBondContact O-CB 3.35Å; E983-R986 PolarHBondContact O-N 3.26Å; E983-R987 PolarHBondContact O-N 3.09Å
984	E	81.4	Confident	78.1	Confident	19 Å²	19	65.5 Å²	65.5	9%	0.089	32%	0.315	C	S	.	.	H	α-helix	trans	-67.8	-39.5	178.8	-163	55.8	-148.9	0	0	110.8	V972 V980 S981 R986 R987 I988	V972-E984 HydrophobicContact CB-CG 4.48Å; V972-E984 HydrophobicContact CG1-CG 3.83Å; V980-E984 HydrophobicContact CB-CB 4.38Å; S981-E984 PolarHBondContact O-N 2.65Å; S981-E984 PolarHBondContact OG-N 3.01Å; E984-R986 VanDerWaalsContact C-N 3.33Å; E984-R986 PolarHBondContact O-N 3.21Å; E984-R987 WeakPolarHBondContact O-CB 3.41Å; E984-R987 PolarHBondContact O-N 2.76Å; E984-R987 VanDerWaalsContact O-N 3.15Å; E984-R987 IonicContact OE1-CZ 2.84Å; E984-R987 IonicContact OE1-NE 3.6Å; E984-R987 IonicContact OE1-NH1 3.49Å; E984-R987 PolarHBondContact OE1-NH1 2.66Å; E984-R987 IonicContact OE2-NH1 3.34Å; E984-R987 PolarHBondContact OE2-NH1 3.3Å; E984-I988 HydrophobicContact CG-CD1 4.43Å; E984-I988 VanDerWaalsContact O-CG1 3.28Å; E984-I988 WeakPolarHBondContact O-CG1 3.45Å; E984-I988 PolarHBondContact O-N 3.16Å
985	L	81.7	Confident	77.4	Confident	15 Å²	15	64 Å²	64	8%	0.079	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-41.5	172.2	-172	77.9	0	0	0	112.4	Y955 L957 V980 S981 L982 R987 I988 S989 V1003 V1004	Y955-L985 HydrophobicContact CD1-CD2 3.89Å; Y955-L985 HydrophobicContact CD2-CD2 4.11Å; Y955-L985 HydrophobicContact CE1-CD2 4.25Å; Y955-L985 HydrophobicContact CE2-CD2 4.49Å; Y955-L985 HydrophobicContact CG-CD2 3.82Å; L957-L985 HydrophobicContact CD2-CD1 3.8Å; V980-L985 HydrophobicContact CG2-CB 4.49Å; S981-L985 PolarHBondContact O-N 3.03Å; L982-L985 PolarHBondContact O-N 3.03Å; L985-R987 VanDerWaalsContact C-N 3.34Å; L985-I988 PolarHBondContact O-N 3.22Å; L985-S989 WeakPolarHBondContact O-CB 3.42Å; L985-S989 PolarHBondContact O-N 3.15Å; L985-S989 PolarHBondContact O-OG 3.05Å; L985-V1003 HydrophobicContact CD1-CG1 3.92Å; L985-V1004 HydrophobicContact CD1-CG2 3.55Å; L985-V1004 HydrophobicContact CD2-CG2 3.48Å; L985-V1004 VanDerWaalsContact CD2-CG2 3.48Å; L985-V1004 HydrophobicContact CG-CG2 4.08Å
986	R	81.9	Confident	76.8	Confident	108 Å²	108	60.5 Å²	60.5	41%	0.408	31%	0.308	S	S	.	.	H	α-helix	trans	-65.5	-38.1	175.1	-77.2	173	176.2	168.4	-0.1	111.2	L982 E983 E984 R990	L982-R986 WeakPolarHBondContact O-CB 3.36Å; L982-R986 VanDerWaalsContact O-CG 3.3Å; L982-R986 WeakPolarHBondContact O-CG 3.2Å; L982-R986 PolarHBondContact O-N 2.9Å; E983-R986 WeakPolarHBondContact O-CB 3.35Å; E983-R986 PolarHBondContact O-N 3.26Å; E984-R986 VanDerWaalsContact C-N 3.33Å; E984-R986 PolarHBondContact O-N 3.21Å; R986-R990 VanDerWaalsContact O-CB 3.23Å; R986-R990 WeakPolarHBondContact O-CB 3.41Å; R986-R990 PolarHBondContact O-N 2.89Å
987	R	82	Confident	76.3	Confident	105 Å²	105	64.1 Å²	64.1	40%	0.396	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-50.1	174.6	-179.1	-179.9	168.4	-139.9	-1.1	110.9	D971 E983 E984 L985 S989 R990 L991	D971-R987 PolarHBondContact O-NH1 3.43Å; E983-R987 PolarHBondContact O-N 3.09Å; E984-R987 WeakPolarHBondContact O-CB 3.41Å; E984-R987 PolarHBondContact O-N 2.76Å; E984-R987 VanDerWaalsContact O-N 3.15Å; E984-R987 IonicContact OE1-CZ 2.84Å; E984-R987 IonicContact OE1-NE 3.6Å; E984-R987 IonicContact OE1-NH1 3.49Å; E984-R987 PolarHBondContact OE1-NH1 2.66Å; E984-R987 IonicContact OE2-NH1 3.34Å; E984-R987 PolarHBondContact OE2-NH1 3.3Å; L985-R987 VanDerWaalsContact C-N 3.34Å; R987-S989 PolarHBondContact O-N 2.84Å; R987-R990 PolarHBondContact O-N 3.09Å; R987-L991 HydrophobicContact CG-CD1 4.08Å; R987-L991 WeakPolarHBondContact O-CG 3.24Å; R987-L991 PolarHBondContact O-N 2.83Å
988	I	81.1	Confident	75.8	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-58.4	-48.6	175.9	-64	163.1	0	0	0	110.6	L957 V965 I970 V972 E984 L985 R990 L991 A992 V1003	L957-I988 HydrophobicContact CD1-CD1 3.99Å; L957-I988 HydrophobicContact CD2-CD1 3.86Å; V965-I988 HydrophobicContact CG2-CD1 3.85Å; V965-I988 HydrophobicContact CG2-CG1 4.08Å; V965-I988 HydrophobicContact CG2-CG2 4.08Å; I970-I988 HydrophobicContact CD1-CG1 4.46Å; I970-I988 HydrophobicContact CD1-CG2 4.45Å; I970-I988 HydrophobicContact CG2-CG1 4.37Å; V972-I988 HydrophobicContact CG1-CD1 4.34Å; V972-I988 HydrophobicContact CG2-CD1 3.83Å; V972-I988 HydrophobicContact CG2-CG1 4.21Å; E984-I988 HydrophobicContact CG-CD1 4.43Å; E984-I988 VanDerWaalsContact O-CG1 3.28Å; E984-I988 WeakPolarHBondContact O-CG1 3.45Å; E984-I988 PolarHBondContact O-N 3.16Å; L985-I988 PolarHBondContact O-N 3.22Å; I988-R990 VanDerWaalsContact C-N 3.31Å; I988-R990 PolarHBondContact O-N 3.04Å; I988-L991 PolarHBondContact O-N 3.44Å; I988-A992 VanDerWaalsContact O-CB 3.3Å; I988-A992 WeakPolarHBondContact O-CB 3.38Å; I988-A992 PolarHBondContact O-N 3.43Å; I988-V1003 HydrophobicContact CG2-CG1 3.85Å
989	S	80.8	Confident	75.1	Confident	48 Å²	48	78 Å²	78	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-36.2	-179.9	-59.1	0	0	0	0	112.7	L985 R987 S993	L985-S989 WeakPolarHBondContact O-CB 3.42Å; L985-S989 PolarHBondContact O-N 3.15Å; L985-S989 PolarHBondContact O-OG 3.05Å; R987-S989 PolarHBondContact O-N 2.84Å; S989-S993 WeakPolarHBondContact O-CB 3.43Å; S989-S993 PolarHBondContact O-N 2.87Å; S989-S993 VanDerWaalsContact O-N 3.08Å; S989-S993 PolarHBondContact O-OG 3.23Å
990	R	80.8	Confident	74.1	Confident	159 Å²	159	87.6 Å²	87.6	60%	0.6	40%	0.399	S	S	*	.	H	α-helix	trans	-69	-42.8	176.5	-169	-173.7	-54.9	162.6	4.3	111.5	R986 R987 I988 S993 Q994	R986-R990 VanDerWaalsContact O-CB 3.23Å; R986-R990 WeakPolarHBondContact O-CB 3.41Å; R986-R990 PolarHBondContact O-N 2.89Å; R987-R990 PolarHBondContact O-N 3.09Å; I988-R990 VanDerWaalsContact C-N 3.31Å; I988-R990 PolarHBondContact O-N 3.04Å; R990-S993 WeakPolarHBondContact CA-OG 3.48Å; R990-S993 PolarHBondContact O-N 3.19Å; R990-S993 PolarHBondContact O-OG 3.35Å; R990-Q994 VanDerWaalsContact O-CG 3.3Å; R990-Q994 WeakPolarHBondContact O-CG 3.43Å; R990-Q994 PolarHBondContact O-N 3.47Å
991	L	78.5	Confident	73.4	Confident	61 Å²	61	90.5 Å²	90.5	32%	0.319	41%	0.41	S	S	.	.	H	α-helix	trans	-68	-41.4	177.2	-68.5	170.8	0	0	0	111.5	I970 R987 I988 S993 Q994 S995	I970-L991 HydrophobicContact CD1-CB 4.04Å; I970-L991 HydrophobicContact CD1-CD1 3.84Å; I970-L991 HydrophobicContact CG1-CD1 4.04Å; I970-L991 HydrophobicContact CG2-CD1 4.35Å; R987-L991 HydrophobicContact CG-CD1 4.08Å; R987-L991 WeakPolarHBondContact O-CG 3.24Å; R987-L991 PolarHBondContact O-N 2.83Å; I988-L991 PolarHBondContact O-N 3.44Å; L991-S993 VanDerWaalsContact C-N 3.32Å; L991-S993 PolarHBondContact O-N 2.82Å; L991-Q994 PolarHBondContact O-N 3.4Å; L991-S995 PolarHBondContact O-N 3.46Å; L991-S995 PolarHBondContact O-OG 2.98Å; L991-S995 VanDerWaalsContact O-OG 3.1Å
992	A	74.7	Confident	73	Confident	2 Å²	2	93.9 Å²	93.9	2%	0.017	43%	0.425	C	S	.	.	H	α-helix	trans	-64.4	-32.6	176.3	0	0	0	0	0	113.6	L964 I988 S995 S996	L964-A992 HydrophobicContact CD1-CB 4.2Å; L964-A992 HydrophobicContact CD2-CB 4.11Å; I988-A992 VanDerWaalsContact O-CB 3.3Å; I988-A992 WeakPolarHBondContact O-CB 3.38Å; I988-A992 PolarHBondContact O-N 3.43Å; A992-S995 WeakPolarHBondContact CA-OG 3.49Å; A992-S995 PolarHBondContact O-OG 3.2Å; A992-S996 PolarHBondContact O-N 3.32Å
993	S	74.3	Confident	72.8	Confident	69 Å²	69	92.3 Å²	92.3	48%	0.483	42%	0.417	S	S	.	.	H	α-helix	trans	-79.2	-22.6	176.3	51.5	0	0	0	0	113.5	S989 R990 L991	S989-S993 WeakPolarHBondContact O-CB 3.43Å; S989-S993 PolarHBondContact O-N 2.87Å; S989-S993 VanDerWaalsContact O-N 3.08Å; S989-S993 PolarHBondContact O-OG 3.23Å; R990-S993 WeakPolarHBondContact CA-OG 3.48Å; R990-S993 PolarHBondContact O-N 3.19Å; R990-S993 PolarHBondContact O-OG 3.35Å; L991-S993 VanDerWaalsContact C-N 3.32Å; L991-S993 PolarHBondContact O-N 2.82Å
994	Q	72.4	Confident	72.8	Confident	138 Å²	138	89.4 Å²	89.4	65%	0.645	41%	0.406	S	S	*	.	H	α-helix	trans	-75.7	-33.2	172.8	-73.9	173.4	1.7	0	0	112.2	R990 L991	R990-Q994 VanDerWaalsContact O-CG 3.3Å; R990-Q994 WeakPolarHBondContact O-CG 3.43Å; R990-Q994 PolarHBondContact O-N 3.47Å; L991-Q994 PolarHBondContact O-N 3.4Å
995	S	64.6	Low	72.5	Confident	73 Å²	73	91.8 Å²	91.8	51%	0.51	43%	0.429	S	S	.	.	H	α-helix	trans	-82.9	-23.5	179	47.7	0	0	0	0	114.1	L991 A992	L991-S995 PolarHBondContact O-N 3.46Å; L991-S995 PolarHBondContact O-OG 2.98Å; L991-S995 VanDerWaalsContact O-OG 3.1Å; A992-S995 WeakPolarHBondContact CA-OG 3.49Å; A992-S995 PolarHBondContact O-OG 3.2Å
996	S	60	Low	72.4	Confident	31 Å²	31	95.8 Å²	95.8	22%	0.217	45%	0.445	C	S	.	.			trans	-139.1	116.3	174.6	116.2	0	0	0	0	112.8	A992 W1001	A992-S996 PolarHBondContact O-N 3.32Å; S996-W1001 PolarHBondContact OG-NE1 3.08Å
997	R	56	Low	72.6	Confident	247 Å²	247	96.2 Å²	96.2	93%	0.932	45%	0.447	S	S	*	.	S	Bend	trans	-82.5	-4.4	-178.6	-86.5	-175.1	175.4	177.1	0.2	115.7
998	R	53.8	Low	72.8	Confident	252 Å²	252	91.7 Å²	91.7	95%	0.951	43%	0.431	S	S	*	.	S	Bend	trans	-130.1	-8.2	-170.6	-83.6	-175.3	176.7	173.1	-0.7	116.4
999	K	58.2	Low	73.1	Confident	138 Å²	138	93.5 Å²	93.5	60%	0.6	44%	0.438	S	S	*	.			trans	-112.8	126.7	-179.5	-141.9	178	-179.2	-168.1	0	109.9	W1001	K999-W1001 HydrophobicContact CB-CZ2 4.48Å; K999-W1001 HydrophobicContact CD-CH2 4.18Å; K999-W1001 HydrophobicContact CD-CZ2 4.21Å
1000	K	61.6	Low	73.4	Confident	202 Å²	202	92.2 Å²	92.2	88%	0.878	43%	0.43	S	S	*	.			trans	-87.6	109.2	173.8	-167.9	177.7	-174.8	177.1	0	106.9
1001	W	70.2	Confident	73.5	Confident	61 Å²	61	88 Å²	88	23%	0.231	44%	0.436	C	S	.	.			trans	-82	135.4	-179.9	-59.8	101.7	0	0	0	110.2	W963 L964 S996 K999 V1003	W963-W1001 HydrophobicContact CE3-CZ3 4.37Å; W963-W1001 AromaticContact CZ3-CH2 3.76Å; W963-W1001 HydrophobicContact CZ3-CH2 3.76Å; W963-W1001 HydrophobicContact CZ3-CZ3 4.04Å; L964-W1001 HydrophobicContact CD1-CB 3.74Å; L964-W1001 HydrophobicContact CD1-CD2 3.75Å; L964-W1001 HydrophobicContact CD1-CE3 3.9Å; L964-W1001 HydrophobicContact CD1-CG 3.68Å; L964-W1001 HydrophobicContact CD2-CD2 4.15Å; L964-W1001 HydrophobicContact CD2-CE3 4.45Å; L964-W1001 HydrophobicContact CD2-CZ2 4.28Å; L964-W1001 HydrophobicContact CG-CD2 4.32Å; L964-W1001 HydrophobicContact CG-CE3 4.29Å; S996-W1001 PolarHBondContact OG-NE1 3.08Å; K999-W1001 HydrophobicContact CB-CZ2 4.48Å; K999-W1001 HydrophobicContact CD-CH2 4.18Å; K999-W1001 HydrophobicContact CD-CZ2 4.21Å; W1001-V1003 HydrophobicContact CB-CG2 3.95Å; W1001-V1003 PolarHBondContact O-N 3.05Å
1002	D	76.2	Confident	73.9	Confident	108 Å²	108	85.1 Å²	85.1	58%	0.578	42%	0.422	S	S	*	.			trans	-90.5	88.3	171.8	-170.5	12.4	0	0	0	108.9	S958 E960	S958-D1002 VanDerWaalsContact CB-O 3.3Å; S958-D1002 WeakPolarHBondContact CB-O 3.5Å; S958-D1002 PolarHBondContact OG-O 2.85Å; E960-D1002 PolarHBondContact OE2-N 3.33Å
1003	V	77.4	Confident	74.4	Confident	11 Å²	11	85.8 Å²	85.8	7%	0.067	43%	0.425	C	S	.	.			trans	-79.6	-17.8	-169.9	-174.1	0	0	0	0	112.6	L957 S958 L964 L985 I988 W1001	L957-V1003 WeakPolarHBondContact CA-O 3.39Å; L957-V1003 HydrophobicContact CD2-CG1 3.91Å; S958-V1003 PolarHBondContact N-O 3.29Å; S958-V1003 PolarHBondContact OG-O 3.2Å; L964-V1003 HydrophobicContact CD1-CG2 4.3Å; L985-V1003 HydrophobicContact CD1-CG1 3.92Å; I988-V1003 HydrophobicContact CG2-CG1 3.85Å; W1001-V1003 HydrophobicContact CB-CG2 3.95Å; W1001-V1003 PolarHBondContact O-N 3.05Å
1004	V	80.4	Confident	75.1	Confident	30 Å²	30	82.6 Å²	82.6	18%	0.182	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.9	-170.7	178.6	0	0	0	0	110.4	Y955 L985 R1007	Y955-V1004 HydrophobicContact CD1-CG1 3.86Å; Y955-V1004 HydrophobicContact CD1-CG2 4.25Å; L985-V1004 HydrophobicContact CD1-CG2 3.55Å; L985-V1004 HydrophobicContact CD2-CG2 3.48Å; L985-V1004 VanDerWaalsContact CD2-CG2 3.48Å; L985-V1004 HydrophobicContact CG-CG2 4.08Å; V1004-R1007 HydrophobicContact CG1-CG 4.18Å
1005	A	76.5	Confident	76	Confident	70 Å²	70	76.1 Å²	76.1	58%	0.579	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	-48.5	170.1	0	0	0	0	0	112.3	H956	H956-A1005 PolarHBondContact O-N 2.68Å
1006	K	79.9	Confident	77.2	Confident	98 Å²	98	73.8 Å²	73.8	43%	0.426	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	147.1	-170.4	-167.4	178.4	177.7	-173.8	0	111.6	Y955 H956 V1008	Y955-K1006 WeakPolarHBondContact CA-O 3.28Å; H956-K1006 HydrophobicContact CB-CB 4.26Å; H956-K1006 PolarHBondContact N-O 3.42Å; H956-K1006 PolarHBondContact O-N 2.95Å; K1006-V1008 HydrophobicContact CD-CG1 4.22Å; K1006-V1008 HydrophobicContact CG-CG1 4.23Å
1007	R	85.6	Confident	78.7	Confident	117 Å²	117	72.4 Å²	72.4	44%	0.442	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.3	173.7	-55.4	-179	-176.4	175.3	0.9	108.6	Y955 V1004	Y955-R1007 HydrophobicContact CD1-CG 3.83Å; Y955-R1007 HydrophobicContact CE1-CG 3.8Å; V1004-R1007 HydrophobicContact CG1-CG 4.18Å
1008	V	86.4	Confident	80.3	Confident	10 Å²	10	60.7 Å²	60.7	6%	0.061	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.8	-179.5	-65.4	0	0	0	0	109.7	R953 R954 K1006 N1019	R953-V1008 CarbonylContact C-O 3.49Å; R953-V1008 WeakPolarHBondContact CA-O 3.06Å; R954-V1008 HydrophobicContact CB-CG2 4.09Å; R954-V1008 PolarHBondContact N-O 3Å; R954-V1008 PolarHBondContact O-N 3.11Å; K1006-V1008 HydrophobicContact CD-CG1 4.22Å; K1006-V1008 HydrophobicContact CG-CG1 4.23Å; V1008-N1019 WeakPolarHBondContact CA-OD1 3.48Å
1009	W	87.7	Confident	82.1	Confident	39 Å²	39	49.6 Å²	49.6	15%	0.148	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	140.6	169.4	-64.7	103.1	0	0	0	109	K950 G951 V952 R953 F1018 N1019 E1022	K950-W1009 HydrophobicContact CD-CD2 4.19Å; K950-W1009 HydrophobicContact CD-CE3 4.33Å; K950-W1009 HydrophobicContact CD-CH2 3.93Å; K950-W1009 HydrophobicContact CD-CZ2 3.76Å; K950-W1009 HydrophobicContact CD-CZ3 4.2Å; K950-W1009 HydrophobicContact CG-CD2 3.85Å; K950-W1009 HydrophobicContact CG-CE3 3.95Å; K950-W1009 HydrophobicContact CG-CG 4.3Å; K950-W1009 HydrophobicContact CG-CH2 4.44Å; K950-W1009 HydrophobicContact CG-CZ2 4.36Å; K950-W1009 HydrophobicContact CG-CZ3 4.24Å; K950-W1009 VanDerWaalsContact NZ-CZ2 3.32Å; K950-W1009 WeakPolarHBondContact O-CB 2.97Å; G951-W1009 WeakPolarHBondContact O-CZ3 3.3Å; V952-W1009 WeakPolarHBondContact O-CA 2.95Å; R953-W1009 HydrophobicContact CB-CZ3 4.46Å; R953-W1009 HydrophobicContact CG-CD2 4.28Å; R953-W1009 HydrophobicContact CG-CE3 3.92Å; R953-W1009 HydrophobicContact CG-CH2 3.62Å; R953-W1009 HydrophobicContact CG-CZ2 3.99Å; R953-W1009 HydrophobicContact CG-CZ3 3.59Å; R953-W1009 VanDerWaalsContact CZ-CZ2 3.41Å; W1009-F1018 HydrophobicContact CG-CB 4.49Å; W1009-N1019 PolarHBondContact N-OD1 2.95Å; W1009-N1019 PolarHBondContact O-ND2 2.8Å; W1009-E1022 PolarHBondContact NE1-OE1 3.48Å
1010	A	86.6	Confident	83.7	Confident	20 Å²	20	45.8 Å²	45.8	17%	0.165	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.1	177.3	0	0	0	0	0	111.8	G951 V952 R954 G1012	G951-A1010 CarbonylContact C-O 3.31Å; G951-A1010 VanDerWaalsContact CA-O 3.28Å; G951-A1010 WeakPolarHBondContact CA-O 3.19Å; V952-A1010 PolarHBondContact N-O 2.96Å; V952-A1010 PolarHBondContact O-N 3.09Å; R954-A1010 HydrophobicContact CG-CB 3.91Å; A1010-G1012 VanDerWaalsContact C-N 3.32Å; A1010-G1012 PolarHBondContact O-N 3.23Å
1011	G	81.7	Confident	85	Confident	70 Å²	70	36.1 Å²	36.1	72%	0.722	20%	0.201	S	C	*	.	S	Bend	trans	82.4	-5.6	172.2	0	0	0	0	0	116.4
1012	G	87.2	Confident	86	Confident	2 Å²	2	34.2 Å²	34.2	2%	0.021	20%	0.195	C	C	.	.	S	Bend	trans	-96.8	160.3	174.6	0	0	0	0	0	112.9	L948 T949 A1010 E1014 S1015	L948-G1012 WeakPolarHBondContact O-CA 3.41Å; T949-G1012 CarbonylContact O-C 3.59Å; T949-G1012 VanDerWaalsContact O-C 3.23Å; T949-G1012 VanDerWaalsContact O-CA 3.28Å; T949-G1012 WeakPolarHBondContact O-CA 3.27Å; A1010-G1012 VanDerWaalsContact C-N 3.32Å; A1010-G1012 PolarHBondContact O-N 3.23Å; G1012-E1014 PolarHBondContact O-N 3.38Å; G1012-S1015 WeakPolarHBondContact CA-OG 3.43Å; G1012-S1015 PolarHBondContact N-OG 2.83Å; G1012-S1015 PolarHBondContact O-N 3.03Å; G1012-S1015 PolarHBondContact O-OG 2.63Å
1013	T	85.9	Confident	86.7	Confident	16 Å²	16	31.7 Å²	31.7	10%	0.098	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.2	178.3	57.5	0	0	0	0	114.2	A875 F876 M879 L948 T949	A875-T1013 HydrophobicContact CB-CG2 4.18Å; F876-T1013 WeakPolarHBondContact CB-O 3.42Å; F876-T1013 PolarHBondContact N-O 3.01Å; M879-T1013 HydrophobicContact CE-CG2 4.01Å; L948-T1013 PolarHBondContact O-N 2.92Å; L948-T1013 VanDerWaalsContact O-N 3.15Å; T949-T1013 WeakPolarHBondContact CA-OG1 3.45Å; T949-T1013 PolarHBondContact O-N 2.99Å
1014	E	89.4	Confident	87.3	Confident	2 Å²	2	32 Å²	32	1%	0.009	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	6.9	-173.6	-71.9	170.7	-141.7	0	0	113.2	F876 R913 T949 G1012 D1016 M1017 F1018	F876-E1014 HydrophobicContact CB-CG 3.85Å; F876-E1014 HydrophobicContact CD1-CG 4.24Å; F876-E1014 HydrophobicContact CD2-CG 3.71Å; F876-E1014 HydrophobicContact CE2-CG 4.29Å; F876-E1014 HydrophobicContact CG-CG 3.7Å; R913-E1014 IonicContact CZ-OE1 3.82Å; R913-E1014 VanDerWaalsContact CZ-OE1 3.31Å; R913-E1014 IonicContact CZ-OE2 3.63Å; R913-E1014 IonicContact NH1-OE1 3.83Å; R913-E1014 PolarHBondContact NH1-OE1 3.1Å; R913-E1014 VanDerWaalsContact NH1-OE1 3.08Å; R913-E1014 IonicContact NH1-OE2 3.68Å; R913-E1014 PolarHBondContact NH1-OE2 2.97Å; R913-E1014 IonicContact NH2-OE1 2.93Å; R913-E1014 PolarHBondContact NH2-OE1 3.22Å; R913-E1014 IonicContact NH2-OE2 3.71Å; R913-E1014 PolarHBondContact NH2-OE2 3.06Å; T949-E1014 PolarHBondContact O-N 3.02Å; G1012-E1014 PolarHBondContact O-N 3.38Å; E1014-D1016 VanDerWaalsContact C-N 3.3Å; E1014-D1016 PolarHBondContact O-N 2.99Å; E1014-M1017 HydrophobicContact CB-CE 3.94Å; E1014-M1017 HydrophobicContact CG-CE 4.03Å; E1014-M1017 WeakPolarHBondContact O-CB 3.4Å; E1014-M1017 PolarHBondContact O-N 3.47Å; E1014-M1017 VanDerWaalsContact O-N 3.1Å; E1014-M1017 WeakPolarHBondContact OE2-CE 3.44Å; E1014-F1018 HydrophobicContact CB-CD2 4.04Å; E1014-F1018 HydrophobicContact CB-CE2 3.96Å; E1014-F1018 WeakPolarHBondContact O-CD2 3.48Å; E1014-F1018 PolarHBondContact O-N 2.94Å; E1014-F1018 VanDerWaalsContact O-N 3.11Å
1015	S	90.2	Very high	87.7	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-52.8	-45.5	-174.4	-67.7	0	0	0	0	112.9	K950 G1012 M1017 F1018 N1019	K950-S1015 PolarHBondContact O-OG 3.33Å; G1012-S1015 WeakPolarHBondContact CA-OG 3.43Å; G1012-S1015 PolarHBondContact N-OG 2.83Å; G1012-S1015 PolarHBondContact O-N 3.03Å; G1012-S1015 PolarHBondContact O-OG 2.63Å; S1015-M1017 PolarHBondContact O-N 3.18Å; S1015-F1018 PolarHBondContact O-N 3.03Å; S1015-N1019 WeakPolarHBondContact O-CB 3.48Å; S1015-N1019 PolarHBondContact O-N 3.03Å; S1015-N1019 PolarHBondContact O-ND2 2.94Å
1016	D	90.1	Very high	88.3	Confident	24 Å²	24	31.9 Å²	31.9	13%	0.128	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-36.1	180	-71.4	-78.1	0	0	0	113.9	H866 F867 E1014 N1019 K1020	H866-D1016 IonicContact ND1-OD1 3.66Å; F867-D1016 HydrophobicContact CB-CB 4.27Å; F867-D1016 WeakPolarHBondContact CD2-OD2 3.48Å; E1014-D1016 VanDerWaalsContact C-N 3.3Å; E1014-D1016 PolarHBondContact O-N 2.99Å; D1016-N1019 PolarHBondContact O-N 3.48Å; D1016-K1020 PolarHBondContact O-N 3.17Å
