A0A096LYI9_POEFO Loading...

Guanylate cyclase

AlphaFold DB , UniProt , Accession A0A096LYI9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,059 aa.

						>A0A096LYI9_POEFO|A0A096LYI9
MQPRLCLLLILFLPLIQSDDCVFPNGNATDGRQTVTIAAILPKTNTEYPWSWLRVAPALYQAISQVNCDPWLLPGLKLHLVNGNSENTDGYCSDSMAPLVAVDLKLAHDPWAFIGPGCEFSSSPVARFTTHWDVPMVTAGARAIGFKFYAAVTNTGPTHAKLGEFSLKFQQEFDWMRHVMLVYTDNNKDSNSDRPYYFTVEGVYEMLRDQNITAYDYSLETDINYKLAVQKIRDNGRVVYVCCPRDILRNLMVQFWKDRVDLEDFVFLFIDLFAESLSGGQNDLQRPWYRGDEDDHAAKMAFRSVKVLTYMEPQNQEYFKFVEDLKRDAKESFNFTIEDSLYNLIAADFYDGVMLYAQALNETLSQQASGPGPIQRPKGDLVTRRMWNRSFSGVSGEVKMDKVGDRETDFAVWDMTDPESGEFQVVSVYYGSSKSLDKSNIRWPGGKIPVDMPECGFRNDHPTCLARTITMHQMVAIVICFVFIIIVTITVFIYRKLKLENELVAQLWRVSWDDIQMTNLEKSLRRTCSRLTMSLKGSNLGSLMTMEGNFQIYTKTGYYKGNLAAIKYINKKRIELTRKVLFELKHMRDVHNEHLTRFIGACLDPPNMCIITEYCPRGSLQDLMESDGITLDWMFRYSLITDIVKGMAFLHNSVIVSHGNLKSSNCVVDSRFVLKITDYGLQSLRTSSCPEDTHAFYARKLWTAPELLRMECPPCSGTQRGDVYSFGVILQEVALLKGVFYLDSHSLSPKEIIQAVIQDGVPPLRPSLCFHSHSEELGVLMQRCWSEEPNERPDFNTIKILLRKQHRGYGSNILDNLLSRMEQYANNLEELVEERTQAYNEEKRKAEALLYQILPHSVADQLKRGETVQAEAFDSVTIYFSDIVGFTALSAESTPLQVVTLLNDLYTCFDAIIDNFDVYKVETIGDAYMVVSGLPVRNGKRHGREVARMSLALLDAVKSFKIRHRPSQQLRLRIGIHSGTVCAGVVGLKMPRYCLFGDTVNTASRMESTGEALKIHVSEATRQVLQEFGSFQLQLRGEIEVKGKGRMRTYWLLGENEKN
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	31.8	Very low	253 Å²	253	158.3 Å²	158.3	100%	1.246	82%	0.816	S	S	*	*				0	136	0	-89.5	173.8	160.1	0	0	108.5
2	Q	31.4	Very low	31.3	Very low	138 Å²	138	160.9 Å²	160.9	65%	0.645	82%	0.818	S	S	*	*			trans	-80	176.8	-172	-108.9	172.9	6.9	0	0	112.9	R4	Q2-R4 HydrophobicContact CG-CG 4.21Å; Q2-R4 VanDerWaalsContact NE2-NE 3.13Å
3	P	53.6	Low	31.5	Very low	120 Å²	120	158.8 Å²	158.8	78%	0.779	81%	0.809	S	S	*	*			cis	-134.7	147.4	39.5	31.8	-9.4	0	0	0	115.5
4	R	34.5	Very low	31.5	Very low	194 Å²	194	154.7 Å²	154.7	73%	0.732	80%	0.798	S	S	*	*				61.2	109.7	66.7	-87.4	-168.6	178.3	-179.6	3.5	115.3	Q2	Q2-R4 HydrophobicContact CG-CG 4.21Å; Q2-R4 VanDerWaalsContact NE2-NE 3.13Å
5	L	29	Very low	31.6	Very low	162 Å²	162	154.3 Å²	154.3	85%	0.848	80%	0.797	S	S	*	*				-168.7	136.9	110.6	-129.5	77.6	0	0	0	114.9
6	C	23.9	Very low	31.4	Very low	112 Å²	112	154.4 Å²	154.4	76%	0.757	80%	0.797	S	S	*	*			trans	78	98.2	147.6	-76.3	0	0	0	0	122.7
7	L	32.7	Very low	31.2	Very low	163 Å²	163	154.7 Å²	154.7	85%	0.853	79%	0.794	S	S	*	*			trans	-55.6	144.5	138.9	-87.5	82.4	0	0	0	111.4
8	L	25.9	Very low	31.2	Very low	161 Å²	161	152.1 Å²	152.1	84%	0.843	79%	0.791	S	S	*	*				-167.4	132.9	125.9	-121.1	120.9	0	0	0	112.7
9	L	28.6	Very low	31	Very low	138 Å²	138	152.1 Å²	152.1	72%	0.723	79%	0.793	S	S	*	*			trans	-8.7	146.9	160.2	-75.6	104.6	0	0	0	119.9
10	I	26.1	Very low	31	Very low	145 Å²	145	152 Å²	152	74%	0.744	79%	0.793	S	S	*	*				-172	123.4	102.7	-87.3	152.9	0	0	0	110.4	F12	I10-F12 HydrophobicContact CG2-CD2 3.55Å; I10-F12 HydrophobicContact CG2-CE2 4.07Å
11	L	30.2	Very low	30.8	Very low	155 Å²	155	151.1 Å²	151.1	81%	0.812	80%	0.799	S	S	*	*			trans	-70.1	129.8	160.2	-91.4	134.2	0	0	0	109.5
12	F	26.3	Very low	30.7	Very low	190 Å²	190	144.7 Å²	144.7	83%	0.833	77%	0.773	S	S	*	*			trans	-147.6	115.3	149.7	-96.1	-75.4	0	0	0	110.5	I10	I10-F12 HydrophobicContact CG2-CD2 3.55Å; I10-F12 HydrophobicContact CG2-CE2 4.07Å
13	L	33.2	Very low	30.7	Very low	133 Å²	133	146.9 Å²	146.9	70%	0.696	78%	0.781	S	S	*	*			trans	-60.9	153.8	151.8	-91.5	145.8	0	0	0	109.6
14	P	32.2	Very low	29.9	Very low	102 Å²	102	147.2 Å²	147.2	66%	0.662	78%	0.783	S	S	*	*				-135.4	148.8	96.4	28.8	-11.3	0	0	0	110.7	I16	P14-I16 HydrophobicContact CB-CG1 4.38Å
15	L	33.4	Very low	29.6	Very low	149 Å²	149	146.2 Å²	146.2	78%	0.78	79%	0.792	S	S	*	*			cis	48.6	70.5	43.7	-98	165.8	0	0	0	113.3
16	I	28	Very low	29.8	Very low	155 Å²	155	141.8 Å²	141.8	80%	0.795	79%	0.786	S	S	*	*			trans	-132.1	128.1	150	-62	-176	0	0	0	108.6	P14	P14-I16 HydrophobicContact CB-CG1 4.38Å
17	Q	27.1	Very low	30.4	Very low	160 Å²	160	144.8 Å²	144.8	75%	0.748	79%	0.794	S	S	*	*			trans	-63.6	152.3	-174.9	-71.7	158.9	-82.2	0	0	112.6	D19	Q17-D19 PolarHBondContact O-N 3.47Å
18	S	32.3	Very low	30.5	Very low	107 Å²	107	141.5 Å²	141.5	75%	0.748	79%	0.79	S	S	*	*			trans	-43.7	115.1	149.7	48.7	0	0	0	0	111.3
19	D	26	Very low	31.3	Very low	153 Å²	153	141 Å²	141	82%	0.818	80%	0.795	S	S	*	*			trans	-118.4	113.7	155.5	-88.5	-23.7	0	0	0	107.5	Q17 C21	Q17-D19 PolarHBondContact O-N 3.47Å; D19-C21 PolarHBondContact O-N 2.86Å
20	D	32.1	Very low	32.6	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	78%	0.778	S	S	*	*			trans	-57.3	117.5	173.7	-68.3	-43.9	0	0	0	110	V22	D20-V22 VanDerWaalsContact C-N 3.31Å; D20-V22 PolarHBondContact O-N 3.06Å
21	C	27.6	Very low	34.4	Very low	134 Å²	134	135 Å²	135	91%	0.905	79%	0.785	S	S	*	*			trans	-79.3	84	168	-88.3	0	0	0	0	109.8	D19	D19-C21 PolarHBondContact O-N 2.86Å
22	V	31.5	Very low	36.7	Very low	118 Å²	118	131.5 Å²	131.5	72%	0.715	76%	0.761	S	S	*	*			trans	-63.5	136.3	164.6	176	0	0	0	0	109.7	D20 P24	D20-V22 VanDerWaalsContact C-N 3.31Å; D20-V22 PolarHBondContact O-N 3.06Å; V22-P24 VanDerWaalsContact O-CD 3.29Å; V22-P24 WeakPolarHBondContact O-CD 3.41Å
23	F	31.4	Very low	39.6	Very low	184 Å²	184	125.4 Å²	125.4	81%	0.807	74%	0.735	S	S	*	*			trans	-42.9	116.8	169.8	-78.4	-89.5	0	0	0	112.4
24	P	35.1	Very low	42.3	Very low	127 Å²	127	123 Å²	123	83%	0.825	73%	0.726	S	S	*	*			trans	-93.4	111.3	168.8	17.2	-0.5	0	0	0	109.9	V22	V22-P24 VanDerWaalsContact O-CD 3.29Å; V22-P24 WeakPolarHBondContact O-CD 3.41Å
25	N	30.1	Very low	45.2	Very low	172 Å²	172	118.1 Å²	118.1	92%	0.92	69%	0.694	S	S	*	*			trans	-65.4	126.9	156.3	-92.2	-28.7	0	0	0	109.7
26	G	32.5	Very low	48.2	Very low	69 Å²	69	112.3 Å²	112.3	71%	0.711	67%	0.665	S	S	*	*	S	Bend	trans	99.1	109.3	148.4	0	0	0	0	0	118.5
27	N	36.5	Very low	51.4	Low	175 Å²	175	105 Å²	105	94%	0.936	63%	0.627	S	S	*	*			trans	55.3	78.9	141.3	-66.1	-8.2	0	0	0	119.6
28	A	34.6	Very low	54.8	Low	94 Å²	94	97.3 Å²	97.3	78%	0.777	59%	0.591	S	S	*	*			trans	-124.4	127.2	140	0	0	0	0	0	107.7	D30	A28-D30 PolarHBondContact O-N 2.91Å
29	T	42.1	Very low	57.9	Low	152 Å²	152	92.2 Å²	92.2	93%	0.933	56%	0.556	S	S	*	*			trans	-69.7	84.5	176.2	46.7	0	0	0	0	109.2	G31	T29-G31 PolarHBondContact O-N 3.12Å
30	D	57	Low	61.3	Low	71 Å²	71	85 Å²	85	38%	0.38	52%	0.517	S	S	.	.			trans	-59.9	109.8	169.3	-166.8	0.9	0	0	0	107.6	A28 R32	A28-D30 PolarHBondContact O-N 2.91Å; D30-R32 VanDerWaalsContact CG-NE 3.29Å; D30-R32 PolarHBondContact O-N 2.57Å; D30-R32 WeakPolarHBondContact OD1-CG 3.41Å; D30-R32 IonicContact OD1-CZ 3.72Å; D30-R32 IonicContact OD1-NE 3.56Å; D30-R32 PolarHBondContact OD1-NE 2.69Å; D30-R32 IonicContact OD1-NH2 3.9Å; D30-R32 IonicContact OD2-CZ 3.24Å; D30-R32 VanDerWaalsContact OD2-CZ 3.24Å; D30-R32 IonicContact OD2-NE 3.12Å; D30-R32 PolarHBondContact OD2-NE 2.87Å; D30-R32 IonicContact OD2-NH2 2.68Å; D30-R32 PolarHBondContact OD2-NH2 2.86Å
31	G	62.9	Low	64.4	Low	85 Å²	85	77.8 Å²	77.8	88%	0.876	48%	0.479	S	S	*	.			trans	-68.2	14.1	-175.3	0	0	0	0	0	114.9	T29	T29-G31 PolarHBondContact O-N 3.12Å
32	R	78.6	Confident	67.5	Low	82 Å²	82	71.5 Å²	71.5	31%	0.309	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-84.7	136.5	-179.7	-67.6	-172.2	-76.7	176.4	-4.8	111.2	D30 N67 G75 K77	D30-R32 VanDerWaalsContact CG-NE 3.29Å; D30-R32 PolarHBondContact O-N 2.57Å; D30-R32 WeakPolarHBondContact OD1-CG 3.41Å; D30-R32 IonicContact OD1-CZ 3.72Å; D30-R32 IonicContact OD1-NE 3.56Å; D30-R32 PolarHBondContact OD1-NE 2.69Å; D30-R32 IonicContact OD1-NH2 3.9Å; D30-R32 IonicContact OD2-CZ 3.24Å; D30-R32 VanDerWaalsContact OD2-CZ 3.24Å; D30-R32 IonicContact OD2-NE 3.12Å; D30-R32 PolarHBondContact OD2-NE 2.87Å; D30-R32 IonicContact OD2-NH2 2.68Å; D30-R32 PolarHBondContact OD2-NH2 2.86Å; R32-N67 PolarHBondContact NH1-O 2.99Å; R32-G75 CarbonylContact C-O 3.58Å; R32-G75 VanDerWaalsContact CA-O 3.31Å; R32-G75 WeakPolarHBondContact CA-O 3.4Å; R32-K77 HydrophobicContact CB-CB 4.2Å
33	Q	86.7	Confident	70.4	Confident	62 Å²	62	69.1 Å²	69.1	29%	0.29	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	130.6	176	172.8	-178.4	-16.6	0	0	110.1	G75 L76 K77 I374	Q33-G75 PolarHBondContact N-O 3.37Å; Q33-L76 HydrophobicContact CB-CD2 3.92Å; Q33-L76 HydrophobicContact CG-CD2 4.19Å; Q33-L76 CarbonylContact O-C 3.29Å; Q33-L76 VanDerWaalsContact O-CA 3.29Å; Q33-L76 WeakPolarHBondContact O-CA 3.44Å; Q33-K77 PolarHBondContact O-N 3.01Å; Q33-I374 PolarHBondContact NE2-O 2.72Å; Q33-I374 PolarHBondContact OE1-O 3.02Å
34	T	91	Very high	73.2	Confident	82 Å²	82	64.9 Å²	64.9	50%	0.503	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.2	-180	-56	0	0	0	0	111	K77 H79	T34-K77 CarbonylContact C-O 3.47Å; T34-K77 WeakPolarHBondContact CA-O 3.42Å; T34-H79 HydrophobicContact CG2-CB 3.56Å
35	V	92.4	Very high	75.8	Confident	0 Å²	0	60 Å²	60	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.9	176.8	172.5	0	0	0	0	109	L76 K77 L78 H79 W111	V35-L76 HydrophobicContact CG2-CB 4.22Å; V35-L76 HydrophobicContact CG2-CD1 4.12Å; V35-L76 HydrophobicContact CG2-CD2 3.81Å; V35-L76 HydrophobicContact CG2-CG 4.27Å; V35-K77 PolarHBondContact N-O 2.87Å; V35-L78 HydrophobicContact CB-CD2 3.99Å; V35-L78 HydrophobicContact CG1-CD2 3.93Å; V35-L78 WeakPolarHBondContact O-CA 3.49Å; V35-H79 PolarHBondContact O-N 3.01Å; V35-W111 HydrophobicContact CB-CD2 4.49Å; V35-W111 HydrophobicContact CG1-CB 3.76Å; V35-W111 HydrophobicContact CG1-CD2 3.58Å; V35-W111 HydrophobicContact CG1-CE3 3.7Å; V35-W111 HydrophobicContact CG1-CG 3.63Å; V35-W111 HydrophobicContact CG1-CZ3 4.46Å; V35-W111 HydrophobicContact CG2-CD2 4.21Å; V35-W111 HydrophobicContact CG2-CE3 4.09Å; V35-W111 HydrophobicContact CG2-CH2 4.13Å; V35-W111 HydrophobicContact CG2-CZ2 4.24Å; V35-W111 HydrophobicContact CG2-CZ3 4.05Å
36	T	96	Very high	78.6	Confident	26 Å²	26	54.5 Å²	54.5	16%	0.16	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130.6	-178	-53	0	0	0	0	111.4	H79 V81 H108 P110 W111	T36-H79 CarbonylContact C-O 3.59Å; T36-H79 WeakPolarHBondContact CA-O 2.97Å; T36-V81 HydrophobicContact CG2-CB 4.31Å; T36-V81 HydrophobicContact CG2-CG1 3.79Å; T36-V81 HydrophobicContact CG2-CG2 3.6Å; T36-H108 HydrophobicContact CG2-CB 4.11Å; T36-P110 HydrophobicContact CG2-CB 4.4Å; T36-P110 CarbonylContact O-C 3.47Å; T36-P110 WeakPolarHBondContact O-CA 3.34Å; T36-W111 PolarHBondContact O-N 3.14Å
37	I	96.9	Very high	81.2	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.6	167.7	-58.9	178.1	0	0	0	107.6	L78 H79 L80 V81 A112 I114 Y356	I37-L78 HydrophobicContact CD1-CB 4.45Å; I37-L78 HydrophobicContact CD1-CD1 3.84Å; I37-L78 HydrophobicContact CD1-CD2 3.91Å; I37-L78 HydrophobicContact CD1-CG 4.28Å; I37-L78 HydrophobicContact CG1-CD2 4.41Å; I37-H79 PolarHBondContact N-O 2.85Å; I37-L80 HydrophobicContact CG2-CD1 4.46Å; I37-L80 WeakPolarHBondContact O-CA 3.08Å; I37-V81 PolarHBondContact O-N 3.14Å; I37-A112 HydrophobicContact CG2-CB 4.42Å; I37-I114 HydrophobicContact CG2-CD1 3.96Å; I37-I114 HydrophobicContact CG2-CG1 3.37Å; I37-Y356 HydrophobicContact CD1-CD1 4.19Å; I37-Y356 HydrophobicContact CD1-CE1 3.99Å; I37-Y356 HydrophobicContact CG1-CE1 4.46Å
38	A	97.8	Very high	83.8	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.8	-176.4	0	0	0	0	0	111.7	V81 L104 P110 A112 F113 I114	A38-V81 CarbonylContact C-O 3.6Å; A38-V81 WeakPolarHBondContact CA-O 3.41Å; A38-V81 HydrophobicContact CB-CG2 3.76Å; A38-L104 HydrophobicContact CB-CB 4.37Å; A38-L104 HydrophobicContact CB-CD1 4.15Å; A38-P110 HydrophobicContact CB-CB 3.64Å; A38-P110 HydrophobicContact CB-CG 3.7Å; A38-A112 PolarHBondContact N-O 3.41Å; A38-F113 HydrophobicContact CB-CD1 3.77Å; A38-F113 HydrophobicContact CB-CE1 3.71Å; A38-F113 HydrophobicContact CB-CG 4.46Å; A38-F113 HydrophobicContact CB-CZ 4.37Å; A38-F113 CarbonylContact O-C 3.09Å; A38-F113 WeakPolarHBondContact O-CA 3.42Å; A38-I114 PolarHBondContact O-N 2.9Å
39	A	97.7	Very high	86.5	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	135.4	175.3	0	0	0	0	0	112.1	W52 L59 L80 V81 N82 G83 I114	A39-W52 HydrophobicContact CB-CH2 4.36Å; A39-W52 HydrophobicContact CB-CZ3 3.68Å; A39-L59 HydrophobicContact CB-CD1 4.17Å; A39-L80 HydrophobicContact CB-CD1 3.9Å; A39-V81 PolarHBondContact N-O 2.79Å; A39-N82 CarbonylContact O-C 3.59Å; A39-N82 VanDerWaalsContact O-CA 3.28Å; A39-N82 WeakPolarHBondContact O-CA 3.34Å; A39-G83 PolarHBondContact O-N 3.36Å; A39-I114 CarbonylContact C-O 3.48Å; A39-I114 VanDerWaalsContact CA-O 3.25Å; A39-I114 WeakPolarHBondContact CA-O 3.5Å; A39-I114 HydrophobicContact CB-CB 4.09Å
40	I	97	Very high	89	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	101.8	177.5	-54.3	175	0	0	0	108	A97 V100 A101 L104 F113 I114 P116 V125	I40-A97 HydrophobicContact CG2-CB 4.43Å; I40-V100 HydrophobicContact CG2-CG1 4.46Å; I40-A101 HydrophobicContact CD1-CB 3.48Å; I40-A101 VanDerWaalsContact CD1-CB 3.48Å; I40-L104 HydrophobicContact CD1-CD1 4.31Å; I40-L104 HydrophobicContact CG1-CD1 3.86Å; I40-F113 HydrophobicContact CD1-CD1 3.77Å; I40-F113 HydrophobicContact CD1-CE1 3.85Å; I40-F113 HydrophobicContact CG1-CD1 4.26Å; I40-I114 PolarHBondContact N-O 3.25Å; I40-P116 HydrophobicContact CB-CG 4.2Å; I40-P116 HydrophobicContact CG2-CG 4.09Å; I40-P116 VanDerWaalsContact O-CA 3.22Å; I40-P116 WeakPolarHBondContact O-CA 3.43Å; I40-V125 HydrophobicContact CD1-CG1 4.48Å
41	L	96.1	Very high	90.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	163.2	-175.9	-66.3	174.8	0	0	0	110.8	K43 W50 W52 V55 G83 S85 F349	L41-K43 PolarHBondContact O-N 3.48Å; L41-W50 HydrophobicContact CD2-CB 4.33Å; L41-W52 HydrophobicContact CB-CE3 4.24Å; L41-W52 HydrophobicContact CD1-CE3 4.17Å; L41-V55 HydrophobicContact CD1-CB 3.89Å; L41-V55 HydrophobicContact CD1-CG1 3.63Å; L41-V55 HydrophobicContact CD1-CG2 4.41Å; L41-G83 PolarHBondContact N-O 2.98Å; L41-S85 PolarHBondContact O-N 3.45Å; L41-F349 HydrophobicContact CD2-CZ 4.07Å
42	P	94.7	Very high	92.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	17%	0.168	C	C	.	.			trans	-63.8	117.5	176	-19.6	31.5	0	0	0	110.4	Y48 W52 S85 E86	P42-Y48 HydrophobicContact CB-CD2 3.97Å; P42-Y48 HydrophobicContact CB-CE2 4.48Å; P42-Y48 HydrophobicContact CG-CD2 3.83Å; P42-Y48 HydrophobicContact CG-CE2 4.37Å; P42-Y48 HydrophobicContact CG-CG 4.24Å; P42-W52 WeakPolarHBondContact O-CB 3.49Å; P42-W52 PolarHBondContact O-N 2.93Å; P42-S85 WeakPolarHBondContact CA-OG 3.38Å; P42-S85 WeakPolarHBondContact CD-OG 3.45Å; P42-S85 WeakPolarHBondContact CG-OG 3.4Å; P42-E86 WeakPolarHBondContact CA-OE1 3.44Å; P42-E86 HydrophobicContact CB-CG 3.9Å; P42-E86 WeakPolarHBondContact CB-OE1 3.19Å
43	K	92.2	Very high	93.1	Very high	69 Å²	69	31 Å²	31	30%	0.3	16%	0.163	S	C	.	.	S	Bend	trans	-83	-32.8	-176.4	-76.9	-167.8	175.1	178.9	0	114.2	L41 W52 N82 N84 E86	L41-K43 PolarHBondContact O-N 3.48Å; K43-W52 HydrophobicContact CG-CB 4.35Å; K43-W52 HydrophobicContact CG-CG 4.34Å; K43-N82 VanDerWaalsContact CE-OD1 3.23Å; K43-N82 WeakPolarHBondContact CE-OD1 3.18Å; K43-N82 PolarHBondContact NZ-OD1 3.29Å; K43-N84 HydrophobicContact CB-CB 4.47Å; K43-N84 HydrophobicContact CD-CB 4.08Å; K43-N84 HydrophobicContact CG-CB 4.14Å; K43-N84 PolarHBondContact N-OD1 3.41Å; K43-E86 PolarHBondContact N-OE1 3.26Å
44	T	89.3	Confident	93.4	Very high	95 Å²	95	28.9 Å²	28.9	58%	0.583	15%	0.152	S	C	*	.	S	Bend	trans	-109.7	-35.2	-170.6	66.9	0	0	0	0	112.6	T46 E86	T44-T46 PolarHBondContact O-N 2.83Å; T44-E86 WeakPolarHBondContact CB-OE2 3.41Å; T44-E86 PolarHBondContact N-OE1 3.39Å; T44-E86 PolarHBondContact N-OE2 2.96Å; T44-E86 VanDerWaalsContact OG1-CD 3.26Å; T44-E86 PolarHBondContact OG1-OE1 3.1Å; T44-E86 PolarHBondContact OG1-OE2 2.87Å
45	N	89.6	Confident	93.6	Very high	24 Å²	24	25 Å²	25	13%	0.128	13%	0.128	C	C	.	.			trans	-82.6	117.3	-177.5	-170.7	-24.8	0	0	0	111.3	E47 Y48 S51 E86 G90	N45-E47 VanDerWaalsContact OD1-CB 3.32Å; N45-E47 WeakPolarHBondContact OD1-CB 3.44Å; N45-E47 WeakPolarHBondContact OD1-CG 3.33Å; N45-E47 PolarHBondContact OD1-N 2.75Å; N45-Y48 HydrophobicContact CB-CD2 4.03Å; N45-Y48 HydrophobicContact CB-CE2 4Å; N45-Y48 WeakPolarHBondContact ND2-CE2 3.13Å; N45-S51 WeakPolarHBondContact O-CB 3.06Å; N45-E86 PolarHBondContact N-OE1 3.33Å; N45-G90 VanDerWaalsContact CB-O 3.25Å; N45-G90 WeakPolarHBondContact CB-O 3.42Å; N45-G90 PolarHBondContact ND2-O 3.45Å
46	T	88.9	Confident	93.8	Very high	56 Å²	56	25 Å²	25	34%	0.344	13%	0.128	S	C	.	.			trans	-92.5	-7.8	-175.9	56.1	0	0	0	0	114.4	T44 Y48 L53 R54 F335	T44-T46 PolarHBondContact O-N 2.83Å; T46-Y48 PolarHBondContact O-N 3.15Å; T46-L53 HydrophobicContact CG2-CD1 3.74Å; T46-R54 PolarHBondContact O-NH1 2.86Å; T46-F335 HydrophobicContact CG2-CD2 4.29Å; T46-F335 HydrophobicContact CG2-CE2 3.69Å; T46-F335 HydrophobicContact CG2-CZ 4.21Å
47	E	87.5	Confident	93.8	Very high	140 Å²	140	23.9 Å²	23.9	65%	0.654	12%	0.122	S	C	*	.	S	Bend	trans	-66.7	-28.6	179.7	-62	-177.2	164.6	0	0	111.3	N45	N45-E47 VanDerWaalsContact OD1-CB 3.32Å; N45-E47 WeakPolarHBondContact OD1-CB 3.44Å; N45-E47 WeakPolarHBondContact OD1-CG 3.33Å; N45-E47 PolarHBondContact OD1-N 2.75Å
48	Y	90.7	Very high	93.7	Very high	25 Å²	25	23.9 Å²	23.9	10%	0.098	12%	0.122	C	C	.	.	S	Bend	trans	-72.2	137	178.4	-62.5	-73.9	0	0	0	112.3	P42 N45 T46 W50 S51 R54 C92 C118	P42-Y48 HydrophobicContact CB-CD2 3.97Å; P42-Y48 HydrophobicContact CB-CE2 4.48Å; P42-Y48 HydrophobicContact CG-CD2 3.83Å; P42-Y48 HydrophobicContact CG-CE2 4.37Å; P42-Y48 HydrophobicContact CG-CG 4.24Å; N45-Y48 HydrophobicContact CB-CD2 4.03Å; N45-Y48 HydrophobicContact CB-CE2 4Å; N45-Y48 WeakPolarHBondContact ND2-CE2 3.13Å; T46-Y48 PolarHBondContact O-N 3.15Å; Y48-W50 AromaticContact CD1-CE2 3.9Å; Y48-W50 AromaticContact CD1-CZ2 3.88Å; Y48-W50 HydrophobicContact CD1-CZ2 3.88Å; Y48-W50 AromaticContact CD1-NE1 3.69Å; Y48-W50 AromaticContact CG-NE1 3.8Å; Y48-W50 PolarHBondContact O-N 2.55Å; Y48-S51 VanDerWaalsContact O-CB 3.31Å; Y48-S51 WeakPolarHBondContact O-CB 3.42Å; Y48-S51 PolarHBondContact O-N 2.82Å; Y48-S51 VanDerWaalsContact O-N 3.09Å; Y48-S51 PolarHBondContact O-OG 2.82Å; Y48-R54 PolarHBondContact O-NH1 3Å; Y48-R54 VanDerWaalsContact O-NH1 3.12Å; Y48-C92 VanDerWaalsContact CZ-SG 3.54Å; Y48-C92 PolarHBondContact OH-SG 3Å; Y48-C118 VanDerWaalsContact CE1-SG 3.57Å
49	P	92.2	Very high	93.7	Very high	10 Å²	10	23.9 Å²	23.9	7%	0.065	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.3	171.1	-24.2	33.6	0	0	0	112.5	R54 F273 Y342 I345	P49-R54 WeakPolarHBondContact O-CD 3.27Å; P49-F273 HydrophobicContact CB-CE1 4.4Å; P49-F273 HydrophobicContact CB-CZ 4.07Å; P49-F273 HydrophobicContact CG-CD2 4.44Å; P49-F273 HydrophobicContact CG-CE1 4.32Å; P49-F273 HydrophobicContact CG-CE2 3.75Å; P49-F273 HydrophobicContact CG-CZ 3.68Å; P49-Y342 HydrophobicContact CB-CD1 4.13Å; P49-Y342 HydrophobicContact CB-CG 4.13Å; P49-Y342 HydrophobicContact CG-CD1 3.87Å; P49-Y342 HydrophobicContact CG-CE1 3.92Å; P49-Y342 HydrophobicContact CG-CG 4.21Å; P49-I345 HydrophobicContact CB-CB 4.19Å; P49-I345 HydrophobicContact CB-CG1 3.8Å; P49-I345 HydrophobicContact CB-CG2 4.36Å
50	W	94.4	Very high	93.6	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.019	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	21	178.5	51.4	74.3	0	0	0	113.9	L41 Y48 V55 C118 I345 F349	L41-W50 HydrophobicContact CD2-CB 4.33Å; Y48-W50 AromaticContact CD1-CE2 3.9Å; Y48-W50 AromaticContact CD1-CZ2 3.88Å; Y48-W50 HydrophobicContact CD1-CZ2 3.88Å; Y48-W50 AromaticContact CD1-NE1 3.69Å; Y48-W50 AromaticContact CG-NE1 3.8Å; Y48-W50 PolarHBondContact O-N 2.55Å; W50-V55 HydrophobicContact CB-CG2 4.41Å; W50-C118 HydrophobicContact CZ2-CB 4.32Å; W50-C118 PolarHBondContact NE1-SG 2.8Å; W50-I345 HydrophobicContact CB-CG2 4.25Å; W50-F349 HydrophobicContact CB-CE2 3.76Å; W50-F349 HydrophobicContact CB-CZ 4.31Å
51	S	94.9	Very high	93.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	15%	0.15	C	C	.	.			trans	-60	145.5	174.8	54.4	0	0	0	0	111.5	N45 Y48 L53 R54 V55	N45-S51 WeakPolarHBondContact O-CB 3.06Å; Y48-S51 VanDerWaalsContact O-CB 3.31Å; Y48-S51 WeakPolarHBondContact O-CB 3.42Å; Y48-S51 PolarHBondContact O-N 2.82Å; Y48-S51 VanDerWaalsContact O-N 3.09Å; Y48-S51 PolarHBondContact O-OG 2.82Å; S51-L53 VanDerWaalsContact C-N 3.26Å; S51-L53 PolarHBondContact O-N 3.36Å; S51-R54 PolarHBondContact O-N 3.31Å; S51-R54 PolarHBondContact OG-NH1 3.5Å; S51-V55 PolarHBondContact O-N 2.74Å
52	W	95.3	Very high	93.5	Very high	17 Å²	17	30.7 Å²	30.7	6%	0.064	15%	0.15	C	C	.	.	H	α-helix	trans	-56.7	-40.2	-178.2	-178	-102	0	0	0	111.9	A39 L41 P42 K43 R54 V55 A56 L59 Y60 L80 N82 F333	A39-W52 HydrophobicContact CB-CH2 4.36Å; A39-W52 HydrophobicContact CB-CZ3 3.68Å; L41-W52 HydrophobicContact CB-CE3 4.24Å; L41-W52 HydrophobicContact CD1-CE3 4.17Å; P42-W52 WeakPolarHBondContact O-CB 3.49Å; P42-W52 PolarHBondContact O-N 2.93Å; K43-W52 HydrophobicContact CG-CB 4.35Å; K43-W52 HydrophobicContact CG-CG 4.34Å; W52-R54 PolarHBondContact O-N 3.38Å; W52-V55 PolarHBondContact O-N 2.78Å; W52-A56 HydrophobicContact CD2-CB 3.75Å; W52-A56 VanDerWaalsContact CE2-CB 3.43Å; W52-A56 HydrophobicContact CE3-CB 4.2Å; W52-A56 HydrophobicContact CG-CB 4.16Å; W52-A56 HydrophobicContact CH2-CB 4.09Å; W52-A56 HydrophobicContact CZ2-CB 3.62Å; W52-A56 HydrophobicContact CZ3-CB 4.36Å; W52-A56 WeakPolarHBondContact O-CA 3.41Å; W52-A56 WeakPolarHBondContact O-CB 3.42Å; W52-A56 PolarHBondContact O-N 3.5Å; W52-L59 HydrophobicContact CZ3-CD1 4.17Å; W52-Y60 HydrophobicContact CZ2-CE2 4.32Å; W52-L80 HydrophobicContact CH2-CD2 3.86Å; W52-L80 HydrophobicContact CH2-CG 4.46Å; W52-N82 HydrophobicContact CE3-CB 4.39Å; W52-N82 HydrophobicContact CH2-CB 3.37Å; W52-N82 HydrophobicContact CZ2-CB 3.69Å; W52-N82 VanDerWaalsContact CZ2-ND2 3.28Å; W52-N82 WeakPolarHBondContact CZ2-ND2 3.4Å; W52-N82 HydrophobicContact CZ3-CB 3.76Å; W52-F333 AromaticContact NE1-CE1 3.92Å
53	L	93.6	Very high	93.6	Very high	38 Å²	38	31.2 Å²	31.2	20%	0.199	15%	0.153	C	C	.	.	H	α-helix	trans	-65.1	-22.1	-179.5	-61.4	179.8	0	0	0	113.4	T46 S51 F333 F335	T46-L53 HydrophobicContact CG2-CD1 3.74Å; S51-L53 VanDerWaalsContact C-N 3.26Å; S51-L53 PolarHBondContact O-N 3.36Å; L53-F333 HydrophobicContact CD2-CB 3.98Å; L53-F333 HydrophobicContact CD2-CD1 4.07Å; L53-F333 HydrophobicContact CD2-CG 4.33Å; L53-F335 HydrophobicContact CB-CB 4.2Å; L53-F335 HydrophobicContact CB-CD1 3.97Å; L53-F335 HydrophobicContact CB-CD2 4.37Å; L53-F335 HydrophobicContact CB-CE1 4.46Å; L53-F335 HydrophobicContact CB-CG 3.92Å; L53-F335 HydrophobicContact CD1-CD2 4.22Å; L53-F335 HydrophobicContact CD1-CG 4.43Å
54	R	93.4	Very high	93.7	Very high	16 Å²	16	31.2 Å²	31.2	6%	0.06	16%	0.161	C	C	.	.	H	α-helix	trans	-94.1	-40.3	174.6	-172.7	176.5	-75.1	100.4	-1.9	112.4	T46 Y48 P49 S51 W52 I337 A346	T46-R54 PolarHBondContact O-NH1 2.86Å; Y48-R54 PolarHBondContact O-NH1 3Å; Y48-R54 VanDerWaalsContact O-NH1 3.12Å; P49-R54 WeakPolarHBondContact O-CD 3.27Å; S51-R54 PolarHBondContact O-N 3.31Å; S51-R54 PolarHBondContact OG-NH1 3.5Å; W52-R54 PolarHBondContact O-N 3.38Å; R54-I337 HydrophobicContact CG-CD1 4.25Å; R54-A346 HydrophobicContact CG-CB 4.31Å
55	V	96.1	Very high	94	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-86.9	-31.3	-173.2	176.4	0	0	0	0	113.1	L41 W50 S51 W52 A58 L59 F349	L41-V55 HydrophobicContact CD1-CB 3.89Å; L41-V55 HydrophobicContact CD1-CG1 3.63Å; L41-V55 HydrophobicContact CD1-CG2 4.41Å; W50-V55 HydrophobicContact CB-CG2 4.41Å; S51-V55 PolarHBondContact O-N 2.74Å; W52-V55 PolarHBondContact O-N 2.78Å; V55-A58 WeakPolarHBondContact O-CB 3.4Å; V55-A58 PolarHBondContact O-N 2.68Å; V55-L59 HydrophobicContact CG1-CD1 3.88Å; V55-L59 HydrophobicContact CG1-CD2 4.38Å; V55-L59 HydrophobicContact CG1-CG 3.84Å; V55-L59 WeakPolarHBondContact O-CG 3.1Å; V55-L59 PolarHBondContact O-N 3.31Å; V55-F349 HydrophobicContact CB-CD2 4.39Å; V55-F349 HydrophobicContact CG1-CB 3.76Å; V55-F349 HydrophobicContact CG1-CD1 4.18Å; V55-F349 HydrophobicContact CG1-CD2 3.63Å; V55-F349 HydrophobicContact CG1-CE2 4.28Å; V55-F349 HydrophobicContact CG1-CG 3.59Å; V55-F349 HydrophobicContact CG2-CD2 3.75Å; V55-F349 HydrophobicContact CG2-CE2 4.09Å
56	A	95.3	Very high	94.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.7	-45.4	-176.5	0	0	0	0	0	113.9	W52 A58 L59 Y60 F333	W52-A56 HydrophobicContact CD2-CB 3.75Å; W52-A56 VanDerWaalsContact CE2-CB 3.43Å; W52-A56 HydrophobicContact CE3-CB 4.2Å; W52-A56 HydrophobicContact CG-CB 4.16Å; W52-A56 HydrophobicContact CH2-CB 4.09Å; W52-A56 HydrophobicContact CZ2-CB 3.62Å; W52-A56 HydrophobicContact CZ3-CB 4.36Å; W52-A56 WeakPolarHBondContact O-CA 3.41Å; W52-A56 WeakPolarHBondContact O-CB 3.42Å; W52-A56 PolarHBondContact O-N 3.5Å; A56-A58 VanDerWaalsContact C-N 3.28Å; A56-A58 PolarHBondContact O-N 3.41Å; A56-L59 PolarHBondContact O-N 3.07Å; A56-L59 VanDerWaalsContact O-N 3.15Å; A56-Y60 HydrophobicContact CB-CD2 4.36Å; A56-Y60 HydrophobicContact CB-CE2 4.19Å; A56-Y60 WeakPolarHBondContact O-CD2 3.05Å; A56-Y60 PolarHBondContact O-N 2.95Å; A56-F333 HydrophobicContact CB-CE1 4.15Å; A56-F333 HydrophobicContact CB-CE2 4.13Å; A56-F333 HydrophobicContact CB-CZ 3.66Å
57	P	95.7	Very high	94.5	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-56.8	-43	176	-19.8	30	0	0	0	112	L59 Y60 Q61 L325 D328 A329 F333	P57-L59 PolarHBondContact O-N 2.8Å; P57-Y60 PolarHBondContact O-N 3.36Å; P57-Q61 WeakPolarHBondContact O-CB 2.91Å; P57-Q61 PolarHBondContact O-N 2.93Å; P57-L325 HydrophobicContact CB-CD1 4Å; P57-D328 HydrophobicContact CB-CB 4.02Å; P57-A329 HydrophobicContact CG-CB 3.9Å; P57-F333 HydrophobicContact CG-CD2 3.8Å; P57-F333 HydrophobicContact CG-CE2 3.76Å
58	A	96.2	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-44.5	176	0	0	0	0	0	112.2	V55 A56 Q61 A62 F321 L325 A346 Y350	V55-A58 WeakPolarHBondContact O-CB 3.4Å; V55-A58 PolarHBondContact O-N 2.68Å; A56-A58 VanDerWaalsContact C-N 3.28Å; A56-A58 PolarHBondContact O-N 3.41Å; A58-Q61 PolarHBondContact O-N 2.94Å; A58-A62 PolarHBondContact O-N 3.35Å; A58-F321 HydrophobicContact CB-CE2 4.26Å; A58-F321 HydrophobicContact CB-CZ 3.84Å; A58-L325 HydrophobicContact CB-CD1 3.8Å; A58-A346 HydrophobicContact CB-CB 4.21Å; A58-A346 WeakPolarHBondContact CB-O 3.41Å; A58-Y350 WeakPolarHBondContact O-CD2 3.44Å
59	L	96.9	Very high	94.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.6	-41.6	177.3	-64.8	178.2	0	0	0	112.3	A39 W52 V55 A56 P57 A62 I63 L80 I114 F349 V353	A39-L59 HydrophobicContact CB-CD1 4.17Å; W52-L59 HydrophobicContact CZ3-CD1 4.17Å; V55-L59 HydrophobicContact CG1-CD1 3.88Å; V55-L59 HydrophobicContact CG1-CD2 4.38Å; V55-L59 HydrophobicContact CG1-CG 3.84Å; V55-L59 WeakPolarHBondContact O-CG 3.1Å; V55-L59 PolarHBondContact O-N 3.31Å; A56-L59 PolarHBondContact O-N 3.07Å; A56-L59 VanDerWaalsContact O-N 3.15Å; P57-L59 PolarHBondContact O-N 2.8Å; L59-A62 PolarHBondContact O-N 3.12Å; L59-I63 WeakPolarHBondContact O-CB 3.32Å; L59-I63 VanDerWaalsContact O-CG1 3.26Å; L59-I63 WeakPolarHBondContact O-CG1 3.45Å; L59-I63 PolarHBondContact O-N 3.43Å; L59-L80 HydrophobicContact CB-CD2 3.92Å; L59-L80 HydrophobicContact CD1-CD2 4.22Å; L59-I114 HydrophobicContact CD1-CG2 4.19Å; L59-I114 HydrophobicContact CD2-CG2 3.9Å; L59-F349 HydrophobicContact CD2-CB 4.16Å; L59-V353 HydrophobicContact CD2-CG2 3.62Å
60	Y	96.3	Very high	94.5	Very high	102 Å²	102	32.6 Å²	32.6	40%	0.4	18%	0.177	S	C	.	.	H	α-helix	trans	-65.3	-40.5	176.8	-76.3	-63.5	0	0	0	111.7	W52 A56 P57 I63 S64 L80 F333	W52-Y60 HydrophobicContact CZ2-CE2 4.32Å; A56-Y60 HydrophobicContact CB-CD2 4.36Å; A56-Y60 HydrophobicContact CB-CE2 4.19Å; A56-Y60 WeakPolarHBondContact O-CD2 3.05Å; A56-Y60 PolarHBondContact O-N 2.95Å; P57-Y60 PolarHBondContact O-N 3.36Å; Y60-I63 PolarHBondContact O-N 3.03Å; Y60-S64 VanDerWaalsContact O-CB 3.24Å; Y60-S64 WeakPolarHBondContact O-CB 3.45Å; Y60-S64 PolarHBondContact O-N 3.32Å; Y60-L80 HydrophobicContact CE1-CB 4.49Å; Y60-L80 HydrophobicContact CE1-CD2 4.15Å; Y60-F333 HydrophobicContact CD2-CZ 4.17Å; Y60-F333 AromaticContact CE2-CZ 3.89Å; Y60-F333 HydrophobicContact CE2-CZ 3.89Å
61	Q	95.1	Very high	94.2	Very high	42 Å²	42	42.8 Å²	42.8	20%	0.196	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-46.5	175.4	-166.5	179.5	-1.2	0	0	111.4	P57 A58 I63 S64 Q65 Y350	P57-Q61 WeakPolarHBondContact O-CB 2.91Å; P57-Q61 PolarHBondContact O-N 2.93Å; A58-Q61 PolarHBondContact O-N 2.94Å; Q61-I63 PolarHBondContact O-N 3.07Å; Q61-S64 PolarHBondContact O-N 2.95Å; Q61-Q65 PolarHBondContact O-N 3.16Å; Q61-Y350 HydrophobicContact CB-CD2 4.33Å; Q61-Y350 HydrophobicContact CB-CE2 4.11Å; Q61-Y350 HydrophobicContact CG-CE2 4Å
62	A	96.2	Very high	93.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.6	-47.7	177.3	0	0	0	0	0	111.6	A58 L59 S64 Q65 V66 Y350 V353 M354	A58-A62 PolarHBondContact O-N 3.35Å; L59-A62 PolarHBondContact O-N 3.12Å; A62-S64 VanDerWaalsContact C-N 3.33Å; A62-S64 PolarHBondContact O-N 3.23Å; A62-Q65 PolarHBondContact O-N 2.65Å; A62-V66 WeakPolarHBondContact O-CG2 3.22Å; A62-V66 PolarHBondContact O-N 3.2Å; A62-Y350 HydrophobicContact CB-CD2 3.53Å; A62-Y350 HydrophobicContact CB-CE2 3.68Å; A62-Y350 HydrophobicContact CB-CG 4.03Å; A62-Y350 VanDerWaalsContact N-CE2 3.34Å; A62-V353 HydrophobicContact CB-CB 3.88Å; A62-V353 HydrophobicContact CB-CG1 3.88Å; A62-M354 HydrophobicContact CB-SD 4.5Å
63	I	96.2	Very high	93.6	Very high	12 Å²	12	43 Å²	43	6%	0.062	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-38.5	179.5	-71.6	171.8	0	0	0	111.4	L59 Y60 Q61 V66 N67 L78 L80 V353	L59-I63 WeakPolarHBondContact O-CB 3.32Å; L59-I63 VanDerWaalsContact O-CG1 3.26Å; L59-I63 WeakPolarHBondContact O-CG1 3.45Å; L59-I63 PolarHBondContact O-N 3.43Å; Y60-I63 PolarHBondContact O-N 3.03Å; Q61-I63 PolarHBondContact O-N 3.07Å; I63-V66 PolarHBondContact O-N 3.06Å; I63-N67 WeakPolarHBondContact CG2-ND2 3.37Å; I63-N67 VanDerWaalsContact O-CB 3.28Å; I63-N67 WeakPolarHBondContact O-CB 3.32Å; I63-N67 PolarHBondContact O-N 3.26Å; I63-N67 PolarHBondContact O-ND2 2.85Å; I63-L78 HydrophobicContact CG2-CB 4.03Å; I63-L80 HydrophobicContact CD1-CB 3.64Å; I63-L80 HydrophobicContact CD1-CD1 4.09Å; I63-L80 HydrophobicContact CD1-CD2 4.11Å; I63-L80 HydrophobicContact CD1-CG 4.17Å; I63-V353 HydrophobicContact CG1-CG1 4.18Å
64	S	94.9	Very high	93.2	Very high	68 Å²	68	45.1 Å²	45.1	48%	0.476	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-47	174.1	-171.3	0	0	0	0	110.7	Y60 Q61 A62 V66 N67 C68	Y60-S64 VanDerWaalsContact O-CB 3.24Å; Y60-S64 WeakPolarHBondContact O-CB 3.45Å; Y60-S64 PolarHBondContact O-N 3.32Å; Q61-S64 PolarHBondContact O-N 2.95Å; A62-S64 VanDerWaalsContact C-N 3.33Å; A62-S64 PolarHBondContact O-N 3.23Å; S64-V66 PolarHBondContact O-N 3.23Å; S64-N67 PolarHBondContact O-N 3.5Å; S64-C68 WeakPolarHBondContact O-CB 3.42Å; S64-C68 PolarHBondContact O-N 3.3Å; S64-C68 PolarHBondContact O-SG 3.34Å
65	Q	94.5	Very high	92.8	Very high	99 Å²	99	46.2 Å²	46.2	46%	0.463	25%	0.25	S	S	.	.	H	α-helix	trans	-61	-45.1	177.4	-179.5	159.7	-30.1	0	0	112.1	Q61 A62 N67 C68 D69 Y350 M354	Q61-Q65 PolarHBondContact O-N 3.16Å; A62-Q65 PolarHBondContact O-N 2.65Å; Q65-N67 VanDerWaalsContact C-N 3.35Å; Q65-N67 PolarHBondContact O-N 2.77Å; Q65-C68 PolarHBondContact O-N 3.24Å; Q65-D69 PolarHBondContact O-N 3.07Å; Q65-Y350 PolarHBondContact OE1-OH 2.88Å; Q65-M354 HydrophobicContact CG-CE 4.29Å
66	V	94.8	Very high	92.5	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.251	C	S	.	.	H	α-helix	trans	-61.3	-43.6	175.7	175.9	0	0	0	0	111.4	A62 I63 S64 C68 D69 L72 L73 L78 M354 A357	A62-V66 WeakPolarHBondContact O-CG2 3.22Å; A62-V66 PolarHBondContact O-N 3.2Å; I63-V66 PolarHBondContact O-N 3.06Å; S64-V66 PolarHBondContact O-N 3.23Å; V66-C68 VanDerWaalsContact C-N 3.31Å; V66-C68 PolarHBondContact O-N 3.47Å; V66-D69 PolarHBondContact O-N 2.82Å; V66-L72 HydrophobicContact CB-CD2 4.26Å; V66-L72 HydrophobicContact CG1-CD2 4.08Å; V66-L72 HydrophobicContact CG1-CG 4.21Å; V66-L72 HydrophobicContact CG2-CD2 3.84Å; V66-L73 HydrophobicContact CG1-CD1 3.88Å; V66-L73 HydrophobicContact CG1-CG 4.49Å; V66-L78 HydrophobicContact CB-CD1 4.05Å; V66-L78 HydrophobicContact CG1-CD1 3.6Å; V66-L78 HydrophobicContact CG1-CG 4.08Å; V66-L78 HydrophobicContact CG2-CD1 4.28Å; V66-M354 HydrophobicContact CG2-CE 4.36Å; V66-M354 HydrophobicContact CG2-SD 3.66Å; V66-A357 HydrophobicContact CG1-CB 4.01Å; V66-A357 HydrophobicContact CG2-CB 3.74Å
67	N	95	Very high	92.4	Very high	24 Å²	24	50.3 Å²	50.3	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-72.5	-23.2	-178	-74.5	-28	0	0	0	113.6	R32 I63 S64 Q65 K77 L78	R32-N67 PolarHBondContact NH1-O 2.99Å; I63-N67 WeakPolarHBondContact CG2-ND2 3.37Å; I63-N67 VanDerWaalsContact O-CB 3.28Å; I63-N67 WeakPolarHBondContact O-CB 3.32Å; I63-N67 PolarHBondContact O-N 3.26Å; I63-N67 PolarHBondContact O-ND2 2.85Å; S64-N67 PolarHBondContact O-N 3.5Å; Q65-N67 VanDerWaalsContact C-N 3.35Å; Q65-N67 PolarHBondContact O-N 2.77Å; N67-K77 WeakPolarHBondContact OD1-CA 3.34Å; N67-L78 PolarHBondContact ND2-O 3.29Å; N67-L78 PolarHBondContact OD1-N 2.9Å
68	C	93.6	Very high	92.4	Very high	96 Å²	96	50.3 Å²	50.3	65%	0.649	27%	0.268	S	S	*	.	H	α-helix	trans	-88	-22.9	177.5	-73	0	0	0	0	113	S64 Q65 V66 P70	S64-C68 WeakPolarHBondContact O-CB 3.42Å; S64-C68 PolarHBondContact O-N 3.3Å; S64-C68 PolarHBondContact O-SG 3.34Å; Q65-C68 PolarHBondContact O-N 3.24Å; V66-C68 VanDerWaalsContact C-N 3.31Å; V66-C68 PolarHBondContact O-N 3.47Å; C68-P70 VanDerWaalsContact O-CD 3.28Å; C68-P70 WeakPolarHBondContact O-CD 3.3Å
69	D	91.5	Very high	92.4	Very high	60 Å²	60	55 Å²	55	32%	0.321	29%	0.289	S	S	.	.			trans	-80	112.7	178.3	-172.2	-12.6	0	0	0	111.2	Q65 V66 W71 L72	Q65-D69 PolarHBondContact O-N 3.07Å; V66-D69 PolarHBondContact O-N 2.82Å; D69-W71 PolarHBondContact O-N 2.75Å; D69-W71 WeakPolarHBondContact OD1-CB 3.35Å; D69-W71 PolarHBondContact OD1-N 2.86Å; D69-L72 HydrophobicContact CB-CB 4.01Å; D69-L72 PolarHBondContact O-N 3.39Å
70	P	84.6	Confident	92.4	Very high	99 Å²	99	55.7 Å²	55.7	64%	0.643	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.1	-179.2	28.5	-34.7	0	0	0	113.9	C68	C68-P70 VanDerWaalsContact O-CD 3.28Å; C68-P70 WeakPolarHBondContact O-CD 3.3Å
71	W	87.8	Confident	92.4	Very high	218 Å²	218	51.6 Å²	51.6	83%	0.826	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-15	-179.5	-58.6	103.2	0	0	0	113.3	D69 N361	D69-W71 PolarHBondContact O-N 2.75Å; D69-W71 WeakPolarHBondContact OD1-CB 3.35Å; D69-W71 PolarHBondContact OD1-N 2.86Å; W71-N361 PolarHBondContact O-ND2 2.8Å
72	L	89.2	Confident	92.4	Very high	17 Å²	17	52.2 Å²	52.2	9%	0.089	28%	0.283	C	S	.	.	S	Bend	trans	-103.9	114.2	-177.4	-164.5	60.6	0	0	0	109.9	V66 D69 M354 A357 Q358 N361	V66-L72 HydrophobicContact CB-CD2 4.26Å; V66-L72 HydrophobicContact CG1-CD2 4.08Å; V66-L72 HydrophobicContact CG1-CG 4.21Å; V66-L72 HydrophobicContact CG2-CD2 3.84Å; D69-L72 HydrophobicContact CB-CB 4.01Å; D69-L72 PolarHBondContact O-N 3.39Å; L72-M354 HydrophobicContact CD2-CE 4.05Å; L72-A357 HydrophobicContact CD1-CB 4.47Å; L72-A357 HydrophobicContact CD2-CB 4.06Å; L72-A357 HydrophobicContact CG-CB 4.26Å; L72-Q358 HydrophobicContact CD1-CG 4.09Å; L72-N361 HydrophobicContact CD1-CB 4.13Å
73	L	89.8	Confident	92.3	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	29%	0.286	C	S	.	.	S	Bend	trans	58.3	57.3	-177.6	-56	177.1	0	0	0	114	V66 G75 L76 L78 A357 L360 N361 L364	V66-L73 HydrophobicContact CG1-CD1 3.88Å; V66-L73 HydrophobicContact CG1-CG 4.49Å; L73-G75 PolarHBondContact O-N 2.76Å; L73-L76 HydrophobicContact CB-CB 4.15Å; L73-L76 HydrophobicContact CB-CD1 4.47Å; L73-L76 HydrophobicContact CD2-CD1 4.43Å; L73-L76 PolarHBondContact O-N 3.1Å; L73-L78 HydrophobicContact CD1-CD1 4.16Å; L73-L78 HydrophobicContact CD1-CD2 3.9Å; L73-L78 HydrophobicContact CD1-CG 4.06Å; L73-A357 HydrophobicContact CD1-CB 4.09Å; L73-L360 HydrophobicContact CD1-CD2 4.1Å; L73-L360 HydrophobicContact CD2-CB 3.93Å; L73-L360 HydrophobicContact CD2-CD2 3.78Å; L73-L360 HydrophobicContact CD2-CG 3.67Å; L73-N361 HydrophobicContact CD2-CB 3.84Å; L73-N361 HydrophobicContact CG-CB 4.47Å; L73-N361 PolarHBondContact N-OD1 3.28Å; L73-L364 HydrophobicContact CD2-CD1 4.1Å
74	P	85.1	Confident	92.3	Very high	84 Å²	84	54 Å²	54	55%	0.545	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	129.4	-178.4	27.1	-34.6	0	0	0	111.1	L76 N361	P74-L76 VanDerWaalsContact C-N 3.31Å; P74-N361 WeakPolarHBondContact CD-OD1 3.24Å
75	G	84.8	Confident	92.2	Very high	38 Å²	38	50.9 Å²	50.9	39%	0.392	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-2.9	-178.4	0	0	0	0	0	115.1	R32 Q33 L73	R32-G75 CarbonylContact C-O 3.58Å; R32-G75 VanDerWaalsContact CA-O 3.31Å; R32-G75 WeakPolarHBondContact CA-O 3.4Å; Q33-G75 PolarHBondContact N-O 3.37Å; L73-G75 PolarHBondContact O-N 2.76Å
76	L	90.1	Very high	92.1	Very high	3 Å²	3	46.5 Å²	46.5	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	155	175.2	-59.4	176.4	0	0	0	111.4	Q33 V35 L73 P74 L364 I374	Q33-L76 HydrophobicContact CB-CD2 3.92Å; Q33-L76 HydrophobicContact CG-CD2 4.19Å; Q33-L76 CarbonylContact O-C 3.29Å; Q33-L76 VanDerWaalsContact O-CA 3.29Å; Q33-L76 WeakPolarHBondContact O-CA 3.44Å; V35-L76 HydrophobicContact CG2-CB 4.22Å; V35-L76 HydrophobicContact CG2-CD1 4.12Å; V35-L76 HydrophobicContact CG2-CD2 3.81Å; V35-L76 HydrophobicContact CG2-CG 4.27Å; L73-L76 HydrophobicContact CB-CB 4.15Å; L73-L76 HydrophobicContact CB-CD1 4.47Å; L73-L76 HydrophobicContact CD2-CD1 4.43Å; L73-L76 PolarHBondContact O-N 3.1Å; P74-L76 VanDerWaalsContact C-N 3.31Å; L76-L364 HydrophobicContact CD1-CD1 3.44Å; L76-L364 VanDerWaalsContact CD1-CD1 3.44Å; L76-I374 HydrophobicContact CD1-CD1 4.47Å; L76-I374 HydrophobicContact CD1-CG2 4.49Å; L76-I374 HydrophobicContact CD2-CB 4.1Å; L76-I374 HydrophobicContact CD2-CD1 3.7Å; L76-I374 HydrophobicContact CD2-CG1 4.43Å; L76-I374 HydrophobicContact CD2-CG2 4.36Å; L76-I374 HydrophobicContact CG-CD1 3.9Å
77	K	93.1	Very high	91.8	Very high	83 Å²	83	47.7 Å²	47.7	36%	0.361	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.1	173.2	-175.8	177.6	-178.2	172.6	0	109.7	R32 Q33 T34 V35 N67	R32-K77 HydrophobicContact CB-CB 4.2Å; Q33-K77 PolarHBondContact O-N 3.01Å; T34-K77 CarbonylContact C-O 3.47Å; T34-K77 WeakPolarHBondContact CA-O 3.42Å; V35-K77 PolarHBondContact N-O 2.87Å; N67-K77 WeakPolarHBondContact OD1-CA 3.34Å
78	L	94.8	Very high	91.4	Very high	5 Å²	5	53 Å²	53	3%	0.026	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.7	177.5	-63.2	-173.1	0	0	0	110.8	V35 I37 I63 V66 N67 L73	V35-L78 HydrophobicContact CB-CD2 3.99Å; V35-L78 HydrophobicContact CG1-CD2 3.93Å; V35-L78 WeakPolarHBondContact O-CA 3.49Å; I37-L78 HydrophobicContact CD1-CB 4.45Å; I37-L78 HydrophobicContact CD1-CD1 3.84Å; I37-L78 HydrophobicContact CD1-CD2 3.91Å; I37-L78 HydrophobicContact CD1-CG 4.28Å; I37-L78 HydrophobicContact CG1-CD2 4.41Å; I63-L78 HydrophobicContact CG2-CB 4.03Å; V66-L78 HydrophobicContact CB-CD1 4.05Å; V66-L78 HydrophobicContact CG1-CD1 3.6Å; V66-L78 HydrophobicContact CG1-CG 4.08Å; V66-L78 HydrophobicContact CG2-CD1 4.28Å; N67-L78 PolarHBondContact ND2-O 3.29Å; N67-L78 PolarHBondContact OD1-N 2.9Å; L73-L78 HydrophobicContact CD1-CD1 4.16Å; L73-L78 HydrophobicContact CD1-CD2 3.9Å; L73-L78 HydrophobicContact CD1-CG 4.06Å
79	H	95.8	Very high	90.9	Very high	97 Å²	97	53.3 Å²	53.3	45%	0.449	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.5	176.6	177.2	-78.5	0	0	0	110.3	T34 V35 T36 I37	T34-H79 HydrophobicContact CG2-CB 3.56Å; V35-H79 PolarHBondContact O-N 3.01Å; T36-H79 CarbonylContact C-O 3.59Å; T36-H79 WeakPolarHBondContact CA-O 2.97Å; I37-H79 PolarHBondContact N-O 2.85Å
80	L	96.6	Very high	90.6	Very high	15 Å²	15	51.2 Å²	51.2	8%	0.079	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	127.1	-179.1	-168.9	59.6	0	0	0	111.3	I37 A39 W52 L59 Y60 I63	I37-L80 HydrophobicContact CG2-CD1 4.46Å; I37-L80 WeakPolarHBondContact O-CA 3.08Å; A39-L80 HydrophobicContact CB-CD1 3.9Å; W52-L80 HydrophobicContact CH2-CD2 3.86Å; W52-L80 HydrophobicContact CH2-CG 4.46Å; L59-L80 HydrophobicContact CB-CD2 3.92Å; L59-L80 HydrophobicContact CD1-CD2 4.22Å; Y60-L80 HydrophobicContact CE1-CB 4.49Å; Y60-L80 HydrophobicContact CE1-CD2 4.15Å; I63-L80 HydrophobicContact CD1-CB 3.64Å; I63-L80 HydrophobicContact CD1-CD1 4.09Å; I63-L80 HydrophobicContact CD1-CD2 4.11Å; I63-L80 HydrophobicContact CD1-CG 4.17Å
81	V	96.8	Very high	90.8	Very high	16 Å²	16	51 Å²	51	10%	0.097	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	151.4	162.3	-61.9	0	0	0	0	109.1	T36 I37 A38 A39 L104	T36-V81 HydrophobicContact CG2-CB 4.31Å; T36-V81 HydrophobicContact CG2-CG1 3.79Å; T36-V81 HydrophobicContact CG2-CG2 3.6Å; I37-V81 PolarHBondContact O-N 3.14Å; A38-V81 CarbonylContact C-O 3.6Å; A38-V81 WeakPolarHBondContact CA-O 3.41Å; A38-V81 HydrophobicContact CB-CG2 3.76Å; A39-V81 PolarHBondContact N-O 2.79Å; V81-L104 HydrophobicContact CG2-CD2 4.19Å
82	N	95.1	Very high	90.9	Very high	55 Å²	55	40.9 Å²	40.9	29%	0.294	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.9	-174.8	62.4	54.5	0	0	0	113	A39 K43 W52	A39-N82 CarbonylContact O-C 3.59Å; A39-N82 VanDerWaalsContact O-CA 3.28Å; A39-N82 WeakPolarHBondContact O-CA 3.34Å; K43-N82 VanDerWaalsContact CE-OD1 3.23Å; K43-N82 WeakPolarHBondContact CE-OD1 3.18Å; K43-N82 PolarHBondContact NZ-OD1 3.29Å; W52-N82 HydrophobicContact CE3-CB 4.39Å; W52-N82 HydrophobicContact CH2-CB 3.37Å; W52-N82 HydrophobicContact CZ2-CB 3.69Å; W52-N82 VanDerWaalsContact CZ2-ND2 3.28Å; W52-N82 WeakPolarHBondContact CZ2-ND2 3.4Å; W52-N82 HydrophobicContact CZ3-CB 3.76Å
83	G	94.9	Very high	90.9	Very high	5 Å²	5	40.7 Å²	40.7	5%	0.052	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	159.4	176.9	0	0	0	0	0	111.4	A39 L41	A39-G83 PolarHBondContact O-N 3.36Å; L41-G83 PolarHBondContact N-O 2.98Å
84	N	95.4	Very high	90.9	Very high	46 Å²	46	44.6 Å²	44.6	25%	0.246	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.5	176.6	-165.3	5.4	0	0	0	110.6	K43 E86 V100	K43-N84 HydrophobicContact CB-CB 4.47Å; K43-N84 HydrophobicContact CD-CB 4.08Å; K43-N84 HydrophobicContact CG-CB 4.14Å; K43-N84 PolarHBondContact N-OD1 3.41Å; N84-E86 PolarHBondContact ND2-OE2 2.81Å; N84-E86 VanDerWaalsContact ND2-OE2 3.1Å; N84-E86 WeakPolarHBondContact OD1-CB 3.49Å; N84-E86 WeakPolarHBondContact OD1-CG 3.48Å; N84-E86 PolarHBondContact OD1-N 2.76Å; N84-E86 PolarHBondContact OD1-OE2 2.86Å; N84-V100 WeakPolarHBondContact O-CG2 3.22Å
85	S	93.1	Very high	91.2	Very high	1 Å²	1	44 Å²	44	1%	0.007	25%	0.248	C	C	.	.			trans	-88	-8.2	171.8	57.8	0	0	0	0	114	L41 P42 S93	L41-S85 PolarHBondContact O-N 3.45Å; P42-S85 WeakPolarHBondContact CA-OG 3.38Å; P42-S85 WeakPolarHBondContact CD-OG 3.45Å; P42-S85 WeakPolarHBondContact CG-OG 3.4Å; S85-S93 PolarHBondContact O-N 3.41Å
86	E	92.6	Very high	91.5	Very high	8 Å²	8	45.5 Å²	45.5	4%	0.037	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-82.7	145.9	-171.6	-61.1	155.6	-178.2	0	0	113.6	P42 K43 T44 N45 N84 Y91 M96	P42-E86 WeakPolarHBondContact CA-OE1 3.44Å; P42-E86 HydrophobicContact CB-CG 3.9Å; P42-E86 WeakPolarHBondContact CB-OE1 3.19Å; K43-E86 PolarHBondContact N-OE1 3.26Å; T44-E86 WeakPolarHBondContact CB-OE2 3.41Å; T44-E86 PolarHBondContact N-OE1 3.39Å; T44-E86 PolarHBondContact N-OE2 2.96Å; T44-E86 VanDerWaalsContact OG1-CD 3.26Å; T44-E86 PolarHBondContact OG1-OE1 3.1Å; T44-E86 PolarHBondContact OG1-OE2 2.87Å; N45-E86 PolarHBondContact N-OE1 3.33Å; N84-E86 PolarHBondContact ND2-OE2 2.81Å; N84-E86 VanDerWaalsContact ND2-OE2 3.1Å; N84-E86 WeakPolarHBondContact OD1-CB 3.49Å; N84-E86 WeakPolarHBondContact OD1-CG 3.48Å; N84-E86 PolarHBondContact OD1-N 2.76Å; N84-E86 PolarHBondContact OD1-OE2 2.86Å; E86-Y91 CarbonylContact C-O 3.51Å; E86-Y91 WeakPolarHBondContact CA-O 3.48Å; E86-M96 VanDerWaalsContact O-CG 3.29Å; E86-M96 WeakPolarHBondContact O-CG 3.38Å
87	N	89	Confident	91.7	Very high	26 Å²	26	45.3 Å²	45.3	14%	0.139	25%	0.245	C	C	.	.			trans	-78.4	-172.9	165.4	65.2	8.2	0	0	0	112.1	D89 G90 Y91 N191	N87-D89 PolarHBondContact O-N 3.05Å; N87-D89 WeakPolarHBondContact OD1-CA 3.18Å; N87-D89 PolarHBondContact OD1-N 3.37Å; N87-G90 PolarHBondContact O-N 3.32Å; N87-G90 PolarHBondContact OD1-N 3.22Å; N87-Y91 PolarHBondContact N-O 3.48Å; N87-Y91 PolarHBondContact OD1-N 2.93Å; N87-Y91 VanDerWaalsContact OD1-N 3.07Å; N87-Y91 PolarHBondContact OD1-O 3.28Å; N87-N191 PolarHBondContact ND2-ND2 3.45Å
88	T	85.8	Confident	91.9	Very high	137 Å²	137	42 Å²	42	84%	0.84	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-21.5	177.2	48.9	0	0	0	0	114.2
89	D	84	Confident	91.9	Very high	101 Å²	101	46.7 Å²	46.7	54%	0.54	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.6	-178.1	-52.3	-34.6	0	0	0	112.1	N87 Y91	N87-D89 PolarHBondContact O-N 3.05Å; N87-D89 WeakPolarHBondContact OD1-CA 3.18Å; N87-D89 PolarHBondContact OD1-N 3.37Å; D89-Y91 HydrophobicContact CB-CD2 3.93Å; D89-Y91 HydrophobicContact CB-CE2 4.35Å
90	G	85.4	Confident	92	Very high	16 Å²	16	43.1 Å²	43.1	17%	0.165	24%	0.241	C	C	.	.	S	Bend	trans	81.3	14.2	179.3	0	0	0	0	0	114.7	N45 N87	N45-G90 VanDerWaalsContact CB-O 3.25Å; N45-G90 WeakPolarHBondContact CB-O 3.42Å; N45-G90 PolarHBondContact ND2-O 3.45Å; N87-G90 PolarHBondContact O-N 3.32Å; N87-G90 PolarHBondContact OD1-N 3.22Å
91	Y	88.4	Confident	92	Very high	96 Å²	96	42.4 Å²	42.4	38%	0.376	24%	0.237	S	C	.	.	S	Bend	trans	-104.8	146.5	175.4	-63.3	-72.6	0	0	0	111.1	E86 N87 D89 S93	E86-Y91 CarbonylContact C-O 3.51Å; E86-Y91 WeakPolarHBondContact CA-O 3.48Å; N87-Y91 PolarHBondContact N-O 3.48Å; N87-Y91 PolarHBondContact OD1-N 2.93Å; N87-Y91 VanDerWaalsContact OD1-N 3.07Å; N87-Y91 PolarHBondContact OD1-O 3.28Å; D89-Y91 HydrophobicContact CB-CD2 3.93Å; D89-Y91 HydrophobicContact CB-CE2 4.35Å; Y91-S93 PolarHBondContact O-N 3.03Å
92	C	89.1	Confident	92	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.034	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-61.9	130.6	174.3	56.1	0	0	0	0	111	Y48 C118	Y48-C92 VanDerWaalsContact CZ-SG 3.54Å; Y48-C92 PolarHBondContact OH-SG 3Å; C92-C118 HydrophobicContact CB-CB 3.6Å; C92-C118 WeakPolarHBondContact CB-SG 3.46Å; C92-C118 WeakPolarHBondContact SG-CB 3.31Å; C92-C118 CovalentContact SG-SG 2.02Å; C92-C118 PolarHBondContact SG-SG 3.24Å
93	S	89.4	Confident	92.1	Very high	13 Å²	13	45.9 Å²	45.9	9%	0.091	26%	0.257	C	S	.	.			trans	-118.4	140.9	-169.9	171.9	0	0	0	0	111.8	S85 Y91 S95 M96 A97 S121	S85-S93 PolarHBondContact O-N 3.41Å; Y91-S93 PolarHBondContact O-N 3.03Å; S93-S95 PolarHBondContact O-N 3.07Å; S93-S95 PolarHBondContact OG-N 2.81Å; S93-M96 PolarHBondContact OG-N 3.2Å; S93-A97 WeakPolarHBondContact O-CB 3.11Å; S93-A97 PolarHBondContact O-N 3.31Å; S93-S121 PolarHBondContact N-OG 2.93Å; S93-S121 PolarHBondContact O-OG 3.26Å
94	D	89.6	Confident	92.2	Very high	87 Å²	87	46.4 Å²	46.4	47%	0.465	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.5	169.7	66.4	-13.7	0	0	0	113.2	P98 F120 P124	D94-P98 WeakPolarHBondContact O-CD 3.46Å; D94-P98 WeakPolarHBondContact O-CG 3.34Å; D94-F120 WeakPolarHBondContact CA-O 3.38Å; D94-F120 HydrophobicContact CB-CB 4.2Å; D94-F120 WeakPolarHBondContact CB-O 3.43Å; D94-P124 WeakPolarHBondContact O-CG 3.39Å
95	S	90.9	Very high	92.3	Very high	71 Å²	71	45.4 Å²	45.4	50%	0.497	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-43.5	-176.3	-60	0	0	0	0	111.2	S93 P98 L99	S93-S95 PolarHBondContact O-N 3.07Å; S93-S95 PolarHBondContact OG-N 2.81Å; S95-P98 WeakPolarHBondContact O-CD 3.19Å; S95-P98 WeakPolarHBondContact O-CG 3.17Å; S95-L99 VanDerWaalsContact O-CG 3.3Å; S95-L99 WeakPolarHBondContact O-CG 3.2Å
96	M	92.4	Very high	92.4	Very high	69 Å²	69	52.1 Å²	52.1	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-72.8	-45	-178.5	-169.5	60.2	65.2	0	0	112.8	E86 S93 L99 V100	E86-M96 VanDerWaalsContact O-CG 3.29Å; E86-M96 WeakPolarHBondContact O-CG 3.38Å; S93-M96 PolarHBondContact OG-N 3.2Å; M96-L99 PolarHBondContact O-N 2.85Å; M96-L99 VanDerWaalsContact O-N 3.16Å; M96-V100 HydrophobicContact CG-CG2 4.18Å; M96-V100 WeakPolarHBondContact O-CG2 2.97Å; M96-V100 PolarHBondContact O-N 2.87Å; M96-V100 HydrophobicContact SD-CG2 4.19Å
97	A	94.3	Very high	92.6	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-55.4	-46.7	-178.1	0	0	0	0	0	114.1	I40 S93 V100 A101 P116 V125	I40-A97 HydrophobicContact CG2-CB 4.43Å; S93-A97 WeakPolarHBondContact O-CB 3.11Å; S93-A97 PolarHBondContact O-N 3.31Å; A97-V100 PolarHBondContact O-N 3.16Å; A97-A101 WeakPolarHBondContact O-CB 3.37Å; A97-A101 PolarHBondContact O-N 2.96Å; A97-P116 HydrophobicContact CB-CG 4.22Å; A97-V125 HydrophobicContact CB-CG2 4.09Å
98	P	96	Very high	92.9	Very high	13 Å²	13	58.1 Å²	58.1	8%	0.084	33%	0.326	C	S	.	.	H	α-helix	trans	-68.8	-33.1	176.4	25.9	-34.5	0	0	0	113.8	D94 S95 V100 A101 V102 P124 V125 F128	D94-P98 WeakPolarHBondContact O-CD 3.46Å; D94-P98 WeakPolarHBondContact O-CG 3.34Å; S95-P98 WeakPolarHBondContact O-CD 3.19Å; S95-P98 WeakPolarHBondContact O-CG 3.17Å; P98-V100 VanDerWaalsContact C-N 3.35Å; P98-A101 WeakPolarHBondContact O-CB 3.47Å; P98-A101 PolarHBondContact O-N 3.46Å; P98-V102 WeakPolarHBondContact O-CG2 3.34Å; P98-V102 PolarHBondContact O-N 3.02Å; P98-P124 HydrophobicContact CB-CB 4.02Å; P98-P124 HydrophobicContact CB-CG 4.31Å; P98-P124 HydrophobicContact CG-CB 3.95Å; P98-P124 HydrophobicContact CG-CG 3.91Å; P98-V125 HydrophobicContact CB-CG2 4.38Å; P98-F128 HydrophobicContact CB-CD2 3.98Å; P98-F128 HydrophobicContact CB-CE2 3.76Å
99	L	96.1	Very high	93.3	Very high	104 Å²	104	55.1 Å²	55.1	55%	0.545	31%	0.305	S	S	.	.	H	α-helix	trans	-61.1	-47.7	174.4	-69.4	173.7	0	0	0	110.5	S95 M96 A101 V102 D103	S95-L99 VanDerWaalsContact O-CG 3.3Å; S95-L99 WeakPolarHBondContact O-CG 3.2Å; M96-L99 PolarHBondContact O-N 2.85Å; M96-L99 VanDerWaalsContact O-N 3.16Å; L99-A101 VanDerWaalsContact C-N 3.3Å; L99-A101 PolarHBondContact O-N 3Å; L99-V102 PolarHBondContact O-N 2.79Å; L99-D103 PolarHBondContact O-N 2.89Å
100	V	96.4	Very high	93.9	Very high	22 Å²	22	50.3 Å²	50.3	13%	0.133	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-36	175.9	173.7	0	0	0	0	111.7	I40 N84 M96 A97 P98 D103 L104	I40-V100 HydrophobicContact CG2-CG1 4.46Å; N84-V100 WeakPolarHBondContact O-CG2 3.22Å; M96-V100 HydrophobicContact CG-CG2 4.18Å; M96-V100 WeakPolarHBondContact O-CG2 2.97Å; M96-V100 PolarHBondContact O-N 2.87Å; M96-V100 HydrophobicContact SD-CG2 4.19Å; A97-V100 PolarHBondContact O-N 3.16Å; P98-V100 VanDerWaalsContact C-N 3.35Å; V100-D103 PolarHBondContact O-N 2.92Å; V100-L104 HydrophobicContact CG1-CD1 3.99Å; V100-L104 HydrophobicContact CG1-CG 4.3Å; V100-L104 WeakPolarHBondContact O-CB 3.43Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.48Å; V100-L104 PolarHBondContact O-N 2.82Å
101	A	97.1	Very high	94.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-43	173.8	0	0	0	0	0	112.2	I40 A97 P98 L99 K105 F113 V125	I40-A101 HydrophobicContact CD1-CB 3.48Å; I40-A101 VanDerWaalsContact CD1-CB 3.48Å; A97-A101 WeakPolarHBondContact O-CB 3.37Å; A97-A101 PolarHBondContact O-N 2.96Å; P98-A101 WeakPolarHBondContact O-CB 3.47Å; P98-A101 PolarHBondContact O-N 3.46Å; L99-A101 VanDerWaalsContact C-N 3.3Å; L99-A101 PolarHBondContact O-N 3Å; A101-K105 VanDerWaalsContact O-CB 3.27Å; A101-K105 WeakPolarHBondContact O-CB 3.49Å; A101-K105 PolarHBondContact O-N 2.88Å; A101-F113 HydrophobicContact CB-CE1 4.26Å; A101-V125 HydrophobicContact CB-CG1 4.06Å; A101-V125 HydrophobicContact CB-CG2 4.06Å
102	V	97.7	Very high	94.8	Very high	42 Å²	42	46.3 Å²	46.3	26%	0.255	26%	0.258	S	S	.	.	H	α-helix	trans	-64.6	-44.9	175.6	173.5	0	0	0	0	110.8	P98 L99 L104 K105 L106 F128 W132	P98-V102 WeakPolarHBondContact O-CG2 3.34Å; P98-V102 PolarHBondContact O-N 3.02Å; L99-V102 PolarHBondContact O-N 2.79Å; V102-L104 PolarHBondContact O-N 2.89Å; V102-K105 WeakPolarHBondContact O-CB 3.44Å; V102-K105 PolarHBondContact O-N 3.06Å; V102-K105 VanDerWaalsContact O-N 3.16Å; V102-L106 HydrophobicContact CG1-CD1 3.88Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.31Å; V102-L106 PolarHBondContact O-N 3.08Å; V102-F128 HydrophobicContact CG2-CD1 4.44Å; V102-F128 HydrophobicContact CG2-CE1 4.21Å; V102-F128 HydrophobicContact CG2-CZ 4.27Å; V102-W132 HydrophobicContact CB-CH2 4.45Å; V102-W132 HydrophobicContact CG2-CH2 3.84Å; V102-W132 HydrophobicContact CG2-CZ2 3.93Å
103	D	97.1	Very high	95.2	Very high	102 Å²	102	46 Å²	46	55%	0.545	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-47	178.7	-71.9	-18.7	0	0	0	111.6	L99 V100 K105 L106 A107	L99-D103 PolarHBondContact O-N 2.89Å; V100-D103 PolarHBondContact O-N 2.92Å; D103-K105 VanDerWaalsContact C-N 3.3Å; D103-K105 PolarHBondContact O-N 3.02Å; D103-L106 PolarHBondContact O-N 2.75Å; D103-A107 VanDerWaalsContact O-CB 3.23Å; D103-A107 WeakPolarHBondContact O-CB 3.36Å; D103-A107 PolarHBondContact O-N 3Å
104	L	96.9	Very high	95.6	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.079	25%	0.252	C	S	.	.	H	α-helix	trans	-63.9	-37	175.7	-69.8	174.7	0	0	0	111.6	A38 I40 V81 V100 V102 H108 F113	A38-L104 HydrophobicContact CB-CB 4.37Å; A38-L104 HydrophobicContact CB-CD1 4.15Å; I40-L104 HydrophobicContact CD1-CD1 4.31Å; I40-L104 HydrophobicContact CG1-CD1 3.86Å; V81-L104 HydrophobicContact CG2-CD2 4.19Å; V100-L104 HydrophobicContact CG1-CD1 3.99Å; V100-L104 HydrophobicContact CG1-CG 4.3Å; V100-L104 WeakPolarHBondContact O-CB 3.43Å; V100-L104 VanDerWaalsContact O-CG 3.28Å; V100-L104 WeakPolarHBondContact O-CG 3.48Å; V100-L104 PolarHBondContact O-N 2.82Å; V102-L104 PolarHBondContact O-N 2.89Å; L104-H108 PolarHBondContact O-N 2.93Å; L104-F113 HydrophobicContact CB-CE1 4.32Å
105	K	96.8	Very high	95.8	Very high	26 Å²	26	41.4 Å²	41.4	11%	0.113	23%	0.23	C	C	.	.	H	α-helix	trans	-63.5	-44.3	176.7	-174.8	54.5	169	170.8	0	111.8	A101 V102 D103 D109 F113 W132	A101-K105 VanDerWaalsContact O-CB 3.27Å; A101-K105 WeakPolarHBondContact O-CB 3.49Å; A101-K105 PolarHBondContact O-N 2.88Å; V102-K105 WeakPolarHBondContact O-CB 3.44Å; V102-K105 PolarHBondContact O-N 3.06Å; V102-K105 VanDerWaalsContact O-N 3.16Å; D103-K105 VanDerWaalsContact C-N 3.3Å; D103-K105 PolarHBondContact O-N 3.02Å; K105-D109 IonicContact NZ-OD1 2.8Å; K105-D109 PolarHBondContact NZ-OD1 3.06Å; K105-D109 WeakPolarHBondContact O-CA 3.4Å; K105-D109 PolarHBondContact O-N 3.36Å; K105-D109 VanDerWaalsContact O-N 3.15Å; K105-F113 HydrophobicContact CB-CZ 4.29Å; K105-W132 HydrophobicContact CB-CE3 4.31Å; K105-W132 HydrophobicContact CB-CH2 3.86Å; K105-W132 HydrophobicContact CB-CZ2 4.3Å; K105-W132 HydrophobicContact CB-CZ3 3.86Å; K105-W132 HydrophobicContact CD-CD2 4.38Å; K105-W132 HydrophobicContact CD-CE3 4.18Å; K105-W132 HydrophobicContact CG-CD2 3.96Å; K105-W132 HydrophobicContact CG-CE3 3.9Å; K105-W132 HydrophobicContact CG-CH2 4.09Å; K105-W132 HydrophobicContact CG-CZ2 4.15Å; K105-W132 HydrophobicContact CG-CZ3 3.96Å
106	L	96.3	Very high	96.1	Very high	141 Å²	141	38 Å²	38	74%	0.738	21%	0.207	S	C	*	.	H	α-helix	trans	-73.9	-37.8	-179.6	-67.5	174.6	0	0	0	112.6	V102 D103	V102-L106 HydrophobicContact CG1-CD1 3.88Å; V102-L106 HydrophobicContact CG1-CG 4.34Å; V102-L106 WeakPolarHBondContact O-CG 3.31Å; V102-L106 PolarHBondContact O-N 3.08Å; D103-L106 PolarHBondContact O-N 2.75Å
107	A	95.8	Very high	96	Very high	70 Å²	70	34.7 Å²	34.7	58%	0.579	19%	0.191	S	C	*	.	H	α-helix	trans	-79.5	-35.4	-175.8	0	0	0	0	0	113.7	D103	D103-A107 VanDerWaalsContact O-CB 3.23Å; D103-A107 WeakPolarHBondContact O-CB 3.36Å; D103-A107 PolarHBondContact O-N 3Å
108	H	94.8	Very high	96	Very high	90 Å²	90	34.8 Å²	34.8	42%	0.417	19%	0.191	S	C	.	.	H	α-helix	trans	-127.3	-9.1	-167.9	-59.5	-63.8	0	0	0	115.4	T36 L104	T36-H108 HydrophobicContact CG2-CB 4.11Å; L104-H108 PolarHBondContact O-N 2.93Å
109	D	95	Very high	95.8	Very high	75 Å²	75	34.3 Å²	34.3	40%	0.401	19%	0.188	S	C	.	.			trans	39.7	60.8	-173.9	-169.9	30.2	0	0	0	114.1	K105 R376	K105-D109 IonicContact NZ-OD1 2.8Å; K105-D109 PolarHBondContact NZ-OD1 3.06Å; K105-D109 WeakPolarHBondContact O-CA 3.4Å; K105-D109 PolarHBondContact O-N 3.36Å; K105-D109 VanDerWaalsContact O-N 3.15Å; D109-R376 VanDerWaalsContact CG-NH1 3.31Å; D109-R376 IonicContact OD1-CZ 2.63Å; D109-R376 IonicContact OD1-NH1 2.81Å; D109-R376 PolarHBondContact OD1-NH1 2.85Å; D109-R376 IonicContact OD1-NH2 3.89Å; D109-R376 IonicContact OD2-CZ 2.96Å; D109-R376 IonicContact OD2-NH1 3.57Å; D109-R376 PolarHBondContact OD2-NH1 2.86Å; D109-R376 IonicContact OD2-NH2 3.92Å
110	P	96	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.			trans	-63.7	151.4	-174.9	29.3	-35.8	0	0	0	112.4	T36 A38 F113	T36-P110 HydrophobicContact CG2-CB 4.4Å; T36-P110 CarbonylContact O-C 3.47Å; T36-P110 WeakPolarHBondContact O-CA 3.34Å; A38-P110 HydrophobicContact CB-CB 3.64Å; A38-P110 HydrophobicContact CB-CG 3.7Å; P110-F113 HydrophobicContact CG-CD2 4.35Å; P110-F113 HydrophobicContact CG-CE1 4.23Å; P110-F113 HydrophobicContact CG-CE2 3.65Å; P110-F113 HydrophobicContact CG-CZ 3.58Å
111	W	96.2	Very high	95.4	Very high	27 Å²	27	31.9 Å²	31.9	10%	0.102	17%	0.171	C	C	.	.	S	Bend	trans	-88.3	-17	177.9	-74.4	35	0	0	0	113.1	V35 T36 P135 Y356 L360 I374 R376	V35-W111 HydrophobicContact CB-CD2 4.49Å; V35-W111 HydrophobicContact CG1-CB 3.76Å; V35-W111 HydrophobicContact CG1-CD2 3.58Å; V35-W111 HydrophobicContact CG1-CE3 3.7Å; V35-W111 HydrophobicContact CG1-CG 3.63Å; V35-W111 HydrophobicContact CG1-CZ3 4.46Å; V35-W111 HydrophobicContact CG2-CD2 4.21Å; V35-W111 HydrophobicContact CG2-CE3 4.09Å; V35-W111 HydrophobicContact CG2-CH2 4.13Å; V35-W111 HydrophobicContact CG2-CZ2 4.24Å; V35-W111 HydrophobicContact CG2-CZ3 4.05Å; T36-W111 PolarHBondContact O-N 3.14Å; W111-P135 WeakPolarHBondContact O-CD 3.46Å; W111-Y356 PolarHBondContact O-OH 3.49Å; W111-L360 HydrophobicContact CE3-CD1 4.41Å; W111-L360 HydrophobicContact CE3-CD2 4.35Å; W111-L360 HydrophobicContact CZ3-CD1 4.44Å; W111-I374 HydrophobicContact CH2-CG2 4.49Å; W111-R376 HydrophobicContact CD2-CB 3.98Å; W111-R376 HydrophobicContact CD2-CG 3.7Å; W111-R376 HydrophobicContact CE3-CB 4.34Å; W111-R376 HydrophobicContact CE3-CG 4.04Å; W111-R376 HydrophobicContact CG-CG 4Å; W111-R376 HydrophobicContact CH2-CB 4.06Å; W111-R376 HydrophobicContact CZ2-CB 3.66Å; W111-R376 HydrophobicContact CZ2-CG 4.33Å; W111-R376 HydrophobicContact CZ3-CB 4.37Å; W111-R376 HydrophobicContact CZ3-CG 4.5Å
112	A	96.8	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	153.7	170.4	0	0	0	0	0	110.6	I37 A38 P135 Y356	I37-A112 HydrophobicContact CG2-CB 4.42Å; A38-A112 PolarHBondContact N-O 3.41Å; A112-P135 CarbonylContact C-O 3.51Å; A112-P135 VanDerWaalsContact CA-O 3.32Å; A112-P135 WeakPolarHBondContact CA-O 3.41Å; A112-Y356 HydrophobicContact CB-CD2 4.19Å; A112-Y356 HydrophobicContact CB-CE1 4.02Å; A112-Y356 HydrophobicContact CB-CE2 3.6Å
113	F	97.6	Very high	95.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	140.5	168	-78.3	-91.4	0	0	0	110.8	A38 I40 A101 L104 K105 P110 T129 W132 V134 P135 M136 V137	A38-F113 HydrophobicContact CB-CD1 3.77Å; A38-F113 HydrophobicContact CB-CE1 3.71Å; A38-F113 HydrophobicContact CB-CG 4.46Å; A38-F113 HydrophobicContact CB-CZ 4.37Å; A38-F113 CarbonylContact O-C 3.09Å; A38-F113 WeakPolarHBondContact O-CA 3.42Å; I40-F113 HydrophobicContact CD1-CD1 3.77Å; I40-F113 HydrophobicContact CD1-CE1 3.85Å; I40-F113 HydrophobicContact CG1-CD1 4.26Å; A101-F113 HydrophobicContact CB-CE1 4.26Å; L104-F113 HydrophobicContact CB-CE1 4.32Å; K105-F113 HydrophobicContact CB-CZ 4.29Å; P110-F113 HydrophobicContact CG-CD2 4.35Å; P110-F113 HydrophobicContact CG-CE1 4.23Å; P110-F113 HydrophobicContact CG-CE2 3.65Å; P110-F113 HydrophobicContact CG-CZ 3.58Å; F113-T129 HydrophobicContact CB-CG2 4.2Å; F113-T129 HydrophobicContact CD2-CG2 3.59Å; F113-T129 HydrophobicContact CE2-CG2 4.17Å; F113-T129 HydrophobicContact CG-CG2 3.99Å; F113-W132 HydrophobicContact CE2-CE3 4.21Å; F113-W132 HydrophobicContact CE2-CZ3 4.1Å; F113-W132 HydrophobicContact CZ-CZ3 4.12Å; F113-V134 HydrophobicContact CD2-CG1 3.8Å; F113-V134 HydrophobicContact CE2-CG1 4.18Å; F113-P135 PolarHBondContact N-O 3.07Å; F113-M136 HydrophobicContact CB-CG 4.5Å; F113-M136 CarbonylContact O-C 3.52Å; F113-M136 WeakPolarHBondContact O-CA 2.96Å; F113-V137 PolarHBondContact O-N 2.99Å
114	I	97.7	Very high	94.9	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	121.9	173.7	-53.8	-62	0	0	0	109	I37 A38 A39 I40 L59 V137 F349 V353	I37-I114 HydrophobicContact CG2-CD1 3.96Å; I37-I114 HydrophobicContact CG2-CG1 3.37Å; A38-I114 PolarHBondContact O-N 2.9Å; A39-I114 CarbonylContact C-O 3.48Å; A39-I114 VanDerWaalsContact CA-O 3.25Å; A39-I114 WeakPolarHBondContact CA-O 3.5Å; A39-I114 HydrophobicContact CB-CB 4.09Å; I40-I114 PolarHBondContact N-O 3.25Å; L59-I114 HydrophobicContact CD1-CG2 4.19Å; L59-I114 HydrophobicContact CD2-CG2 3.9Å; I114-V137 CarbonylContact C-O 3.17Å; I114-V137 VanDerWaalsContact CA-O 3.26Å; I114-V137 WeakPolarHBondContact CA-O 3.36Å; I114-V137 HydrophobicContact CD1-CB 3.94Å; I114-F349 HydrophobicContact CG2-CD1 3.56Å; I114-F349 HydrophobicContact CG2-CE1 3.71Å; I114-V353 HydrophobicContact CD1-CG2 4.1Å
115	G	94.4	Very high	94.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.145	C	C	.	.			trans	71.3	-173.3	-166.7	0	0	0	0	0	112.3	M136 V137	G115-M136 WeakPolarHBondContact O-CE 3.42Å; G115-V137 PolarHBondContact N-O 3.22Å
116	P	95.9	Very high	94.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.			cis	-67.2	166.4	6.9	-19.5	32.1	0	0	0	115.6	I40 A97 S122 V125 T138	I40-P116 HydrophobicContact CB-CG 4.2Å; I40-P116 HydrophobicContact CG2-CG 4.09Å; I40-P116 VanDerWaalsContact O-CA 3.22Å; I40-P116 WeakPolarHBondContact O-CA 3.43Å; A97-P116 HydrophobicContact CB-CG 4.22Å; P116-S122 VanDerWaalsContact C-OG 3.24Å; P116-S122 PolarHBondContact O-OG 3.28Å; P116-V125 HydrophobicContact CG-CB 4.15Å; P116-V125 HydrophobicContact CG-CG1 4.42Å; P116-V125 HydrophobicContact CG-CG2 3.83Å; P116-T138 PolarHBondContact O-OG1 2.63Å
117	G	91.9	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.			trans	-94.5	-34	175.6	0	0	0	0	0	113.6	G140 A141	G117-G140 CarbonylContact O-C 3.59Å; G117-G140 WeakPolarHBondContact O-CA 3.42Å; G117-A141 PolarHBondContact O-N 3.45Å
118	C	93.5	Very high	94.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	12%	0.117	C	C	.	.	S	Bend	trans	-70.9	147.3	179.5	-71.6	0	0	0	0	112.7	Y48 W50 C92 S122 D193	Y48-C118 VanDerWaalsContact CE1-SG 3.57Å; W50-C118 HydrophobicContact CZ2-CB 4.32Å; W50-C118 PolarHBondContact NE1-SG 2.8Å; C92-C118 HydrophobicContact CB-CB 3.6Å; C92-C118 WeakPolarHBondContact CB-SG 3.46Å; C92-C118 WeakPolarHBondContact SG-CB 3.31Å; C92-C118 CovalentContact SG-SG 2.02Å; C92-C118 PolarHBondContact SG-SG 3.24Å; C118-S122 WeakPolarHBondContact O-CB 3.37Å; C118-S122 PolarHBondContact O-N 2.74Å; C118-S122 PolarHBondContact O-OG 3.18Å; C118-D193 WeakPolarHBondContact CA-OD2 3.32Å; C118-D193 WeakPolarHBondContact CB-OD2 3.26Å; C118-D193 PolarHBondContact SG-OD2 3.29Å; C118-D193 VanDerWaalsContact SG-OD2 3.33Å
119	E	91.8	Very high	94.7	Very high	4 Å²	4	21 Å²	21	2%	0.019	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-48.6	-180	-70.7	86.5	-150.8	0	0	111.6	S122 S123 R142 A143 D193 F198	E119-S122 PolarHBondContact O-N 3.43Å; E119-S123 PolarHBondContact O-N 3.42Å; E119-R142 IonicContact OE1-CZ 3.82Å; E119-R142 IonicContact OE1-NE 3.2Å; E119-R142 PolarHBondContact OE1-NE 3.01Å; E119-R142 IonicContact OE1-NH2 3.27Å; E119-R142 PolarHBondContact OE1-NH2 3.09Å; E119-R142 VanDerWaalsContact OE1-NH2 3.16Å; E119-R142 IonicContact OE2-NH2 2.78Å; E119-A143 HydrophobicContact CG-CB 3.98Å; E119-D193 VanDerWaalsContact N-CG 3.35Å; E119-D193 PolarHBondContact N-OD1 3.26Å; E119-D193 PolarHBondContact N-OD2 3.25Å; E119-D193 VanDerWaalsContact N-OD2 3.08Å; E119-F198 HydrophobicContact CB-CD2 3.99Å; E119-F198 HydrophobicContact CB-CE2 3.8Å; E119-F198 HydrophobicContact CB-CZ 4.35Å; E119-F198 HydrophobicContact CG-CD2 3.91Å; E119-F198 HydrophobicContact CG-CE2 4.25Å; E119-F198 HydrophobicContact CG-CG 4.3Å
120	F	91.2	Very high	94.6	Very high	74 Å²	74	19.7 Å²	19.7	33%	0.325	9%	0.092	S	C	.	.	H	α-helix	trans	-70.3	-34.6	-178.8	-74.6	-56.8	0	0	0	113.8	D94 P124 S192 D193 R194 F198	D94-F120 WeakPolarHBondContact CA-O 3.38Å; D94-F120 HydrophobicContact CB-CB 4.2Å; D94-F120 WeakPolarHBondContact CB-O 3.43Å; F120-P124 WeakPolarHBondContact O-CD 3.33Å; F120-S192 WeakPolarHBondContact CE2-O 3.19Å; F120-D193 PolarHBondContact N-OD1 3.24Å; F120-D193 VanDerWaalsContact N-OD1 3.08Å; F120-R194 HydrophobicContact CE2-CB 4.45Å; F120-R194 HydrophobicContact CE2-CG 4.27Å; F120-F198 HydrophobicContact CE1-CZ 4.12Å; F120-F198 HydrophobicContact CE2-CE2 4.06Å; F120-F198 HydrophobicContact CE2-CZ 4.44Å; F120-F198 AromaticContact CZ-CE2 3.99Å; F120-F198 HydrophobicContact CZ-CE2 3.99Å; F120-F198 AromaticContact CZ-CZ 3.91Å; F120-F198 HydrophobicContact CZ-CZ 3.91Å
121	S	93.1	Very high	94.5	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-71.8	-37.5	174.6	-65.8	0	0	0	0	112.6	S93 P124 V125	S93-S121 PolarHBondContact N-OG 2.93Å; S93-S121 PolarHBondContact O-OG 3.26Å; S121-P124 WeakPolarHBondContact O-CD 3.16Å; S121-P124 WeakPolarHBondContact O-CG 3.26Å; S121-V125 WeakPolarHBondContact O-CG2 3.36Å
122	S	94.4	Very high	94.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.8	-36.2	-175.9	-63.5	0	0	0	0	112.8	P116 C118 E119 V125 A126 F146	P116-S122 VanDerWaalsContact C-OG 3.24Å; P116-S122 PolarHBondContact O-OG 3.28Å; C118-S122 WeakPolarHBondContact O-CB 3.37Å; C118-S122 PolarHBondContact O-N 2.74Å; C118-S122 PolarHBondContact O-OG 3.18Å; E119-S122 PolarHBondContact O-N 3.43Å; S122-V125 PolarHBondContact O-N 3.24Å; S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 3.19Å; S122-F146 VanDerWaalsContact CB-CZ 3.47Å
123	S	93.3	Very high	94.2	Very high	32 Å²	32	31.8 Å²	31.8	22%	0.224	15%	0.148	C	C	.	.	H	α-helix	trans	-55.1	-52.5	-177.8	-176.7	0	0	0	0	114.3	E119 R127	E119-S123 PolarHBondContact O-N 3.42Å; S123-R127 PolarHBondContact O-N 3.36Å; S123-R127 PolarHBondContact OG-NH1 3.2Å
124	P	94.4	Very high	94.1	Very high	17 Å²	17	31.8 Å²	31.8	11%	0.11	15%	0.149	C	C	.	.	H	α-helix	trans	-70.7	-36	176.2	28.3	-34.8	0	0	0	112.9	D94 P98 F120 S121 R127 F128	D94-P124 WeakPolarHBondContact O-CG 3.39Å; P98-P124 HydrophobicContact CB-CB 4.02Å; P98-P124 HydrophobicContact CB-CG 4.31Å; P98-P124 HydrophobicContact CG-CB 3.95Å; P98-P124 HydrophobicContact CG-CG 3.91Å; F120-P124 WeakPolarHBondContact O-CD 3.33Å; S121-P124 WeakPolarHBondContact O-CD 3.16Å; S121-P124 WeakPolarHBondContact O-CG 3.26Å; P124-R127 WeakPolarHBondContact O-CB 3.37Å; P124-R127 PolarHBondContact O-N 3.16Å; P124-F128 VanDerWaalsContact O-CD2 3.24Å; P124-F128 WeakPolarHBondContact O-CD2 3.39Å; P124-F128 PolarHBondContact O-N 2.9Å
125	V	95.4	Very high	94.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-42.9	177.8	178.2	0	0	0	0	111.1	I40 A97 P98 A101 P116 S121 S122 R127 F128 T129 M136	I40-V125 HydrophobicContact CD1-CG1 4.48Å; A97-V125 HydrophobicContact CB-CG2 4.09Å; P98-V125 HydrophobicContact CB-CG2 4.38Å; A101-V125 HydrophobicContact CB-CG1 4.06Å; A101-V125 HydrophobicContact CB-CG2 4.06Å; P116-V125 HydrophobicContact CG-CB 4.15Å; P116-V125 HydrophobicContact CG-CG1 4.42Å; P116-V125 HydrophobicContact CG-CG2 3.83Å; S121-V125 WeakPolarHBondContact O-CG2 3.36Å; S122-V125 PolarHBondContact O-N 3.24Å; V125-R127 VanDerWaalsContact C-N 3.26Å; V125-R127 PolarHBondContact O-N 2.99Å; V125-F128 PolarHBondContact O-N 2.98Å; V125-T129 HydrophobicContact CG1-CG2 4.09Å; V125-T129 WeakPolarHBondContact O-CG2 3.24Å; V125-T129 PolarHBondContact O-N 3.16Å; V125-T129 PolarHBondContact O-OG1 2.79Å; V125-M136 HydrophobicContact CG1-SD 4.12Å
126	A	94.9	Very high	94.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-36.7	175.4	0	0	0	0	0	112.7	S122 T129 T130 M136 F146 Y149 V152	S122-A126 WeakPolarHBondContact O-CB 3.38Å; S122-A126 PolarHBondContact O-N 3.19Å; A126-T129 WeakPolarHBondContact CA-OG1 3.33Å; A126-T129 PolarHBondContact O-OG1 2.61Å; A126-T129 VanDerWaalsContact O-OG1 3.09Å; A126-T130 VanDerWaalsContact O-CB 3.27Å; A126-T130 WeakPolarHBondContact O-CB 3.37Å; A126-T130 PolarHBondContact O-N 3.28Å; A126-T130 PolarHBondContact O-OG1 3.47Å; A126-M136 HydrophobicContact CB-SD 4.1Å; A126-F146 HydrophobicContact CB-CD1 4.35Å; A126-F146 HydrophobicContact CB-CE1 4.25Å; A126-Y149 HydrophobicContact CB-CD1 4.39Å; A126-Y149 HydrophobicContact CB-CD2 3.97Å; A126-Y149 HydrophobicContact CB-CE2 4.29Å; A126-Y149 HydrophobicContact CB-CG 4.02Å; A126-V152 HydrophobicContact CB-CG2 3.64Å
127	R	94.7	Very high	94.2	Very high	133 Å²	133	32 Å²	32	50%	0.502	15%	0.15	S	C	.	.	H	α-helix	trans	-64.3	-44.6	174.1	-76.2	-173.4	-77.4	-105.2	5.6	111.8	S123 P124 V125 H131 Y149	S123-R127 PolarHBondContact O-N 3.36Å; S123-R127 PolarHBondContact OG-NH1 3.2Å; P124-R127 WeakPolarHBondContact O-CB 3.37Å; P124-R127 PolarHBondContact O-N 3.16Å; V125-R127 VanDerWaalsContact C-N 3.26Å; V125-R127 PolarHBondContact O-N 2.99Å; R127-H131 WeakPolarHBondContact O-CB 3.44Å; R127-H131 PolarHBondContact O-N 3Å; R127-Y149 HydrophobicContact CG-CD1 4.37Å; R127-Y149 HydrophobicContact CG-CE1 3.49Å; R127-Y149 VanDerWaalsContact CG-CE1 3.49Å; R127-Y149 PolarHBondContact NH1-OH 3.35Å
128	F	95.5	Very high	94.4	Very high	76 Å²	76	32 Å²	32	33%	0.333	15%	0.15	S	C	.	.	H	α-helix	trans	-66.4	-46.3	177.7	-81.1	-68	0	0	0	112.6	P98 V102 P124 V125 T130 H131 W132	P98-F128 HydrophobicContact CB-CD2 3.98Å; P98-F128 HydrophobicContact CB-CE2 3.76Å; V102-F128 HydrophobicContact CG2-CD1 4.44Å; V102-F128 HydrophobicContact CG2-CE1 4.21Å; V102-F128 HydrophobicContact CG2-CZ 4.27Å; P124-F128 VanDerWaalsContact O-CD2 3.24Å; P124-F128 WeakPolarHBondContact O-CD2 3.39Å; P124-F128 PolarHBondContact O-N 2.9Å; V125-F128 PolarHBondContact O-N 2.98Å; F128-T130 VanDerWaalsContact C-N 3.34Å; F128-T130 PolarHBondContact O-N 2.87Å; F128-H131 WeakPolarHBondContact O-CB 3.49Å; F128-H131 PolarHBondContact O-N 2.85Å; F128-H131 VanDerWaalsContact O-N 3.11Å; F128-W132 HydrophobicContact CB-CD2 4.3Å; F128-W132 HydrophobicContact CB-CE3 4.04Å; F128-W132 HydrophobicContact CB-CH2 3.62Å; F128-W132 HydrophobicContact CB-CZ2 3.88Å; F128-W132 HydrophobicContact CB-CZ3 3.71Å; F128-W132 AromaticContact CD1-CH2 4Å; F128-W132 HydrophobicContact CD1-CH2 4Å; F128-W132 AromaticContact CD1-CZ2 3.53Å; F128-W132 HydrophobicContact CD1-CZ2 3.53Å; F128-W132 HydrophobicContact CE1-CZ2 4.36Å; F128-W132 AromaticContact CG-CH2 3.94Å; F128-W132 HydrophobicContact CG-CH2 3.94Å; F128-W132 AromaticContact CG-CZ2 3.96Å; F128-W132 HydrophobicContact CG-CZ2 3.96Å; F128-W132 VanDerWaalsContact O-CG 3.22Å; F128-W132 PolarHBondContact O-N 2.71Å
129	T	94.4	Very high	94.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-64.5	-39.5	-179.7	55.4	0	0	0	0	111.8	F113 V125 A126 H131 W132 D133 V134 M136	F113-T129 HydrophobicContact CB-CG2 4.2Å; F113-T129 HydrophobicContact CD2-CG2 3.59Å; F113-T129 HydrophobicContact CE2-CG2 4.17Å; F113-T129 HydrophobicContact CG-CG2 3.99Å; V125-T129 HydrophobicContact CG1-CG2 4.09Å; V125-T129 WeakPolarHBondContact O-CG2 3.24Å; V125-T129 PolarHBondContact O-N 3.16Å; V125-T129 PolarHBondContact O-OG1 2.79Å; A126-T129 WeakPolarHBondContact CA-OG1 3.33Å; A126-T129 PolarHBondContact O-OG1 2.61Å; A126-T129 VanDerWaalsContact O-OG1 3.09Å; T129-H131 PolarHBondContact O-N 3.21Å; T129-W132 PolarHBondContact O-N 2.98Å; T129-D133 PolarHBondContact O-N 3.3Å; T129-D133 VanDerWaalsContact O-N 3.14Å; T129-V134 WeakPolarHBondContact CB-O 3.37Å; T129-V134 PolarHBondContact O-N 2.7Å; T129-M136 HydrophobicContact CG2-CB 4.25Å
130	T	93.1	Very high	94.5	Very high	48 Å²	48	31.8 Å²	31.8	29%	0.294	15%	0.149	S	C	.	.	H	α-helix	trans	-61	-42.8	171	-57	0	0	0	0	111.6	A126 F128 W132 D133 A150	A126-T130 VanDerWaalsContact O-CB 3.27Å; A126-T130 WeakPolarHBondContact O-CB 3.37Å; A126-T130 PolarHBondContact O-N 3.28Å; A126-T130 PolarHBondContact O-OG1 3.47Å; F128-T130 VanDerWaalsContact C-N 3.34Å; F128-T130 PolarHBondContact O-N 2.87Å; T130-W132 VanDerWaalsContact C-N 3.34Å; T130-W132 PolarHBondContact O-N 2.97Å; T130-D133 PolarHBondContact O-N 3.24Å; T130-A150 HydrophobicContact CG2-CB 4.46Å
131	H	93.9	Very high	94.6	Very high	153 Å²	153	28.3 Å²	28.3	71%	0.708	13%	0.134	S	C	*	.	H	α-helix	trans	-65.2	-36.6	176.9	178.5	68.2	0	0	0	112.8	R127 F128 T129 D133	R127-H131 WeakPolarHBondContact O-CB 3.44Å; R127-H131 PolarHBondContact O-N 3Å; F128-H131 WeakPolarHBondContact O-CB 3.49Å; F128-H131 PolarHBondContact O-N 2.85Å; F128-H131 VanDerWaalsContact O-N 3.11Å; T129-H131 PolarHBondContact O-N 3.21Å; H131-D133 VanDerWaalsContact C-N 3.31Å; H131-D133 PolarHBondContact O-N 3.37Å
132	W	93.9	Very high	94.5	Very high	63 Å²	63	28.8 Å²	28.8	24%	0.239	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.2	180	-61.2	-33.5	0	0	0	114.5	V102 K105 F113 F128 T129 T130 V134	V102-W132 HydrophobicContact CB-CH2 4.45Å; V102-W132 HydrophobicContact CG2-CH2 3.84Å; V102-W132 HydrophobicContact CG2-CZ2 3.93Å; K105-W132 HydrophobicContact CB-CE3 4.31Å; K105-W132 HydrophobicContact CB-CH2 3.86Å; K105-W132 HydrophobicContact CB-CZ2 4.3Å; K105-W132 HydrophobicContact CB-CZ3 3.86Å; K105-W132 HydrophobicContact CD-CD2 4.38Å; K105-W132 HydrophobicContact CD-CE3 4.18Å; K105-W132 HydrophobicContact CG-CD2 3.96Å; K105-W132 HydrophobicContact CG-CE3 3.9Å; K105-W132 HydrophobicContact CG-CH2 4.09Å; K105-W132 HydrophobicContact CG-CZ2 4.15Å; K105-W132 HydrophobicContact CG-CZ3 3.96Å; F113-W132 HydrophobicContact CE2-CE3 4.21Å; F113-W132 HydrophobicContact CE2-CZ3 4.1Å; F113-W132 HydrophobicContact CZ-CZ3 4.12Å; F128-W132 HydrophobicContact CB-CD2 4.3Å; F128-W132 HydrophobicContact CB-CE3 4.04Å; F128-W132 HydrophobicContact CB-CH2 3.62Å; F128-W132 HydrophobicContact CB-CZ2 3.88Å; F128-W132 HydrophobicContact CB-CZ3 3.71Å; F128-W132 AromaticContact CD1-CH2 4Å; F128-W132 HydrophobicContact CD1-CH2 4Å; F128-W132 AromaticContact CD1-CZ2 3.53Å; F128-W132 HydrophobicContact CD1-CZ2 3.53Å; F128-W132 HydrophobicContact CE1-CZ2 4.36Å; F128-W132 AromaticContact CG-CH2 3.94Å; F128-W132 HydrophobicContact CG-CH2 3.94Å; F128-W132 AromaticContact CG-CZ2 3.96Å; F128-W132 HydrophobicContact CG-CZ2 3.96Å; F128-W132 VanDerWaalsContact O-CG 3.22Å; F128-W132 PolarHBondContact O-N 2.71Å; T129-W132 PolarHBondContact O-N 2.98Å; T130-W132 VanDerWaalsContact C-N 3.34Å; T130-W132 PolarHBondContact O-N 2.97Å; W132-V134 VanDerWaalsContact C-N 3.27Å; W132-V134 HydrophobicContact CB-CB 4.46Å; W132-V134 HydrophobicContact CB-CG2 3.82Å; W132-V134 PolarHBondContact O-N 3.42Å
133	D	93.8	Very high	94.4	Very high	64 Å²	64	29.4 Å²	29.4	34%	0.342	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	45.4	-169.9	-171.5	37.9	0	0	0	111.8	T129 T130 H131 G379 D380	T129-D133 PolarHBondContact O-N 3.3Å; T129-D133 VanDerWaalsContact O-N 3.14Å; T130-D133 PolarHBondContact O-N 3.24Å; H131-D133 VanDerWaalsContact C-N 3.31Å; H131-D133 PolarHBondContact O-N 3.37Å; D133-G379 WeakPolarHBondContact O-CA 3.39Å; D133-G379 PolarHBondContact O-N 2.8Å; D133-G379 WeakPolarHBondContact OD1-CA 3.33Å; D133-G379 PolarHBondContact OD1-N 2.92Å; D133-G379 PolarHBondContact OD2-N 3.5Å; D133-G379 VanDerWaalsContact OD2-N 3.12Å; D133-D380 PolarHBondContact OD1-N 3.46Å
134	V	95.3	Very high	94.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	13%	0.134	C	C	.	.			trans	-116.6	124.8	177.4	-179.2	0	0	0	0	108.8	F113 T129 W132	F113-V134 HydrophobicContact CD2-CG1 3.8Å; F113-V134 HydrophobicContact CE2-CG1 4.18Å; T129-V134 WeakPolarHBondContact CB-O 3.37Å; T129-V134 PolarHBondContact O-N 2.7Å; W132-V134 VanDerWaalsContact C-N 3.27Å; W132-V134 HydrophobicContact CB-CB 4.46Å; W132-V134 HydrophobicContact CB-CG2 3.82Å; W132-V134 PolarHBondContact O-N 3.42Å
135	P	96.5	Very high	93.9	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.026	15%	0.147	C	C	.	.			trans	-60	140.5	176.4	-23.6	34.6	0	0	0	112.2	W111 A112 F113 Y356 V382 M386	W111-P135 WeakPolarHBondContact O-CD 3.46Å; A112-P135 CarbonylContact C-O 3.51Å; A112-P135 VanDerWaalsContact CA-O 3.32Å; A112-P135 WeakPolarHBondContact CA-O 3.41Å; F113-P135 PolarHBondContact N-O 3.07Å; P135-Y356 HydrophobicContact CB-CE2 4.32Å; P135-Y356 HydrophobicContact CG-CE2 4.29Å; P135-V382 HydrophobicContact CG-CB 4.31Å; P135-M386 HydrophobicContact CB-CE 4.12Å
136	M	96.2	Very high	93.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.7	171.3	175.7	176.8	159	0	0	108.7	F113 G115 V125 A126 T129 T138 A151 V152 T153	F113-M136 HydrophobicContact CB-CG 4.5Å; F113-M136 CarbonylContact O-C 3.52Å; F113-M136 WeakPolarHBondContact O-CA 2.96Å; G115-M136 WeakPolarHBondContact O-CE 3.42Å; V125-M136 HydrophobicContact CG1-SD 4.12Å; A126-M136 HydrophobicContact CB-SD 4.1Å; T129-M136 HydrophobicContact CG2-CB 4.25Å; M136-T138 HydrophobicContact CE-CG2 4.33Å; M136-A151 PolarHBondContact N-O 3.44Å; M136-V152 HydrophobicContact CB-CG2 4.41Å; M136-V152 CarbonylContact O-C 3.58Å; M136-V152 WeakPolarHBondContact O-CA 3.37Å; M136-V152 HydrophobicContact SD-CG2 4.25Å; M136-T153 PolarHBondContact O-N 3.31Å
137	V	97.3	Very high	92.7	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	130	176.6	-176	0	0	0	0	108.8	F113 I114 G115 T153 T155 M386	F113-V137 PolarHBondContact O-N 2.99Å; I114-V137 CarbonylContact C-O 3.17Å; I114-V137 VanDerWaalsContact CA-O 3.26Å; I114-V137 WeakPolarHBondContact CA-O 3.36Å; I114-V137 HydrophobicContact CD1-CB 3.94Å; G115-V137 PolarHBondContact N-O 3.22Å; V137-T153 WeakPolarHBondContact CA-O 3.33Å; V137-T155 HydrophobicContact CG1-CG2 4.12Å; V137-M386 HydrophobicContact CG2-CE 4.08Å; V137-M386 HydrophobicContact CG2-SD 4.03Å
138	T	96.6	Very high	91.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.1	179.5	-173.5	0	0	0	0	110.8	P116 M136 G140 A141 T153 N154 T155	P116-T138 PolarHBondContact O-OG1 2.63Å; M136-T138 HydrophobicContact CE-CG2 4.33Å; T138-G140 PolarHBondContact OG1-N 3.33Å; T138-G140 VanDerWaalsContact OG1-N 3.14Å; T138-A141 HydrophobicContact CG2-CB 3.78Å; T138-T153 PolarHBondContact N-O 2.76Å; T138-N154 CarbonylContact O-C 3.6Å; T138-N154 VanDerWaalsContact O-CA 3.25Å; T138-N154 WeakPolarHBondContact O-CA 3.48Å; T138-N154 PolarHBondContact O-OD1 3.49Å; T138-N154 VanDerWaalsContact O-OD1 3.1Å; T138-T155 PolarHBondContact O-N 3.37Å; T138-T155 PolarHBondContact O-OG1 2.97Å
139	A	95.8	Very high	91	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-114.2	17.8	167.3	0	0	0	0	0	112.4	I345 D348 F349	A139-I345 HydrophobicContact CB-CG2 4.34Å; A139-D348 HydrophobicContact CB-CB 3.47Å; A139-D348 VanDerWaalsContact CB-CB 3.47Å; A139-F349 HydrophobicContact CB-CD1 4.41Å; A139-F349 HydrophobicContact CB-CD2 3.71Å; A139-F349 HydrophobicContact CB-CE2 3.8Å; A139-F349 HydrophobicContact CB-CG 4.02Å; A139-F349 HydrophobicContact CB-CZ 4.22Å
140	G	91.3	Very high	89.9	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.			trans	-112.7	-127.9	170.7	0	0	0	0	0	110.7	G117 T138 R142 N154	G117-G140 CarbonylContact O-C 3.59Å; G117-G140 WeakPolarHBondContact O-CA 3.42Å; T138-G140 PolarHBondContact OG1-N 3.33Å; T138-G140 VanDerWaalsContact OG1-N 3.14Å; G140-R142 VanDerWaalsContact C-N 3.34Å; G140-R142 VanDerWaalsContact O-CG 3.31Å; G140-R142 WeakPolarHBondContact O-CG 3.28Å; G140-R142 PolarHBondContact O-N 3.05Å; G140-R142 VanDerWaalsContact O-N 3.14Å; G140-N154 PolarHBondContact O-ND2 3.44Å; G140-N154 PolarHBondContact O-OD1 2.93Å
141	A	92.5	Very high	89.6	Confident	1 Å²	1	35 Å²	35	1%	0.008	18%	0.18	C	C	.	.			trans	42.4	54.8	169.5	0	0	0	0	0	113.6	G117 T138 A143 F146 N154	G117-A141 PolarHBondContact O-N 3.45Å; T138-A141 HydrophobicContact CG2-CB 3.78Å; A141-A143 PolarHBondContact O-N 3Å; A141-F146 HydrophobicContact CB-CD2 4.07Å; A141-F146 HydrophobicContact CB-CE1 4.3Å; A141-F146 HydrophobicContact CB-CE2 3.8Å; A141-F146 HydrophobicContact CB-CG 4.46Å; A141-F146 HydrophobicContact CB-CZ 3.95Å; A141-F146 WeakPolarHBondContact O-CD2 3.43Å; A141-N154 PolarHBondContact O-ND2 3.33Å