1017	M	91.7	Very high	88.8	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-48.2	173.7	172.5	-91.3	-77.6	0	0	110.3	A859 F876 I914 E1014 S1015 N1019 K1020 L1021	A859-M1017 HydrophobicContact CB-CG 4.03Å; A859-M1017 HydrophobicContact CB-SD 4.41Å; A859-M1017 WeakPolarHBondContact O-CG 3.28Å; F876-M1017 HydrophobicContact CD1-CB 4.41Å; F876-M1017 HydrophobicContact CD1-CE 4.35Å; F876-M1017 HydrophobicContact CE1-CE 3.89Å; F876-M1017 HydrophobicContact CE1-CG 4.29Å; F876-M1017 HydrophobicContact CZ-CE 4.22Å; I914-M1017 HydrophobicContact CG1-CE 3.93Å; I914-M1017 HydrophobicContact CG2-CE 4.48Å; E1014-M1017 HydrophobicContact CB-CE 3.94Å; E1014-M1017 HydrophobicContact CG-CE 4.03Å; E1014-M1017 WeakPolarHBondContact O-CB 3.4Å; E1014-M1017 PolarHBondContact O-N 3.47Å; E1014-M1017 VanDerWaalsContact O-N 3.1Å; E1014-M1017 WeakPolarHBondContact OE2-CE 3.44Å; S1015-M1017 PolarHBondContact O-N 3.18Å; M1017-N1019 VanDerWaalsContact C-N 3.32Å; M1017-N1019 PolarHBondContact O-N 3.3Å; M1017-K1020 PolarHBondContact O-N 3.07Å; M1017-L1021 HydrophobicContact CG-CD1 4.25Å; M1017-L1021 WeakPolarHBondContact O-CG 3.44Å; M1017-L1021 PolarHBondContact O-N 3.3Å; M1017-L1021 HydrophobicContact SD-CD1 3.45Å; M1017-L1021 WeakPolarHBondContact SD-CD1 3.37Å; M1017-L1021 HydrophobicContact SD-CG 4.26Å
1018	F	90	Very high	89	Confident	2 Å²	2	27.6 Å²	27.6	1%	0.009	18%	0.177	C	C	.	.	H	α-helix	trans	-62.8	-38	175.8	-78	-72.1	0	0	0	112.5	R913 K950 W1009 E1014 S1015 L1021 E1022	R913-F1018 HydrophobicContact CG-CZ 4.26Å; R913-F1018 WeakPolarHBondContact O-CZ 3.38Å; K950-F1018 HydrophobicContact CB-CD2 4.3Å; K950-F1018 HydrophobicContact CB-CE2 4.2Å; K950-F1018 HydrophobicContact CD-CD2 4.38Å; K950-F1018 HydrophobicContact CD-CE2 4.4Å; K950-F1018 HydrophobicContact CD-CG 4.46Å; K950-F1018 HydrophobicContact CG-CD2 3.68Å; K950-F1018 HydrophobicContact CG-CE2 3.92Å; K950-F1018 HydrophobicContact CG-CG 4.07Å; K950-F1018 HydrophobicContact CG-CZ 4.5Å; W1009-F1018 HydrophobicContact CG-CB 4.49Å; E1014-F1018 HydrophobicContact CB-CD2 4.04Å; E1014-F1018 HydrophobicContact CB-CE2 3.96Å; E1014-F1018 WeakPolarHBondContact O-CD2 3.48Å; E1014-F1018 PolarHBondContact O-N 2.94Å; E1014-F1018 VanDerWaalsContact O-N 3.11Å; S1015-F1018 PolarHBondContact O-N 3.03Å; F1018-L1021 PolarHBondContact O-N 3.12Å; F1018-E1022 VanDerWaalsContact O-CB 3.31Å; F1018-E1022 WeakPolarHBondContact O-CB 3.46Å; F1018-E1022 WeakPolarHBondContact O-CG 3.33Å; F1018-E1022 PolarHBondContact O-N 3.25Å
1019	N	90.6	Very high	89.2	Confident	18 Å²	18	32.6 Å²	32.6	10%	0.096	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-44.3	175.5	-71.6	-26	0	0	0	111.7	V1008 W1009 S1015 D1016 M1017 S1023	V1008-N1019 WeakPolarHBondContact CA-OD1 3.48Å; W1009-N1019 PolarHBondContact N-OD1 2.95Å; W1009-N1019 PolarHBondContact O-ND2 2.8Å; S1015-N1019 WeakPolarHBondContact O-CB 3.48Å; S1015-N1019 PolarHBondContact O-N 3.03Å; S1015-N1019 PolarHBondContact O-ND2 2.94Å; D1016-N1019 PolarHBondContact O-N 3.48Å; M1017-N1019 VanDerWaalsContact C-N 3.32Å; M1017-N1019 PolarHBondContact O-N 3.3Å; N1019-S1023 WeakPolarHBondContact O-CB 3.24Å; N1019-S1023 PolarHBondContact O-N 3.46Å
1020	K	91.4	Very high	89.5	Confident	58 Å²	58	30.8 Å²	30.8	25%	0.252	19%	0.193	S	C	.	.	H	α-helix	trans	-65.6	-44.9	176.8	-176.6	59.7	169.1	-171.1	0	111.7	L862 H866 D1016 M1017 S1023 I1024	L862-K1020 HydrophobicContact CB-CG 4.26Å; L862-K1020 WeakPolarHBondContact O-CG 3.42Å; H866-K1020 HydrophobicContact CB-CB 3.99Å; H866-K1020 HydrophobicContact CB-CD 4.12Å; H866-K1020 HydrophobicContact CB-CG 4.28Å; D1016-K1020 PolarHBondContact O-N 3.17Å; M1017-K1020 PolarHBondContact O-N 3.07Å; K1020-S1023 WeakPolarHBondContact O-CB 3.35Å; K1020-S1023 PolarHBondContact O-N 2.97Å; K1020-I1024 HydrophobicContact CG-CD1 4.41Å; K1020-I1024 WeakPolarHBondContact O-CG1 3.19Å; K1020-I1024 PolarHBondContact O-N 3.38Å
1021	L	90.9	Very high	89.9	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-43.3	178.2	-66.5	180	0	0	0	112	L862 M1017 F1018 S1023 I1024 A1025 V1057 A1060 V1061	L862-L1021 HydrophobicContact CD1-CD2 4.01Å; M1017-L1021 HydrophobicContact CG-CD1 4.25Å; M1017-L1021 WeakPolarHBondContact O-CG 3.44Å; M1017-L1021 PolarHBondContact O-N 3.3Å; M1017-L1021 HydrophobicContact SD-CD1 3.45Å; M1017-L1021 WeakPolarHBondContact SD-CD1 3.37Å; M1017-L1021 HydrophobicContact SD-CG 4.26Å; F1018-L1021 PolarHBondContact O-N 3.12Å; L1021-S1023 VanDerWaalsContact C-N 3.31Å; L1021-S1023 PolarHBondContact O-N 3.22Å; L1021-I1024 PolarHBondContact O-N 3.41Å; L1021-A1025 VanDerWaalsContact O-CB 3.23Å; L1021-A1025 WeakPolarHBondContact O-CB 3.39Å; L1021-A1025 PolarHBondContact O-N 3.13Å; L1021-V1057 HydrophobicContact CB-CG1 4.04Å; L1021-V1057 HydrophobicContact CD1-CG1 4.06Å; L1021-A1060 HydrophobicContact CD2-CB 3.98Å; L1021-V1061 HydrophobicContact CD1-CG2 3.75Å; L1021-V1061 HydrophobicContact CD2-CG2 3.7Å; L1021-V1061 HydrophobicContact CG-CG2 4.4Å
1022	E	89.8	Confident	90.5	Very high	21 Å²	21	28.1 Å²	28.1	10%	0.098	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-36.9	174.2	-74.6	-175.8	-172.3	0	0	111.2	R953 W1009 F1018 I1024 A1025 H1026 V1057	R953-E1022 IonicContact CZ-OE1 3.93Å; R953-E1022 IonicContact CZ-OE2 3.43Å; R953-E1022 VanDerWaalsContact CZ-OE2 3.24Å; R953-E1022 IonicContact NH1-OE1 3.41Å; R953-E1022 IonicContact NH1-OE2 2.75Å; R953-E1022 PolarHBondContact NH1-OE2 2.84Å; R953-E1022 IonicContact NH2-OE1 3.3Å; R953-E1022 PolarHBondContact NH2-OE1 3.44Å; R953-E1022 IonicContact NH2-OE2 3.28Å; R953-E1022 PolarHBondContact NH2-OE2 3.46Å; W1009-E1022 PolarHBondContact NE1-OE1 3.48Å; F1018-E1022 VanDerWaalsContact O-CB 3.31Å; F1018-E1022 WeakPolarHBondContact O-CB 3.46Å; F1018-E1022 WeakPolarHBondContact O-CG 3.33Å; F1018-E1022 PolarHBondContact O-N 3.25Å; E1022-I1024 PolarHBondContact O-N 3.43Å; E1022-A1025 CarbonylContact O-C 3.23Å; E1022-A1025 VanDerWaalsContact O-C 3.31Å; E1022-A1025 PolarHBondContact O-N 3.47Å; E1022-H1026 WeakPolarHBondContact O-CB 3.42Å; E1022-H1026 PolarHBondContact O-CD2 2.94Å; E1022-H1026 VanDerWaalsContact O-CD2 3.23Å; E1022-H1026 PolarHBondContact O-N 3.25Å; E1022-V1057 HydrophobicContact CG-CG2 4.19Å
1023	S	90.8	Very high	90.7	Very high	54 Å²	54	29.9 Å²	29.9	38%	0.378	18%	0.175	S	C	.	.	H	α-helix	trans	-61.1	-43.8	174	-174.7	0	0	0	0	112.2	N1019 K1020 L1021 A1025 H1026 S1027	N1019-S1023 WeakPolarHBondContact O-CB 3.24Å; N1019-S1023 PolarHBondContact O-N 3.46Å; K1020-S1023 WeakPolarHBondContact O-CB 3.35Å; K1020-S1023 PolarHBondContact O-N 2.97Å; L1021-S1023 VanDerWaalsContact C-N 3.31Å; L1021-S1023 PolarHBondContact O-N 3.22Å; S1023-A1025 VanDerWaalsContact C-N 3.35Å; S1023-H1026 PolarHBondContact O-N 3.2Å; S1023-S1027 PolarHBondContact O-N 2.85Å; S1023-S1027 VanDerWaalsContact O-N 3.13Å
1024	I	90.8	Very high	91.1	Very high	19 Å²	19	29.8 Å²	29.8	10%	0.097	17%	0.174	C	C	.	.	H	α-helix	trans	-64.5	-45.4	174.6	-64.6	166.5	0	0	0	109.3	K1020 L1021 E1022 H1026 S1027 A1060	K1020-I1024 HydrophobicContact CG-CD1 4.41Å; K1020-I1024 WeakPolarHBondContact O-CG1 3.19Å; K1020-I1024 PolarHBondContact O-N 3.38Å; L1021-I1024 PolarHBondContact O-N 3.41Å; E1022-I1024 PolarHBondContact O-N 3.43Å; I1024-H1026 PolarHBondContact O-N 3.46Å; I1024-S1027 WeakPolarHBondContact O-CB 3.35Å; I1024-S1027 PolarHBondContact O-N 3Å; I1024-S1027 PolarHBondContact O-OG 3.3Å; I1024-A1060 HydrophobicContact CG2-CB 4.21Å
1025	A	89.1	Confident	91.4	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-74.8	0.2	179.9	0	0	0	0	0	114.5	L1021 E1022 S1023 I1053 R1056 V1057	L1021-A1025 VanDerWaalsContact O-CB 3.23Å; L1021-A1025 WeakPolarHBondContact O-CB 3.39Å; L1021-A1025 PolarHBondContact O-N 3.13Å; E1022-A1025 CarbonylContact O-C 3.23Å; E1022-A1025 VanDerWaalsContact O-C 3.31Å; E1022-A1025 PolarHBondContact O-N 3.47Å; S1023-A1025 VanDerWaalsContact C-N 3.35Å; A1025-I1053 HydrophobicContact CB-CD1 3.69Å; A1025-I1053 VanDerWaalsContact O-CD1 3.22Å; A1025-I1053 WeakPolarHBondContact O-CD1 3.38Å; A1025-R1056 HydrophobicContact CB-CB 3.8Å; A1025-R1056 PolarHBondContact O-NE 2.85Å; A1025-R1056 PolarHBondContact O-NH1 2.83Å; A1025-R1056 VanDerWaalsContact O-NH1 3.09Å; A1025-R1056 PolarHBondContact O-NH2 2.89Å; A1025-V1057 HydrophobicContact CB-CG2 3.76Å
1026	H	88.9	Confident	91.6	Very high	96 Å²	96	31 Å²	31	44%	0.444	19%	0.187	S	C	.	.	H	α-helix	trans	-114.1	-11.3	168.5	-81.8	-70.5	0	0	0	112.6	E1022 S1023 I1024 D1050	E1022-H1026 WeakPolarHBondContact O-CB 3.42Å; E1022-H1026 PolarHBondContact O-CD2 2.94Å; E1022-H1026 VanDerWaalsContact O-CD2 3.23Å; E1022-H1026 PolarHBondContact O-N 3.25Å; S1023-H1026 PolarHBondContact O-N 3.2Å; I1024-H1026 PolarHBondContact O-N 3.46Å; H1026-D1050 IonicContact CE1-OD1 3.34Å
1027	S	91.2	Very high	91.8	Very high	43 Å²	43	29.9 Å²	29.9	30%	0.301	18%	0.181	S	C	.	.	S	Bend	trans	-56.7	147	175.9	70.8	0	0	0	0	112	S1023 I1024 Q1029 P1030 P1045 R1056	S1023-S1027 PolarHBondContact O-N 2.85Å; S1023-S1027 VanDerWaalsContact O-N 3.13Å; I1024-S1027 WeakPolarHBondContact O-CB 3.35Å; I1024-S1027 PolarHBondContact O-N 3Å; I1024-S1027 PolarHBondContact O-OG 3.3Å; S1027-Q1029 PolarHBondContact O-N 3.33Å; S1027-P1030 WeakPolarHBondContact O-CD 3.4Å; S1027-P1030 WeakPolarHBondContact O-CG 3.49Å; S1027-P1030 WeakPolarHBondContact OG-CA 3.04Å; S1027-P1045 WeakPolarHBondContact O-CG 3.48Å; S1027-R1056 PolarHBondContact O-NH2 3.29Å
1028	A	89	Confident	92	Very high	81 Å²	81	31.1 Å²	31.1	67%	0.669	19%	0.186	S	C	*	.	S	Bend	trans	-59.1	-34.4	-178	0	0	0	0	0	112.6
1029	Q	90.1	Very high	92.2	Very high	116 Å²	116	31 Å²	31	54%	0.542	19%	0.185	S	C	.	.	S	Bend	trans	-130	82.5	177.5	-61	-172	-11.6	0	0	109.2	S1027 A1031 R1038	S1027-Q1029 PolarHBondContact O-N 3.33Å; Q1029-A1031 PolarHBondContact O-N 3.24Å; Q1029-R1038 VanDerWaalsContact CG-NH2 3.26Å
1030	P	93.5	Very high	92.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	18%	0.181	C	C	.	.			trans	-59.9	124.8	-179.1	-22.2	34.1	0	0	0	111	S1027 R1038 I1039 W1059	S1027-P1030 WeakPolarHBondContact O-CD 3.4Å; S1027-P1030 WeakPolarHBondContact O-CG 3.49Å; S1027-P1030 WeakPolarHBondContact OG-CA 3.04Å; P1030-R1038 VanDerWaalsContact O-CA 3.29Å; P1030-R1038 WeakPolarHBondContact O-CA 3.13Å; P1030-I1039 HydrophobicContact CB-CB 4.35Å; P1030-I1039 HydrophobicContact CB-CG2 3.86Å; P1030-I1039 HydrophobicContact CG-CG2 3.95Å; P1030-I1039 PolarHBondContact O-N 3.49Å; P1030-W1059 HydrophobicContact CB-CZ3 4.17Å
1031	A	95.3	Very high	92.2	Very high	30 Å²	30	30.3 Å²	30.3	25%	0.248	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-132.5	152.6	-179.4	0	0	0	0	0	110.5	Q1029 C1037 R1038	Q1029-A1031 PolarHBondContact O-N 3.24Å; A1031-C1037 CarbonylContact C-O 3.5Å; A1031-C1037 VanDerWaalsContact CA-O 3.25Å; A1031-C1037 WeakPolarHBondContact CA-O 3.31Å; A1031-R1038 HydrophobicContact CB-CG 4.27Å
1032	T	95.3	Very high	92.1	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	18%	0.18	C	C	.	.			trans	-66.2	142.7	169.8	60.8	0	0	0	0	109.8	V1034 G1036 C1037 W1059 S1063 D1067	T1032-V1034 VanDerWaalsContact C-N 3.29Å; T1032-V1034 PolarHBondContact O-N 3.27Å; T1032-G1036 WeakPolarHBondContact O-CA 3.45Å; T1032-G1036 PolarHBondContact O-N 3.44Å; T1032-G1036 VanDerWaalsContact O-N 3.08Å; T1032-G1036 PolarHBondContact OG1-N 2.72Å; T1032-C1037 HydrophobicContact CG2-CB 4.28Å; T1032-C1037 PolarHBondContact N-O 2.74Å; T1032-C1037 PolarHBondContact OG1-N 3.33Å; T1032-W1059 HydrophobicContact CG2-CH2 4.08Å; T1032-W1059 HydrophobicContact CG2-CZ2 4.25Å; T1032-S1063 VanDerWaalsContact CG2-OG 3.32Å; T1032-S1063 WeakPolarHBondContact CG2-OG 3.3Å; T1032-D1067 WeakPolarHBondContact CB-OD2 3.23Å; T1032-D1067 PolarHBondContact OG1-OD2 2.77Å
1033	P	91.8	Very high	92.1	Very high	39 Å²	39	29.4 Å²	29.4	25%	0.253	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-17.1	-172.1	27.1	-31.3	0	0	0	113.8	L862 S1064 L1128	L862-P1033 HydrophobicContact CD1-CG 4.48Å; L862-P1033 HydrophobicContact CD2-CB 4.01Å; L862-P1033 HydrophobicContact CD2-CG 3.48Å; L862-P1033 VanDerWaalsContact CD2-CG 3.48Å; P1033-S1064 WeakPolarHBondContact CD-OG 3.34Å; P1033-L1128 HydrophobicContact CB-CD2 3.87Å; P1033-L1128 HydrophobicContact CG-CD2 4.45Å
1034	V	93.5	Very high	92.1	Very high	14 Å²	14	28 Å²	28	9%	0.085	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-59.7	-176.2	-176.1	0	0	0	0	111.8	T1032 L1071 M1123 F1124 A1127	T1032-V1034 VanDerWaalsContact C-N 3.29Å; T1032-V1034 PolarHBondContact O-N 3.27Å; V1034-L1071 HydrophobicContact CG1-CD1 4.22Å; V1034-M1123 HydrophobicContact CG1-CE 4.25Å; V1034-M1123 HydrophobicContact CG1-CG 4.31Å; V1034-F1124 HydrophobicContact CB-CE1 4.46Å; V1034-F1124 HydrophobicContact CB-CZ 4.41Å; V1034-F1124 HydrophobicContact CG1-CD2 4.17Å; V1034-F1124 HydrophobicContact CG1-CE2 4.2Å; V1034-F1124 HydrophobicContact CG2-CD1 3.49Å; V1034-F1124 VanDerWaalsContact CG2-CD1 3.49Å; V1034-F1124 HydrophobicContact CG2-CD2 4.2Å; V1034-F1124 HydrophobicContact CG2-CE1 3.55Å; V1034-F1124 HydrophobicContact CG2-CE2 4.28Å; V1034-F1124 HydrophobicContact CG2-CG 3.82Å; V1034-F1124 HydrophobicContact CG2-CZ 3.95Å; V1034-A1127 HydrophobicContact CB-CB 4.38Å; V1034-A1127 HydrophobicContact CG1-CB 4.1Å; V1034-A1127 HydrophobicContact CG2-CB 4.31Å
1035	L	95.1	Very high	91.9	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.021	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-0.6	-178.2	-58.2	-173.8	0	0	0	113.8	H391 V393 C1037 D1067 L1071	H391-L1035 HydrophobicContact CB-CB 3.99Å; H391-L1035 HydrophobicContact CB-CD2 4.3Å; H391-L1035 VanDerWaalsContact CB-O 3.27Å; H391-L1035 WeakPolarHBondContact CB-O 3.35Å; V393-L1035 HydrophobicContact CB-CD1 4.2Å; V393-L1035 HydrophobicContact CB-CD2 4.36Å; V393-L1035 HydrophobicContact CG1-CD1 3.84Å; V393-L1035 HydrophobicContact CG1-CD2 4.49Å; L1035-C1037 VanDerWaalsContact C-N 3.28Å; L1035-C1037 PolarHBondContact O-N 3.22Å; L1035-D1067 HydrophobicContact CB-CB 4.38Å; L1035-D1067 HydrophobicContact CD1-CB 3.61Å; L1035-D1067 HydrophobicContact CG-CB 3.75Å; L1035-L1071 HydrophobicContact CD2-CD1 4.5Å; L1035-L1071 HydrophobicContact CD2-CD2 4.33Å; L1035-L1071 HydrophobicContact CD2-CG 4.49Å
1036	G	94.8	Very high	91.8	Very high	26 Å²	26	37.6 Å²	37.6	27%	0.268	21%	0.206	S	C	.	.			trans	69.6	21.4	176.7	0	0	0	0	0	114.3	P390 T1032 R1038	P390-G1036 WeakPolarHBondContact CD-O 3.21Å; T1032-G1036 WeakPolarHBondContact O-CA 3.45Å; T1032-G1036 PolarHBondContact O-N 3.44Å; T1032-G1036 VanDerWaalsContact O-N 3.08Å; T1032-G1036 PolarHBondContact OG1-N 2.72Å; G1036-R1038 PolarHBondContact O-N 3.18Å
1037	C	95.1	Very high	91.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-75.3	125.2	-175.9	-57.7	0	0	0	0	111	R388 T394 R812 A1031 T1032 L1035 W1059	R388-C1037 CarbonylContact O-C 3.56Å; R388-C1037 WeakPolarHBondContact O-CA 3.4Å; T394-C1037 PolarHBondContact OG1-SG 3.01Å; R812-C1037 VanDerWaalsContact CZ-CB 3.41Å; R812-C1037 PolarHBondContact NH1-SG 3.3Å; A1031-C1037 CarbonylContact C-O 3.5Å; A1031-C1037 VanDerWaalsContact CA-O 3.25Å; A1031-C1037 WeakPolarHBondContact CA-O 3.31Å; T1032-C1037 HydrophobicContact CG2-CB 4.28Å; T1032-C1037 PolarHBondContact N-O 2.74Å; T1032-C1037 PolarHBondContact OG1-N 3.33Å; L1035-C1037 VanDerWaalsContact C-N 3.28Å; L1035-C1037 PolarHBondContact O-N 3.22Å; C1037-W1059 VanDerWaalsContact O-CH2 3.24Å; C1037-W1059 WeakPolarHBondContact O-CH2 3.36Å; C1037-W1059 WeakPolarHBondContact O-CZ2 3.27Å
1038	R	95	Very high	91.2	Very high	27 Å²	27	31.3 Å²	31.3	10%	0.102	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-81.2	148.9	-175.3	-64.7	178.2	65.4	-174.1	-2.9	112.6	E387 R388 Q1029 P1030 A1031 G1036 E1044	E387-R1038 IonicContact OE1-NH1 3.67Å; E387-R1038 PolarHBondContact OE1-NH1 3.24Å; R388-R1038 HydrophobicContact CB-CB 4.26Å; R388-R1038 HydrophobicContact CG-CB 4.44Å; R388-R1038 PolarHBondContact O-N 3.35Å; Q1029-R1038 VanDerWaalsContact CG-NH2 3.26Å; P1030-R1038 VanDerWaalsContact O-CA 3.29Å; P1030-R1038 WeakPolarHBondContact O-CA 3.13Å; A1031-R1038 HydrophobicContact CB-CG 4.27Å; G1036-R1038 PolarHBondContact O-N 3.18Å; R1038-E1044 IonicContact CZ-OE1 3.36Å; R1038-E1044 IonicContact NE-OE1 3.48Å; R1038-E1044 IonicContact NH2-OE1 3.04Å; R1038-E1044 PolarHBondContact NH2-OE1 3.43Å
1039	I	93.4	Very high	90.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-65.2	161.3	173.7	-163	167.3	0	0	0	111.3	R388 P1030 L1043 E1044 R1056 W1059	R388-I1039 PolarHBondContact NE-O 3.33Å; R388-I1039 PolarHBondContact NH2-O 3.34Å; P1030-I1039 HydrophobicContact CB-CB 4.35Å; P1030-I1039 HydrophobicContact CB-CG2 3.86Å; P1030-I1039 HydrophobicContact CG-CG2 3.95Å; P1030-I1039 PolarHBondContact O-N 3.49Å; I1039-L1043 HydrophobicContact CD1-CB 3.68Å; I1039-L1043 HydrophobicContact CD1-CD1 3.84Å; I1039-L1043 HydrophobicContact CD1-CG 4.46Å; I1039-L1043 HydrophobicContact CG1-CB 3.96Å; I1039-L1043 HydrophobicContact CG1-CD1 4.14Å; I1039-E1044 HydrophobicContact CG2-CG 4.03Å; I1039-R1056 HydrophobicContact CD1-CB 4.32Å; I1039-R1056 HydrophobicContact CD1-CG 3.88Å; I1039-W1059 HydrophobicContact CB-CD2 3.94Å; I1039-W1059 HydrophobicContact CB-CE3 4.07Å; I1039-W1059 HydrophobicContact CB-CH2 3.82Å; I1039-W1059 HydrophobicContact CB-CZ2 3.68Å; I1039-W1059 HydrophobicContact CB-CZ3 4.01Å; I1039-W1059 HydrophobicContact CD1-CB 4.13Å; I1039-W1059 HydrophobicContact CD1-CD2 3.69Å; I1039-W1059 HydrophobicContact CD1-CE3 3.9Å; I1039-W1059 HydrophobicContact CD1-CG 3.77Å; I1039-W1059 HydrophobicContact CG1-CD2 3.66Å; I1039-W1059 HydrophobicContact CG1-CE3 4.13Å; I1039-W1059 HydrophobicContact CG1-CG 3.9Å; I1039-W1059 HydrophobicContact CG1-CZ2 4.2Å; I1039-W1059 VanDerWaalsContact N-CZ2 3.27Å
1040	S	92.1	Very high	89.9	Confident	1 Å²	1	33.3 Å²	33.3	1%	0.007	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-53.1	142	172	168.6	0	0	0	0	112.3	I272 S273 G274 A1042 L1043 E1044	I272-S1040 WeakPolarHBondContact O-CA 3.5Å; S273-S1040 VanDerWaalsContact C-OG 3.22Å; S273-S1040 WeakPolarHBondContact CA-OG 3.39Å; G274-S1040 PolarHBondContact N-OG 3.02Å; G274-S1040 VanDerWaalsContact N-OG 3.15Å; G274-S1040 WeakPolarHBondContact O-CB 3.45Å; G274-S1040 PolarHBondContact O-OG 2.77Å; S1040-A1042 PolarHBondContact O-N 3.05Å; S1040-A1042 VanDerWaalsContact O-N 3.12Å; S1040-A1042 PolarHBondContact OG-N 3.42Å; S1040-L1043 PolarHBondContact O-N 3.28Å; S1040-E1044 PolarHBondContact O-N 3.3Å
1041	R	91.6	Very high	89	Confident	61 Å²	61	36.9 Å²	36.9	23%	0.23	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-51.2	-35.8	176.3	-72	-172.1	-66.6	-178.7	4.9	112.6	I272 S273 R388 L1043 E1044 A1047	I272-R1041 WeakPolarHBondContact O-CG 3.24Å; I272-R1041 PolarHBondContact O-N 3.3Å; S273-R1041 VanDerWaalsContact OG-CZ 3.22Å; S273-R1041 PolarHBondContact OG-NE 2.95Å; S273-R1041 PolarHBondContact OG-NH2 3.23Å; R388-R1041 VanDerWaalsContact CZ-CG 3.42Å; R1041-L1043 PolarHBondContact O-N 3.47Å; R1041-E1044 PolarHBondContact O-N 2.81Å; R1041-A1047 WeakPolarHBondContact O-CB 3.43Å
1042	A	88.6	Confident	88.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-70.6	-9.2	-178.8	0	0	0	0	0	114.2	L275 Q279 S1040 V1048	L275-A1042 HydrophobicContact CD2-CB 3.94Å; Q279-A1042 PolarHBondContact NE2-O 2.87Å; Q279-A1042 VanDerWaalsContact NE2-O 3.1Å; S1040-A1042 PolarHBondContact O-N 3.05Å; S1040-A1042 VanDerWaalsContact O-N 3.12Å; S1040-A1042 PolarHBondContact OG-N 3.42Å; A1042-V1048 WeakPolarHBondContact O-CG1 3.44Å
1043	L	89.5	Confident	87.7	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-119.9	3.7	179	-71.3	176.9	0	0	0	113	T276 V810 I1039 S1040 R1041 F1052 R1056	T276-L1043 HydrophobicContact CG2-CD1 3.83Å; T276-L1043 HydrophobicContact CG2-CD2 4.31Å; V810-L1043 HydrophobicContact CG1-CD1 3.67Å; I1039-L1043 HydrophobicContact CD1-CB 3.68Å; I1039-L1043 HydrophobicContact CD1-CD1 3.84Å; I1039-L1043 HydrophobicContact CD1-CG 4.46Å; I1039-L1043 HydrophobicContact CG1-CB 3.96Å; I1039-L1043 HydrophobicContact CG1-CD1 4.14Å; S1040-L1043 PolarHBondContact O-N 3.28Å; R1041-L1043 PolarHBondContact O-N 3.47Å; L1043-F1052 HydrophobicContact CD2-CB 3.93Å; L1043-F1052 HydrophobicContact CD2-CG 4.29Å; L1043-R1056 WeakPolarHBondContact O-CD 3.15Å; L1043-R1056 PolarHBondContact O-NE 3.01Å