142	R	92.1	Very high	89.6	Confident	11 Å²	11	28 Å²	28	4%	0.042	15%	0.148	C	C	.	.			trans	-86.9	-10.6	-159.2	-54.4	172.8	-71.4	168.5	1.3	113.7	E119 G140 P157 H159	E119-R142 IonicContact OE1-CZ 3.82Å; E119-R142 IonicContact OE1-NE 3.2Å; E119-R142 PolarHBondContact OE1-NE 3.01Å; E119-R142 IonicContact OE1-NH2 3.27Å; E119-R142 PolarHBondContact OE1-NH2 3.09Å; E119-R142 VanDerWaalsContact OE1-NH2 3.16Å; E119-R142 IonicContact OE2-NH2 2.78Å; G140-R142 VanDerWaalsContact C-N 3.34Å; G140-R142 VanDerWaalsContact O-CG 3.31Å; G140-R142 WeakPolarHBondContact O-CG 3.28Å; G140-R142 PolarHBondContact O-N 3.05Å; G140-R142 VanDerWaalsContact O-N 3.14Å; R142-P157 VanDerWaalsContact CG-O 3.25Å; R142-P157 WeakPolarHBondContact CG-O 3.48Å; R142-H159 WeakPolarHBondContact O-CB 3.43Å; R142-H159 PolarHBondContact O-CD2 3.35Å; R142-H159 PolarHBondContact O-N 2.89Å
143	A	92.4	Very high	89.7	Confident	12 Å²	12	25 Å²	25	10%	0.099	14%	0.137	C	C	.	.	S	Bend	trans	-62.5	151.2	-177.4	0	0	0	0	0	112.9	E119 A141 G145 F146 F198	E119-A143 HydrophobicContact CG-CB 3.98Å; A141-A143 PolarHBondContact O-N 3Å; A143-G145 PolarHBondContact O-N 3.45Å; A143-G145 VanDerWaalsContact O-N 3.14Å; A143-F146 HydrophobicContact CB-CD2 4.23Å; A143-F146 HydrophobicContact CB-CE2 4.08Å; A143-F146 WeakPolarHBondContact O-CD2 3.39Å; A143-F146 PolarHBondContact O-N 3.5Å; A143-F198 HydrophobicContact CB-CD1 3.76Å; A143-F198 HydrophobicContact CB-CE1 4.19Å; A143-F198 HydrophobicContact CB-CG 4.2Å
144	I	90.3	Very high	89.8	Confident	19 Å²	19	22 Å²	22	10%	0.097	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-66.3	-19.2	-177.6	-163.1	167.9	0	0	0	113.5	F146 K147 A160 E201 E205 M206	I144-F146 PolarHBondContact O-N 2.79Å; I144-K147 HydrophobicContact CG1-CD 4.4Å; I144-K147 WeakPolarHBondContact O-CG 3.2Å; I144-A160 HydrophobicContact CG1-CB 4.47Å; I144-E201 HydrophobicContact CG2-CG 4.24Å; I144-E205 HydrophobicContact CD1-CB 3.71Å; I144-E205 HydrophobicContact CD1-CG 4.13Å; I144-M206 HydrophobicContact CD1-CE 4.04Å
145	G	86.7	Confident	89.8	Confident	36 Å²	36	22 Å²	22	37%	0.371	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-66.3	-14.3	-177.9	0	0	0	0	0	115	A143 K147	A143-G145 PolarHBondContact O-N 3.45Å; A143-G145 VanDerWaalsContact O-N 3.14Å; G145-K147 VanDerWaalsContact C-N 3.31Å; G145-K147 PolarHBondContact O-N 3.41Å
146	F	87.5	Confident	89.7	Confident	16 Å²	16	21.8 Å²	21.8	7%	0.07	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-76.8	-14.7	-177	-70.2	-76.8	0	0	0	114.5	S122 A126 A141 A143 I144 F148 Y149	S122-F146 VanDerWaalsContact CB-CZ 3.47Å; A126-F146 HydrophobicContact CB-CD1 4.35Å; A126-F146 HydrophobicContact CB-CE1 4.25Å; A141-F146 HydrophobicContact CB-CD2 4.07Å; A141-F146 HydrophobicContact CB-CE1 4.3Å; A141-F146 HydrophobicContact CB-CE2 3.8Å; A141-F146 HydrophobicContact CB-CG 4.46Å; A141-F146 HydrophobicContact CB-CZ 3.95Å; A141-F146 WeakPolarHBondContact O-CD2 3.43Å; A143-F146 HydrophobicContact CB-CD2 4.23Å; A143-F146 HydrophobicContact CB-CE2 4.08Å; A143-F146 WeakPolarHBondContact O-CD2 3.39Å; A143-F146 PolarHBondContact O-N 3.5Å; I144-F146 PolarHBondContact O-N 2.79Å; F146-F148 PolarHBondContact O-N 2.95Å; F146-Y149 HydrophobicContact CB-CD2 4.4Å; F146-Y149 AromaticContact CD1-CD2 3.78Å; F146-Y149 HydrophobicContact CD1-CD2 3.78Å; F146-Y149 AromaticContact CD1-CE2 3.86Å; F146-Y149 HydrophobicContact CD1-CE2 3.86Å; F146-Y149 HydrophobicContact CE1-CE2 4.31Å; F146-Y149 HydrophobicContact CG-CD2 4.5Å; F146-Y149 PolarHBondContact O-N 3.02Å; F146-Y149 VanDerWaalsContact O-N 3.13Å
147	K	77	Confident	89.6	Confident	93 Å²	93	22 Å²	22	40%	0.404	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-57.2	-15	178.4	71.7	-173.1	179.6	-173.1	0	115.6	I144 G145 V403	I144-K147 HydrophobicContact CG1-CD 4.4Å; I144-K147 WeakPolarHBondContact O-CG 3.2Å; G145-K147 VanDerWaalsContact C-N 3.31Å; G145-K147 PolarHBondContact O-N 3.41Å; K147-V403 HydrophobicContact CB-CG1 3.97Å
148	F	74.9	Confident	89.5	Confident	159 Å²	159	22 Å²	22	70%	0.697	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	-95.4	-5.7	-176.6	-58.7	-70.2	0	0	0	114	F146	F146-F148 PolarHBondContact O-N 2.95Å
149	Y	79.1	Confident	89.4	Confident	43 Å²	43	22 Å²	22	17%	0.169	12%	0.12	C	C	.	.			trans	-98.5	115.2	-176.7	-59	-66.7	0	0	0	111.6	A126 R127 F146 A151 V152	A126-Y149 HydrophobicContact CB-CD1 4.39Å; A126-Y149 HydrophobicContact CB-CD2 3.97Å; A126-Y149 HydrophobicContact CB-CE2 4.29Å; A126-Y149 HydrophobicContact CB-CG 4.02Å; R127-Y149 HydrophobicContact CG-CD1 4.37Å; R127-Y149 HydrophobicContact CG-CE1 3.49Å; R127-Y149 VanDerWaalsContact CG-CE1 3.49Å; R127-Y149 PolarHBondContact NH1-OH 3.35Å; F146-Y149 HydrophobicContact CB-CD2 4.4Å; F146-Y149 AromaticContact CD1-CD2 3.78Å; F146-Y149 HydrophobicContact CD1-CD2 3.78Å; F146-Y149 AromaticContact CD1-CE2 3.86Å; F146-Y149 HydrophobicContact CD1-CE2 3.86Å; F146-Y149 HydrophobicContact CE1-CE2 4.31Å; F146-Y149 HydrophobicContact CG-CD2 4.5Å; F146-Y149 PolarHBondContact O-N 3.02Å; F146-Y149 VanDerWaalsContact O-N 3.13Å; Y149-A151 PolarHBondContact O-N 2.94Å; Y149-A151 VanDerWaalsContact O-N 3.14Å; Y149-V152 HydrophobicContact CG-CG2 4.45Å; Y149-V152 PolarHBondContact O-N 3.36Å
150	A	72.5	Confident	89.3	Confident	54 Å²	54	22.8 Å²	22.8	45%	0.446	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.5	-172.9	0	0	0	0	0	114.9	T130 T383	T130-A150 HydrophobicContact CG2-CB 4.46Å; A150-T383 WeakPolarHBondContact O-CG2 3.23Å
151	A	85.2	Confident	89.4	Confident	5 Å²	5	23 Å²	23	4%	0.041	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-1	-175.1	0	0	0	0	0	114.5	M136 Y149	M136-A151 PolarHBondContact N-O 3.44Å; Y149-A151 PolarHBondContact O-N 2.94Å; Y149-A151 VanDerWaalsContact O-N 3.14Å
152	V	94.3	Very high	89.6	Confident	6 Å²	6	23 Å²	23	4%	0.036	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.6	-174.3	-179.5	0	0	0	0	110.6	A126 M136 Y149 W387	A126-V152 HydrophobicContact CB-CG2 3.64Å; M136-V152 HydrophobicContact CB-CG2 4.41Å; M136-V152 CarbonylContact O-C 3.58Å; M136-V152 WeakPolarHBondContact O-CA 3.37Å; M136-V152 HydrophobicContact SD-CG2 4.25Å; Y149-V152 HydrophobicContact CG-CG2 4.45Å; Y149-V152 PolarHBondContact O-N 3.36Å; V152-W387 VanDerWaalsContact O-CZ2 3.3Å; V152-W387 WeakPolarHBondContact O-CZ2 3.38Å
153	T	96.2	Very high	89.7	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.9	170.2	-60.2	0	0	0	0	108.6	M136 V137 T138 T155 L355 M386 W387 M400	M136-T153 PolarHBondContact O-N 3.31Å; V137-T153 WeakPolarHBondContact CA-O 3.33Å; T138-T153 PolarHBondContact N-O 2.76Å; T153-T155 HydrophobicContact CG2-CG2 4.13Å; T153-L355 HydrophobicContact CG2-CD2 4.27Å; T153-M386 HydrophobicContact CG2-CB 4.16Å; T153-M386 HydrophobicContact CG2-SD 4.43Å; T153-M386 WeakPolarHBondContact OG1-CE 3.49Å; T153-W387 PolarHBondContact OG1-NE1 3.47Å; T153-M400 HydrophobicContact CG2-CE 3.72Å
154	N	95.8	Very high	89.8	Confident	1 Å²	1	24 Å²	24	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	103.8	178.7	-161.3	-25.3	0	0	0	110.9	T138 G140 A141 G156 T158 M400 G404 D405 R406	T138-N154 CarbonylContact O-C 3.6Å; T138-N154 VanDerWaalsContact O-CA 3.25Å; T138-N154 WeakPolarHBondContact O-CA 3.48Å; T138-N154 PolarHBondContact O-OD1 3.49Å; T138-N154 VanDerWaalsContact O-OD1 3.1Å; G140-N154 PolarHBondContact O-ND2 3.44Å; G140-N154 PolarHBondContact O-OD1 2.93Å; A141-N154 PolarHBondContact O-ND2 3.33Å; N154-G156 VanDerWaalsContact C-N 3.32Å; N154-G156 PolarHBondContact OD1-N 2.97Å; N154-G156 PolarHBondContact OD1-O 3.35Å; N154-T158 HydrophobicContact CB-CG2 4.12Å; N154-T158 WeakPolarHBondContact ND2-CG2 3.45Å; N154-M400 WeakPolarHBondContact O-CE 3.31Å; N154-G404 PolarHBondContact N-O 3.37Å; N154-D405 WeakPolarHBondContact CB-OD1 3.46Å; N154-R406 PolarHBondContact O-N 3.33Å
155	T	96	Very high	90	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.			trans	-88.8	-0.8	179.2	56.6	0	0	0	0	113.7	V137 T138 T153 D348 L355 M400 R406	V137-T155 HydrophobicContact CG1-CG2 4.12Å; T138-T155 PolarHBondContact O-N 3.37Å; T138-T155 PolarHBondContact O-OG1 2.97Å; T153-T155 HydrophobicContact CG2-CG2 4.13Å; T155-D348 PolarHBondContact OG1-O 3.32Å; T155-L355 HydrophobicContact CG2-CD2 3.83Å; T155-M400 HydrophobicContact CG2-CE 4.14Å; T155-M400 HydrophobicContact CG2-SD 4.26Å; T155-R406 WeakPolarHBondContact O-CD 3.34Å; T155-R406 PolarHBondContact O-NH1 2.8Å
156	G	94.5	Very high	90.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-102.8	-174.5	172.7	0	0	0	0	0	112.7	N154 D348	N154-G156 VanDerWaalsContact C-N 3.32Å; N154-G156 PolarHBondContact OD1-N 2.97Å; N154-G156 PolarHBondContact OD1-O 3.35Å; G156-D348 WeakPolarHBondContact CA-OD2 3.39Å
157	P	93.9	Very high	90.7	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.019	11%	0.111	C	C	.	.			trans	-71.2	144.5	179.6	-22.2	36.3	0	0	0	113.2	R142 Y310 I345 D348 T408	R142-P157 VanDerWaalsContact CG-O 3.25Å; R142-P157 WeakPolarHBondContact CG-O 3.48Å; P157-Y310 HydrophobicContact CB-CD1 4Å; P157-Y310 HydrophobicContact CB-CE1 3.26Å; P157-Y310 HydrophobicContact CB-CE2 3.93Å; P157-Y310 VanDerWaalsContact CB-OH 3.28Å; P157-Y310 WeakPolarHBondContact CB-OH 3.28Å; P157-Y310 HydrophobicContact CG-CD1 4.14Å; P157-Y310 HydrophobicContact CG-CD2 4.22Å; P157-Y310 HydrophobicContact CG-CE1 3.84Å; P157-Y310 HydrophobicContact CG-CE2 3.9Å; P157-Y310 HydrophobicContact CG-CG 4.34Å; P157-I345 HydrophobicContact CG-CD1 4.28Å; P157-D348 WeakPolarHBondContact CD-OD2 3.49Å; P157-T408 WeakPolarHBondContact CA-OG1 3.41Å; P157-T408 HydrophobicContact CB-CG2 3.79Å; P157-T408 HydrophobicContact CG-CG2 4.24Å
158	T	94.5	Very high	91.5	Very high	3 Å²	3	19.9 Å²	19.9	2%	0.018	10%	0.103	C	C	.	.			trans	-122.6	155.6	175.7	77.1	0	0	0	0	113.2	N154 A160 K161 L162 D405	N154-T158 HydrophobicContact CB-CG2 4.12Å; N154-T158 WeakPolarHBondContact ND2-CG2 3.45Å; T158-A160 VanDerWaalsContact C-N 3.25Å; T158-A160 PolarHBondContact O-N 3.02Å; T158-K161 PolarHBondContact O-N 3.03Å; T158-K161 WeakPolarHBondContact OG1-CG 3.49Å; T158-K161 PolarHBondContact OG1-N 2.98Å; T158-L162 PolarHBondContact O-N 3.43Å; T158-D405 HydrophobicContact CG2-CB 4.08Å
159	H	94.6	Very high	92.4	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-71.5	-22	177.8	-61.2	-44.2	0	0	0	112.5	R142 K161 L162 G163 F198 T199 G202	R142-H159 WeakPolarHBondContact O-CB 3.43Å; R142-H159 PolarHBondContact O-CD2 3.35Å; R142-H159 PolarHBondContact O-N 2.89Å; H159-K161 VanDerWaalsContact C-N 3.33Å; H159-L162 WeakPolarHBondContact O-CB 3.32Å; H159-L162 PolarHBondContact O-N 3.28Å; H159-G163 PolarHBondContact O-N 3.2Å; H159-F198 VanDerWaalsContact CD2-C 3.41Å; H159-F198 PolarHBondContact CD2-O 3Å; H159-F198 VanDerWaalsContact CD2-O 3.22Å; H159-T199 PolarHBondContact CE1-OG1 2.88Å; H159-G202 WeakPolarHBondContact O-CA 3.35Å
160	A	93.2	Very high	93	Very high	17 Å²	17	10.3 Å²	10.3	14%	0.14	6%	0.062	C	C	.	.	H	α-helix	trans	-60.8	-43.7	169	0	0	0	0	0	111	I144 T158 L162 G163 E164	I144-A160 HydrophobicContact CG1-CB 4.47Å; T158-A160 VanDerWaalsContact C-N 3.25Å; T158-A160 PolarHBondContact O-N 3.02Å; A160-L162 PolarHBondContact O-N 3.02Å; A160-G163 WeakPolarHBondContact O-CA 3.27Å; A160-G163 PolarHBondContact O-N 2.96Å; A160-G163 VanDerWaalsContact O-N 3.11Å; A160-E164 PolarHBondContact O-N 3.07Å
161	K	94.9	Very high	94	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.022	6%	0.06	C	C	.	.	H	α-helix	trans	-67.1	-34.2	176.2	-59.6	-56.3	176.4	-178.7	0	113.1	T158 H159 G163 E164 F165 D401 E407 F410	T158-K161 PolarHBondContact O-N 3.03Å; T158-K161 WeakPolarHBondContact OG1-CG 3.49Å; T158-K161 PolarHBondContact OG1-N 2.98Å; H159-K161 VanDerWaalsContact C-N 3.33Å; K161-G163 VanDerWaalsContact C-N 3.29Å; K161-G163 PolarHBondContact O-N 2.95Å; K161-E164 WeakPolarHBondContact CD-OE1 3.46Å; K161-E164 IonicContact NZ-OE1 3.84Å; K161-E164 PolarHBondContact NZ-OE1 3.35Å; K161-E164 PolarHBondContact O-N 3.28Å; K161-F165 PolarHBondContact O-N 2.97Å; K161-D401 VanDerWaalsContact CE-OD2 3.29Å; K161-D401 WeakPolarHBondContact CE-OD2 3.41Å; K161-D401 IonicContact NZ-OD2 2.87Å; K161-D401 PolarHBondContact NZ-OD2 2.7Å; K161-E407 WeakPolarHBondContact CD-OE2 3.27Å; K161-E407 VanDerWaalsContact CE-OE2 3.31Å; K161-E407 WeakPolarHBondContact CE-OE2 3.32Å; K161-E407 IonicContact NZ-OE1 3.28Å; K161-E407 PolarHBondContact NZ-OE1 3.48Å; K161-E407 IonicContact NZ-OE2 2.8Å; K161-E407 PolarHBondContact NZ-OE2 2.93Å; K161-F410 HydrophobicContact CB-CE2 4.26Å; K161-F410 HydrophobicContact CB-CZ 4.49Å
162	L	95.7	Very high	94.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61.9	-39	170.2	179.4	66.8	0	0	0	111.8	T158 H159 A160 F165 S166 T199 V203 I270 L272 F410	T158-L162 PolarHBondContact O-N 3.43Å; H159-L162 WeakPolarHBondContact O-CB 3.32Å; H159-L162 PolarHBondContact O-N 3.28Å; A160-L162 PolarHBondContact O-N 3.02Å; L162-F165 HydrophobicContact CD1-CD1 4.1Å; L162-F165 PolarHBondContact O-N 3.39Å; L162-S166 WeakPolarHBondContact O-CB 3.41Å; L162-S166 PolarHBondContact O-N 3.43Å; L162-S166 PolarHBondContact O-OG 2.9Å; L162-T199 HydrophobicContact CD2-CG2 3.51Å; L162-V203 HydrophobicContact CD2-CG2 3.98Å; L162-V203 HydrophobicContact CG-CG2 3.96Å; L162-I270 HydrophobicContact CD2-CD1 4.46Å; L162-I270 HydrophobicContact CD2-CG2 4.02Å; L162-L272 HydrophobicContact CD1-CD2 4.06Å; L162-L272 HydrophobicContact CD2-CD2 4.21Å; L162-F410 HydrophobicContact CB-CE1 4.2Å; L162-F410 HydrophobicContact CB-CZ 3.9Å; L162-F410 HydrophobicContact CD1-CD1 4.15Å; L162-F410 HydrophobicContact CD1-CE1 3.67Å; L162-F410 HydrophobicContact CD1-CZ 4.12Å
163	G	94.8	Very high	94.1	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.4	-41.5	173.8	0	0	0	0	0	112.7	H159 A160 K161 S166 L167	H159-G163 PolarHBondContact O-N 3.2Å; A160-G163 WeakPolarHBondContact O-CA 3.27Å; A160-G163 PolarHBondContact O-N 2.96Å; A160-G163 VanDerWaalsContact O-N 3.11Å; K161-G163 VanDerWaalsContact C-N 3.29Å; K161-G163 PolarHBondContact O-N 2.95Å; G163-S166 PolarHBondContact O-N 3.2Å; G163-L167 WeakPolarHBondContact O-CB 3.34Å; G163-L167 PolarHBondContact O-N 2.98Å
164	E	94.4	Very high	93.9	Very high	44 Å²	44	20.7 Å²	20.7	21%	0.206	10%	0.104	C	C	.	.	H	α-helix	trans	-59.8	-45.3	173.4	-67.9	-169.8	-142.8	0	0	111.9	A160 K161 K168 K434	A160-E164 PolarHBondContact O-N 3.07Å; K161-E164 WeakPolarHBondContact CD-OE1 3.46Å; K161-E164 IonicContact NZ-OE1 3.84Å; K161-E164 PolarHBondContact NZ-OE1 3.35Å; K161-E164 PolarHBondContact O-N 3.28Å; E164-K168 PolarHBondContact O-N 3.28Å; E164-K434 IonicContact OE2-NZ 3.79Å; E164-K434 PolarHBondContact OE2-NZ 3.13Å
165	F	95.2	Very high	93.7	Very high	1 Å²	1	20.8 Å²	20.8	0%	0.004	10%	0.104	C	C	.	.	H	α-helix	trans	-59	-49.1	172.6	161.7	-106.9	0	0	0	111.4	K161 L162 L167 K168 F169 L308 F410 V412 Y429 L436	K161-F165 PolarHBondContact O-N 2.97Å; L162-F165 HydrophobicContact CD1-CD1 4.1Å; L162-F165 PolarHBondContact O-N 3.39Å; F165-L167 VanDerWaalsContact C-N 3.31Å; F165-L167 PolarHBondContact O-N 3.33Å; F165-K168 PolarHBondContact O-N 3.41Å; F165-K168 VanDerWaalsContact O-N 3.15Å; F165-F169 HydrophobicContact CE2-CB 4.37Å; F165-F169 AromaticContact CE2-CD2 3.95Å; F165-F169 HydrophobicContact CE2-CD2 3.95Å; F165-F169 HydrophobicContact CZ-CB 4.36Å; F165-F169 AromaticContact CZ-CD2 3.81Å; F165-F169 HydrophobicContact CZ-CD2 3.81Å; F165-F169 HydrophobicContact CZ-CE2 4.48Å; F165-F169 HydrophobicContact CZ-CG 4.28Å; F165-F169 WeakPolarHBondContact O-CB 3.45Å; F165-F169 PolarHBondContact O-N 3.35Å; F165-L308 HydrophobicContact CE1-CD1 3.92Å; F165-L308 HydrophobicContact CE1-CD2 3.85Å; F165-L308 HydrophobicContact CE1-CG 4.34Å; F165-L308 HydrophobicContact CZ-CD2 3.85Å; F165-F410 HydrophobicContact CB-CD2 3.75Å; F165-F410 HydrophobicContact CB-CE2 4.03Å; F165-F410 HydrophobicContact CB-CG 4.36Å; F165-F410 HydrophobicContact CD1-CB 4.47Å; F165-F410 HydrophobicContact CD1-CG 4.35Å; F165-F410 HydrophobicContact CD2-CB 4.23Å; F165-F410 HydrophobicContact CE2-CB 4.43Å; F165-F410 HydrophobicContact CG-CB 4.23Å; F165-F410 HydrophobicContact CG-CD2 4.03Å; F165-F410 HydrophobicContact CG-CG 4.16Å; F165-V412 HydrophobicContact CE2-CG2 4.13Å; F165-V412 HydrophobicContact CZ-CG2 3.74Å; F165-Y429 HydrophobicContact CB-CD1 4.03Å; F165-Y429 HydrophobicContact CB-CE1 4.04Å; F165-Y429 HydrophobicContact CB-CG 4.36Å; F165-Y429 VanDerWaalsContact CD2-CB 3.46Å; F165-Y429 AromaticContact CD2-CD1 3.98Å; F165-Y429 HydrophobicContact CD2-CD1 3.98Å; F165-Y429 AromaticContact CD2-CD2 3.92Å; F165-Y429 HydrophobicContact CD2-CD2 3.92Å; F165-Y429 AromaticContact CD2-CG 3.51Å; F165-Y429 HydrophobicContact CD2-CG 3.51Å; F165-Y429 HydrophobicContact CE2-CG 4.31Å; F165-Y429 HydrophobicContact CG-CD1 4.41Å; F165-Y429 HydrophobicContact CG-CG 4.37Å; F165-L436 HydrophobicContact CE2-CD1 4.04Å
166	S	94.9	Very high	93.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-39.7	-177.2	-62.6	0	0	0	0	112.1	L162 G163 F169 Q170 Y240	L162-S166 WeakPolarHBondContact O-CB 3.41Å; L162-S166 PolarHBondContact O-N 3.43Å; L162-S166 PolarHBondContact O-OG 2.9Å; G163-S166 PolarHBondContact O-N 3.2Å; S166-F169 PolarHBondContact O-N 3.46Å; S166-Q170 WeakPolarHBondContact O-CG 3.27Å; S166-Q170 PolarHBondContact O-N 2.96Å; S166-Y240 PolarHBondContact O-OH 3.4Å
167	L	93.9	Very high	93.2	Very high	25 Å²	25	32 Å²	32	13%	0.131	15%	0.15	C	C	.	.	H	α-helix	trans	-64.2	-47.2	174	176.5	62.1	0	0	0	111.4	G163 F165 F169 Q170 Q171 L207 Q210 I212	G163-L167 WeakPolarHBondContact O-CB 3.34Å; G163-L167 PolarHBondContact O-N 2.98Å; F165-L167 VanDerWaalsContact C-N 3.31Å; F165-L167 PolarHBondContact O-N 3.33Å; L167-F169 VanDerWaalsContact C-N 3.29Å; L167-F169 PolarHBondContact O-N 3.32Å; L167-Q170 PolarHBondContact O-N 3.15Å; L167-Q171 HydrophobicContact CD1-CG 4.42Å; L167-Q171 VanDerWaalsContact O-CG 3.31Å; L167-Q171 WeakPolarHBondContact O-CG 3.44Å; L167-Q171 PolarHBondContact O-N 3.34Å; L167-L207 HydrophobicContact CD1-CD2 4.34Å; L167-Q210 HydrophobicContact CD1-CB 4.12Å; L167-Q210 HydrophobicContact CD1-CG 3.69Å; L167-Q210 HydrophobicContact CD2-CG 3.68Å; L167-Q210 HydrophobicContact CG-CG 4.34Å; L167-I212 HydrophobicContact CD1-CD1 4.19Å
168	K	93.7	Very high	93	Very high	52 Å²	52	33 Å²	33	23%	0.226	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-39.1	178.2	-175.7	52.7	167.8	156.3	0	111.5	E164 F165 Q171 E172 Y429 K434 L436	E164-K168 PolarHBondContact O-N 3.28Å; F165-K168 PolarHBondContact O-N 3.41Å; F165-K168 VanDerWaalsContact O-N 3.15Å; K168-Q171 PolarHBondContact O-N 3.43Å; K168-E172 WeakPolarHBondContact CE-OE1 3.48Å; K168-E172 IonicContact NZ-OE1 2.74Å; K168-E172 PolarHBondContact NZ-OE1 3.01Å; K168-E172 WeakPolarHBondContact O-CG 3.4Å; K168-E172 PolarHBondContact O-N 3.28Å; K168-E172 VanDerWaalsContact O-N 3.09Å; K168-Y429 HydrophobicContact CB-CE2 4.04Å; K168-Y429 HydrophobicContact CG-CD2 4.44Å; K168-Y429 HydrophobicContact CG-CE2 3.95Å; K168-K434 WeakPolarHBondContact CE-O 3.45Å; K168-L436 HydrophobicContact CG-CB 4.46Å
169	F	92.8	Very high	93	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-60.5	-47.9	175.4	-163.6	-93.7	0	0	0	111.2	F165 S166 L167 Q171 E172 F173 W175 L268 V412 L436 I441	F165-F169 HydrophobicContact CE2-CB 4.37Å; F165-F169 AromaticContact CE2-CD2 3.95Å; F165-F169 HydrophobicContact CE2-CD2 3.95Å; F165-F169 HydrophobicContact CZ-CB 4.36Å; F165-F169 AromaticContact CZ-CD2 3.81Å; F165-F169 HydrophobicContact CZ-CD2 3.81Å; F165-F169 HydrophobicContact CZ-CE2 4.48Å; F165-F169 HydrophobicContact CZ-CG 4.28Å; F165-F169 WeakPolarHBondContact O-CB 3.45Å; F165-F169 PolarHBondContact O-N 3.35Å; S166-F169 PolarHBondContact O-N 3.46Å; L167-F169 VanDerWaalsContact C-N 3.29Å; L167-F169 PolarHBondContact O-N 3.32Å; F169-Q171 PolarHBondContact O-N 3.35Å; F169-E172 PolarHBondContact O-N 2.86Å; F169-F173 HydrophobicContact CD1-CD2 4.09Å; F169-F173 HydrophobicContact CD1-CE2 4.25Å; F169-F173 HydrophobicContact CD2-CE2 4.3Å; F169-F173 AromaticContact CE1-CD2 3.89Å; F169-F173 HydrophobicContact CE1-CD2 3.89Å; F169-F173 AromaticContact CE1-CE2 3.8Å; F169-F173 HydrophobicContact CE1-CE2 3.8Å; F169-F173 AromaticContact CE2-CE2 3.83Å; F169-F173 HydrophobicContact CE2-CE2 3.83Å; F169-F173 HydrophobicContact CG-CE2 4.49Å; F169-F173 HydrophobicContact CZ-CD2 4.15Å; F169-F173 AromaticContact CZ-CE2 3.56Å; F169-F173 HydrophobicContact CZ-CE2 3.56Å; F169-F173 HydrophobicContact CZ-CZ 4.47Å; F169-F173 VanDerWaalsContact O-CD2 3.27Å; F169-F173 WeakPolarHBondContact O-CD2 3.35Å; F169-F173 PolarHBondContact O-N 2.94Å; F169-W175 HydrophobicContact CD1-CZ3 4.01Å; F169-W175 HydrophobicContact CE1-CH2 4.28Å; F169-W175 AromaticContact CE1-CZ3 3.76Å; F169-W175 HydrophobicContact CE1-CZ3 3.76Å; F169-L268 HydrophobicContact CD1-CD1 4.1Å; F169-L268 HydrophobicContact CE1-CD1 4.03Å; F169-L268 HydrophobicContact CE1-CD2 3.82Å; F169-L268 HydrophobicContact CZ-CD2 4.25Å; F169-V412 HydrophobicContact CD2-CG2 4.48Å; F169-V412 HydrophobicContact CE2-CG1 4.37Å; F169-V412 HydrophobicContact CE2-CG2 4.01Å; F169-L436 HydrophobicContact CB-CD2 4.33Å; F169-L436 HydrophobicContact CD2-CD2 3.51Å; F169-L436 HydrophobicContact CE2-CD2 4.2Å; F169-L436 HydrophobicContact CG-CD2 4.28Å; F169-I441 HydrophobicContact CE2-CD1 3.87Å; F169-I441 HydrophobicContact CZ-CD1 4.09Å
170	Q	92.6	Very high	93	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-39.6	176.9	-75.9	178.9	41.7	0	0	113.2	S166 L167 E172 F173 D174 W175 Y240	S166-Q170 WeakPolarHBondContact O-CG 3.27Å; S166-Q170 PolarHBondContact O-N 2.96Å; L167-Q170 PolarHBondContact O-N 3.15Å; Q170-E172 VanDerWaalsContact C-N 3.31Å; Q170-E172 PolarHBondContact O-N 3.43Å; Q170-F173 CarbonylContact O-C 3.5Å; Q170-F173 PolarHBondContact O-N 3.28Å; Q170-D174 PolarHBondContact O-N 2.94Å; Q170-W175 HydrophobicContact CB-CB 4.26Å; Q170-W175 HydrophobicContact CG-CB 4.24Å; Q170-W175 HydrophobicContact CG-CE3 4.27Å; Q170-W175 PolarHBondContact O-N 3.4Å; Q170-W175 PolarHBondContact OE1-O 3.02Å; Q170-Y240 PolarHBondContact NE2-OH 3.39Å
171	Q	92	Very high	93.2	Very high	86 Å²	86	32.1 Å²	32.1	40%	0.402	15%	0.147	S	C	.	.	H	α-helix	trans	-62.8	-35.8	175.9	-73.2	173.3	-6.2	0	0	112.7	L167 K168 F169 F173 M176	L167-Q171 HydrophobicContact CD1-CG 4.42Å; L167-Q171 VanDerWaalsContact O-CG 3.31Å; L167-Q171 WeakPolarHBondContact O-CG 3.44Å; L167-Q171 PolarHBondContact O-N 3.34Å; K168-Q171 PolarHBondContact O-N 3.43Å; F169-Q171 PolarHBondContact O-N 3.35Å; Q171-F173 PolarHBondContact O-N 3.01Å; Q171-M176 HydrophobicContact CG-SD 4.07Å
172	E	91.5	Very high	93.2	Very high	47 Å²	47	31.9 Å²	31.9	22%	0.22	15%	0.146	C	C	.	.	H	α-helix	trans	-68.6	-24.1	178.9	-76.2	-54.3	148.8	0	0	113.8	K168 F169 Q170 L436 K438	K168-E172 WeakPolarHBondContact CE-OE1 3.48Å; K168-E172 IonicContact NZ-OE1 2.74Å; K168-E172 PolarHBondContact NZ-OE1 3.01Å; K168-E172 WeakPolarHBondContact O-CG 3.4Å; K168-E172 PolarHBondContact O-N 3.28Å; K168-E172 VanDerWaalsContact O-N 3.09Å; F169-E172 PolarHBondContact O-N 2.86Å; Q170-E172 VanDerWaalsContact C-N 3.31Å; Q170-E172 PolarHBondContact O-N 3.43Å; E172-L436 HydrophobicContact CB-CD2 4.38Å; E172-L436 HydrophobicContact CG-CB 4.49Å; E172-L436 HydrophobicContact CG-CD2 4.03Å; E172-K438 HydrophobicContact CB-CD 4.19Å; E172-K438 PolarHBondContact O-NZ 3.11Å; E172-K438 IonicContact OE2-NZ 2.83Å; E172-K438 PolarHBondContact OE2-NZ 3.37Å
173	F	91.2	Very high	93	Very high	19 Å²	19	32.8 Å²	32.8	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-110.8	6.6	-179.2	-65.1	-69.8	0	0	0	114.4	F169 Q170 Q171 W175 K438 I441 W443 I448	F169-F173 HydrophobicContact CD1-CD2 4.09Å; F169-F173 HydrophobicContact CD1-CE2 4.25Å; F169-F173 HydrophobicContact CD2-CE2 4.3Å; F169-F173 AromaticContact CE1-CD2 3.89Å; F169-F173 HydrophobicContact CE1-CD2 3.89Å; F169-F173 AromaticContact CE1-CE2 3.8Å; F169-F173 HydrophobicContact CE1-CE2 3.8Å; F169-F173 AromaticContact CE2-CE2 3.83Å; F169-F173 HydrophobicContact CE2-CE2 3.83Å; F169-F173 HydrophobicContact CG-CE2 4.49Å; F169-F173 HydrophobicContact CZ-CD2 4.15Å; F169-F173 AromaticContact CZ-CE2 3.56Å; F169-F173 HydrophobicContact CZ-CE2 3.56Å; F169-F173 HydrophobicContact CZ-CZ 4.47Å; F169-F173 VanDerWaalsContact O-CD2 3.27Å; F169-F173 WeakPolarHBondContact O-CD2 3.35Å; F169-F173 PolarHBondContact O-N 2.94Å; Q170-F173 CarbonylContact O-C 3.5Å; Q170-F173 PolarHBondContact O-N 3.28Å; Q171-F173 PolarHBondContact O-N 3.01Å; F173-W175 VanDerWaalsContact C-N 3.32Å; F173-W175 HydrophobicContact CB-CD2 3.76Å; F173-W175 HydrophobicContact CB-CE3 4.05Å; F173-W175 HydrophobicContact CB-CG 4.28Å; F173-W175 HydrophobicContact CB-CH2 4.16Å; F173-W175 HydrophobicContact CB-CZ2 3.89Å; F173-W175 HydrophobicContact CB-CZ3 4.25Å; F173-W175 HydrophobicContact CD2-CH2 4.23Å; F173-W175 HydrophobicContact CD2-CZ3 4.22Å; F173-W175 HydrophobicContact CG-CH2 4.2Å; F173-W175 HydrophobicContact CG-CZ2 4.23Å; F173-W175 HydrophobicContact CG-CZ3 4.45Å; F173-W175 PolarHBondContact O-N 3.15Å; F173-K438 HydrophobicContact CE1-CB 4.43Å; F173-K438 HydrophobicContact CZ-CB 4.01Å; F173-I441 HydrophobicContact CE2-CD1 4.03Å; F173-I441 HydrophobicContact CZ-CB 4.34Å; F173-I441 HydrophobicContact CZ-CD1 3.67Å; F173-I441 HydrophobicContact CZ-CG2 4.34Å; F173-W443 HydrophobicContact CD1-CZ2 4.02Å; F173-W443 AromaticContact CE1-CZ2 3.7Å; F173-W443 HydrophobicContact CE1-CZ2 3.7Å; F173-W443 AromaticContact CZ-CZ2 3.99Å; F173-W443 HydrophobicContact CZ-CZ2 3.99Å; F173-I448 HydrophobicContact CB-CG2 4.35Å; F173-I448 HydrophobicContact CD1-CD1 4.09Å; F173-I448 HydrophobicContact CD1-CG1 4.35Å; F173-I448 HydrophobicContact CD1-CG2 4.08Å
174	D	91.2	Very high	92.8	Very high	131 Å²	131	33.1 Å²	33.1	70%	0.701	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.4	34.2	179.2	-159.6	34	0	0	0	114.7	Q170 M176	Q170-D174 PolarHBondContact O-N 2.94Å; D174-M176 PolarHBondContact O-N 3.45Å
175	W	93.1	Very high	92.2	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.015	15%	0.148	C	C	.	.			trans	-92.8	77.5	177.6	-61.6	-27.3	0	0	0	111.5	F169 Q170 F173 V238 V266 L268 W443 I448 P449 D451	F169-W175 HydrophobicContact CD1-CZ3 4.01Å; F169-W175 HydrophobicContact CE1-CH2 4.28Å; F169-W175 AromaticContact CE1-CZ3 3.76Å; F169-W175 HydrophobicContact CE1-CZ3 3.76Å; Q170-W175 HydrophobicContact CB-CB 4.26Å; Q170-W175 HydrophobicContact CG-CB 4.24Å; Q170-W175 HydrophobicContact CG-CE3 4.27Å; Q170-W175 PolarHBondContact O-N 3.4Å; Q170-W175 PolarHBondContact OE1-O 3.02Å; F173-W175 VanDerWaalsContact C-N 3.32Å; F173-W175 HydrophobicContact CB-CD2 3.76Å; F173-W175 HydrophobicContact CB-CE3 4.05Å; F173-W175 HydrophobicContact CB-CG 4.28Å; F173-W175 HydrophobicContact CB-CH2 4.16Å; F173-W175 HydrophobicContact CB-CZ2 3.89Å; F173-W175 HydrophobicContact CB-CZ3 4.25Å; F173-W175 HydrophobicContact CD2-CH2 4.23Å; F173-W175 HydrophobicContact CD2-CZ3 4.22Å; F173-W175 HydrophobicContact CG-CH2 4.2Å; F173-W175 HydrophobicContact CG-CZ2 4.23Å; F173-W175 HydrophobicContact CG-CZ3 4.45Å; F173-W175 PolarHBondContact O-N 3.15Å; W175-V238 HydrophobicContact CB-CG2 4.46Å; W175-V238 HydrophobicContact CD2-CG1 4.38Å; W175-V238 HydrophobicContact CD2-CG2 3.56Å; W175-V238 HydrophobicContact CE3-CG1 3.81Å; W175-V238 HydrophobicContact CE3-CG2 3.83Å; W175-V238 HydrophobicContact CG-CG2 3.85Å; W175-V238 HydrophobicContact CH2-CG2 4.49Å; W175-V238 HydrophobicContact CZ2-CG2 4.26Å; W175-V238 HydrophobicContact CZ3-CG1 4.03Å; W175-V238 HydrophobicContact CZ3-CG2 4.28Å; W175-V266 HydrophobicContact CH2-CB 4.48Å; W175-V266 HydrophobicContact CH2-CG1 3.71Å; W175-V266 HydrophobicContact CH2-CG2 4.37Å; W175-V266 HydrophobicContact CZ2-CG1 4.01Å; W175-V266 HydrophobicContact CZ3-CG1 4.24Å; W175-L268 HydrophobicContact CZ3-CD1 4.46Å; W175-W443 AromaticContact CH2-CH2 3.66Å; W175-W443 HydrophobicContact CH2-CH2 3.66Å; W175-W443 HydrophobicContact CH2-CZ2 4.25Å; W175-W443 HydrophobicContact CH2-CZ3 4.39Å; W175-W443 HydrophobicContact CZ2-CH2 4.06Å; W175-W443 HydrophobicContact CZ2-CZ2 4.39Å; W175-I448 HydrophobicContact CZ2-CG2 3.82Å; W175-P449 PolarHBondContact NE1-O 3.38Å; W175-D451 HydrophobicContact CB-CB 3.93Å; W175-D451 HydrophobicContact CG-CB 4.04Å
176	M	89.6	Confident	90.8	Very high	70 Å²	70	35.4 Å²	35.4	35%	0.345	17%	0.166	S	C	.	.			trans	-110.2	5	-169.5	-60.9	-61.7	-65.3	0	0	114.6	Q171 D174 I212 D451	Q171-M176 HydrophobicContact CG-SD 4.07Å; D174-M176 PolarHBondContact O-N 3.45Å; M176-I212 HydrophobicContact CE-CD1 3.96Å; M176-I212 HydrophobicContact CE-CG1 4.37Å; M176-I212 HydrophobicContact SD-CD1 3.99Å; M176-D451 PolarHBondContact N-OD2 2.73Å
177	R	89.3	Confident	88.9	Confident	165 Å²	165	42.1 Å²	42.1	62%	0.623	20%	0.202	S	C	*	.	S	Bend	trans	-110.8	-54.3	-173.1	-54.5	179.7	175.8	-174.9	1.3	113	T213 D451 M452	R177-T213 WeakPolarHBondContact O-CB 3.48Å; R177-T213 PolarHBondContact O-N 3.48Å; R177-T213 PolarHBondContact O-OG1 3.05Å; R177-D451 WeakPolarHBondContact CA-OD2 3.44Å; R177-D451 WeakPolarHBondContact CB-OD2 3.36Å; R177-D451 PolarHBondContact N-OD2 3.14Å; R177-M452 HydrophobicContact CB-CE 3.99Å
178	H	90.5	Very high	86.7	Confident	24 Å²	24	48.1 Å²	48.1	11%	0.111	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	126.9	-167.9	-163.3	-71.5	0	0	0	113.6	T213 N235 D451 M452 F457	H178-T213 WeakPolarHBondContact CA-O 3.32Å; H178-N235 PolarHBondContact CE1-O 3.39Å; H178-N235 PolarHBondContact ND1-O 2.98Å; H178-D451 PolarHBondContact N-OD2 2.9Å; H178-D451 VanDerWaalsContact N-OD2 3.15Å; H178-M452 HydrophobicContact CB-CE 3.98Å; H178-F457 HydrophobicContact CB-CE2 4.18Å; H178-F457 AromaticContact CG-CE2 3.75Å; H178-F457 AromaticContact ND1-CE2 3.76Å
179	V	93.9	Very high	84.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144	178.6	176.5	0	0	0	0	109.6	L181 L207 I212 T213 A214 Y215 V238 Y240	V179-L181 HydrophobicContact CG1-CD2 4.06Å; V179-L207 HydrophobicContact CB-CD1 4.38Å; V179-L207 HydrophobicContact CG1-CD1 4.19Å; V179-I212 HydrophobicContact CG2-CG2 4.1Å; V179-T213 PolarHBondContact N-O 2.87Å; V179-A214 CarbonylContact O-C 3.55Å; V179-A214 WeakPolarHBondContact O-CA 3.32Å; V179-Y215 PolarHBondContact O-N 2.95Å; V179-V238 HydrophobicContact CG2-CG1 4.42Å; V179-Y240 HydrophobicContact CG1-CD2 3.47Å; V179-Y240 VanDerWaalsContact CG1-CD2 3.47Å; V179-Y240 HydrophobicContact CG1-CE2 3.62Å
180	M	95.2	Very high	82.6	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	136.4	173.6	-171.1	172.7	-175.4	0	0	110.5	V182 Y215 Y217 I232 N235 V238 V239 Y240	M180-V182 HydrophobicContact CE-CG2 4.04Å; M180-V182 HydrophobicContact CG-CG2 4.12Å; M180-V182 HydrophobicContact SD-CG2 4.35Å; M180-Y215 CarbonylContact C-O 3.59Å; M180-Y215 WeakPolarHBondContact CA-O 3.45Å; M180-Y215 HydrophobicContact CE-CD1 4.04Å; M180-Y215 HydrophobicContact CE-CE1 4.14Å; M180-Y215 HydrophobicContact CG-CD1 4.23Å; M180-Y217 HydrophobicContact CE-CD1 4.09Å; M180-Y217 HydrophobicContact CE-CG 4.12Å; M180-I232 HydrophobicContact CE-CB 4.42Å; M180-I232 HydrophobicContact CE-CG1 3.77Å; M180-I232 HydrophobicContact SD-CB 4.13Å; M180-I232 HydrophobicContact SD-CG1 3.92Å; M180-I232 HydrophobicContact SD-CG2 4.18Å; M180-N235 HydrophobicContact SD-CB 4.33Å; M180-V238 PolarHBondContact N-O 3.03Å; M180-V239 HydrophobicContact CB-CG1 4.31Å; M180-V239 HydrophobicContact CB-CG2 4.36Å; M180-V239 HydrophobicContact CG-CG1 4.45Å; M180-V239 CarbonylContact O-C 3.54Å; M180-V239 WeakPolarHBondContact O-CA 3.49Å; M180-Y240 PolarHBondContact O-N 3.46Å
181	L	95.9	Very high	80.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	114.1	178.4	-54.4	178.8	0	0	0	108.9	V179 V200 V203 Y204 A214 Y215 D216 Y217 Y240	V179-L181 HydrophobicContact CG1-CD2 4.06Å; L181-V200 HydrophobicContact CB-CG1 3.61Å; L181-V200 HydrophobicContact CD1-CG1 3.71Å; L181-V200 HydrophobicContact CG-CG1 4.15Å; L181-V203 HydrophobicContact CD2-CG1 4Å; L181-Y204 HydrophobicContact CD1-CD2 3.81Å; L181-Y204 HydrophobicContact CD1-CG 4.26Å; L181-A214 HydrophobicContact CD1-CB 4.04Å; L181-A214 HydrophobicContact CG-CB 4.45Å; L181-Y215 PolarHBondContact N-O 3.21Å; L181-D216 CarbonylContact O-C 3.59Å; L181-D216 WeakPolarHBondContact O-CA 3.46Å; L181-Y217 PolarHBondContact O-N 3.17Å; L181-Y240 HydrophobicContact CD2-CD2 3.89Å; L181-Y240 HydrophobicContact CD2-CG 4.04Å
182	V	95	Very high	79.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.7	-178.9	-177.6	0	0	0	0	108.7	M180 Y217 L219 I232 V239 Y240 V241 C242	M180-V182 HydrophobicContact CE-CG2 4.04Å; M180-V182 HydrophobicContact CG-CG2 4.12Å; M180-V182 HydrophobicContact SD-CG2 4.35Å; V182-Y217 WeakPolarHBondContact CA-O 3.47Å; V182-Y217 HydrophobicContact CG1-CD1 4.21Å; V182-Y217 HydrophobicContact CG2-CD1 4.4Å; V182-L219 HydrophobicContact CG1-CD1 3.66Å; V182-L219 HydrophobicContact CG1-CD2 4.33Å; V182-L219 HydrophobicContact CG1-CG 3.83Å; V182-I232 HydrophobicContact CG2-CD1 4.24Å; V182-I232 HydrophobicContact CG2-CG1 4.18Å; V182-V239 HydrophobicContact CB-CG1 4.46Å; V182-V239 HydrophobicContact CG2-CG1 3.63Å; V182-Y240 PolarHBondContact N-O 3.49Å; V182-V241 HydrophobicContact CB-CG2 4.37Å; V182-V241 CarbonylContact O-C 3.3Å; V182-V241 WeakPolarHBondContact O-CA 3.49Å; V182-C242 PolarHBondContact O-N 2.95Å
183	Y	93.3	Very high	78.6	Confident	20 Å²	20	54.9 Å²	54.9	8%	0.078	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.5	179.1	60.7	-81.3	0	0	0	112.6	D185 Y197 V200 D216 Y217 S218 L219 C242	Y183-D185 HydrophobicContact CD2-CB 4.17Å; Y183-D185 HydrophobicContact CE2-CB 3.91Å; Y183-Y197 AromaticContact CE2-CD2 3.88Å; Y183-Y197 HydrophobicContact CE2-CD2 3.88Å; Y183-V200 HydrophobicContact CD1-CB 4.26Å; Y183-V200 HydrophobicContact CD1-CG1 3.95Å; Y183-V200 HydrophobicContact CD1-CG2 4.37Å; Y183-V200 HydrophobicContact CE1-CG1 4.43Å; Y183-V200 HydrophobicContact CG-CB 4.48Å; Y183-V200 HydrophobicContact CG-CG2 4.39Å; Y183-D216 HydrophobicContact CE1-CB 4.2Å; Y183-Y217 PolarHBondContact N-O 3.44Å; Y183-Y217 VanDerWaalsContact N-O 3.09Å; Y183-S218 CarbonylContact O-C 3.59Å; Y183-S218 WeakPolarHBondContact O-CA 3.39Å; Y183-L219 PolarHBondContact O-N 3.14Å; Y183-C242 WeakPolarHBondContact CA-O 3.3Å
184	T	89.9	Confident	78.4	Confident	6 Å²	6	57.1 Å²	57.1	4%	0.037	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.6	172	-54.5	0	0	0	0	110	Y196 C242 C243 I247	T184-Y196 WeakPolarHBondContact O-CB 3.44Å; T184-C242 PolarHBondContact N-O 3.43Å; T184-C243 WeakPolarHBondContact OG1-CB 3.18Å; T184-I247 HydrophobicContact CG2-CD1 4.49Å
185	D	80.5	Confident	78.1	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.134	27%	0.271	C	S	.	.			trans	-127.2	102.4	175.6	-164.9	14.7	0	0	0	110.3	Y183 N187 R194 L219	Y183-D185 HydrophobicContact CD2-CB 4.17Å; Y183-D185 HydrophobicContact CE2-CB 3.91Å; D185-N187 VanDerWaalsContact C-N 3.28Å; D185-N187 PolarHBondContact O-N 3.19Å; D185-R194 VanDerWaalsContact CG-NH2 3.32Å; D185-R194 IonicContact OD1-CZ 2.95Å; D185-R194 IonicContact OD1-NE 3.47Å; D185-R194 PolarHBondContact OD1-NE 3.17Å; D185-R194 IonicContact OD1-NH2 2.75Å; D185-R194 PolarHBondContact OD1-NH2 3.14Å; D185-R194 IonicContact OD2-CZ 3.33Å; D185-R194 IonicContact OD2-NE 3.1Å; D185-R194 IonicContact OD2-NH2 3.36Å; D185-R194 PolarHBondContact OD2-NH2 3.06Å; D185-L219 PolarHBondContact N-O 3.48Å
186	N	65.9	Low	78	Confident	69 Å²	69	56 Å²	56	37%	0.369	28%	0.283	S	S	.	.			trans	-84.8	76.2	179.6	-71.9	-8.1	0	0	0	109.2	K188 D189 T221	N186-K188 PolarHBondContact O-N 3.07Å; N186-D189 PolarHBondContact O-N 3.3Å; N186-T221 HydrophobicContact CB-CG2 4.39Å; N186-T221 WeakPolarHBondContact OD1-CG2 3.49Å
187	N	55.8	Low	78	Confident	141 Å²	141	56 Å²	56	75%	0.754	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	4.7	179.7	-128.7	0.3	0	0	0	114.5	D185	D185-N187 VanDerWaalsContact C-N 3.28Å; D185-N187 PolarHBondContact O-N 3.19Å
188	K	48.4	Very low	78.2	Confident	150 Å²	150	49.2 Å²	49.2	65%	0.652	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-22	-177.3	-74	178.6	178.9	163.8	0	113.5	N186 T221	N186-K188 PolarHBondContact O-N 3.07Å; K188-T221 PolarHBondContact NZ-OG1 3.33Å
189	D	49.4	Very low	78.3	Confident	98 Å²	98	48.3 Å²	48.3	52%	0.524	25%	0.25	S	S	.	.			trans	-110.2	95.2	178.8	-62.6	-33.4	0	0	0	109.4	N186 N191 S192	N186-D189 PolarHBondContact O-N 3.3Å; D189-N191 PolarHBondContact O-N 3.27Å; D189-S192 PolarHBondContact O-N 3.36Å
190	S	49.5	Very low	78.3	Confident	119 Å²	119	48.6 Å²	48.6	83%	0.832	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-2.7	174.6	58.1	0	0	0	0	114.4
191	N	53.8	Low	78.2	Confident	62 Å²	62	50.6 Å²	50.6	33%	0.332	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	5.1	-174.9	-66.4	-8.8	0	0	0	113.9	N87 D189	N87-N191 PolarHBondContact ND2-ND2 3.45Å; D189-N191 PolarHBondContact O-N 3.27Å
192	S	64.9	Low	78	Confident	42 Å²	42	50.6 Å²	50.6	29%	0.294	26%	0.261	S	S	.	.	S	Bend	trans	-92.8	142.4	179.4	-174.7	0	0	0	0	111.9	F120 D189 R194	F120-S192 WeakPolarHBondContact CE2-O 3.19Å; D189-S192 PolarHBondContact O-N 3.36Å; S192-R194 PolarHBondContact O-N 3.04Å
193	D	74.2	Confident	78	Confident	6 Å²	6	50.6 Å²	50.6	3%	0.032	26%	0.261	C	S	.	.			trans	-68.4	4	-175.6	-146	25.3	0	0	0	114.5	C118 E119 F120 F198	C118-D193 WeakPolarHBondContact CA-OD2 3.32Å; C118-D193 WeakPolarHBondContact CB-OD2 3.26Å; C118-D193 PolarHBondContact SG-OD2 3.29Å; C118-D193 VanDerWaalsContact SG-OD2 3.33Å; E119-D193 VanDerWaalsContact N-CG 3.35Å; E119-D193 PolarHBondContact N-OD1 3.26Å; E119-D193 PolarHBondContact N-OD2 3.25Å; E119-D193 VanDerWaalsContact N-OD2 3.08Å; F120-D193 PolarHBondContact N-OD1 3.24Å; F120-D193 VanDerWaalsContact N-OD1 3.08Å; D193-F198 VanDerWaalsContact O-CD2 3.29Å; D193-F198 WeakPolarHBondContact O-CD2 3.5Å; D193-F198 WeakPolarHBondContact O-CE2 3.45Å
194	R	86.1	Confident	78.1	Confident	67 Å²	67	53.3 Å²	53.3	25%	0.253	27%	0.272	S	S	.	.			trans	41.8	54.4	179.6	-64.5	179.1	72.1	-143.5	4	113.5	F120 D185 S192 Y196 Y197 F198	F120-R194 HydrophobicContact CE2-CB 4.45Å; F120-R194 HydrophobicContact CE2-CG 4.27Å; D185-R194 VanDerWaalsContact CG-NH2 3.32Å; D185-R194 IonicContact OD1-CZ 2.95Å; D185-R194 IonicContact OD1-NE 3.47Å; D185-R194 PolarHBondContact OD1-NE 3.17Å; D185-R194 IonicContact OD1-NH2 2.75Å; D185-R194 PolarHBondContact OD1-NH2 3.14Å; D185-R194 IonicContact OD2-CZ 3.33Å; D185-R194 IonicContact OD2-NE 3.1Å; D185-R194 IonicContact OD2-NH2 3.36Å; D185-R194 PolarHBondContact OD2-NH2 3.06Å; S192-R194 PolarHBondContact O-N 3.04Å; R194-Y196 VanDerWaalsContact C-N 3.32Å; R194-Y196 PolarHBondContact O-N 3.14Å; R194-Y197 VanDerWaalsContact NH2-CD2 3.32Å; R194-Y197 PolarHBondContact O-N 2.94Å; R194-Y197 VanDerWaalsContact O-N 3.15Å; R194-F198 HydrophobicContact CB-CD2 4.42Å; R194-F198 HydrophobicContact CB-CE2 4.29Å; R194-F198 WeakPolarHBondContact O-CD2 3.16Å; R194-F198 PolarHBondContact O-N 3.45Å
195	P	85.7	Confident	78.2	Confident	47 Å²	47	55 Å²	55	31%	0.305	28%	0.279	S	S	.	.	H	α-helix	trans	-61.4	-36.3	-170.2	24.3	-35	0	0	0	113.5	T199	P195-T199 WeakPolarHBondContact O-CB 3.35Å; P195-T199 PolarHBondContact O-N 3.21Å; P195-T199 VanDerWaalsContact O-N 3.12Å; P195-T199 PolarHBondContact O-OG1 2.64Å
196	Y	90.6	Very high	78.7	Confident	65 Å²	65	55.6 Å²	55.6	26%	0.255	28%	0.282	S	S	.	.	H	α-helix	trans	-70.5	-35.7	-179.8	-53.4	-59	0	0	0	112.7	T184 R194 V200 P244	T184-Y196 WeakPolarHBondContact O-CB 3.44Å; R194-Y196 VanDerWaalsContact C-N 3.32Å; R194-Y196 PolarHBondContact O-N 3.14Å; Y196-V200 PolarHBondContact O-N 2.64Å; Y196-P244 HydrophobicContact CE2-CG 4.11Å; Y196-P244 WeakPolarHBondContact OH-CG 3.23Å
197	Y	91.2	Very high	79.9	Confident	70 Å²	70	52.3 Å²	52.3	28%	0.275	26%	0.264	S	S	.	.	H	α-helix	trans	-65.4	-53.2	177	171.3	-91.1	0	0	0	110.6	Y183 R194 T199 V200 E201	Y183-Y197 AromaticContact CE2-CD2 3.88Å; Y183-Y197 HydrophobicContact CE2-CD2 3.88Å; R194-Y197 VanDerWaalsContact NH2-CD2 3.32Å; R194-Y197 PolarHBondContact O-N 2.94Å; R194-Y197 VanDerWaalsContact O-N 3.15Å; Y197-T199 VanDerWaalsContact C-N 3.26Å; Y197-T199 PolarHBondContact O-N 2.77Å; Y197-V200 PolarHBondContact O-N 3.38Å; Y197-V200 VanDerWaalsContact O-N 3.14Å; Y197-E201 HydrophobicContact CE1-CB 4.5Å; Y197-E201 WeakPolarHBondContact O-CB 3.49Å; Y197-E201 PolarHBondContact O-N 2.92Å