1044	E	90.1	Very high	87.3	Confident	24 Å²	24	41 Å²	41	11%	0.112	20%	0.204	C	C	.	.	S	Bend	trans	-65.9	144.9	173.4	-72.2	-172.2	158.1	0	0	110.3	R388 R1038 I1039 S1040 R1041 K1046 A1047 V1048	R388-E1044 IonicContact CZ-OE1 2.96Å; R388-E1044 IonicContact NH1-OE1 3.14Å; R388-E1044 VanDerWaalsContact NH2-CD 3.3Å; R388-E1044 IonicContact NH2-OE1 3.91Å; R388-E1044 PolarHBondContact NH2-OE1 3.33Å; R1038-E1044 IonicContact CZ-OE1 3.36Å; R1038-E1044 IonicContact NE-OE1 3.48Å; R1038-E1044 IonicContact NH2-OE1 3.04Å; R1038-E1044 PolarHBondContact NH2-OE1 3.43Å; I1039-E1044 HydrophobicContact CG2-CG 4.03Å; S1040-E1044 PolarHBondContact O-N 3.3Å; R1041-E1044 PolarHBondContact O-N 2.81Å; E1044-K1046 PolarHBondContact O-N 3.18Å; E1044-K1046 VanDerWaalsContact O-N 3.08Å; E1044-A1047 WeakPolarHBondContact O-CA 3.43Å; E1044-A1047 VanDerWaalsContact O-CB 3.3Å; E1044-A1047 WeakPolarHBondContact O-CB 3.49Å; E1044-A1047 PolarHBondContact O-N 3.42Å; E1044-V1048 WeakPolarHBondContact O-CG2 3.19Å; E1044-V1048 PolarHBondContact O-N 2.72Å; E1044-V1048 VanDerWaalsContact O-N 3.08Å
1045	P	88	Confident	86.9	Confident	26 Å²	26	42 Å²	42	17%	0.169	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-24.3	-179.4	12.3	-16.5	0	0	0	112.9	S1027 A1047 K1049 R1056	S1027-P1045 WeakPolarHBondContact O-CG 3.48Å; P1045-A1047 PolarHBondContact O-N 3.47Å; P1045-K1049 WeakPolarHBondContact O-CA 3.21Å; P1045-K1049 PolarHBondContact O-N 2.82Å; P1045-R1056 VanDerWaalsContact CG-NH2 3.27Å
1046	K	86.9	Confident	86.6	Confident	195 Å²	195	41.9 Å²	41.9	85%	0.848	21%	0.211	S	C	*	.	H	α-helix	trans	-60.1	-33.6	171	-172.4	-180	178.4	-175.7	0	112.5	E1044	E1044-K1046 PolarHBondContact O-N 3.18Å; E1044-K1046 VanDerWaalsContact O-N 3.08Å
1047	A	83.3	Confident	86.3	Confident	4 Å²	4	41 Å²	41	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-87.2	-49.3	-177.4	0	0	0	0	0	112.5	W318 M321 R1041 E1044 P1045	W318-A1047 HydrophobicContact CB-CB 4.09Å; M321-A1047 HydrophobicContact CE-CB 3.21Å; R1041-A1047 WeakPolarHBondContact O-CB 3.43Å; E1044-A1047 WeakPolarHBondContact O-CA 3.43Å; E1044-A1047 VanDerWaalsContact O-CB 3.3Å; E1044-A1047 WeakPolarHBondContact O-CB 3.49Å; E1044-A1047 PolarHBondContact O-N 3.42Å; P1045-A1047 PolarHBondContact O-N 3.47Å
1048	V	82.3	Confident	86	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-107.7	-5.8	-170.1	-63	0	0	0	0	114.3	W318 A1042 E1044 D1050 E1051 F1052	W318-V1048 HydrophobicContact CB-CG1 4.13Å; W318-V1048 HydrophobicContact CG-CG1 4.04Å; A1042-V1048 WeakPolarHBondContact O-CG1 3.44Å; E1044-V1048 WeakPolarHBondContact O-CG2 3.19Å; E1044-V1048 PolarHBondContact O-N 2.72Å; E1044-V1048 VanDerWaalsContact O-N 3.08Å; V1048-D1050 PolarHBondContact O-N 2.86Å; V1048-E1051 HydrophobicContact CB-CB 4.37Å; V1048-E1051 WeakPolarHBondContact CG2-O 3.3Å; V1048-E1051 WeakPolarHBondContact O-CB 3.44Å; V1048-E1051 PolarHBondContact O-N 3.02Å; V1048-F1052 HydrophobicContact CB-CD2 4.09Å; V1048-F1052 HydrophobicContact CG1-CD2 3.93Å; V1048-F1052 HydrophobicContact CG1-CE2 4.34Å
1049	K	79.9	Confident	85.8	Confident	121 Å²	121	41.7 Å²	41.7	53%	0.526	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	-121.7	-172.5	-55.2	179.3	-179.4	179.3	0	110.7	P1045	P1045-K1049 WeakPolarHBondContact O-CA 3.21Å; P1045-K1049 PolarHBondContact O-N 2.82Å
1050	D	71.9	Confident	85.8	Confident	119 Å²	119	41.7 Å²	41.7	64%	0.636	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	0.7	179.3	-63.9	-40.5	0	0	0	113.4	H1026 V1048	H1026-D1050 IonicContact CE1-OD1 3.34Å; V1048-D1050 PolarHBondContact O-N 2.86Å
1051	E	76.3	Confident	85.7	Confident	75 Å²	75	41.6 Å²	41.6	35%	0.35	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	153.3	176.2	-60.5	-175.8	179	0	0	111.2	V1048 I1053	V1048-E1051 HydrophobicContact CB-CB 4.37Å; V1048-E1051 WeakPolarHBondContact CG2-O 3.3Å; V1048-E1051 WeakPolarHBondContact O-CB 3.44Å; V1048-E1051 PolarHBondContact O-N 3.02Å; E1051-I1053 VanDerWaalsContact C-N 3.27Å; E1051-I1053 PolarHBondContact O-N 3.36Å
1052	F	80.6	Confident	85.7	Confident	36 Å²	36	40 Å²	40	16%	0.158	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	23.7	178.1	-50.8	-72.2	0	0	0	116.1	F278 Q279 L282 L1043 V1048 T1054 S1055 R1056	F278-F1052 AromaticContact CD1-CE1 3.6Å; F278-F1052 HydrophobicContact CD1-CE1 3.6Å; F278-F1052 HydrophobicContact CD1-CZ 4.23Å; F278-F1052 AromaticContact CE1-CE1 3.85Å; F278-F1052 HydrophobicContact CE1-CE1 3.85Å; F278-F1052 HydrophobicContact CE1-CZ 4.25Å; Q279-F1052 HydrophobicContact CG-CE1 4.31Å; Q279-F1052 HydrophobicContact CG-CE2 4.4Å; Q279-F1052 HydrophobicContact CG-CZ 4.13Å; L282-F1052 HydrophobicContact CD1-CZ 4.25Å; L1043-F1052 HydrophobicContact CD2-CB 3.93Å; L1043-F1052 HydrophobicContact CD2-CG 4.29Å; V1048-F1052 HydrophobicContact CB-CD2 4.09Å; V1048-F1052 HydrophobicContact CG1-CD2 3.93Å; V1048-F1052 HydrophobicContact CG1-CE2 4.34Å; F1052-T1054 PolarHBondContact O-N 3.07Å; F1052-S1055 WeakPolarHBondContact O-CB 3.41Å; F1052-S1055 PolarHBondContact O-N 2.95Å; F1052-R1056 PolarHBondContact O-N 3.47Å; F1052-R1056 VanDerWaalsContact O-N 3.08Å
1053	I	82.8	Confident	86	Confident	46 Å²	46	40 Å²	40	24%	0.236	20%	0.2	C	C	.	.	H	α-helix	trans	-55	-38.4	178.3	-169	63.7	0	0	0	112.9	A1025 E1051 S1055 R1056 V1057	A1025-I1053 HydrophobicContact CB-CD1 3.69Å; A1025-I1053 VanDerWaalsContact O-CD1 3.22Å; A1025-I1053 WeakPolarHBondContact O-CD1 3.38Å; E1051-I1053 VanDerWaalsContact C-N 3.27Å; E1051-I1053 PolarHBondContact O-N 3.36Å; I1053-S1055 VanDerWaalsContact C-N 3.34Å; I1053-S1055 PolarHBondContact O-N 2.86Å; I1053-R1056 PolarHBondContact O-N 3.36Å; I1053-R1056 VanDerWaalsContact O-N 3.16Å; I1053-V1057 HydrophobicContact CG1-CG2 4.45Å; I1053-V1057 WeakPolarHBondContact O-CG2 3.37Å; I1053-V1057 PolarHBondContact O-N 3.13Å
1054	T	82.1	Confident	86.3	Confident	76 Å²	76	39.9 Å²	39.9	47%	0.466	20%	0.2	S	C	.	.	H	α-helix	trans	-62.3	-40.9	177.1	52.6	0	0	0	0	111.8	G916 F1052 R1056 N1058	G916-T1054 WeakPolarHBondContact O-CG2 3.17Å; F1052-T1054 PolarHBondContact O-N 3.07Å; T1054-R1056 VanDerWaalsContact C-N 3.34Å; T1054-R1056 PolarHBondContact O-N 3.46Å; T1054-N1058 WeakPolarHBondContact O-CB 3.46Å; T1054-N1058 PolarHBondContact O-N 3.09Å
1055	S	85.8	Confident	86.4	Confident	36 Å²	36	39 Å²	39	25%	0.252	20%	0.196	S	C	.	.	H	α-helix	trans	-66.2	-35.8	175.1	-54.1	0	0	0	0	112.2	F1052 I1053 W1059	F1052-S1055 WeakPolarHBondContact O-CB 3.41Å; F1052-S1055 PolarHBondContact O-N 2.95Å; I1053-S1055 VanDerWaalsContact C-N 3.34Å; I1053-S1055 PolarHBondContact O-N 2.86Å; S1055-W1059 VanDerWaalsContact O-CB 3.29Å; S1055-W1059 WeakPolarHBondContact O-CB 3.27Å; S1055-W1059 PolarHBondContact O-N 2.67Å
1056	R	88.9	Confident	86.8	Confident	2 Å²	2	38.1 Å²	38.1	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-71.6	-40.2	177.8	-64.9	174.6	63.3	-170.8	-2.8	112.5	A1025 S1027 I1039 L1043 P1045 F1052 I1053 T1054 W1059 A1060	A1025-R1056 HydrophobicContact CB-CB 3.8Å; A1025-R1056 PolarHBondContact O-NE 2.85Å; A1025-R1056 PolarHBondContact O-NH1 2.83Å; A1025-R1056 VanDerWaalsContact O-NH1 3.09Å; A1025-R1056 PolarHBondContact O-NH2 2.89Å; S1027-R1056 PolarHBondContact O-NH2 3.29Å; I1039-R1056 HydrophobicContact CD1-CB 4.32Å; I1039-R1056 HydrophobicContact CD1-CG 3.88Å; L1043-R1056 WeakPolarHBondContact O-CD 3.15Å; L1043-R1056 PolarHBondContact O-NE 3.01Å; P1045-R1056 VanDerWaalsContact CG-NH2 3.27Å; F1052-R1056 PolarHBondContact O-N 3.47Å; F1052-R1056 VanDerWaalsContact O-N 3.08Å; I1053-R1056 PolarHBondContact O-N 3.36Å; I1053-R1056 VanDerWaalsContact O-N 3.16Å; T1054-R1056 VanDerWaalsContact C-N 3.34Å; T1054-R1056 PolarHBondContact O-N 3.46Å; R1056-W1059 WeakPolarHBondContact O-CB 3.44Å; R1056-W1059 PolarHBondContact O-N 2.97Å; R1056-A1060 PolarHBondContact O-N 3.18Å; R1056-A1060 VanDerWaalsContact O-N 3.13Å
1057	V	88.1	Confident	87.2	Confident	7 Å²	7	28.9 Å²	28.9	4%	0.042	15%	0.15	C	C	.	.	H	α-helix	trans	-62.2	-48	173.5	166.8	0	0	0	0	110.4	L1021 E1022 A1025 I1053 W1059 A1060	L1021-V1057 HydrophobicContact CB-CG1 4.04Å; L1021-V1057 HydrophobicContact CD1-CG1 4.06Å; E1022-V1057 HydrophobicContact CG-CG2 4.19Å; A1025-V1057 HydrophobicContact CB-CG2 3.76Å; I1053-V1057 HydrophobicContact CG1-CG2 4.45Å; I1053-V1057 WeakPolarHBondContact O-CG2 3.37Å; I1053-V1057 PolarHBondContact O-N 3.13Å; V1057-W1059 VanDerWaalsContact C-N 3.3Å; V1057-W1059 PolarHBondContact O-N 3.17Å; V1057-A1060 PolarHBondContact O-N 3.47Å
1058	N	88	Confident	87.8	Confident	37 Å²	37	28.7 Å²	28.7	20%	0.198	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-44.2	174.8	-175.1	18.3	0	0	0	112	Y915 T1054 A1060 V1061 Q1062	Y915-N1058 WeakPolarHBondContact CD1-OD1 3.46Å; T1054-N1058 WeakPolarHBondContact O-CB 3.46Å; T1054-N1058 PolarHBondContact O-N 3.09Å; N1058-A1060 VanDerWaalsContact C-N 3.29Å; N1058-A1060 PolarHBondContact O-N 3.12Å; N1058-V1061 PolarHBondContact O-N 3.47Å; N1058-Q1062 PolarHBondContact O-N 3.46Å; N1058-Q1062 VanDerWaalsContact O-N 3.12Å; N1058-Q1062 WeakPolarHBondContact OD1-CG 3.43Å; N1058-Q1062 PolarHBondContact OD1-NE2 2.93Å
1059	W	92.4	Very high	88.5	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-58.1	-39.6	178.8	172.1	91.7	0	0	0	112.6	V810 T811 P1030 T1032 C1037 I1039 S1055 R1056 V1057 V1061 Q1062 S1063	V810-W1059 PolarHBondContact O-NE1 3.29Å; V810-W1059 VanDerWaalsContact O-NE1 3.11Å; T811-W1059 HydrophobicContact CG2-CB 4.26Å; T811-W1059 HydrophobicContact CG2-CG 4.42Å; P1030-W1059 HydrophobicContact CB-CZ3 4.17Å; T1032-W1059 HydrophobicContact CG2-CH2 4.08Å; T1032-W1059 HydrophobicContact CG2-CZ2 4.25Å; C1037-W1059 VanDerWaalsContact O-CH2 3.24Å; C1037-W1059 WeakPolarHBondContact O-CH2 3.36Å; C1037-W1059 WeakPolarHBondContact O-CZ2 3.27Å; I1039-W1059 HydrophobicContact CB-CD2 3.94Å; I1039-W1059 HydrophobicContact CB-CE3 4.07Å; I1039-W1059 HydrophobicContact CB-CH2 3.82Å; I1039-W1059 HydrophobicContact CB-CZ2 3.68Å; I1039-W1059 HydrophobicContact CB-CZ3 4.01Å; I1039-W1059 HydrophobicContact CD1-CB 4.13Å; I1039-W1059 HydrophobicContact CD1-CD2 3.69Å; I1039-W1059 HydrophobicContact CD1-CE3 3.9Å; I1039-W1059 HydrophobicContact CD1-CG 3.77Å; I1039-W1059 HydrophobicContact CG1-CD2 3.66Å; I1039-W1059 HydrophobicContact CG1-CE3 4.13Å; I1039-W1059 HydrophobicContact CG1-CG 3.9Å; I1039-W1059 HydrophobicContact CG1-CZ2 4.2Å; I1039-W1059 VanDerWaalsContact N-CZ2 3.27Å; S1055-W1059 VanDerWaalsContact O-CB 3.29Å; S1055-W1059 WeakPolarHBondContact O-CB 3.27Å; S1055-W1059 PolarHBondContact O-N 2.67Å; R1056-W1059 WeakPolarHBondContact O-CB 3.44Å; R1056-W1059 PolarHBondContact O-N 2.97Å; V1057-W1059 VanDerWaalsContact C-N 3.3Å; V1057-W1059 PolarHBondContact O-N 3.17Å; W1059-V1061 VanDerWaalsContact C-N 3.34Å; W1059-V1061 PolarHBondContact O-N 2.92Å; W1059-Q1062 PolarHBondContact O-N 3.32Å; W1059-S1063 WeakPolarHBondContact O-CA 3.22Å; W1059-S1063 WeakPolarHBondContact O-CB 3.25Å; W1059-S1063 PolarHBondContact O-N 3.48Å
1060	A	92.2	Very high	89.3	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-41.8	-177.8	0	0	0	0	0	112.6	L1021 I1024 R1056 V1057 N1058 S1064	L1021-A1060 HydrophobicContact CD2-CB 3.98Å; I1024-A1060 HydrophobicContact CG2-CB 4.21Å; R1056-A1060 PolarHBondContact O-N 3.18Å; R1056-A1060 VanDerWaalsContact O-N 3.13Å; V1057-A1060 PolarHBondContact O-N 3.47Å; N1058-A1060 VanDerWaalsContact C-N 3.29Å; N1058-A1060 PolarHBondContact O-N 3.12Å; A1060-S1064 WeakPolarHBondContact O-CB 3.43Å; A1060-S1064 PolarHBondContact O-N 2.94Å; A1060-S1064 PolarHBondContact O-OG 2.8Å
1061	V	91.6	Very high	90.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-74.7	-51.4	177.7	-179	0	0	0	0	110.8	E855 A859 I914 L1021 N1058 W1059 S1063 S1064 A1065	E855-V1061 HydrophobicContact CB-CG1 4.07Å; A859-V1061 HydrophobicContact CB-CG2 4.46Å; I914-V1061 HydrophobicContact CG2-CG2 4.48Å; L1021-V1061 HydrophobicContact CD1-CG2 3.75Å; L1021-V1061 HydrophobicContact CD2-CG2 3.7Å; L1021-V1061 HydrophobicContact CG-CG2 4.4Å; N1058-V1061 PolarHBondContact O-N 3.47Å; W1059-V1061 VanDerWaalsContact C-N 3.34Å; W1059-V1061 PolarHBondContact O-N 2.92Å; V1061-S1063 PolarHBondContact O-N 3.28Å; V1061-S1064 WeakPolarHBondContact O-CB 3.45Å; V1061-S1064 PolarHBondContact O-N 3.19Å; V1061-S1064 VanDerWaalsContact O-N 3.16Å; V1061-A1065 PolarHBondContact O-N 3.17Å
1062	Q	91.4	Very high	91.4	Very high	27 Å²	27	14.8 Å²	14.8	13%	0.126	8%	0.082	C	C	.	.	H	α-helix	trans	-65.5	-38.7	-174.7	-67.7	-168.4	-4.2	0	0	113	T811 Y915 N1058 W1059 S1064 A1065 V1066	T811-Q1062 HydrophobicContact CG2-CB 3.83Å; Y915-Q1062 HydrophobicContact CD1-CG 4.36Å; Y915-Q1062 HydrophobicContact CE1-CG 3.89Å; N1058-Q1062 PolarHBondContact O-N 3.46Å; N1058-Q1062 VanDerWaalsContact O-N 3.12Å; N1058-Q1062 WeakPolarHBondContact OD1-CG 3.43Å; N1058-Q1062 PolarHBondContact OD1-NE2 2.93Å; W1059-Q1062 PolarHBondContact O-N 3.32Å; Q1062-S1064 VanDerWaalsContact C-N 3.33Å; Q1062-A1065 WeakPolarHBondContact O-CB 3.46Å; Q1062-A1065 PolarHBondContact O-N 3.48Å; Q1062-V1066 PolarHBondContact O-N 2.93Å
1063	S	93.9	Very high	92.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-70.1	-32.3	176.8	-169.4	0	0	0	0	111.2	T811 R812 T1032 W1059 V1061 V1066 D1067	T811-S1063 WeakPolarHBondContact O-CA 3.44Å; R812-S1063 PolarHBondContact NE-OG 2.95Å; R812-S1063 VanDerWaalsContact NE-OG 3.13Å; R812-S1063 PolarHBondContact NH2-O 2.79Å; R812-S1063 PolarHBondContact NH2-OG 3.08Å; T1032-S1063 VanDerWaalsContact CG2-OG 3.32Å; T1032-S1063 WeakPolarHBondContact CG2-OG 3.3Å; W1059-S1063 WeakPolarHBondContact O-CA 3.22Å; W1059-S1063 WeakPolarHBondContact O-CB 3.25Å; W1059-S1063 PolarHBondContact O-N 3.48Å; V1061-S1063 PolarHBondContact O-N 3.28Å; S1063-V1066 WeakPolarHBondContact O-CB 3.17Å; S1063-V1066 PolarHBondContact O-N 3.41Å; S1063-D1067 PolarHBondContact O-N 2.94Å
1064	S	94.8	Very high	92.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-69.8	-32.4	172	-58.3	0	0	0	0	112	P1033 A1060 V1061 Q1062 V1066 D1067 Y1068 F1124	P1033-S1064 WeakPolarHBondContact CD-OG 3.34Å; A1060-S1064 WeakPolarHBondContact O-CB 3.43Å; A1060-S1064 PolarHBondContact O-N 2.94Å; A1060-S1064 PolarHBondContact O-OG 2.8Å; V1061-S1064 WeakPolarHBondContact O-CB 3.45Å; V1061-S1064 PolarHBondContact O-N 3.19Å; V1061-S1064 VanDerWaalsContact O-N 3.16Å; Q1062-S1064 VanDerWaalsContact C-N 3.33Å; S1064-V1066 VanDerWaalsContact C-N 3.27Å; S1064-V1066 PolarHBondContact O-N 3.4Å; S1064-D1067 WeakPolarHBondContact O-CB 3.47Å; S1064-D1067 PolarHBondContact O-N 3.46Å; S1064-Y1068 PolarHBondContact O-N 3.36Å; S1064-Y1068 VanDerWaalsContact O-N 3.1Å; S1064-F1124 WeakPolarHBondContact O-CZ 3.42Å
1065	A	93.9	Very high	93.6	Very high	5 Å²	5	7.4 Å²	7.4	4%	0.041	4%	0.042	C	C	.	.	H	α-helix	trans	-64.6	-33	172	0	0	0	0	0	112.3	E855 I858 V1061 Q1062 Y1068 L1069	E855-A1065 HydrophobicContact CG-CB 4.09Å; I858-A1065 HydrophobicContact CD1-CB 4.19Å; V1061-A1065 PolarHBondContact O-N 3.17Å; Q1062-A1065 WeakPolarHBondContact O-CB 3.46Å; Q1062-A1065 PolarHBondContact O-N 3.48Å; A1065-Y1068 VanDerWaalsContact O-CB 3.26Å; A1065-Y1068 WeakPolarHBondContact O-CB 3.36Å; A1065-Y1068 PolarHBondContact O-N 3.06Å; A1065-L1069 PolarHBondContact O-N 2.92Å; A1065-L1069 VanDerWaalsContact O-N 3.14Å
1066	V	94.9	Very high	94.1	Very high	8 Å²	8	5.7 Å²	5.7	5%	0.048	3%	0.03	C	C	.	.	H	α-helix	trans	-67.2	-37.9	172	176.7	0	0	0	0	111.5	R812 R813 Q1062 S1063 S1064 Y1068 L1069 H1070	R812-V1066 HydrophobicContact CB-CG1 4.2Å; R813-V1066 HydrophobicContact CB-CG2 4.42Å; R813-V1066 HydrophobicContact CG-CG2 3.63Å; Q1062-V1066 PolarHBondContact O-N 2.93Å; S1063-V1066 WeakPolarHBondContact O-CB 3.17Å; S1063-V1066 PolarHBondContact O-N 3.41Å; S1064-V1066 VanDerWaalsContact C-N 3.27Å; S1064-V1066 PolarHBondContact O-N 3.4Å; V1066-Y1068 PolarHBondContact O-N 2.81Å; V1066-L1069 PolarHBondContact O-N 3.43Å; V1066-H1070 VanDerWaalsContact CG1-CE1 3.4Å; V1066-H1070 WeakPolarHBondContact CG1-CE1 3.31Å; V1066-H1070 PolarHBondContact O-N 3.27Å; V1066-H1070 PolarHBondContact O-ND1 2.94Å
1067	D	96.6	Very high	94.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-59.1	-39	172.9	-69.4	-11.9	0	0	0	111.7	R812 T1032 L1035 S1063 S1064 H1070 L1071 F1124	R812-D1067 IonicContact CZ-OD1 3.54Å; R812-D1067 IonicContact NH1-OD1 3.33Å; R812-D1067 PolarHBondContact NH1-OD1 2.9Å; R812-D1067 IonicContact NH2-OD1 3.5Å; R812-D1067 PolarHBondContact NH2-OD1 3.15Å; R812-D1067 IonicContact NH2-OD2 2.68Å; T1032-D1067 WeakPolarHBondContact CB-OD2 3.23Å; T1032-D1067 PolarHBondContact OG1-OD2 2.77Å; L1035-D1067 HydrophobicContact CB-CB 4.38Å; L1035-D1067 HydrophobicContact CD1-CB 3.61Å; L1035-D1067 HydrophobicContact CG-CB 3.75Å; S1063-D1067 PolarHBondContact O-N 2.94Å; S1064-D1067 WeakPolarHBondContact O-CB 3.47Å; S1064-D1067 PolarHBondContact O-N 3.46Å; D1067-H1070 PolarHBondContact O-N 3.27Å; D1067-L1071 WeakPolarHBondContact O-CG 3.47Å; D1067-L1071 PolarHBondContact O-N 3.23Å; D1067-F1124 HydrophobicContact CB-CZ 4.38Å
1068	Y	96.4	Very high	94.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.5	-47.9	174.4	-162.5	-70.1	0	0	0	111.8	V851 Q854 W857 I858 S1064 A1065 V1066 H1070 L1071 M1072 N1117 T1120 R1121 F1124	V851-Y1068 HydrophobicContact CG1-CE1 4.08Å; V851-Y1068 HydrophobicContact CG2-CE1 4.18Å; Q854-Y1068 HydrophobicContact CG-CD2 4.35Å; Q854-Y1068 HydrophobicContact CG-CG 4.32Å; Q854-Y1068 VanDerWaalsContact NE2-CG 3.3Å; W857-Y1068 HydrophobicContact CE3-CE2 4.12Å; W857-Y1068 HydrophobicContact CZ3-CD2 4.16Å; W857-Y1068 AromaticContact CZ3-CE2 3.66Å; W857-Y1068 HydrophobicContact CZ3-CE2 3.66Å; I858-Y1068 HydrophobicContact CD1-CD2 4.23Å; S1064-Y1068 PolarHBondContact O-N 3.36Å; S1064-Y1068 VanDerWaalsContact O-N 3.1Å; A1065-Y1068 VanDerWaalsContact O-CB 3.26Å; A1065-Y1068 WeakPolarHBondContact O-CB 3.36Å; A1065-Y1068 PolarHBondContact O-N 3.06Å; V1066-Y1068 PolarHBondContact O-N 2.81Å; Y1068-H1070 PolarHBondContact O-N 3.5Å; Y1068-L1071 PolarHBondContact O-N 2.99Å; Y1068-M1072 HydrophobicContact CD1-CG 3.91Å; Y1068-M1072 HydrophobicContact CD1-SD 3.68Å; Y1068-M1072 HydrophobicContact CE1-CG 3.89Å; Y1068-M1072 HydrophobicContact CE1-SD 3.48Å; Y1068-M1072 WeakPolarHBondContact CE1-SD 3.49Å; Y1068-M1072 WeakPolarHBondContact O-CG 3.33Å; Y1068-M1072 PolarHBondContact O-N 3.13Å; Y1068-N1117 PolarHBondContact OH-OD1 2.96Å; Y1068-T1120 HydrophobicContact CD1-CG2 3.6Å; Y1068-T1120 HydrophobicContact CD2-CG2 3.73Å; Y1068-T1120 HydrophobicContact CE1-CG2 3.69Å; Y1068-T1120 HydrophobicContact CE2-CG2 3.81Å; Y1068-T1120 HydrophobicContact CG-CG2 3.62Å; Y1068-R1121 HydrophobicContact CE2-CG 3.82Å; Y1068-R1121 WeakPolarHBondContact OH-CD 3.36Å; Y1068-R1121 WeakPolarHBondContact OH-CG 3.24Å; Y1068-R1121 PolarHBondContact OH-NE 3Å; Y1068-F1124 HydrophobicContact CD2-CD2 4.06Å; Y1068-F1124 HydrophobicContact CD2-CE1 4.49Å; Y1068-F1124 AromaticContact CD2-CE2 3.63Å; Y1068-F1124 HydrophobicContact CD2-CE2 3.63Å; Y1068-F1124 AromaticContact CD2-CZ 3.9Å; Y1068-F1124 HydrophobicContact CD2-CZ 3.9Å; Y1068-F1124 HydrophobicContact CG-CE2 4.06Å; Y1068-F1124 HydrophobicContact CG-CZ 4.32Å