198	F	91.8	Very high	81.5	Confident	22 Å²	22	51 Å²	51	10%	0.096	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-31.3	-178.6	-70.6	-59.3	0	0	0	112.8	E119 F120 A143 H159 D193 R194 E201 G202	E119-F198 HydrophobicContact CB-CD2 3.99Å; E119-F198 HydrophobicContact CB-CE2 3.8Å; E119-F198 HydrophobicContact CB-CZ 4.35Å; E119-F198 HydrophobicContact CG-CD2 3.91Å; E119-F198 HydrophobicContact CG-CE2 4.25Å; E119-F198 HydrophobicContact CG-CG 4.3Å; F120-F198 HydrophobicContact CE1-CZ 4.12Å; F120-F198 HydrophobicContact CE2-CE2 4.06Å; F120-F198 HydrophobicContact CE2-CZ 4.44Å; F120-F198 AromaticContact CZ-CE2 3.99Å; F120-F198 HydrophobicContact CZ-CE2 3.99Å; F120-F198 AromaticContact CZ-CZ 3.91Å; F120-F198 HydrophobicContact CZ-CZ 3.91Å; A143-F198 HydrophobicContact CB-CD1 3.76Å; A143-F198 HydrophobicContact CB-CE1 4.19Å; A143-F198 HydrophobicContact CB-CG 4.2Å; H159-F198 VanDerWaalsContact CD2-C 3.41Å; H159-F198 PolarHBondContact CD2-O 3Å; H159-F198 VanDerWaalsContact CD2-O 3.22Å; D193-F198 VanDerWaalsContact O-CD2 3.29Å; D193-F198 WeakPolarHBondContact O-CD2 3.5Å; D193-F198 WeakPolarHBondContact O-CE2 3.45Å; R194-F198 HydrophobicContact CB-CD2 4.42Å; R194-F198 HydrophobicContact CB-CE2 4.29Å; R194-F198 WeakPolarHBondContact O-CD2 3.16Å; R194-F198 PolarHBondContact O-N 3.45Å; F198-E201 WeakPolarHBondContact CD1-OE2 3.49Å; F198-E201 PolarHBondContact O-N 2.98Å; F198-G202 PolarHBondContact O-N 3.28Å
199	T	92.6	Very high	83.4	Confident	5 Å²	5	48.4 Å²	48.4	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-62.1	-46.7	173.5	-61.2	0	0	0	0	111.5	H159 L162 P195 Y197 I270 L272	H159-T199 PolarHBondContact CE1-OG1 2.88Å; L162-T199 HydrophobicContact CD2-CG2 3.51Å; P195-T199 WeakPolarHBondContact O-CB 3.35Å; P195-T199 PolarHBondContact O-N 3.21Å; P195-T199 VanDerWaalsContact O-N 3.12Å; P195-T199 PolarHBondContact O-OG1 2.64Å; Y197-T199 VanDerWaalsContact C-N 3.26Å; Y197-T199 PolarHBondContact O-N 2.77Å; T199-I270 HydrophobicContact CG2-CB 4.42Å; T199-I270 HydrophobicContact CG2-CD1 4.34Å; T199-I270 HydrophobicContact CG2-CG2 3.51Å; T199-L272 HydrophobicContact CG2-CD1 3.92Å
200	V	93.7	Very high	85.3	Confident	5 Å²	5	48.3 Å²	48.3	3%	0.03	24%	0.238	C	C	.	.	H	α-helix	trans	-74	-32.9	179.3	170.5	0	0	0	0	112.4	L181 Y183 Y196 Y197 G202 V203 Y204 C242	L181-V200 HydrophobicContact CB-CG1 3.61Å; L181-V200 HydrophobicContact CD1-CG1 3.71Å; L181-V200 HydrophobicContact CG-CG1 4.15Å; Y183-V200 HydrophobicContact CD1-CB 4.26Å; Y183-V200 HydrophobicContact CD1-CG1 3.95Å; Y183-V200 HydrophobicContact CD1-CG2 4.37Å; Y183-V200 HydrophobicContact CE1-CG1 4.43Å; Y183-V200 HydrophobicContact CG-CB 4.48Å; Y183-V200 HydrophobicContact CG-CG2 4.39Å; Y196-V200 PolarHBondContact O-N 2.64Å; Y197-V200 PolarHBondContact O-N 3.38Å; Y197-V200 VanDerWaalsContact O-N 3.14Å; V200-G202 VanDerWaalsContact C-N 3.28Å; V200-G202 PolarHBondContact O-N 2.8Å; V200-V203 PolarHBondContact O-N 2.77Å; V200-V203 VanDerWaalsContact O-N 3.14Å; V200-Y204 WeakPolarHBondContact O-CB 3.49Å; V200-Y204 PolarHBondContact O-N 3.38Å; V200-C242 HydrophobicContact CG2-CB 3.69Å
201	E	93.9	Very high	87.2	Confident	43 Å²	43	49.9 Å²	49.9	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-54.8	-44.2	174.3	-178.3	-173.7	-117.1	0	0	111.6	I144 Y197 F198 V203 Y204 E205	I144-E201 HydrophobicContact CG2-CG 4.24Å; Y197-E201 HydrophobicContact CE1-CB 4.5Å; Y197-E201 WeakPolarHBondContact O-CB 3.49Å; Y197-E201 PolarHBondContact O-N 2.92Å; F198-E201 WeakPolarHBondContact CD1-OE2 3.49Å; F198-E201 PolarHBondContact O-N 2.98Å; E201-V203 VanDerWaalsContact C-N 3.32Å; E201-V203 PolarHBondContact O-N 2.92Å; E201-Y204 PolarHBondContact O-N 3.48Å; E201-E205 PolarHBondContact O-N 3.4Å
202	G	92.3	Very high	89	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-39.2	177.8	0	0	0	0	0	113.3	H159 F198 V200 M206	H159-G202 WeakPolarHBondContact O-CA 3.35Å; F198-G202 PolarHBondContact O-N 3.28Å; V200-G202 VanDerWaalsContact C-N 3.28Å; V200-G202 PolarHBondContact O-N 2.8Å; G202-M206 WeakPolarHBondContact O-CG 3.23Å
203	V	94.6	Very high	90.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-46.5	174.6	-178.9	0	0	0	0	110.5	L162 L181 V200 E201 E205 M206 L207 I270	L162-V203 HydrophobicContact CD2-CG2 3.98Å; L162-V203 HydrophobicContact CG-CG2 3.96Å; L181-V203 HydrophobicContact CD2-CG1 4Å; V200-V203 PolarHBondContact O-N 2.77Å; V200-V203 VanDerWaalsContact O-N 3.14Å; E201-V203 VanDerWaalsContact C-N 3.32Å; E201-V203 PolarHBondContact O-N 2.92Å; V203-E205 PolarHBondContact O-N 2.98Å; V203-M206 PolarHBondContact O-N 3.48Å; V203-L207 HydrophobicContact CG1-CD1 3.71Å; V203-L207 HydrophobicContact CG1-CG 4.2Å; V203-L207 VanDerWaalsContact O-CG 3.27Å; V203-L207 WeakPolarHBondContact O-CG 3.46Å; V203-L207 PolarHBondContact O-N 2.87Å; V203-L207 VanDerWaalsContact O-N 3.08Å; V203-I270 HydrophobicContact CG2-CD1 4.4Å
204	Y	94.8	Very high	91	Very high	77 Å²	77	49.7 Å²	49.7	30%	0.302	24%	0.238	S	C	.	.	H	α-helix	trans	-57	-50.7	-178.3	178.8	-96.6	0	0	0	112.6	L181 V200 E201 M206 L207 R208 A214	L181-Y204 HydrophobicContact CD1-CD2 3.81Å; L181-Y204 HydrophobicContact CD1-CG 4.26Å; V200-Y204 WeakPolarHBondContact O-CB 3.49Å; V200-Y204 PolarHBondContact O-N 3.38Å; E201-Y204 PolarHBondContact O-N 3.48Å; Y204-M206 PolarHBondContact O-N 2.82Å; Y204-L207 PolarHBondContact O-N 3.21Å; Y204-R208 WeakPolarHBondContact O-CB 3.36Å; Y204-R208 PolarHBondContact O-N 3.43Å; Y204-A214 HydrophobicContact CD2-CB 3.7Å; Y204-A214 HydrophobicContact CE2-CB 3.96Å
205	E	91.9	Very high	91.2	Very high	41 Å²	41	50.9 Å²	50.9	19%	0.192	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-43.1	-177.8	-74.7	-72.3	135.4	0	0	111.7	I144 E201 V203 L207 R208 D209	I144-E205 HydrophobicContact CD1-CB 3.71Å; I144-E205 HydrophobicContact CD1-CG 4.13Å; E201-E205 PolarHBondContact O-N 3.4Å; V203-E205 PolarHBondContact O-N 2.98Å; E205-L207 PolarHBondContact O-N 3.14Å; E205-R208 PolarHBondContact O-N 2.66Å; E205-R208 IonicContact OE1-CZ 2.97Å; E205-R208 VanDerWaalsContact OE1-CZ 3.27Å; E205-R208 IonicContact OE1-NH1 3.37Å; E205-R208 PolarHBondContact OE1-NH1 2.94Å; E205-R208 IonicContact OE1-NH2 2.92Å; E205-R208 PolarHBondContact OE1-NH2 3.47Å; E205-R208 IonicContact OE2-CZ 2.82Å; E205-R208 IonicContact OE2-NH1 2.67Å; E205-R208 IonicContact OE2-NH2 2.74Å; E205-R208 PolarHBondContact OE2-NH2 2.9Å; E205-D209 PolarHBondContact O-N 3.44Å
206	M	90.9	Very high	91.4	Very high	39 Å²	39	52.5 Å²	52.5	19%	0.192	25%	0.249	C	C	.	.	H	α-helix	trans	-67.1	-36	179.3	-70.2	-61.1	98	0	0	113.3	I144 G202 V203 Y204	I144-M206 HydrophobicContact CD1-CE 4.04Å; G202-M206 WeakPolarHBondContact O-CG 3.23Å; V203-M206 PolarHBondContact O-N 3.48Å; Y204-M206 PolarHBondContact O-N 2.82Å
207	L	90.9	Very high	91.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-72.6	-38	175.6	-63.9	-179.8	0	0	0	112	L167 V179 V203 Y204 E205 D209 Q210 N211 I212	L167-L207 HydrophobicContact CD1-CD2 4.34Å; V179-L207 HydrophobicContact CB-CD1 4.38Å; V179-L207 HydrophobicContact CG1-CD1 4.19Å; V203-L207 HydrophobicContact CG1-CD1 3.71Å; V203-L207 HydrophobicContact CG1-CG 4.2Å; V203-L207 VanDerWaalsContact O-CG 3.27Å; V203-L207 WeakPolarHBondContact O-CG 3.46Å; V203-L207 PolarHBondContact O-N 2.87Å; V203-L207 VanDerWaalsContact O-N 3.08Å; Y204-L207 PolarHBondContact O-N 3.21Å; E205-L207 PolarHBondContact O-N 3.14Å; L207-D209 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 3.12Å; L207-Q210 PolarHBondContact O-N 3.5Å; L207-Q210 VanDerWaalsContact O-N 3.15Å; L207-N211 PolarHBondContact O-N 3.41Å; L207-I212 HydrophobicContact CB-CB 4.32Å; L207-I212 HydrophobicContact CD2-CD1 4Å; L207-I212 PolarHBondContact O-N 3.43Å; L207-I212 VanDerWaalsContact O-N 3.13Å
208	R	89.4	Confident	91.5	Very high	114 Å²	114	49.9 Å²	49.9	43%	0.43	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-40.9	176.6	-165.3	-175.1	77.8	-147.2	-11.9	111.6	Y204 E205 Q210 N211	Y204-R208 WeakPolarHBondContact O-CB 3.36Å; Y204-R208 PolarHBondContact O-N 3.43Å; E205-R208 PolarHBondContact O-N 2.66Å; E205-R208 IonicContact OE1-CZ 2.97Å; E205-R208 VanDerWaalsContact OE1-CZ 3.27Å; E205-R208 IonicContact OE1-NH1 3.37Å; E205-R208 PolarHBondContact OE1-NH1 2.94Å; E205-R208 IonicContact OE1-NH2 2.92Å; E205-R208 PolarHBondContact OE1-NH2 3.47Å; E205-R208 IonicContact OE2-CZ 2.82Å; E205-R208 IonicContact OE2-NH1 2.67Å; E205-R208 IonicContact OE2-NH2 2.74Å; E205-R208 PolarHBondContact OE2-NH2 2.9Å; R208-Q210 PolarHBondContact O-N 3.19Å; R208-Q210 VanDerWaalsContact O-N 3.11Å; R208-N211 PolarHBondContact O-N 3.26Å
209	D	89.5	Confident	91.3	Very high	94 Å²	94	48.9 Å²	48.9	50%	0.503	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-19.3	177.1	-76.2	-8.2	0	0	0	113	E205 L207	E205-D209 PolarHBondContact O-N 3.44Å; L207-D209 VanDerWaalsContact C-N 3.34Å; L207-D209 PolarHBondContact O-N 3.12Å
210	Q	88.4	Confident	90.7	Very high	97 Å²	97	55.4 Å²	55.4	45%	0.453	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.1	176	-61.8	-63.7	-48.7	0	0	113.9	L167 L207 R208 I212	L167-Q210 HydrophobicContact CD1-CB 4.12Å; L167-Q210 HydrophobicContact CD1-CG 3.69Å; L167-Q210 HydrophobicContact CD2-CG 3.68Å; L167-Q210 HydrophobicContact CG-CG 4.34Å; L207-Q210 PolarHBondContact O-N 3.5Å; L207-Q210 VanDerWaalsContact O-N 3.15Å; R208-Q210 PolarHBondContact O-N 3.19Å; R208-Q210 VanDerWaalsContact O-N 3.11Å; Q210-I212 VanDerWaalsContact C-N 3.27Å; Q210-I212 HydrophobicContact CB-CD1 4.42Å; Q210-I212 HydrophobicContact CB-CG1 4.37Å; Q210-I212 PolarHBondContact O-N 3.33Å
211	N	90.6	Very high	89.5	Confident	151 Å²	151	58.3 Å²	58.3	81%	0.807	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	25.9	-177.8	-63.9	-35.3	0	0	0	115.3	L207 R208	L207-N211 PolarHBondContact O-N 3.41Å; R208-N211 PolarHBondContact O-N 3.26Å
212	I	90.5	Very high	88.7	Confident	7 Å²	7	62.8 Å²	62.8	4%	0.036	32%	0.316	C	S	.	.			trans	-84.1	132.9	172.3	-56	175	0	0	0	108.1	L167 M176 V179 L207 Q210 A214	L167-I212 HydrophobicContact CD1-CD1 4.19Å; M176-I212 HydrophobicContact CE-CD1 3.96Å; M176-I212 HydrophobicContact CE-CG1 4.37Å; M176-I212 HydrophobicContact SD-CD1 3.99Å; V179-I212 HydrophobicContact CG2-CG2 4.1Å; L207-I212 HydrophobicContact CB-CB 4.32Å; L207-I212 HydrophobicContact CD2-CD1 4Å; L207-I212 PolarHBondContact O-N 3.43Å; L207-I212 VanDerWaalsContact O-N 3.13Å; Q210-I212 VanDerWaalsContact C-N 3.27Å; Q210-I212 HydrophobicContact CB-CD1 4.42Å; Q210-I212 HydrophobicContact CB-CG1 4.37Å; Q210-I212 PolarHBondContact O-N 3.33Å; I212-A214 PolarHBondContact O-N 3.33Å
213	T	90.1	Very high	88.3	Confident	82 Å²	82	64.2 Å²	64.2	50%	0.503	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	111.5	-179.6	-54.8	0	0	0	0	109.5	R177 H178 V179	R177-T213 WeakPolarHBondContact O-CB 3.48Å; R177-T213 PolarHBondContact O-N 3.48Å; R177-T213 PolarHBondContact O-OG1 3.05Å; H178-T213 WeakPolarHBondContact CA-O 3.32Å; V179-T213 PolarHBondContact N-O 2.87Å
214	A	91.2	Very high	88.1	Confident	17 Å²	17	69 Å²	69	14%	0.14	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.6	175.4	0	0	0	0	0	110.3	V179 L181 Y204 I212	V179-A214 CarbonylContact O-C 3.55Å; V179-A214 WeakPolarHBondContact O-CA 3.32Å; L181-A214 HydrophobicContact CD1-CB 4.04Å; L181-A214 HydrophobicContact CG-CB 4.45Å; Y204-A214 HydrophobicContact CD2-CB 3.7Å; Y204-A214 HydrophobicContact CE2-CB 3.96Å; I212-A214 PolarHBondContact O-N 3.33Å
215	Y	90.6	Very high	87.9	Confident	93 Å²	93	68.1 Å²	68.1	37%	0.365	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	118.9	175.4	-176	-88.3	0	0	0	110.1	V179 M180 L181 N235	V179-Y215 PolarHBondContact O-N 2.95Å; M180-Y215 CarbonylContact C-O 3.59Å; M180-Y215 WeakPolarHBondContact CA-O 3.45Å; M180-Y215 HydrophobicContact CE-CD1 4.04Å; M180-Y215 HydrophobicContact CE-CE1 4.14Å; M180-Y215 HydrophobicContact CG-CD1 4.23Å; L181-Y215 PolarHBondContact N-O 3.21Å; Y215-N235 HydrophobicContact CD1-CB 4.23Å; Y215-N235 HydrophobicContact CE1-CB 4.38Å
216	D	90.9	Very high	87.9	Confident	80 Å²	80	72 Å²	72	43%	0.428	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141.5	-178.3	71	-62.7	0	0	0	112.6	L181 Y183	L181-D216 CarbonylContact O-C 3.59Å; L181-D216 WeakPolarHBondContact O-CA 3.46Å; Y183-D216 HydrophobicContact CE1-CB 4.2Å
217	Y	91.6	Very high	87.9	Confident	29 Å²	29	73.6 Å²	73.6	11%	0.114	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	111.2	178.3	179.6	-128.2	0	0	0	111.5	M180 L181 V182 Y183 L219 A228 K231	M180-Y217 HydrophobicContact CE-CD1 4.09Å; M180-Y217 HydrophobicContact CE-CG 4.12Å; L181-Y217 PolarHBondContact O-N 3.17Å; V182-Y217 WeakPolarHBondContact CA-O 3.47Å; V182-Y217 HydrophobicContact CG1-CD1 4.21Å; V182-Y217 HydrophobicContact CG2-CD1 4.4Å; Y183-Y217 PolarHBondContact N-O 3.44Å; Y183-Y217 VanDerWaalsContact N-O 3.09Å; Y217-L219 HydrophobicContact CD1-CD2 4.25Å; Y217-L219 HydrophobicContact CE1-CD2 3.58Å; Y217-A228 HydrophobicContact CE1-CB 4.09Å; Y217-K231 HydrophobicContact CD2-CD 4.07Å; Y217-K231 HydrophobicContact CE1-CD 4.21Å; Y217-K231 HydrophobicContact CE2-CD 3.49Å; Y217-K231 VanDerWaalsContact CE2-CD 3.49Å; Y217-K231 VanDerWaalsContact CE2-NZ 3.29Å
218	S	90.3	Very high	88	Confident	51 Å²	51	73.6 Å²	73.6	36%	0.357	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	127.6	174.7	60.7	0	0	0	0	111.7	Y183	Y183-S218 CarbonylContact O-C 3.59Å; Y183-S218 WeakPolarHBondContact O-CA 3.39Å
219	L	87.6	Confident	88.2	Confident	2 Å²	2	68.3 Å²	68.3	1%	0.01	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	122.7	169.2	-63.9	171.4	0	0	0	109.2	V182 Y183 D185 Y217 I223 A228 I247	V182-L219 HydrophobicContact CG1-CD1 3.66Å; V182-L219 HydrophobicContact CG1-CD2 4.33Å; V182-L219 HydrophobicContact CG1-CG 3.83Å; Y183-L219 PolarHBondContact O-N 3.14Å; D185-L219 PolarHBondContact N-O 3.48Å; Y217-L219 HydrophobicContact CD1-CD2 4.25Å; Y217-L219 HydrophobicContact CE1-CD2 3.58Å; L219-I223 HydrophobicContact CB-CD1 4.03Å; L219-I223 HydrophobicContact CB-CG1 4.32Å; L219-I223 HydrophobicContact CD1-CD1 4.33Å; L219-I223 HydrophobicContact CD2-CG2 4.16Å; L219-A228 HydrophobicContact CD2-CB 4.09Å; L219-I247 HydrophobicContact CD1-CG2 3.94Å
220	E	80.6	Confident	88.3	Confident	142 Å²	142	68.3 Å²	68.3	66%	0.664	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-78.2	163.3	175.8	-64.2	-179.6	-172.8	0	0	111.7	D222 I223	E220-D222 VanDerWaalsContact C-N 3.27Å; E220-D222 PolarHBondContact O-N 3.13Å; E220-I223 WeakPolarHBondContact O-CG1 3.2Å
221	T	69.3	Low	88.4	Confident	65 Å²	65	67.1 Å²	67.1	40%	0.399	34%	0.341	S	S	.	.	S	Bend	trans	-54.4	-35.1	177.8	47.6	0	0	0	0	114.8	N186 K188	N186-T221 HydrophobicContact CB-CG2 4.39Å; N186-T221 WeakPolarHBondContact OD1-CG2 3.49Å; K188-T221 PolarHBondContact NZ-OG1 3.33Å
222	D	77.5	Confident	88.6	Confident	137 Å²	137	60 Å²	60	73%	0.733	30%	0.303	S	S	*	.	S	Bend	trans	-102.2	79.6	176.5	-70.5	-42.1	0	0	0	110.3	E220 N224	E220-D222 VanDerWaalsContact C-N 3.27Å; E220-D222 PolarHBondContact O-N 3.13Å; D222-N224 PolarHBondContact O-N 3.49Å
223	I	82.6	Confident	88.5	Confident	31 Å²	31	64.7 Å²	64.7	16%	0.159	32%	0.32	C	S	.	.			trans	-73.7	117.9	-171.4	-55.1	174.7	0	0	0	111.6	L219 E220 Y225 I247	L219-I223 HydrophobicContact CB-CD1 4.03Å; L219-I223 HydrophobicContact CB-CG1 4.32Å; L219-I223 HydrophobicContact CD1-CD1 4.33Å; L219-I223 HydrophobicContact CD2-CG2 4.16Å; E220-I223 WeakPolarHBondContact O-CG1 3.2Å; I223-Y225 HydrophobicContact CB-CE1 4.34Å; I223-Y225 HydrophobicContact CB-CE2 4.34Å; I223-Y225 HydrophobicContact CD1-CE1 4.48Å; I223-Y225 HydrophobicContact CG2-CD1 3.84Å; I223-Y225 HydrophobicContact CG2-CD2 4.43Å; I223-Y225 HydrophobicContact CG2-CE1 3.91Å; I223-Y225 HydrophobicContact CG2-CE2 4.49Å; I223-Y225 HydrophobicContact CG2-CG 4.12Å; I223-Y225 PolarHBondContact O-N 3.44Å; I223-I247 HydrophobicContact CD1-CB 4.27Å; I223-I247 HydrophobicContact CD1-CD1 3.72Å; I223-I247 HydrophobicContact CD1-CG1 3.84Å; I223-I247 HydrophobicContact CD1-CG2 3.42Å; I223-I247 VanDerWaalsContact CD1-CG2 3.42Å
224	N	89.9	Confident	88.5	Confident	101 Å²	101	64.3 Å²	64.3	54%	0.54	32%	0.315	S	S	.	.			trans	-81.7	92.6	161.3	-172.8	-23.6	0	0	0	110.2	D222 K226 L227 A228	D222-N224 PolarHBondContact O-N 3.49Å; N224-K226 VanDerWaalsContact C-N 3.26Å; N224-K226 PolarHBondContact O-N 2.89Å; N224-K226 PolarHBondContact OD1-N 3.31Å; N224-L227 HydrophobicContact CB-CB 4.15Å; N224-L227 PolarHBondContact O-N 3.33Å; N224-L227 VanDerWaalsContact O-N 3.1Å; N224-L227 PolarHBondContact OD1-N 2.91Å; N224-A228 PolarHBondContact O-N 2.97Å
225	Y	91.5	Very high	88.4	Confident	58 Å²	58	65.1 Å²	65.1	23%	0.227	32%	0.317	C	S	.	.	H	α-helix	trans	-57.6	-34.7	-176.5	-67.4	-77.9	0	0	0	113.6	I223 L227 A228 V229 I247 N250 L251	I223-Y225 HydrophobicContact CB-CE1 4.34Å; I223-Y225 HydrophobicContact CB-CE2 4.34Å; I223-Y225 HydrophobicContact CD1-CE1 4.48Å; I223-Y225 HydrophobicContact CG2-CD1 3.84Å; I223-Y225 HydrophobicContact CG2-CD2 4.43Å; I223-Y225 HydrophobicContact CG2-CE1 3.91Å; I223-Y225 HydrophobicContact CG2-CE2 4.49Å; I223-Y225 HydrophobicContact CG2-CG 4.12Å; I223-Y225 PolarHBondContact O-N 3.44Å; Y225-L227 PolarHBondContact O-N 3.43Å; Y225-A228 PolarHBondContact O-N 3.03Å; Y225-V229 WeakPolarHBondContact O-CG2 3.5Å; Y225-V229 PolarHBondContact O-N 2.88Å; Y225-I247 HydrophobicContact CE1-CG2 4.46Å; Y225-N250 HydrophobicContact CD1-CB 4.22Å; Y225-N250 HydrophobicContact CE1-CB 3.56Å; Y225-N250 HydrophobicContact CE2-CB 4.02Å; Y225-N250 VanDerWaalsContact CZ-CB 3.43Å; Y225-N250 WeakPolarHBondContact OH-CB 3.45Å; Y225-N250 PolarHBondContact OH-ND2 2.87Å; Y225-L251 HydrophobicContact CD1-CB 4.2Å; Y225-L251 HydrophobicContact CD1-CD1 4.35Å; Y225-L251 HydrophobicContact CE1-CB 4.38Å
226	K	91.6	Very high	88.4	Confident	123 Å²	123	60.7 Å²	60.7	54%	0.535	30%	0.3	S	S	.	.	H	α-helix	trans	-62.9	-43.7	176.7	-76.1	-179.3	177.3	-178.5	0	111.9	N224 V229 Q230 Q254	N224-K226 VanDerWaalsContact C-N 3.26Å; N224-K226 PolarHBondContact O-N 2.89Å; N224-K226 PolarHBondContact OD1-N 3.31Å; K226-V229 PolarHBondContact O-N 3.2Å; K226-Q230 WeakPolarHBondContact O-CG 3.46Å; K226-Q230 PolarHBondContact O-N 3.01Å; K226-Q254 HydrophobicContact CG-CG 4.49Å; K226-Q254 VanDerWaalsContact CG-NE2 3.35Å
227	L	91.3	Very high	88.4	Confident	72 Å²	72	58.9 Å²	58.9	38%	0.377	29%	0.287	S	S	.	.	H	α-helix	trans	-67.6	-39.1	177.2	-175.7	67	0	0	0	111.2	N224 Y225 Q230 K231	N224-L227 HydrophobicContact CB-CB 4.15Å; N224-L227 PolarHBondContact O-N 3.33Å; N224-L227 VanDerWaalsContact O-N 3.1Å; N224-L227 PolarHBondContact OD1-N 2.91Å; Y225-L227 PolarHBondContact O-N 3.43Å; L227-Q230 PolarHBondContact O-N 3.16Å; L227-K231 WeakPolarHBondContact O-CG 3.34Å; L227-K231 PolarHBondContact O-N 3.48Å
228	A	92.2	Very high	88.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-46.6	176.1	0	0	0	0	0	111.6	Y217 L219 N224 Y225 Q230 K231 I232 L251	Y217-A228 HydrophobicContact CE1-CB 4.09Å; L219-A228 HydrophobicContact CD2-CB 4.09Å; N224-A228 PolarHBondContact O-N 2.97Å; Y225-A228 PolarHBondContact O-N 3.03Å; A228-Q230 PolarHBondContact O-N 3.02Å; A228-K231 PolarHBondContact O-N 3.15Å; A228-I232 VanDerWaalsContact O-CG1 3.29Å; A228-I232 WeakPolarHBondContact O-CG1 3.41Å; A228-I232 PolarHBondContact O-N 2.82Å; A228-L251 HydrophobicContact CB-CD1 3.91Å
229	V	93.6	Very high	88.9	Confident	3 Å²	3	55 Å²	55	2%	0.018	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-43.6	176.2	171.3	0	0	0	0	111.5	Y225 K226 I232 R233 L251 Q254 F255 V260	Y225-V229 WeakPolarHBondContact O-CG2 3.5Å; Y225-V229 PolarHBondContact O-N 2.88Å; K226-V229 PolarHBondContact O-N 3.2Å; V229-I232 PolarHBondContact O-N 3.1Å; V229-R233 VanDerWaalsContact O-CB 3.31Å; V229-R233 WeakPolarHBondContact O-CB 3.47Å; V229-R233 PolarHBondContact O-N 2.7Å; V229-L251 HydrophobicContact CG2-CD1 3.91Å; V229-Q254 HydrophobicContact CG2-CB 3.99Å; V229-Q254 HydrophobicContact CG2-CG 3.77Å; V229-F255 HydrophobicContact CB-CE2 4.37Å; V229-F255 HydrophobicContact CB-CZ 4.36Å; V229-F255 HydrophobicContact CG1-CD1 3.85Å; V229-F255 HydrophobicContact CG1-CD2 4.43Å; V229-F255 HydrophobicContact CG1-CE1 3.81Å; V229-F255 HydrophobicContact CG1-CE2 4.38Å; V229-F255 HydrophobicContact CG1-CG 4.15Å; V229-F255 HydrophobicContact CG1-CZ 4.06Å; V229-F255 HydrophobicContact CG2-CD2 3.66Å; V229-F255 HydrophobicContact CG2-CE2 3.73Å; V229-F255 HydrophobicContact CG2-CG 4.06Å; V229-F255 HydrophobicContact CG2-CZ 4.2Å; V229-V260 HydrophobicContact CG1-CG2 4.17Å
230	Q	91.6	Very high	89.3	Confident	94 Å²	94	55 Å²	55	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-59.5	-48.6	175.6	-74.4	175.1	-3.6	0	0	111.8	K226 L227 A228 I232 R233 D234	K226-Q230 WeakPolarHBondContact O-CG 3.46Å; K226-Q230 PolarHBondContact O-N 3.01Å; L227-Q230 PolarHBondContact O-N 3.16Å; A228-Q230 PolarHBondContact O-N 3.02Å; Q230-I232 VanDerWaalsContact C-N 3.33Å; Q230-I232 PolarHBondContact O-N 2.75Å; Q230-R233 PolarHBondContact O-N 2.79Å; Q230-D234 WeakPolarHBondContact O-CB 3.5Å; Q230-D234 PolarHBondContact O-N 2.72Å
231	K	91.9	Very high	90	Very high	72 Å²	72	48.2 Å²	48.2	31%	0.313	23%	0.232	S	C	.	.	H	α-helix	trans	-61.3	-40.9	178.6	-77.4	-179.3	176.7	-179.4	0	112.6	Y217 L227 A228 D234 N235	Y217-K231 HydrophobicContact CD2-CD 4.07Å; Y217-K231 HydrophobicContact CE1-CD 4.21Å; Y217-K231 HydrophobicContact CE2-CD 3.49Å; Y217-K231 VanDerWaalsContact CE2-CD 3.49Å; Y217-K231 VanDerWaalsContact CE2-NZ 3.29Å; L227-K231 WeakPolarHBondContact O-CG 3.34Å; L227-K231 PolarHBondContact O-N 3.48Å; A228-K231 PolarHBondContact O-N 3.15Å; K231-D234 PolarHBondContact O-N 2.99Å; K231-N235 WeakPolarHBondContact O-CB 3.09Å; K231-N235 PolarHBondContact O-N 3.01Å; K231-N235 VanDerWaalsContact O-N 3.13Å; K231-N235 PolarHBondContact O-ND2 2.78Å
232	I	93.1	Very high	91.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-67.9	-44.7	178.3	-65.9	164.5	0	0	0	110.3	M180 V182 A228 V229 Q230 D234 N235 G236 V239 L251 F255 F265 F267	M180-I232 HydrophobicContact CE-CB 4.42Å; M180-I232 HydrophobicContact CE-CG1 3.77Å; M180-I232 HydrophobicContact SD-CB 4.13Å; M180-I232 HydrophobicContact SD-CG1 3.92Å; M180-I232 HydrophobicContact SD-CG2 4.18Å; V182-I232 HydrophobicContact CG2-CD1 4.24Å; V182-I232 HydrophobicContact CG2-CG1 4.18Å; A228-I232 VanDerWaalsContact O-CG1 3.29Å; A228-I232 WeakPolarHBondContact O-CG1 3.41Å; A228-I232 PolarHBondContact O-N 2.82Å; V229-I232 PolarHBondContact O-N 3.1Å; Q230-I232 VanDerWaalsContact C-N 3.33Å; Q230-I232 PolarHBondContact O-N 2.75Å; I232-D234 PolarHBondContact O-N 3.02Å; I232-N235 PolarHBondContact O-N 3.1Å; I232-G236 PolarHBondContact O-N 3.36Å; I232-G236 VanDerWaalsContact O-O 3.08Å; I232-V239 HydrophobicContact CG2-CG1 4.38Å; I232-V239 HydrophobicContact CG2-CG2 3.75Å; I232-L251 HydrophobicContact CD1-CD1 4.21Å; I232-L251 HydrophobicContact CD1-CD2 3.94Å; I232-F255 HydrophobicContact CB-CZ 3.84Å; I232-F255 HydrophobicContact CD1-CE2 4.05Å; I232-F255 HydrophobicContact CD1-CZ 4.14Å; I232-F255 HydrophobicContact CG2-CZ 3.67Å; I232-F265 HydrophobicContact CG2-CE1 4.44Å; I232-F267 HydrophobicContact CG2-CE1 4.2Å
233	R	90.3	Very high	91.9	Very high	106 Å²	106	39 Å²	39	40%	0.4	18%	0.181	S	C	.	.	H	α-helix	trans	-58.3	-38.8	177	-174.8	-171	66.2	-167.5	-3.3	112.3	V229 Q230 R237 F265	V229-R233 VanDerWaalsContact O-CB 3.31Å; V229-R233 WeakPolarHBondContact O-CB 3.47Å; V229-R233 PolarHBondContact O-N 2.7Å; Q230-R233 PolarHBondContact O-N 2.79Å; R233-R237 PolarHBondContact O-NH1 2.81Å; R233-F265 HydrophobicContact CB-CZ 4.5Å; R233-F265 HydrophobicContact CG-CZ 4.32Å
234	D	89.1	Confident	92.3	Very high	75 Å²	75	39.5 Å²	39.5	40%	0.401	19%	0.187	S	C	.	.	H	α-helix	trans	-84.5	-15.3	-174.2	-61.1	-7.8	0	0	0	112.7	Q230 K231 I232 F457	Q230-D234 WeakPolarHBondContact O-CB 3.5Å; Q230-D234 PolarHBondContact O-N 2.72Å; K231-D234 PolarHBondContact O-N 2.99Å; I232-D234 PolarHBondContact O-N 3.02Å; D234-F457 WeakPolarHBondContact O-CB 3.17Å; D234-F457 WeakPolarHBondContact O-CD1 3.3Å
235	N	89.4	Confident	92.3	Very high	34 Å²	34	39.9 Å²	39.9	18%	0.182	18%	0.181	C	C	.	.	H	α-helix	trans	-130.2	-8	-174	-57.7	-67.3	0	0	0	115.4	H178 M180 Y215 K231 I232 F457	H178-N235 PolarHBondContact CE1-O 3.39Å; H178-N235 PolarHBondContact ND1-O 2.98Å; M180-N235 HydrophobicContact SD-CB 4.33Å; Y215-N235 HydrophobicContact CD1-CB 4.23Å; Y215-N235 HydrophobicContact CE1-CB 4.38Å; K231-N235 WeakPolarHBondContact O-CB 3.09Å; K231-N235 PolarHBondContact O-N 3.01Å; K231-N235 VanDerWaalsContact O-N 3.13Å; K231-N235 PolarHBondContact O-ND2 2.78Å; I232-N235 PolarHBondContact O-N 3.1Å; N235-F457 VanDerWaalsContact C-CE1 3.47Å
236	G	89.9	Confident	92.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.19	C	C	.	.			trans	-148.7	152.4	-175.9	0	0	0	0	0	114.7	I232 F265 F457	I232-G236 PolarHBondContact O-N 3.36Å; I232-G236 VanDerWaalsContact O-O 3.08Å; G236-F265 WeakPolarHBondContact O-CE1 3.36Å; G236-F457 VanDerWaalsContact N-CE1 3.28Å
237	R	92.4	Very high	92.2	Very high	41 Å²	41	36.5 Å²	36.5	16%	0.155	17%	0.172	C	C	.	.	S	Bend	trans	-125.5	-43.3	167.7	-69.2	-66.1	177.4	-81.8	0.6	110.8	R233 D264 F265 V266 V450 P453 F457	R233-R237 PolarHBondContact O-NH1 2.81Å; R237-D264 VanDerWaalsContact CD-O 3.26Å; R237-D264 WeakPolarHBondContact CD-O 3.35Å; R237-F265 WeakPolarHBondContact O-CA 3.19Å; R237-V266 PolarHBondContact O-N 3.19Å; R237-V450 VanDerWaalsContact CB-O 3.28Å; R237-V450 WeakPolarHBondContact CB-O 3.44Å; R237-P453 HydrophobicContact CG-CG 4.14Å; R237-F457 HydrophobicContact CG-CE1 4.13Å; R237-F457 HydrophobicContact CG-CZ 4.2Å
238	V	94.9	Very high	92.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	112.5	164.3	-178.5	0	0	0	0	108.4	W175 V179 M180 Y240 V266 L268 D451	W175-V238 HydrophobicContact CB-CG2 4.46Å; W175-V238 HydrophobicContact CD2-CG1 4.38Å; W175-V238 HydrophobicContact CD2-CG2 3.56Å; W175-V238 HydrophobicContact CE3-CG1 3.81Å; W175-V238 HydrophobicContact CE3-CG2 3.83Å; W175-V238 HydrophobicContact CG-CG2 3.85Å; W175-V238 HydrophobicContact CH2-CG2 4.49Å; W175-V238 HydrophobicContact CZ2-CG2 4.26Å; W175-V238 HydrophobicContact CZ3-CG1 4.03Å; W175-V238 HydrophobicContact CZ3-CG2 4.28Å; V179-V238 HydrophobicContact CG2-CG1 4.42Å; M180-V238 PolarHBondContact N-O 3.03Å; V238-Y240 HydrophobicContact CG1-CE2 4.28Å; V238-V266 HydrophobicContact CB-CG1 4.05Å; V238-V266 HydrophobicContact CG1-CG1 4.07Å; V238-V266 HydrophobicContact CG2-CG1 3.74Å; V238-L268 HydrophobicContact CG1-CD1 4.33Å; V238-D451 HydrophobicContact CG2-CB 3.98Å
239	V	95.9	Very high	92.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	113.1	-171.7	-169.1	0	0	0	0	109.6	M180 V182 I232 V241 V266 F267 L268	M180-V239 HydrophobicContact CB-CG1 4.31Å; M180-V239 HydrophobicContact CB-CG2 4.36Å; M180-V239 HydrophobicContact CG-CG1 4.45Å; M180-V239 CarbonylContact O-C 3.54Å; M180-V239 WeakPolarHBondContact O-CA 3.49Å; V182-V239 HydrophobicContact CB-CG1 4.46Å; V182-V239 HydrophobicContact CG2-CG1 3.63Å; I232-V239 HydrophobicContact CG2-CG1 4.38Å; I232-V239 HydrophobicContact CG2-CG2 3.75Å; V239-V241 HydrophobicContact CG1-CG2 3.8Å; V239-V266 PolarHBondContact N-O 2.87Å; V239-F267 HydrophobicContact CB-CD1 3.9Å; V239-F267 HydrophobicContact CB-CE1 4.14Å; V239-F267 HydrophobicContact CG1-CD1 4.2Å; V239-F267 HydrophobicContact CG1-CE1 4.33Å; V239-F267 HydrophobicContact CG2-CD1 4.39Å; V239-F267 HydrophobicContact CG2-CE1 4.17Å; V239-F267 CarbonylContact O-C 3.57Å; V239-F267 WeakPolarHBondContact O-CA 3.4Å; V239-L268 PolarHBondContact O-N 3.15Å
240	Y	96.5	Very high	92.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.6	166.3	-70	-100.5	0	0	0	108.7	S166 Q170 V179 M180 L181 V182 V238 L268 I270 L308	S166-Y240 PolarHBondContact O-OH 3.4Å; Q170-Y240 PolarHBondContact NE2-OH 3.39Å; V179-Y240 HydrophobicContact CG1-CD2 3.47Å; V179-Y240 VanDerWaalsContact CG1-CD2 3.47Å; V179-Y240 HydrophobicContact CG1-CE2 3.62Å; M180-Y240 PolarHBondContact O-N 3.46Å; L181-Y240 HydrophobicContact CD2-CD2 3.89Å; L181-Y240 HydrophobicContact CD2-CG 4.04Å; V182-Y240 PolarHBondContact N-O 3.49Å; V238-Y240 HydrophobicContact CG1-CE2 4.28Å; Y240-L268 CarbonylContact C-O 3.06Å; Y240-L268 WeakPolarHBondContact CA-O 3.38Å; Y240-L268 HydrophobicContact CD1-CB 3.78Å; Y240-L268 HydrophobicContact CD1-CD1 4.01Å; Y240-L268 HydrophobicContact CD2-CD1 4.22Å; Y240-L268 HydrophobicContact CE1-CB 4.03Å; Y240-L268 HydrophobicContact CE1-CD1 3.48Å; Y240-L268 VanDerWaalsContact CE1-CD1 3.48Å; Y240-L268 HydrophobicContact CE1-CG 4.41Å; Y240-L268 HydrophobicContact CE2-CD1 3.69Å; Y240-L268 HydrophobicContact CG-CB 4.18Å; Y240-L268 HydrophobicContact CG-CD1 4.37Å; Y240-I270 HydrophobicContact CD1-CD1 3.98Å; Y240-I270 HydrophobicContact CD1-CG1 4.23Å; Y240-L308 HydrophobicContact CD1-CD1 4.34Å; Y240-L308 HydrophobicContact CE1-CD1 4.19Å
241	V	95.8	Very high	92.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.4	-177.8	-172.8	0	0	0	0	109.1	V182 V239 L248 F267 L268 F269 I270	V182-V241 HydrophobicContact CB-CG2 4.37Å; V182-V241 CarbonylContact O-C 3.3Å; V182-V241 WeakPolarHBondContact O-CA 3.49Å; V239-V241 HydrophobicContact CG1-CG2 3.8Å; V241-L248 HydrophobicContact CB-CD1 4.17Å; V241-L248 HydrophobicContact CG1-CD1 3.83Å; V241-L248 HydrophobicContact CG2-CD1 4.49Å; V241-F267 HydrophobicContact CG2-CD1 3.98Å; V241-L268 PolarHBondContact N-O 3.26Å; V241-F269 HydrophobicContact CB-CD2 4.45Å; V241-F269 CarbonylContact O-C 3.51Å; V241-F269 WeakPolarHBondContact O-CA 3.18Å; V241-F269 WeakPolarHBondContact O-CD2 3.37Å; V241-I270 PolarHBondContact O-N 2.93Å
242	C	94.6	Very high	92.7	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.027	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	97.4	177.5	-160.1	0	0	0	0	109.7	V182 Y183 T184 V200 I270	V182-C242 PolarHBondContact O-N 2.95Å; Y183-C242 WeakPolarHBondContact CA-O 3.3Å; T184-C242 PolarHBondContact N-O 3.43Å; V200-C242 HydrophobicContact CG2-CB 3.69Å; C242-I270 HydrophobicContact CB-CB 4.29Å; C242-I270 HydrophobicContact CB-CD1 4.39Å
243	C	92.4	Very high	92.8	Very high	4 Å²	4	28.6 Å²	28.6	3%	0.027	14%	0.136	C	C	.	.	S	Bend	trans	-157.3	166.8	-175.3	66.4	0	0	0	0	110.8	T184 I247 F269	T184-C243 WeakPolarHBondContact OG1-CB 3.18Å; C243-I247 HydrophobicContact CB-CB 4.32Å; C243-I247 HydrophobicContact CB-CG2 4.07Å; C243-F269 VanDerWaalsContact O-CE2 3.29Å; C243-F269 WeakPolarHBondContact O-CE2 3.21Å; C243-F269 WeakPolarHBondContact O-CZ 3.38Å
244	P	90.4	Very high	93	Very high	43 Å²	43	25 Å²	25	28%	0.279	12%	0.124	S	C	.	.			trans	-53.3	144.1	170.1	-26.7	33.6	0	0	0	112.8	Y196 D246 I247 L248	Y196-P244 HydrophobicContact CE2-CG 4.11Å; Y196-P244 WeakPolarHBondContact OH-CG 3.23Å; P244-D246 PolarHBondContact O-N 3.35Å; P244-I247 HydrophobicContact CB-CD1 4.28Å; P244-I247 HydrophobicContact CG-CD1 3.95Å; P244-I247 WeakPolarHBondContact O-CB 3.33Å; P244-I247 PolarHBondContact O-N 3.08Å; P244-L248 PolarHBondContact O-N 3.1Å
245	R	89.2	Confident	93.3	Very high	109 Å²	109	21.4 Å²	21.4	41%	0.411	10%	0.104	S	C	.	.	H	α-helix	trans	-53.3	-33.4	-175.3	64.5	-178.6	-173.2	-172.5	1.8	114.7	R249 E275	R245-R249 PolarHBondContact O-N 3.04Å; R245-R249 VanDerWaalsContact O-N 3.15Å; R245-E275 PolarHBondContact NH1-O 3.18Å
246	D	90	Very high	93.5	Very high	78 Å²	78	25 Å²	25	42%	0.417	12%	0.116	S	C	.	.	H	α-helix	trans	-77	-31.1	-179.4	-60.8	-37.6	0	0	0	112.4	P244 R249 N250 R290	P244-D246 PolarHBondContact O-N 3.35Å; D246-R249 PolarHBondContact O-N 3.28Å; D246-N250 WeakPolarHBondContact O-CB 3.41Å; D246-N250 VanDerWaalsContact O-CG 3.23Å; D246-N250 PolarHBondContact O-N 3.36Å; D246-N250 PolarHBondContact O-ND2 3.07Å; D246-R290 IonicContact OD1-CZ 3.82Å; D246-R290 IonicContact OD1-NE 2.84Å; D246-R290 PolarHBondContact OD1-NE 2.89Å; D246-R290 IonicContact OD1-NH2 3.19Å; D246-R290 PolarHBondContact OD1-NH2 3.16Å
247	I	92.3	Very high	93.6	Very high	31 Å²	31	29.6 Å²	29.6	16%	0.159	14%	0.136	C	C	.	.	H	α-helix	trans	-67.1	-45.5	174.9	-71.6	170.5	0	0	0	110.2	T184 L219 I223 Y225 C243 P244 R249 N250 L251	T184-I247 HydrophobicContact CG2-CD1 4.49Å; L219-I247 HydrophobicContact CD1-CG2 3.94Å; I223-I247 HydrophobicContact CD1-CB 4.27Å; I223-I247 HydrophobicContact CD1-CD1 3.72Å; I223-I247 HydrophobicContact CD1-CG1 3.84Å; I223-I247 HydrophobicContact CD1-CG2 3.42Å; I223-I247 VanDerWaalsContact CD1-CG2 3.42Å; Y225-I247 HydrophobicContact CE1-CG2 4.46Å; C243-I247 HydrophobicContact CB-CB 4.32Å; C243-I247 HydrophobicContact CB-CG2 4.07Å; P244-I247 HydrophobicContact CB-CD1 4.28Å; P244-I247 HydrophobicContact CG-CD1 3.95Å; P244-I247 WeakPolarHBondContact O-CB 3.33Å; P244-I247 PolarHBondContact O-N 3.08Å; I247-R249 VanDerWaalsContact C-N 3.34Å; I247-R249 PolarHBondContact O-N 2.81Å; I247-N250 PolarHBondContact O-N 3.3Å; I247-L251 WeakPolarHBondContact O-CB 3.27Å; I247-L251 PolarHBondContact O-N 3.42Å
248	L	93.5	Very high	93.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-57.6	-49	174.2	179.6	75.4	0	0	0	110.6	V241 P244 N250 L251 M252 F269 F302 V305	V241-L248 HydrophobicContact CB-CD1 4.17Å; V241-L248 HydrophobicContact CG1-CD1 3.83Å; V241-L248 HydrophobicContact CG2-CD1 4.49Å; P244-L248 PolarHBondContact O-N 3.1Å; L248-N250 PolarHBondContact O-N 3.02Å; L248-L251 WeakPolarHBondContact O-CB 3.09Å; L248-L251 PolarHBondContact O-N 3.11Å; L248-M252 HydrophobicContact CD1-CG 4.27Å; L248-M252 HydrophobicContact CG-CG 4.28Å; L248-M252 VanDerWaalsContact O-CG 3.31Å; L248-M252 WeakPolarHBondContact O-CG 3.46Å; L248-M252 PolarHBondContact O-N 3.35Å; L248-F269 HydrophobicContact CB-CD2 4.41Å; L248-F269 HydrophobicContact CB-CE2 4.18Å; L248-F269 HydrophobicContact CD1-CD2 4.06Å; L248-F269 HydrophobicContact CD1-CG 4.42Å; L248-F269 HydrophobicContact CD2-CB 3.92Å; L248-F269 HydrophobicContact CD2-CD1 3.53Å; L248-F269 HydrophobicContact CD2-CD2 3.56Å; L248-F269 HydrophobicContact CD2-CE1 3.84Å; L248-F269 HydrophobicContact CD2-CE2 3.9Å; L248-F269 HydrophobicContact CD2-CG 3.38Å; L248-F269 HydrophobicContact CD2-CZ 4.03Å; L248-F269 HydrophobicContact CG-CD2 4.21Å; L248-F269 HydrophobicContact CG-CE2 4.46Å; L248-F269 HydrophobicContact CG-CG 4.44Å; L248-F302 HydrophobicContact CD2-CE1 4.03Å; L248-F302 HydrophobicContact CD2-CZ 3.99Å; L248-F302 HydrophobicContact CG-CZ 4.28Å; L248-V305 HydrophobicContact CD2-CG1 4.42Å
249	R	93.7	Very high	93.4	Very high	5 Å²	5	41.6 Å²	41.6	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-56.5	-50.5	-178.8	-176.1	-178.8	-179.5	-91.5	0.3	111.7	R245 D246 I247 L251 M252 V253 W288 R290 D292 D295 A298 F302	R245-R249 PolarHBondContact O-N 3.04Å; R245-R249 VanDerWaalsContact O-N 3.15Å; D246-R249 PolarHBondContact O-N 3.28Å; I247-R249 VanDerWaalsContact C-N 3.34Å; I247-R249 PolarHBondContact O-N 2.81Å; R249-L251 VanDerWaalsContact C-N 3.32Å; R249-L251 PolarHBondContact O-N 3.34Å; R249-M252 PolarHBondContact O-N 2.75Å; R249-V253 HydrophobicContact CG-CG2 4.49Å; R249-V253 VanDerWaalsContact O-CG2 3.31Å; R249-V253 WeakPolarHBondContact O-CG2 3.31Å; R249-V253 PolarHBondContact O-N 2.97Å; R249-W288 PolarHBondContact NE-O 3.35Å; R249-R290 VanDerWaalsContact CD-CG 3.48Å; R249-R290 VanDerWaalsContact NE-CG 3.34Å; R249-D292 IonicContact CZ-OD1 3.62Å; R249-D292 IonicContact CZ-OD2 3.65Å; R249-D292 VanDerWaalsContact CZ-OD2 3.28Å; R249-D292 IonicContact NH1-OD1 2.72Å; R249-D292 IonicContact NH1-OD2 2.75Å; R249-D292 PolarHBondContact NH1-OD2 2.8Å; R249-D292 IonicContact NH2-OD1 3.69Å; R249-D292 PolarHBondContact NH2-OD1 3.1Å; R249-D292 IonicContact NH2-OD2 3.77Å; R249-D292 PolarHBondContact NH2-OD2 2.9Å; R249-D292 VanDerWaalsContact NH2-OD2 3.11Å; R249-D295 IonicContact CZ-OD1 2.73Å; R249-D295 IonicContact NH2-OD1 2.97Å; R249-D295 PolarHBondContact NH2-OD1 3.01Å; R249-A298 HydrophobicContact CG-CB 4.33Å; R249-F302 HydrophobicContact CB-CE2 4.45Å; R249-F302 HydrophobicContact CB-CZ 4.35Å; R249-F302 HydrophobicContact CG-CE2 4.42Å
250	N	93.9	Very high	93	Very high	64 Å²	64	42.8 Å²	42.8	34%	0.342	19%	0.193	S	C	.	.	H	α-helix	trans	-63.9	-37.5	-180	-68.9	-16.5	0	0	0	112.2	Y225 D246 I247 L248 Q254	Y225-N250 HydrophobicContact CD1-CB 4.22Å; Y225-N250 HydrophobicContact CE1-CB 3.56Å; Y225-N250 HydrophobicContact CE2-CB 4.02Å; Y225-N250 VanDerWaalsContact CZ-CB 3.43Å; Y225-N250 WeakPolarHBondContact OH-CB 3.45Å; Y225-N250 PolarHBondContact OH-ND2 2.87Å; D246-N250 WeakPolarHBondContact O-CB 3.41Å; D246-N250 VanDerWaalsContact O-CG 3.23Å; D246-N250 PolarHBondContact O-N 3.36Å; D246-N250 PolarHBondContact O-ND2 3.07Å; I247-N250 PolarHBondContact O-N 3.3Å; L248-N250 PolarHBondContact O-N 3.02Å; N250-Q254 WeakPolarHBondContact O-CB 3.28Å; N250-Q254 PolarHBondContact O-N 3.49Å
251	L	94.7	Very high	92.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-61.4	-48	174.2	-177.5	67.1	0	0	0	111.1	Y225 A228 V229 I232 I247 L248 R249 Q254 F255	Y225-L251 HydrophobicContact CD1-CB 4.2Å; Y225-L251 HydrophobicContact CD1-CD1 4.35Å; Y225-L251 HydrophobicContact CE1-CB 4.38Å; A228-L251 HydrophobicContact CB-CD1 3.91Å; V229-L251 HydrophobicContact CG2-CD1 3.91Å; I232-L251 HydrophobicContact CD1-CD1 4.21Å; I232-L251 HydrophobicContact CD1-CD2 3.94Å; I247-L251 WeakPolarHBondContact O-CB 3.27Å; I247-L251 PolarHBondContact O-N 3.42Å; L248-L251 WeakPolarHBondContact O-CB 3.09Å; L248-L251 PolarHBondContact O-N 3.11Å; R249-L251 VanDerWaalsContact C-N 3.32Å; R249-L251 PolarHBondContact O-N 3.34Å; L251-Q254 WeakPolarHBondContact O-CB 3.48Å; L251-Q254 PolarHBondContact O-N 2.99Å; L251-Q254 VanDerWaalsContact O-N 3.16Å; L251-F255 HydrophobicContact CD1-CD2 4.47Å; L251-F255 HydrophobicContact CD1-CE2 4.12Å; L251-F255 HydrophobicContact CG-CD2 4.2Å; L251-F255 HydrophobicContact CG-CE2 4.02Å; L251-F255 WeakPolarHBondContact O-CD2 3.29Å; L251-F255 PolarHBondContact O-N 3Å
252	M	95.2	Very high	92.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.2	-39.2	179.6	-66.1	-48.8	-59.6	0	0	112.5	L248 R249 Q254 F255 W256 L262 F267 A301 F302 S304 V305	L248-M252 HydrophobicContact CD1-CG 4.27Å; L248-M252 HydrophobicContact CG-CG 4.28Å; L248-M252 VanDerWaalsContact O-CG 3.31Å; L248-M252 WeakPolarHBondContact O-CG 3.46Å; L248-M252 PolarHBondContact O-N 3.35Å; R249-M252 PolarHBondContact O-N 2.75Å; M252-Q254 VanDerWaalsContact C-N 3.28Å; M252-Q254 PolarHBondContact O-N 3.5Å; M252-F255 WeakPolarHBondContact O-CB 3.35Å; M252-F255 PolarHBondContact O-N 2.69Å; M252-F255 HydrophobicContact SD-CD2 4.44Å; M252-W256 PolarHBondContact O-N 2.87Å; M252-W256 VanDerWaalsContact O-N 3.15Å; M252-L262 HydrophobicContact CE-CD2 4.18Å; M252-F267 HydrophobicContact CE-CD2 3.66Å; M252-F267 HydrophobicContact CE-CE2 3.75Å; M252-F267 HydrophobicContact CE-CG 4.27Å; M252-F267 HydrophobicContact CE-CZ 4.42Å; M252-F267 HydrophobicContact SD-CD1 4.14Å; M252-F267 HydrophobicContact SD-CD2 3.91Å; M252-F267 HydrophobicContact SD-CE1 4.29Å; M252-F267 HydrophobicContact SD-CE2 4.08Å; M252-F267 HydrophobicContact SD-CG 3.95Å; M252-F267 HydrophobicContact SD-CZ 4.26Å; M252-A301 HydrophobicContact CB-CB 3.82Å; M252-A301 HydrophobicContact CE-CB 4.07Å; M252-A301 WeakPolarHBondContact CE-O 3.29Å; M252-A301 VanDerWaalsContact O-CB 3.24Å; M252-A301 WeakPolarHBondContact O-CB 3.33Å; M252-F302 HydrophobicContact CB-CD2 3.96Å; M252-F302 HydrophobicContact CB-CE2 3.75Å; M252-F302 HydrophobicContact CG-CD2 4.14Å; M252-F302 HydrophobicContact CG-CE2 3.87Å; M252-S304 WeakPolarHBondContact CE-OG 3.43Å; M252-V305 HydrophobicContact CE-CG2 3.76Å; M252-V305 HydrophobicContact CG-CG2 4.02Å; M252-V305 HydrophobicContact SD-CG2 3.96Å
253	V	94.9	Very high	92	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-40.5	171.9	169.4	0	0	0	0	110.6	R249 W256 K257 D294 A297 A298	R249-V253 HydrophobicContact CG-CG2 4.49Å; R249-V253 VanDerWaalsContact O-CG2 3.31Å; R249-V253 WeakPolarHBondContact O-CG2 3.31Å; R249-V253 PolarHBondContact O-N 2.97Å; V253-W256 PolarHBondContact O-N 3.43Å; V253-K257 HydrophobicContact CG1-CD 3.89Å; V253-K257 VanDerWaalsContact CG1-CE 3.46Å; V253-K257 HydrophobicContact CG1-CG 4.35Å; V253-K257 WeakPolarHBondContact O-CG 3.45Å; V253-K257 PolarHBondContact O-N 2.91Å; V253-D294 HydrophobicContact CG1-CB 4.03Å; V253-D294 HydrophobicContact CG2-CB 4.2Å; V253-A297 HydrophobicContact CG1-CB 4.42Å; V253-A298 HydrophobicContact CG2-CB 3.72Å