1069	L	95.5	Very high	95.2	Very high	24 Å²	24	5 Å²	5	13%	0.126	3%	0.025	C	C	.	.	H	α-helix	trans	-60	-45.7	177	178.4	60.8	0	0	0	111.2	M401 A1065 V1066 L1071 M1072 L1073 V1097	M401-L1069 HydrophobicContact SD-CD2 4.04Å; A1065-L1069 PolarHBondContact O-N 2.92Å; A1065-L1069 VanDerWaalsContact O-N 3.14Å; V1066-L1069 PolarHBondContact O-N 3.43Å; L1069-L1071 VanDerWaalsContact C-N 3.34Å; L1069-L1071 PolarHBondContact O-N 3.04Å; L1069-M1072 WeakPolarHBondContact O-CB 3.3Å; L1069-M1072 PolarHBondContact O-N 3.34Å; L1069-M1072 VanDerWaalsContact O-N 3.14Å; L1069-L1073 HydrophobicContact CD1-CD1 4.39Å; L1069-L1073 HydrophobicContact CD1-CD2 4.35Å; L1069-L1073 HydrophobicContact CD1-CG 4.14Å; L1069-L1073 HydrophobicContact CG-CD1 4.2Å; L1069-L1073 HydrophobicContact CG-CG 4.35Å; L1069-L1073 WeakPolarHBondContact O-CG 3.38Å; L1069-L1073 PolarHBondContact O-N 3.27Å; L1069-V1097 HydrophobicContact CD1-CG2 3.65Å
1070	H	96.6	Very high	95.3	Very high	1 Å²	1	5.8 Å²	5.8	1%	0.005	3%	0.028	C	C	.	.	H	α-helix	trans	-60.3	-42.6	178.6	-65.6	155.5	0	0	0	112.6	V393 V1066 D1067 Y1068 M1072 L1073 V1074	V393-H1070 HydrophobicContact CG1-CB 3.77Å; V1066-H1070 VanDerWaalsContact CG1-CE1 3.4Å; V1066-H1070 WeakPolarHBondContact CG1-CE1 3.31Å; V1066-H1070 PolarHBondContact O-N 3.27Å; V1066-H1070 PolarHBondContact O-ND1 2.94Å; D1067-H1070 PolarHBondContact O-N 3.27Å; Y1068-H1070 PolarHBondContact O-N 3.5Å; H1070-M1072 VanDerWaalsContact C-N 3.33Å; H1070-M1072 PolarHBondContact O-N 2.9Å; H1070-L1073 PolarHBondContact O-N 3.41Å; H1070-V1074 WeakPolarHBondContact O-CG2 3.36Å; H1070-V1074 PolarHBondContact O-N 3.19Å
1071	L	97.4	Very high	95.3	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.7	-43.1	174.6	-73.4	164.3	0	0	0	111.4	F110 V393 V1034 L1035 D1067 Y1068 L1069 V1074 A1075 T1120 M1123 F1124	F110-L1071 HydrophobicContact CB-CD2 4.05Å; F110-L1071 HydrophobicContact CD1-CD2 3.35Å; F110-L1071 HydrophobicContact CD2-CD2 3.91Å; F110-L1071 HydrophobicContact CE1-CB 4.1Å; F110-L1071 HydrophobicContact CE1-CD2 3.62Å; F110-L1071 HydrophobicContact CE1-CG 4.49Å; F110-L1071 HydrophobicContact CE2-CD2 4.16Å; F110-L1071 HydrophobicContact CG-CD2 3.5Å; F110-L1071 HydrophobicContact CZ-CB 4.41Å; F110-L1071 HydrophobicContact CZ-CD2 4.02Å; V393-L1071 HydrophobicContact CG1-CD2 3.89Å; V393-L1071 HydrophobicContact CG1-CG 4.05Å; V393-L1071 HydrophobicContact CG2-CD2 4.14Å; V1034-L1071 HydrophobicContact CG1-CD1 4.22Å; L1035-L1071 HydrophobicContact CD2-CD1 4.5Å; L1035-L1071 HydrophobicContact CD2-CD2 4.33Å; L1035-L1071 HydrophobicContact CD2-CG 4.49Å; D1067-L1071 WeakPolarHBondContact O-CG 3.47Å; D1067-L1071 PolarHBondContact O-N 3.23Å; Y1068-L1071 PolarHBondContact O-N 2.99Å; L1069-L1071 VanDerWaalsContact C-N 3.34Å; L1069-L1071 PolarHBondContact O-N 3.04Å; L1071-V1074 PolarHBondContact O-N 2.93Å; L1071-A1075 WeakPolarHBondContact O-CB 3.43Å; L1071-A1075 PolarHBondContact O-N 3.04Å; L1071-T1120 HydrophobicContact CB-CG2 3.77Å; L1071-T1120 HydrophobicContact CD1-CG2 4.08Å; L1071-M1123 HydrophobicContact CD1-CB 4.41Å; L1071-M1123 HydrophobicContact CD1-CG 3.94Å; L1071-M1123 HydrophobicContact CD2-CG 4.12Å; L1071-F1124 HydrophobicContact CD1-CD2 4.09Å; L1071-F1124 HydrophobicContact CD1-CE2 3.75Å
1072	M	96.5	Very high	95.4	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-61.4	-46	176.2	-71.6	-176.1	70.3	0	0	112.7	V851 Y1068 L1069 H1070 A1075 M1076 V1097 L1113 T1116 T1120 F1140	V851-M1072 HydrophobicContact CG2-CE 4.38Å; V851-M1072 HydrophobicContact CG2-SD 3.97Å; Y1068-M1072 HydrophobicContact CD1-CG 3.91Å; Y1068-M1072 HydrophobicContact CD1-SD 3.68Å; Y1068-M1072 HydrophobicContact CE1-CG 3.89Å; Y1068-M1072 HydrophobicContact CE1-SD 3.48Å; Y1068-M1072 WeakPolarHBondContact CE1-SD 3.49Å; Y1068-M1072 WeakPolarHBondContact O-CG 3.33Å; Y1068-M1072 PolarHBondContact O-N 3.13Å; L1069-M1072 WeakPolarHBondContact O-CB 3.3Å; L1069-M1072 PolarHBondContact O-N 3.34Å; L1069-M1072 VanDerWaalsContact O-N 3.14Å; H1070-M1072 VanDerWaalsContact C-N 3.33Å; H1070-M1072 PolarHBondContact O-N 2.9Å; M1072-A1075 PolarHBondContact O-N 3.29Å; M1072-M1076 WeakPolarHBondContact O-CB 3.46Å; M1072-M1076 WeakPolarHBondContact O-CG 3.41Å; M1072-M1076 PolarHBondContact O-N 3.1Å; M1072-V1097 HydrophobicContact CE-CB 4.39Å; M1072-V1097 HydrophobicContact CE-CG2 4.07Å; M1072-V1097 HydrophobicContact SD-CG2 4.32Å; M1072-L1113 HydrophobicContact CE-CD1 3.82Å; M1072-T1116 VanDerWaalsContact CA-CG2 3.46Å; M1072-T1116 HydrophobicContact CB-CG2 3.86Å; M1072-T1116 HydrophobicContact CG-CG2 4Å; M1072-T1116 WeakPolarHBondContact O-CG2 3.37Å; M1072-T1120 HydrophobicContact CG-CG2 4.36Å; M1072-F1140 HydrophobicContact CE-CE2 4.48Å; M1072-F1140 HydrophobicContact CE-CZ 3.75Å
1073	L	96.3	Very high	95.5	Very high	2 Å²	2	17 Å²	17	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-62.6	-44.6	-179.9	-65.5	179.8	0	0	0	111.5	E400 M401 L1069 H1070 K1077 F1089 V1097	E400-L1073 HydrophobicContact CB-CB 4.47Å; M401-L1073 HydrophobicContact CB-CD1 4.04Å; L1069-L1073 HydrophobicContact CD1-CD1 4.39Å; L1069-L1073 HydrophobicContact CD1-CD2 4.35Å; L1069-L1073 HydrophobicContact CD1-CG 4.14Å; L1069-L1073 HydrophobicContact CG-CD1 4.2Å; L1069-L1073 HydrophobicContact CG-CG 4.35Å; L1069-L1073 WeakPolarHBondContact O-CG 3.38Å; L1069-L1073 PolarHBondContact O-N 3.27Å; H1070-L1073 PolarHBondContact O-N 3.41Å; L1073-K1077 WeakPolarHBondContact O-CB 3.45Å; L1073-K1077 PolarHBondContact O-N 3.11Å; L1073-F1089 HydrophobicContact CD2-CD2 3.67Å; L1073-F1089 HydrophobicContact CD2-CE2 3.56Å; L1073-F1089 HydrophobicContact CD2-CG 4.38Å; L1073-F1089 HydrophobicContact CD2-CZ 4.18Å; L1073-V1097 HydrophobicContact CD2-CG1 4.36Å
1074	V	97.2	Very high	95.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-64.9	-45.1	179.4	170	0	0	0	0	111.5	L113 A114 Q117 V393 A396 H1070 L1071 W1078	L113-V1074 HydrophobicContact CB-CG1 3.84Å; A114-V1074 HydrophobicContact CB-CG1 4.29Å; Q117-V1074 PolarHBondContact NE2-O 3.45Å; V393-V1074 HydrophobicContact CG1-CG2 4.15Å; A396-V1074 HydrophobicContact CB-CG2 3.77Å; H1070-V1074 WeakPolarHBondContact O-CG2 3.36Å; H1070-V1074 PolarHBondContact O-N 3.19Å; L1071-V1074 PolarHBondContact O-N 2.93Å; V1074-W1078 PolarHBondContact O-N 3.07Å
1075	A	97.1	Very high	95.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68	-43.1	178.6	0	0	0	0	0	112.3	F110 L1071 M1072 K1077 W1078 L1079 T1116	F110-A1075 HydrophobicContact CE1-CB 3.81Å; F110-A1075 HydrophobicContact CZ-CB 4.24Å; L1071-A1075 WeakPolarHBondContact O-CB 3.43Å; L1071-A1075 PolarHBondContact O-N 3.04Å; M1072-A1075 PolarHBondContact O-N 3.29Å; A1075-K1077 PolarHBondContact O-N 3.27Å; A1075-W1078 WeakPolarHBondContact O-CB 3.46Å; A1075-W1078 PolarHBondContact O-N 2.85Å; A1075-L1079 WeakPolarHBondContact O-CG 3.5Å; A1075-L1079 PolarHBondContact O-N 3.23Å; A1075-T1116 HydrophobicContact CB-CG2 3.88Å
1076	M	96.6	Very high	95.4	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-61.5	-44.1	176.4	-81.9	-65.6	-75.5	0	0	112.1	M1072 W1078 L1079 F1080 Y1099 A1112 L1113 T1116	M1072-M1076 WeakPolarHBondContact O-CB 3.46Å; M1072-M1076 WeakPolarHBondContact O-CG 3.41Å; M1072-M1076 PolarHBondContact O-N 3.1Å; M1076-W1078 VanDerWaalsContact C-N 3.33Å; M1076-W1078 PolarHBondContact O-N 3.27Å; M1076-L1079 PolarHBondContact O-N 2.88Å; M1076-F1080 HydrophobicContact CE-CD1 4.36Å; M1076-F1080 HydrophobicContact CE-CE1 3.38Å; M1076-F1080 HydrophobicContact CE-CZ 3.5Å; M1076-F1080 VanDerWaalsContact CE-CZ 3.5Å; M1076-F1080 WeakPolarHBondContact O-CD1 3.44Å; M1076-F1080 WeakPolarHBondContact O-CG 2.96Å; M1076-F1080 PolarHBondContact O-N 2.9Å; M1076-F1080 HydrophobicContact SD-CE1 4.38Å; M1076-Y1099 HydrophobicContact CB-CE1 4.07Å; M1076-Y1099 HydrophobicContact CB-CE2 4.47Å; M1076-Y1099 WeakPolarHBondContact CB-OH 3.35Å; M1076-Y1099 HydrophobicContact CE-CD1 4.44Å; M1076-Y1099 HydrophobicContact CE-CD2 3.78Å; M1076-Y1099 HydrophobicContact CE-CE1 4.37Å; M1076-Y1099 HydrophobicContact CE-CE2 3.68Å; M1076-Y1099 HydrophobicContact CE-CG 4.17Å; M1076-Y1099 HydrophobicContact CG-CE1 4.49Å; M1076-Y1099 HydrophobicContact CG-CE2 4.02Å; M1076-Y1099 WeakPolarHBondContact CG-OH 3.49Å; M1076-A1112 VanDerWaalsContact SD-C 3.59Å; M1076-A1112 HydrophobicContact SD-CB 4.07Å; M1076-L1113 HydrophobicContact CE-CB 4.15Å; M1076-L1113 HydrophobicContact CE-CD1 4.24Å; M1076-L1113 HydrophobicContact CG-CD1 4.14Å; M1076-L1113 VanDerWaalsContact SD-CA 3.55Å; M1076-L1113 HydrophobicContact SD-CB 4.03Å; M1076-L1113 HydrophobicContact SD-CD1 4Å; M1076-T1116 HydrophobicContact CG-CG2 3.74Å; M1076-T1116 WeakPolarHBondContact CG-OG1 3.49Å; M1076-T1116 PolarHBondContact SD-OG1 3.35Å
1077	K	95.2	Very high	95.3	Very high	27 Å²	27	24.9 Å²	24.9	12%	0.117	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-45.2	175.6	179.7	170.3	-178.7	174.4	0	111.7	Q117 E400 L1073 A1075 L1079 F1080 E1081	Q117-K1077 HydrophobicContact CG-CD 4.31Å; E400-K1077 WeakPolarHBondContact OE2-CD 3.47Å; E400-K1077 IonicContact OE2-NZ 2.9Å; E400-K1077 PolarHBondContact OE2-NZ 2.84Å; E400-K1077 VanDerWaalsContact OE2-NZ 3.08Å; L1073-K1077 WeakPolarHBondContact O-CB 3.45Å; L1073-K1077 PolarHBondContact O-N 3.11Å; A1075-K1077 PolarHBondContact O-N 3.27Å; K1077-L1079 PolarHBondContact O-N 2.98Å; K1077-F1080 PolarHBondContact O-N 3.26Å; K1077-E1081 WeakPolarHBondContact CE-OE1 3.09Å; K1077-E1081 WeakPolarHBondContact CG-OE1 3.47Å; K1077-E1081 WeakPolarHBondContact O-CG 3.15Å; K1077-E1081 PolarHBondContact O-N 3.24Å
1078	W	95.8	Very high	95.1	Very high	5 Å²	5	26.2 Å²	26.2	2%	0.019	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-47.8	176	162.8	57.7	0	0	0	112.2	P99 F102 H109 L113 V1074 A1075 M1076 F1080 E1081 E1082 L1119	P99-W1078 HydrophobicContact CB-CH2 3.61Å; P99-W1078 HydrophobicContact CB-CZ2 3.96Å; P99-W1078 HydrophobicContact CG-CH2 4.31Å; F102-W1078 AromaticContact CE2-CE2 4Å; F102-W1078 HydrophobicContact CE2-CZ2 4.15Å; F102-W1078 AromaticContact CE2-NE1 3.6Å; H109-W1078 AromaticContact CE1-CH2 3.68Å; H109-W1078 AromaticContact CE1-CZ2 3.86Å; H109-W1078 AromaticContact NE2-CH2 3.68Å; H109-W1078 AromaticContact NE2-CZ3 3.6Å; L113-W1078 HydrophobicContact CD1-CB 3.93Å; L113-W1078 HydrophobicContact CD1-CD2 3.85Å; L113-W1078 HydrophobicContact CD1-CE3 3.85Å; L113-W1078 HydrophobicContact CD1-CG 3.9Å; L113-W1078 HydrophobicContact CD2-CB 3.92Å; L113-W1078 VanDerWaalsContact CD2-CD1 3.47Å; L113-W1078 HydrophobicContact CD2-CD2 3.8Å; L113-W1078 HydrophobicContact CD2-CG 3.42Å; L113-W1078 VanDerWaalsContact CD2-CG 3.42Å; L113-W1078 HydrophobicContact CG-CB 4.46Å; L113-W1078 HydrophobicContact CG-CD2 4.49Å; L113-W1078 HydrophobicContact CG-CG 4.28Å; V1074-W1078 PolarHBondContact O-N 3.07Å; A1075-W1078 WeakPolarHBondContact O-CB 3.46Å; A1075-W1078 PolarHBondContact O-N 2.85Å; M1076-W1078 VanDerWaalsContact C-N 3.33Å; M1076-W1078 PolarHBondContact O-N 3.27Å; W1078-F1080 VanDerWaalsContact C-N 3.27Å; W1078-F1080 PolarHBondContact O-N 2.71Å; W1078-E1081 PolarHBondContact O-N 3.46Å; W1078-E1082 WeakPolarHBondContact O-CB 3.28Å; W1078-E1082 PolarHBondContact O-N 3.09Å; W1078-L1119 HydrophobicContact CZ3-CD1 4.09Å
1079	L	96.1	Very high	95.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.9	-35.2	179.7	-67.8	174.8	0	0	0	111.8	P99 A1075 M1076 K1077 Y1083 A1112 I1115 L1191	P99-L1079 HydrophobicContact CB-CD2 4.39Å; P99-L1079 HydrophobicContact CG-CD2 3.78Å; A1075-L1079 WeakPolarHBondContact O-CG 3.5Å; A1075-L1079 PolarHBondContact O-N 3.23Å; M1076-L1079 PolarHBondContact O-N 2.88Å; K1077-L1079 PolarHBondContact O-N 2.98Å; L1079-Y1083 HydrophobicContact CD2-CD2 4.32Å; L1079-Y1083 HydrophobicContact CD2-CE2 4.11Å; L1079-Y1083 WeakPolarHBondContact O-CB 3.42Å; L1079-Y1083 PolarHBondContact O-N 3.35Å; L1079-A1112 HydrophobicContact CB-CB 4.07Å; L1079-A1112 HydrophobicContact CD1-CB 3.77Å; L1079-A1112 VanDerWaalsContact CD1-O 3.31Å; L1079-A1112 WeakPolarHBondContact CD1-O 3.21Å; L1079-I1115 HydrophobicContact CD1-CB 4.37Å; L1079-I1115 HydrophobicContact CD1-CG2 4.22Å; L1079-L1191 HydrophobicContact CD2-CD1 3.97Å
1080	F	95	Very high	95	Very high	19 Å²	19	25.2 Å²	25.2	8%	0.083	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-43.8	176.3	-77.8	15.9	0	0	0	111.9	M1076 K1077 W1078 N1084 I1085 Y1099 V1101 A1109	M1076-F1080 HydrophobicContact CE-CD1 4.36Å; M1076-F1080 HydrophobicContact CE-CE1 3.38Å; M1076-F1080 HydrophobicContact CE-CZ 3.5Å; M1076-F1080 VanDerWaalsContact CE-CZ 3.5Å; M1076-F1080 WeakPolarHBondContact O-CD1 3.44Å; M1076-F1080 WeakPolarHBondContact O-CG 2.96Å; M1076-F1080 PolarHBondContact O-N 2.9Å; M1076-F1080 HydrophobicContact SD-CE1 4.38Å; K1077-F1080 PolarHBondContact O-N 3.26Å; W1078-F1080 VanDerWaalsContact C-N 3.27Å; W1078-F1080 PolarHBondContact O-N 2.71Å; F1080-N1084 CarbonylContact O-C 3.58Å; F1080-N1084 VanDerWaalsContact O-CA 3.25Å; F1080-N1084 WeakPolarHBondContact O-CA 3.46Å; F1080-N1084 PolarHBondContact O-N 3.16Å; F1080-I1085 HydrophobicContact CB-CB 4.39Å; F1080-I1085 HydrophobicContact CD1-CB 3.84Å; F1080-I1085 HydrophobicContact CD1-CD1 4.08Å; F1080-I1085 HydrophobicContact CD1-CG2 3.79Å; F1080-I1085 HydrophobicContact CE1-CB 4.34Å; F1080-I1085 HydrophobicContact CE1-CD1 4.42Å; F1080-I1085 HydrophobicContact CE1-CG2 3.78Å; F1080-I1085 HydrophobicContact CG-CB 4.14Å; F1080-I1085 HydrophobicContact CG-CG2 4.27Å; F1080-I1085 HydrophobicContact CZ-CG2 4.26Å; F1080-I1085 PolarHBondContact O-N 3.15Å; F1080-Y1099 HydrophobicContact CE2-CD1 4.07Å; F1080-Y1099 HydrophobicContact CE2-CG 4.49Å; F1080-Y1099 HydrophobicContact CZ-CD1 4.29Å; F1080-Y1099 HydrophobicContact CZ-CG 4.34Å; F1080-V1101 HydrophobicContact CZ-CG2 4.17Å; F1080-A1109 HydrophobicContact CE1-CB 4.03Å; F1080-A1109 HydrophobicContact CZ-CB 4.12Å
1081	E	92.6	Very high	94.9	Very high	104 Å²	104	25.3 Å²	25.3	49%	0.486	13%	0.126	S	C	.	.	H	α-helix	trans	-67.9	-49.1	178.1	-71	171.7	-175.2	0	0	112.2	K1077 W1078 Y1083 N1084	K1077-E1081 WeakPolarHBondContact CE-OE1 3.09Å; K1077-E1081 WeakPolarHBondContact CG-OE1 3.47Å; K1077-E1081 WeakPolarHBondContact O-CG 3.15Å; K1077-E1081 PolarHBondContact O-N 3.24Å; W1078-E1081 PolarHBondContact O-N 3.46Å; E1081-Y1083 PolarHBondContact O-N 3.35Å; E1081-N1084 PolarHBondContact O-N 2.89Å
1082	E	93.5	Very high	94.6	Very high	105 Å²	105	26.1 Å²	26.1	49%	0.491	13%	0.132	S	C	.	.	H	α-helix	trans	-65.4	-38.9	-175.2	-172.1	68.3	-159.4	0	0	112.1	W1078	W1078-E1082 WeakPolarHBondContact O-CB 3.28Å; W1078-E1082 PolarHBondContact O-N 3.09Å
1083	Y	93.8	Very high	94.1	Very high	54 Å²	54	26.2 Å²	26.2	21%	0.212	13%	0.132	C	C	.	.	H	α-helix	trans	-101.9	3.8	-177.6	-67.2	-81.6	0	0	0	113.7	P99 L1079 E1081 I1085 R1108 L1191	P99-Y1083 WeakPolarHBondContact CA-OH 3.43Å; P99-Y1083 HydrophobicContact CB-CE2 3.91Å; P99-Y1083 VanDerWaalsContact CB-OH 3.23Å; P99-Y1083 WeakPolarHBondContact CB-OH 3.09Å; P99-Y1083 HydrophobicContact CG-CE2 3.74Å; P99-Y1083 WeakPolarHBondContact CG-OH 3.35Å; L1079-Y1083 HydrophobicContact CD2-CD2 4.32Å; L1079-Y1083 HydrophobicContact CD2-CE2 4.11Å; L1079-Y1083 WeakPolarHBondContact O-CB 3.42Å; L1079-Y1083 PolarHBondContact O-N 3.35Å; E1081-Y1083 PolarHBondContact O-N 3.35Å; Y1083-I1085 VanDerWaalsContact C-N 3.34Å; Y1083-I1085 PolarHBondContact O-N 3.28Å; Y1083-R1108 PolarHBondContact O-NH2 2.69Å; Y1083-L1191 HydrophobicContact CD1-CB 3.65Å; Y1083-L1191 HydrophobicContact CD2-CB 3.93Å; Y1083-L1191 HydrophobicContact CD2-CD1 3.87Å; Y1083-L1191 HydrophobicContact CE1-CB 3.86Å; Y1083-L1191 HydrophobicContact CE2-CB 4.13Å; Y1083-L1191 HydrophobicContact CE2-CD1 3.78Å; Y1083-L1191 HydrophobicContact CG-CB 3.68Å; Y1083-L1191 HydrophobicContact CG-CD1 4.46Å
1084	N	93.9	Very high	93.4	Very high	113 Å²	113	32.6 Å²	32.6	60%	0.604	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	52	-178.3	-171.2	31.7	0	0	0	111.9	F1080 E1081 K1193	F1080-N1084 CarbonylContact O-C 3.58Å; F1080-N1084 VanDerWaalsContact O-CA 3.25Å; F1080-N1084 WeakPolarHBondContact O-CA 3.46Å; F1080-N1084 PolarHBondContact O-N 3.16Å; E1081-N1084 PolarHBondContact O-N 2.89Å; N1084-K1193 WeakPolarHBondContact O-CE 3.49Å; N1084-K1193 PolarHBondContact O-NZ 3.18Å
1085	I	94.4	Very high	92.8	Very high	8 Å²	8	34 Å²	34	4%	0.041	17%	0.169	C	C	.	.			trans	-85.9	119.8	171.8	-59.5	176.4	0	0	0	106.7	F1080 Y1083 G1087 V1101 D1105 R1108 A1109 A1112 L1191	F1080-I1085 HydrophobicContact CB-CB 4.39Å; F1080-I1085 HydrophobicContact CD1-CB 3.84Å; F1080-I1085 HydrophobicContact CD1-CD1 4.08Å; F1080-I1085 HydrophobicContact CD1-CG2 3.79Å; F1080-I1085 HydrophobicContact CE1-CB 4.34Å; F1080-I1085 HydrophobicContact CE1-CD1 4.42Å; F1080-I1085 HydrophobicContact CE1-CG2 3.78Å; F1080-I1085 HydrophobicContact CG-CB 4.14Å; F1080-I1085 HydrophobicContact CG-CG2 4.27Å; F1080-I1085 HydrophobicContact CZ-CG2 4.26Å; F1080-I1085 PolarHBondContact O-N 3.15Å; Y1083-I1085 VanDerWaalsContact C-N 3.34Å; Y1083-I1085 PolarHBondContact O-N 3.28Å; I1085-G1087 PolarHBondContact O-N 3.2Å; I1085-V1101 HydrophobicContact CG2-CG1 4.28Å; I1085-D1105 HydrophobicContact CG2-CB 3.93Å; I1085-R1108 HydrophobicContact CD1-CB 4.19Å; I1085-R1108 HydrophobicContact CG1-CB 4.49Å; I1085-A1109 HydrophobicContact CG2-CB 4.06Å; I1085-A1112 HydrophobicContact CD1-CB 4.24Å; I1085-L1191 HydrophobicContact CD1-CD2 4.45Å
1086	D	92.1	Very high	92.4	Very high	32 Å²	32	34.7 Å²	34.7	17%	0.171	17%	0.173	C	C	.	.			trans	-79.5	90.8	-178.8	-167.9	2.9	0	0	0	110	K256 V1101 R1102 D1105	K256-D1086 WeakPolarHBondContact CE-OD1 3.49Å; K256-D1086 WeakPolarHBondContact CE-OD2 3.13Å; K256-D1086 IonicContact NZ-OD1 3.86Å; K256-D1086 PolarHBondContact NZ-OD1 2.62Å; K256-D1086 IonicContact NZ-OD2 3.08Å; K256-D1086 PolarHBondContact NZ-OD2 3.43Å; D1086-V1101 WeakPolarHBondContact O-CA 3.39Å; D1086-R1102 HydrophobicContact CB-CB 3.96Å; D1086-R1102 PolarHBondContact O-N 3.11Å; D1086-D1105 PolarHBondContact N-OD2 2.78Å
1087	G	92.8	Very high	92.3	Very high	25 Å²	25	34.8 Å²	34.8	26%	0.258	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	161.4	178.4	0	0	0	0	0	114.1	I1085 L1100	I1085-G1087 PolarHBondContact O-N 3.2Å; G1087-L1100 CarbonylContact C-O 2.91Å; G1087-L1100 WeakPolarHBondContact CA-O 3.34Å
1088	R	93.1	Very high	92.3	Very high	28 Å²	28	34 Å²	34	11%	0.106	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.8	-178.5	-176.5	179.6	-179.9	171.3	-1.1	110.2	Q252 L254 L255 Y405 C1090 Y1099 L1100	Q252-R1088 PolarHBondContact O-NH2 3.21Å; L254-R1088 PolarHBondContact O-NH1 3.08Å; L255-R1088 PolarHBondContact O-NH1 3.43Å; Y405-R1088 VanDerWaalsContact CD2-CZ 3.46Å; Y405-R1088 VanDerWaalsContact CD2-NH1 3.33Å; R1088-C1090 PolarHBondContact O-N 2.66Å; R1088-Y1099 CarbonylContact O-C 3.57Å; R1088-Y1099 WeakPolarHBondContact O-CA 3.49Å; R1088-L1100 PolarHBondContact N-O 2.78Å; R1088-L1100 PolarHBondContact O-N 3.28Å
1089	F	94.9	Very high	92.3	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	126.3	171.3	179.1	-114.8	0	0	0	110.8	E400 L1073 V1097 Y1099	E400-F1089 WeakPolarHBondContact O-CD1 3.17Å; L1073-F1089 HydrophobicContact CD2-CD2 3.67Å; L1073-F1089 HydrophobicContact CD2-CE2 3.56Å; L1073-F1089 HydrophobicContact CD2-CG 4.38Å; L1073-F1089 HydrophobicContact CD2-CZ 4.18Å; F1089-V1097 HydrophobicContact CE2-CG1 4.03Å; F1089-Y1099 HydrophobicContact CB-CD1 4.34Å; F1089-Y1099 HydrophobicContact CB-CE1 4.25Å; F1089-Y1099 HydrophobicContact CD2-CD1 4.34Å; F1089-Y1099 AromaticContact CD2-CE1 3.91Å; F1089-Y1099 HydrophobicContact CD2-CE1 3.91Å
1090	C	94.2	Very high	92.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-67.6	-177.1	-177.9	0	0	0	0	109.7	S404 Y405 R1088 R1098	S404-C1090 CarbonylContact C-O 3.53Å; S404-C1090 WeakPolarHBondContact CA-O 3.48Å; S404-C1090 WeakPolarHBondContact CB-O 3.29Å; Y405-C1090 PolarHBondContact N-O 3.35Å; Y405-C1090 VanDerWaalsContact O-CA 3.31Å; Y405-C1090 WeakPolarHBondContact O-CA 3.32Å; Y405-C1090 PolarHBondContact O-SG 2.91Å; R1088-C1090 PolarHBondContact O-N 2.66Å; C1090-R1098 HydrophobicContact CB-CB 4.31Å; C1090-R1098 VanDerWaalsContact CB-O 3.24Å; C1090-R1098 WeakPolarHBondContact CB-O 3.29Å; C1090-R1098 PolarHBondContact N-O 3.42Å
1091	V	93.6	Very high	92.4	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.018	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	156.1	179	67.2	0	0	0	0	110.1	L406 L820 I1093 R1098 L1149	L406-V1091 HydrophobicContact CD2-CB 3.92Å; L406-V1091 HydrophobicContact CD2-CG1 3.97Å; L820-V1091 HydrophobicContact CD2-CG2 4.27Å; V1091-I1093 HydrophobicContact CG1-CD1 4.02Å; V1091-I1093 HydrophobicContact CG1-CG1 4.03Å; V1091-I1093 HydrophobicContact CG2-CD1 4.38Å; V1091-I1093 HydrophobicContact CG2-CG1 3.8Å; V1091-R1098 HydrophobicContact CG1-CB 4.4Å; V1091-R1098 PolarHBondContact N-O 3.16Å; V1091-R1098 PolarHBondContact O-N 3.29Å; V1091-L1149 HydrophobicContact CG1-CD2 4.35Å
1092	S	91.8	Very high	92.5	Very high	17 Å²	17	32.1 Å²	32.1	12%	0.119	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	121.3	163.9	175.3	0	0	0	0	108.5	L820 E1096	L820-S1092 WeakPolarHBondContact CD2-O 3.45Å; S1092-E1096 CarbonylContact C-O 3.43Å; S1092-E1096 WeakPolarHBondContact CA-O 3.16Å; S1092-E1096 PolarHBondContact OG-O 3.35Å
1093	I	86.6	Confident	92.6	Very high	3 Å²	3	28.2 Å²	28.2	2%	0.015	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	112.7	-178.5	-56.7	172.8	0	0	0	107.8	L820 V1091 D1095 E1096 L1149	L820-I1093 HydrophobicContact CD2-CG1 4.19Å; V1091-I1093 HydrophobicContact CG1-CD1 4.02Å; V1091-I1093 HydrophobicContact CG1-CG1 4.03Å; V1091-I1093 HydrophobicContact CG2-CD1 4.38Å; V1091-I1093 HydrophobicContact CG2-CG1 3.8Å; I1093-D1095 PolarHBondContact O-N 3.07Å; I1093-D1095 VanDerWaalsContact O-N 3.14Å; I1093-E1096 PolarHBondContact N-O 2.95Å; I1093-E1096 WeakPolarHBondContact O-CB 3.45Å; I1093-E1096 PolarHBondContact O-N 3.5Å; I1093-L1149 HydrophobicContact CD1-CD2 4.17Å
1094	H	82.1	Confident	92.5	Very high	136 Å²	136	30 Å²	30	63%	0.63	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	-113.9	-171.6	-51.8	-56.9	0	0	0	110.9	L820	L820-H1094 PolarHBondContact O-CE1 3.04Å
1095	D	83.9	Confident	92.6	Very high	31 Å²	31	24.9 Å²	24.9	17%	0.166	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	2.8	-178.3	-54.6	-10.4	0	0	0	111.3	V851 Q854 I1093	V851-D1095 HydrophobicContact CB-CB 4.45Å; V851-D1095 WeakPolarHBondContact CG2-O 3.1Å; V851-D1095 PolarHBondContact N-O 3.32Å; V851-D1095 VanDerWaalsContact N-O 3.14Å; Q854-D1095 PolarHBondContact OE1-OD1 3.2Å; I1093-D1095 PolarHBondContact O-N 3.07Å; I1093-D1095 VanDerWaalsContact O-N 3.14Å
1096	E	89	Confident	92.6	Very high	14 Å²	14	27.3 Å²	27.3	7%	0.065	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.8	176.1	-58.4	179.6	-142.2	0	0	111	A849 D850 S1092 I1093 R1098	A849-E1096 WeakPolarHBondContact O-CA 3.32Å; D850-E1096 HydrophobicContact CB-CG 4.03Å; S1092-E1096 CarbonylContact C-O 3.43Å; S1092-E1096 WeakPolarHBondContact CA-O 3.16Å; S1092-E1096 PolarHBondContact OG-O 3.35Å; I1093-E1096 PolarHBondContact N-O 2.95Å; I1093-E1096 WeakPolarHBondContact O-CB 3.45Å; I1093-E1096 PolarHBondContact O-N 3.5Å; E1096-R1098 IonicContact OE2-CZ 3.49Å; E1096-R1098 IonicContact OE2-NE 3.57Å; E1096-R1098 PolarHBondContact OE2-NE 2.75Å; E1096-R1098 IonicContact OE2-NH2 3.41Å; E1096-R1098 PolarHBondContact OE2-NH2 3.45Å
1097	V	93.7	Very high	92.8	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.018	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125.9	173.2	-171.9	0	0	0	0	109.1	G848 A849 L1069 M1072 L1073 F1089 Y1099	G848-V1097 WeakPolarHBondContact CA-O 3.43Å; A849-V1097 PolarHBondContact N-O 3.2Å; A849-V1097 PolarHBondContact O-N 3.48Å; A849-V1097 VanDerWaalsContact O-N 3.14Å; L1069-V1097 HydrophobicContact CD1-CG2 3.65Å; M1072-V1097 HydrophobicContact CE-CB 4.39Å; M1072-V1097 HydrophobicContact CE-CG2 4.07Å; M1072-V1097 HydrophobicContact SD-CG2 4.32Å; L1073-V1097 HydrophobicContact CD2-CG1 4.36Å; F1089-V1097 HydrophobicContact CE2-CG1 4.03Å; V1097-Y1099 HydrophobicContact CB-CE2 4.43Å; V1097-Y1099 HydrophobicContact CG1-CD2 4.32Å; V1097-Y1099 HydrophobicContact CG1-CE2 3.44Å; V1097-Y1099 VanDerWaalsContact CG1-CE2 3.44Å
1098	R	95.6	Very high	93	Very high	9 Å²	9	27.7 Å²	27.7	3%	0.034	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138.8	-176	-55.3	-71.5	178.1	-159.4	0.4	111.1	G848 C1090 V1091 E1096 D1144 L1149	G848-R1098 PolarHBondContact O-NH1 2.73Å; C1090-R1098 HydrophobicContact CB-CB 4.31Å; C1090-R1098 VanDerWaalsContact CB-O 3.24Å; C1090-R1098 WeakPolarHBondContact CB-O 3.29Å; C1090-R1098 PolarHBondContact N-O 3.42Å; V1091-R1098 HydrophobicContact CG1-CB 4.4Å; V1091-R1098 PolarHBondContact N-O 3.16Å; V1091-R1098 PolarHBondContact O-N 3.29Å; E1096-R1098 IonicContact OE2-CZ 3.49Å; E1096-R1098 IonicContact OE2-NE 3.57Å; E1096-R1098 PolarHBondContact OE2-NE 2.75Å; E1096-R1098 IonicContact OE2-NH2 3.41Å; E1096-R1098 PolarHBondContact OE2-NH2 3.45Å; R1098-D1144 IonicContact CZ-OD2 2.62Å; R1098-D1144 IonicContact NH1-OD2 3.52Å; R1098-D1144 PolarHBondContact NH1-OD2 3.46Å; R1098-D1144 IonicContact NH2-OD2 2.72Å; R1098-D1144 PolarHBondContact NH2-OD2 3.17Å; R1098-L1149 HydrophobicContact CG-CD1 3.67Å
1099	Y	96.8	Very high	93.2	Very high	8 Å²	8	26.4 Å²	26.4	3%	0.031	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.1	177.4	-62.7	-90.8	0	0	0	109.9	L846 V847 M1076 F1080 R1088 F1089 V1097 L1113	L846-Y1099 CarbonylContact C-O 3.12Å; L846-Y1099 WeakPolarHBondContact CA-O 3.37Å; V847-Y1099 PolarHBondContact N-O 2.98Å; V847-Y1099 PolarHBondContact O-N 3.06Å; M1076-Y1099 HydrophobicContact CB-CE1 4.07Å; M1076-Y1099 HydrophobicContact CB-CE2 4.47Å; M1076-Y1099 WeakPolarHBondContact CB-OH 3.35Å; M1076-Y1099 HydrophobicContact CE-CD1 4.44Å; M1076-Y1099 HydrophobicContact CE-CD2 3.78Å; M1076-Y1099 HydrophobicContact CE-CE1 4.37Å; M1076-Y1099 HydrophobicContact CE-CE2 3.68Å; M1076-Y1099 HydrophobicContact CE-CG 4.17Å; M1076-Y1099 HydrophobicContact CG-CE1 4.49Å; M1076-Y1099 HydrophobicContact CG-CE2 4.02Å; M1076-Y1099 WeakPolarHBondContact CG-OH 3.49Å; F1080-Y1099 HydrophobicContact CE2-CD1 4.07Å; F1080-Y1099 HydrophobicContact CE2-CG 4.49Å; F1080-Y1099 HydrophobicContact CZ-CD1 4.29Å; F1080-Y1099 HydrophobicContact CZ-CG 4.34Å; R1088-Y1099 CarbonylContact O-C 3.57Å; R1088-Y1099 WeakPolarHBondContact O-CA 3.49Å; F1089-Y1099 HydrophobicContact CB-CD1 4.34Å; F1089-Y1099 HydrophobicContact CB-CE1 4.25Å; F1089-Y1099 HydrophobicContact CD2-CD1 4.34Å; F1089-Y1099 AromaticContact CD2-CE1 3.91Å; F1089-Y1099 HydrophobicContact CD2-CE1 3.91Å; V1097-Y1099 HydrophobicContact CB-CE2 4.43Å; V1097-Y1099 HydrophobicContact CG1-CD2 4.32Å; V1097-Y1099 HydrophobicContact CG1-CE2 3.44Å; V1097-Y1099 VanDerWaalsContact CG1-CE2 3.44Å; Y1099-L1113 HydrophobicContact CE2-CD1 4.2Å
1100	L	96.6	Very high	93.3	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	118	168.6	177.7	66.4	0	0	0	108.4	L255 Y405 P407 V840 Y844 L846 G1087 R1088	L255-L1100 HydrophobicContact CD1-CD2 3.65Å; L255-L1100 HydrophobicContact CG-CD2 4.37Å; Y405-L1100 HydrophobicContact CD1-CD2 4.22Å; Y405-L1100 HydrophobicContact CE1-CD2 4.05Å; P407-L1100 HydrophobicContact CG-CD1 4.31Å; V840-L1100 HydrophobicContact CB-CD1 3.95Å; V840-L1100 HydrophobicContact CG1-CD1 3.49Å; V840-L1100 VanDerWaalsContact CG1-CD1 3.49Å; Y844-L1100 HydrophobicContact CD1-CD1 4.1Å; Y844-L1100 HydrophobicContact CD1-CD2 4.49Å; Y844-L1100 HydrophobicContact CD1-CG 3.97Å; Y844-L1100 HydrophobicContact CG-CD1 4.28Å; L846-L1100 HydrophobicContact CD2-CB 4.37Å; L846-L1100 HydrophobicContact CD2-CD1 4.1Å; G1087-L1100 CarbonylContact C-O 2.91Å; G1087-L1100 WeakPolarHBondContact CA-O 3.34Å; R1088-L1100 PolarHBondContact N-O 2.78Å; R1088-L1100 PolarHBondContact O-N 3.28Å
1101	V	96.3	Very high	93.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	144.5	-172.9	-174.5	0	0	0	0	110.2	Y844 H845 V847 F1080 I1085 D1086 D1105 A1109	Y844-V1101 CarbonylContact C-O 3.59Å; Y844-V1101 VanDerWaalsContact CA-O 3.32Å; Y844-V1101 WeakPolarHBondContact CA-O 3.31Å; Y844-V1101 WeakPolarHBondContact CD1-O 3.38Å; H845-V1101 PolarHBondContact N-O 2.55Å; H845-V1101 PolarHBondContact O-N 3.25Å; V847-V1101 HydrophobicContact CB-CG2 4.07Å; V847-V1101 HydrophobicContact CG2-CB 4.03Å; V847-V1101 HydrophobicContact CG2-CG2 3.91Å; F1080-V1101 HydrophobicContact CZ-CG2 4.17Å; I1085-V1101 HydrophobicContact CG2-CG1 4.28Å; D1086-V1101 WeakPolarHBondContact O-CA 3.39Å; V1101-D1105 HydrophobicContact CG1-CB 3.91Å; V1101-A1109 HydrophobicContact CB-CB 4.35Å; V1101-A1109 HydrophobicContact CG1-CB 3.79Å; V1101-A1109 HydrophobicContact CG2-CB 3.8Å
1102	R	94.6	Very high	93.5	Very high	78 Å²	78	26.1 Å²	26.1	29%	0.294	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	141.3	173.7	-165.6	179.3	172.2	-162.7	-3.5	110.7	Y844 D1086 E1104 D1105 R1106	Y844-R1102 HydrophobicContact CD1-CB 4.48Å; Y844-R1102 HydrophobicContact CE1-CB 4.19Å; D1086-R1102 HydrophobicContact CB-CB 3.96Å; D1086-R1102 PolarHBondContact O-N 3.11Å; R1102-E1104 HydrophobicContact CB-CG 4.31Å; R1102-E1104 WeakPolarHBondContact CD-OE1 3.42Å; R1102-E1104 HydrophobicContact CG-CG 3.92Å; R1102-E1104 IonicContact CZ-OE1 3.31Å; R1102-E1104 VanDerWaalsContact CZ-OE1 3.23Å; R1102-E1104 IonicContact CZ-OE2 2.88Å; R1102-E1104 IonicContact NE-OE1 2.65Å; R1102-E1104 IonicContact NE-OE2 3.19Å; R1102-E1104 IonicContact NH1-OE1 2.68Å; R1102-E1104 PolarHBondContact NH1-OE1 3.38Å; R1102-E1104 IonicContact NH1-OE2 3.49Å; R1102-E1104 PolarHBondContact NH1-OE2 3.08Å; R1102-E1104 VanDerWaalsContact NH1-OE2 3.13Å; R1102-E1104 IonicContact NH2-OE2 3.4Å; R1102-E1104 PolarHBondContact NH2-OE2 2.97Å; R1102-E1104 PolarHBondContact O-N 2.99Å; R1102-D1105 PolarHBondContact O-N 3.02Å; R1102-R1106 PolarHBondContact O-N 3.34Å
1103	S	94.3	Very high	93.8	Very high	22 Å²	22	25.3 Å²	25.3	15%	0.154	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.3	-174.8	-60	0	0	0	0	114.8	G843 Y844 H845 D1105 R1106	G843-S1103 WeakPolarHBondContact CA-OG 3.25Å; G843-S1103 PolarHBondContact O-N 3.49Å; G843-S1103 PolarHBondContact O-OG 3.26Å; Y844-S1103 PolarHBondContact N-OG 3.37Å; H845-S1103 PolarHBondContact CE1-OG 3.4Å; H845-S1103 PolarHBondContact ND1-OG 2.95Å; S1103-D1105 VanDerWaalsContact C-N 3.26Å; S1103-D1105 PolarHBondContact O-N 3.35Å; S1103-R1106 WeakPolarHBondContact O-CD 3.23Å; S1103-R1106 WeakPolarHBondContact O-CG 3.49Å; S1103-R1106 PolarHBondContact O-NH1 2.87Å
1104	E	92.9	Very high	94.2	Very high	93 Å²	93	25.1 Å²	25.1	44%	0.435	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-27.1	177.3	60.4	-178.8	-158.6	0	0	113.2	R1102 K1193	R1102-E1104 HydrophobicContact CB-CG 4.31Å; R1102-E1104 WeakPolarHBondContact CD-OE1 3.42Å; R1102-E1104 HydrophobicContact CG-CG 3.92Å; R1102-E1104 IonicContact CZ-OE1 3.31Å; R1102-E1104 VanDerWaalsContact CZ-OE1 3.23Å; R1102-E1104 IonicContact CZ-OE2 2.88Å; R1102-E1104 IonicContact NE-OE1 2.65Å; R1102-E1104 IonicContact NE-OE2 3.19Å; R1102-E1104 IonicContact NH1-OE1 2.68Å; R1102-E1104 PolarHBondContact NH1-OE1 3.38Å; R1102-E1104 IonicContact NH1-OE2 3.49Å; R1102-E1104 PolarHBondContact NH1-OE2 3.08Å; R1102-E1104 VanDerWaalsContact NH1-OE2 3.13Å; R1102-E1104 IonicContact NH2-OE2 3.4Å; R1102-E1104 PolarHBondContact NH2-OE2 2.97Å; R1102-E1104 PolarHBondContact O-N 2.99Å; E1104-K1193 IonicContact OE1-NZ 2.81Å
1105	D	95	Very high	94.9	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.021	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-1	-171.7	-75	-18	0	0	0	112.5	I1085 D1086 V1101 R1102 S1103 Y1107 R1108 A1109 K1193	I1085-D1105 HydrophobicContact CG2-CB 3.93Å; D1086-D1105 PolarHBondContact N-OD2 2.78Å; V1101-D1105 HydrophobicContact CG1-CB 3.91Å; R1102-D1105 PolarHBondContact O-N 3.02Å; S1103-D1105 VanDerWaalsContact C-N 3.26Å; S1103-D1105 PolarHBondContact O-N 3.35Å; D1105-Y1107 PolarHBondContact O-N 3.33Å; D1105-R1108 WeakPolarHBondContact O-CB 3.26Å; D1105-R1108 PolarHBondContact O-N 3.24Å; D1105-R1108 IonicContact OD1-CZ 3.92Å; D1105-R1108 IonicContact OD1-NH1 3.08Å; D1105-R1108 PolarHBondContact OD1-NH1 3.1Å; D1105-R1108 IonicContact OD2-NH1 3.67Å; D1105-R1108 PolarHBondContact OD2-NH1 2.61Å; D1105-A1109 PolarHBondContact O-N 2.87Å; D1105-K1193 IonicContact OD2-NZ 3.84Å
1106	R	95.7	Very high	95.5	Very high	60 Å²	60	17.3 Å²	17.3	23%	0.226	8%	0.075	C	C	.	.	H	α-helix	trans	-55	-44.7	-174	71.9	-169.5	-175.7	-104.1	9.1	114	H845 V847 R1102 S1103 A1109 A1110 I1145	H845-R1106 HydrophobicContact CB-CB 4.43Å; V847-R1106 HydrophobicContact CG2-CB 4.13Å; R1102-R1106 PolarHBondContact O-N 3.34Å; S1103-R1106 WeakPolarHBondContact O-CD 3.23Å; S1103-R1106 WeakPolarHBondContact O-CG 3.49Å; S1103-R1106 PolarHBondContact O-NH1 2.87Å; R1106-A1109 PolarHBondContact O-N 3.32Å; R1106-A1110 PolarHBondContact O-N 2.83Å; R1106-I1145 HydrophobicContact CB-CG2 4.08Å; R1106-I1145 HydrophobicContact CG-CD1 4.4Å; R1106-I1145 HydrophobicContact CG-CG2 4.2Å
1107	Y	96.6	Very high	95.8	Very high	44 Å²	44	16.6 Å²	16.6	17%	0.173	7%	0.072	C	C	.	.	H	α-helix	trans	-72.9	-32.2	178.7	-59	-60.5	0	0	0	112.6	D1105 A1110 L1111 I1145 E1176 L1178 I1186	D1105-Y1107 PolarHBondContact O-N 3.33Å; Y1107-A1110 PolarHBondContact O-N 2.95Å; Y1107-L1111 PolarHBondContact O-N 3.27Å; Y1107-I1145 HydrophobicContact CD1-CD1 3.71Å; Y1107-I1145 HydrophobicContact CE1-CD1 3.85Å; Y1107-E1176 WeakPolarHBondContact CE1-OE2 3.45Å; Y1107-E1176 PolarHBondContact OH-OE1 3.17Å; Y1107-E1176 PolarHBondContact OH-OE2 2.78Å; Y1107-L1178 HydrophobicContact CD1-CD1 3.69Å; Y1107-L1178 HydrophobicContact CE1-CD1 3.64Å; Y1107-I1186 HydrophobicContact CD1-CD1 4.22Å; Y1107-I1186 HydrophobicContact CD1-CG2 4.22Å; Y1107-I1186 HydrophobicContact CD2-CG2 3.88Å; Y1107-I1186 HydrophobicContact CE1-CD1 4.23Å; Y1107-I1186 HydrophobicContact CE2-CG2 4.39Å; Y1107-I1186 HydrophobicContact CG-CG2 3.78Å
1108	R	95.8	Very high	95.9	Very high	21 Å²	21	16.5 Å²	16.5	8%	0.079	7%	0.071	C	C	.	.	H	α-helix	trans	-68.8	-41.4	175	-62.7	168.9	63.4	-136.6	-3.6	110.3	Y1083 I1085 D1105 A1110 L1111 A1112 L1191 K1193	Y1083-R1108 PolarHBondContact O-NH2 2.69Å; I1085-R1108 HydrophobicContact CD1-CB 4.19Å; I1085-R1108 HydrophobicContact CG1-CB 4.49Å; D1105-R1108 WeakPolarHBondContact O-CB 3.26Å; D1105-R1108 PolarHBondContact O-N 3.24Å; D1105-R1108 IonicContact OD1-CZ 3.92Å; D1105-R1108 IonicContact OD1-NH1 3.08Å; D1105-R1108 PolarHBondContact OD1-NH1 3.1Å; D1105-R1108 IonicContact OD2-NH1 3.67Å; D1105-R1108 PolarHBondContact OD2-NH1 2.61Å; R1108-A1110 VanDerWaalsContact C-N 3.34Å; R1108-L1111 PolarHBondContact O-N 2.84Å; R1108-A1112 WeakPolarHBondContact O-CB 3.42Å; R1108-A1112 PolarHBondContact O-N 3.45Å; R1108-L1191 PolarHBondContact NE-O 2.86Å; R1108-L1191 PolarHBondContact NH2-O 2.83Å; R1108-L1191 WeakPolarHBondContact O-CD2 3.41Å; R1108-K1193 VanDerWaalsContact CZ-CG 3.49Å
1109	A	96.8	Very high	96	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.2	-37.2	173.6	0	0	0	0	0	112.1	V847 F1080 I1085 V1101 D1105 R1106 A1112 L1113	V847-A1109 HydrophobicContact CB-CB 4.48Å; V847-A1109 HydrophobicContact CG1-CB 4.27Å; V847-A1109 HydrophobicContact CG2-CB 4.38Å; F1080-A1109 HydrophobicContact CE1-CB 4.03Å; F1080-A1109 HydrophobicContact CZ-CB 4.12Å; I1085-A1109 HydrophobicContact CG2-CB 4.06Å; V1101-A1109 HydrophobicContact CB-CB 4.35Å; V1101-A1109 HydrophobicContact CG1-CB 3.79Å; V1101-A1109 HydrophobicContact CG2-CB 3.8Å; D1105-A1109 PolarHBondContact O-N 2.87Å; R1106-A1109 PolarHBondContact O-N 3.32Å; A1109-A1112 WeakPolarHBondContact O-CB 3.46Å; A1109-A1112 PolarHBondContact O-N 3.41Å; A1109-L1113 WeakPolarHBondContact O-CB 3.38Å; A1109-L1113 PolarHBondContact O-N 3.22Å
1110	A	97.1	Very high	96	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-62.9	-43.5	174.6	0	0	0	0	0	112.1	V847 R1106 Y1107 R1108 L1113 Q1114 V1143 I1145 I1183	V847-A1110 HydrophobicContact CG1-CB 4.13Å; R1106-A1110 PolarHBondContact O-N 2.83Å; Y1107-A1110 PolarHBondContact O-N 2.95Å; R1108-A1110 VanDerWaalsContact C-N 3.34Å; A1110-L1113 PolarHBondContact O-N 3.35Å; A1110-Q1114 PolarHBondContact O-N 3.16Å; A1110-Q1114 VanDerWaalsContact O-N 3.12Å; A1110-V1143 HydrophobicContact CB-CB 4.22Å; A1110-V1143 HydrophobicContact CB-CG1 3.76Å; A1110-I1145 HydrophobicContact CB-CD1 4.06Å; A1110-I1183 HydrophobicContact CB-CD1 3.96Å; A1110-I1183 HydrophobicContact CB-CG1 4.38Å
1111	L	96.5	Very high	95.9	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-62.9	-41.9	172.2	-178.2	60.3	0	0	0	112	L96 Y1107 R1108 L1113 Q1114 I1115 M1180 I1183 L1184 T1187 L1191	L96-L1111 HydrophobicContact CD2-CD1 4.44Å; Y1107-L1111 PolarHBondContact O-N 3.27Å; R1108-L1111 PolarHBondContact O-N 2.84Å; L1111-L1113 VanDerWaalsContact C-N 3.26Å; L1111-L1113 PolarHBondContact O-N 3.41Å; L1111-Q1114 PolarHBondContact O-N 3.37Å; L1111-I1115 HydrophobicContact CD1-CD1 4.28Å; L1111-I1115 HydrophobicContact CD1-CG1 4.49Å; L1111-I1115 HydrophobicContact CG-CD1 3.98Å; L1111-I1115 WeakPolarHBondContact O-CG1 3.24Å; L1111-I1115 PolarHBondContact O-N 3.37Å; L1111-M1180 HydrophobicContact CD1-CE 3.76Å; L1111-M1180 HydrophobicContact CD1-SD 4.31Å; L1111-I1183 HydrophobicContact CB-CG2 3.59Å; L1111-I1183 HydrophobicContact CD1-CG2 4Å; L1111-I1183 HydrophobicContact CG-CG2 4.33Å; L1111-L1184 HydrophobicContact CD1-CD2 4.2Å; L1111-T1187 HydrophobicContact CB-CG2 4.34Å; L1111-T1187 HydrophobicContact CD2-CG2 4.37Å; L1111-L1191 HydrophobicContact CB-CD2 3.89Å; L1111-L1191 HydrophobicContact CD2-CD2 3.85Å; L1111-L1191 HydrophobicContact CD2-CG 4.13Å; L1111-L1191 HydrophobicContact CG-CD2 3.89Å; L1111-L1191 HydrophobicContact CG-CG 4.45Å
1112	A	96.8	Very high	95.9	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.8	-37.5	177.3	0	0	0	0	0	111.8	M1076 L1079 I1085 R1108 A1109 I1115 T1116 L1191	M1076-A1112 VanDerWaalsContact SD-C 3.59Å; M1076-A1112 HydrophobicContact SD-CB 4.07Å; L1079-A1112 HydrophobicContact CB-CB 4.07Å; L1079-A1112 HydrophobicContact CD1-CB 3.77Å; L1079-A1112 VanDerWaalsContact CD1-O 3.31Å; L1079-A1112 WeakPolarHBondContact CD1-O 3.21Å; I1085-A1112 HydrophobicContact CD1-CB 4.24Å; R1108-A1112 WeakPolarHBondContact O-CB 3.42Å; R1108-A1112 PolarHBondContact O-N 3.45Å; A1109-A1112 WeakPolarHBondContact O-CB 3.46Å; A1109-A1112 PolarHBondContact O-N 3.41Å; A1112-I1115 PolarHBondContact O-N 3.14Å; A1112-T1116 VanDerWaalsContact O-CB 3.31Å; A1112-T1116 WeakPolarHBondContact O-CB 3.06Å; A1112-T1116 PolarHBondContact O-N 3.01Å; A1112-T1116 PolarHBondContact O-OG1 2.88Å; A1112-L1191 HydrophobicContact CB-CD2 4.04Å
1113	L	96.7	Very high	96	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-68.5	-40.7	177.4	-172	57.8	0	0	0	111.9	A849 M1072 M1076 Y1099 A1109 A1110 L1111 T1116 N1117 F1140 V1143	A849-L1113 HydrophobicContact CB-CD2 3.97Å; M1072-L1113 HydrophobicContact CE-CD1 3.82Å; M1076-L1113 HydrophobicContact CE-CB 4.15Å; M1076-L1113 HydrophobicContact CE-CD1 4.24Å; M1076-L1113 HydrophobicContact CG-CD1 4.14Å; M1076-L1113 VanDerWaalsContact SD-CA 3.55Å; M1076-L1113 HydrophobicContact SD-CB 4.03Å; M1076-L1113 HydrophobicContact SD-CD1 4Å; Y1099-L1113 HydrophobicContact CE2-CD1 4.2Å; A1109-L1113 WeakPolarHBondContact O-CB 3.38Å; A1109-L1113 PolarHBondContact O-N 3.22Å; A1110-L1113 PolarHBondContact O-N 3.35Å; L1111-L1113 VanDerWaalsContact C-N 3.26Å; L1111-L1113 PolarHBondContact O-N 3.41Å; L1113-T1116 WeakPolarHBondContact O-CB 3.29Å; L1113-T1116 PolarHBondContact O-N 2.99Å; L1113-N1117 PolarHBondContact O-N 3.42Å; L1113-F1140 HydrophobicContact CD1-CE2 4.2Å; L1113-F1140 HydrophobicContact CG-CD2 4.43Å; L1113-F1140 HydrophobicContact CG-CE2 3.77Å; L1113-F1140 HydrophobicContact CG-CZ 4.48Å; L1113-F1140 WeakPolarHBondContact O-CE2 3.45Å; L1113-V1143 HydrophobicContact CD2-CG1 3.99Å; L1113-V1143 HydrophobicContact CD2-CG2 4.44Å