254	Q	94.7	Very high	91.8	Very high	29 Å²	29	57.3 Å²	57.3	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-65.5	-40	176.9	-171.8	59.4	36.6	0	0	112.2	K226 V229 N250 L251 M252 W256 K257 D258	K226-Q254 HydrophobicContact CG-CG 4.49Å; K226-Q254 VanDerWaalsContact CG-NE2 3.35Å; V229-Q254 HydrophobicContact CG2-CB 3.99Å; V229-Q254 HydrophobicContact CG2-CG 3.77Å; N250-Q254 WeakPolarHBondContact O-CB 3.28Å; N250-Q254 PolarHBondContact O-N 3.49Å; L251-Q254 WeakPolarHBondContact O-CB 3.48Å; L251-Q254 PolarHBondContact O-N 2.99Å; L251-Q254 VanDerWaalsContact O-N 3.16Å; M252-Q254 VanDerWaalsContact C-N 3.28Å; M252-Q254 PolarHBondContact O-N 3.5Å; Q254-W256 VanDerWaalsContact C-N 3.28Å; Q254-W256 PolarHBondContact O-N 2.8Å; Q254-K257 PolarHBondContact O-N 3.47Å; Q254-D258 PolarHBondContact NE2-OD1 2.95Å; Q254-D258 PolarHBondContact NE2-OD2 3.25Å; Q254-D258 WeakPolarHBondContact O-CB 3.46Å; Q254-D258 PolarHBondContact O-N 3.16Å
255	F	94.4	Very high	91.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-55.9	-43	172.3	-92.7	-82.2	0	0	0	112.3	V229 I232 L251 M252 R259 V260 L262 F267	V229-F255 HydrophobicContact CB-CE2 4.37Å; V229-F255 HydrophobicContact CB-CZ 4.36Å; V229-F255 HydrophobicContact CG1-CD1 3.85Å; V229-F255 HydrophobicContact CG1-CD2 4.43Å; V229-F255 HydrophobicContact CG1-CE1 3.81Å; V229-F255 HydrophobicContact CG1-CE2 4.38Å; V229-F255 HydrophobicContact CG1-CG 4.15Å; V229-F255 HydrophobicContact CG1-CZ 4.06Å; V229-F255 HydrophobicContact CG2-CD2 3.66Å; V229-F255 HydrophobicContact CG2-CE2 3.73Å; V229-F255 HydrophobicContact CG2-CG 4.06Å; V229-F255 HydrophobicContact CG2-CZ 4.2Å; I232-F255 HydrophobicContact CB-CZ 3.84Å; I232-F255 HydrophobicContact CD1-CE2 4.05Å; I232-F255 HydrophobicContact CD1-CZ 4.14Å; I232-F255 HydrophobicContact CG2-CZ 3.67Å; L251-F255 HydrophobicContact CD1-CD2 4.47Å; L251-F255 HydrophobicContact CD1-CE2 4.12Å; L251-F255 HydrophobicContact CG-CD2 4.2Å; L251-F255 HydrophobicContact CG-CE2 4.02Å; L251-F255 WeakPolarHBondContact O-CD2 3.29Å; L251-F255 PolarHBondContact O-N 3Å; M252-F255 WeakPolarHBondContact O-CB 3.35Å; M252-F255 PolarHBondContact O-N 2.69Å; M252-F255 HydrophobicContact SD-CD2 4.44Å; F255-R259 PolarHBondContact O-N 2.92Å; F255-V260 HydrophobicContact CD1-CB 3.95Å; F255-V260 HydrophobicContact CD1-CG1 4Å; F255-V260 HydrophobicContact CD1-CG2 4.07Å; F255-V260 HydrophobicContact CE1-CG1 4.29Å; F255-V260 PolarHBondContact O-N 3.37Å; F255-L262 HydrophobicContact CB-CD2 4Å; F255-L262 HydrophobicContact CD1-CD2 4Å; F255-L262 HydrophobicContact CG-CD2 4.15Å; F255-F267 HydrophobicContact CD1-CZ 4.36Å; F255-F267 HydrophobicContact CD2-CZ 4.09Å; F255-F267 AromaticContact CE1-CZ 3.94Å; F255-F267 HydrophobicContact CE1-CZ 3.94Å; F255-F267 AromaticContact CE2-CE1 3.86Å; F255-F267 HydrophobicContact CE2-CE1 3.86Å; F255-F267 AromaticContact CE2-CZ 3.64Å; F255-F267 HydrophobicContact CE2-CZ 3.64Å; F255-F267 HydrophobicContact CG-CZ 4.45Å; F255-F267 AromaticContact CZ-CE1 4Å; F255-F267 HydrophobicContact CZ-CE1 4Å; F255-F267 AromaticContact CZ-CZ 3.57Å; F255-F267 HydrophobicContact CZ-CZ 3.57Å
256	W	93.4	Very high	92.2	Very high	110 Å²	110	50.4 Å²	50.4	42%	0.417	24%	0.235	S	C	.	.	H	α-helix	trans	-69.3	-43.5	177.5	-171.5	90.1	0	0	0	112.1	M252 V253 Q254 D258 R259 A297 A301	M252-W256 PolarHBondContact O-N 2.87Å; M252-W256 VanDerWaalsContact O-N 3.15Å; V253-W256 PolarHBondContact O-N 3.43Å; Q254-W256 VanDerWaalsContact C-N 3.28Å; Q254-W256 PolarHBondContact O-N 2.8Å; W256-D258 VanDerWaalsContact C-N 3.29Å; W256-D258 PolarHBondContact O-N 2.91Å; W256-R259 PolarHBondContact O-N 2.92Å; W256-A297 HydrophobicContact CB-CB 4.4Å; W256-A297 HydrophobicContact CD2-CB 3.63Å; W256-A297 HydrophobicContact CE3-CB 3.34Å; W256-A297 HydrophobicContact CG-CB 4.1Å; W256-A297 HydrophobicContact CH2-CB 4.48Å; W256-A297 HydrophobicContact CZ3-CB 3.82Å; W256-A301 HydrophobicContact CB-CB 4.25Å
257	K	92.6	Very high	92.4	Very high	96 Å²	96	46.7 Å²	46.7	42%	0.417	22%	0.215	S	C	.	.	H	α-helix	trans	-60.8	-37	177	-75.3	176.1	179.1	170.2	0	112.3	V253 Q254 R259 D294	V253-K257 HydrophobicContact CG1-CD 3.89Å; V253-K257 VanDerWaalsContact CG1-CE 3.46Å; V253-K257 HydrophobicContact CG1-CG 4.35Å; V253-K257 WeakPolarHBondContact O-CG 3.45Å; V253-K257 PolarHBondContact O-N 2.91Å; Q254-K257 PolarHBondContact O-N 3.47Å; K257-R259 PolarHBondContact O-N 3.17Å; K257-D294 WeakPolarHBondContact CE-OD1 3.45Å; K257-D294 IonicContact NZ-OD1 2.78Å; K257-D294 PolarHBondContact NZ-OD1 2.89Å; K257-D294 IonicContact NZ-OD2 2.65Å; K257-D294 PolarHBondContact NZ-OD2 3.34Å
258	D	92.9	Very high	92.6	Very high	68 Å²	68	45.2 Å²	45.2	36%	0.364	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	2.1	177	-70.2	-19.5	0	0	0	113.4	Q254 W256 V260	Q254-D258 PolarHBondContact NE2-OD1 2.95Å; Q254-D258 PolarHBondContact NE2-OD2 3.25Å; Q254-D258 WeakPolarHBondContact O-CB 3.46Å; Q254-D258 PolarHBondContact O-N 3.16Å; W256-D258 VanDerWaalsContact C-N 3.29Å; W256-D258 PolarHBondContact O-N 2.91Å; D258-V260 VanDerWaalsContact C-N 3.3Å; D258-V260 HydrophobicContact CB-CG2 4.17Å; D258-V260 PolarHBondContact O-N 3.4Å
259	R	90.8	Very high	92.8	Very high	226 Å²	226	45.3 Å²	45.3	85%	0.853	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	42.3	178.9	-56.6	-173.8	-179.1	-165	-0.6	113.2	F255 W256 K257	F255-R259 PolarHBondContact O-N 2.92Å; W256-R259 PolarHBondContact O-N 2.92Å; K257-R259 PolarHBondContact O-N 3.17Å
260	V	88.2	Confident	92.9	Very high	24 Å²	24	45.4 Å²	45.4	15%	0.145	21%	0.209	C	C	.	.			trans	-77.3	138	174.5	-178.1	0	0	0	0	109.5	V229 F255 D258 L262 F265	V229-V260 HydrophobicContact CG1-CG2 4.17Å; F255-V260 HydrophobicContact CD1-CB 3.95Å; F255-V260 HydrophobicContact CD1-CG1 4Å; F255-V260 HydrophobicContact CD1-CG2 4.07Å; F255-V260 HydrophobicContact CE1-CG1 4.29Å; F255-V260 PolarHBondContact O-N 3.37Å; D258-V260 VanDerWaalsContact C-N 3.3Å; D258-V260 HydrophobicContact CB-CG2 4.17Å; D258-V260 PolarHBondContact O-N 3.4Å; V260-L262 PolarHBondContact O-N 3.45Å; V260-F265 HydrophobicContact CG1-CD2 4.4Å; V260-F265 HydrophobicContact CG1-CE2 3.72Å; V260-F265 HydrophobicContact CG1-CZ 4.19Å
261	D	86.7	Confident	93	Very high	122 Å²	122	43 Å²	43	65%	0.652	20%	0.196	S	C	*	.			trans	-70.5	88.6	176.2	-64	-42.3	0	0	0	110.7	E263 D264 F265	D261-E263 PolarHBondContact O-N 2.69Å; D261-E263 VanDerWaalsContact O-N 3.12Å; D261-D264 PolarHBondContact O-N 3.33Å; D261-F265 WeakPolarHBondContact O-CD2 3.27Å
262	L	89	Confident	92.9	Very high	22 Å²	22	43.4 Å²	43.4	12%	0.115	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-66.5	-8.2	-178.1	-73.8	173	0	0	0	114.3	M252 F255 V260 D264 F265 F267 A301	M252-L262 HydrophobicContact CE-CD2 4.18Å; F255-L262 HydrophobicContact CB-CD2 4Å; F255-L262 HydrophobicContact CD1-CD2 4Å; F255-L262 HydrophobicContact CG-CD2 4.15Å; V260-L262 PolarHBondContact O-N 3.45Å; L262-D264 PolarHBondContact O-N 3.01Å; L262-F265 PolarHBondContact O-N 2.92Å; L262-F267 HydrophobicContact CD2-CE2 3.85Å; L262-A301 HydrophobicContact CD1-CB 3.91Å
263	E	89	Confident	92.7	Very high	107 Å²	107	44.3 Å²	44.3	50%	0.5	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-69	-23.8	175.8	-62.2	-175.3	-176.6	0	0	113	D261 P444	D261-E263 PolarHBondContact O-N 2.69Å; D261-E263 VanDerWaalsContact O-N 3.12Å; E263-P444 HydrophobicContact CG-CB 4.21Å
264	D	88.9	Confident	92.5	Very high	63 Å²	63	44.8 Å²	44.8	34%	0.337	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-90.2	-1.3	177.5	-68.4	-29.1	0	0	0	112.5	R237 D261 L262 K447	R237-D264 VanDerWaalsContact CD-O 3.26Å; R237-D264 WeakPolarHBondContact CD-O 3.35Å; D261-D264 PolarHBondContact O-N 3.33Å; L262-D264 PolarHBondContact O-N 3.01Å; D264-K447 IonicContact OD1-NZ 3.22Å; D264-K447 PolarHBondContact OD1-NZ 2.84Å
265	F	92.4	Very high	92.1	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.026	22%	0.217	C	C	.	.			trans	-115.1	150	-176.9	-67.2	-100.7	0	0	0	112.1	I232 R233 G236 R237 V260 D261 L262 F267	I232-F265 HydrophobicContact CG2-CE1 4.44Å; R233-F265 HydrophobicContact CB-CZ 4.5Å; R233-F265 HydrophobicContact CG-CZ 4.32Å; G236-F265 WeakPolarHBondContact O-CE1 3.36Å; R237-F265 WeakPolarHBondContact O-CA 3.19Å; V260-F265 HydrophobicContact CG1-CD2 4.4Å; V260-F265 HydrophobicContact CG1-CE2 3.72Å; V260-F265 HydrophobicContact CG1-CZ 4.19Å; D261-F265 WeakPolarHBondContact O-CD2 3.27Å; L262-F265 PolarHBondContact O-N 2.92Å; F265-F267 HydrophobicContact CB-CD2 4.33Å; F265-F267 HydrophobicContact CB-CE2 3.66Å; F265-F267 HydrophobicContact CB-CZ 4.23Å; F265-F267 HydrophobicContact CD1-CE2 4.48Å; F265-F267 HydrophobicContact CD1-CZ 4.2Å; F265-F267 HydrophobicContact CG-CE2 4.31Å; F265-F267 HydrophobicContact CG-CZ 4.45Å
266	V	94.3	Very high	91.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127	164	56.9	0	0	0	0	109.3	W175 R237 V238 V239 L268 K306 W443 P449	W175-V266 HydrophobicContact CH2-CB 4.48Å; W175-V266 HydrophobicContact CH2-CG1 3.71Å; W175-V266 HydrophobicContact CH2-CG2 4.37Å; W175-V266 HydrophobicContact CZ2-CG1 4.01Å; W175-V266 HydrophobicContact CZ3-CG1 4.24Å; R237-V266 PolarHBondContact O-N 3.19Å; V238-V266 HydrophobicContact CB-CG1 4.05Å; V238-V266 HydrophobicContact CG1-CG1 4.07Å; V238-V266 HydrophobicContact CG2-CG1 3.74Å; V239-V266 PolarHBondContact N-O 2.87Å; V266-L268 HydrophobicContact CG2-CD2 3.87Å; V266-L268 HydrophobicContact CG2-CG 4.23Å; V266-K306 HydrophobicContact CG2-CG 4.4Å; V266-W443 HydrophobicContact CB-CZ3 3.87Å; V266-W443 HydrophobicContact CG2-CH2 4.07Å; V266-W443 HydrophobicContact CG2-CZ3 3.57Å; V266-P449 HydrophobicContact CB-CG 4.43Å
267	F	95.9	Very high	91.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.4	175.4	-64.6	-88.2	0	0	0	109	I232 V239 V241 M252 F255 L262 F265 F269 S304 V305 K306	I232-F267 HydrophobicContact CG2-CE1 4.2Å; V239-F267 HydrophobicContact CB-CD1 3.9Å; V239-F267 HydrophobicContact CB-CE1 4.14Å; V239-F267 HydrophobicContact CG1-CD1 4.2Å; V239-F267 HydrophobicContact CG1-CE1 4.33Å; V239-F267 HydrophobicContact CG2-CD1 4.39Å; V239-F267 HydrophobicContact CG2-CE1 4.17Å; V239-F267 CarbonylContact O-C 3.57Å; V239-F267 WeakPolarHBondContact O-CA 3.4Å; V241-F267 HydrophobicContact CG2-CD1 3.98Å; M252-F267 HydrophobicContact CE-CD2 3.66Å; M252-F267 HydrophobicContact CE-CE2 3.75Å; M252-F267 HydrophobicContact CE-CG 4.27Å; M252-F267 HydrophobicContact CE-CZ 4.42Å; M252-F267 HydrophobicContact SD-CD1 4.14Å; M252-F267 HydrophobicContact SD-CD2 3.91Å; M252-F267 HydrophobicContact SD-CE1 4.29Å; M252-F267 HydrophobicContact SD-CE2 4.08Å; M252-F267 HydrophobicContact SD-CG 3.95Å; M252-F267 HydrophobicContact SD-CZ 4.26Å; F255-F267 HydrophobicContact CD1-CZ 4.36Å; F255-F267 HydrophobicContact CD2-CZ 4.09Å; F255-F267 AromaticContact CE1-CZ 3.94Å; F255-F267 HydrophobicContact CE1-CZ 3.94Å; F255-F267 AromaticContact CE2-CE1 3.86Å; F255-F267 HydrophobicContact CE2-CE1 3.86Å; F255-F267 AromaticContact CE2-CZ 3.64Å; F255-F267 HydrophobicContact CE2-CZ 3.64Å; F255-F267 HydrophobicContact CG-CZ 4.45Å; F255-F267 AromaticContact CZ-CE1 4Å; F255-F267 HydrophobicContact CZ-CE1 4Å; F255-F267 AromaticContact CZ-CZ 3.57Å; F255-F267 HydrophobicContact CZ-CZ 3.57Å; L262-F267 HydrophobicContact CD2-CE2 3.85Å; F265-F267 HydrophobicContact CB-CD2 4.33Å; F265-F267 HydrophobicContact CB-CE2 3.66Å; F265-F267 HydrophobicContact CB-CZ 4.23Å; F265-F267 HydrophobicContact CD1-CE2 4.48Å; F265-F267 HydrophobicContact CD1-CZ 4.2Å; F265-F267 HydrophobicContact CG-CE2 4.31Å; F265-F267 HydrophobicContact CG-CZ 4.45Å; F267-F269 PolarHBondContact O-N 2.97Å; F267-S304 WeakPolarHBondContact CD2-OG 3.37Å; F267-S304 PolarHBondContact N-O 2.88Å; F267-V305 HydrophobicContact CB-CG2 3.99Å; F267-V305 CarbonylContact O-C 3.6Å; F267-V305 WeakPolarHBondContact O-CA 3.42Å; F267-K306 PolarHBondContact O-N 2.73Å
268	L	96.3	Very high	89.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	93.7	175	-59.9	177.3	0	0	0	107.9	F169 W175 V238 V239 Y240 V241 V266 I270 K306 L308	F169-L268 HydrophobicContact CD1-CD1 4.1Å; F169-L268 HydrophobicContact CE1-CD1 4.03Å; F169-L268 HydrophobicContact CE1-CD2 3.82Å; F169-L268 HydrophobicContact CZ-CD2 4.25Å; W175-L268 HydrophobicContact CZ3-CD1 4.46Å; V238-L268 HydrophobicContact CG1-CD1 4.33Å; V239-L268 PolarHBondContact O-N 3.15Å; Y240-L268 CarbonylContact C-O 3.06Å; Y240-L268 WeakPolarHBondContact CA-O 3.38Å; Y240-L268 HydrophobicContact CD1-CB 3.78Å; Y240-L268 HydrophobicContact CD1-CD1 4.01Å; Y240-L268 HydrophobicContact CD2-CD1 4.22Å; Y240-L268 HydrophobicContact CE1-CB 4.03Å; Y240-L268 HydrophobicContact CE1-CD1 3.48Å; Y240-L268 VanDerWaalsContact CE1-CD1 3.48Å; Y240-L268 HydrophobicContact CE1-CG 4.41Å; Y240-L268 HydrophobicContact CE2-CD1 3.69Å; Y240-L268 HydrophobicContact CG-CB 4.18Å; Y240-L268 HydrophobicContact CG-CD1 4.37Å; V241-L268 PolarHBondContact N-O 3.26Å; V266-L268 HydrophobicContact CG2-CD2 3.87Å; V266-L268 HydrophobicContact CG2-CG 4.23Å; L268-I270 PolarHBondContact O-N 3.39Å; L268-K306 HydrophobicContact CD2-CB 3.91Å; L268-K306 HydrophobicContact CD2-CG 4.15Å; L268-L308 HydrophobicContact CB-CD1 3.98Å
269	F	96.9	Very high	87.9	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.5	-179.6	-180	-130.3	0	0	0	110.2	V241 C243 L248 F267 D271 V305 K306 V307 L308	V241-F269 HydrophobicContact CB-CD2 4.45Å; V241-F269 CarbonylContact O-C 3.51Å; V241-F269 WeakPolarHBondContact O-CA 3.18Å; V241-F269 WeakPolarHBondContact O-CD2 3.37Å; C243-F269 VanDerWaalsContact O-CE2 3.29Å; C243-F269 WeakPolarHBondContact O-CE2 3.21Å; C243-F269 WeakPolarHBondContact O-CZ 3.38Å; L248-F269 HydrophobicContact CB-CD2 4.41Å; L248-F269 HydrophobicContact CB-CE2 4.18Å; L248-F269 HydrophobicContact CD1-CD2 4.06Å; L248-F269 HydrophobicContact CD1-CG 4.42Å; L248-F269 HydrophobicContact CD2-CB 3.92Å; L248-F269 HydrophobicContact CD2-CD1 3.53Å; L248-F269 HydrophobicContact CD2-CD2 3.56Å; L248-F269 HydrophobicContact CD2-CE1 3.84Å; L248-F269 HydrophobicContact CD2-CE2 3.9Å; L248-F269 HydrophobicContact CD2-CG 3.38Å; L248-F269 HydrophobicContact CD2-CZ 4.03Å; L248-F269 HydrophobicContact CG-CD2 4.21Å; L248-F269 HydrophobicContact CG-CE2 4.46Å; L248-F269 HydrophobicContact CG-CG 4.44Å; F267-F269 PolarHBondContact O-N 2.97Å; F269-D271 HydrophobicContact CD1-CB 3.86Å; F269-D271 HydrophobicContact CE1-CB 3.52Å; F269-D271 HydrophobicContact CZ-CB 4.05Å; F269-D271 PolarHBondContact O-N 3.23Å; F269-V305 HydrophobicContact CB-CG1 3.98Å; F269-K306 PolarHBondContact N-O 2.91Å; F269-V307 HydrophobicContact CD1-CG1 3.92Å; F269-V307 HydrophobicContact CD1-CG2 4.12Å; F269-V307 CarbonylContact O-C 3.57Å; F269-V307 WeakPolarHBondContact O-CA 3.45Å; F269-L308 PolarHBondContact O-N 3.08Å
270	I	96.4	Very high	85.6	Confident	7 Å²	7	33.2 Å²	33.2	4%	0.036	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	99.1	179.6	-54.3	167.2	0	0	0	108.7	L162 T199 V203 Y240 V241 C242 L268 L272 L308	L162-I270 HydrophobicContact CD2-CD1 4.46Å; L162-I270 HydrophobicContact CD2-CG2 4.02Å; T199-I270 HydrophobicContact CG2-CB 4.42Å; T199-I270 HydrophobicContact CG2-CD1 4.34Å; T199-I270 HydrophobicContact CG2-CG2 3.51Å; V203-I270 HydrophobicContact CG2-CD1 4.4Å; Y240-I270 HydrophobicContact CD1-CD1 3.98Å; Y240-I270 HydrophobicContact CD1-CG1 4.23Å; V241-I270 PolarHBondContact O-N 2.93Å; C242-I270 HydrophobicContact CB-CB 4.29Å; C242-I270 HydrophobicContact CB-CD1 4.39Å; L268-I270 PolarHBondContact O-N 3.39Å; I270-L272 HydrophobicContact CG2-CD1 4.43Å; I270-L272 HydrophobicContact CG2-CD2 3.78Å; I270-L272 HydrophobicContact CG2-CG 3.8Å; I270-L308 HydrophobicContact CG1-CD1 4.1Å
271	D	94.4	Very high	83.3	Confident	13 Å²	13	41.1 Å²	41.1	7%	0.07	24%	0.243	C	C	.	.			trans	-124.2	72.3	177.6	-178.9	10.7	0	0	0	109	F269 F273 A274 E275 S276 V307 L308 T309	F269-D271 HydrophobicContact CD1-CB 3.86Å; F269-D271 HydrophobicContact CE1-CB 3.52Å; F269-D271 HydrophobicContact CZ-CB 4.05Å; F269-D271 PolarHBondContact O-N 3.23Å; D271-F273 PolarHBondContact O-N 2.86Å; D271-A274 PolarHBondContact O-N 3.02Å; D271-A274 PolarHBondContact OD1-N 3.21Å; D271-A274 WeakPolarHBondContact OD2-CA 3.19Å; D271-E275 PolarHBondContact OD1-N 3.19Å; D271-E275 PolarHBondContact OD2-N 3.2Å; D271-E275 VanDerWaalsContact OD2-N 3.11Å; D271-S276 WeakPolarHBondContact OD2-CB 3.35Å; D271-S276 PolarHBondContact OD2-N 2.59Å; D271-S276 PolarHBondContact OD2-OG 3.29Å; D271-V307 HydrophobicContact CB-CG1 3.76Å; D271-L308 CarbonylContact C-O 3.55Å; D271-L308 PolarHBondContact N-O 2.95Å; D271-L308 VanDerWaalsContact O-O 3.12Å; D271-T309 WeakPolarHBondContact O-CG2 3.38Å
272	L	93.3	Very high	81.2	Confident	11 Å²	11	42 Å²	42	6%	0.058	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-34.1	-167.7	-63.8	173.7	0	0	0	113.4	L162 T199 I270 Y310 F410	L162-L272 HydrophobicContact CD1-CD2 4.06Å; L162-L272 HydrophobicContact CD2-CD2 4.21Å; T199-L272 HydrophobicContact CG2-CD1 3.92Å; I270-L272 HydrophobicContact CG2-CD1 4.43Å; I270-L272 HydrophobicContact CG2-CD2 3.78Å; I270-L272 HydrophobicContact CG2-CG 3.8Å; L272-Y310 HydrophobicContact CB-CD2 4.08Å; L272-Y310 HydrophobicContact CB-CE2 3.66Å; L272-Y310 HydrophobicContact CD2-CE1 4.08Å; L272-Y310 HydrophobicContact CG-CE2 4.47Å; L272-Y310 WeakPolarHBondContact O-CD2 3.43Å; L272-Y310 PolarHBondContact O-N 2.92Å; L272-F410 HydrophobicContact CD2-CE1 4.08Å
273	F	91.8	Very high	79.6	Confident	19 Å²	19	48.9 Å²	48.9	8%	0.083	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	9.6	-178.7	-65.7	-66.9	0	0	0	114.6	P49 D271 E275 Y310 L341 Y342 I345	P49-F273 HydrophobicContact CB-CE1 4.4Å; P49-F273 HydrophobicContact CB-CZ 4.07Å; P49-F273 HydrophobicContact CG-CD2 4.44Å; P49-F273 HydrophobicContact CG-CE1 4.32Å; P49-F273 HydrophobicContact CG-CE2 3.75Å; P49-F273 HydrophobicContact CG-CZ 3.68Å; D271-F273 PolarHBondContact O-N 2.86Å; F273-E275 VanDerWaalsContact C-N 3.29Å; F273-E275 HydrophobicContact CB-CG 4.38Å; F273-E275 PolarHBondContact O-N 3.42Å; F273-Y310 HydrophobicContact CD1-CD2 4.18Å; F273-Y310 HydrophobicContact CD1-CE2 4.34Å; F273-Y310 HydrophobicContact CE1-CD2 4.09Å; F273-Y310 AromaticContact CE1-CE2 3.94Å; F273-Y310 HydrophobicContact CE1-CE2 3.94Å; F273-Y310 HydrophobicContact CZ-CE2 4.12Å; F273-L341 HydrophobicContact CB-CB 4.44Å; F273-L341 HydrophobicContact CD1-CB 4.06Å; F273-Y342 HydrophobicContact CB-CD1 3.78Å; F273-Y342 HydrophobicContact CB-CE1 3.44Å; F273-Y342 VanDerWaalsContact CB-CE1 3.44Å; F273-Y342 AromaticContact CD1-CD1 3.51Å; F273-Y342 HydrophobicContact CD1-CD1 3.51Å; F273-Y342 AromaticContact CD1-CE1 3.9Å; F273-Y342 HydrophobicContact CD1-CE1 3.9Å; F273-Y342 HydrophobicContact CD2-CD1 4.11Å; F273-Y342 AromaticContact CD2-CE1 3.66Å; F273-Y342 HydrophobicContact CD2-CE1 3.66Å; F273-Y342 HydrophobicContact CE1-CD1 4.03Å; F273-Y342 HydrophobicContact CE2-CE1 4.32Å; F273-Y342 AromaticContact CG-CD1 3.55Å; F273-Y342 HydrophobicContact CG-CD1 3.55Å; F273-Y342 AromaticContact CG-CE1 3.4Å; F273-Y342 HydrophobicContact CG-CE1 3.4Å; F273-Y342 VanDerWaalsContact CG-CE1 3.4Å; F273-I345 HydrophobicContact CE1-CD1 3.98Å; F273-I345 HydrophobicContact CE1-CG1 3.74Å; F273-I345 HydrophobicContact CZ-CD1 4.16Å; F273-I345 HydrophobicContact CZ-CG1 4.03Å
274	A	90.2	Very high	78.5	Confident	13 Å²	13	46.7 Å²	46.7	11%	0.107	28%	0.276	C	S	.	.			trans	58.1	34.9	176.5	0	0	0	0	0	114	D271 S276 L277 S278 T309 L341	D271-A274 PolarHBondContact O-N 3.02Å; D271-A274 PolarHBondContact OD1-N 3.21Å; D271-A274 WeakPolarHBondContact OD2-CA 3.19Å; A274-S276 PolarHBondContact O-N 3.36Å; A274-L277 HydrophobicContact CB-CB 4.22Å; A274-L277 HydrophobicContact CB-CD1 4.14Å; A274-L277 PolarHBondContact O-N 3.22Å; A274-S278 PolarHBondContact O-N 3.3Å; A274-S278 PolarHBondContact O-OG 3.4Å; A274-T309 HydrophobicContact CB-CG2 3.85Å; A274-L341 HydrophobicContact CB-CD1 3.72Å; A274-L341 HydrophobicContact CB-CG 4.48Å
275	E	86.4	Confident	78.2	Confident	79 Å²	79	46.4 Å²	46.4	37%	0.369	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.6	-179.4	-67.7	178.1	-171.2	0	0	113	R245 D271 F273 L277 S278 Y342	R245-E275 PolarHBondContact NH1-O 3.18Å; D271-E275 PolarHBondContact OD1-N 3.19Å; D271-E275 PolarHBondContact OD2-N 3.2Å; D271-E275 VanDerWaalsContact OD2-N 3.11Å; F273-E275 VanDerWaalsContact C-N 3.29Å; F273-E275 HydrophobicContact CB-CG 4.38Å; F273-E275 PolarHBondContact O-N 3.42Å; E275-L277 VanDerWaalsContact C-N 3.35Å; E275-S278 WeakPolarHBondContact CA-OG 3.12Å; E275-Y342 PolarHBondContact OE1-OH 3.21Å
276	S	84.3	Confident	77.9	Confident	11 Å²	11	49.9 Å²	49.9	8%	0.077	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-19.4	174	68.3	0	0	0	0	113.2	D271 A274 P287	D271-S276 WeakPolarHBondContact OD2-CB 3.35Å; D271-S276 PolarHBondContact OD2-N 2.59Å; D271-S276 PolarHBondContact OD2-OG 3.29Å; A274-S276 PolarHBondContact O-N 3.36Å; S276-P287 WeakPolarHBondContact O-CA 3.25Å
277	L	81.8	Confident	77.6	Confident	18 Å²	18	50.1 Å²	50.1	9%	0.094	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-18.2	-178.7	-57.3	175.3	0	0	0	112.1	A274 E275 Q285 P287 V307 T309 W413 F423	A274-L277 HydrophobicContact CB-CB 4.22Å; A274-L277 HydrophobicContact CB-CD1 4.14Å; A274-L277 PolarHBondContact O-N 3.22Å; E275-L277 VanDerWaalsContact C-N 3.35Å; L277-Q285 HydrophobicContact CD2-CB 4.41Å; L277-P287 HydrophobicContact CD2-CB 4.16Å; L277-P287 HydrophobicContact CD2-CG 3.93Å; L277-V307 HydrophobicContact CD1-CG1 4.32Å; L277-T309 HydrophobicContact CD1-CG2 4.06Å; L277-W413 HydrophobicContact CD1-CD2 3.62Å; L277-W413 HydrophobicContact CD1-CE3 4.11Å; L277-W413 HydrophobicContact CD1-CG 3.82Å; L277-W413 HydrophobicContact CD1-CZ2 4.24Å; L277-F423 HydrophobicContact CD2-CB 4.28Å
278	S	67.3	Low	77.3	Confident	53 Å²	53	50.8 Å²	50.8	37%	0.371	29%	0.289	S	S	.	.	S	Bend	trans	-90.6	121.6	175.7	33.2	0	0	0	0	111	A274 E275	A274-S278 PolarHBondContact O-N 3.3Å; A274-S278 PolarHBondContact O-OG 3.4Å; E275-S278 WeakPolarHBondContact CA-OG 3.12Å
279	G	51.4	Low	77	Confident	80 Å²	80	56.6 Å²	56.6	83%	0.825	31%	0.312	S	S	*	.			trans	119.5	18.1	171.7	0	0	0	0	0	118.1
280	G	42.3	Very low	76.6	Confident	46 Å²	46	60.4 Å²	60.4	47%	0.474	33%	0.326	S	S	.	.			trans	-74.2	129.5	167.2	0	0	0	0	0	111.8	N282	G280-N282 PolarHBondContact O-N 3.13Å
281	Q	39.6	Very low	76.1	Confident	189 Å²	189	62.5 Å²	62.5	88%	0.883	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	120.4	160.6	-88.9	179.4	-24	0	0	108.1
282	N	44.4	Very low	75.9	Confident	141 Å²	141	65.2 Å²	65.2	75%	0.754	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	45.8	178	-51.5	-26.5	0	0	0	117.9	G280 L284	G280-N282 PolarHBondContact O-N 3.13Å; N282-L284 WeakPolarHBondContact O-CG 3.48Å; N282-L284 PolarHBondContact O-N 3.05Å
283	D	54.8	Low	75.9	Confident	166 Å²	166	74.2 Å²	74.2	89%	0.888	41%	0.406	S	S	*	.	S	Bend	trans	59.6	5	166.1	-66.8	-28.4	0	0	0	117.2
284	L	65.6	Low	75.9	Confident	61 Å²	61	75.6 Å²	75.6	32%	0.319	41%	0.414	S	S	.	.			trans	-93.3	117.8	-177.7	-72.4	159.6	0	0	0	110.9	N282 R286 E422	N282-L284 WeakPolarHBondContact O-CG 3.48Å; N282-L284 PolarHBondContact O-N 3.05Å; L284-R286 HydrophobicContact CB-CG 4.43Å; L284-R286 PolarHBondContact O-N 3.47Å; L284-R286 VanDerWaalsContact O-N 3.08Å; L284-E422 HydrophobicContact CD2-CG 4.42Å; L284-E422 WeakPolarHBondContact CD2-OE2 3.28Å
285	Q	82.4	Confident	76	Confident	57 Å²	57	75.8 Å²	75.8	27%	0.266	41%	0.414	S	S	.	.			trans	-79.4	92.7	-178.7	-59.6	-166.6	16.3	0	0	111.6	L277 W413 F423	L277-Q285 HydrophobicContact CD2-CB 4.41Å; Q285-W413 VanDerWaalsContact CD-CZ3 3.47Å; Q285-W413 VanDerWaalsContact OE1-CH2 3.3Å; Q285-F423 PolarHBondContact O-N 3.37Å
286	R	87.3	Confident	76.2	Confident	80 Å²	80	78.1 Å²	78.1	30%	0.302	42%	0.424	S	S	.	.			trans	-126.6	81.6	-176.1	-64.6	178.8	-178.8	175.9	1.4	110.9	L284 W288 Y289 S420	L284-R286 HydrophobicContact CB-CG 4.43Å; L284-R286 PolarHBondContact O-N 3.47Å; L284-R286 VanDerWaalsContact O-N 3.08Å; R286-W288 HydrophobicContact CB-CZ2 4.26Å; R286-W288 HydrophobicContact CG-CZ2 4.09Å; R286-W288 PolarHBondContact O-N 3.11Å; R286-W288 VanDerWaalsContact O-N 3.08Å; R286-Y289 PolarHBondContact O-N 3.37Å; R286-Y289 VanDerWaalsContact O-N 3.11Å; R286-S420 PolarHBondContact NE-O 3.49Å
287	P	87.8	Confident	76.6	Confident	4 Å²	4	77.9 Å²	77.9	3%	0.026	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.9	-175.3	24.1	-33.4	0	0	0	113.6	S276 L277 R290 F302 F423	S276-P287 WeakPolarHBondContact O-CA 3.25Å; L277-P287 HydrophobicContact CD2-CB 4.16Å; L277-P287 HydrophobicContact CD2-CG 3.93Å; P287-R290 PolarHBondContact O-NH1 3.31Å; P287-F302 HydrophobicContact CB-CE1 4.15Å; P287-F302 HydrophobicContact CG-CD1 4.2Å; P287-F302 HydrophobicContact CG-CE1 4.21Å; P287-F423 HydrophobicContact CG-CD1 4.36Å; P287-F423 HydrophobicContact CG-CD2 3.78Å; P287-F423 HydrophobicContact CG-CE1 4.46Å; P287-F423 HydrophobicContact CG-CE2 3.89Å; P287-F423 HydrophobicContact CG-CG 4.03Å; P287-F423 HydrophobicContact CG-CZ 4.24Å
288	W	89.3	Confident	77.1	Confident	14 Å²	14	77 Å²	77	5%	0.053	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-18.5	179.1	54.7	-93.7	0	0	0	114.9	R249 R286 D295 A298 K299 F302 G421 F423	R249-W288 PolarHBondContact NE-O 3.35Å; R286-W288 HydrophobicContact CB-CZ2 4.26Å; R286-W288 HydrophobicContact CG-CZ2 4.09Å; R286-W288 PolarHBondContact O-N 3.11Å; R286-W288 VanDerWaalsContact O-N 3.08Å; W288-D295 HydrophobicContact CZ3-CB 4.37Å; W288-A298 HydrophobicContact CB-CB 4.07Å; W288-K299 HydrophobicContact CD2-CB 3.86Å; W288-K299 HydrophobicContact CD2-CG 4.12Å; W288-K299 HydrophobicContact CE3-CB 3.7Å; W288-K299 HydrophobicContact CE3-CG 4.28Å; W288-K299 HydrophobicContact CH2-CB 4.17Å; W288-K299 HydrophobicContact CH2-CD 3.86Å; W288-K299 HydrophobicContact CH2-CG 3.99Å; W288-K299 HydrophobicContact CZ2-CB 4.3Å; W288-K299 HydrophobicContact CZ2-CD 3.98Å; W288-K299 HydrophobicContact CZ2-CG 3.81Å; W288-K299 HydrophobicContact CZ3-CB 3.86Å; W288-K299 HydrophobicContact CZ3-CD 4.32Å; W288-K299 HydrophobicContact CZ3-CG 4.21Å; W288-F302 HydrophobicContact CB-CB 4.15Å; W288-F302 HydrophobicContact CB-CD1 3.88Å; W288-F302 HydrophobicContact CB-CD2 3.73Å; W288-F302 HydrophobicContact CB-CE1 4.14Å; W288-F302 HydrophobicContact CB-CE2 3.97Å; W288-F302 HydrophobicContact CB-CG 3.66Å; W288-F302 HydrophobicContact CB-CZ 4.17Å; W288-F302 HydrophobicContact CG-CB 4.46Å; W288-F302 HydrophobicContact CG-CG 4.42Å; W288-G421 PolarHBondContact NE1-O 3Å; W288-F423 AromaticContact CD1-CE2 3.96Å
289	Y	89.6	Confident	78.3	Confident	123 Å²	123	76.2 Å²	76.2	48%	0.482	41%	0.408	S	S	.	.			trans	-83.4	132.9	-170.7	-179.1	-103.2	0	0	0	111.9	R286 D295	R286-Y289 PolarHBondContact O-N 3.37Å; R286-Y289 VanDerWaalsContact O-N 3.11Å; Y289-D295 WeakPolarHBondContact CD2-OD2 3.43Å; Y289-D295 VanDerWaalsContact CE2-OD2 3.24Å; Y289-D295 WeakPolarHBondContact CE2-OD2 3.21Å
290	R	88	Confident	80.2	Confident	84 Å²	84	75.3 Å²	75.3	32%	0.317	38%	0.383	S	S	.	.			trans	-133.9	-8.1	173.2	-67	-65.4	-178.1	-78	-4.3	114	D246 R249 P287 D295	D246-R290 IonicContact OD1-CZ 3.82Å; D246-R290 IonicContact OD1-NE 2.84Å; D246-R290 PolarHBondContact OD1-NE 2.89Å; D246-R290 IonicContact OD1-NH2 3.19Å; D246-R290 PolarHBondContact OD1-NH2 3.16Å; R249-R290 VanDerWaalsContact CD-CG 3.48Å; R249-R290 VanDerWaalsContact NE-CG 3.34Å; P287-R290 PolarHBondContact O-NH1 3.31Å; R290-D295 PolarHBondContact N-OD1 2.98Å
291	G	87.3	Confident	82.6	Confident	51 Å²	51	73.1 Å²	73.1	53%	0.526	36%	0.36	S	S	.	.	S	Bend	trans	78.4	25.3	-175.7	0	0	0	0	0	113.6	D295	G291-D295 WeakPolarHBondContact CA-OD2 3.28Å; G291-D295 PolarHBondContact N-OD2 3.07Å
292	D	90.3	Very high	85.2	Confident	70 Å²	70	64.2 Å²	64.2	37%	0.374	32%	0.319	S	S	.	.	S	Bend	trans	-112.5	177.3	-178.9	72.8	22.4	0	0	0	112.6	R249 D294 D295	R249-D292 IonicContact CZ-OD1 3.62Å; R249-D292 IonicContact CZ-OD2 3.65Å; R249-D292 VanDerWaalsContact CZ-OD2 3.28Å; R249-D292 IonicContact NH1-OD1 2.72Å; R249-D292 IonicContact NH1-OD2 2.75Å; R249-D292 PolarHBondContact NH1-OD2 2.8Å; R249-D292 IonicContact NH2-OD1 3.69Å; R249-D292 PolarHBondContact NH2-OD1 3.1Å; R249-D292 IonicContact NH2-OD2 3.77Å; R249-D292 PolarHBondContact NH2-OD2 2.9Å; R249-D292 VanDerWaalsContact NH2-OD2 3.11Å; D292-D294 PolarHBondContact O-N 3.19Å; D292-D294 WeakPolarHBondContact OD1-CA 3.46Å; D292-D294 WeakPolarHBondContact OD1-CB 3.29Å; D292-D294 PolarHBondContact OD1-N 3.25Å; D292-D295 PolarHBondContact N-OD2 2.87Å; D292-D295 PolarHBondContact O-N 3.12Å; D292-D295 PolarHBondContact OD1-N 3.3Å
293	E	91.3	Very high	87.4	Confident	199 Å²	199	61.3 Å²	61.3	93%	0.93	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.5	-179.2	-60.7	-176.6	175.3	0	0	113.6
294	D	92.5	Very high	89.2	Confident	48 Å²	48	53.6 Å²	53.6	26%	0.257	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.2	-176.2	-79.5	-33.7	0	0	0	112.7	V253 K257 D292 H296 A297 A298	V253-D294 HydrophobicContact CG1-CB 4.03Å; V253-D294 HydrophobicContact CG2-CB 4.2Å; K257-D294 WeakPolarHBondContact CE-OD1 3.45Å; K257-D294 IonicContact NZ-OD1 2.78Å; K257-D294 PolarHBondContact NZ-OD1 2.89Å; K257-D294 IonicContact NZ-OD2 2.65Å; K257-D294 PolarHBondContact NZ-OD2 3.34Å; D292-D294 PolarHBondContact O-N 3.19Å; D292-D294 WeakPolarHBondContact OD1-CA 3.46Å; D292-D294 WeakPolarHBondContact OD1-CB 3.29Å; D292-D294 PolarHBondContact OD1-N 3.25Å; D294-H296 VanDerWaalsContact C-N 3.28Å; D294-H296 PolarHBondContact O-N 3.22Å; D294-A297 WeakPolarHBondContact O-CB 3.3Å; D294-A297 PolarHBondContact O-N 3.42Å; D294-A298 PolarHBondContact O-N 2.66Å
295	D	91.5	Very high	90.6	Very high	18 Å²	18	50.7 Å²	50.7	10%	0.096	24%	0.241	C	C	.	.	H	α-helix	trans	-58	-36.4	-177.8	-84.3	-19	0	0	0	113.7	R249 W288 Y289 R290 G291 D292 A298 K299	R249-D295 IonicContact CZ-OD1 2.73Å; R249-D295 IonicContact NH2-OD1 2.97Å; R249-D295 PolarHBondContact NH2-OD1 3.01Å; W288-D295 HydrophobicContact CZ3-CB 4.37Å; Y289-D295 WeakPolarHBondContact CD2-OD2 3.43Å; Y289-D295 VanDerWaalsContact CE2-OD2 3.24Å; Y289-D295 WeakPolarHBondContact CE2-OD2 3.21Å; R290-D295 PolarHBondContact N-OD1 2.98Å; G291-D295 WeakPolarHBondContact CA-OD2 3.28Å; G291-D295 PolarHBondContact N-OD2 3.07Å; D292-D295 PolarHBondContact N-OD2 2.87Å; D292-D295 PolarHBondContact O-N 3.12Å; D292-D295 PolarHBondContact OD1-N 3.3Å; D295-A298 PolarHBondContact O-N 3.22Å; D295-K299 VanDerWaalsContact O-CB 3.31Å; D295-K299 WeakPolarHBondContact O-CB 3.24Å; D295-K299 PolarHBondContact O-N 3.19Å
296	H	91.3	Very high	91.2	Very high	128 Å²	128	48 Å²	48	59%	0.593	23%	0.228	S	C	*	.	H	α-helix	trans	-64.7	-44	176	-175.1	71.7	0	0	0	111.4	D294 M300	D294-H296 VanDerWaalsContact C-N 3.28Å; D294-H296 PolarHBondContact O-N 3.22Å; H296-M300 WeakPolarHBondContact O-CG 3.47Å; H296-M300 PolarHBondContact O-N 3.49Å
297	A	92.8	Very high	91.6	Very high	5 Å²	5	44.1 Å²	44.1	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-44.7	176.5	0	0	0	0	0	111.1	V253 W256 D294 M300 A301	V253-A297 HydrophobicContact CG1-CB 4.42Å; W256-A297 HydrophobicContact CB-CB 4.4Å; W256-A297 HydrophobicContact CD2-CB 3.63Å; W256-A297 HydrophobicContact CE3-CB 3.34Å; W256-A297 HydrophobicContact CG-CB 4.1Å; W256-A297 HydrophobicContact CH2-CB 4.48Å; W256-A297 HydrophobicContact CZ3-CB 3.82Å; D294-A297 WeakPolarHBondContact O-CB 3.3Å; D294-A297 PolarHBondContact O-N 3.42Å; A297-M300 PolarHBondContact O-N 2.91Å; A297-A301 WeakPolarHBondContact O-CB 3.38Å; A297-A301 PolarHBondContact O-N 3.17Å
298	A	92.9	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-48.5	177.9	0	0	0	0	0	111.2	R249 V253 W288 D294 D295 M300 A301 F302	R249-A298 HydrophobicContact CG-CB 4.33Å; V253-A298 HydrophobicContact CG2-CB 3.72Å; W288-A298 HydrophobicContact CB-CB 4.07Å; D294-A298 PolarHBondContact O-N 2.66Å; D295-A298 PolarHBondContact O-N 3.22Å; A298-M300 VanDerWaalsContact C-N 3.32Å; A298-M300 PolarHBondContact O-N 2.93Å; A298-A301 PolarHBondContact O-N 3.35Å; A298-A301 VanDerWaalsContact O-N 3.16Å; A298-F302 WeakPolarHBondContact O-CB 3.14Å; A298-F302 WeakPolarHBondContact O-CD2 3.42Å; A298-F302 PolarHBondContact O-N 2.96Å
299	K	92.2	Very high	92.2	Very high	37 Å²	37	43.4 Å²	43.4	16%	0.161	21%	0.21	C	C	.	.	H	α-helix	trans	-56.9	-45.6	177.7	-171.9	-172.6	-175.8	-165.2	0	112.2	W288 D295 P418 E419	W288-K299 HydrophobicContact CD2-CB 3.86Å; W288-K299 HydrophobicContact CD2-CG 4.12Å; W288-K299 HydrophobicContact CE3-CB 3.7Å; W288-K299 HydrophobicContact CE3-CG 4.28Å; W288-K299 HydrophobicContact CH2-CB 4.17Å; W288-K299 HydrophobicContact CH2-CD 3.86Å; W288-K299 HydrophobicContact CH2-CG 3.99Å; W288-K299 HydrophobicContact CZ2-CB 4.3Å; W288-K299 HydrophobicContact CZ2-CD 3.98Å; W288-K299 HydrophobicContact CZ2-CG 3.81Å; W288-K299 HydrophobicContact CZ3-CB 3.86Å; W288-K299 HydrophobicContact CZ3-CD 4.32Å; W288-K299 HydrophobicContact CZ3-CG 4.21Å; D295-K299 VanDerWaalsContact O-CB 3.31Å; D295-K299 WeakPolarHBondContact O-CB 3.24Å; D295-K299 PolarHBondContact O-N 3.19Å; K299-P418 VanDerWaalsContact CE-O 3.23Å; K299-P418 WeakPolarHBondContact CE-O 3.42Å; K299-P418 PolarHBondContact NZ-O 3.47Å; K299-E419 PolarHBondContact NZ-O 3.07Å
300	M	90.9	Very high	92.5	Very high	61 Å²	61	37.7 Å²	37.7	30%	0.3	19%	0.188	S	C	.	.	H	α-helix	trans	-65.7	-40.1	178.8	-69.3	-59.8	-67.9	0	0	111.6	H296 A297 A298 R303	H296-M300 WeakPolarHBondContact O-CG 3.47Å; H296-M300 PolarHBondContact O-N 3.49Å; A297-M300 PolarHBondContact O-N 2.91Å; A298-M300 VanDerWaalsContact C-N 3.32Å; A298-M300 PolarHBondContact O-N 2.93Å; M300-R303 VanDerWaalsContact SD-CZ 3.53Å
301	A	92.9	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68.3	-39.7	179.7	0	0	0	0	0	113	M252 W256 L262 A297 A298 R303 S304	M252-A301 HydrophobicContact CB-CB 3.82Å; M252-A301 HydrophobicContact CE-CB 4.07Å; M252-A301 WeakPolarHBondContact CE-O 3.29Å; M252-A301 VanDerWaalsContact O-CB 3.24Å; M252-A301 WeakPolarHBondContact O-CB 3.33Å; W256-A301 HydrophobicContact CB-CB 4.25Å; L262-A301 HydrophobicContact CD1-CB 3.91Å; A297-A301 WeakPolarHBondContact O-CB 3.38Å; A297-A301 PolarHBondContact O-N 3.17Å; A298-A301 PolarHBondContact O-N 3.35Å; A298-A301 VanDerWaalsContact O-N 3.16Å; A301-R303 PolarHBondContact O-N 3.38Å; A301-R303 VanDerWaalsContact O-N 3.11Å; A301-S304 PolarHBondContact O-N 3.4Å; A301-S304 PolarHBondContact O-OG 2.83Å
302	F	93.3	Very high	92.6	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-67.7	-8.5	-177.7	-89.7	-116.3	0	0	0	114.4	L248 R249 M252 P287 W288 A298 S304 V305 M415 F423	L248-F302 HydrophobicContact CD2-CE1 4.03Å; L248-F302 HydrophobicContact CD2-CZ 3.99Å; L248-F302 HydrophobicContact CG-CZ 4.28Å; R249-F302 HydrophobicContact CB-CE2 4.45Å; R249-F302 HydrophobicContact CB-CZ 4.35Å; R249-F302 HydrophobicContact CG-CE2 4.42Å; M252-F302 HydrophobicContact CB-CD2 3.96Å; M252-F302 HydrophobicContact CB-CE2 3.75Å; M252-F302 HydrophobicContact CG-CD2 4.14Å; M252-F302 HydrophobicContact CG-CE2 3.87Å; P287-F302 HydrophobicContact CB-CE1 4.15Å; P287-F302 HydrophobicContact CG-CD1 4.2Å; P287-F302 HydrophobicContact CG-CE1 4.21Å; W288-F302 HydrophobicContact CB-CB 4.15Å; W288-F302 HydrophobicContact CB-CD1 3.88Å; W288-F302 HydrophobicContact CB-CD2 3.73Å; W288-F302 HydrophobicContact CB-CE1 4.14Å; W288-F302 HydrophobicContact CB-CE2 3.97Å; W288-F302 HydrophobicContact CB-CG 3.66Å; W288-F302 HydrophobicContact CB-CZ 4.17Å; W288-F302 HydrophobicContact CG-CB 4.46Å; W288-F302 HydrophobicContact CG-CG 4.42Å; A298-F302 WeakPolarHBondContact O-CB 3.14Å; A298-F302 WeakPolarHBondContact O-CD2 3.42Å; A298-F302 PolarHBondContact O-N 2.96Å; F302-S304 PolarHBondContact O-N 3.25Å; F302-V305 HydrophobicContact CB-CG2 4.47Å; F302-V305 HydrophobicContact CD1-CB 4.19Å; F302-V305 HydrophobicContact CD1-CG1 4.31Å; F302-V305 HydrophobicContact CD1-CG2 4.23Å; F302-V305 HydrophobicContact CG-CB 4.43Å; F302-V305 HydrophobicContact CG-CG2 4.16Å; F302-V305 WeakPolarHBondContact O-CB 3.43Å; F302-V305 PolarHBondContact O-N 3.07Å; F302-M415 HydrophobicContact CB-CE 4.15Å; F302-F423 HydrophobicContact CB-CE2 4.44Å; F302-F423 HydrophobicContact CB-CZ 4.23Å; F302-F423 HydrophobicContact CD1-CE2 4.47Å; F302-F423 HydrophobicContact CD1-CZ 4.15Å
303	R	91.8	Very high	92.7	Very high	81 Å²	81	34.2 Å²	34.2	31%	0.306	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-58.4	-27.8	169.2	-66	178.4	174.6	-171.6	-2.2	112.8	M300 A301 M415 P444	M300-R303 VanDerWaalsContact SD-CZ 3.53Å; A301-R303 PolarHBondContact O-N 3.38Å; A301-R303 VanDerWaalsContact O-N 3.11Å; R303-M415 HydrophobicContact CG-CE 4.37Å; R303-M415 HydrophobicContact CG-SD 3.81Å; R303-P444 HydrophobicContact CB-CG 4.09Å; R303-P444 WeakPolarHBondContact O-CG 3.38Å
304	S	93	Very high	92.4	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.021	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-88	-3.4	176.6	64.1	0	0	0	0	113.8	M252 F267 A301 F302	M252-S304 WeakPolarHBondContact CE-OG 3.43Å; F267-S304 WeakPolarHBondContact CD2-OG 3.37Å; F267-S304 PolarHBondContact N-O 2.88Å; A301-S304 PolarHBondContact O-N 3.4Å; A301-S304 PolarHBondContact O-OG 2.83Å; F302-S304 PolarHBondContact O-N 3.25Å
305	V	94.8	Very high	92.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	137.3	-176.6	179.7	0	0	0	0	110.1	L248 M252 F267 F269 F302 V307	L248-V305 HydrophobicContact CD2-CG1 4.42Å; M252-V305 HydrophobicContact CE-CG2 3.76Å; M252-V305 HydrophobicContact CG-CG2 4.02Å; M252-V305 HydrophobicContact SD-CG2 3.96Å; F267-V305 HydrophobicContact CB-CG2 3.99Å; F267-V305 CarbonylContact O-C 3.6Å; F267-V305 WeakPolarHBondContact O-CA 3.42Å; F269-V305 HydrophobicContact CB-CG1 3.98Å; F302-V305 HydrophobicContact CB-CG2 4.47Å; F302-V305 HydrophobicContact CD1-CB 4.19Å; F302-V305 HydrophobicContact CD1-CG1 4.31Å; F302-V305 HydrophobicContact CD1-CG2 4.23Å; F302-V305 HydrophobicContact CG-CB 4.43Å; F302-V305 HydrophobicContact CG-CG2 4.16Å; F302-V305 WeakPolarHBondContact O-CB 3.43Å; F302-V305 PolarHBondContact O-N 3.07Å; V305-V307 HydrophobicContact CG1-CG2 4.39Å
306	K	94.5	Very high	92.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.3	166	-51.7	-66.5	-179.8	-111.3	0	107.9	V266 F267 L268 F269 V412 W413 D414 R442	V266-K306 HydrophobicContact CG2-CG 4.4Å; F267-K306 PolarHBondContact O-N 2.73Å; L268-K306 HydrophobicContact CD2-CB 3.91Å; L268-K306 HydrophobicContact CD2-CG 4.15Å; F269-K306 PolarHBondContact N-O 2.91Å; K306-V412 HydrophobicContact CB-CG1 4.23Å; K306-W413 WeakPolarHBondContact CA-O 3.48Å; K306-D414 HydrophobicContact CD-CB 3.74Å; K306-D414 WeakPolarHBondContact CD-OD1 3.2Å; K306-D414 VanDerWaalsContact CE-OD1 3.24Å; K306-D414 WeakPolarHBondContact CE-OD1 3.49Å; K306-D414 WeakPolarHBondContact CE-OD2 3.39Å; K306-D414 IonicContact NZ-OD1 2.69Å; K306-D414 PolarHBondContact NZ-OD1 2.85Å; K306-D414 IonicContact NZ-OD2 3.12Å; K306-D414 PolarHBondContact NZ-OD2 3.45Å; K306-D414 VanDerWaalsContact NZ-OD2 3.12Å; K306-R442 WeakPolarHBondContact CE-O 3.32Å; K306-R442 PolarHBondContact NZ-O 2.97Å
307	V	95.3	Very high	92.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.8	179.6	-172.3	0	0	0	0	109.2	F269 D271 L277 V305 T309 W413 F423	F269-V307 HydrophobicContact CD1-CG1 3.92Å; F269-V307 HydrophobicContact CD1-CG2 4.12Å; F269-V307 CarbonylContact O-C 3.57Å; F269-V307 WeakPolarHBondContact O-CA 3.45Å; D271-V307 HydrophobicContact CB-CG1 3.76Å; L277-V307 HydrophobicContact CD1-CG1 4.32Å; V305-V307 HydrophobicContact CG1-CG2 4.39Å; V307-T309 HydrophobicContact CG1-CG2 4.03Å; V307-W413 HydrophobicContact CB-CB 4.07Å; V307-W413 PolarHBondContact N-O 2.85Å; V307-W413 PolarHBondContact O-N 3.27Å; V307-F423 HydrophobicContact CG2-CD1 4.14Å; V307-F423 HydrophobicContact CG2-CE1 4.09Å