1114	Q	96.1	Very high	96	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-59.9	-47.2	172.6	-71.8	-71	14.7	0	0	112	A1110 L1111 T1116 N1117 L1118 F1139 F1140 V1143 M1180 I1183	A1110-Q1114 PolarHBondContact O-N 3.16Å; A1110-Q1114 VanDerWaalsContact O-N 3.12Å; L1111-Q1114 PolarHBondContact O-N 3.37Å; Q1114-T1116 VanDerWaalsContact C-N 3.32Å; Q1114-T1116 PolarHBondContact O-N 3.47Å; Q1114-N1117 PolarHBondContact O-N 3.42Å; Q1114-L1118 PolarHBondContact O-N 3.43Å; Q1114-L1118 VanDerWaalsContact O-N 3.09Å; Q1114-F1139 HydrophobicContact CB-CD1 4.25Å; Q1114-F1140 PolarHBondContact NE2-O 3.39Å; Q1114-V1143 HydrophobicContact CG-CG2 3.86Å; Q1114-M1180 HydrophobicContact CB-SD 3.68Å; Q1114-M1180 HydrophobicContact CG-SD 3.73Å; Q1114-I1183 HydrophobicContact CG-CD1 3.96Å
1115	I	96	Very high	96.1	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.01	3%	0.027	C	C	.	.	H	α-helix	trans	-61.6	-42.6	176.4	-68.3	165	0	0	0	110.9	L96 L98 L1079 L1111 A1112 N1117 L1118 L1119 L1191	L96-I1115 HydrophobicContact CD2-CD1 4.11Å; L96-I1115 HydrophobicContact CD2-CG1 3.87Å; L98-I1115 HydrophobicContact CD2-CG1 4.19Å; L98-I1115 HydrophobicContact CD2-CG2 4.14Å; L1079-I1115 HydrophobicContact CD1-CB 4.37Å; L1079-I1115 HydrophobicContact CD1-CG2 4.22Å; L1111-I1115 HydrophobicContact CD1-CD1 4.28Å; L1111-I1115 HydrophobicContact CD1-CG1 4.49Å; L1111-I1115 HydrophobicContact CG-CD1 3.98Å; L1111-I1115 WeakPolarHBondContact O-CG1 3.24Å; L1111-I1115 PolarHBondContact O-N 3.37Å; A1112-I1115 PolarHBondContact O-N 3.14Å; I1115-N1117 VanDerWaalsContact C-N 3.34Å; I1115-N1117 PolarHBondContact O-N 2.79Å; I1115-L1118 WeakPolarHBondContact O-CB 3.46Å; I1115-L1118 PolarHBondContact O-N 2.97Å; I1115-L1119 HydrophobicContact CG2-CD1 3.99Å; I1115-L1119 HydrophobicContact CG2-CG 4.24Å; I1115-L1119 WeakPolarHBondContact O-CG 3.32Å; I1115-L1119 PolarHBondContact O-N 3.39Å; I1115-L1191 HydrophobicContact CD1-CD1 3.83Å; I1115-L1191 HydrophobicContact CD1-CG 4.29Å
1116	T	96.5	Very high	96.1	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-56.8	-47.9	177.5	-67.1	0	0	0	0	111.1	M1072 A1075 M1076 A1112 L1113 Q1114 L1119 T1120	M1072-T1116 VanDerWaalsContact CA-CG2 3.46Å; M1072-T1116 HydrophobicContact CB-CG2 3.86Å; M1072-T1116 HydrophobicContact CG-CG2 4Å; M1072-T1116 WeakPolarHBondContact O-CG2 3.37Å; A1075-T1116 HydrophobicContact CB-CG2 3.88Å; M1076-T1116 HydrophobicContact CG-CG2 3.74Å; M1076-T1116 WeakPolarHBondContact CG-OG1 3.49Å; M1076-T1116 PolarHBondContact SD-OG1 3.35Å; A1112-T1116 VanDerWaalsContact O-CB 3.31Å; A1112-T1116 WeakPolarHBondContact O-CB 3.06Å; A1112-T1116 PolarHBondContact O-N 3.01Å; A1112-T1116 PolarHBondContact O-OG1 2.88Å; L1113-T1116 WeakPolarHBondContact O-CB 3.29Å; L1113-T1116 PolarHBondContact O-N 2.99Å; Q1114-T1116 VanDerWaalsContact C-N 3.32Å; Q1114-T1116 PolarHBondContact O-N 3.47Å; T1116-L1119 PolarHBondContact O-N 3.47Å; T1116-T1120 WeakPolarHBondContact O-CB 3.13Å; T1116-T1120 PolarHBondContact O-N 3.39Å; T1116-T1120 PolarHBondContact O-OG1 3.08Å
1117	N	96.3	Very high	96	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-64.9	-41.2	179.8	-176.5	73.4	0	0	0	112.7	Y1068 L1113 Q1114 I1115 T1120 R1121 A1138 F1140	Y1068-N1117 PolarHBondContact OH-OD1 2.96Å; L1113-N1117 PolarHBondContact O-N 3.42Å; Q1114-N1117 PolarHBondContact O-N 3.42Å; I1115-N1117 VanDerWaalsContact C-N 3.34Å; I1115-N1117 PolarHBondContact O-N 2.79Å; N1117-T1120 PolarHBondContact O-N 2.93Å; N1117-R1121 PolarHBondContact ND2-NH1 3.5Å; N1117-R1121 WeakPolarHBondContact O-CG 3.48Å; N1117-R1121 PolarHBondContact O-N 3.25Å; N1117-A1138 PolarHBondContact ND2-O 3.4Å; N1117-A1138 VanDerWaalsContact ND2-O 3.16Å; N1117-F1140 HydrophobicContact CB-CD2 3.92Å; N1117-F1140 HydrophobicContact CB-CE1 4.41Å; N1117-F1140 HydrophobicContact CB-CE2 3.27Å; N1117-F1140 HydrophobicContact CB-CZ 3.55Å
1118	L	96.1	Very high	95.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-56.1	-51.6	172.6	170.4	62.2	0	0	0	111	L50 L54 I58 L98 Q1114 I1115 T1120 R1121 C1122 L1133 A1138 F1139	L50-L1118 HydrophobicContact CD1-CD1 4.1Å; L50-L1118 HydrophobicContact CD2-CD1 3.83Å; L54-L1118 HydrophobicContact CD1-CD2 4.39Å; L54-L1118 HydrophobicContact CD2-CD2 4.25Å; I58-L1118 HydrophobicContact CD1-CD1 4.04Å; I58-L1118 HydrophobicContact CD1-CD2 3.96Å; I58-L1118 HydrophobicContact CD1-CG 3.88Å; L98-L1118 HydrophobicContact CD2-CD2 4.28Å; Q1114-L1118 PolarHBondContact O-N 3.43Å; Q1114-L1118 VanDerWaalsContact O-N 3.09Å; I1115-L1118 WeakPolarHBondContact O-CB 3.46Å; I1115-L1118 PolarHBondContact O-N 2.97Å; L1118-T1120 PolarHBondContact O-N 2.94Å; L1118-R1121 PolarHBondContact O-N 3.17Å; L1118-C1122 WeakPolarHBondContact O-CB 3.26Å; L1118-C1122 PolarHBondContact O-N 3.02Å; L1118-C1122 PolarHBondContact O-SG 3.33Å; L1118-L1133 HydrophobicContact CD1-CD2 4.13Å; L1118-A1138 WeakPolarHBondContact CA-O 3.46Å; L1118-A1138 HydrophobicContact CD1-CB 4.01Å; L1118-A1138 PolarHBondContact N-O 3.42Å; L1118-F1139 HydrophobicContact CB-CE1 4.46Å; L1118-F1139 HydrophobicContact CD2-CE1 4.16Å; L1118-F1139 HydrophobicContact CD2-CZ 4.31Å
1119	L	96.4	Very high	95.6	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.01	6%	0.062	C	C	.	.	H	α-helix	trans	-63.1	-43	180	-66.8	179.3	0	0	0	112	I58 M101 I106 F110 W1078 I1115 T1116 C1122 M1123	I58-L1119 HydrophobicContact CD1-CD2 4.47Å; I58-L1119 HydrophobicContact CG1-CD2 4.5Å; M101-L1119 HydrophobicContact CE-CD2 3.79Å; M101-L1119 HydrophobicContact SD-CD1 4.31Å; M101-L1119 HydrophobicContact SD-CD2 3.87Å; I106-L1119 HydrophobicContact CD1-CB 4.41Å; I106-L1119 HydrophobicContact CD1-CD2 4.14Å; I106-L1119 WeakPolarHBondContact CD1-O 3.36Å; F110-L1119 HydrophobicContact CE2-CB 4.17Å; F110-L1119 HydrophobicContact CZ-CB 3.96Å; W1078-L1119 HydrophobicContact CZ3-CD1 4.09Å; I1115-L1119 HydrophobicContact CG2-CD1 3.99Å; I1115-L1119 HydrophobicContact CG2-CG 4.24Å; I1115-L1119 WeakPolarHBondContact O-CG 3.32Å; I1115-L1119 PolarHBondContact O-N 3.39Å; T1116-L1119 PolarHBondContact O-N 3.47Å; L1119-C1122 PolarHBondContact O-N 3.02Å; L1119-M1123 WeakPolarHBondContact O-CB 3.3Å; L1119-M1123 PolarHBondContact O-N 3.13Å
1120	T	96.6	Very high	95.3	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.3	-46.6	177.4	-62.2	0	0	0	0	111.3	Y1068 L1071 M1072 T1116 N1117 L1118 M1123 F1124	Y1068-T1120 HydrophobicContact CD1-CG2 3.6Å; Y1068-T1120 HydrophobicContact CD2-CG2 3.73Å; Y1068-T1120 HydrophobicContact CE1-CG2 3.69Å; Y1068-T1120 HydrophobicContact CE2-CG2 3.81Å; Y1068-T1120 HydrophobicContact CG-CG2 3.62Å; L1071-T1120 HydrophobicContact CB-CG2 3.77Å; L1071-T1120 HydrophobicContact CD1-CG2 4.08Å; M1072-T1120 HydrophobicContact CG-CG2 4.36Å; T1116-T1120 WeakPolarHBondContact O-CB 3.13Å; T1116-T1120 PolarHBondContact O-N 3.39Å; T1116-T1120 PolarHBondContact O-OG1 3.08Å; N1117-T1120 PolarHBondContact O-N 2.93Å; L1118-T1120 PolarHBondContact O-N 2.94Å; T1120-M1123 WeakPolarHBondContact O-CB 3.49Å; T1120-M1123 PolarHBondContact O-N 2.72Å; T1120-F1124 HydrophobicContact CG2-CD2 4.29Å; T1120-F1124 HydrophobicContact CG2-CE2 4.23Å; T1120-F1124 WeakPolarHBondContact O-CD2 3.46Å; T1120-F1124 PolarHBondContact O-N 3.48Å; T1120-F1124 VanDerWaalsContact O-N 3.09Å
1121	R	95.9	Very high	95	Very high	7 Å²	7	11 Å²	11	3%	0.026	8%	0.075	C	C	.	.	H	α-helix	trans	-67.7	-38.1	179.3	-71.3	179.7	167.7	159.3	-4.3	112.4	W857 Y1068 N1117 L1118 M1123 F1124 A1125 L1133 V1137	W857-R1121 HydrophobicContact CE3-CG 4.48Å; W857-R1121 HydrophobicContact CH2-CB 3.69Å; W857-R1121 HydrophobicContact CH2-CG 3.63Å; W857-R1121 HydrophobicContact CZ2-CB 3.97Å; W857-R1121 HydrophobicContact CZ2-CG 4.04Å; W857-R1121 HydrophobicContact CZ3-CB 4.43Å; W857-R1121 HydrophobicContact CZ3-CG 3.89Å; Y1068-R1121 HydrophobicContact CE2-CG 3.82Å; Y1068-R1121 WeakPolarHBondContact OH-CD 3.36Å; Y1068-R1121 WeakPolarHBondContact OH-CG 3.24Å; Y1068-R1121 PolarHBondContact OH-NE 3Å; N1117-R1121 PolarHBondContact ND2-NH1 3.5Å; N1117-R1121 WeakPolarHBondContact O-CG 3.48Å; N1117-R1121 PolarHBondContact O-N 3.25Å; L1118-R1121 PolarHBondContact O-N 3.17Å; R1121-M1123 VanDerWaalsContact C-N 3.31Å; R1121-M1123 PolarHBondContact O-N 2.93Å; R1121-F1124 WeakPolarHBondContact O-CB 3.47Å; R1121-F1124 PolarHBondContact O-N 3.49Å; R1121-A1125 PolarHBondContact O-N 2.85Å; R1121-L1133 HydrophobicContact CB-CD1 3.97Å; R1121-L1133 HydrophobicContact CB-CD2 3.66Å; R1121-L1133 HydrophobicContact CB-CG 4.5Å; R1121-V1137 WeakPolarHBondContact CD-O 3.41Å; R1121-V1137 VanDerWaalsContact CZ-O 3.32Å; R1121-V1137 PolarHBondContact NE-O 3.09Å; R1121-V1137 VanDerWaalsContact NH1-C 3.33Å; R1121-V1137 PolarHBondContact NH1-O 3.32Å
1122	C	95.6	Very high	94.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62.6	-36.9	172.2	-73.2	0	0	0	0	112.2	I58 F59 I106 L1118 L1119 A1125 H1126	I58-C1122 HydrophobicContact CG2-CB 3.95Å; F59-C1122 HydrophobicContact CZ-CB 3.99Å; I106-C1122 HydrophobicContact CD1-CB 3.55Å; L1118-C1122 WeakPolarHBondContact O-CB 3.26Å; L1118-C1122 PolarHBondContact O-N 3.02Å; L1118-C1122 PolarHBondContact O-SG 3.33Å; L1119-C1122 PolarHBondContact O-N 3.02Å; C1122-A1125 PolarHBondContact O-N 3.38Å; C1122-H1126 VanDerWaalsContact O-CB 3.27Å; C1122-H1126 WeakPolarHBondContact O-CB 2.84Å; C1122-H1126 PolarHBondContact O-N 2.79Å
1123	M	95.8	Very high	94.7	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-64.1	-43	175.7	176.2	54.9	-172.2	0	0	111.5	I106 D107 F110 V1034 L1071 L1119 T1120 R1121 H1126 A1127	I106-M1123 HydrophobicContact CD1-CB 4.28Å; I106-M1123 HydrophobicContact CG1-CB 4.26Å; I106-M1123 HydrophobicContact CG2-SD 4.04Å; D107-M1123 VanDerWaalsContact CA-SD 3.58Å; D107-M1123 HydrophobicContact CB-CE 3.75Å; D107-M1123 HydrophobicContact CB-SD 3.89Å; D107-M1123 WeakPolarHBondContact OD1-CE 3.41Å; F110-M1123 HydrophobicContact CD2-CB 4.02Å; F110-M1123 HydrophobicContact CD2-CG 3.97Å; F110-M1123 HydrophobicContact CD2-SD 4.35Å; F110-M1123 HydrophobicContact CE2-CB 3.79Å; F110-M1123 HydrophobicContact CE2-CG 4.22Å; V1034-M1123 HydrophobicContact CG1-CE 4.25Å; V1034-M1123 HydrophobicContact CG1-CG 4.31Å; L1071-M1123 HydrophobicContact CD1-CB 4.41Å; L1071-M1123 HydrophobicContact CD1-CG 3.94Å; L1071-M1123 HydrophobicContact CD2-CG 4.12Å; L1119-M1123 WeakPolarHBondContact O-CB 3.3Å; L1119-M1123 PolarHBondContact O-N 3.13Å; T1120-M1123 WeakPolarHBondContact O-CB 3.49Å; T1120-M1123 PolarHBondContact O-N 2.72Å; R1121-M1123 VanDerWaalsContact C-N 3.31Å; R1121-M1123 PolarHBondContact O-N 2.93Å; M1123-H1126 PolarHBondContact O-N 3.46Å; M1123-A1127 VanDerWaalsContact O-CB 3.3Å; M1123-A1127 WeakPolarHBondContact O-CB 3.43Å; M1123-A1127 PolarHBondContact O-N 3.4Å
1124	F	95.9	Very high	94.5	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.013	8%	0.075	C	C	.	.	H	α-helix	trans	-60.8	-47	173.7	-92.4	-107.9	0	0	0	112.3	W857 I858 V1034 S1064 D1067 Y1068 L1071 T1120 R1121 L1128	W857-F1124 HydrophobicContact CH2-CB 3.6Å; W857-F1124 HydrophobicContact CH2-CG 4.15Å; W857-F1124 HydrophobicContact CZ3-CB 4.01Å; W857-F1124 HydrophobicContact CZ3-CD1 4.13Å; W857-F1124 HydrophobicContact CZ3-CG 4.03Å; I858-F1124 HydrophobicContact CD1-CE1 3.87Å; I858-F1124 HydrophobicContact CD1-CZ 4.21Å; I858-F1124 HydrophobicContact CG1-CD1 4.18Å; I858-F1124 HydrophobicContact CG1-CE1 3.79Å; I858-F1124 HydrophobicContact CG2-CE1 4.21Å; V1034-F1124 HydrophobicContact CB-CE1 4.46Å; V1034-F1124 HydrophobicContact CB-CZ 4.41Å; V1034-F1124 HydrophobicContact CG1-CD2 4.17Å; V1034-F1124 HydrophobicContact CG1-CE2 4.2Å; V1034-F1124 HydrophobicContact CG2-CD1 3.49Å; V1034-F1124 VanDerWaalsContact CG2-CD1 3.49Å; V1034-F1124 HydrophobicContact CG2-CD2 4.2Å; V1034-F1124 HydrophobicContact CG2-CE1 3.55Å; V1034-F1124 HydrophobicContact CG2-CE2 4.28Å; V1034-F1124 HydrophobicContact CG2-CG 3.82Å; V1034-F1124 HydrophobicContact CG2-CZ 3.95Å; S1064-F1124 WeakPolarHBondContact O-CZ 3.42Å; D1067-F1124 HydrophobicContact CB-CZ 4.38Å; Y1068-F1124 HydrophobicContact CD2-CD2 4.06Å; Y1068-F1124 HydrophobicContact CD2-CE1 4.49Å; Y1068-F1124 AromaticContact CD2-CE2 3.63Å; Y1068-F1124 HydrophobicContact CD2-CE2 3.63Å; Y1068-F1124 AromaticContact CD2-CZ 3.9Å; Y1068-F1124 HydrophobicContact CD2-CZ 3.9Å; Y1068-F1124 HydrophobicContact CG-CE2 4.06Å; Y1068-F1124 HydrophobicContact CG-CZ 4.32Å; L1071-F1124 HydrophobicContact CD1-CD2 4.09Å; L1071-F1124 HydrophobicContact CD1-CE2 3.75Å; T1120-F1124 HydrophobicContact CG2-CD2 4.29Å; T1120-F1124 HydrophobicContact CG2-CE2 4.23Å; T1120-F1124 WeakPolarHBondContact O-CD2 3.46Å; T1120-F1124 PolarHBondContact O-N 3.48Å; T1120-F1124 VanDerWaalsContact O-N 3.09Å; R1121-F1124 WeakPolarHBondContact O-CB 3.47Å; R1121-F1124 PolarHBondContact O-N 3.49Å; F1124-L1128 WeakPolarHBondContact O-CB 3.31Å; F1124-L1128 WeakPolarHBondContact O-CG 3.38Å; F1124-L1128 PolarHBondContact O-N 3.09Å
1125	A	94.8	Very high	94.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.3	-47.5	176.7	0	0	0	0	0	111.2	R1121 C1122 A1127 L1128 G1129 M1130 L1133	R1121-A1125 PolarHBondContact O-N 2.85Å; C1122-A1125 PolarHBondContact O-N 3.38Å; A1125-A1127 PolarHBondContact O-N 3.16Å; A1125-L1128 CarbonylContact O-C 3.49Å; A1125-L1128 PolarHBondContact O-N 3.41Å; A1125-G1129 PolarHBondContact O-N 2.84Å; A1125-M1130 CarbonylContact C-O 3.58Å; A1125-M1130 HydrophobicContact CB-CB 4.24Å; A1125-M1130 PolarHBondContact O-N 3.09Å; A1125-M1130 VanDerWaalsContact O-O 3.13Å; A1125-L1133 HydrophobicContact CB-CD1 4.36Å
1126	H	94.1	Very high	93.9	Very high	35 Å²	35	13.8 Å²	13.8	16%	0.162	9%	0.093	C	C	.	.	H	α-helix	trans	-61.4	-45.9	179.6	-177.2	77.9	0	0	0	112.5	F59 N105 I106 C1122 M1123 L1128 G1129 M1130 Q1131	F59-H1126 HydrophobicContact CE1-CB 4.42Å; N105-H1126 PolarHBondContact ND2-NE2 3.39Å; I106-H1126 HydrophobicContact CG2-CB 3.59Å; C1122-H1126 VanDerWaalsContact O-CB 3.27Å; C1122-H1126 WeakPolarHBondContact O-CB 2.84Å; C1122-H1126 PolarHBondContact O-N 2.79Å; M1123-H1126 PolarHBondContact O-N 3.46Å; H1126-L1128 PolarHBondContact O-N 3.22Å; H1126-G1129 PolarHBondContact O-N 3.29Å; H1126-M1130 WeakPolarHBondContact CA-O 3.47Å; H1126-M1130 PolarHBondContact N-O 3.27Å; H1126-Q1131 PolarHBondContact CE1-OE1 3.32Å; H1126-Q1131 PolarHBondContact ND1-NE2 2.86Å; H1126-Q1131 PolarHBondContact ND1-OE1 2.9Å
1127	A	93.4	Very high	93.7	Very high	41 Å²	41	14.5 Å²	14.5	34%	0.339	10%	0.098	S	C	.	.	H	α-helix	trans	-62.5	-28.5	178.4	0	0	0	0	0	112.6	V1034 M1123 A1125 G1129	V1034-A1127 HydrophobicContact CB-CB 4.38Å; V1034-A1127 HydrophobicContact CG1-CB 4.1Å; V1034-A1127 HydrophobicContact CG2-CB 4.31Å; M1123-A1127 VanDerWaalsContact O-CB 3.3Å; M1123-A1127 WeakPolarHBondContact O-CB 3.43Å; M1123-A1127 PolarHBondContact O-N 3.4Å; A1125-A1127 PolarHBondContact O-N 3.16Å; A1127-G1129 VanDerWaalsContact C-N 3.32Å
1128	L	92.8	Very high	93.5	Very high	29 Å²	29	14.5 Å²	14.5	15%	0.152	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.1	175.3	-65.5	174.2	0	0	0	113.6	V861 L862 A865 P1033 F1124 A1125 H1126 M1130	V861-L1128 HydrophobicContact CB-CD1 4.31Å; V861-L1128 HydrophobicContact CG1-CD1 3.49Å; V861-L1128 VanDerWaalsContact CG1-CD1 3.49Å; L862-L1128 HydrophobicContact CD2-CD1 3.91Å; L862-L1128 HydrophobicContact CD2-CD2 3.6Å; L862-L1128 HydrophobicContact CD2-CG 4.43Å; L862-L1128 HydrophobicContact CG-CD1 4.49Å; A865-L1128 HydrophobicContact CB-CB 3.98Å; P1033-L1128 HydrophobicContact CB-CD2 3.87Å; P1033-L1128 HydrophobicContact CG-CD2 4.45Å; F1124-L1128 WeakPolarHBondContact O-CB 3.31Å; F1124-L1128 WeakPolarHBondContact O-CG 3.38Å; F1124-L1128 PolarHBondContact O-N 3.09Å; A1125-L1128 CarbonylContact O-C 3.49Å; A1125-L1128 PolarHBondContact O-N 3.41Å; H1126-L1128 PolarHBondContact O-N 3.22Å; L1128-M1130 HydrophobicContact CB-CE 3.89Å; L1128-M1130 HydrophobicContact CD1-CE 4.47Å
1129	G	91	Very high	93.4	Very high	57 Å²	57	15.6 Å²	15.6	59%	0.588	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	5.4	176.1	0	0	0	0	0	115.2	A1125 H1126 A1127	A1125-G1129 PolarHBondContact O-N 2.84Å; H1126-G1129 PolarHBondContact O-N 3.29Å; A1127-G1129 VanDerWaalsContact C-N 3.32Å
1130	M	90.9	Very high	93.1	Very high	8 Å²	8	15.8 Å²	15.8	4%	0.039	10%	0.103	C	C	.	.			trans	-96.4	120.7	178.6	-68.8	174.4	-74.6	0	0	110.8	V861 A865 A1125 H1126 L1128 D1132	V861-M1130 HydrophobicContact CG1-CE 3.25Å; A865-M1130 HydrophobicContact CB-CE 4.06Å; A1125-M1130 CarbonylContact C-O 3.58Å; A1125-M1130 HydrophobicContact CB-CB 4.24Å; A1125-M1130 PolarHBondContact O-N 3.09Å; A1125-M1130 VanDerWaalsContact O-O 3.13Å; H1126-M1130 WeakPolarHBondContact CA-O 3.47Å; H1126-M1130 PolarHBondContact N-O 3.27Å; L1128-M1130 HydrophobicContact CB-CE 3.89Å; L1128-M1130 HydrophobicContact CD1-CE 4.47Å; M1130-D1132 VanDerWaalsContact C-N 3.32Å; M1130-D1132 PolarHBondContact O-N 3.23Å
1131	Q	91	Very high	92.8	Very high	46 Å²	46	19.6 Å²	19.6	22%	0.215	13%	0.13	C	C	.	.			trans	-95.8	34.1	-177	-54.5	-56.1	-32.6	0	0	113.3	H55 F59 I62 H1126	H55-Q1131 PolarHBondContact NE2-O 3.05Å; H55-Q1131 VanDerWaalsContact NE2-O 3.07Å; F59-Q1131 HydrophobicContact CD1-CB 4.21Å; F59-Q1131 WeakPolarHBondContact CG-O 3.39Å; I62-Q1131 HydrophobicContact CG2-CB 4.44Å; I62-Q1131 HydrophobicContact CG2-CG 4.38Å; H1126-Q1131 PolarHBondContact CE1-OE1 3.32Å; H1126-Q1131 PolarHBondContact ND1-NE2 2.86Å; H1126-Q1131 PolarHBondContact ND1-OE1 2.9Å
1132	D	92	Very high	92.7	Very high	3 Å²	3	20.5 Å²	20.5	2%	0.016	14%	0.139	C	C	.	.			trans	-160.1	168	174.5	-151	-18.4	0	0	0	109.9	R41 M49 H55 P64 H871 M1130	R41-D1132 IonicContact CZ-OD2 2.78Å; R41-D1132 IonicContact NH1-OD1 3.32Å; R41-D1132 IonicContact NH1-OD2 3.22Å; R41-D1132 PolarHBondContact NH1-OD2 3.21Å; R41-D1132 IonicContact NH2-OD2 3.46Å; R41-D1132 PolarHBondContact NH2-OD2 3.49Å; M49-D1132 HydrophobicContact CE-CB 3.56Å; M49-D1132 VanDerWaalsContact CE-CG 3.46Å; H55-D1132 IonicContact CD2-OD1 3.87Å; H55-D1132 PolarHBondContact CD2-OD1 3.22Å; H55-D1132 IonicContact CD2-OD2 3.57Å; H55-D1132 IonicContact NE2-OD2 3.44Å; P64-D1132 HydrophobicContact CG-CB 4.46Å; H871-D1132 PolarHBondContact CD2-O 3.05Å; H871-D1132 PolarHBondContact NE2-O 3.02Å; M1130-D1132 VanDerWaalsContact C-N 3.32Å; M1130-D1132 PolarHBondContact O-N 3.23Å
1133	L	94	Very high	92.7	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.139	C	C	.	.			trans	-137.3	141.6	178.3	-172.9	73.3	0	0	0	110.7	M49 L50 W857 L1118 R1121 A1125 V1137 A1138	M49-L1133 VanDerWaalsContact CE-C 3.47Å; M49-L1133 WeakPolarHBondContact CE-O 3.34Å; L50-L1133 HydrophobicContact CD1-CB 3.98Å; L50-L1133 HydrophobicContact CG-CB 4.09Å; L50-L1133 WeakPolarHBondContact CG-O 3.31Å; L50-L1133 PolarHBondContact N-O 3.13Å; W857-L1133 HydrophobicContact CZ2-CD1 3.96Å; L1118-L1133 HydrophobicContact CD1-CD2 4.13Å; R1121-L1133 HydrophobicContact CB-CD1 3.97Å; R1121-L1133 HydrophobicContact CB-CD2 3.66Å; R1121-L1133 HydrophobicContact CB-CG 4.5Å; A1125-L1133 HydrophobicContact CB-CD1 4.36Å; L1133-V1137 HydrophobicContact CD1-CG2 3.98Å; L1133-V1137 HydrophobicContact CG-CG2 4.12Å; L1133-A1138 HydrophobicContact CD2-CB 4.45Å