308	L	95.6	Very high	92.6	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.5	-178.6	-54.4	177.9	0	0	0	108.8	F165 Y240 L268 F269 I270 D271 V412	F165-L308 HydrophobicContact CE1-CD1 3.92Å; F165-L308 HydrophobicContact CE1-CD2 3.85Å; F165-L308 HydrophobicContact CE1-CG 4.34Å; F165-L308 HydrophobicContact CZ-CD2 3.85Å; Y240-L308 HydrophobicContact CD1-CD1 4.34Å; Y240-L308 HydrophobicContact CE1-CD1 4.19Å; L268-L308 HydrophobicContact CB-CD1 3.98Å; F269-L308 PolarHBondContact O-N 3.08Å; I270-L308 HydrophobicContact CG1-CD1 4.1Å; D271-L308 CarbonylContact C-O 3.55Å; D271-L308 PolarHBondContact N-O 2.95Å; D271-L308 VanDerWaalsContact O-O 3.12Å; L308-V412 HydrophobicContact CD2-CB 4.36Å; L308-V412 HydrophobicContact CD2-CG1 4.08Å; L308-V412 HydrophobicContact CD2-CG2 3.87Å
309	T	95.4	Very high	92.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	165.8	-177.8	75.4	0	0	0	0	110.4	D271 A274 L277 V307 F410 A411 W413	D271-T309 WeakPolarHBondContact O-CG2 3.38Å; A274-T309 HydrophobicContact CB-CG2 3.85Å; L277-T309 HydrophobicContact CD1-CG2 4.06Å; V307-T309 HydrophobicContact CG1-CG2 4.03Å; T309-F410 WeakPolarHBondContact O-CA 3.36Å; T309-A411 PolarHBondContact N-O 3.35Å; T309-A411 PolarHBondContact O-N 2.9Å; T309-W413 VanDerWaalsContact CG2-NE1 3.32Å; T309-W413 PolarHBondContact OG1-NE1 3.2Å
310	Y	94.2	Very high	92.7	Very high	3 Å²	3	45 Å²	45	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	153.1	159.3	-62.9	-49.6	0	0	0	110.5	P157 L272 F273 L344 T408 F410	P157-Y310 HydrophobicContact CB-CD1 4Å; P157-Y310 HydrophobicContact CB-CE1 3.26Å; P157-Y310 HydrophobicContact CB-CE2 3.93Å; P157-Y310 VanDerWaalsContact CB-OH 3.28Å; P157-Y310 WeakPolarHBondContact CB-OH 3.28Å; P157-Y310 HydrophobicContact CG-CD1 4.14Å; P157-Y310 HydrophobicContact CG-CD2 4.22Å; P157-Y310 HydrophobicContact CG-CE1 3.84Å; P157-Y310 HydrophobicContact CG-CE2 3.9Å; P157-Y310 HydrophobicContact CG-CG 4.34Å; L272-Y310 HydrophobicContact CB-CD2 4.08Å; L272-Y310 HydrophobicContact CB-CE2 3.66Å; L272-Y310 HydrophobicContact CD2-CE1 4.08Å; L272-Y310 HydrophobicContact CG-CE2 4.47Å; L272-Y310 WeakPolarHBondContact O-CD2 3.43Å; L272-Y310 PolarHBondContact O-N 2.92Å; F273-Y310 HydrophobicContact CD1-CD2 4.18Å; F273-Y310 HydrophobicContact CD1-CE2 4.34Å; F273-Y310 HydrophobicContact CE1-CD2 4.09Å; F273-Y310 AromaticContact CE1-CE2 3.94Å; F273-Y310 HydrophobicContact CE1-CE2 3.94Å; F273-Y310 HydrophobicContact CZ-CE2 4.12Å; Y310-L344 HydrophobicContact CG-CD2 4.48Å; Y310-T408 HydrophobicContact CD1-CG2 3.71Å; Y310-T408 HydrophobicContact CE1-CG2 3.85Å; Y310-F410 AromaticContact CD1-CD1 3.98Å; Y310-F410 HydrophobicContact CD1-CD1 3.98Å; Y310-F410 AromaticContact CD1-CE1 3.62Å; Y310-F410 HydrophobicContact CD1-CE1 3.62Å; Y310-F410 HydrophobicContact CD1-CZ 4.3Å; Y310-F410 HydrophobicContact CE1-CD1 4.27Å; Y310-F410 AromaticContact CE1-CE1 3.46Å; Y310-F410 HydrophobicContact CE1-CE1 3.46Å; Y310-F410 VanDerWaalsContact CE1-CE1 3.46Å; Y310-F410 AromaticContact CE1-CZ 3.96Å; Y310-F410 HydrophobicContact CE1-CZ 3.96Å
311	M	91.3	Very high	92.9	Very high	49 Å²	49	42.4 Å²	42.4	24%	0.241	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-83.5	125.7	172.6	-175.6	63.4	-171.5	0	0	109.8	Q314 D409 A411 V428	M311-Q314 HydrophobicContact CE-CG 4Å; M311-D409 HydrophobicContact CB-CB 3.86Å; M311-D409 PolarHBondContact N-O 3.1Å; M311-A411 HydrophobicContact SD-CB 4Å; M311-V428 HydrophobicContact CG-CG1 4.38Å; M311-V428 HydrophobicContact SD-CG1 4.28Å; M311-V428 HydrophobicContact SD-CG2 4.18Å
312	E	87.9	Confident	92.9	Very high	67 Å²	67	42.9 Å²	42.9	31%	0.313	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-72.3	128.8	172.4	-170	169.4	-147.7	0	0	110.4	Q314 Y318 L341	E312-Q314 PolarHBondContact O-N 3.48Å; E312-Q314 PolarHBondContact O-NE2 2.86Å; E312-Q314 VanDerWaalsContact O-NE2 3.08Å; E312-Y318 HydrophobicContact CG-CE1 3.8Å; E312-L341 HydrophobicContact CB-CD2 3.75Å; E312-L341 HydrophobicContact CG-CD2 4.21Å
313	P	90.8	Very high	92.9	Very high	17 Å²	17	49.3 Å²	49.3	11%	0.11	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-58.8	129.3	175.5	-22.2	32.3	0	0	0	111.7	N315 Y318 L344	P313-N315 VanDerWaalsContact CB-OD1 3.22Å; P313-N315 WeakPolarHBondContact CB-OD1 3.31Å; P313-Y318 HydrophobicContact CB-CD1 3.94Å; P313-Y318 HydrophobicContact CB-CD2 4.13Å; P313-Y318 HydrophobicContact CB-CE1 4.49Å; P313-Y318 HydrophobicContact CB-CG 3.74Å; P313-Y318 HydrophobicContact CG-CD1 4.27Å; P313-Y318 HydrophobicContact CG-CD2 3.98Å; P313-Y318 HydrophobicContact CG-CE1 4.39Å; P313-Y318 HydrophobicContact CG-CE2 4.1Å; P313-Y318 HydrophobicContact CG-CG 4.07Å; P313-Y318 WeakPolarHBondContact O-CD1 3.45Å; P313-L344 HydrophobicContact CG-CD1 3.76Å
314	Q	86.1	Confident	93.1	Very high	125 Å²	125	46.9 Å²	46.9	58%	0.584	22%	0.221	S	C	*	.			trans	-97.5	8.2	-176.8	-61.7	-62	-52.5	0	0	113.1	M311 E312	M311-Q314 HydrophobicContact CE-CG 4Å; E312-Q314 PolarHBondContact O-N 3.48Å; E312-Q314 PolarHBondContact O-NE2 2.86Å; E312-Q314 VanDerWaalsContact O-NE2 3.08Å
315	N	91.9	Very high	93.1	Very high	35 Å²	35	46.7 Å²	46.7	19%	0.187	22%	0.22	C	C	.	.	S	Bend	trans	-83.5	148.8	-176.9	64.7	-71.1	0	0	0	111.8	P313 E317 Y318 F319 V394	P313-N315 VanDerWaalsContact CB-OD1 3.22Å; P313-N315 WeakPolarHBondContact CB-OD1 3.31Å; N315-E317 VanDerWaalsContact C-N 3.26Å; N315-E317 WeakPolarHBondContact CB-OE2 3.37Å; N315-E317 PolarHBondContact ND2-OE2 3.23Å; N315-E317 PolarHBondContact O-N 3.45Å; N315-Y318 PolarHBondContact ND2-N 2.8Å; N315-Y318 PolarHBondContact O-N 2.91Å; N315-Y318 WeakPolarHBondContact OD1-CB 3.36Å; N315-F319 VanDerWaalsContact O-CD2 3.29Å; N315-F319 WeakPolarHBondContact O-CD2 3.25Å; N315-V394 PolarHBondContact ND2-O 3.26Å
316	Q	92.4	Very high	93.1	Very high	165 Å²	165	49.4 Å²	49.4	77%	0.771	23%	0.231	S	C	*	.	H	α-helix	trans	-64.9	-31.4	-174.3	-172.1	174.7	2.8	0	0	112.5	Y318 F319 K320	Q316-Y318 VanDerWaalsContact C-N 3.31Å; Q316-Y318 PolarHBondContact O-N 2.94Å; Q316-F319 PolarHBondContact O-N 3.03Å; Q316-K320 PolarHBondContact O-N 3.27Å; Q316-K320 VanDerWaalsContact O-N 3.11Å
317	E	92.6	Very high	93.1	Very high	115 Å²	115	55.1 Å²	55.1	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-36.7	177.9	-55.7	77.3	-170.2	0	0	111.6	N315 F321	N315-E317 VanDerWaalsContact C-N 3.26Å; N315-E317 WeakPolarHBondContact CB-OE2 3.37Å; N315-E317 PolarHBondContact ND2-OE2 3.23Å; N315-E317 PolarHBondContact O-N 3.45Å; E317-F321 VanDerWaalsContact O-CB 3.27Å; E317-F321 WeakPolarHBondContact O-CB 3.48Å; E317-F321 PolarHBondContact O-N 2.9Å
318	Y	94.1	Very high	93	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-48.1	177.3	179.1	-107.3	0	0	0	111.4	E312 P313 N315 Q316 K320 F321 V322 L344 A347 V394	E312-Y318 HydrophobicContact CG-CE1 3.8Å; P313-Y318 HydrophobicContact CB-CD1 3.94Å; P313-Y318 HydrophobicContact CB-CD2 4.13Å; P313-Y318 HydrophobicContact CB-CE1 4.49Å; P313-Y318 HydrophobicContact CB-CG 3.74Å; P313-Y318 HydrophobicContact CG-CD1 4.27Å; P313-Y318 HydrophobicContact CG-CD2 3.98Å; P313-Y318 HydrophobicContact CG-CE1 4.39Å; P313-Y318 HydrophobicContact CG-CE2 4.1Å; P313-Y318 HydrophobicContact CG-CG 4.07Å; P313-Y318 WeakPolarHBondContact O-CD1 3.45Å; N315-Y318 PolarHBondContact ND2-N 2.8Å; N315-Y318 PolarHBondContact O-N 2.91Å; N315-Y318 WeakPolarHBondContact OD1-CB 3.36Å; Q316-Y318 VanDerWaalsContact C-N 3.31Å; Q316-Y318 PolarHBondContact O-N 2.94Å; Y318-K320 VanDerWaalsContact C-N 3.33Å; Y318-K320 PolarHBondContact O-N 3.21Å; Y318-F321 WeakPolarHBondContact O-CB 3.36Å; Y318-F321 PolarHBondContact O-N 3.07Å; Y318-F321 VanDerWaalsContact O-N 3.15Å; Y318-V322 HydrophobicContact CD1-CG2 4.35Å; Y318-V322 HydrophobicContact CD2-CG2 4.41Å; Y318-V322 HydrophobicContact CE1-CG2 3.95Å; Y318-V322 HydrophobicContact CE2-CG2 4.01Å; Y318-V322 WeakPolarHBondContact O-CG2 3.39Å; Y318-V322 PolarHBondContact O-N 3.29Å; Y318-L344 PolarHBondContact OH-N 2.85Å; Y318-A347 HydrophobicContact CD2-CB 4.14Å; Y318-A347 HydrophobicContact CE2-CB 3.84Å; Y318-V394 WeakPolarHBondContact CA-O 3.25Å; Y318-V394 WeakPolarHBondContact CB-O 3.48Å; Y318-V394 PolarHBondContact N-O 2.82Å
319	F	92.9	Very high	92.9	Very high	87 Å²	87	56.9 Å²	56.9	38%	0.382	26%	0.262	S	S	.	.	H	α-helix	trans	-60.5	-43.3	178.2	-66.7	-64.6	0	0	0	112.1	N315 Q316 V322 E323	N315-F319 VanDerWaalsContact O-CD2 3.29Å; N315-F319 WeakPolarHBondContact O-CD2 3.25Å; Q316-F319 PolarHBondContact O-N 3.03Å; F319-V322 PolarHBondContact O-N 3.23Å; F319-E323 PolarHBondContact O-N 2.8Å
320	K	94.4	Very high	92.8	Very high	134 Å²	134	63.2 Å²	63.2	58%	0.583	29%	0.29	S	S	*	.	H	α-helix	trans	-62.6	-42.9	175.2	-171.8	-179.8	177.8	-176	0	111.7	Q316 Y318 V322 E323 D324	Q316-K320 PolarHBondContact O-N 3.27Å; Q316-K320 VanDerWaalsContact O-N 3.11Å; Y318-K320 VanDerWaalsContact C-N 3.33Å; Y318-K320 PolarHBondContact O-N 3.21Å; K320-V322 VanDerWaalsContact C-N 3.34Å; K320-V322 PolarHBondContact O-N 3.19Å; K320-E323 PolarHBondContact O-N 2.96Å; K320-D324 PolarHBondContact O-N 2.86Å
321	F	95.1	Very high	92.7	Very high	5 Å²	5	70 Å²	70	2%	0.022	32%	0.321	C	S	.	.	H	α-helix	trans	-59.4	-43.4	175.3	167.4	-95.8	0	0	0	111.8	A58 E317 Y318 E323 D324 L325 A347 Y350 V394	A58-F321 HydrophobicContact CB-CE2 4.26Å; A58-F321 HydrophobicContact CB-CZ 3.84Å; E317-F321 VanDerWaalsContact O-CB 3.27Å; E317-F321 WeakPolarHBondContact O-CB 3.48Å; E317-F321 PolarHBondContact O-N 2.9Å; Y318-F321 WeakPolarHBondContact O-CB 3.36Å; Y318-F321 PolarHBondContact O-N 3.07Å; Y318-F321 VanDerWaalsContact O-N 3.15Å; F321-E323 PolarHBondContact O-N 2.9Å; F321-D324 PolarHBondContact O-N 3.49Å; F321-L325 HydrophobicContact CE1-CD2 4.25Å; F321-L325 HydrophobicContact CZ-CD1 4.06Å; F321-L325 VanDerWaalsContact O-CB 3.23Å; F321-L325 WeakPolarHBondContact O-CB 3.12Å; F321-L325 PolarHBondContact O-N 3.04Å; F321-A347 HydrophobicContact CD1-CB 4.03Å; F321-A347 HydrophobicContact CE1-CB 3.58Å; F321-A347 HydrophobicContact CZ-CB 4.27Å; F321-Y350 HydrophobicContact CD2-CD2 4.42Å; F321-Y350 AromaticContact CE2-CD2 3.78Å; F321-Y350 HydrophobicContact CE2-CD2 3.78Å; F321-Y350 AromaticContact CE2-CG 3.99Å; F321-Y350 HydrophobicContact CE2-CG 3.99Å; F321-V394 HydrophobicContact CB-CB 4.19Å; F321-V394 HydrophobicContact CB-CG1 4.41Å; F321-V394 HydrophobicContact CD1-CG2 4.27Å; F321-V394 HydrophobicContact CD2-CB 4.4Å; F321-V394 HydrophobicContact CD2-CG1 4.28Å; F321-V394 HydrophobicContact CD2-CG2 4.14Å; F321-V394 HydrophobicContact CE2-CG2 4.42Å; F321-V394 HydrophobicContact CG-CB 4.19Å; F321-V394 HydrophobicContact CG-CG1 4.46Å; F321-V394 HydrophobicContact CG-CG2 4.06Å
322	V	94.1	Very high	92.6	Very high	10 Å²	10	70.9 Å²	70.9	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-65.5	-38.2	178.6	173.7	0	0	0	0	111.8	Y318 F319 K320 L325 K326 N343	Y318-V322 HydrophobicContact CD1-CG2 4.35Å; Y318-V322 HydrophobicContact CD2-CG2 4.41Å; Y318-V322 HydrophobicContact CE1-CG2 3.95Å; Y318-V322 HydrophobicContact CE2-CG2 4.01Å; Y318-V322 WeakPolarHBondContact O-CG2 3.39Å; Y318-V322 PolarHBondContact O-N 3.29Å; F319-V322 PolarHBondContact O-N 3.23Å; K320-V322 VanDerWaalsContact C-N 3.34Å; K320-V322 PolarHBondContact O-N 3.19Å; V322-L325 PolarHBondContact O-N 3.49Å; V322-K326 HydrophobicContact CG1-CD 4.39Å; V322-K326 WeakPolarHBondContact O-CG 3.15Å; V322-K326 PolarHBondContact O-N 3.11Å; V322-N343 HydrophobicContact CG2-CB 4.18Å
323	E	93.9	Very high	92.6	Very high	136 Å²	136	70.5 Å²	70.5	64%	0.636	33%	0.33	S	S	*	.	H	α-helix	trans	-61.8	-47.1	173.4	-72.9	-178	171.2	0	0	111.9	F319 K320 F321 K326 R327	F319-E323 PolarHBondContact O-N 2.8Å; K320-E323 PolarHBondContact O-N 2.96Å; F321-E323 PolarHBondContact O-N 2.9Å; E323-K326 PolarHBondContact O-N 3.14Å; E323-R327 PolarHBondContact O-N 3.28Å; E323-R327 VanDerWaalsContact O-N 3.11Å
324	D	94.1	Very high	92.7	Very high	30 Å²	30	76.8 Å²	76.8	16%	0.16	36%	0.363	C	S	.	.	H	α-helix	trans	-62.7	-43.8	176.5	-72	-31.4	0	0	0	110.9	K320 F321 K326 R327 D328	K320-D324 PolarHBondContact O-N 2.86Å; F321-D324 PolarHBondContact O-N 3.49Å; D324-K326 PolarHBondContact O-N 3.38Å; D324-R327 PolarHBondContact O-N 3.01Å; D324-R327 IonicContact OD1-CZ 2.95Å; D324-R327 IonicContact OD1-NH1 3.36Å; D324-R327 PolarHBondContact OD1-NH1 2.87Å; D324-R327 IonicContact OD1-NH2 3.28Å; D324-R327 PolarHBondContact OD1-NH2 2.84Å; D324-D328 WeakPolarHBondContact O-CB 3.15Å; D324-D328 PolarHBondContact O-N 2.86Å
325	L	93.9	Very high	92.9	Very high	0 Å²	0	72.5 Å²	72.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.2	-46.1	177.3	-173.8	77.3	0	0	0	111.8	P57 A58 F321 V322 A329 I337 A346	P57-L325 HydrophobicContact CB-CD1 4Å; A58-L325 HydrophobicContact CB-CD1 3.8Å; F321-L325 HydrophobicContact CE1-CD2 4.25Å; F321-L325 HydrophobicContact CZ-CD1 4.06Å; F321-L325 VanDerWaalsContact O-CB 3.23Å; F321-L325 WeakPolarHBondContact O-CB 3.12Å; F321-L325 PolarHBondContact O-N 3.04Å; V322-L325 PolarHBondContact O-N 3.49Å; L325-A329 WeakPolarHBondContact O-CB 3.4Å; L325-A329 PolarHBondContact O-N 2.96Å; L325-I337 HydrophobicContact CD2-CD1 3.95Å; L325-I337 HydrophobicContact CG-CD1 3.8Å; L325-A346 HydrophobicContact CD1-CB 4.33Å; L325-A346 HydrophobicContact CD2-CB 3.85Å
326	K	94.1	Very high	92.9	Very high	56 Å²	56	75.8 Å²	75.8	24%	0.243	36%	0.364	C	S	.	.	H	α-helix	trans	-63.8	-42.4	177.9	-76	173.9	-177.6	174.6	0	112.1	V322 E323 D324 K330 I337 D339	V322-K326 HydrophobicContact CG1-CD 4.39Å; V322-K326 WeakPolarHBondContact O-CG 3.15Å; V322-K326 PolarHBondContact O-N 3.11Å; E323-K326 PolarHBondContact O-N 3.14Å; D324-K326 PolarHBondContact O-N 3.38Å; K326-K330 WeakPolarHBondContact O-CB 3.41Å; K326-K330 PolarHBondContact O-N 2.8Å; K326-I337 HydrophobicContact CG-CB 4.02Å; K326-I337 HydrophobicContact CG-CG2 4.25Å; K326-D339 WeakPolarHBondContact CE-OD1 3.17Å; K326-D339 IonicContact NZ-OD1 2.78Å; K326-D339 PolarHBondContact NZ-OD1 3.2Å; K326-D339 IonicContact NZ-OD2 2.95Å; K326-D339 PolarHBondContact NZ-OD2 3.41Å
327	R	94.8	Very high	92.7	Very high	120 Å²	120	68.3 Å²	68.3	45%	0.453	33%	0.329	S	S	.	.	H	α-helix	trans	-62.3	-52.5	177	-178.7	-175.1	63.4	-129.2	-8.9	110.2	E323 D324 A329 K330 E331	E323-R327 PolarHBondContact O-N 3.28Å; E323-R327 VanDerWaalsContact O-N 3.11Å; D324-R327 PolarHBondContact O-N 3.01Å; D324-R327 IonicContact OD1-CZ 2.95Å; D324-R327 IonicContact OD1-NH1 3.36Å; D324-R327 PolarHBondContact OD1-NH1 2.87Å; D324-R327 IonicContact OD1-NH2 3.28Å; D324-R327 PolarHBondContact OD1-NH2 2.84Å; R327-A329 PolarHBondContact O-N 3.45Å; R327-K330 WeakPolarHBondContact O-CB 3.46Å; R327-K330 PolarHBondContact O-N 2.8Å; R327-K330 VanDerWaalsContact O-N 3.14Å; R327-E331 HydrophobicContact CG-CG 4.47Å; R327-E331 WeakPolarHBondContact CG-OE1 3.47Å; R327-E331 WeakPolarHBondContact O-CG 3.41Å; R327-E331 PolarHBondContact O-N 3.49Å
328	D	93.1	Very high	92.5	Very high	38 Å²	38	70 Å²	70	20%	0.203	34%	0.337	C	S	.	.	H	α-helix	trans	-67.8	-36.9	-173.8	-65.6	2.8	0	0	0	111.8	P57 D324 K330 E331 S332	P57-D328 HydrophobicContact CB-CB 4.02Å; D324-D328 WeakPolarHBondContact O-CB 3.15Å; D324-D328 PolarHBondContact O-N 2.86Å; D328-K330 VanDerWaalsContact C-N 3.33Å; D328-K330 PolarHBondContact O-N 3.21Å; D328-E331 PolarHBondContact O-N 3.38Å; D328-S332 VanDerWaalsContact O-CB 3.26Å; D328-S332 WeakPolarHBondContact O-CB 3.49Å; D328-S332 PolarHBondContact O-N 3.43Å; D328-S332 PolarHBondContact O-OG 3.49Å
329	A	93.4	Very high	92.1	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-41.2	172.7	0	0	0	0	0	112.3	P57 L325 R327 F333 N334 F335 I337	P57-A329 HydrophobicContact CG-CB 3.9Å; L325-A329 WeakPolarHBondContact O-CB 3.4Å; L325-A329 PolarHBondContact O-N 2.96Å; R327-A329 PolarHBondContact O-N 3.45Å; A329-F333 CarbonylContact O-C 3.53Å; A329-F333 WeakPolarHBondContact O-CA 2.93Å; A329-F333 WeakPolarHBondContact O-CB 2.91Å; A329-F333 PolarHBondContact O-N 3.45Å; A329-N334 PolarHBondContact O-N 3.18Å; A329-F335 CarbonylContact C-O 3.54Å; A329-F335 PolarHBondContact O-N 3.12Å; A329-I337 HydrophobicContact CB-CD1 3.48Å; A329-I337 VanDerWaalsContact CB-CD1 3.48Å; A329-I337 HydrophobicContact CB-CG1 3.98Å
330	K	93	Very high	91.9	Very high	135 Å²	135	72.6 Å²	72.6	59%	0.587	36%	0.357	S	S	*	.	H	α-helix	trans	-70.3	-42.6	179	-170.8	173.7	-175.8	175.1	0	111.9	K326 R327 D328 N334 F335	K326-K330 WeakPolarHBondContact O-CB 3.41Å; K326-K330 PolarHBondContact O-N 2.8Å; R327-K330 WeakPolarHBondContact O-CB 3.46Å; R327-K330 PolarHBondContact O-N 2.8Å; R327-K330 VanDerWaalsContact O-N 3.14Å; D328-K330 VanDerWaalsContact C-N 3.33Å; D328-K330 PolarHBondContact O-N 3.21Å; K330-N334 WeakPolarHBondContact O-CA 3.45Å; K330-N334 PolarHBondContact O-N 3.11Å; K330-F335 WeakPolarHBondContact CA-O 3.33Å; K330-F335 PolarHBondContact N-O 3.02Å
331	E	92.8	Very high	91.7	Very high	144 Å²	144	66.9 Å²	66.9	67%	0.673	33%	0.332	S	S	*	.	H	α-helix	trans	-73.1	-45.2	-178.6	-71.4	-179.8	-174.9	0	0	112.8	R327 D328	R327-E331 HydrophobicContact CG-CG 4.47Å; R327-E331 WeakPolarHBondContact CG-OE1 3.47Å; R327-E331 WeakPolarHBondContact O-CG 3.41Å; R327-E331 PolarHBondContact O-N 3.49Å; D328-E331 PolarHBondContact O-N 3.38Å
332	S	89.4	Confident	91.6	Very high	69 Å²	69	68.7 Å²	68.7	48%	0.483	34%	0.34	S	S	.	.	H	α-helix	trans	-91.4	-26.6	-171.8	-60.4	0	0	0	0	113.8	D328	D328-S332 VanDerWaalsContact O-CB 3.26Å; D328-S332 WeakPolarHBondContact O-CB 3.49Å; D328-S332 PolarHBondContact O-N 3.43Å; D328-S332 PolarHBondContact O-OG 3.49Å
333	F	88.5	Confident	91.5	Very high	58 Å²	58	68.3 Å²	68.3	25%	0.254	34%	0.337	S	S	.	.	H	α-helix	trans	-127.9	-1.5	-172.2	-58.4	-83.3	0	0	0	114.2	W52 L53 A56 P57 Y60 A329 F335	W52-F333 AromaticContact NE1-CE1 3.92Å; L53-F333 HydrophobicContact CD2-CB 3.98Å; L53-F333 HydrophobicContact CD2-CD1 4.07Å; L53-F333 HydrophobicContact CD2-CG 4.33Å; A56-F333 HydrophobicContact CB-CE1 4.15Å; A56-F333 HydrophobicContact CB-CE2 4.13Å; A56-F333 HydrophobicContact CB-CZ 3.66Å; P57-F333 HydrophobicContact CG-CD2 3.8Å; P57-F333 HydrophobicContact CG-CE2 3.76Å; Y60-F333 HydrophobicContact CD2-CZ 4.17Å; Y60-F333 AromaticContact CE2-CZ 3.89Å; Y60-F333 HydrophobicContact CE2-CZ 3.89Å; A329-F333 CarbonylContact O-C 3.53Å; A329-F333 WeakPolarHBondContact O-CA 2.93Å; A329-F333 WeakPolarHBondContact O-CB 2.91Å; A329-F333 PolarHBondContact O-N 3.45Å; F333-F335 HydrophobicContact CB-CB 4.47Å; F333-F335 PolarHBondContact O-N 3.47Å
334	N	91.5	Very high	91.5	Very high	149 Å²	149	62.3 Å²	62.3	80%	0.797	31%	0.309	S	S	*	.			trans	52.1	34.8	-175.6	-167.4	42.9	0	0	0	113.1	A329 K330	A329-N334 PolarHBondContact O-N 3.18Å; K330-N334 WeakPolarHBondContact O-CA 3.45Å; K330-N334 PolarHBondContact O-N 3.11Å
335	F	90.7	Very high	91.6	Very high	36 Å²	36	60.9 Å²	60.9	16%	0.158	30%	0.302	C	S	.	.			trans	-113	137.1	-179.9	-177.8	-112	0	0	0	110.3	T46 L53 A329 K330 F333 I337	T46-F335 HydrophobicContact CG2-CD2 4.29Å; T46-F335 HydrophobicContact CG2-CE2 3.69Å; T46-F335 HydrophobicContact CG2-CZ 4.21Å; L53-F335 HydrophobicContact CB-CB 4.2Å; L53-F335 HydrophobicContact CB-CD1 3.97Å; L53-F335 HydrophobicContact CB-CD2 4.37Å; L53-F335 HydrophobicContact CB-CE1 4.46Å; L53-F335 HydrophobicContact CB-CG 3.92Å; L53-F335 HydrophobicContact CD1-CD2 4.22Å; L53-F335 HydrophobicContact CD1-CG 4.43Å; A329-F335 CarbonylContact C-O 3.54Å; A329-F335 PolarHBondContact O-N 3.12Å; K330-F335 WeakPolarHBondContact CA-O 3.33Å; K330-F335 PolarHBondContact N-O 3.02Å; F333-F335 HydrophobicContact CB-CB 4.47Å; F333-F335 PolarHBondContact O-N 3.47Å; F335-I337 HydrophobicContact CD1-CG1 3.75Å; F335-I337 HydrophobicContact CE1-CG1 3.73Å
336	T	91.8	Very high	91.7	Very high	103 Å²	103	60.9 Å²	60.9	63%	0.632	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-102.9	116.7	179	-56	0	0	0	0	109.4
337	I	89	Confident	91.8	Very high	8 Å²	8	58.2 Å²	58.2	4%	0.041	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-89.2	126.2	178.1	-65.7	173.1	0	0	0	109.5	R54 L325 K326 A329 F335 N343	R54-I337 HydrophobicContact CG-CD1 4.25Å; L325-I337 HydrophobicContact CD2-CD1 3.95Å; L325-I337 HydrophobicContact CG-CD1 3.8Å; K326-I337 HydrophobicContact CG-CB 4.02Å; K326-I337 HydrophobicContact CG-CG2 4.25Å; A329-I337 HydrophobicContact CB-CD1 3.48Å; A329-I337 VanDerWaalsContact CB-CD1 3.48Å; A329-I337 HydrophobicContact CB-CG1 3.98Å; F335-I337 HydrophobicContact CD1-CG1 3.75Å; F335-I337 HydrophobicContact CE1-CG1 3.73Å; I337-N343 WeakPolarHBondContact CG2-OD1 3.48Å
338	E	88.1	Confident	91.9	Very high	150 Å²	150	52.6 Å²	52.6	70%	0.701	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-82.2	157.1	174.5	-62	-174.9	172	0	0	112.2	S340 N343	E338-S340 PolarHBondContact O-N 3.25Å; E338-S340 VanDerWaalsContact O-N 3.15Å; E338-N343 PolarHBondContact O-ND2 3.28Å
339	D	85.3	Confident	92.1	Very high	121 Å²	121	50.9 Å²	50.9	65%	0.647	26%	0.26	S	S	*	.	S	Bend	trans	-70.8	104.1	170.7	-77.8	-55.2	0	0	0	110.2	K326	K326-D339 WeakPolarHBondContact CE-OD1 3.17Å; K326-D339 IonicContact NZ-OD1 2.78Å; K326-D339 PolarHBondContact NZ-OD1 3.2Å; K326-D339 IonicContact NZ-OD2 2.95Å; K326-D339 PolarHBondContact NZ-OD2 3.41Å
340	S	88.9	Confident	92.2	Very high	23 Å²	23	51.2 Å²	51.2	16%	0.161	26%	0.261	C	S	.	.	S	Bend	trans	-156.5	162.1	-177.8	64.2	0	0	0	0	110.9	E338 Y342 N343	E338-S340 PolarHBondContact O-N 3.25Å; E338-S340 VanDerWaalsContact O-N 3.15Å; S340-Y342 PolarHBondContact O-N 3.31Å; S340-Y342 WeakPolarHBondContact OG-CB 3.26Å; S340-Y342 PolarHBondContact OG-N 3.16Å; S340-N343 WeakPolarHBondContact O-CB 3.49Å; S340-N343 PolarHBondContact O-N 3.25Å; S340-N343 PolarHBondContact O-ND2 2.81Å
341	L	90.9	Very high	92.5	Very high	13 Å²	13	44.8 Å²	44.8	7%	0.068	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-6.9	172.4	-70.6	178	0	0	0	113.2	F273 A274 E312 N343 L344	F273-L341 HydrophobicContact CB-CB 4.44Å; F273-L341 HydrophobicContact CD1-CB 4.06Å; A274-L341 HydrophobicContact CB-CD1 3.72Å; A274-L341 HydrophobicContact CB-CG 4.48Å; E312-L341 HydrophobicContact CB-CD2 3.75Å; E312-L341 HydrophobicContact CG-CD2 4.21Å; L341-N343 PolarHBondContact O-N 3.35Å; L341-L344 VanDerWaalsContact O-CB 3.26Å; L341-L344 WeakPolarHBondContact O-CB 3.01Å; L341-L344 PolarHBondContact O-N 3.26Å
342	Y	91.6	Very high	92.7	Very high	44 Å²	44	38 Å²	38	17%	0.173	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-25.4	169.8	-66	-3.2	0	0	0	111.9	P49 F273 E275 S340 L344 I345	P49-Y342 HydrophobicContact CB-CD1 4.13Å; P49-Y342 HydrophobicContact CB-CG 4.13Å; P49-Y342 HydrophobicContact CG-CD1 3.87Å; P49-Y342 HydrophobicContact CG-CE1 3.92Å; P49-Y342 HydrophobicContact CG-CG 4.21Å; F273-Y342 HydrophobicContact CB-CD1 3.78Å; F273-Y342 HydrophobicContact CB-CE1 3.44Å; F273-Y342 VanDerWaalsContact CB-CE1 3.44Å; F273-Y342 AromaticContact CD1-CD1 3.51Å; F273-Y342 HydrophobicContact CD1-CD1 3.51Å; F273-Y342 AromaticContact CD1-CE1 3.9Å; F273-Y342 HydrophobicContact CD1-CE1 3.9Å; F273-Y342 HydrophobicContact CD2-CD1 4.11Å; F273-Y342 AromaticContact CD2-CE1 3.66Å; F273-Y342 HydrophobicContact CD2-CE1 3.66Å; F273-Y342 HydrophobicContact CE1-CD1 4.03Å; F273-Y342 HydrophobicContact CE2-CE1 4.32Å; F273-Y342 AromaticContact CG-CD1 3.55Å; F273-Y342 HydrophobicContact CG-CD1 3.55Å; F273-Y342 AromaticContact CG-CE1 3.4Å; F273-Y342 HydrophobicContact CG-CE1 3.4Å; F273-Y342 VanDerWaalsContact CG-CE1 3.4Å; E275-Y342 PolarHBondContact OE1-OH 3.21Å; S340-Y342 PolarHBondContact O-N 3.31Å; S340-Y342 WeakPolarHBondContact OG-CB 3.26Å; S340-Y342 PolarHBondContact OG-N 3.16Å; Y342-L344 PolarHBondContact O-N 3.05Å; Y342-I345 WeakPolarHBondContact O-CB 3.5Å; Y342-I345 PolarHBondContact O-N 3.45Å; Y342-I345 VanDerWaalsContact O-N 3.15Å
343	N	92.6	Very high	93	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-67.1	-25.8	178.5	-61.1	-24.2	0	0	0	112.1	V322 I337 E338 S340 L341 I345 A346 A347	V322-N343 HydrophobicContact CG2-CB 4.18Å; I337-N343 WeakPolarHBondContact CG2-OD1 3.48Å; E338-N343 PolarHBondContact O-ND2 3.28Å; S340-N343 WeakPolarHBondContact O-CB 3.49Å; S340-N343 PolarHBondContact O-N 3.25Å; S340-N343 PolarHBondContact O-ND2 2.81Å; L341-N343 PolarHBondContact O-N 3.35Å; N343-I345 VanDerWaalsContact C-N 3.29Å; N343-I345 PolarHBondContact O-N 3.27Å; N343-A346 PolarHBondContact O-N 3.05Å; N343-A347 PolarHBondContact O-N 2.99Å; N343-A347 VanDerWaalsContact O-N 3.08Å
344	L	94	Very high	93.4	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.052	17%	0.17	C	C	.	.	H	α-helix	trans	-57.9	-42.7	171.5	179.5	60.1	0	0	0	111	Y310 P313 Y318 L341 Y342 A346 A347 D348	Y310-L344 HydrophobicContact CG-CD2 4.48Å; P313-L344 HydrophobicContact CG-CD1 3.76Å; Y318-L344 PolarHBondContact OH-N 2.85Å; L341-L344 VanDerWaalsContact O-CB 3.26Å; L341-L344 WeakPolarHBondContact O-CB 3.01Å; L341-L344 PolarHBondContact O-N 3.26Å; Y342-L344 PolarHBondContact O-N 3.05Å; L344-A346 VanDerWaalsContact C-N 3.3Å; L344-A346 PolarHBondContact O-N 2.89Å; L344-A347 CarbonylContact O-C 3.6Å; L344-A347 WeakPolarHBondContact O-CB 3.45Å; L344-A347 PolarHBondContact O-N 3.48Å; L344-A347 VanDerWaalsContact O-N 3.13Å; L344-D348 WeakPolarHBondContact O-CB 3.17Å; L344-D348 PolarHBondContact O-N 3.02Å
345	I	95.8	Very high	93.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-64	-37.4	-179.4	-55.9	-55.7	0	0	0	111.4	P49 W50 A139 P157 F273 Y342 N343 D348 F349	P49-I345 HydrophobicContact CB-CB 4.19Å; P49-I345 HydrophobicContact CB-CG1 3.8Å; P49-I345 HydrophobicContact CB-CG2 4.36Å; W50-I345 HydrophobicContact CB-CG2 4.25Å; A139-I345 HydrophobicContact CB-CG2 4.34Å; P157-I345 HydrophobicContact CG-CD1 4.28Å; F273-I345 HydrophobicContact CE1-CD1 3.98Å; F273-I345 HydrophobicContact CE1-CG1 3.74Å; F273-I345 HydrophobicContact CZ-CD1 4.16Å; F273-I345 HydrophobicContact CZ-CG1 4.03Å; Y342-I345 WeakPolarHBondContact O-CB 3.5Å; Y342-I345 PolarHBondContact O-N 3.45Å; Y342-I345 VanDerWaalsContact O-N 3.15Å; N343-I345 VanDerWaalsContact C-N 3.29Å; N343-I345 PolarHBondContact O-N 3.27Å; I345-D348 PolarHBondContact O-N 2.87Å; I345-F349 HydrophobicContact CG2-CD2 4.02Å; I345-F349 HydrophobicContact CG2-CE2 3.91Å; I345-F349 VanDerWaalsContact O-CD2 3.27Å; I345-F349 WeakPolarHBondContact O-CD2 3.22Å; I345-F349 PolarHBondContact O-N 3.17Å
346	A	95.8	Very high	94	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-66.7	-40.9	174.9	0	0	0	0	0	111.9	R54 A58 L325 N343 L344 D348 F349 Y350	R54-A346 HydrophobicContact CG-CB 4.31Å; A58-A346 HydrophobicContact CB-CB 4.21Å; A58-A346 WeakPolarHBondContact CB-O 3.41Å; L325-A346 HydrophobicContact CD1-CB 4.33Å; L325-A346 HydrophobicContact CD2-CB 3.85Å; N343-A346 PolarHBondContact O-N 3.05Å; L344-A346 VanDerWaalsContact C-N 3.3Å; L344-A346 PolarHBondContact O-N 2.89Å; A346-D348 VanDerWaalsContact C-N 3.3Å; A346-D348 PolarHBondContact O-N 3.22Å; A346-F349 PolarHBondContact O-N 2.94Å; A346-Y350 PolarHBondContact O-N 3.48Å
347	A	96.1	Very high	94.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-61	-39.1	172.5	0	0	0	0	0	111.8	Y318 F321 N343 L344 F349 Y350 D351 V394	Y318-A347 HydrophobicContact CD2-CB 4.14Å; Y318-A347 HydrophobicContact CE2-CB 3.84Å; F321-A347 HydrophobicContact CD1-CB 4.03Å; F321-A347 HydrophobicContact CE1-CB 3.58Å; F321-A347 HydrophobicContact CZ-CB 4.27Å; N343-A347 PolarHBondContact O-N 2.99Å; N343-A347 VanDerWaalsContact O-N 3.08Å; L344-A347 CarbonylContact O-C 3.6Å; L344-A347 WeakPolarHBondContact O-CB 3.45Å; L344-A347 PolarHBondContact O-N 3.48Å; L344-A347 VanDerWaalsContact O-N 3.13Å; A347-F349 PolarHBondContact O-N 2.02Å; A347-Y350 VanDerWaalsContact O-CB 3.31Å; A347-Y350 WeakPolarHBondContact O-CB 3.02Å; A347-Y350 PolarHBondContact O-N 3.37Å; A347-D351 WeakPolarHBondContact O-CB 3.07Å; A347-D351 PolarHBondContact O-N 3.26Å; A347-V394 HydrophobicContact CB-CG2 3.92Å
348	D	96.7	Very high	94.4	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-71.1	-32.2	-179.5	-65.6	-10.7	0	0	0	112.7	A139 T155 G156 P157 L344 I345 A346 G352 R406	A139-D348 HydrophobicContact CB-CB 3.47Å; A139-D348 VanDerWaalsContact CB-CB 3.47Å; T155-D348 PolarHBondContact OG1-O 3.32Å; G156-D348 WeakPolarHBondContact CA-OD2 3.39Å; P157-D348 WeakPolarHBondContact CD-OD2 3.49Å; L344-D348 WeakPolarHBondContact O-CB 3.17Å; L344-D348 PolarHBondContact O-N 3.02Å; I345-D348 PolarHBondContact O-N 2.87Å; A346-D348 VanDerWaalsContact C-N 3.3Å; A346-D348 PolarHBondContact O-N 3.22Å; D348-G352 PolarHBondContact O-N 3.29Å; D348-R406 VanDerWaalsContact CG-NH1 3.28Å; D348-R406 IonicContact OD1-CZ 3.87Å; D348-R406 IonicContact OD1-NH1 3.83Å; D348-R406 PolarHBondContact OD1-NH1 3.07Å; D348-R406 IonicContact OD1-NH2 3.76Å; D348-R406 IonicContact OD2-NH1 3.34Å
349	F	97.6	Very high	94.8	Very high	2 Å²	2	14 Å²	14	1%	0.009	7%	0.071	C	C	.	.	H	α-helix	trans	-68.2	-40.7	169.3	-89.5	-70.6	0	0	0	112	L41 W50 V55 L59 I114 A139 I345 A346 A347 G352 V353	L41-F349 HydrophobicContact CD2-CZ 4.07Å; W50-F349 HydrophobicContact CB-CE2 3.76Å; W50-F349 HydrophobicContact CB-CZ 4.31Å; V55-F349 HydrophobicContact CB-CD2 4.39Å; V55-F349 HydrophobicContact CG1-CB 3.76Å; V55-F349 HydrophobicContact CG1-CD1 4.18Å; V55-F349 HydrophobicContact CG1-CD2 3.63Å; V55-F349 HydrophobicContact CG1-CE2 4.28Å; V55-F349 HydrophobicContact CG1-CG 3.59Å; V55-F349 HydrophobicContact CG2-CD2 3.75Å; V55-F349 HydrophobicContact CG2-CE2 4.09Å; L59-F349 HydrophobicContact CD2-CB 4.16Å; I114-F349 HydrophobicContact CG2-CD1 3.56Å; I114-F349 HydrophobicContact CG2-CE1 3.71Å; A139-F349 HydrophobicContact CB-CD1 4.41Å; A139-F349 HydrophobicContact CB-CD2 3.71Å; A139-F349 HydrophobicContact CB-CE2 3.8Å; A139-F349 HydrophobicContact CB-CG 4.02Å; A139-F349 HydrophobicContact CB-CZ 4.22Å; I345-F349 HydrophobicContact CG2-CD2 4.02Å; I345-F349 HydrophobicContact CG2-CE2 3.91Å; I345-F349 VanDerWaalsContact O-CD2 3.27Å; I345-F349 WeakPolarHBondContact O-CD2 3.22Å; I345-F349 PolarHBondContact O-N 3.17Å; A346-F349 PolarHBondContact O-N 2.94Å; A347-F349 PolarHBondContact O-N 2.02Å; F349-G352 PolarHBondContact O-N 2.79Å; F349-V353 PolarHBondContact O-N 2.81Å; F349-V353 VanDerWaalsContact O-N 3.13Å
350	Y	97.3	Very high	95.2	Very high	7 Å²	7	8.3 Å²	8.3	3%	0.027	4%	0.041	C	C	.	.	H	α-helix	trans	-58.2	-52.3	173.1	175.7	-77.1	0	0	0	110.6	A58 Q61 A62 Q65 F321 A346 A347 G352 V353 M354 V394	A58-Y350 WeakPolarHBondContact O-CD2 3.44Å; Q61-Y350 HydrophobicContact CB-CD2 4.33Å; Q61-Y350 HydrophobicContact CB-CE2 4.11Å; Q61-Y350 HydrophobicContact CG-CE2 4Å; A62-Y350 HydrophobicContact CB-CD2 3.53Å; A62-Y350 HydrophobicContact CB-CE2 3.68Å; A62-Y350 HydrophobicContact CB-CG 4.03Å; A62-Y350 VanDerWaalsContact N-CE2 3.34Å; Q65-Y350 PolarHBondContact OE1-OH 2.88Å; F321-Y350 HydrophobicContact CD2-CD2 4.42Å; F321-Y350 AromaticContact CE2-CD2 3.78Å; F321-Y350 HydrophobicContact CE2-CD2 3.78Å; F321-Y350 AromaticContact CE2-CG 3.99Å; F321-Y350 HydrophobicContact CE2-CG 3.99Å; A346-Y350 PolarHBondContact O-N 3.48Å; A347-Y350 VanDerWaalsContact O-CB 3.31Å; A347-Y350 WeakPolarHBondContact O-CB 3.02Å; A347-Y350 PolarHBondContact O-N 3.37Å; Y350-G352 VanDerWaalsContact C-N 3.25Å; Y350-G352 PolarHBondContact O-N 3.21Å; Y350-V353 PolarHBondContact O-N 3.39Å; Y350-V353 VanDerWaalsContact O-N 3.14Å; Y350-M354 HydrophobicContact CD1-CG 4.08Å; Y350-M354 HydrophobicContact CE1-CG 3.62Å; Y350-M354 HydrophobicContact CE1-SD 4.47Å; Y350-M354 WeakPolarHBondContact O-CG 3.48Å; Y350-M354 PolarHBondContact O-N 3.42Å; Y350-M354 VanDerWaalsContact O-N 3.1Å; Y350-V394 HydrophobicContact CD1-CB 4.34Å; Y350-V394 HydrophobicContact CD1-CG1 3.78Å; Y350-V394 HydrophobicContact CD1-CG2 3.62Å; Y350-V394 HydrophobicContact CE1-CB 4.46Å; Y350-V394 HydrophobicContact CE1-CG1 3.46Å; Y350-V394 VanDerWaalsContact CE1-CG1 3.46Å; Y350-V394 HydrophobicContact CE1-CG2 4.21Å; Y350-V394 HydrophobicContact CG-CG2 4.17Å
351	D	97.3	Very high	95.4	Very high	1 Å²	1	9 Å²	9	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-63	-33.8	-179.9	-76.7	-21.7	0	0	0	111.4	A347 M354 L355 F391 G393 V394 S395 V398	A347-D351 WeakPolarHBondContact O-CB 3.07Å; A347-D351 PolarHBondContact O-N 3.26Å; D351-M354 PolarHBondContact O-N 2.93Å; D351-L355 WeakPolarHBondContact O-CB 3.36Å; D351-L355 PolarHBondContact O-N 3.3Å; D351-F391 HydrophobicContact CB-CE2 4.26Å; D351-F391 HydrophobicContact CB-CZ 3.98Å; D351-F391 WeakPolarHBondContact O-CZ 3.32Å; D351-G393 WeakPolarHBondContact OD1-CA 3.36Å; D351-V394 PolarHBondContact OD1-N 2.95Å; D351-V394 PolarHBondContact OD2-N 3.44Å; D351-S395 WeakPolarHBondContact OD2-CB 3.48Å; D351-S395 PolarHBondContact OD2-N 3Å; D351-S395 VanDerWaalsContact OD2-N 3.1Å; D351-S395 PolarHBondContact OD2-OG 2.72Å; D351-V398 HydrophobicContact CB-CG2 4.47Å
352	G	96.9	Very high	95.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63	-41.2	173.1	0	0	0	0	0	114.3	D348 F349 Y350 L355 Y356	D348-G352 PolarHBondContact O-N 3.29Å; F349-G352 PolarHBondContact O-N 2.79Å; Y350-G352 VanDerWaalsContact C-N 3.25Å; Y350-G352 PolarHBondContact O-N 3.21Å; G352-L355 PolarHBondContact O-N 3.15Å; G352-Y356 WeakPolarHBondContact O-CB 3.46Å; G352-Y356 PolarHBondContact O-N 3.23Å
353	V	97.1	Very high	95.5	Very high	1 Å²	1	10 Å²	10	1%	0.006	5%	0.048	C	C	.	.	H	α-helix	trans	-66.7	-40.8	174.8	174	0	0	0	0	110.8	L59 A62 I63 I114 F349 Y350 Y356 A357	L59-V353 HydrophobicContact CD2-CG2 3.62Å; A62-V353 HydrophobicContact CB-CB 3.88Å; A62-V353 HydrophobicContact CB-CG1 3.88Å; I63-V353 HydrophobicContact CG1-CG1 4.18Å; I114-V353 HydrophobicContact CD1-CG2 4.1Å; F349-V353 PolarHBondContact O-N 2.81Å; F349-V353 VanDerWaalsContact O-N 3.13Å; Y350-V353 PolarHBondContact O-N 3.39Å; Y350-V353 VanDerWaalsContact O-N 3.14Å; V353-Y356 PolarHBondContact O-N 3.42Å; V353-A357 WeakPolarHBondContact O-CB 3.23Å; V353-A357 PolarHBondContact O-N 2.95Å
354	M	96.9	Very high	95.4	Very high	16 Å²	16	11.2 Å²	11.2	8%	0.079	6%	0.055	C	C	.	.	H	α-helix	trans	-63.4	-43.8	176.5	-65.9	-55.8	-64.9	0	0	111.8	A62 Q65 V66 L72 Y350 D351 A357 Q358	A62-M354 HydrophobicContact CB-SD 4.5Å; Q65-M354 HydrophobicContact CG-CE 4.29Å; V66-M354 HydrophobicContact CG2-CE 4.36Å; V66-M354 HydrophobicContact CG2-SD 3.66Å; L72-M354 HydrophobicContact CD2-CE 4.05Å; Y350-M354 HydrophobicContact CD1-CG 4.08Å; Y350-M354 HydrophobicContact CE1-CG 3.62Å; Y350-M354 HydrophobicContact CE1-SD 4.47Å; Y350-M354 WeakPolarHBondContact O-CG 3.48Å; Y350-M354 PolarHBondContact O-N 3.42Å; Y350-M354 VanDerWaalsContact O-N 3.1Å; D351-M354 PolarHBondContact O-N 2.93Å; M354-A357 PolarHBondContact O-N 3.02Å; M354-Q358 WeakPolarHBondContact O-CG 3.21Å; M354-Q358 PolarHBondContact O-N 2.9Å
355	L	96.9	Very high	95	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-46.5	175.3	178.4	59.3	0	0	0	111.6	T153 T155 D351 G352 Q358 A359 M386 R389 F391 M400	T153-L355 HydrophobicContact CG2-CD2 4.27Å; T155-L355 HydrophobicContact CG2-CD2 3.83Å; D351-L355 WeakPolarHBondContact O-CB 3.36Å; D351-L355 PolarHBondContact O-N 3.3Å; G352-L355 PolarHBondContact O-N 3.15Å; L355-Q358 PolarHBondContact O-N 3.35Å; L355-A359 WeakPolarHBondContact O-CB 3.26Å; L355-A359 PolarHBondContact O-N 3.09Å; L355-M386 HydrophobicContact CD1-CB 4.45Å; L355-M386 HydrophobicContact CD2-CB 4.06Å; L355-M386 HydrophobicContact CD2-CG 4.43Å; L355-M386 HydrophobicContact CG-CB 4.08Å; L355-M386 HydrophobicContact CG-CG 3.99Å; L355-M386 HydrophobicContact CG-SD 4.32Å; L355-R389 HydrophobicContact CD1-CG 4.19Å; L355-R389 VanDerWaalsContact CD1-NE 3.32Å; L355-F391 HydrophobicContact CB-CE1 3.84Å; L355-F391 HydrophobicContact CB-CE2 4.42Å; L355-F391 HydrophobicContact CB-CZ 3.77Å; L355-F391 HydrophobicContact CD1-CD1 3.78Å; L355-F391 HydrophobicContact CD1-CE1 3.78Å; L355-F391 HydrophobicContact CD1-CG 4.47Å; L355-F391 HydrophobicContact CD1-CZ 4.5Å; L355-F391 HydrophobicContact CD2-CE1 3.95Å; L355-F391 HydrophobicContact CG-CE1 4.06Å; L355-F391 HydrophobicContact CG-CZ 4.49Å; L355-M400 HydrophobicContact CD2-CE 4.41Å; L355-M400 HydrophobicContact CD2-CG 3.84Å; L355-M400 HydrophobicContact CD2-SD 4.06Å
356	Y	96.8	Very high	94.4	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.012	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-46.4	176.3	172.4	-101.4	0	0	0	111.8	I37 W111 A112 P135 G352 V353 Q358 A359 L360 V382 M386	I37-Y356 HydrophobicContact CD1-CD1 4.19Å; I37-Y356 HydrophobicContact CD1-CE1 3.99Å; I37-Y356 HydrophobicContact CG1-CE1 4.46Å; W111-Y356 PolarHBondContact O-OH 3.49Å; A112-Y356 HydrophobicContact CB-CD2 4.19Å; A112-Y356 HydrophobicContact CB-CE1 4.02Å; A112-Y356 HydrophobicContact CB-CE2 3.6Å; P135-Y356 HydrophobicContact CB-CE2 4.32Å; P135-Y356 HydrophobicContact CG-CE2 4.29Å; G352-Y356 WeakPolarHBondContact O-CB 3.46Å; G352-Y356 PolarHBondContact O-N 3.23Å; V353-Y356 PolarHBondContact O-N 3.42Å; Y356-Q358 VanDerWaalsContact C-N 3.35Å; Y356-Q358 PolarHBondContact O-N 3.38Å; Y356-A359 PolarHBondContact O-N 2.85Å; Y356-L360 HydrophobicContact CE1-CD2 3.96Å; Y356-L360 VanDerWaalsContact O-CB 3.23Å; Y356-L360 WeakPolarHBondContact O-CB 3.38Å; Y356-L360 PolarHBondContact O-N 2.91Å; Y356-V382 HydrophobicContact CD2-CG1 4.02Å; Y356-V382 HydrophobicContact CE2-CG1 3.88Å; Y356-M386 HydrophobicContact CD2-CE 4.36Å; Y356-M386 HydrophobicContact CD2-SD 4.19Å
357	A	95.9	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.7	-42	179.5	0	0	0	0	0	112	V66 L72 L73 V353 M354 L360 N361	V66-A357 HydrophobicContact CG1-CB 4.01Å; V66-A357 HydrophobicContact CG2-CB 3.74Å; L72-A357 HydrophobicContact CD1-CB 4.47Å; L72-A357 HydrophobicContact CD2-CB 4.06Å; L72-A357 HydrophobicContact CG-CB 4.26Å; L73-A357 HydrophobicContact CD1-CB 4.09Å; V353-A357 WeakPolarHBondContact O-CB 3.23Å; V353-A357 PolarHBondContact O-N 2.95Å; M354-A357 PolarHBondContact O-N 3.02Å; A357-L360 PolarHBondContact O-N 3.29Å; A357-N361 WeakPolarHBondContact O-CB 3.26Å; A357-N361 PolarHBondContact O-N 2.9Å
358	Q	95.2	Very high	91.5	Very high	51 Å²	51	30.8 Å²	30.8	24%	0.238	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-49.6	175.2	-71.1	176	6.3	0	0	111.8	L72 M354 L355 Y356 L360 N361 E362	L72-Q358 HydrophobicContact CD1-CG 4.09Å; M354-Q358 WeakPolarHBondContact O-CG 3.21Å; M354-Q358 PolarHBondContact O-N 2.9Å; L355-Q358 PolarHBondContact O-N 3.35Å; Y356-Q358 VanDerWaalsContact C-N 3.35Å; Y356-Q358 PolarHBondContact O-N 3.38Å; Q358-L360 VanDerWaalsContact C-N 3.3Å; Q358-L360 PolarHBondContact O-N 3.26Å; Q358-N361 WeakPolarHBondContact O-CB 3.39Å; Q358-N361 PolarHBondContact O-N 3.29Å; Q358-E362 WeakPolarHBondContact O-CG 3.32Å; Q358-E362 PolarHBondContact O-N 2.87Å
359	A	95.2	Very high	89.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-37.2	179.1	0	0	0	0	0	112.4	L355 Y356 T363 V382 R385 M386	L355-A359 WeakPolarHBondContact O-CB 3.26Å; L355-A359 PolarHBondContact O-N 3.09Å; Y356-A359 PolarHBondContact O-N 2.85Å; A359-T363 WeakPolarHBondContact O-CB 3.42Å; A359-T363 PolarHBondContact O-N 3Å; A359-T363 PolarHBondContact O-OG1 3.49Å; A359-V382 HydrophobicContact CB-CG1 4.15Å; A359-R385 HydrophobicContact CB-CB 3.98Å; A359-M386 HydrophobicContact CB-CG 3.48Å; A359-M386 VanDerWaalsContact CB-CG 3.48Å
360	L	94.3	Very high	87.8	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-66.5	-44.4	174.8	-179.5	63.2	0	0	0	111	L73 W111 Y356 A357 Q358 E362 T363 L364 P377 V382	L73-L360 HydrophobicContact CD1-CD2 4.1Å; L73-L360 HydrophobicContact CD2-CB 3.93Å; L73-L360 HydrophobicContact CD2-CD2 3.78Å; L73-L360 HydrophobicContact CD2-CG 3.67Å; W111-L360 HydrophobicContact CE3-CD1 4.41Å; W111-L360 HydrophobicContact CE3-CD2 4.35Å; W111-L360 HydrophobicContact CZ3-CD1 4.44Å; Y356-L360 HydrophobicContact CE1-CD2 3.96Å; Y356-L360 VanDerWaalsContact O-CB 3.23Å; Y356-L360 WeakPolarHBondContact O-CB 3.38Å; Y356-L360 PolarHBondContact O-N 2.91Å; A357-L360 PolarHBondContact O-N 3.29Å; Q358-L360 VanDerWaalsContact C-N 3.3Å; Q358-L360 PolarHBondContact O-N 3.26Å; L360-E362 PolarHBondContact O-N 3.24Å; L360-T363 PolarHBondContact O-N 3.39Å; L360-L364 HydrophobicContact CD1-CD1 4.22Å; L360-L364 HydrophobicContact CD1-CG 4.27Å; L360-L364 HydrophobicContact CG-CD1 4.01Å; L360-L364 HydrophobicContact CG-CG 4.47Å; L360-L364 VanDerWaalsContact O-CG 3.29Å; L360-L364 WeakPolarHBondContact O-CG 3.27Å; L360-L364 PolarHBondContact O-N 3.05Å; L360-P377 HydrophobicContact CD1-CG 3.51Å; L360-V382 HydrophobicContact CB-CG1 4.42Å; L360-V382 HydrophobicContact CD1-CG2 4.14Å