1134	P	93.2	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-67.7	139.9	171.7	-20.5	34.1	0	0	0	112	I47 Q48 M49 H871 L881 S1136 V1137 A1138	I47-P1134 HydrophobicContact CG2-CB 4.07Å; I47-P1134 HydrophobicContact CG2-CG 4.43Å; Q48-P1134 WeakPolarHBondContact O-CA 3.47Å; M49-P1134 HydrophobicContact CE-CG 4.47Å; H871-P1134 HydrophobicContact CB-CG 3.59Å; L881-P1134 HydrophobicContact CD1-CB 4.4Å; L881-P1134 HydrophobicContact CD1-CG 3.82Å; L881-P1134 HydrophobicContact CD2-CB 4.05Å; L881-P1134 HydrophobicContact CD2-CG 3.93Å; P1134-S1136 VanDerWaalsContact C-N 3.3Å; P1134-S1136 PolarHBondContact O-N 3.24Å; P1134-V1137 HydrophobicContact CB-CG2 4.2Å; P1134-V1137 HydrophobicContact CG-CG2 4.42Å; P1134-V1137 WeakPolarHBondContact O-CG2 3.28Å; P1134-V1137 PolarHBondContact O-N 3.35Å; P1134-A1138 PolarHBondContact O-N 3.19Å
1135	Q	91	Very high	92.8	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.028	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-68	-29	-178	-174.4	140.6	-26.2	0	0	113	Q48 M49 L91 P92 V1137 A1138	Q48-Q1135 HydrophobicContact CG-CB 4.03Å; Q48-Q1135 PolarHBondContact O-N 3.02Å; M49-Q1135 PolarHBondContact O-OE1 2.96Å; L91-Q1135 HydrophobicContact CD1-CG 4.48Å; P92-Q1135 PolarHBondContact O-NE2 3.32Å; Q1135-V1137 PolarHBondContact O-N 3.39Å; Q1135-A1138 WeakPolarHBondContact O-CB 3.35Å; Q1135-A1138 PolarHBondContact O-N 2.91Å
1136	S	89	Confident	92.9	Very high	52 Å²	52	22 Å²	22	36%	0.364	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-61.6	-25.7	178.5	59.7	0	0	0	0	113.8	L881 P1134	L881-S1136 PolarHBondContact O-OG 2.97Å; P1134-S1136 VanDerWaalsContact C-N 3.3Å; P1134-S1136 PolarHBondContact O-N 3.24Å
1137	V	91.6	Very high	93	Very high	15 Å²	15	24 Å²	24	9%	0.091	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-108.1	5.9	175.2	-59	0	0	0	0	111.7	L881 R1121 L1133 P1134 Q1135 F1139	L881-V1137 HydrophobicContact CD2-CG1 3.54Å; L881-V1137 HydrophobicContact CD2-CG2 4.14Å; R1121-V1137 WeakPolarHBondContact CD-O 3.41Å; R1121-V1137 VanDerWaalsContact CZ-O 3.32Å; R1121-V1137 PolarHBondContact NE-O 3.09Å; R1121-V1137 VanDerWaalsContact NH1-C 3.33Å; R1121-V1137 PolarHBondContact NH1-O 3.32Å; L1133-V1137 HydrophobicContact CD1-CG2 3.98Å; L1133-V1137 HydrophobicContact CG-CG2 4.12Å; P1134-V1137 HydrophobicContact CB-CG2 4.2Å; P1134-V1137 HydrophobicContact CG-CG2 4.42Å; P1134-V1137 WeakPolarHBondContact O-CG2 3.28Å; P1134-V1137 PolarHBondContact O-N 3.35Å; Q1135-V1137 PolarHBondContact O-N 3.39Å; V1137-F1139 VanDerWaalsContact C-N 3.34Å; V1137-F1139 PolarHBondContact O-N 2.96Å
1138	A	92.1	Very high	93	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-41	179.2	0	0	0	0	0	111.8	L50 N1117 L1118 L1133 P1134 Q1135	L50-A1138 HydrophobicContact CD2-CB 3.59Å; N1117-A1138 PolarHBondContact ND2-O 3.4Å; N1117-A1138 VanDerWaalsContact ND2-O 3.16Å; L1118-A1138 WeakPolarHBondContact CA-O 3.46Å; L1118-A1138 HydrophobicContact CD1-CB 4.01Å; L1118-A1138 PolarHBondContact N-O 3.42Å; L1133-A1138 HydrophobicContact CD2-CB 4.45Å; P1134-A1138 PolarHBondContact O-N 3.19Å; Q1135-A1138 WeakPolarHBondContact O-CB 3.35Å; Q1135-A1138 PolarHBondContact O-N 2.91Å
1139	F	93.4	Very high	93.1	Very high	22 Å²	22	20.9 Å²	20.9	10%	0.096	13%	0.134	C	C	.	.	S	Bend	trans	-119.5	158.4	-170.5	-57	-68.1	0	0	0	111.2	L54 V94 Q1114 L1118 V1137 M1180	L54-F1139 HydrophobicContact CD1-CE2 4.49Å; L54-F1139 HydrophobicContact CD1-CZ 3.92Å; V94-F1139 HydrophobicContact CB-CE2 4.08Å; V94-F1139 HydrophobicContact CB-CZ 4.24Å; V94-F1139 HydrophobicContact CG1-CE2 4.3Å; V94-F1139 HydrophobicContact CG1-CZ 4Å; V94-F1139 HydrophobicContact CG2-CD2 4.46Å; V94-F1139 HydrophobicContact CG2-CE2 3.8Å; V94-F1139 HydrophobicContact CG2-CZ 4.33Å; Q1114-F1139 HydrophobicContact CB-CD1 4.25Å; L1118-F1139 HydrophobicContact CB-CE1 4.46Å; L1118-F1139 HydrophobicContact CD2-CE1 4.16Å; L1118-F1139 HydrophobicContact CD2-CZ 4.31Å; V1137-F1139 VanDerWaalsContact C-N 3.34Å; V1137-F1139 PolarHBondContact O-N 2.96Å; F1139-M1180 HydrophobicContact CB-CB 4.33Å; F1139-M1180 HydrophobicContact CD1-CE 4.21Å; F1139-M1180 HydrophobicContact CD1-CG 3.92Å; F1139-M1180 HydrophobicContact CD1-SD 3.79Å; F1139-M1180 HydrophobicContact CD2-CG 4.25Å; F1139-M1180 HydrophobicContact CE1-CE 3.73Å; F1139-M1180 HydrophobicContact CE1-CG 4.13Å; F1139-M1180 HydrophobicContact CE1-SD 3.95Å; F1139-M1180 HydrophobicContact CE2-CG 4.45Å; F1139-M1180 HydrophobicContact CG-CB 4.21Å; F1139-M1180 HydrophobicContact CG-CG 3.98Å; F1139-M1180 HydrophobicContact CG-SD 4.41Å; F1139-M1180 HydrophobicContact CZ-CE 4.25Å; F1139-M1180 HydrophobicContact CZ-CG 4.39Å
1140	F	91.7	Very high	93.2	Very high	7 Å²	7	18.5 Å²	18.5	3%	0.031	11%	0.107	C	C	.	.			trans	-66.1	147.9	165.2	-65.6	-75	0	0	0	110.1	A849 D850 V851 M1072 L1113 Q1114 N1117 A1142 V1143	A849-F1140 HydrophobicContact CB-CB 4.3Å; A849-F1140 HydrophobicContact CB-CD1 3.64Å; A849-F1140 HydrophobicContact CB-CD2 3.95Å; A849-F1140 HydrophobicContact CB-CE1 3.81Å; A849-F1140 HydrophobicContact CB-CE2 4.11Å; A849-F1140 HydrophobicContact CB-CG 3.7Å; A849-F1140 HydrophobicContact CB-CZ 4.05Å; D850-F1140 WeakPolarHBondContact O-CD1 3.45Å; V851-F1140 HydrophobicContact CB-CE1 4.18Å; V851-F1140 HydrophobicContact CG2-CE1 3.64Å; V851-F1140 HydrophobicContact CG2-CZ 4.11Å; M1072-F1140 HydrophobicContact CE-CE2 4.48Å; M1072-F1140 HydrophobicContact CE-CZ 3.75Å; L1113-F1140 HydrophobicContact CD1-CE2 4.2Å; L1113-F1140 HydrophobicContact CG-CD2 4.43Å; L1113-F1140 HydrophobicContact CG-CE2 3.77Å; L1113-F1140 HydrophobicContact CG-CZ 4.48Å; L1113-F1140 WeakPolarHBondContact O-CE2 3.45Å; Q1114-F1140 PolarHBondContact NE2-O 3.39Å; N1117-F1140 HydrophobicContact CB-CD2 3.92Å; N1117-F1140 HydrophobicContact CB-CE1 4.41Å; N1117-F1140 HydrophobicContact CB-CE2 3.27Å; N1117-F1140 HydrophobicContact CB-CZ 3.55Å; F1140-A1142 VanDerWaalsContact C-N 3.26Å; F1140-A1142 PolarHBondContact O-N 2.91Å; F1140-V1143 HydrophobicContact CB-CG2 4.46Å; F1140-V1143 HydrophobicContact CD2-CG2 4.22Å
1141	S	89.2	Confident	93	Very high	80 Å²	80	22.2 Å²	22.2	56%	0.559	12%	0.123	S	C	*	.	S	Bend	trans	-54.8	-45.2	169.5	47.1	0	0	0	0	111.5	D852	D852-S1141 VanDerWaalsContact OD2-CB 3.29Å; D852-S1141 WeakPolarHBondContact OD2-CB 3.4Å; D852-S1141 PolarHBondContact OD2-OG 2.72Å
1142	A	93.3	Very high	92.9	Very high	26 Å²	26	24.1 Å²	24.1	22%	0.215	13%	0.132	C	C	.	.			trans	-152.2	156.8	168.8	0	0	0	0	0	111.3	F1140 A1177 L1178	F1140-A1142 VanDerWaalsContact C-N 3.26Å; F1140-A1142 PolarHBondContact O-N 2.91Å; A1142-A1177 HydrophobicContact CB-CB 4.06Å; A1142-L1178 CarbonylContact C-O 3.54Å; A1142-L1178 WeakPolarHBondContact CA-O 3.19Å
1143	V	96.4	Very high	92.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.3	165.5	178.6	0	0	0	0	108.7	V847 A849 A1110 L1113 Q1114 F1140 L1178 I1183	V847-V1143 HydrophobicContact CG1-CG1 3.8Å; A849-V1143 HydrophobicContact CB-CG2 4.35Å; A1110-V1143 HydrophobicContact CB-CB 4.22Å; A1110-V1143 HydrophobicContact CB-CG1 3.76Å; L1113-V1143 HydrophobicContact CD2-CG1 3.99Å; L1113-V1143 HydrophobicContact CD2-CG2 4.44Å; Q1114-V1143 HydrophobicContact CG-CG2 3.86Å; F1140-V1143 HydrophobicContact CB-CG2 4.46Å; F1140-V1143 HydrophobicContact CD2-CG2 4.22Å; V1143-L1178 PolarHBondContact N-O 3.34Å; V1143-L1178 PolarHBondContact O-N 2.78Å; V1143-I1183 HydrophobicContact CB-CD1 4.19Å; V1143-I1183 HydrophobicContact CG2-CD1 4.17Å
1144	D	96.3	Very high	92.8	Very high	24 Å²	24	29.2 Å²	29.2	13%	0.128	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.1	179.7	-56.4	-39.8	0	0	0	110.6	V847 G848 R1098 V1153 E1176	V847-D1144 WeakPolarHBondContact CA-O 3.47Å; G848-D1144 PolarHBondContact N-O 3.44Å; G848-D1144 WeakPolarHBondContact O-CA 3.3Å; G848-D1144 WeakPolarHBondContact O-CB 3.5Å; G848-D1144 PolarHBondContact O-N 3.14Å; R1098-D1144 IonicContact CZ-OD2 2.62Å; R1098-D1144 IonicContact NH1-OD2 3.52Å; R1098-D1144 PolarHBondContact NH1-OD2 3.46Å; R1098-D1144 IonicContact NH2-OD2 2.72Å; R1098-D1144 PolarHBondContact NH2-OD2 3.17Å; D1144-V1153 HydrophobicContact CB-CG1 3.54Å; D1144-E1176 CarbonylContact C-O 3.6Å
1145	I	97.4	Very high	92.8	Very high	3 Å²	3	32 Å²	32	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	116.4	172.5	-54.7	-179.8	0	0	0	108	H845 L846 V847 R1106 Y1107 A1110 G1175 E1176 L1178	H845-I1145 HydrophobicContact CB-CG2 4.08Å; L846-I1145 WeakPolarHBondContact O-CA 3.38Å; V847-I1145 HydrophobicContact CG1-CG1 4.49Å; V847-I1145 HydrophobicContact CG2-CG1 4.31Å; V847-I1145 HydrophobicContact CG2-CG2 4.45Å; R1106-I1145 HydrophobicContact CB-CG2 4.08Å; R1106-I1145 HydrophobicContact CG-CD1 4.4Å; R1106-I1145 HydrophobicContact CG-CG2 4.2Å; Y1107-I1145 HydrophobicContact CD1-CD1 3.71Å; Y1107-I1145 HydrophobicContact CE1-CD1 3.85Å; A1110-I1145 HydrophobicContact CB-CD1 4.06Å; I1145-G1175 WeakPolarHBondContact O-CA 3.44Å; I1145-E1176 HydrophobicContact CB-CB 4.42Å; I1145-E1176 PolarHBondContact N-O 3.33Å; I1145-E1176 PolarHBondContact O-N 3.33Å; I1145-L1178 HydrophobicContact CD1-CD1 3.96Å
1146	D	96.8	Very high	92.8	Very high	9 Å²	9	34 Å²	34	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	165.8	-171.9	-147.6	-36.8	0	0	0	112.7	H845 L846 C1148 R1150 V1153	H845-D1146 CarbonylContact C-O 3.52Å; H845-D1146 WeakPolarHBondContact CA-O 3.35Å; L846-D1146 PolarHBondContact N-O 3.2Å; L846-D1146 PolarHBondContact O-N 3.27Å; D1146-C1148 WeakPolarHBondContact CB-O 3.31Å; D1146-C1148 PolarHBondContact OD1-N 3.26Å; D1146-R1150 VanDerWaalsContact CG-NH2 3.3Å; D1146-R1150 IonicContact OD1-CZ 3.3Å; D1146-R1150 IonicContact OD1-NE 3.9Å; D1146-R1150 IonicContact OD1-NH2 3.59Å; D1146-R1150 PolarHBondContact OD1-NH2 3.04Å; D1146-R1150 IonicContact OD2-CZ 3.28Å; D1146-R1150 IonicContact OD2-NE 3.75Å; D1146-R1150 PolarHBondContact OD2-NE 3.18Å; D1146-R1150 IonicContact OD2-NH2 3.7Å; D1146-R1150 PolarHBondContact OD2-NH2 3.05Å; D1146-V1153 HydrophobicContact CB-CG1 4.31Å
1147	Q	95.6	Very high	93.1	Very high	75 Å²	75	31.9 Å²	31.9	35%	0.35	17%	0.173	S	C	.	.	S	Bend	trans	-93.2	-17.7	172.7	-65.4	-179.3	-18.4	0	0	112.4	V840 I1172	V840-Q1147 HydrophobicContact CG2-CB 4.17Å; V840-Q1147 WeakPolarHBondContact CG2-O 3.28Å; V840-Q1147 PolarHBondContact N-O 3.15Å; Q1147-I1172 HydrophobicContact CB-CG2 4.13Å
1148	C	95.1	Very high	93.2	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.014	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-129.4	159.4	174.9	72.1	0	0	0	0	111.9	V838 Q839 D1146 R1150 I1172	V838-C1148 VanDerWaalsContact O-CA 3.31Å; V838-C1148 WeakPolarHBondContact O-CA 3.35Å; Q839-C1148 HydrophobicContact CG-CB 4.14Å; D1146-C1148 WeakPolarHBondContact CB-O 3.31Å; D1146-C1148 PolarHBondContact OD1-N 3.26Å; C1148-R1150 PolarHBondContact O-N 3.23Å; C1148-I1172 HydrophobicContact CB-CD1 4.34Å
1149	L	94.3	Very high	93.3	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	18%	0.181	C	C	.	.			trans	-85.4	107.5	177.4	-179.3	65.7	0	0	0	110.6	K835 A836 V838 L846 V1091 I1093 R1098	K835-L1149 CarbonylContact C-O 3.44Å; K835-L1149 HydrophobicContact CB-CD2 4.48Å; K835-L1149 HydrophobicContact CB-CG 4.37Å; K835-L1149 VanDerWaalsContact CB-O 3.29Å; K835-L1149 WeakPolarHBondContact CB-O 3.44Å; K835-L1149 WeakPolarHBondContact O-CB 3.26Å; K835-L1149 VanDerWaalsContact O-O 3.06Å; A836-L1149 VanDerWaalsContact CA-O 3.26Å; A836-L1149 WeakPolarHBondContact CA-O 3.38Å; A836-L1149 PolarHBondContact N-O 3.15Å; V838-L1149 HydrophobicContact CB-CB 3.94Å; V838-L1149 HydrophobicContact CB-CD2 4.44Å; V838-L1149 HydrophobicContact CG1-CB 4.33Å; V838-L1149 HydrophobicContact CG2-CD2 4.43Å; V838-L1149 PolarHBondContact O-N 3.43Å; L846-L1149 HydrophobicContact CD1-CB 3.74Å; L846-L1149 HydrophobicContact CD1-CD1 4.41Å; V1091-L1149 HydrophobicContact CG1-CD2 4.35Å; I1093-L1149 HydrophobicContact CD1-CD2 4.17Å; R1098-L1149 HydrophobicContact CG-CD1 3.67Å
1150	R	92	Very high	93.2	Very high	8 Å²	8	33.6 Å²	33.6	3%	0.03	19%	0.186	C	C	.	.			trans	-136.3	160.2	172.2	53.3	-179.9	165	-159.1	-16.4	110.8	D1146 C1148 E1152 V1153 M1155 P1173 P1174	D1146-R1150 VanDerWaalsContact CG-NH2 3.3Å; D1146-R1150 IonicContact OD1-CZ 3.3Å; D1146-R1150 IonicContact OD1-NE 3.9Å; D1146-R1150 IonicContact OD1-NH2 3.59Å; D1146-R1150 PolarHBondContact OD1-NH2 3.04Å; D1146-R1150 IonicContact OD2-CZ 3.28Å; D1146-R1150 IonicContact OD2-NE 3.75Å; D1146-R1150 PolarHBondContact OD2-NE 3.18Å; D1146-R1150 IonicContact OD2-NH2 3.7Å; D1146-R1150 PolarHBondContact OD2-NH2 3.05Å; C1148-R1150 PolarHBondContact O-N 3.23Å; R1150-E1152 VanDerWaalsContact CD-O 3.24Å; R1150-E1152 WeakPolarHBondContact CD-O 3.22Å; R1150-E1152 WeakPolarHBondContact CG-O 3.3Å; R1150-V1153 PolarHBondContact NE-O 3.04Å; R1150-V1153 PolarHBondContact NH1-O 3.04Å; R1150-V1153 PolarHBondContact NH2-O 3.23Å; R1150-V1153 VanDerWaalsContact NH2-O 3.1Å; R1150-M1155 WeakPolarHBondContact CD-O 3.39Å; R1150-M1155 PolarHBondContact NH1-O 3.27Å; R1150-P1173 PolarHBondContact NH2-O 2.79Å; R1150-P1174 VanDerWaalsContact NH2-CA 3.31Å
1151	K	86.9	Confident	93.3	Very high	86 Å²	86	33.4 Å²	33.4	37%	0.374	19%	0.185	S	C	.	.	S	Bend	trans	-63.2	-42.9	-176.4	-169.3	-152.2	172.4	-149.8	0	111.9	N824	N824-K1151 HydrophobicContact CB-CB 4.47Å; N824-K1151 WeakPolarHBondContact ND2-CD 3.37Å
1152	E	90	Very high	93.5	Very high	86 Å²	86	29.6 Å²	29.6	40%	0.402	16%	0.159	S	C	.	.	S	Bend	trans	-131.1	130.8	179.3	-70	162.6	-146.6	0	0	106.7	R1150 T1154 M1155	R1150-E1152 VanDerWaalsContact CD-O 3.24Å; R1150-E1152 WeakPolarHBondContact CD-O 3.22Å; R1150-E1152 WeakPolarHBondContact CG-O 3.3Å; E1152-T1154 PolarHBondContact O-N 3.45Å; E1152-T1154 VanDerWaalsContact O-N 3.09Å; E1152-M1155 HydrophobicContact CB-CB 4.32Å; E1152-M1155 VanDerWaalsContact O-CB 3.26Å; E1152-M1155 WeakPolarHBondContact O-CB 3.43Å; E1152-M1155 PolarHBondContact O-N 3.05Å
1153	V	91.3	Very high	93.4	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.036	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.8	-174.9	-60.6	0	0	0	0	114	D1144 D1146 R1150 P1174 G1175 A1177	D1144-V1153 HydrophobicContact CB-CG1 3.54Å; D1146-V1153 HydrophobicContact CB-CG1 4.31Å; R1150-V1153 PolarHBondContact NE-O 3.04Å; R1150-V1153 PolarHBondContact NH1-O 3.04Å; R1150-V1153 PolarHBondContact NH2-O 3.23Å; R1150-V1153 VanDerWaalsContact NH2-O 3.1Å; V1153-P1174 WeakPolarHBondContact O-CA 3.13Å; V1153-G1175 WeakPolarHBondContact CG2-O 3.26Å; V1153-G1175 PolarHBondContact O-N 3.11Å; V1153-A1177 HydrophobicContact CG2-CB 3.67Å
1154	T	92.6	Very high	93.2	Very high	104 Å²	104	35 Å²	35	64%	0.638	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.5	176.5	55.7	0	0	0	0	113.1	E1152 D1156	E1152-T1154 PolarHBondContact O-N 3.45Å; E1152-T1154 VanDerWaalsContact O-N 3.09Å; T1154-D1156 PolarHBondContact O-N 3.38Å
1155	M	92	Very high	93.1	Very high	59 Å²	59	33.8 Å²	33.8	29%	0.291	18%	0.184	S	C	.	.			trans	-77.3	117.5	-178.7	-176.1	175.5	-82.3	0	0	110.2	A825 R1150 E1152 C1157	A825-M1155 HydrophobicContact CB-SD 4.41Å; R1150-M1155 WeakPolarHBondContact CD-O 3.39Å; R1150-M1155 PolarHBondContact NH1-O 3.27Å; E1152-M1155 HydrophobicContact CB-CB 4.32Å; E1152-M1155 VanDerWaalsContact O-CB 3.26Å; E1152-M1155 WeakPolarHBondContact O-CB 3.43Å; E1152-M1155 PolarHBondContact O-N 3.05Å; M1155-C1157 PolarHBondContact O-N 3.28Å
1156	D	92.8	Very high	92.9	Very high	47 Å²	47	33.7 Å²	33.7	25%	0.251	18%	0.184	S	C	.	.			trans	-78.2	1.4	179.6	-167	32.5	0	0	0	113.8	T1154 V1158 G1165 M1166 E1167	T1154-D1156 PolarHBondContact O-N 3.38Å; D1156-V1158 VanDerWaalsContact C-N 3.32Å; D1156-V1158 HydrophobicContact CB-CG2 4.4Å; D1156-V1158 PolarHBondContact O-N 3.38Å; D1156-G1165 CarbonylContact O-C 3.36Å; D1156-G1165 VanDerWaalsContact O-CA 3.29Å; D1156-G1165 WeakPolarHBondContact O-CA 3.43Å; D1156-G1165 WeakPolarHBondContact OD2-CA 3.13Å; D1156-M1166 WeakPolarHBondContact O-CG 3.37Å; D1156-M1166 PolarHBondContact O-N 3.34Å; D1156-M1166 PolarHBondContact OD1-N 3.33Å; D1156-E1167 PolarHBondContact OD1-N 3.36Å
1157	C	93.9	Very high	92.7	Very high	7 Å²	7	38.6 Å²	38.6	5%	0.047	21%	0.206	C	C	.	.			trans	50.6	44.7	177.2	-59.6	0	0	0	0	114.7	A825 E833 A836 M1155 T1159 N1162 M1166	A825-C1157 HydrophobicContact CB-CB 3.78Å; E833-C1157 HydrophobicContact CB-CB 4.25Å; A836-C1157 HydrophobicContact CB-CB 4.28Å; M1155-C1157 PolarHBondContact O-N 3.28Å; C1157-T1159 PolarHBondContact O-N 3.32Å; C1157-N1162 PolarHBondContact O-ND2 3.49Å; C1157-M1166 HydrophobicContact CB-CG 3.9Å
1158	V	94.3	Very high	92.6	Very high	41 Å²	41	45 Å²	45	25%	0.248	23%	0.227	C	C	.	.			trans	-69.9	125	173.8	-179.9	0	0	0	0	110.6	R827 D1156 N1162	R827-V1158 WeakPolarHBondContact CA-O 3.25Å; R827-V1158 WeakPolarHBondContact CG-O 3.48Å; D1156-V1158 VanDerWaalsContact C-N 3.32Å; D1156-V1158 HydrophobicContact CB-CG2 4.4Å; D1156-V1158 PolarHBondContact O-N 3.38Å; V1158-N1162 WeakPolarHBondContact CA-O 3.48Å
1159	T	93.4	Very high	92.4	Very high	3 Å²	3	47.3 Å²	47.3	2%	0.018	24%	0.236	C	C	.	.			trans	-141.2	171.7	178.9	69	0	0	0	0	110	A825 S832 E833 C1157 S1161 N1162 P1163	A825-T1159 HydrophobicContact CB-CG2 4.07Å; S832-T1159 WeakPolarHBondContact OG-CG2 3.43Å; E833-T1159 HydrophobicContact CB-CG2 3.87Å; E833-T1159 HydrophobicContact CG-CG2 4.47Å; E833-T1159 PolarHBondContact OE1-OG1 3.25Å; E833-T1159 VanDerWaalsContact OE2-CB 3.28Å; E833-T1159 WeakPolarHBondContact OE2-CB 3.41Å; E833-T1159 VanDerWaalsContact OE2-CG2 3.24Å; E833-T1159 WeakPolarHBondContact OE2-CG2 3.32Å; E833-T1159 PolarHBondContact OE2-OG1 3.43Å; C1157-T1159 PolarHBondContact O-N 3.32Å; T1159-S1161 VanDerWaalsContact C-N 3.27Å; T1159-S1161 PolarHBondContact O-N 3.1Å; T1159-S1161 PolarHBondContact OG1-OG 3.11Å; T1159-N1162 PolarHBondContact N-O 2.84Å; T1159-N1162 VanDerWaalsContact N-O 3.08Å; T1159-N1162 CarbonylContact O-C 3.43Å; T1159-N1162 PolarHBondContact O-N 3.19Å; T1159-N1162 VanDerWaalsContact O-N 3.08Å; T1159-N1162 VanDerWaalsContact O-O 3.11Å; T1159-N1162 WeakPolarHBondContact OG1-CB 3.36Å; T1159-N1162 PolarHBondContact OG1-N 2.88Å; T1159-P1163 WeakPolarHBondContact O-CA 3.41Å; T1159-P1163 VanDerWaalsContact O-N 3.14Å
1160	P	93.1	Very high	92.2	Very high	30 Å²	30	48.5 Å²	48.5	20%	0.195	24%	0.24	C	C	.	.	S	Bend	trans	-60.4	-36.3	176.6	-24.7	36.6	0	0	0	113.2	V422 M757 R827 R829 V830	V422-P1160 HydrophobicContact CG1-CB 4.31Å; M757-P1160 HydrophobicContact CG-CG 4.36Å; M757-P1160 HydrophobicContact SD-CG 4.31Å; R827-P1160 VanDerWaalsContact O-CD 3.3Å; R827-P1160 WeakPolarHBondContact O-CD 3.43Å; R827-P1160 WeakPolarHBondContact O-CG 3.29Å; R829-P1160 WeakPolarHBondContact O-CD 3.31Å; V830-P1160 HydrophobicContact CG2-CB 3.93Å; V830-P1160 HydrophobicContact CG2-CG 4.24Å
1161	S	92.6	Very high	92.1	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.014	27%	0.267	C	S	.	.	S	Bend	trans	-77.1	-22.2	174.2	41.2	0	0	0	0	112.9	G831 E833 T1159 R1169	G831-S1161 PolarHBondContact N-OG 3.39Å; E833-S1161 VanDerWaalsContact CD-OG 3.24Å; E833-S1161 WeakPolarHBondContact OE1-CB 3.43Å; E833-S1161 PolarHBondContact OE1-OG 3.08Å; E833-S1161 PolarHBondContact OE2-OG 2.93Å; E833-S1161 VanDerWaalsContact OE2-OG 3.11Å; T1159-S1161 VanDerWaalsContact C-N 3.27Å; T1159-S1161 PolarHBondContact O-N 3.1Å; T1159-S1161 PolarHBondContact OG1-OG 3.11Å; S1161-R1169 PolarHBondContact O-NH1 3.24Å
1162	N	93.2	Very high	92.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.252	C	S	.	.			trans	-126	70.3	175.3	-172	28	0	0	0	113	E833 C1157 V1158 T1159 T1164 G1165 R1169	E833-N1162 HydrophobicContact CG-CB 4.21Å; C1157-N1162 PolarHBondContact O-ND2 3.49Å; V1158-N1162 WeakPolarHBondContact CA-O 3.48Å; T1159-N1162 PolarHBondContact N-O 2.84Å; T1159-N1162 VanDerWaalsContact N-O 3.08Å; T1159-N1162 CarbonylContact O-C 3.43Å; T1159-N1162 PolarHBondContact O-N 3.19Å; T1159-N1162 VanDerWaalsContact O-N 3.08Å; T1159-N1162 VanDerWaalsContact O-O 3.11Å; T1159-N1162 WeakPolarHBondContact OG1-CB 3.36Å; T1159-N1162 PolarHBondContact OG1-N 2.88Å; N1162-T1164 VanDerWaalsContact C-N 3.31Å; N1162-T1164 PolarHBondContact O-N 3.2Å; N1162-G1165 WeakPolarHBondContact ND2-CA 3.39Å; N1162-G1165 PolarHBondContact O-N 3.25Å; N1162-G1165 PolarHBondContact OD1-O 3.41Å; N1162-R1169 WeakPolarHBondContact OD1-CD 3.3Å