361	N	93.6	Very high	85.6	Confident	38 Å²	38	45.9 Å²	45.9	20%	0.203	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-47.5	177.9	-165.1	29.5	0	0	0	111.8	W71 L72 L73 P74 A357 Q358 T363 L364 S365	W71-N361 PolarHBondContact O-ND2 2.8Å; L72-N361 HydrophobicContact CD1-CB 4.13Å; L73-N361 HydrophobicContact CD2-CB 3.84Å; L73-N361 HydrophobicContact CG-CB 4.47Å; L73-N361 PolarHBondContact N-OD1 3.28Å; P74-N361 WeakPolarHBondContact CD-OD1 3.24Å; A357-N361 WeakPolarHBondContact O-CB 3.26Å; A357-N361 PolarHBondContact O-N 2.9Å; Q358-N361 WeakPolarHBondContact O-CB 3.39Å; Q358-N361 PolarHBondContact O-N 3.29Å; N361-T363 VanDerWaalsContact C-N 3.31Å; N361-T363 PolarHBondContact O-N 3.37Å; N361-L364 PolarHBondContact O-N 3.44Å; N361-S365 PolarHBondContact O-N 3.32Å
362	E	92.4	Very high	84.2	Confident	74 Å²	74	48.5 Å²	48.5	35%	0.346	31%	0.313	S	S	.	.	H	α-helix	trans	-59	-42.1	174.8	-70.4	167.1	-150.3	0	0	111.7	Q358 L360 S365 Q366 R389	Q358-E362 WeakPolarHBondContact O-CG 3.32Å; Q358-E362 PolarHBondContact O-N 2.87Å; L360-E362 PolarHBondContact O-N 3.24Å; E362-S365 PolarHBondContact O-OG 2.86Å; E362-Q366 PolarHBondContact O-N 3.45Å; E362-R389 IonicContact OE1-CZ 2.75Å; E362-R389 IonicContact OE1-NH1 2.8Å; E362-R389 PolarHBondContact OE1-NH1 2.63Å; E362-R389 IonicContact OE1-NH2 3.57Å; E362-R389 PolarHBondContact OE1-NH2 3.35Å; E362-R389 IonicContact OE2-NH1 3.75Å; E362-R389 PolarHBondContact OE2-NH1 3.05Å
363	T	92.4	Very high	83	Confident	3 Å²	3	53.6 Å²	53.6	2%	0.018	35%	0.346	C	S	.	.	H	α-helix	trans	-64.8	-43	178.3	-56	0	0	0	0	111.7	A359 L360 N361 Q366 Q367 P377 L381 V382 R385	A359-T363 WeakPolarHBondContact O-CB 3.42Å; A359-T363 PolarHBondContact O-N 3Å; A359-T363 PolarHBondContact O-OG1 3.49Å; L360-T363 PolarHBondContact O-N 3.39Å; N361-T363 VanDerWaalsContact C-N 3.31Å; N361-T363 PolarHBondContact O-N 3.37Å; T363-Q366 PolarHBondContact O-N 3.31Å; T363-Q367 PolarHBondContact O-N 2.97Å; T363-P377 HydrophobicContact CG2-CB 3.61Å; T363-P377 HydrophobicContact CG2-CG 4.12Å; T363-L381 HydrophobicContact CG2-CB 4.47Å; T363-V382 HydrophobicContact CG2-CG2 4.21Å; T363-R385 WeakPolarHBondContact OG1-CD 3.39Å; T363-R385 PolarHBondContact OG1-NH1 3.47Å
364	L	90.1	Very high	82.3	Confident	26 Å²	26	56.4 Å²	56.4	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-68.2	-39.7	179.7	-70.6	172.4	0	0	0	111.9	L73 L76 L360 N361 Q366 Q367 I374 P377	L73-L364 HydrophobicContact CD2-CD1 4.1Å; L76-L364 HydrophobicContact CD1-CD1 3.44Å; L76-L364 VanDerWaalsContact CD1-CD1 3.44Å; L360-L364 HydrophobicContact CD1-CD1 4.22Å; L360-L364 HydrophobicContact CD1-CG 4.27Å; L360-L364 HydrophobicContact CG-CD1 4.01Å; L360-L364 HydrophobicContact CG-CG 4.47Å; L360-L364 VanDerWaalsContact O-CG 3.29Å; L360-L364 WeakPolarHBondContact O-CG 3.27Å; L360-L364 PolarHBondContact O-N 3.05Å; N361-L364 PolarHBondContact O-N 3.44Å; L364-Q366 PolarHBondContact O-N 3.44Å; L364-Q367 PolarHBondContact O-N 2.86Å; L364-Q367 VanDerWaalsContact O-N 3.1Å; L364-I374 HydrophobicContact CD1-CG2 4.39Å; L364-I374 HydrophobicContact CD2-CG2 3.58Å; L364-P377 HydrophobicContact CD2-CG 4.36Å
365	S	85.9	Confident	81.7	Confident	94 Å²	94	63.4 Å²	63.4	66%	0.657	39%	0.393	S	S	*	.	H	α-helix	trans	-60.5	-25	177	70.4	0	0	0	0	114.1	N361 E362	N361-S365 PolarHBondContact O-N 3.32Å; E362-S365 PolarHBondContact O-OG 2.86Å
366	Q	81.9	Confident	81.3	Confident	138 Å²	138	68.2 Å²	68.2	65%	0.645	41%	0.411	S	S	*	.	H	α-helix	trans	-89.5	-18.3	178.1	-67	-178.2	5.1	0	0	113.2	E362 T363 L364	E362-Q366 PolarHBondContact O-N 3.45Å; T363-Q366 PolarHBondContact O-N 3.31Å; L364-Q366 PolarHBondContact O-N 3.44Å
367	Q	75.8	Confident	81	Confident	87 Å²	87	68.4 Å²	68.4	41%	0.407	41%	0.413	S	S	.	.	S	Bend	trans	-83.7	120.1	173.1	-77.5	-176.5	-47.9	0	0	109.3	T363 L364 S369	T363-Q367 PolarHBondContact O-N 2.97Å; L364-Q367 PolarHBondContact O-N 2.86Å; L364-Q367 VanDerWaalsContact O-N 3.1Å; Q367-S369 PolarHBondContact O-N 3.29Å; Q367-S369 VanDerWaalsContact O-N 3.16Å
368	A	56.1	Low	80.7	Confident	103 Å²	103	75.2 Å²	75.2	85%	0.851	44%	0.443	S	S	*	.			trans	-56.8	120.6	-178.4	0	0	0	0	0	111.4	G370	A368-G370 PolarHBondContact O-N 2.99Å
369	S	56.4	Low	80.4	Confident	124 Å²	124	72.9 Å²	72.9	87%	0.867	43%	0.432	S	S	*	.			trans	-66.8	94.5	178.1	-45.6	0	0	0	0	110.7	Q367	Q367-S369 PolarHBondContact O-N 3.29Å; Q367-S369 VanDerWaalsContact O-N 3.16Å
370	G	59.3	Low	80.1	Confident	54 Å²	54	75.5 Å²	75.5	56%	0.557	45%	0.446	S	S	*	.			trans	-74.5	159.8	164	0	0	0	0	0	111.2	A368 G372	A368-G370 PolarHBondContact O-N 2.99Å; G370-G372 PolarHBondContact O-N 3.49Å; G370-G372 VanDerWaalsContact O-N 3.1Å
371	P	51.9	Low	80	Confident	149 Å²	149	78.9 Å²	78.9	97%	0.968	46%	0.464	S	S	*	.	S	Bend	trans	-69.4	106.1	171.3	27.4	-30.2	0	0	0	109.6
372	G	66.4	Low	80	Confident	56 Å²	56	77.2 Å²	77.2	58%	0.577	46%	0.455	S	S	*	.	S	Bend	trans	166.4	173.6	179.7	0	0	0	0	0	113	G370	G370-G372 PolarHBondContact O-N 3.49Å; G370-G372 VanDerWaalsContact O-N 3.1Å
373	P	72.9	Confident	80.1	Confident	107 Å²	107	73.8 Å²	73.8	70%	0.695	44%	0.439	S	S	*	.	S	Bend	trans	-61.5	143	172.3	26	-32.4	0	0	0	110.5	Q375	P373-Q375 PolarHBondContact O-N 3.09Å
374	I	82.8	Confident	80.1	Confident	61 Å²	61	81.1 Å²	81.1	31%	0.313	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-64.6	121.1	-178.8	-62.4	171	0	0	0	108	Q33 L76 W111 L364	Q33-I374 PolarHBondContact NE2-O 2.72Å; Q33-I374 PolarHBondContact OE1-O 3.02Å; L76-I374 HydrophobicContact CD1-CD1 4.47Å; L76-I374 HydrophobicContact CD1-CG2 4.49Å; L76-I374 HydrophobicContact CD2-CB 4.1Å; L76-I374 HydrophobicContact CD2-CD1 3.7Å; L76-I374 HydrophobicContact CD2-CG1 4.43Å; L76-I374 HydrophobicContact CD2-CG2 4.36Å; L76-I374 HydrophobicContact CG-CD1 3.9Å; W111-I374 HydrophobicContact CH2-CG2 4.49Å; L364-I374 HydrophobicContact CD1-CG2 4.39Å; L364-I374 HydrophobicContact CD2-CG2 3.58Å
375	Q	84.6	Confident	80.3	Confident	162 Å²	162	82.5 Å²	82.5	76%	0.757	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-81.3	145.3	178.8	-67.6	-171.4	-2	0	0	111.1	P373 P377	P373-Q375 PolarHBondContact O-N 3.09Å; Q375-P377 WeakPolarHBondContact O-CD 3.38Å
376	R	88.4	Confident	80.8	Confident	101 Å²	101	78 Å²	78	38%	0.381	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-61.2	122.1	175.1	-176.2	173.8	63.6	-156	-9.3	109.9	D109 W111	D109-R376 VanDerWaalsContact CG-NH1 3.31Å; D109-R376 IonicContact OD1-CZ 2.63Å; D109-R376 IonicContact OD1-NH1 2.81Å; D109-R376 PolarHBondContact OD1-NH1 2.85Å; D109-R376 IonicContact OD1-NH2 3.89Å; D109-R376 IonicContact OD2-CZ 2.96Å; D109-R376 IonicContact OD2-NH1 3.57Å; D109-R376 PolarHBondContact OD2-NH1 2.86Å; D109-R376 IonicContact OD2-NH2 3.92Å; W111-R376 HydrophobicContact CD2-CB 3.98Å; W111-R376 HydrophobicContact CD2-CG 3.7Å; W111-R376 HydrophobicContact CE3-CB 4.34Å; W111-R376 HydrophobicContact CE3-CG 4.04Å; W111-R376 HydrophobicContact CG-CG 4Å; W111-R376 HydrophobicContact CH2-CB 4.06Å; W111-R376 HydrophobicContact CZ2-CB 3.66Å; W111-R376 HydrophobicContact CZ2-CG 4.33Å; W111-R376 HydrophobicContact CZ3-CB 4.37Å; W111-R376 HydrophobicContact CZ3-CG 4.5Å
377	P	89.3	Confident	81.4	Confident	7 Å²	7	73.9 Å²	73.9	5%	0.045	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-68.4	161.9	172.9	27.5	-31.7	0	0	0	111.1	L360 T363 L364 Q375 G379 V382	L360-P377 HydrophobicContact CD1-CG 3.51Å; T363-P377 HydrophobicContact CG2-CB 3.61Å; T363-P377 HydrophobicContact CG2-CG 4.12Å; L364-P377 HydrophobicContact CD2-CG 4.36Å; Q375-P377 WeakPolarHBondContact O-CD 3.38Å; P377-G379 PolarHBondContact O-N 2.91Å; P377-V382 HydrophobicContact CB-CG2 4.3Å; P377-V382 HydrophobicContact CG-CG2 3.82Å
378	K	89.8	Confident	82.3	Confident	144 Å²	144	75 Å²	75	63%	0.626	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-61.1	135.2	173.8	-67.2	-171.2	175	-172.8	0	110.7	D380 L381 V382	K378-D380 PolarHBondContact O-N 2.92Å; K378-L381 HydrophobicContact CB-CD1 4.17Å; K378-L381 HydrophobicContact CB-CG 4.24Å; K378-L381 PolarHBondContact O-N 2.92Å; K378-V382 PolarHBondContact O-N 3.23Å
379	G	88.6	Confident	84.1	Confident	2 Å²	2	72.2 Å²	72.2	2%	0.021	39%	0.393	C	S	.	.	H	α-helix	trans	-61.9	-43.6	-175.7	0	0	0	0	0	112.8	D133 P377 L381 V382 T383	D133-G379 WeakPolarHBondContact O-CA 3.39Å; D133-G379 PolarHBondContact O-N 2.8Å; D133-G379 WeakPolarHBondContact OD1-CA 3.33Å; D133-G379 PolarHBondContact OD1-N 2.92Å; D133-G379 PolarHBondContact OD2-N 3.5Å; D133-G379 VanDerWaalsContact OD2-N 3.12Å; P377-G379 PolarHBondContact O-N 2.91Å; G379-L381 VanDerWaalsContact C-N 3.26Å; G379-L381 PolarHBondContact O-N 3.35Å; G379-V382 PolarHBondContact O-N 3.47Å; G379-V382 VanDerWaalsContact O-N 3.13Å; G379-T383 WeakPolarHBondContact O-CB 3.34Å; G379-T383 PolarHBondContact O-N 3.46Å; G379-T383 PolarHBondContact O-OG1 3.3Å
380	D	90.1	Very high	85.9	Confident	55 Å²	55	69.2 Å²	69.2	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-54.5	-38.6	175.6	-177.7	27	0	0	0	112.7	D133 K378 T383 R384	D133-D380 PolarHBondContact OD1-N 3.46Å; K378-D380 PolarHBondContact O-N 2.92Å; D380-T383 PolarHBondContact O-N 2.79Å; D380-R384 WeakPolarHBondContact O-CB 3.21Å; D380-R384 VanDerWaalsContact O-CG 3.28Å; D380-R384 WeakPolarHBondContact O-CG 3.42Å; D380-R384 PolarHBondContact O-N 3.15Å; D380-R384 IonicContact OD1-CZ 3.55Å; D380-R384 IonicContact OD1-NE 3.66Å; D380-R384 PolarHBondContact OD1-NE 2.84Å; D380-R384 IonicContact OD1-NH2 2.8Å; D380-R384 PolarHBondContact OD1-NH2 3.35Å; D380-R384 IonicContact OD2-CZ 3.32Å; D380-R384 VanDerWaalsContact OD2-CZ 3.29Å; D380-R384 IonicContact OD2-NE 3.28Å; D380-R384 PolarHBondContact OD2-NE 3.24Å; D380-R384 IonicContact OD2-NH2 3.52Å; D380-R384 PolarHBondContact OD2-NH2 3.29Å
381	L	91.4	Very high	87.6	Confident	72 Å²	72	67.3 Å²	67.3	38%	0.377	35%	0.349	S	S	.	.	H	α-helix	trans	-69.2	-37.9	178.8	-70.5	177.3	0	0	0	112.9	T363 K378 G379 R385	T363-L381 HydrophobicContact CG2-CB 4.47Å; K378-L381 HydrophobicContact CB-CD1 4.17Å; K378-L381 HydrophobicContact CB-CG 4.24Å; K378-L381 PolarHBondContact O-N 2.92Å; G379-L381 VanDerWaalsContact C-N 3.26Å; G379-L381 PolarHBondContact O-N 3.35Å; L381-R385 PolarHBondContact O-NH1 3.44Å
382	V	93.9	Very high	89.6	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.018	34%	0.338	C	S	.	.	H	α-helix	trans	-69.1	-43.8	175.5	-177.8	0	0	0	0	109.2	P135 Y356 A359 L360 T363 P377 K378 G379 R384 R385 M386	P135-V382 HydrophobicContact CG-CB 4.31Å; Y356-V382 HydrophobicContact CD2-CG1 4.02Å; Y356-V382 HydrophobicContact CE2-CG1 3.88Å; A359-V382 HydrophobicContact CB-CG1 4.15Å; L360-V382 HydrophobicContact CB-CG1 4.42Å; L360-V382 HydrophobicContact CD1-CG2 4.14Å; T363-V382 HydrophobicContact CG2-CG2 4.21Å; P377-V382 HydrophobicContact CB-CG2 4.3Å; P377-V382 HydrophobicContact CG-CG2 3.82Å; K378-V382 PolarHBondContact O-N 3.23Å; G379-V382 PolarHBondContact O-N 3.47Å; G379-V382 VanDerWaalsContact O-N 3.13Å; V382-R384 PolarHBondContact O-N 3.23Å; V382-R385 PolarHBondContact O-N 3.22Å; V382-R385 VanDerWaalsContact O-N 3.15Å; V382-M386 PolarHBondContact O-N 2.93Å
383	T	94.1	Very high	90.8	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-48.5	-179.1	-53.2	0	0	0	0	112.1	A150 G379 D380 R385 M386 W387	A150-T383 WeakPolarHBondContact O-CG2 3.23Å; G379-T383 WeakPolarHBondContact O-CB 3.34Å; G379-T383 PolarHBondContact O-N 3.46Å; G379-T383 PolarHBondContact O-OG1 3.3Å; D380-T383 PolarHBondContact O-N 2.79Å; T383-R385 PolarHBondContact O-N 2.82Å; T383-M386 HydrophobicContact CG2-CE 4.42Å; T383-M386 WeakPolarHBondContact O-CA 3.4Å; T383-M386 WeakPolarHBondContact O-CB 3.37Å; T383-M386 PolarHBondContact O-N 2.9Å; T383-W387 HydrophobicContact CG2-CD2 4.46Å; T383-W387 HydrophobicContact CG2-CZ2 3.64Å; T383-W387 VanDerWaalsContact O-CD1 3.24Å; T383-W387 PolarHBondContact O-N 3.23Å
384	R	92.6	Very high	91.8	Very high	157 Å²	157	59.5 Å²	59.5	59%	0.592	29%	0.293	S	S	*	.	H	α-helix	trans	-61.1	-27.1	176.7	-70.5	178.4	-164.8	-159.3	6	114.3	D380 V382 M386	D380-R384 WeakPolarHBondContact O-CB 3.21Å; D380-R384 VanDerWaalsContact O-CG 3.28Å; D380-R384 WeakPolarHBondContact O-CG 3.42Å; D380-R384 PolarHBondContact O-N 3.15Å; D380-R384 IonicContact OD1-CZ 3.55Å; D380-R384 IonicContact OD1-NE 3.66Å; D380-R384 PolarHBondContact OD1-NE 2.84Å; D380-R384 IonicContact OD1-NH2 2.8Å; D380-R384 PolarHBondContact OD1-NH2 3.35Å; D380-R384 IonicContact OD2-CZ 3.32Å; D380-R384 VanDerWaalsContact OD2-CZ 3.29Å; D380-R384 IonicContact OD2-NE 3.28Å; D380-R384 PolarHBondContact OD2-NE 3.24Å; D380-R384 IonicContact OD2-NH2 3.52Å; D380-R384 PolarHBondContact OD2-NH2 3.29Å; V382-R384 PolarHBondContact O-N 3.23Å; R384-M386 VanDerWaalsContact C-N 3.35Å
385	R	94.4	Very high	92.2	Very high	56 Å²	56	57 Å²	57	21%	0.211	28%	0.281	C	S	.	.	H	α-helix	trans	-79.4	-18.3	174.4	-75.6	-169.6	-172.7	74.5	-0.3	113.1	A359 T363 L381 V382 T383 R389	A359-R385 HydrophobicContact CB-CB 3.98Å; T363-R385 WeakPolarHBondContact OG1-CD 3.39Å; T363-R385 PolarHBondContact OG1-NH1 3.47Å; L381-R385 PolarHBondContact O-NH1 3.44Å; V382-R385 PolarHBondContact O-N 3.22Å; V382-R385 VanDerWaalsContact O-N 3.15Å; T383-R385 PolarHBondContact O-N 2.82Å; R385-R389 WeakPolarHBondContact O-CD 3.28Å; R385-R389 PolarHBondContact O-NH1 3.48Å
386	M	95.6	Very high	92.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-78.4	-26.9	170.3	-64.4	-169.7	-76.9	0	0	111.7	P135 V137 T153 L355 Y356 A359 V382 T383 R384 R389 M400	P135-M386 HydrophobicContact CB-CE 4.12Å; V137-M386 HydrophobicContact CG2-CE 4.08Å; V137-M386 HydrophobicContact CG2-SD 4.03Å; T153-M386 HydrophobicContact CG2-CB 4.16Å; T153-M386 HydrophobicContact CG2-SD 4.43Å; T153-M386 WeakPolarHBondContact OG1-CE 3.49Å; L355-M386 HydrophobicContact CD1-CB 4.45Å; L355-M386 HydrophobicContact CD2-CB 4.06Å; L355-M386 HydrophobicContact CD2-CG 4.43Å; L355-M386 HydrophobicContact CG-CB 4.08Å; L355-M386 HydrophobicContact CG-CG 3.99Å; L355-M386 HydrophobicContact CG-SD 4.32Å; Y356-M386 HydrophobicContact CD2-CE 4.36Å; Y356-M386 HydrophobicContact CD2-SD 4.19Å; A359-M386 HydrophobicContact CB-CG 3.48Å; A359-M386 VanDerWaalsContact CB-CG 3.48Å; V382-M386 PolarHBondContact O-N 2.93Å; T383-M386 HydrophobicContact CG2-CE 4.42Å; T383-M386 WeakPolarHBondContact O-CA 3.4Å; T383-M386 WeakPolarHBondContact O-CB 3.37Å; T383-M386 PolarHBondContact O-N 2.9Å; R384-M386 VanDerWaalsContact C-N 3.35Å; M386-R389 WeakPolarHBondContact O-CG 3.23Å; M386-M400 WeakPolarHBondContact O-CB 3.33Å; M386-M400 WeakPolarHBondContact O-CG 3.31Å
387	W	95	Very high	92.6	Very high	51 Å²	51	52.3 Å²	52.3	19%	0.193	27%	0.268	C	S	.	.	S	Bend	trans	-86	154.9	-175.3	-60.8	3.2	0	0	0	112.7	V152 T153 T383 R389 V403 G404	V152-W387 VanDerWaalsContact O-CZ2 3.3Å; V152-W387 WeakPolarHBondContact O-CZ2 3.38Å; T153-W387 PolarHBondContact OG1-NE1 3.47Å; T383-W387 HydrophobicContact CG2-CD2 4.46Å; T383-W387 HydrophobicContact CG2-CZ2 3.64Å; T383-W387 VanDerWaalsContact O-CD1 3.24Å; T383-W387 PolarHBondContact O-N 3.23Å; W387-R389 VanDerWaalsContact C-N 3.29Å; W387-R389 PolarHBondContact O-N 3.4Å; W387-V403 WeakPolarHBondContact CZ2-O 3.04Å; W387-G404 VanDerWaalsContact NE1-CA 3.34Å
388	N	94.9	Very high	92.8	Very high	109 Å²	109	52 Å²	52	58%	0.583	27%	0.266	S	S	*	.	S	Bend	trans	52.4	41.3	176.5	-167.5	62.1	0	0	0	113.9	M400 D401 K402	N388-M400 VanDerWaalsContact CA-O 3.22Å; N388-M400 WeakPolarHBondContact CA-O 3.46Å; N388-M400 PolarHBondContact N-O 3.41Å; N388-D401 WeakPolarHBondContact CA-O 3.29Å; N388-D401 PolarHBondContact N-O 2.97Å; N388-K402 HydrophobicContact CB-CG 4.32Å
389	R	94.1	Very high	93.1	Very high	45 Å²	45	48.5 Å²	48.5	17%	0.17	25%	0.251	C	S	.	.			trans	-134.2	159.4	178	73.4	-176.5	-97.8	157.6	1.4	111.5	L355 E362 R385 M386 W387 M400	L355-R389 HydrophobicContact CD1-CG 4.19Å; L355-R389 VanDerWaalsContact CD1-NE 3.32Å; E362-R389 IonicContact OE1-CZ 2.75Å; E362-R389 IonicContact OE1-NH1 2.8Å; E362-R389 PolarHBondContact OE1-NH1 2.63Å; E362-R389 IonicContact OE1-NH2 3.57Å; E362-R389 PolarHBondContact OE1-NH2 3.35Å; E362-R389 IonicContact OE2-NH1 3.75Å; E362-R389 PolarHBondContact OE2-NH1 3.05Å; R385-R389 WeakPolarHBondContact O-CD 3.28Å; R385-R389 PolarHBondContact O-NH1 3.48Å; M386-R389 WeakPolarHBondContact O-CG 3.23Å; W387-R389 VanDerWaalsContact C-N 3.29Å; W387-R389 PolarHBondContact O-N 3.4Å; R389-M400 PolarHBondContact N-O 3.42Å; R389-M400 PolarHBondContact O-N 3.3Å
390	S	94.8	Very high	93.5	Very high	61 Å²	61	48.5 Å²	48.5	43%	0.427	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.8	167.9	-57.8	0	0	0	0	110.3	V398	S390-V398 CarbonylContact C-O 3.46Å; S390-V398 VanDerWaalsContact CA-O 3.22Å; S390-V398 WeakPolarHBondContact CA-O 3.45Å
391	F	94.1	Very high	93.6	Very high	15 Å²	15	47 Å²	47	7%	0.066	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	161.6	170.4	75.7	-77.6	0	0	0	110.9	D351 L355 V398	D351-F391 HydrophobicContact CB-CE2 4.26Å; D351-F391 HydrophobicContact CB-CZ 3.98Å; D351-F391 WeakPolarHBondContact O-CZ 3.32Å; L355-F391 HydrophobicContact CB-CE1 3.84Å; L355-F391 HydrophobicContact CB-CE2 4.42Å; L355-F391 HydrophobicContact CB-CZ 3.77Å; L355-F391 HydrophobicContact CD1-CD1 3.78Å; L355-F391 HydrophobicContact CD1-CE1 3.78Å; L355-F391 HydrophobicContact CD1-CG 4.47Å; L355-F391 HydrophobicContact CD1-CZ 4.5Å; L355-F391 HydrophobicContact CD2-CE1 3.95Å; L355-F391 HydrophobicContact CG-CE1 4.06Å; L355-F391 HydrophobicContact CG-CZ 4.49Å; F391-V398 HydrophobicContact CD1-CB 3.89Å; F391-V398 HydrophobicContact CD1-CG1 4.15Å; F391-V398 HydrophobicContact CE1-CB 3.48Å; F391-V398 VanDerWaalsContact CE1-CB 3.48Å; F391-V398 HydrophobicContact CE1-CG1 3.4Å; F391-V398 VanDerWaalsContact CE1-CG1 3.4Å; F391-V398 HydrophobicContact CE1-CG2 4.24Å; F391-V398 HydrophobicContact CE2-CB 4.44Å; F391-V398 HydrophobicContact CE2-CG2 4.46Å; F391-V398 HydrophobicContact CZ-CB 3.8Å; F391-V398 HydrophobicContact CZ-CG1 3.88Å; F391-V398 HydrophobicContact CZ-CG2 4.03Å; F391-V398 PolarHBondContact N-O 2.89Å; F391-V398 PolarHBondContact O-N 3.45Å
392	S	93.3	Very high	93.6	Very high	108 Å²	108	51.3 Å²	51.3	76%	0.755	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.5	175.8	-56.3	0	0	0	0	110.1
393	G	92.4	Very high	93.5	Very high	18 Å²	18	54.2 Å²	54.2	19%	0.186	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-177	175.7	0	0	0	0	0	112.4	D351 S395 G396	D351-G393 WeakPolarHBondContact OD1-CA 3.36Å; G393-S395 VanDerWaalsContact C-N 3.28Å; G393-G396 PolarHBondContact N-O 3.18Å; G393-G396 PolarHBondContact O-N 3.3Å
394	V	94.3	Very high	93.4	Very high	21 Å²	21	54.1 Å²	54.1	13%	0.127	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.4	174.3	-65.3	0	0	0	0	111.4	N315 Y318 F321 A347 Y350 D351 G396	N315-V394 PolarHBondContact ND2-O 3.26Å; Y318-V394 WeakPolarHBondContact CA-O 3.25Å; Y318-V394 WeakPolarHBondContact CB-O 3.48Å; Y318-V394 PolarHBondContact N-O 2.82Å; F321-V394 HydrophobicContact CB-CB 4.19Å; F321-V394 HydrophobicContact CB-CG1 4.41Å; F321-V394 HydrophobicContact CD1-CG2 4.27Å; F321-V394 HydrophobicContact CD2-CB 4.4Å; F321-V394 HydrophobicContact CD2-CG1 4.28Å; F321-V394 HydrophobicContact CD2-CG2 4.14Å; F321-V394 HydrophobicContact CE2-CG2 4.42Å; F321-V394 HydrophobicContact CG-CB 4.19Å; F321-V394 HydrophobicContact CG-CG1 4.46Å; F321-V394 HydrophobicContact CG-CG2 4.06Å; A347-V394 HydrophobicContact CB-CG2 3.92Å; Y350-V394 HydrophobicContact CD1-CB 4.34Å; Y350-V394 HydrophobicContact CD1-CG1 3.78Å; Y350-V394 HydrophobicContact CD1-CG2 3.62Å; Y350-V394 HydrophobicContact CE1-CB 4.46Å; Y350-V394 HydrophobicContact CE1-CG1 3.46Å; Y350-V394 VanDerWaalsContact CE1-CG1 3.46Å; Y350-V394 HydrophobicContact CE1-CG2 4.21Å; Y350-V394 HydrophobicContact CG-CG2 4.17Å; D351-V394 PolarHBondContact OD1-N 2.95Å; D351-V394 PolarHBondContact OD2-N 3.44Å; V394-G396 PolarHBondContact O-N 3.25Å
395	S	90.9	Very high	93.6	Very high	8 Å²	8	47.7 Å²	47.7	6%	0.056	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	11	175.4	65.4	0	0	0	0	113.9	D351 G393 R406	D351-S395 WeakPolarHBondContact OD2-CB 3.48Å; D351-S395 PolarHBondContact OD2-N 3Å; D351-S395 VanDerWaalsContact OD2-N 3.1Å; D351-S395 PolarHBondContact OD2-OG 2.72Å; G393-S395 VanDerWaalsContact C-N 3.28Å; S395-R406 PolarHBondContact OG-NH1 3.17Å; S395-R406 VanDerWaalsContact OG-NH1 3.14Å; S395-R406 PolarHBondContact OG-NH2 3.38Å
396	G	90.6	Very high	93.6	Very high	18 Å²	18	46.1 Å²	46.1	19%	0.186	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	99.9	-148.6	-179.4	0	0	0	0	0	113.3	G393 V394 V398	G393-G396 PolarHBondContact N-O 3.18Å; G393-G396 PolarHBondContact O-N 3.3Å; V394-G396 PolarHBondContact O-N 3.25Å; G396-V398 PolarHBondContact O-N 2.89Å
397	E	91.6	Very high	93.6	Very high	147 Å²	147	47.1 Å²	47.1	69%	0.687	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	114.6	175.3	-172.4	179.1	-170.5	0	0	110
398	V	93.4	Very high	93.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	119.3	179.1	-177.2	0	0	0	0	109	D351 S390 F391 G396 M400 R406	D351-V398 HydrophobicContact CB-CG2 4.47Å; S390-V398 CarbonylContact C-O 3.46Å; S390-V398 VanDerWaalsContact CA-O 3.22Å; S390-V398 WeakPolarHBondContact CA-O 3.45Å; F391-V398 HydrophobicContact CD1-CB 3.89Å; F391-V398 HydrophobicContact CD1-CG1 4.15Å; F391-V398 HydrophobicContact CE1-CB 3.48Å; F391-V398 VanDerWaalsContact CE1-CB 3.48Å; F391-V398 HydrophobicContact CE1-CG1 3.4Å; F391-V398 VanDerWaalsContact CE1-CG1 3.4Å; F391-V398 HydrophobicContact CE1-CG2 4.24Å; F391-V398 HydrophobicContact CE2-CB 4.44Å; F391-V398 HydrophobicContact CE2-CG2 4.46Å; F391-V398 HydrophobicContact CZ-CB 3.8Å; F391-V398 HydrophobicContact CZ-CG1 3.88Å; F391-V398 HydrophobicContact CZ-CG2 4.03Å; F391-V398 PolarHBondContact N-O 2.89Å; F391-V398 PolarHBondContact O-N 3.45Å; G396-V398 PolarHBondContact O-N 2.89Å; V398-M400 HydrophobicContact CG1-SD 4.01Å; V398-R406 HydrophobicContact CG1-CG 4.19Å
399	K	95.6	Very high	93.5	Very high	71 Å²	71	42.5 Å²	42.5	31%	0.309	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.6	176.7	-176.6	176.8	177.7	-177.9	0	110.4	E407 S432	K399-E407 HydrophobicContact CB-CB 4.4Å; K399-E407 HydrophobicContact CB-CG 4.34Å; K399-E407 HydrophobicContact CD-CG 4.15Å; K399-E407 HydrophobicContact CG-CG 4.11Å; K399-E407 PolarHBondContact O-N 3.13Å; K399-S432 WeakPolarHBondContact CD-OG 3.45Å; K399-S432 PolarHBondContact NZ-O 3.08Å
400	M	95.7	Very high	93.6	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-94.6	136.7	175.7	-55	-55.5	-60.3	0	0	109.9	T153 N154 T155 L355 M386 N388 R389 V398 G404 R406	T153-M400 HydrophobicContact CG2-CE 3.72Å; N154-M400 WeakPolarHBondContact O-CE 3.31Å; T155-M400 HydrophobicContact CG2-CE 4.14Å; T155-M400 HydrophobicContact CG2-SD 4.26Å; L355-M400 HydrophobicContact CD2-CE 4.41Å; L355-M400 HydrophobicContact CD2-CG 3.84Å; L355-M400 HydrophobicContact CD2-SD 4.06Å; M386-M400 WeakPolarHBondContact O-CB 3.33Å; M386-M400 WeakPolarHBondContact O-CG 3.31Å; N388-M400 VanDerWaalsContact CA-O 3.22Å; N388-M400 WeakPolarHBondContact CA-O 3.46Å; N388-M400 PolarHBondContact N-O 3.41Å; R389-M400 PolarHBondContact N-O 3.42Å; R389-M400 PolarHBondContact O-N 3.3Å; V398-M400 HydrophobicContact CG1-SD 4.01Å; M400-G404 VanDerWaalsContact CE-O 3.22Å; M400-G404 WeakPolarHBondContact CE-O 3.44Å; M400-R406 HydrophobicContact CE-CB 4.31Å; M400-R406 HydrophobicContact SD-CB 3.94Å
401	D	93.4	Very high	93.5	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.123	20%	0.202	C	C	.	.			trans	-84.3	-175	177.4	80.5	11.4	0	0	0	112.7	K161 N388 V403 G404 D405	K161-D401 VanDerWaalsContact CE-OD2 3.29Å; K161-D401 WeakPolarHBondContact CE-OD2 3.41Å; K161-D401 IonicContact NZ-OD2 2.87Å; K161-D401 PolarHBondContact NZ-OD2 2.7Å; N388-D401 WeakPolarHBondContact CA-O 3.29Å; N388-D401 PolarHBondContact N-O 2.97Å; D401-V403 VanDerWaalsContact C-N 3.27Å; D401-V403 PolarHBondContact O-N 3.2Å; D401-V403 WeakPolarHBondContact OD1-CA 3.32Å; D401-V403 PolarHBondContact OD1-N 3.5Å; D401-G404 PolarHBondContact O-N 3.2Å; D401-G404 PolarHBondContact OD1-N 2.91Å; D401-D405 WeakPolarHBondContact CB-O 3.49Å; D401-D405 PolarHBondContact N-O 3.41Å; D401-D405 PolarHBondContact OD1-N 3.16Å
402	K	92.1	Very high	93.5	Very high	164 Å²	164	36.8 Å²	36.8	71%	0.713	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-17.2	-176.1	-63.5	178.1	-176.9	175.4	0	114.4	N388	N388-K402 HydrophobicContact CB-CG 4.32Å
403	V	91.2	Very high	93.5	Very high	63 Å²	63	33.5 Å²	33.5	38%	0.382	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-5.3	-176.8	-165.6	0	0	0	0	110.7	K147 W387 D401	K147-V403 HydrophobicContact CB-CG1 3.97Å; W387-V403 WeakPolarHBondContact CZ2-O 3.04Å; D401-V403 VanDerWaalsContact C-N 3.27Å; D401-V403 PolarHBondContact O-N 3.2Å; D401-V403 WeakPolarHBondContact OD1-CA 3.32Å; D401-V403 PolarHBondContact OD1-N 3.5Å
404	G	92.6	Very high	93.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	96.4	13.4	176.5	0	0	0	0	0	114.2	N154 W387 M400 D401	N154-G404 PolarHBondContact N-O 3.37Å; W387-G404 VanDerWaalsContact NE1-CA 3.34Å; M400-G404 VanDerWaalsContact CE-O 3.22Å; M400-G404 WeakPolarHBondContact CE-O 3.44Å; D401-G404 PolarHBondContact O-N 3.2Å; D401-G404 PolarHBondContact OD1-N 2.91Å
405	D	94.9	Very high	93.4	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.118	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-98.5	142.7	175.5	-68.8	-20.3	0	0	0	110.5	N154 T158 D401	N154-D405 WeakPolarHBondContact CB-OD1 3.46Å; T158-D405 HydrophobicContact CG2-CB 4.08Å; D401-D405 WeakPolarHBondContact CB-O 3.49Å; D401-D405 PolarHBondContact N-O 3.41Å; D401-D405 PolarHBondContact OD1-N 3.16Å
406	R	95.3	Very high	93	Very high	23 Å²	23	33.2 Å²	33.2	9%	0.087	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-72	135.8	174.5	175.1	176.7	178.1	171.3	-1.1	111.5	N154 T155 D348 S395 V398 M400 T408	N154-R406 PolarHBondContact O-N 3.33Å; T155-R406 WeakPolarHBondContact O-CD 3.34Å; T155-R406 PolarHBondContact O-NH1 2.8Å; D348-R406 VanDerWaalsContact CG-NH1 3.28Å; D348-R406 IonicContact OD1-CZ 3.87Å; D348-R406 IonicContact OD1-NH1 3.83Å; D348-R406 PolarHBondContact OD1-NH1 3.07Å; D348-R406 IonicContact OD1-NH2 3.76Å; D348-R406 IonicContact OD2-NH1 3.34Å; S395-R406 PolarHBondContact OG-NH1 3.17Å; S395-R406 VanDerWaalsContact OG-NH1 3.14Å; S395-R406 PolarHBondContact OG-NH2 3.38Å; V398-R406 HydrophobicContact CG1-CG 4.19Å; M400-R406 HydrophobicContact CE-CB 4.31Å; M400-R406 HydrophobicContact SD-CB 3.94Å; R406-T408 PolarHBondContact O-N 3.11Å; R406-T408 PolarHBondContact O-OG1 3.27Å
407	E	95.3	Very high	92.6	Very high	20 Å²	20	35.3 Å²	35.3	9%	0.093	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-65.5	124.3	166.6	-62.2	-65.2	-176.3	0	0	109.8	K161 K399	K161-E407 WeakPolarHBondContact CD-OE2 3.27Å; K161-E407 VanDerWaalsContact CE-OE2 3.31Å; K161-E407 WeakPolarHBondContact CE-OE2 3.32Å; K161-E407 IonicContact NZ-OE1 3.28Å; K161-E407 PolarHBondContact NZ-OE1 3.48Å; K161-E407 IonicContact NZ-OE2 2.8Å; K161-E407 PolarHBondContact NZ-OE2 2.93Å; K399-E407 HydrophobicContact CB-CB 4.4Å; K399-E407 HydrophobicContact CB-CG 4.34Å; K399-E407 HydrophobicContact CD-CG 4.15Å; K399-E407 HydrophobicContact CG-CG 4.11Å; K399-E407 PolarHBondContact O-N 3.13Å
408	T	94.2	Very high	92.1	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	16%	0.155	C	C	.	.			trans	-109.4	135.6	-171.8	-52.8	0	0	0	0	111	P157 Y310 R406 F410	P157-T408 WeakPolarHBondContact CA-OG1 3.41Å; P157-T408 HydrophobicContact CB-CG2 3.79Å; P157-T408 HydrophobicContact CG-CG2 4.24Å; Y310-T408 HydrophobicContact CD1-CG2 3.71Å; Y310-T408 HydrophobicContact CE1-CG2 3.85Å; R406-T408 PolarHBondContact O-N 3.11Å; R406-T408 PolarHBondContact O-OG1 3.27Å; T408-F410 HydrophobicContact CG2-CD2 4.39Å; T408-F410 HydrophobicContact CG2-CE1 4.3Å; T408-F410 HydrophobicContact CG2-CE2 3.81Å; T408-F410 HydrophobicContact CG2-CZ 3.75Å
409	D	94.3	Very high	91.6	Very high	53 Å²	53	38.1 Å²	38.1	28%	0.283	19%	0.189	S	C	.	.			trans	-95.2	139	175	-65.7	-9.8	0	0	0	110.7	M311 Y429 Y430 G431	M311-D409 HydrophobicContact CB-CB 3.86Å; M311-D409 PolarHBondContact N-O 3.1Å; D409-Y429 VanDerWaalsContact CA-O 3.27Å; D409-Y429 WeakPolarHBondContact CA-O 3.41Å; D409-Y429 WeakPolarHBondContact CB-O 3.41Å; D409-Y430 WeakPolarHBondContact OD1-CA 3.48Å; D409-G431 PolarHBondContact OD1-N 3Å
410	F	95.4	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	146.5	-177.1	-65.7	-89.2	0	0	0	111.2	K161 L162 F165 L272 T309 Y310 T408 V428 Y429	K161-F410 HydrophobicContact CB-CE2 4.26Å; K161-F410 HydrophobicContact CB-CZ 4.49Å; L162-F410 HydrophobicContact CB-CE1 4.2Å; L162-F410 HydrophobicContact CB-CZ 3.9Å; L162-F410 HydrophobicContact CD1-CD1 4.15Å; L162-F410 HydrophobicContact CD1-CE1 3.67Å; L162-F410 HydrophobicContact CD1-CZ 4.12Å; F165-F410 HydrophobicContact CB-CD2 3.75Å; F165-F410 HydrophobicContact CB-CE2 4.03Å; F165-F410 HydrophobicContact CB-CG 4.36Å; F165-F410 HydrophobicContact CD1-CB 4.47Å; F165-F410 HydrophobicContact CD1-CG 4.35Å; F165-F410 HydrophobicContact CD2-CB 4.23Å; F165-F410 HydrophobicContact CE2-CB 4.43Å; F165-F410 HydrophobicContact CG-CB 4.23Å; F165-F410 HydrophobicContact CG-CD2 4.03Å; F165-F410 HydrophobicContact CG-CG 4.16Å; L272-F410 HydrophobicContact CD2-CE1 4.08Å; T309-F410 WeakPolarHBondContact O-CA 3.36Å; Y310-F410 AromaticContact CD1-CD1 3.98Å; Y310-F410 HydrophobicContact CD1-CD1 3.98Å; Y310-F410 AromaticContact CD1-CE1 3.62Å; Y310-F410 HydrophobicContact CD1-CE1 3.62Å; Y310-F410 HydrophobicContact CD1-CZ 4.3Å; Y310-F410 HydrophobicContact CE1-CD1 4.27Å; Y310-F410 AromaticContact CE1-CE1 3.46Å; Y310-F410 HydrophobicContact CE1-CE1 3.46Å; Y310-F410 VanDerWaalsContact CE1-CE1 3.46Å; Y310-F410 AromaticContact CE1-CZ 3.96Å; Y310-F410 HydrophobicContact CE1-CZ 3.96Å; T408-F410 HydrophobicContact CG2-CD2 4.39Å; T408-F410 HydrophobicContact CG2-CE1 4.3Å; T408-F410 HydrophobicContact CG2-CE2 3.81Å; T408-F410 HydrophobicContact CG2-CZ 3.75Å; F410-V428 WeakPolarHBondContact O-CA 3.34Å; F410-Y429 AromaticContact CD2-CD1 3.87Å; F410-Y429 HydrophobicContact CD2-CD1 3.87Å; F410-Y429 HydrophobicContact CD2-CE1 4.4Å; F410-Y429 PolarHBondContact N-O 3.28Å; F410-Y429 PolarHBondContact O-N 3.42Å
411	A	93.6	Very high	90.4	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.4	174.8	0	0	0	0	0	110.7	T309 M311 V425	T309-A411 PolarHBondContact N-O 3.35Å; T309-A411 PolarHBondContact O-N 2.9Å; M311-A411 HydrophobicContact SD-CB 4Å; A411-V425 HydrophobicContact CB-CG1 4.13Å; A411-V425 HydrophobicContact CB-CG2 4.34Å
412	V	94.5	Very high	90.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	118.7	174.4	-174.2	0	0	0	0	108.4	F165 F169 K306 L308 V426 S427	F165-V412 HydrophobicContact CE2-CG2 4.13Å; F165-V412 HydrophobicContact CZ-CG2 3.74Å; F169-V412 HydrophobicContact CD2-CG2 4.48Å; F169-V412 HydrophobicContact CE2-CG1 4.37Å; F169-V412 HydrophobicContact CE2-CG2 4.01Å; K306-V412 HydrophobicContact CB-CG1 4.23Å; L308-V412 HydrophobicContact CD2-CB 4.36Å; L308-V412 HydrophobicContact CD2-CG1 4.08Å; L308-V412 HydrophobicContact CD2-CG2 3.87Å; V412-V426 HydrophobicContact CG1-CG2 4.45Å; V412-V426 WeakPolarHBondContact O-CG2 3.31Å; V412-V426 PolarHBondContact O-N 3.2Å; V412-S427 PolarHBondContact N-O 3.4Å; V412-S427 PolarHBondContact O-N 3.04Å
413	W	92.9	Very high	90.1	Very high	40 Å²	40	29.2 Å²	29.2	15%	0.152	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.4	177.7	-57.4	74.2	0	0	0	110.3	L277 Q285 K306 V307 T309 F423 Q424 V425	L277-W413 HydrophobicContact CD1-CD2 3.62Å; L277-W413 HydrophobicContact CD1-CE3 4.11Å; L277-W413 HydrophobicContact CD1-CG 3.82Å; L277-W413 HydrophobicContact CD1-CZ2 4.24Å; Q285-W413 VanDerWaalsContact CD-CZ3 3.47Å; Q285-W413 VanDerWaalsContact OE1-CH2 3.3Å; K306-W413 WeakPolarHBondContact CA-O 3.48Å; V307-W413 HydrophobicContact CB-CB 4.07Å; V307-W413 PolarHBondContact N-O 2.85Å; V307-W413 PolarHBondContact O-N 3.27Å; T309-W413 VanDerWaalsContact CG2-NE1 3.32Å; T309-W413 PolarHBondContact OG1-NE1 3.2Å; W413-F423 HydrophobicContact CB-CD1 4.28Å; W413-Q424 WeakPolarHBondContact CA-O 3.04Å; W413-Q424 VanDerWaalsContact CE3-C 3.44Å; W413-V425 HydrophobicContact CD2-CG2 3.72Å; W413-V425 VanDerWaalsContact CE2-CG2 3.48Å; W413-V425 HydrophobicContact CE3-CG2 3.83Å; W413-V425 HydrophobicContact CG-CG2 4.5Å; W413-V425 HydrophobicContact CH2-CG2 3.5Å; W413-V425 VanDerWaalsContact CH2-CG2 3.5Å; W413-V425 HydrophobicContact CZ2-CG2 3.41Å; W413-V425 VanDerWaalsContact CZ2-CG2 3.41Å; W413-V425 HydrophobicContact CZ3-CG2 3.68Å
414	D	92.8	Very high	90.1	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.3	178.6	-166.1	6.7	0	0	0	110.3	K306 T416 F423 Q424 V426 R442	K306-D414 HydrophobicContact CD-CB 3.74Å; K306-D414 WeakPolarHBondContact CD-OD1 3.2Å; K306-D414 VanDerWaalsContact CE-OD1 3.24Å; K306-D414 WeakPolarHBondContact CE-OD1 3.49Å; K306-D414 WeakPolarHBondContact CE-OD2 3.39Å; K306-D414 IonicContact NZ-OD1 2.69Å; K306-D414 PolarHBondContact NZ-OD1 2.85Å; K306-D414 IonicContact NZ-OD2 3.12Å; K306-D414 PolarHBondContact NZ-OD2 3.45Å; K306-D414 VanDerWaalsContact NZ-OD2 3.12Å; D414-T416 PolarHBondContact O-N 2.86Å; D414-T416 VanDerWaalsContact O-N 3.13Å; D414-F423 WeakPolarHBondContact O-CA 3.09Å; D414-Q424 PolarHBondContact N-O 3.21Å; D414-Q424 PolarHBondContact O-N 3.14Å; D414-V426 HydrophobicContact CB-CB 4.25Å; D414-V426 HydrophobicContact CB-CG1 3.72Å; D414-V426 HydrophobicContact CB-CG2 3.49Å; D414-V426 VanDerWaalsContact CB-CG2 3.49Å; D414-R442 PolarHBondContact OD2-N 2.98Å
415	M	90.3	Very high	90	Very high	10 Å²	10	33 Å²	33	5%	0.049	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	98.9	175.7	-173	-178.7	-67.3	0	0	109.7	F302 R303 E422 F423	F302-M415 HydrophobicContact CB-CE 4.15Å; R303-M415 HydrophobicContact CG-CE 4.37Å; R303-M415 HydrophobicContact CG-SD 3.81Å; M415-E422 WeakPolarHBondContact CA-O 3.39Å; M415-F423 HydrophobicContact CB-CD2 4.36Å; M415-F423 HydrophobicContact CB-CE2 4Å; M415-F423 HydrophobicContact CB-CZ 4.15Å; M415-F423 HydrophobicContact CE-CD2 4.49Å; M415-F423 HydrophobicContact CE-CE2 3.58Å; M415-F423 HydrophobicContact CE-CZ 4.16Å; M415-F423 HydrophobicContact CG-CE2 4.45Å
416	T	83.7	Confident	89.8	Confident	28 Å²	28	32.7 Å²	32.7	17%	0.172	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-32.4	-177.4	52.1	0	0	0	0	112.6	D414 E422 Q424 V426 R442	D414-T416 PolarHBondContact O-N 2.86Å; D414-T416 VanDerWaalsContact O-N 3.13Å; T416-E422 PolarHBondContact N-O 3.5Å; T416-Q424 HydrophobicContact CG2-CB 3.84Å; T416-Q424 HydrophobicContact CG2-CG 4.48Å; T416-Q424 PolarHBondContact OG1-OE1 3.43Å; T416-V426 HydrophobicContact CG2-CG1 3.77Å; T416-R442 PolarHBondContact O-NH1 2.87Å
417	D	82.3	Confident	89.7	Confident	62 Å²	62	31.7 Å²	31.7	33%	0.332	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	111.9	176.3	172.8	28	0	0	0	111.4	E419 S420 G421	D417-E419 PolarHBondContact O-N 2.96Å; D417-E419 WeakPolarHBondContact OD1-CB 3.41Å; D417-E419 PolarHBondContact OD1-N 3.28Å; D417-S420 VanDerWaalsContact CB-OG 3.29Å; D417-S420 WeakPolarHBondContact CB-OG 3.38Å; D417-S420 VanDerWaalsContact CG-OG 3.27Å; D417-S420 PolarHBondContact O-OG 3.26Å; D417-S420 WeakPolarHBondContact OD2-CB 3.37Å; D417-S420 PolarHBondContact OD2-N 3.09Å; D417-S420 PolarHBondContact OD2-OG 3.12Å; D417-G421 WeakPolarHBondContact O-CA 3.42Å; D417-G421 PolarHBondContact O-N 3.4Å
418	P	79.9	Confident	89.6	Confident	53 Å²	53	31.9 Å²	31.9	34%	0.344	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.7	176.9	-21.4	32.9	0	0	0	114.5	K299	K299-P418 VanDerWaalsContact CE-O 3.23Å; K299-P418 WeakPolarHBondContact CE-O 3.42Å; K299-P418 PolarHBondContact NZ-O 3.47Å
419	E	82.8	Confident	89.6	Confident	153 Å²	153	31.6 Å²	31.6	72%	0.715	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-42.5	-178.7	-69.3	-60.5	146.2	0	0	111.9	K299 D417	K299-E419 PolarHBondContact NZ-O 3.07Å; D417-E419 PolarHBondContact O-N 2.96Å; D417-E419 WeakPolarHBondContact OD1-CB 3.41Å; D417-E419 PolarHBondContact OD1-N 3.28Å
420	S	83.1	Confident	89.6	Confident	27 Å²	27	34.8 Å²	34.8	19%	0.189	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-28.3	170.5	60.1	0	0	0	0	113.2	R286 D417 E422	R286-S420 PolarHBondContact NE-O 3.49Å; D417-S420 VanDerWaalsContact CB-OG 3.29Å; D417-S420 WeakPolarHBondContact CB-OG 3.38Å; D417-S420 VanDerWaalsContact CG-OG 3.27Å; D417-S420 PolarHBondContact O-OG 3.26Å; D417-S420 WeakPolarHBondContact OD2-CB 3.37Å; D417-S420 PolarHBondContact OD2-N 3.09Å; D417-S420 PolarHBondContact OD2-OG 3.12Å; S420-E422 PolarHBondContact OG-N 2.93Å
421	G	84.4	Confident	89.3	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	21.3	-172.4	0	0	0	0	0	113.5	W288 D417	W288-G421 PolarHBondContact NE1-O 3Å; D417-G421 WeakPolarHBondContact O-CA 3.42Å; D417-G421 PolarHBondContact O-N 3.4Å
422	E	88.6	Confident	89.1	Confident	46 Å²	46	36.8 Å²	36.8	22%	0.215	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	138.7	-178.8	-168.1	-175.5	144.3	0	0	111.6	L284 M415 T416 S420 Q424	L284-E422 HydrophobicContact CD2-CG 4.42Å; L284-E422 WeakPolarHBondContact CD2-OE2 3.28Å; M415-E422 WeakPolarHBondContact CA-O 3.39Å; T416-E422 PolarHBondContact N-O 3.5Å; S420-E422 PolarHBondContact OG-N 2.93Å; E422-Q424 PolarHBondContact OE1-NE2 3.26Å
423	F	90.5	Very high	88.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.2	174.3	-82.2	-113.4	0	0	0	110.3	L277 Q285 P287 W288 F302 V307 W413 D414 M415	L277-F423 HydrophobicContact CD2-CB 4.28Å; Q285-F423 PolarHBondContact O-N 3.37Å; P287-F423 HydrophobicContact CG-CD1 4.36Å; P287-F423 HydrophobicContact CG-CD2 3.78Å; P287-F423 HydrophobicContact CG-CE1 4.46Å; P287-F423 HydrophobicContact CG-CE2 3.89Å; P287-F423 HydrophobicContact CG-CG 4.03Å; P287-F423 HydrophobicContact CG-CZ 4.24Å; W288-F423 AromaticContact CD1-CE2 3.96Å; F302-F423 HydrophobicContact CB-CE2 4.44Å; F302-F423 HydrophobicContact CB-CZ 4.23Å; F302-F423 HydrophobicContact CD1-CE2 4.47Å; F302-F423 HydrophobicContact CD1-CZ 4.15Å; V307-F423 HydrophobicContact CG2-CD1 4.14Å; V307-F423 HydrophobicContact CG2-CE1 4.09Å; W413-F423 HydrophobicContact CB-CD1 4.28Å; D414-F423 WeakPolarHBondContact O-CA 3.09Å; M415-F423 HydrophobicContact CB-CD2 4.36Å; M415-F423 HydrophobicContact CB-CE2 4Å; M415-F423 HydrophobicContact CB-CZ 4.15Å; M415-F423 HydrophobicContact CE-CD2 4.49Å; M415-F423 HydrophobicContact CE-CE2 3.58Å; M415-F423 HydrophobicContact CE-CZ 4.16Å; M415-F423 HydrophobicContact CG-CE2 4.45Å
424	Q	90.5	Very high	88.8	Confident	83 Å²	83	43.3 Å²	43.3	39%	0.388	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	157.1	176	-64.8	176.2	-11	0	0	109.9	W413 D414 T416 E422 V426	W413-Q424 WeakPolarHBondContact CA-O 3.04Å; W413-Q424 VanDerWaalsContact CE3-C 3.44Å; D414-Q424 PolarHBondContact N-O 3.21Å; D414-Q424 PolarHBondContact O-N 3.14Å; T416-Q424 HydrophobicContact CG2-CB 3.84Å; T416-Q424 HydrophobicContact CG2-CG 4.48Å; T416-Q424 PolarHBondContact OG1-OE1 3.43Å; E422-Q424 PolarHBondContact OE1-NE2 3.26Å; Q424-V426 PolarHBondContact O-N 3.49Å
425	V	90.3	Very high	88.7	Confident	59 Å²	59	45.6 Å²	45.6	36%	0.358	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	118.5	174.6	-177.1	0	0	0	0	109.1	A411 W413 V428	A411-V425 HydrophobicContact CB-CG1 4.13Å; A411-V425 HydrophobicContact CB-CG2 4.34Å; W413-V425 HydrophobicContact CD2-CG2 3.72Å; W413-V425 VanDerWaalsContact CE2-CG2 3.48Å; W413-V425 HydrophobicContact CE3-CG2 3.83Å; W413-V425 HydrophobicContact CG-CG2 4.5Å; W413-V425 HydrophobicContact CH2-CG2 3.5Å; W413-V425 VanDerWaalsContact CH2-CG2 3.5Å; W413-V425 HydrophobicContact CZ2-CG2 3.41Å; W413-V425 VanDerWaalsContact CZ2-CG2 3.41Å; W413-V425 HydrophobicContact CZ3-CG2 3.68Å; V425-V428 HydrophobicContact CG1-CG2 3.8Å
426	V	91.7	Very high	88.6	Confident	15 Å²	15	46 Å²	46	9%	0.091	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-24.7	177.6	-67.7	0	0	0	0	112.7	V412 D414 T416 Q424 N440 I441	V412-V426 HydrophobicContact CG1-CG2 4.45Å; V412-V426 WeakPolarHBondContact O-CG2 3.31Å; V412-V426 PolarHBondContact O-N 3.2Å; D414-V426 HydrophobicContact CB-CB 4.25Å; D414-V426 HydrophobicContact CB-CG1 3.72Å; D414-V426 HydrophobicContact CB-CG2 3.49Å; D414-V426 VanDerWaalsContact CB-CG2 3.49Å; T416-V426 HydrophobicContact CG2-CG1 3.77Å; Q424-V426 PolarHBondContact O-N 3.49Å; V426-N440 HydrophobicContact CB-CB 4.03Å; V426-N440 WeakPolarHBondContact O-CB 3.36Å; V426-I441 HydrophobicContact CG2-CG1 3.79Å