1163	P	92.1	Very high	92.5	Very high	83 Å²	83	46.3 Å²	46.3	54%	0.539	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-24.1	-169.6	27.9	-35.7	0	0	0	113.8	T1159	T1159-P1163 WeakPolarHBondContact O-CA 3.41Å; T1159-P1163 VanDerWaalsContact O-N 3.14Å
1164	T	92.4	Very high	92.7	Very high	56 Å²	56	49 Å²	49	34%	0.344	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	0.3	-179.4	47.3	0	0	0	0	113.7	N1162 R1168 R1169	N1162-T1164 VanDerWaalsContact C-N 3.31Å; N1162-T1164 PolarHBondContact O-N 3.2Å; T1164-R1168 WeakPolarHBondContact O-CB 3.36Å; T1164-R1169 WeakPolarHBondContact OG1-CB 3.39Å
1165	G	92.5	Very high	92.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	73	179.4	175.6	0	0	0	0	0	115.1	D1156 N1162 R1169	D1156-G1165 CarbonylContact O-C 3.36Å; D1156-G1165 VanDerWaalsContact O-CA 3.29Å; D1156-G1165 WeakPolarHBondContact O-CA 3.43Å; D1156-G1165 WeakPolarHBondContact OD2-CA 3.13Å; N1162-G1165 WeakPolarHBondContact ND2-CA 3.39Å; N1162-G1165 PolarHBondContact O-N 3.25Å; N1162-G1165 PolarHBondContact OD1-O 3.41Å; G1165-R1169 WeakPolarHBondContact O-CB 3.45Å; G1165-R1169 PolarHBondContact O-N 3.08Å
1166	M	93.4	Very high	92.9	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-39.4	-176.7	-65.7	-55.5	-63	0	0	112.7	A836 M837 D1156 C1157 Y1170 G1171 I1172	A836-M1166 HydrophobicContact CB-CE 4.07Å; A836-M1166 HydrophobicContact CB-CG 4.28Å; A836-M1166 HydrophobicContact CB-SD 3.83Å; M837-M1166 HydrophobicContact CE-CE 3.92Å; M837-M1166 HydrophobicContact CE-SD 3.66Å; D1156-M1166 WeakPolarHBondContact O-CG 3.37Å; D1156-M1166 PolarHBondContact O-N 3.34Å; D1156-M1166 PolarHBondContact OD1-N 3.33Å; C1157-M1166 HydrophobicContact CB-CG 3.9Å; M1166-Y1170 HydrophobicContact CE-CD2 3.85Å; M1166-Y1170 HydrophobicContact CE-CG 4.09Å; M1166-Y1170 CarbonylContact O-C 3.55Å; M1166-Y1170 WeakPolarHBondContact O-CA 3.39Å; M1166-Y1170 WeakPolarHBondContact O-CB 3.44Å; M1166-Y1170 PolarHBondContact O-N 2.62Å; M1166-Y1170 VanDerWaalsContact O-N 3.11Å; M1166-Y1170 HydrophobicContact SD-CD2 3.63Å; M1166-Y1170 HydrophobicContact SD-CE2 3.97Å; M1166-Y1170 HydrophobicContact SD-CG 4.46Å; M1166-G1171 PolarHBondContact O-N 3.03Å; M1166-G1171 VanDerWaalsContact O-N 3.14Å; M1166-I1172 CarbonylContact C-O 3.52Å; M1166-I1172 HydrophobicContact CB-CB 4.48Å; M1166-I1172 HydrophobicContact CE-CD1 3.84Å; M1166-I1172 PolarHBondContact O-N 3.46Å; M1166-I1172 VanDerWaalsContact O-N 3.15Å
1167	E	92.9	Very high	93.1	Very high	113 Å²	113	46.1 Å²	46.1	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-66.7	-51.6	-175.9	-173.9	177	-170.5	0	0	111.5	D1156 G1171 I1172	D1156-E1167 PolarHBondContact OD1-N 3.36Å; E1167-G1171 WeakPolarHBondContact O-CA 3.41Å; E1167-G1171 PolarHBondContact O-N 3.19Å; E1167-G1171 VanDerWaalsContact O-N 3.13Å; E1167-I1172 VanDerWaalsContact CA-O 3.25Å; E1167-I1172 WeakPolarHBondContact CA-O 3.42Å; E1167-I1172 PolarHBondContact N-O 3.43Å
1168	R	93.4	Very high	93.2	Very high	208 Å²	208	46.6 Å²	46.6	79%	0.785	26%	0.264	S	S	*	.	H	α-helix	trans	-80.7	-37.1	-175.8	-172	-178.5	-68.6	168.3	0.2	113.2	T1164	T1164-R1168 WeakPolarHBondContact O-CB 3.36Å
1169	R	90.9	Very high	93.1	Very high	52 Å²	52	47.2 Å²	47.2	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-82.9	-42.1	-175.3	-166.1	175.8	-173.2	151.7	5	113.2	D418 S1161 N1162 T1164 G1165	D418-R1169 IonicContact OD1-NH2 3.4Å; D418-R1169 PolarHBondContact OD1-NH2 2.87Å; D418-R1169 IonicContact OD2-CZ 2.69Å; D418-R1169 VanDerWaalsContact OD2-CZ 3.3Å; D418-R1169 IonicContact OD2-NE 3.26Å; D418-R1169 IonicContact OD2-NH2 3.33Å; D418-R1169 PolarHBondContact OD2-NH2 3.21Å; S1161-R1169 PolarHBondContact O-NH1 3.24Å; N1162-R1169 WeakPolarHBondContact OD1-CD 3.3Å; T1164-R1169 WeakPolarHBondContact OG1-CB 3.39Å; G1165-R1169 WeakPolarHBondContact O-CB 3.45Å; G1165-R1169 PolarHBondContact O-N 3.08Å
1170	Y	90.1	Very high	93.1	Very high	28 Å²	28	47.6 Å²	47.6	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-109.8	-7	-172.9	-60.9	-81.7	0	0	0	112.8	N411 M837 M1166 I1172	N411-Y1170 HydrophobicContact CB-CD1 3.93Å; N411-Y1170 HydrophobicContact CB-CE1 3.76Å; M837-Y1170 HydrophobicContact CE-CE2 3.93Å; M837-Y1170 HydrophobicContact SD-CE1 4.36Å; M1166-Y1170 HydrophobicContact CE-CD2 3.85Å; M1166-Y1170 HydrophobicContact CE-CG 4.09Å; M1166-Y1170 CarbonylContact O-C 3.55Å; M1166-Y1170 WeakPolarHBondContact O-CA 3.39Å; M1166-Y1170 WeakPolarHBondContact O-CB 3.44Å; M1166-Y1170 PolarHBondContact O-N 2.62Å; M1166-Y1170 VanDerWaalsContact O-N 3.11Å; M1166-Y1170 HydrophobicContact SD-CD2 3.63Å; M1166-Y1170 HydrophobicContact SD-CE2 3.97Å; M1166-Y1170 HydrophobicContact SD-CG 4.46Å; Y1170-I1172 VanDerWaalsContact C-N 3.29Å; Y1170-I1172 PolarHBondContact O-N 3.21Å
1171	G	90.7	Very high	93.1	Very high	58 Å²	58	49.7 Å²	49.7	60%	0.598	28%	0.277	S	S	*	.			trans	73.7	18.8	-180	0	0	0	0	0	113.8	M1166 E1167 P1173	M1166-G1171 PolarHBondContact O-N 3.03Å; M1166-G1171 VanDerWaalsContact O-N 3.14Å; E1167-G1171 WeakPolarHBondContact O-CA 3.41Å; E1167-G1171 PolarHBondContact O-N 3.19Å; E1167-G1171 VanDerWaalsContact O-N 3.13Å; G1171-P1173 WeakPolarHBondContact O-CD 3.44Å
1172	I	92.3	Very high	93.2	Very high	12 Å²	12	53.6 Å²	53.6	6%	0.062	30%	0.295	C	S	.	.			trans	-100.8	108.9	-176.4	-56.4	-175.7	0	0	0	109.4	Q839 Q1147 C1148 M1166 E1167 Y1170	Q839-I1172 HydrophobicContact CG-CD1 3.95Å; Q1147-I1172 HydrophobicContact CB-CG2 4.13Å; C1148-I1172 HydrophobicContact CB-CD1 4.34Å; M1166-I1172 CarbonylContact C-O 3.52Å; M1166-I1172 HydrophobicContact CB-CB 4.48Å; M1166-I1172 HydrophobicContact CE-CD1 3.84Å; M1166-I1172 PolarHBondContact O-N 3.46Å; M1166-I1172 VanDerWaalsContact O-N 3.15Å; E1167-I1172 VanDerWaalsContact CA-O 3.25Å; E1167-I1172 WeakPolarHBondContact CA-O 3.42Å; E1167-I1172 PolarHBondContact N-O 3.43Å; Y1170-I1172 VanDerWaalsContact C-N 3.29Å; Y1170-I1172 PolarHBondContact O-N 3.21Å
1173	P	93.7	Very high	93.2	Very high	63 Å²	63	53.6 Å²	53.6	41%	0.409	30%	0.295	S	S	.	.			trans	-71.1	167.7	-179.7	30.9	-35.5	0	0	0	112.1	R1150 G1171	R1150-P1173 PolarHBondContact NH2-O 2.79Å; G1171-P1173 WeakPolarHBondContact O-CD 3.44Å
1174	P	94.5	Very high	93.2	Very high	64 Å²	64	51 Å²	51	42%	0.416	28%	0.276	S	S	.	.			trans	-51.8	139.1	165.4	-27.7	37.1	0	0	0	112.7	R1150 V1153	R1150-P1174 VanDerWaalsContact NH2-CA 3.31Å; V1153-P1174 WeakPolarHBondContact O-CA 3.13Å
1175	G	94	Very high	93.2	Very high	21 Å²	21	52.4 Å²	52.4	22%	0.216	29%	0.289	C	S	.	.			trans	-82	-174	176.4	0	0	0	0	0	113	I1145 V1153	I1145-G1175 WeakPolarHBondContact O-CA 3.44Å; V1153-G1175 WeakPolarHBondContact CG2-O 3.26Å; V1153-G1175 PolarHBondContact O-N 3.11Å
1176	E	95.3	Very high	93.3	Very high	79 Å²	79	56.2 Å²	56.2	37%	0.369	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	129	-179.9	-62.8	172.2	-157.6	0	0	109.9	Y1107 D1144 I1145 L1178	Y1107-E1176 WeakPolarHBondContact CE1-OE2 3.45Å; Y1107-E1176 PolarHBondContact OH-OE1 3.17Å; Y1107-E1176 PolarHBondContact OH-OE2 2.78Å; D1144-E1176 CarbonylContact C-O 3.6Å; I1145-E1176 HydrophobicContact CB-CB 4.42Å; I1145-E1176 PolarHBondContact N-O 3.33Å; I1145-E1176 PolarHBondContact O-N 3.33Å; E1176-L1178 HydrophobicContact CB-CD2 4.41Å; E1176-L1178 HydrophobicContact CB-CG 4.33Å
1177	A	96	Very high	93.2	Very high	48 Å²	48	57.1 Å²	57.1	40%	0.397	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	109.5	169.3	0	0	0	0	0	107.7	A1142 V1153	A1142-A1177 HydrophobicContact CB-CB 4.06Å; V1153-A1177 HydrophobicContact CG2-CB 3.67Å
1178	L	95.8	Very high	93	Very high	18 Å²	18	60.7 Å²	60.7	9%	0.094	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128.3	-171	-58.8	178	0	0	0	111.9	Y1107 A1142 V1143 I1145 E1176 Q1182 I1183 I1186	Y1107-L1178 HydrophobicContact CD1-CD1 3.69Å; Y1107-L1178 HydrophobicContact CE1-CD1 3.64Å; A1142-L1178 CarbonylContact C-O 3.54Å; A1142-L1178 WeakPolarHBondContact CA-O 3.19Å; V1143-L1178 PolarHBondContact N-O 3.34Å; V1143-L1178 PolarHBondContact O-N 2.78Å; I1145-L1178 HydrophobicContact CD1-CD1 3.96Å; E1176-L1178 HydrophobicContact CB-CD2 4.41Å; E1176-L1178 HydrophobicContact CB-CG 4.33Å; L1178-Q1182 HydrophobicContact CB-CB 4.46Å; L1178-Q1182 HydrophobicContact CD2-CB 4.34Å; L1178-I1183 HydrophobicContact CB-CD1 4.14Å; L1178-I1183 HydrophobicContact CB-CG1 3.67Å; L1178-I1183 HydrophobicContact CD1-CG1 4.27Å; L1178-I1186 HydrophobicContact CD1-CD1 3.99Å
1179	D	93.9	Very high	92.6	Very high	54 Å²	54	51.8 Å²	51.8	29%	0.289	30%	0.3	S	S	.	.			trans	-76	171.9	170.3	73.4	35.2	0	0	0	111.7	N1181 Q1182 I1183	D1179-N1181 VanDerWaalsContact C-N 3.32Å; D1179-N1181 PolarHBondContact O-N 3.5Å; D1179-N1181 WeakPolarHBondContact OD1-CA 3.37Å; D1179-N1181 WeakPolarHBondContact OD1-CB 3.44Å; D1179-N1181 PolarHBondContact OD1-N 2.82Å; D1179-Q1182 PolarHBondContact O-N 3.43Å; D1179-Q1182 WeakPolarHBondContact OD1-CB 3.28Å; D1179-Q1182 VanDerWaalsContact OD1-CG 3.31Å; D1179-Q1182 WeakPolarHBondContact OD1-CG 3.43Å; D1179-Q1182 PolarHBondContact OD1-N 2.85Å; D1179-I1183 VanDerWaalsContact O-CG1 3.25Å; D1179-I1183 WeakPolarHBondContact O-CG1 3.42Å; D1179-I1183 PolarHBondContact O-N 3.35Å
1180	M	93.2	Very high	92.4	Very high	11 Å²	11	51.8 Å²	51.8	5%	0.054	31%	0.308	C	S	.	.	H	α-helix	trans	-59.6	-39.9	-179.1	-174.1	58.9	-174.2	0	0	113.1	V94 L96 L1111 Q1114 F1139 I1183 L1184	V94-M1180 HydrophobicContact CG1-CE 4.17Å; V94-M1180 HydrophobicContact CG2-CG 4.41Å; L96-M1180 HydrophobicContact CD2-CE 3.76Å; L1111-M1180 HydrophobicContact CD1-CE 3.76Å; L1111-M1180 HydrophobicContact CD1-SD 4.31Å; Q1114-M1180 HydrophobicContact CB-SD 3.68Å; Q1114-M1180 HydrophobicContact CG-SD 3.73Å; F1139-M1180 HydrophobicContact CB-CB 4.33Å; F1139-M1180 HydrophobicContact CD1-CE 4.21Å; F1139-M1180 HydrophobicContact CD1-CG 3.92Å; F1139-M1180 HydrophobicContact CD1-SD 3.79Å; F1139-M1180 HydrophobicContact CD2-CG 4.25Å; F1139-M1180 HydrophobicContact CE1-CE 3.73Å; F1139-M1180 HydrophobicContact CE1-CG 4.13Å; F1139-M1180 HydrophobicContact CE1-SD 3.95Å; F1139-M1180 HydrophobicContact CE2-CG 4.45Å; F1139-M1180 HydrophobicContact CG-CB 4.21Å; F1139-M1180 HydrophobicContact CG-CG 3.98Å; F1139-M1180 HydrophobicContact CG-SD 4.41Å; F1139-M1180 HydrophobicContact CZ-CE 4.25Å; F1139-M1180 HydrophobicContact CZ-CG 4.39Å; M1180-I1183 PolarHBondContact O-N 3.45Å; M1180-L1184 HydrophobicContact CE-CD1 3.95Å; M1180-L1184 HydrophobicContact CE-CD2 3.86Å; M1180-L1184 HydrophobicContact CE-CG 3.87Å; M1180-L1184 HydrophobicContact CG-CD1 4.21Å; M1180-L1184 WeakPolarHBondContact O-CB 3.16Å; M1180-L1184 VanDerWaalsContact O-CG 3.24Å; M1180-L1184 WeakPolarHBondContact O-CG 3.36Å; M1180-L1184 PolarHBondContact O-N 2.85Å
1181	N	92.1	Very high	92.4	Very high	73 Å²	73	50.9 Å²	50.9	39%	0.39	31%	0.305	S	S	.	.	H	α-helix	trans	-70.7	-40.3	-176.6	-65.4	-41.8	0	0	0	111.4	D1179 L1184 S1185	D1179-N1181 VanDerWaalsContact C-N 3.32Å; D1179-N1181 PolarHBondContact O-N 3.5Å; D1179-N1181 WeakPolarHBondContact OD1-CA 3.37Å; D1179-N1181 WeakPolarHBondContact OD1-CB 3.44Å; D1179-N1181 PolarHBondContact OD1-N 2.82Å; N1181-L1184 PolarHBondContact O-N 3.22Å; N1181-S1185 PolarHBondContact O-N 3Å
1182	Q	94.2	Very high	92.2	Very high	84 Å²	84	51.3 Å²	51.3	39%	0.393	30%	0.299	S	S	.	.	H	α-helix	trans	-61.8	-47	174.1	-69.5	171.1	-13.2	0	0	110.4	L1178 D1179 L1184 S1185 I1186	L1178-Q1182 HydrophobicContact CB-CB 4.46Å; L1178-Q1182 HydrophobicContact CD2-CB 4.34Å; D1179-Q1182 PolarHBondContact O-N 3.43Å; D1179-Q1182 WeakPolarHBondContact OD1-CB 3.28Å; D1179-Q1182 VanDerWaalsContact OD1-CG 3.31Å; D1179-Q1182 WeakPolarHBondContact OD1-CG 3.43Å; D1179-Q1182 PolarHBondContact OD1-N 2.85Å; Q1182-L1184 VanDerWaalsContact C-N 3.34Å; Q1182-L1184 PolarHBondContact O-N 2.93Å; Q1182-S1185 PolarHBondContact O-N 2.87Å; Q1182-S1185 PolarHBondContact O-OG 3.28Å; Q1182-I1186 WeakPolarHBondContact O-CG1 3.29Å; Q1182-I1186 PolarHBondContact O-N 3.38Å; Q1182-I1186 VanDerWaalsContact O-N 3.13Å
1183	I	94.2	Very high	91.6	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-59.9	-44.5	176.7	-67.4	167.1	0	0	0	110.9	A1110 L1111 Q1114 V1143 L1178 D1179 M1180 S1185 I1186 T1187	A1110-I1183 HydrophobicContact CB-CD1 3.96Å; A1110-I1183 HydrophobicContact CB-CG1 4.38Å; L1111-I1183 HydrophobicContact CB-CG2 3.59Å; L1111-I1183 HydrophobicContact CD1-CG2 4Å; L1111-I1183 HydrophobicContact CG-CG2 4.33Å; Q1114-I1183 HydrophobicContact CG-CD1 3.96Å; V1143-I1183 HydrophobicContact CB-CD1 4.19Å; V1143-I1183 HydrophobicContact CG2-CD1 4.17Å; L1178-I1183 HydrophobicContact CB-CD1 4.14Å; L1178-I1183 HydrophobicContact CB-CG1 3.67Å; L1178-I1183 HydrophobicContact CD1-CG1 4.27Å; D1179-I1183 VanDerWaalsContact O-CG1 3.25Å; D1179-I1183 WeakPolarHBondContact O-CG1 3.42Å; D1179-I1183 PolarHBondContact O-N 3.35Å; M1180-I1183 PolarHBondContact O-N 3.45Å; I1183-S1185 VanDerWaalsContact C-N 3.32Å; I1183-S1185 PolarHBondContact O-N 3.4Å; I1183-I1186 PolarHBondContact O-N 2.83Å; I1183-T1187 HydrophobicContact CG2-CG2 4.14Å; I1183-T1187 WeakPolarHBondContact O-CB 3.43Å; I1183-T1187 WeakPolarHBondContact O-CG2 3.26Å; I1183-T1187 PolarHBondContact O-N 3.21Å; I1183-T1187 PolarHBondContact O-OG1 2.96Å
1184	L	92.5	Very high	90	Very high	28 Å²	28	55.7 Å²	55.7	15%	0.147	33%	0.333	C	S	.	.	H	α-helix	trans	-61.6	-40.3	177	-73.5	172.9	0	0	0	112.2	V94 L96 L1111 M1180 N1181 Q1182 I1186 K1188 G1189	V94-L1184 HydrophobicContact CG1-CD1 3.78Å; L96-L1184 HydrophobicContact CD1-CD2 3.86Å; L1111-L1184 HydrophobicContact CD1-CD2 4.2Å; M1180-L1184 HydrophobicContact CE-CD1 3.95Å; M1180-L1184 HydrophobicContact CE-CD2 3.86Å; M1180-L1184 HydrophobicContact CE-CG 3.87Å; M1180-L1184 HydrophobicContact CG-CD1 4.21Å; M1180-L1184 WeakPolarHBondContact O-CB 3.16Å; M1180-L1184 VanDerWaalsContact O-CG 3.24Å; M1180-L1184 WeakPolarHBondContact O-CG 3.36Å; M1180-L1184 PolarHBondContact O-N 2.85Å; N1181-L1184 PolarHBondContact O-N 3.22Å; Q1182-L1184 VanDerWaalsContact C-N 3.34Å; Q1182-L1184 PolarHBondContact O-N 2.93Å; L1184-I1186 VanDerWaalsContact C-N 3.3Å; L1184-I1186 PolarHBondContact O-N 3.09Å; L1184-K1188 WeakPolarHBondContact O-CA 3.12Å; L1184-K1188 PolarHBondContact O-N 3.1Å; L1184-G1189 PolarHBondContact O-N 2.93Å
1185	S	92.6	Very high	87.2	Confident	87 Å²	87	68.2 Å²	68.2	61%	0.608	37%	0.372	S	S	*	.	H	α-helix	trans	-62.5	-38.2	178.3	79.1	0	0	0	0	112.3	N1181 Q1182 I1183	N1181-S1185 PolarHBondContact O-N 3Å; Q1182-S1185 PolarHBondContact O-N 2.87Å; Q1182-S1185 PolarHBondContact O-OG 3.28Å; I1183-S1185 VanDerWaalsContact C-N 3.32Å; I1183-S1185 PolarHBondContact O-N 3.4Å
1186	I	93	Very high	86.8	Confident	79 Å²	79	70.6 Å²	70.6	41%	0.405	38%	0.38	S	S	.	.	H	α-helix	trans	-76.8	-46.6	-179.3	-64	165.5	0	0	0	111.1	Y1107 L1178 Q1182 I1183 L1184	Y1107-I1186 HydrophobicContact CD1-CD1 4.22Å; Y1107-I1186 HydrophobicContact CD1-CG2 4.22Å; Y1107-I1186 HydrophobicContact CD2-CG2 3.88Å; Y1107-I1186 HydrophobicContact CE1-CD1 4.23Å; Y1107-I1186 HydrophobicContact CE2-CG2 4.39Å; Y1107-I1186 HydrophobicContact CG-CG2 3.78Å; L1178-I1186 HydrophobicContact CD1-CD1 3.99Å; Q1182-I1186 WeakPolarHBondContact O-CG1 3.29Å; Q1182-I1186 PolarHBondContact O-N 3.38Å; Q1182-I1186 VanDerWaalsContact O-N 3.13Å; I1183-I1186 PolarHBondContact O-N 2.83Å; L1184-I1186 VanDerWaalsContact C-N 3.3Å; L1184-I1186 PolarHBondContact O-N 3.09Å
1187	T	91.8	Very high	86.4	Confident	19 Å²	19	70.1 Å²	70.1	12%	0.117	38%	0.38	C	S	.	.	H	α-helix	trans	-85.1	-12	-174.5	59.3	0	0	0	0	113.6	L1111 I1183 G1189 S1190	L1111-T1187 HydrophobicContact CB-CG2 4.34Å; L1111-T1187 HydrophobicContact CD2-CG2 4.37Å; I1183-T1187 HydrophobicContact CG2-CG2 4.14Å; I1183-T1187 WeakPolarHBondContact O-CB 3.43Å; I1183-T1187 WeakPolarHBondContact O-CG2 3.26Å; I1183-T1187 PolarHBondContact O-N 3.21Å; I1183-T1187 PolarHBondContact O-OG1 2.96Å; T1187-G1189 PolarHBondContact O-N 2.9Å; T1187-G1189 PolarHBondContact OG1-N 3.47Å; T1187-S1190 PolarHBondContact O-N 3.36Å
1188	K	88.9	Confident	85.9	Confident	189 Å²	189	71.3 Å²	71.3	82%	0.822	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	32.5	-169.9	-55.2	179.4	179.9	179	0	112.4	L1184 S1190	L1184-K1188 WeakPolarHBondContact O-CA 3.12Å; L1184-K1188 PolarHBondContact O-N 3.1Å; K1188-S1190 PolarHBondContact O-N 3.38Å
1189	G	84.7	Confident	85.3	Confident	21 Å²	21	74.5 Å²	74.5	22%	0.216	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.7	18.2	-179.7	0	0	0	0	0	115.1	L96 L1184 T1187	L96-G1189 WeakPolarHBondContact CD1-O 3.46Å; L1184-G1189 PolarHBondContact O-N 2.93Å; T1187-G1189 PolarHBondContact O-N 2.9Å; T1187-G1189 PolarHBondContact OG1-N 3.47Å
1190	S	87.3	Confident	84.7	Confident	52 Å²	52	75.8 Å²	75.8	36%	0.364	40%	0.403	S	S	.	.			trans	-118	132.7	-179.7	-175.5	0	0	0	0	112.2	T1187 K1188 S1192	T1187-S1190 PolarHBondContact O-N 3.36Å; K1188-S1190 PolarHBondContact O-N 3.38Å; S1190-S1192 PolarHBondContact OG-N 2.77Å; S1190-S1192 VanDerWaalsContact OG-N 3.16Å
1191	L	89.2	Confident	84.2	Confident	9 Å²	9	80.1 Å²	80.1	5%	0.047	43%	0.426	C	S	.	.			trans	-84.6	-11	169.2	-71	176.1	0	0	0	112.7	P99 L1079 Y1083 I1085 R1108 L1111 A1112 I1115	P99-L1191 HydrophobicContact CG-CD1 4.01Å; L1079-L1191 HydrophobicContact CD2-CD1 3.97Å; Y1083-L1191 HydrophobicContact CD1-CB 3.65Å; Y1083-L1191 HydrophobicContact CD2-CB 3.93Å; Y1083-L1191 HydrophobicContact CD2-CD1 3.87Å; Y1083-L1191 HydrophobicContact CE1-CB 3.86Å; Y1083-L1191 HydrophobicContact CE2-CB 4.13Å; Y1083-L1191 HydrophobicContact CE2-CD1 3.78Å; Y1083-L1191 HydrophobicContact CG-CB 3.68Å; Y1083-L1191 HydrophobicContact CG-CD1 4.46Å; I1085-L1191 HydrophobicContact CD1-CD2 4.45Å; R1108-L1191 PolarHBondContact NE-O 2.86Å; R1108-L1191 PolarHBondContact NH2-O 2.83Å; R1108-L1191 WeakPolarHBondContact O-CD2 3.41Å; L1111-L1191 HydrophobicContact CB-CD2 3.89Å; L1111-L1191 HydrophobicContact CD2-CD2 3.85Å; L1111-L1191 HydrophobicContact CD2-CG 4.13Å; L1111-L1191 HydrophobicContact CG-CD2 3.89Å; L1111-L1191 HydrophobicContact CG-CG 4.45Å; A1112-L1191 HydrophobicContact CB-CD2 4.04Å; I1115-L1191 HydrophobicContact CD1-CD1 3.83Å; I1115-L1191 HydrophobicContact CD1-CG 4.29Å
1192	S	86.6	Confident	83.6	Confident	67 Å²	67	80.6 Å²	80.6	47%	0.469	43%	0.429	S	S	.	.	S	Bend	trans	-70.4	147	-179.6	-58.7	0	0	0	0	111.6	S1190 G1194	S1190-S1192 PolarHBondContact OG-N 2.77Å; S1190-S1192 VanDerWaalsContact OG-N 3.16Å; S1192-G1194 PolarHBondContact O-N 2.93Å; S1192-G1194 VanDerWaalsContact O-N 3.16Å
1193	K	79.4	Confident	82.8	Confident	90 Å²	90	80.3 Å²	80.3	39%	0.391	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-58.3	122.1	167.8	-73.2	-171.2	174.6	-174.2	0	108	N1084 E1104 D1105 R1108 R1195	N1084-K1193 WeakPolarHBondContact O-CE 3.49Å; N1084-K1193 PolarHBondContact O-NZ 3.18Å; E1104-K1193 IonicContact OE1-NZ 2.81Å; D1105-K1193 IonicContact OD2-NZ 3.84Å; R1108-K1193 VanDerWaalsContact CZ-CG 3.49Å; K1193-R1195 PolarHBondContact O-N 2.96Å
1194	G	61.9	Low	81.8	Confident	77 Å²	77	87 Å²	87	79%	0.794	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-53.7	128.1	169.5	0	0	0	0	0	108.2	S1192	S1192-G1194 PolarHBondContact O-N 2.93Å; S1192-G1194 VanDerWaalsContact O-N 3.16Å
1195	R	34.3	Very low	80.9	Confident	326 Å²	326	92.4 Å²	92.4	100%	1.23	50%	0.497	S	S	*	.			trans	-65.7	0	174	-85.5	-172.8	-179.7	179.7	0.5	111.1	K1193	K1193-R1195 PolarHBondContact O-N 2.96Å

Retrieved 1,195 of 1,195 residues in 292 ms (Link to these results)

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