427	S	92.6	Very high	88.7	Confident	3 Å²	3	48.7 Å²	48.7	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	143.7	-177.9	-179.5	0	0	0	0	110.4	V412 L436 D437	V412-S427 PolarHBondContact N-O 3.4Å; V412-S427 PolarHBondContact O-N 3.04Å; S427-L436 VanDerWaalsContact OG-CD1 3.25Å; S427-L436 WeakPolarHBondContact OG-CD1 3.13Å; S427-D437 WeakPolarHBondContact CB-O 3.48Å; S427-D437 PolarHBondContact OG-O 2.88Å
428	V	93.2	Very high	88.6	Confident	24 Å²	24	50.3 Å²	50.3	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.3	175.7	-178.4	0	0	0	0	108.3	M311 F410 V425 Y430	M311-V428 HydrophobicContact CG-CG1 4.38Å; M311-V428 HydrophobicContact SD-CG1 4.28Å; M311-V428 HydrophobicContact SD-CG2 4.18Å; F410-V428 WeakPolarHBondContact O-CA 3.34Å; V425-V428 HydrophobicContact CG1-CG2 3.8Å; V428-Y430 HydrophobicContact CB-CE2 4.34Å; V428-Y430 HydrophobicContact CG1-CD1 4.38Å; V428-Y430 HydrophobicContact CG1-CD2 4.49Å; V428-Y430 HydrophobicContact CG1-CE1 4Å; V428-Y430 HydrophobicContact CG1-CE2 4.12Å
429	Y	94.4	Very high	88.4	Confident	4 Å²	4	51.7 Å²	51.7	2%	0.016	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	123.5	168.7	176.3	-101	0	0	0	109.4	F165 K168 D409 F410 L436	F165-Y429 HydrophobicContact CB-CD1 4.03Å; F165-Y429 HydrophobicContact CB-CE1 4.04Å; F165-Y429 HydrophobicContact CB-CG 4.36Å; F165-Y429 VanDerWaalsContact CD2-CB 3.46Å; F165-Y429 AromaticContact CD2-CD1 3.98Å; F165-Y429 HydrophobicContact CD2-CD1 3.98Å; F165-Y429 AromaticContact CD2-CD2 3.92Å; F165-Y429 HydrophobicContact CD2-CD2 3.92Å; F165-Y429 AromaticContact CD2-CG 3.51Å; F165-Y429 HydrophobicContact CD2-CG 3.51Å; F165-Y429 HydrophobicContact CE2-CG 4.31Å; F165-Y429 HydrophobicContact CG-CD1 4.41Å; F165-Y429 HydrophobicContact CG-CG 4.37Å; K168-Y429 HydrophobicContact CB-CE2 4.04Å; K168-Y429 HydrophobicContact CG-CD2 4.44Å; K168-Y429 HydrophobicContact CG-CE2 3.95Å; D409-Y429 VanDerWaalsContact CA-O 3.27Å; D409-Y429 WeakPolarHBondContact CA-O 3.41Å; D409-Y429 WeakPolarHBondContact CB-O 3.41Å; F410-Y429 AromaticContact CD2-CD1 3.87Å; F410-Y429 HydrophobicContact CD2-CD1 3.87Å; F410-Y429 HydrophobicContact CD2-CE1 4.4Å; F410-Y429 PolarHBondContact N-O 3.28Å; F410-Y429 PolarHBondContact O-N 3.42Å; Y429-L436 HydrophobicContact CD2-CB 4.25Å; Y429-L436 HydrophobicContact CD2-CD1 4.46Å
430	Y	93.1	Very high	88.4	Confident	120 Å²	120	48.8 Å²	48.8	47%	0.471	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	111.2	172.9	-63.6	-76.5	0	0	0	109.2	D409 V428 S432 S433 K434 S435	D409-Y430 WeakPolarHBondContact OD1-CA 3.48Å; V428-Y430 HydrophobicContact CB-CE2 4.34Å; V428-Y430 HydrophobicContact CG1-CD1 4.38Å; V428-Y430 HydrophobicContact CG1-CD2 4.49Å; V428-Y430 HydrophobicContact CG1-CE1 4Å; V428-Y430 HydrophobicContact CG1-CE2 4.12Å; Y430-S432 VanDerWaalsContact C-N 3.3Å; Y430-S432 PolarHBondContact O-N 3.33Å; Y430-S433 VanDerWaalsContact CB-OG 3.3Å; Y430-S433 WeakPolarHBondContact CB-OG 3.23Å; Y430-S433 PolarHBondContact O-N 2.88Å; Y430-S433 PolarHBondContact O-OG 2.82Å; Y430-K434 VanDerWaalsContact O-CA 3.3Å; Y430-K434 WeakPolarHBondContact O-CA 3.44Å; Y430-K434 PolarHBondContact O-N 3.34Å; Y430-S435 PolarHBondContact N-O 2.92Å; Y430-S435 VanDerWaalsContact N-O 3.07Å; Y430-S435 PolarHBondContact O-N 3.07Å
431	G	90.8	Very high	88.5	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.6	-178.1	0	0	0	0	0	112.4	D409 S433 K434	D409-G431 PolarHBondContact OD1-N 3Å; G431-S433 PolarHBondContact O-N 3.08Å; G431-K434 WeakPolarHBondContact O-CG 3.49Å; G431-K434 PolarHBondContact O-N 2.92Å
432	S	89.3	Confident	88.5	Confident	42 Å²	42	55.1 Å²	55.1	29%	0.294	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-38.9	-179.2	-74.5	0	0	0	0	114.3	K399 Y430	K399-S432 WeakPolarHBondContact CD-OG 3.45Å; K399-S432 PolarHBondContact NZ-O 3.08Å; Y430-S432 VanDerWaalsContact C-N 3.3Å; Y430-S432 PolarHBondContact O-N 3.33Å
433	S	90.2	Very high	88.5	Confident	77 Å²	77	54.6 Å²	54.6	54%	0.538	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	-11.2	178.9	55	0	0	0	0	113.3	Y430 G431 S435	Y430-S433 VanDerWaalsContact CB-OG 3.3Å; Y430-S433 WeakPolarHBondContact CB-OG 3.23Å; Y430-S433 PolarHBondContact O-N 2.88Å; Y430-S433 PolarHBondContact O-OG 2.82Å; G431-S433 PolarHBondContact O-N 3.08Å; S433-S435 PolarHBondContact O-N 3.04Å; S433-S435 PolarHBondContact OG-OG 2.94Å
434	K	89.8	Confident	88.1	Confident	100 Å²	100	57 Å²	57	44%	0.435	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	36.5	-173.1	-52	-166.3	-178	-146.5	0	113	E164 K168 Y430 G431	E164-K434 IonicContact OE2-NZ 3.79Å; E164-K434 PolarHBondContact OE2-NZ 3.13Å; K168-K434 WeakPolarHBondContact CE-O 3.45Å; Y430-K434 VanDerWaalsContact O-CA 3.3Å; Y430-K434 WeakPolarHBondContact O-CA 3.44Å; Y430-K434 PolarHBondContact O-N 3.34Å; G431-K434 WeakPolarHBondContact O-CG 3.49Å; G431-K434 PolarHBondContact O-N 2.92Å
435	S	90.6	Very high	87.5	Confident	52 Å²	52	54.5 Å²	54.5	36%	0.364	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	139.4	-179.2	60	0	0	0	0	111.7	Y430 S433	Y430-S435 PolarHBondContact N-O 2.92Å; Y430-S435 VanDerWaalsContact N-O 3.07Å; Y430-S435 PolarHBondContact O-N 3.07Å; S433-S435 PolarHBondContact O-N 3.04Å; S433-S435 PolarHBondContact OG-OG 2.94Å
436	L	89.8	Confident	87.1	Confident	17 Å²	17	55.2 Å²	55.2	9%	0.089	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130.8	176.1	-177.5	73	0	0	0	108.9	F165 K168 F169 E172 S427 Y429	F165-L436 HydrophobicContact CE2-CD1 4.04Å; K168-L436 HydrophobicContact CG-CB 4.46Å; F169-L436 HydrophobicContact CB-CD2 4.33Å; F169-L436 HydrophobicContact CD2-CD2 3.51Å; F169-L436 HydrophobicContact CE2-CD2 4.2Å; F169-L436 HydrophobicContact CG-CD2 4.28Å; E172-L436 HydrophobicContact CB-CD2 4.38Å; E172-L436 HydrophobicContact CG-CB 4.49Å; E172-L436 HydrophobicContact CG-CD2 4.03Å; S427-L436 VanDerWaalsContact OG-CD1 3.25Å; S427-L436 WeakPolarHBondContact OG-CD1 3.13Å; Y429-L436 HydrophobicContact CD2-CB 4.25Å; Y429-L436 HydrophobicContact CD2-CD1 4.46Å
437	D	84.6	Confident	86.8	Confident	86 Å²	86	60 Å²	60	46%	0.46	33%	0.332	S	S	.	.			trans	-93.2	115.7	171.9	-176.6	2.6	0	0	0	110.8	S427 S439	S427-D437 WeakPolarHBondContact CB-O 3.48Å; S427-D437 PolarHBondContact OG-O 2.88Å; D437-S439 VanDerWaalsContact CG-OG 3.28Å; D437-S439 VanDerWaalsContact OD1-CB 3.31Å; D437-S439 WeakPolarHBondContact OD1-CB 3.27Å; D437-S439 PolarHBondContact OD1-N 3.39Å; D437-S439 PolarHBondContact OD1-OG 3.47Å; D437-S439 PolarHBondContact OD2-OG 2.83Å
438	K	80.5	Confident	86.6	Confident	95 Å²	95	63.9 Å²	63.9	41%	0.413	35%	0.351	S	S	.	.			trans	-93.1	-4	-178	68.3	-174.4	174.6	-160.1	0	115.2	E172 F173 N440 I441	E172-K438 HydrophobicContact CB-CD 4.19Å; E172-K438 PolarHBondContact O-NZ 3.11Å; E172-K438 IonicContact OE2-NZ 2.83Å; E172-K438 PolarHBondContact OE2-NZ 3.37Å; F173-K438 HydrophobicContact CE1-CB 4.43Å; F173-K438 HydrophobicContact CZ-CB 4.01Å; K438-N440 VanDerWaalsContact C-N 3.3Å; K438-N440 PolarHBondContact O-N 3.2Å; K438-I441 PolarHBondContact O-N 2.8Å
439	S	75.9	Confident	86.5	Confident	82 Å²	82	62.9 Å²	62.9	57%	0.573	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-26.7	-163.7	56.2	0	0	0	0	115.3	D437	D437-S439 VanDerWaalsContact CG-OG 3.28Å; D437-S439 VanDerWaalsContact OD1-CB 3.31Å; D437-S439 WeakPolarHBondContact OD1-CB 3.27Å; D437-S439 PolarHBondContact OD1-N 3.39Å; D437-S439 PolarHBondContact OD1-OG 3.47Å; D437-S439 PolarHBondContact OD2-OG 2.83Å
440	N	81.9	Confident	86.3	Confident	92 Å²	92	66.8 Å²	66.8	49%	0.492	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	1.5	-172.4	-59.6	-44.3	0	0	0	115	V426 K438	V426-N440 HydrophobicContact CB-CB 4.03Å; V426-N440 WeakPolarHBondContact O-CB 3.36Å; K438-N440 VanDerWaalsContact C-N 3.3Å; K438-N440 PolarHBondContact O-N 3.2Å
441	I	86.8	Confident	86.1	Confident	15 Å²	15	61.7 Å²	61.7	8%	0.077	35%	0.35	C	S	.	.			trans	-77.7	127	-178.3	-65.1	168	0	0	0	110	F169 F173 V426 K438 W443	F169-I441 HydrophobicContact CE2-CD1 3.87Å; F169-I441 HydrophobicContact CZ-CD1 4.09Å; F173-I441 HydrophobicContact CE2-CD1 4.03Å; F173-I441 HydrophobicContact CZ-CB 4.34Å; F173-I441 HydrophobicContact CZ-CD1 3.67Å; F173-I441 HydrophobicContact CZ-CG2 4.34Å; V426-I441 HydrophobicContact CG2-CG1 3.79Å; K438-I441 PolarHBondContact O-N 2.8Å; I441-W443 HydrophobicContact CG2-CH2 3.94Å; I441-W443 HydrophobicContact CG2-CZ2 3.57Å
442	R	84.3	Confident	85.9	Confident	146 Å²	146	64.7 Å²	64.7	55%	0.551	37%	0.365	S	S	*	.			trans	-106.8	146.3	-175.5	-62.8	-174.2	-177	176.4	8.3	112.3	K306 D414 T416	K306-R442 WeakPolarHBondContact CE-O 3.32Å; K306-R442 PolarHBondContact NZ-O 2.97Å; D414-R442 PolarHBondContact OD2-N 2.98Å; T416-R442 PolarHBondContact O-NH1 2.87Å
443	W	88.1	Confident	85.6	Confident	34 Å²	34	64 Å²	64	13%	0.129	36%	0.36	C	S	.	.			trans	-118.7	133.4	179.9	-55.2	107.8	0	0	0	110.9	F173 W175 V266 I441 G445 G446 K447 P449	F173-W443 HydrophobicContact CD1-CZ2 4.02Å; F173-W443 AromaticContact CE1-CZ2 3.7Å; F173-W443 HydrophobicContact CE1-CZ2 3.7Å; F173-W443 AromaticContact CZ-CZ2 3.99Å; F173-W443 HydrophobicContact CZ-CZ2 3.99Å; W175-W443 AromaticContact CH2-CH2 3.66Å; W175-W443 HydrophobicContact CH2-CH2 3.66Å; W175-W443 HydrophobicContact CH2-CZ2 4.25Å; W175-W443 HydrophobicContact CH2-CZ3 4.39Å; W175-W443 HydrophobicContact CZ2-CH2 4.06Å; W175-W443 HydrophobicContact CZ2-CZ2 4.39Å; V266-W443 HydrophobicContact CB-CZ3 3.87Å; V266-W443 HydrophobicContact CG2-CH2 4.07Å; V266-W443 HydrophobicContact CG2-CZ3 3.57Å; I441-W443 HydrophobicContact CG2-CH2 3.94Å; I441-W443 HydrophobicContact CG2-CZ2 3.57Å; W443-G445 VanDerWaalsContact C-N 3.32Å; W443-G445 PolarHBondContact O-N 2.65Å; W443-G446 PolarHBondContact O-N 3.25Å; W443-K447 WeakPolarHBondContact CB-O 3.35Å; W443-P449 HydrophobicContact CE3-CG 4.01Å; W443-P449 HydrophobicContact CZ3-CG 4.4Å
444	P	82.5	Confident	85	Confident	52 Å²	52	68.7 Å²	68.7	34%	0.338	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-43.8	-178	-29.4	35.7	0	0	0	114.4	E263 R303 G446	E263-P444 HydrophobicContact CG-CB 4.21Å; R303-P444 HydrophobicContact CB-CG 4.09Å; R303-P444 WeakPolarHBondContact O-CG 3.38Å; P444-G446 VanDerWaalsContact C-N 3.33Å; P444-G446 PolarHBondContact O-N 3.03Å
445	G	76.9	Confident	84.3	Confident	29 Å²	29	65.6 Å²	65.6	30%	0.299	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	9.6	179.2	0	0	0	0	0	114.9	W443 K447	W443-G445 VanDerWaalsContact C-N 3.32Å; W443-G445 PolarHBondContact O-N 2.65Å; G445-K447 PolarHBondContact O-N 2.91Å
446	G	82.1	Confident	83.7	Confident	74 Å²	74	64 Å²	64	76%	0.763	36%	0.355	S	S	*	.	S	Bend	trans	68.6	-5.4	-176.9	0	0	0	0	0	115.6	W443 P444	W443-G446 PolarHBondContact O-N 3.25Å; P444-G446 VanDerWaalsContact C-N 3.33Å; P444-G446 PolarHBondContact O-N 3.03Å
447	K	86.1	Confident	83.3	Confident	116 Å²	116	65.6 Å²	65.6	50%	0.504	36%	0.362	S	S	.	.	S	Bend	trans	-115	148.9	175.3	62.1	178.1	-177.9	166.6	0	109.9	D264 W443 G445 P449	D264-K447 IonicContact OD1-NZ 3.22Å; D264-K447 PolarHBondContact OD1-NZ 2.84Å; W443-K447 WeakPolarHBondContact CB-O 3.35Å; G445-K447 PolarHBondContact O-N 2.91Å; K447-P449 WeakPolarHBondContact O-CD 3.38Å
448	I	88.8	Confident	82.7	Confident	84 Å²	84	70.8 Å²	70.8	43%	0.431	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-67.6	127.2	171.9	-58.6	161.6	0	0	0	107.7	F173 W175	F173-I448 HydrophobicContact CB-CG2 4.35Å; F173-I448 HydrophobicContact CD1-CD1 4.09Å; F173-I448 HydrophobicContact CD1-CG1 4.35Å; F173-I448 HydrophobicContact CD1-CG2 4.08Å; W175-I448 HydrophobicContact CZ2-CG2 3.82Å
449	P	90.1	Very high	82	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.019	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-58.3	141.8	173.6	-25.5	35.4	0	0	0	111.6	W175 V266 W443 K447	W175-P449 PolarHBondContact NE1-O 3.38Å; V266-P449 HydrophobicContact CB-CG 4.43Å; W443-P449 HydrophobicContact CE3-CG 4.01Å; W443-P449 HydrophobicContact CZ3-CG 4.4Å; K447-P449 WeakPolarHBondContact O-CD 3.38Å
450	V	89.9	Confident	81.5	Confident	86 Å²	86	72.7 Å²	72.7	52%	0.521	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-84.7	139.7	173.5	-66.9	0	0	0	0	110.1	R237 M452	R237-V450 VanDerWaalsContact CB-O 3.28Å; R237-V450 WeakPolarHBondContact CB-O 3.44Å; V450-M452 VanDerWaalsContact C-N 3.28Å; V450-M452 WeakPolarHBondContact CG2-O 3.42Å; V450-M452 PolarHBondContact O-N 2.76Å
451	D	88.9	Confident	80.5	Confident	13 Å²	13	72.8 Å²	72.8	7%	0.07	38%	0.38	C	S	.	.	S	Bend	trans	-68.2	-29.3	-179.3	69.5	-29.4	0	0	0	112.8	W175 M176 R177 H178 V238	W175-D451 HydrophobicContact CB-CB 3.93Å; W175-D451 HydrophobicContact CG-CB 4.04Å; M176-D451 PolarHBondContact N-OD2 2.73Å; R177-D451 WeakPolarHBondContact CA-OD2 3.44Å; R177-D451 WeakPolarHBondContact CB-OD2 3.36Å; R177-D451 PolarHBondContact N-OD2 3.14Å; H178-D451 PolarHBondContact N-OD2 2.9Å; H178-D451 VanDerWaalsContact N-OD2 3.15Å; V238-D451 HydrophobicContact CG2-CB 3.98Å
452	M	86.5	Confident	79.2	Confident	63 Å²	63	76.7 Å²	76.7	31%	0.31	41%	0.407	S	S	.	.	S	Bend	trans	-126.9	126.9	173.9	-171.6	175.8	-68.2	0	0	111	R177 H178 V450 F457	R177-M452 HydrophobicContact CB-CE 3.99Å; H178-M452 HydrophobicContact CB-CE 3.98Å; V450-M452 VanDerWaalsContact C-N 3.28Å; V450-M452 WeakPolarHBondContact CG2-O 3.42Å; V450-M452 PolarHBondContact O-N 2.76Å; M452-F457 HydrophobicContact CG-CE2 4.33Å
453	P	83.8	Confident	78.1	Confident	28 Å²	28	74 Å²	74	18%	0.182	41%	0.407	C	S	.	.			trans	-57.2	150	173.2	-23.8	33.3	0	0	0	112.4	R237 C455 G456 F457	R237-P453 HydrophobicContact CG-CG 4.14Å; P453-C455 PolarHBondContact O-N 3.01Å; P453-C455 VanDerWaalsContact O-N 3.1Å; P453-G456 PolarHBondContact O-N 3.46Å; P453-F457 HydrophobicContact CG-CD1 4.27Å; P453-F457 HydrophobicContact CG-CE1 4.1Å; P453-F457 HydrophobicContact CG-CZ 4.41Å
454	E	76.4	Confident	76.9	Confident	176 Å²	176	73.8 Å²	73.8	82%	0.822	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-34	-177	-66.6	-171	166.4	0	0	114
455	C	76.6	Confident	75.7	Confident	34 Å²	34	76.6 Å²	76.6	23%	0.23	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	1	178.8	-57	0	0	0	0	113.9	P453 N459 D460 H461 C464	P453-C455 PolarHBondContact O-N 3.01Å; P453-C455 VanDerWaalsContact O-N 3.1Å; C455-N459 WeakPolarHBondContact CB-OD1 3.48Å; C455-N459 CarbonylContact O-C 3.38Å; C455-N459 WeakPolarHBondContact O-CA 3.46Å; C455-D460 PolarHBondContact O-N 3.2Å; C455-H461 WeakPolarHBondContact O-CB 3.27Å; C455-H461 PolarHBondContact O-N 3.17Å; C455-C464 VanDerWaalsContact CA-SG 3.51Å; C455-C464 HydrophobicContact CB-CB 3.6Å; C455-C464 WeakPolarHBondContact CB-SG 3.45Å; C455-C464 WeakPolarHBondContact SG-CB 3.39Å; C455-C464 CovalentContact SG-SG 2.03Å; C455-C464 PolarHBondContact SG-SG 3.32Å
456	G	77.9	Confident	74.7	Confident	18 Å²	18	78.9 Å²	78.9	19%	0.186	44%	0.438	C	S	.	.			trans	71.9	161.6	-167.9	0	0	0	0	0	112.9	P453 R458 N459	P453-G456 PolarHBondContact O-N 3.46Å; G456-R458 PolarHBondContact O-N 2.95Å; G456-N459 PolarHBondContact O-N 3.07Å
457	F	81.4	Confident	73.5	Confident	51 Å²	51	86.5 Å²	86.5	22%	0.224	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-29.1	-177.4	-73.8	-75.9	0	0	0	114.3	H178 D234 N235 G236 R237 M452 P453	H178-F457 HydrophobicContact CB-CE2 4.18Å; H178-F457 AromaticContact CG-CE2 3.75Å; H178-F457 AromaticContact ND1-CE2 3.76Å; D234-F457 WeakPolarHBondContact O-CB 3.17Å; D234-F457 WeakPolarHBondContact O-CD1 3.3Å; N235-F457 VanDerWaalsContact C-CE1 3.47Å; G236-F457 VanDerWaalsContact N-CE1 3.28Å; R237-F457 HydrophobicContact CG-CE1 4.13Å; R237-F457 HydrophobicContact CG-CZ 4.2Å; M452-F457 HydrophobicContact CG-CE2 4.33Å; P453-F457 HydrophobicContact CG-CD1 4.27Å; P453-F457 HydrophobicContact CG-CE1 4.1Å; P453-F457 HydrophobicContact CG-CZ 4.41Å
458	R	71.9	Confident	71.8	Confident	196 Å²	196	85 Å²	85	74%	0.74	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	7.2	180	-68.1	-176.8	-177.8	-173.5	1.5	114.2	G456 D460	G456-R458 PolarHBondContact O-N 2.95Å; R458-D460 VanDerWaalsContact CB-OD2 3.23Å; R458-D460 WeakPolarHBondContact CB-OD2 3.06Å; R458-D460 PolarHBondContact O-N 2.75Å
459	N	66.4	Low	70.1	Confident	101 Å²	101	86.2 Å²	86.2	54%	0.54	45%	0.45	S	S	.	.	S	Bend	trans	61.7	24.5	-173.3	-101.4	-5.3	0	0	0	114.4	C455 G456 H461	C455-N459 WeakPolarHBondContact CB-OD1 3.48Å; C455-N459 CarbonylContact O-C 3.38Å; C455-N459 WeakPolarHBondContact O-CA 3.46Å; G456-N459 PolarHBondContact O-N 3.07Å; N459-H461 VanDerWaalsContact C-N 3.29Å; N459-H461 PolarHBondContact O-N 3.04Å
460	D	63.5	Low	68.8	Low	116 Å²	116	90.2 Å²	90.2	62%	0.62	48%	0.475	S	S	*	.			trans	-81.4	-5.8	-174.4	-63	-23.8	0	0	0	113.4	C455 R458	C455-D460 PolarHBondContact O-N 3.2Å; R458-D460 VanDerWaalsContact CB-OD2 3.23Å; R458-D460 WeakPolarHBondContact CB-OD2 3.06Å; R458-D460 PolarHBondContact O-N 2.75Å
461	H	61.8	Low	67.2	Low	93 Å²	93	93.8 Å²	93.8	43%	0.431	49%	0.488	S	S	.	.			trans	-72.2	127.9	-177.4	-153.8	-85.1	0	0	0	111.3	C455 N459 T463 C464 L465	C455-H461 WeakPolarHBondContact O-CB 3.27Å; C455-H461 PolarHBondContact O-N 3.17Å; N459-H461 VanDerWaalsContact C-N 3.29Å; N459-H461 PolarHBondContact O-N 3.04Å; H461-T463 PolarHBondContact ND1-OG1 3.02Å; H461-T463 PolarHBondContact O-N 2.93Å; H461-C464 PolarHBondContact O-N 3.22Å; H461-L465 PolarHBondContact O-N 3.1Å
462	P	60.4	Low	65.7	Low	97 Å²	97	100.8 Å²	100.8	63%	0.63	52%	0.52	S	S	*	.	H	α-helix	trans	-61.4	-24.6	-170.4	18.7	-30.6	0	0	0	114.4	A466	P462-A466 PolarHBondContact O-N 2.92Å
463	T	60.7	Low	64.3	Low	90 Å²	90	102 Å²	102	55%	0.552	53%	0.525	S	S	*	.	H	α-helix	trans	-69.4	-31.1	175.8	47.9	0	0	0	0	113.5	H461	H461-T463 PolarHBondContact ND1-OG1 3.02Å; H461-T463 PolarHBondContact O-N 2.93Å
464	C	62.3	Low	62.9	Low	30 Å²	30	106.2 Å²	106.2	20%	0.203	54%	0.543	C	S	.	.	H	α-helix	trans	-86.4	-29.7	176.5	-64.6	0	0	0	0	112.2	C455 H461 A466 R467	C455-C464 VanDerWaalsContact CA-SG 3.51Å; C455-C464 HydrophobicContact CB-CB 3.6Å; C455-C464 WeakPolarHBondContact CB-SG 3.45Å; C455-C464 WeakPolarHBondContact SG-CB 3.39Å; C455-C464 CovalentContact SG-SG 2.03Å; C455-C464 PolarHBondContact SG-SG 3.32Å; H461-C464 PolarHBondContact O-N 3.22Å; C464-A466 VanDerWaalsContact C-N 3.27Å; C464-A466 PolarHBondContact O-N 3.36Å; C464-R467 PolarHBondContact O-N 3.13Å
465	L	57.9	Low	62.5	Low	111 Å²	111	102 Å²	102	58%	0.581	53%	0.53	S	S	*	.	H	α-helix	trans	-62.4	-35.1	170.9	-130.3	90.7	0	0	0	112	H461 R467 T468	H461-L465 PolarHBondContact O-N 3.1Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3.14Å; L465-T468 PolarHBondContact O-OG1 3.32Å; L465-T468 VanDerWaalsContact O-OG1 3.11Å
466	A	56.5	Low	61.8	Low	77 Å²	77	102.7 Å²	102.7	64%	0.636	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-20	-179.9	0	0	0	0	0	114.4	P462 C464	P462-A466 PolarHBondContact O-N 2.92Å; C464-A466 VanDerWaalsContact C-N 3.27Å; C464-A466 PolarHBondContact O-N 3.36Å
467	R	56.1	Low	61.3	Low	234 Å²	234	106 Å²	106	88%	0.883	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-7.7	-177.5	-110	179.9	177.9	174.5	0.2	114.4	C464 L465	C464-R467 PolarHBondContact O-N 3.13Å; L465-R467 VanDerWaalsContact C-N 3.28Å; L465-R467 PolarHBondContact O-N 3.14Å
468	T	50.8	Low	61	Low	83 Å²	83	108 Å²	108	51%	0.509	57%	0.566	S	S	.	*			trans	-109.1	13.9	-168.2	47.5	0	0	0	0	115.4	L465 T470 Q473	L465-T468 PolarHBondContact O-OG1 3.32Å; L465-T468 VanDerWaalsContact O-OG1 3.11Å; T468-T470 PolarHBondContact O-N 2.82Å; T468-Q473 PolarHBondContact O-OE1 2.91Å
469	I	51.6	Low	61.3	Low	111 Å²	111	104 Å²	104	57%	0.569	56%	0.558	S	S	*	*			trans	-88.8	92.4	175.2	-52.9	178.7	0	0	0	110.1	M474	I469-M474 HydrophobicContact CG2-CG 4.37Å
470	T	63.7	Low	61.6	Low	87 Å²	87	102.6 Å²	102.6	53%	0.534	56%	0.556	S	S	.	*			trans	-86.3	154.3	169.3	52.4	0	0	0	0	111.1	T468 H472 Q473	T468-T470 PolarHBondContact O-N 2.82Å; T470-H472 PolarHBondContact O-N 3.44Å; T470-Q473 WeakPolarHBondContact O-CB 3.3Å; T470-Q473 PolarHBondContact O-N 3.48Å
471	M	55.5	Low	62.2	Low	160 Å²	160	103.3 Å²	103.3	79%	0.788	55%	0.554	S	S	*	*	H	α-helix	trans	-52.6	-24	-175.2	-68.3	-72.3	-88.4	0	0	114.8
472	H	57.3	Low	63.1	Low	161 Å²	161	102.7 Å²	102.7	75%	0.745	56%	0.556	S	S	*	*	H	α-helix	trans	-72.5	-28.4	175.3	-64.8	-61.1	0	0	0	113.7	T470 V475 A476	T470-H472 PolarHBondContact O-N 3.44Å; H472-V475 PolarHBondContact O-N 3.49Å; H472-A476 PolarHBondContact O-N 3.37Å; H472-A476 VanDerWaalsContact O-N 3.11Å
473	Q	57.7	Low	64	Low	88 Å²	88	104.3 Å²	104.3	41%	0.411	55%	0.554	S	S	.	*	H	α-helix	trans	-74.2	-30.7	177	-69.6	-176.4	-15.8	0	0	112.3	T468 T470 V475 A476 I477	T468-Q473 PolarHBondContact O-OE1 2.91Å; T470-Q473 WeakPolarHBondContact O-CB 3.3Å; T470-Q473 PolarHBondContact O-N 3.48Å; Q473-V475 VanDerWaalsContact C-N 3.31Å; Q473-V475 PolarHBondContact O-N 2.82Å; Q473-A476 PolarHBondContact O-N 3.4Å; Q473-I477 WeakPolarHBondContact O-CB 3.46Å; Q473-I477 WeakPolarHBondContact O-CD1 3.1Å; Q473-I477 WeakPolarHBondContact O-CG1 3.18Å; Q473-I477 PolarHBondContact O-N 2.79Å
474	M	55.4	Low	64.8	Low	116 Å²	116	104.4 Å²	104.4	57%	0.571	55%	0.549	S	S	*	.	H	α-helix	trans	-62.6	-37.8	173.1	-75.3	-74.8	-77	0	0	112	I469 V478	I469-M474 HydrophobicContact CG2-CG 4.37Å; M474-V478 WeakPolarHBondContact O-CG2 3.37Å; M474-V478 PolarHBondContact O-N 3.43Å
475	V	66.1	Low	65.7	Low	89 Å²	89	107.1 Å²	107.1	54%	0.539	56%	0.561	S	S	.	*	H	α-helix	trans	-71.6	-40.2	175.1	179.6	0	0	0	0	111	H472 Q473 I477 V478 I479	H472-V475 PolarHBondContact O-N 3.49Å; Q473-V475 VanDerWaalsContact C-N 3.31Å; Q473-V475 PolarHBondContact O-N 2.82Å; V475-I477 VanDerWaalsContact C-N 3.34Å; V475-I477 PolarHBondContact O-N 3.13Å; V475-V478 PolarHBondContact O-N 3.5Å; V475-I479 HydrophobicContact CG1-CD1 4.07Å; V475-I479 WeakPolarHBondContact O-CG1 3.39Å; V475-I479 PolarHBondContact O-N 2.98Å
476	A	62.9	Low	66.9	Low	48 Å²	48	106.3 Å²	106.3	40%	0.397	56%	0.556	S	S	.	*	H	α-helix	trans	-64.6	-35.6	175	0	0	0	0	0	112.7	H472 Q473 I479 C480	H472-A476 PolarHBondContact O-N 3.37Å; H472-A476 VanDerWaalsContact O-N 3.11Å; Q473-A476 PolarHBondContact O-N 3.4Å; A476-I479 PolarHBondContact O-N 2.85Å; A476-C480 VanDerWaalsContact O-CB 3.24Å; A476-C480 WeakPolarHBondContact O-CB 3.3Å; A476-C480 PolarHBondContact O-N 2.85Å
477	I	68.3	Low	68.1	Low	87 Å²	87	105.5 Å²	105.5	45%	0.446	54%	0.543	S	S	.	.	H	α-helix	trans	-64.9	-40.2	175.6	-72	161.9	0	0	0	110.8	Q473 V475 C480 F481	Q473-I477 WeakPolarHBondContact O-CB 3.46Å; Q473-I477 WeakPolarHBondContact O-CD1 3.1Å; Q473-I477 WeakPolarHBondContact O-CG1 3.18Å; Q473-I477 PolarHBondContact O-N 2.79Å; V475-I477 VanDerWaalsContact C-N 3.34Å; V475-I477 PolarHBondContact O-N 3.13Å; I477-C480 PolarHBondContact O-N 3.34Å; I477-F481 HydrophobicContact CG2-CD2 4.38Å; I477-F481 WeakPolarHBondContact O-CB 3.41Å; I477-F481 PolarHBondContact O-N 2.92Å
478	V	74.4	Confident	69.1	Low	93 Å²	93	97.4 Å²	97.4	56%	0.564	52%	0.52	S	S	*	.	H	α-helix	trans	-67.1	-41.8	176.2	174.9	0	0	0	0	111.1	M474 V475 F481 V482	M474-V478 WeakPolarHBondContact O-CG2 3.37Å; M474-V478 PolarHBondContact O-N 3.43Å; V475-V478 PolarHBondContact O-N 3.5Å; V478-F481 PolarHBondContact O-N 3.14Å; V478-V482 WeakPolarHBondContact O-CG2 3.45Å; V478-V482 PolarHBondContact O-N 3.38Å
479	I	78.2	Confident	70.6	Confident	111 Å²	111	97.9 Å²	97.9	57%	0.569	52%	0.518	S	S	*	.	H	α-helix	trans	-66.4	-41.6	175.8	-65.5	169.4	0	0	0	110.9	V475 A476 F481 V482 F483	V475-I479 HydrophobicContact CG1-CD1 4.07Å; V475-I479 WeakPolarHBondContact O-CG1 3.39Å; V475-I479 PolarHBondContact O-N 2.98Å; A476-I479 PolarHBondContact O-N 2.85Å; I479-F481 VanDerWaalsContact C-N 3.32Å; I479-F481 PolarHBondContact O-N 3.47Å; I479-V482 PolarHBondContact O-N 2.98Å; I479-F483 WeakPolarHBondContact O-CB 3.42Å; I479-F483 PolarHBondContact O-N 3.07Å
480	C	72.5	Confident	72	Confident	72 Å²	72	96.4 Å²	96.4	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-63	-37.2	172.8	-86.4	0	0	0	0	111.7	A476 I477 F483 I484	A476-C480 VanDerWaalsContact O-CB 3.24Å; A476-C480 WeakPolarHBondContact O-CB 3.3Å; A476-C480 PolarHBondContact O-N 2.85Å; I477-C480 PolarHBondContact O-N 3.34Å; C480-F483 PolarHBondContact O-N 2.83Å; C480-I484 VanDerWaalsContact O-CB 3.29Å; C480-I484 WeakPolarHBondContact O-CB 3.33Å; C480-I484 WeakPolarHBondContact O-CD1 3.48Å; C480-I484 WeakPolarHBondContact O-CG1 3.28Å; C480-I484 PolarHBondContact O-N 2.76Å
481	F	75.3	Confident	72.8	Confident	132 Å²	132	95.4 Å²	95.4	58%	0.579	51%	0.508	S	S	*	.	H	α-helix	trans	-64.5	-43.3	175.6	-119.5	-87.7	0	0	0	111.6	I477 V478 I479 I484 I485	I477-F481 HydrophobicContact CG2-CD2 4.38Å; I477-F481 WeakPolarHBondContact O-CB 3.41Å; I477-F481 PolarHBondContact O-N 2.92Å; V478-F481 PolarHBondContact O-N 3.14Å; I479-F481 VanDerWaalsContact C-N 3.32Å; I479-F481 PolarHBondContact O-N 3.47Å; F481-I484 PolarHBondContact O-N 3.34Å; F481-I485 VanDerWaalsContact O-CG1 3.25Å; F481-I485 WeakPolarHBondContact O-CG1 3.15Å; F481-I485 PolarHBondContact O-N 2.94Å
482	V	80.4	Confident	74	Confident	80 Å²	80	94.9 Å²	94.9	49%	0.485	50%	0.502	S	S	.	.	H	α-helix	trans	-64.9	-41	175.2	175.4	0	0	0	0	110.8	V478 I479 I485 I486	V478-V482 WeakPolarHBondContact O-CG2 3.45Å; V478-V482 PolarHBondContact O-N 3.38Å; I479-V482 PolarHBondContact O-N 2.98Å; V482-I485 PolarHBondContact O-N 3.07Å; V482-I486 HydrophobicContact CG1-CD1 4.12Å; V482-I486 WeakPolarHBondContact O-CG1 3.09Å; V482-I486 PolarHBondContact O-N 3.35Å
483	F	79.9	Confident	75	Confident	131 Å²	131	91.8 Å²	91.8	58%	0.575	49%	0.49	S	S	*	.	H	α-helix	trans	-65.3	-41.4	175.5	-170.9	-102	0	0	0	112.1	I479 C480 I485 I486 V487	I479-F483 WeakPolarHBondContact O-CB 3.42Å; I479-F483 PolarHBondContact O-N 3.07Å; C480-F483 PolarHBondContact O-N 2.83Å; F483-I485 VanDerWaalsContact C-N 3.32Å; F483-I485 PolarHBondContact O-N 3.11Å; F483-I486 PolarHBondContact O-N 2.85Å; F483-V487 HydrophobicContact CD1-CG2 3.8Å; F483-V487 HydrophobicContact CE1-CG2 3.48Å; F483-V487 VanDerWaalsContact CE1-CG2 3.48Å; F483-V487 HydrophobicContact CE2-CG2 4.39Å; F483-V487 HydrophobicContact CG-CG2 4.39Å; F483-V487 HydrophobicContact CZ-CG2 3.81Å; F483-V487 WeakPolarHBondContact O-CB 3.48Å; F483-V487 VanDerWaalsContact O-CG2 3.28Å; F483-V487 WeakPolarHBondContact O-CG2 3.49Å; F483-V487 PolarHBondContact O-N 3.46Å
484	I	78.6	Confident	75.9	Confident	91 Å²	91	94.5 Å²	94.5	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-63.9	-38	175	-71.4	164	0	0	0	110.3	C480 F481 V487 T488	C480-I484 VanDerWaalsContact O-CB 3.29Å; C480-I484 WeakPolarHBondContact O-CB 3.33Å; C480-I484 WeakPolarHBondContact O-CD1 3.48Å; C480-I484 WeakPolarHBondContact O-CG1 3.28Å; C480-I484 PolarHBondContact O-N 2.76Å; F481-I484 PolarHBondContact O-N 3.34Å; I484-V487 PolarHBondContact O-N 3.23Å; I484-T488 HydrophobicContact CG2-CG2 4.12Å; I484-T488 VanDerWaalsContact O-CB 3.28Å; I484-T488 WeakPolarHBondContact O-CB 3.48Å; I484-T488 WeakPolarHBondContact O-CG2 3.47Å; I484-T488 PolarHBondContact O-N 3.41Å; I484-T488 PolarHBondContact O-OG1 3.46Å
485	I	80.6	Confident	76.9	Confident	88 Å²	88	97.1 Å²	97.1	45%	0.451	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-43.2	174	-69.6	165	0	0	0	110.7	F481 V482 F483 T488 I489	F481-I485 VanDerWaalsContact O-CG1 3.25Å; F481-I485 WeakPolarHBondContact O-CG1 3.15Å; F481-I485 PolarHBondContact O-N 2.94Å; V482-I485 PolarHBondContact O-N 3.07Å; F483-I485 VanDerWaalsContact C-N 3.32Å; F483-I485 PolarHBondContact O-N 3.11Å; I485-T488 VanDerWaalsContact CA-OG1 3.31Å; I485-T488 WeakPolarHBondContact CA-OG1 3.4Å; I485-T488 PolarHBondContact O-N 2.89Å; I485-T488 PolarHBondContact O-OG1 2.96Å; I485-I489 HydrophobicContact CG2-CD1 3.87Å; I485-I489 WeakPolarHBondContact O-CB 3.33Å; I485-I489 WeakPolarHBondContact O-CD1 3.48Å; I485-I489 WeakPolarHBondContact O-CG1 3.34Å; I485-I489 PolarHBondContact O-N 2.84Å
486	I	83.5	Confident	77.3	Confident	93 Å²	93	99.3 Å²	99.3	48%	0.477	50%	0.503	S	S	.	.	H	α-helix	trans	-66.1	-44.5	177.3	-66.6	166.2	0	0	0	110.8	V482 F483 I489 T490	V482-I486 HydrophobicContact CG1-CD1 4.12Å; V482-I486 WeakPolarHBondContact O-CG1 3.09Å; V482-I486 PolarHBondContact O-N 3.35Å; F483-I486 PolarHBondContact O-N 2.85Å; I486-I489 PolarHBondContact O-N 3.5Å; I486-T490 WeakPolarHBondContact O-CB 3.25Å; I486-T490 PolarHBondContact O-N 3.28Å; I486-T490 PolarHBondContact O-OG1 2.96Å
487	V	80.6	Confident	77.8	Confident	60 Å²	60	101.3 Å²	101.3	36%	0.364	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-42.6	177.5	170.2	0	0	0	0	110.6	F483 I484 T490 V491	F483-V487 HydrophobicContact CD1-CG2 3.8Å; F483-V487 HydrophobicContact CE1-CG2 3.48Å; F483-V487 VanDerWaalsContact CE1-CG2 3.48Å; F483-V487 HydrophobicContact CE2-CG2 4.39Å; F483-V487 HydrophobicContact CG-CG2 4.39Å; F483-V487 HydrophobicContact CZ-CG2 3.81Å; F483-V487 WeakPolarHBondContact O-CB 3.48Å; F483-V487 VanDerWaalsContact O-CG2 3.28Å; F483-V487 WeakPolarHBondContact O-CG2 3.49Å; F483-V487 PolarHBondContact O-N 3.46Å; I484-V487 PolarHBondContact O-N 3.23Å; V487-T490 CarbonylContact O-C 3.52Å; V487-T490 PolarHBondContact O-N 2.93Å; V487-V491 HydrophobicContact CG1-CG2 4.09Å; V487-V491 VanDerWaalsContact O-CB 3.31Å; V487-V491 WeakPolarHBondContact O-CB 3.27Å; V487-V491 WeakPolarHBondContact O-CG2 3.49Å; V487-V491 PolarHBondContact O-N 3.32Å
488	T	78.9	Confident	78	Confident	64 Å²	64	102.1 Å²	102.1	39%	0.393	51%	0.507	S	S	.	.	H	α-helix	trans	-65.5	-40.6	177.4	50.7	0	0	0	0	111.5	I484 I485 T490 V491 F492	I484-T488 HydrophobicContact CG2-CG2 4.12Å; I484-T488 VanDerWaalsContact O-CB 3.28Å; I484-T488 WeakPolarHBondContact O-CB 3.48Å; I484-T488 WeakPolarHBondContact O-CG2 3.47Å; I484-T488 PolarHBondContact O-N 3.41Å; I484-T488 PolarHBondContact O-OG1 3.46Å; I485-T488 VanDerWaalsContact CA-OG1 3.31Å; I485-T488 WeakPolarHBondContact CA-OG1 3.4Å; I485-T488 PolarHBondContact O-N 2.89Å; I485-T488 PolarHBondContact O-OG1 2.96Å; T488-T490 VanDerWaalsContact C-N 3.34Å; T488-V491 PolarHBondContact O-N 2.84Å; T488-F492 WeakPolarHBondContact O-CB 3.43Å; T488-F492 WeakPolarHBondContact O-CD2 3.35Å; T488-F492 PolarHBondContact O-N 3.44Å
489	I	81.5	Confident	77.5	Confident	93 Å²	93	101.1 Å²	101.1	48%	0.477	50%	0.498	S	S	.	.	H	α-helix	trans	-61.6	-43.9	172.1	-68.4	166.6	0	0	0	110.5	I485 I486 F492 I493	I485-I489 HydrophobicContact CG2-CD1 3.87Å; I485-I489 WeakPolarHBondContact O-CB 3.33Å; I485-I489 WeakPolarHBondContact O-CD1 3.48Å; I485-I489 WeakPolarHBondContact O-CG1 3.34Å; I485-I489 PolarHBondContact O-N 2.84Å; I486-I489 PolarHBondContact O-N 3.5Å; I489-F492 WeakPolarHBondContact O-CB 3.28Å; I489-F492 PolarHBondContact O-N 3.41Å; I489-I493 HydrophobicContact CG2-CD1 3.88Å; I489-I493 HydrophobicContact CG2-CG1 4.5Å; I489-I493 VanDerWaalsContact O-CG1 3.29Å; I489-I493 WeakPolarHBondContact O-CG1 3.49Å; I489-I493 PolarHBondContact O-N 2.98Å
490	T	81.2	Confident	76.9	Confident	80 Å²	80	100.1 Å²	100.1	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-66.4	-39.5	179.1	-50.2	0	0	0	0	111.5	I486 V487 T488 I493 Y494	I486-T490 WeakPolarHBondContact O-CB 3.25Å; I486-T490 PolarHBondContact O-N 3.28Å; I486-T490 PolarHBondContact O-OG1 2.96Å; V487-T490 CarbonylContact O-C 3.52Å; V487-T490 PolarHBondContact O-N 2.93Å; T488-T490 VanDerWaalsContact C-N 3.34Å; T490-I493 PolarHBondContact O-N 3.18Å; T490-Y494 VanDerWaalsContact O-CB 3.22Å; T490-Y494 WeakPolarHBondContact O-CB 3.37Å; T490-Y494 PolarHBondContact O-N 3.35Å
491	V	81	Confident	76.6	Confident	66 Å²	66	102.2 Å²	102.2	40%	0.4	50%	0.497	S	S	.	.	H	α-helix	trans	-67.4	-36.1	173.4	168.6	0	0	0	0	110.8	V487 T488 Y494 R495	V487-V491 HydrophobicContact CG1-CG2 4.09Å; V487-V491 VanDerWaalsContact O-CB 3.31Å; V487-V491 WeakPolarHBondContact O-CB 3.27Å; V487-V491 WeakPolarHBondContact O-CG2 3.49Å; V487-V491 PolarHBondContact O-N 3.32Å; T488-V491 PolarHBondContact O-N 2.84Å; V491-Y494 PolarHBondContact O-N 3.5Å; V491-R495 HydrophobicContact CG1-CG 4.31Å; V491-R495 WeakPolarHBondContact O-CB 3.45Å; V491-R495 VanDerWaalsContact O-CG 3.3Å; V491-R495 WeakPolarHBondContact O-CG 3.46Å; V491-R495 PolarHBondContact O-N 2.93Å
492	F	79.1	Confident	76	Confident	150 Å²	150	99.2 Å²	99.2	66%	0.658	49%	0.485	S	S	*	.	H	α-helix	trans	-66.9	-42.9	173.8	-103.4	-82.9	0	0	0	111.6	T488 I489 R495 K496	T488-F492 WeakPolarHBondContact O-CB 3.43Å; T488-F492 WeakPolarHBondContact O-CD2 3.35Å; T488-F492 PolarHBondContact O-N 3.44Å; I489-F492 WeakPolarHBondContact O-CB 3.28Å; I489-F492 PolarHBondContact O-N 3.41Å; F492-R495 PolarHBondContact O-N 3.21Å; F492-K496 VanDerWaalsContact O-CB 3.27Å; F492-K496 WeakPolarHBondContact O-CB 3.38Å; F492-K496 PolarHBondContact O-N 3.23Å
493	I	78.3	Confident	75.1	Confident	95 Å²	95	96.9 Å²	96.9	49%	0.487	47%	0.47	S	S	.	.	H	α-helix	trans	-63.9	-46	174.1	-67.3	167.3	0	0	0	109.9	I489 T490 K496 L497	I489-I493 HydrophobicContact CG2-CD1 3.88Å; I489-I493 HydrophobicContact CG2-CG1 4.5Å; I489-I493 VanDerWaalsContact O-CG1 3.29Å; I489-I493 WeakPolarHBondContact O-CG1 3.49Å; I489-I493 PolarHBondContact O-N 2.98Å; T490-I493 PolarHBondContact O-N 3.18Å; I493-K496 WeakPolarHBondContact O-CB 3.18Å; I493-K496 PolarHBondContact O-N 2.75Å; I493-L497 HydrophobicContact CG2-CD1 3.93Å; I493-L497 HydrophobicContact CG2-CG 4.41Å; I493-L497 WeakPolarHBondContact O-CB 3.07Å; I493-L497 VanDerWaalsContact O-CG 3.3Å; I493-L497 WeakPolarHBondContact O-CG 3.48Å; I493-L497 PolarHBondContact O-N 2.78Å
494	Y	77.6	Confident	74.2	Confident	145 Å²	145	96.1 Å²	96.1	57%	0.569	48%	0.476	S	S	*	.	H	α-helix	trans	-63.7	-42.9	177.1	179.5	-103.2	0	0	0	112.3	T490 V491 K496 L497 K498	T490-Y494 VanDerWaalsContact O-CB 3.22Å; T490-Y494 WeakPolarHBondContact O-CB 3.37Å; T490-Y494 PolarHBondContact O-N 3.35Å; V491-Y494 PolarHBondContact O-N 3.5Å; Y494-K496 VanDerWaalsContact C-N 3.32Å; Y494-K496 PolarHBondContact O-N 2.93Å; Y494-L497 PolarHBondContact O-N 2.93Å; Y494-K498 HydrophobicContact CE1-CD 4.33Å; Y494-K498 VanDerWaalsContact O-CB 3.24Å; Y494-K498 WeakPolarHBondContact O-CB 3.32Å; Y494-K498 PolarHBondContact O-N 3.06Å
495	R	75.8	Confident	73.5	Confident	172 Å²	172	94.3 Å²	94.3	65%	0.649	47%	0.474	S	S	*	.	H	α-helix	trans	-61.7	-41.4	173.5	-84.7	-175.3	163.9	-164.4	-4	110.8	V491 F492 K498 L499	V491-R495 HydrophobicContact CG1-CG 4.31Å; V491-R495 WeakPolarHBondContact O-CB 3.45Å; V491-R495 VanDerWaalsContact O-CG 3.3Å; V491-R495 WeakPolarHBondContact O-CG 3.46Å; V491-R495 PolarHBondContact O-N 2.93Å; F492-R495 PolarHBondContact O-N 3.21Å; R495-K498 PolarHBondContact O-N 3.4Å; R495-L499 WeakPolarHBondContact O-CB 3.48Å; R495-L499 PolarHBondContact O-N 2.94Å
496	K	76	Confident	73	Confident	135 Å²	135	93.2 Å²	93.2	59%	0.587	47%	0.467	S	S	*	.	H	α-helix	trans	-63	-46.4	175.9	-173.2	-177.3	175.3	-172.1	0	111.2	F492 I493 Y494 L499 E500	F492-K496 VanDerWaalsContact O-CB 3.27Å; F492-K496 WeakPolarHBondContact O-CB 3.38Å; F492-K496 PolarHBondContact O-N 3.23Å; I493-K496 WeakPolarHBondContact O-CB 3.18Å; I493-K496 PolarHBondContact O-N 2.75Å; Y494-K496 VanDerWaalsContact C-N 3.32Å; Y494-K496 PolarHBondContact O-N 2.93Å; K496-L499 PolarHBondContact O-N 3.5Å; K496-E500 WeakPolarHBondContact O-CG 3.29Å; K496-E500 PolarHBondContact O-N 3.4Å
497	L	72.1	Confident	72.4	Confident	89 Å²	89	94.5 Å²	94.5	47%	0.466	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-41.6	176.7	-70.8	170.7	0	0	0	112.2	I493 Y494 E500 N501	I493-L497 HydrophobicContact CG2-CD1 3.93Å; I493-L497 HydrophobicContact CG2-CG 4.41Å; I493-L497 WeakPolarHBondContact O-CB 3.07Å; I493-L497 VanDerWaalsContact O-CG 3.3Å; I493-L497 WeakPolarHBondContact O-CG 3.48Å; I493-L497 PolarHBondContact O-N 2.78Å; Y494-L497 PolarHBondContact O-N 2.93Å; L497-E500 PolarHBondContact O-N 3.15Å; L497-N501 WeakPolarHBondContact O-CB 3.22Å; L497-N501 VanDerWaalsContact O-CG 3.29Å; L497-N501 PolarHBondContact O-N 3.38Å
498	K	72.9	Confident	72.2	Confident	105 Å²	105	92.1 Å²	92.1	46%	0.457	46%	0.459	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.5	-174.5	176.6	179	-177.9	0	111.3	Y494 R495 E500 N501 E502	Y494-K498 HydrophobicContact CE1-CD 4.33Å; Y494-K498 VanDerWaalsContact O-CB 3.24Å; Y494-K498 WeakPolarHBondContact O-CB 3.32Å; Y494-K498 PolarHBondContact O-N 3.06Å; R495-K498 PolarHBondContact O-N 3.4Å; K498-E500 VanDerWaalsContact C-N 3.33Å; K498-E500 PolarHBondContact O-N 2.78Å; K498-N501 PolarHBondContact O-N 3.03Å; K498-E502 VanDerWaalsContact CE-OE1 3.25Å; K498-E502 WeakPolarHBondContact CE-OE1 3.24Å; K498-E502 WeakPolarHBondContact O-CB 3.31Å; K498-E502 WeakPolarHBondContact O-CG 3.08Å; K498-E502 PolarHBondContact O-N 3.11Å
499	L	63.8	Low	72.4	Confident	72 Å²	72	94.9 Å²	94.9	38%	0.377	46%	0.462	S	S	.	.	H	α-helix	trans	-63.8	-39.7	176.4	-160.2	92.6	0	0	0	111.4	R495 K496 E502 L503 F582	R495-L499 WeakPolarHBondContact O-CB 3.48Å; R495-L499 PolarHBondContact O-N 2.94Å; K496-L499 PolarHBondContact O-N 3.5Å; L499-E502 PolarHBondContact O-N 3Å; L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.22Å; L499-L503 PolarHBondContact O-N 3.45Å; L499-L503 VanDerWaalsContact O-N 3.08Å; L499-F582 HydrophobicContact CD2-CE1 4.19Å; L499-F582 HydrophobicContact CD2-CZ 4.26Å
500	E	66.5	Low	72.4	Confident	90 Å²	90	90.6 Å²	90.6	42%	0.421	44%	0.44	S	S	.	.	H	α-helix	trans	-65.1	-44.8	174	-77.9	179.3	-179.1	0	0	111.5	K496 L497 K498 E502 L503 V504	K496-E500 WeakPolarHBondContact O-CG 3.29Å; K496-E500 PolarHBondContact O-N 3.4Å; L497-E500 PolarHBondContact O-N 3.15Å; K498-E500 VanDerWaalsContact C-N 3.33Å; K498-E500 PolarHBondContact O-N 2.78Å; E500-E502 VanDerWaalsContact C-N 3.35Å; E500-E502 PolarHBondContact O-N 3Å; E500-L503 PolarHBondContact O-N 2.97Å; E500-V504 WeakPolarHBondContact O-CG2 3.47Å; E500-V504 PolarHBondContact O-N 2.95Å
501	N	66.1	Low	72.4	Confident	115 Å²	115	88.7 Å²	88.7	62%	0.615	43%	0.43	S	S	*	.	H	α-helix	trans	-60.6	-41.1	175.1	-73.3	-15.7	0	0	0	112.4	L497 K498 V504 A505	L497-N501 WeakPolarHBondContact O-CB 3.22Å; L497-N501 VanDerWaalsContact O-CG 3.29Å; L497-N501 PolarHBondContact O-N 3.38Å; K498-N501 PolarHBondContact O-N 3.03Å; N501-V504 PolarHBondContact O-N 3.02Å; N501-A505 PolarHBondContact O-N 3.17Å
502	E	62.8	Low	72.3	Confident	69 Å²	69	88.4 Å²	88.4	32%	0.322	42%	0.422	S	S	.	.	H	α-helix	trans	-68.6	-32.7	177.5	-75.5	173.5	-172.2	0	0	113.3	K498 L499 E500 K585	K498-E502 VanDerWaalsContact CE-OE1 3.25Å; K498-E502 WeakPolarHBondContact CE-OE1 3.24Å; K498-E502 WeakPolarHBondContact O-CB 3.31Å; K498-E502 WeakPolarHBondContact O-CG 3.08Å; K498-E502 PolarHBondContact O-N 3.11Å; L499-E502 PolarHBondContact O-N 3Å; E500-E502 VanDerWaalsContact C-N 3.35Å; E500-E502 PolarHBondContact O-N 3Å; E502-K585 IonicContact OE2-NZ 3.24Å; E502-K585 PolarHBondContact OE2-NZ 3.46Å
503	L	60.2	Low	72.2	Confident	31 Å²	31	88.1 Å²	88.1	16%	0.162	43%	0.427	C	S	.	.	H	α-helix	trans	-69.7	-36.3	173.9	-74	168.9	0	0	0	111.6	L499 E500 A505 F582 K585	L499-L503 VanDerWaalsContact O-CG 3.31Å; L499-L503 WeakPolarHBondContact O-CG 3.22Å; L499-L503 PolarHBondContact O-N 3.45Å; L499-L503 VanDerWaalsContact O-N 3.08Å; E500-L503 PolarHBondContact O-N 2.97Å; L503-A505 VanDerWaalsContact C-N 3.34Å; L503-F582 HydrophobicContact CD1-CE1 4.19Å; L503-F582 HydrophobicContact CD1-CE2 4.16Å; L503-F582 HydrophobicContact CD1-CZ 3.77Å; L503-K585 HydrophobicContact CD2-CB 4.48Å; L503-K585 HydrophobicContact CD2-CD 3.97Å
504	V	60.8	Low	72.3	Confident	116 Å²	116	87.4 Å²	87.4	70%	0.703	43%	0.425	S	S	*	.	H	α-helix	trans	-69.5	-31.9	175.9	173.8	0	0	0	0	111.6	E500 N501 Q506	E500-V504 WeakPolarHBondContact O-CG2 3.47Å; E500-V504 PolarHBondContact O-N 2.95Å; N501-V504 PolarHBondContact O-N 3.02Å; V504-Q506 PolarHBondContact O-N 3.49Å; V504-Q506 VanDerWaalsContact O-N 3.12Å
505	A	63.7	Low	72.3	Confident	52 Å²	52	81 Å²	81	43%	0.43	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10.8	-177.2	0	0	0	0	0	115.1	N501 L503 L507	N501-A505 PolarHBondContact O-N 3.17Å; L503-A505 VanDerWaalsContact C-N 3.34Å; A505-L507 HydrophobicContact CB-CD1 4.24Å; A505-L507 HydrophobicContact CB-CG 3.95Å; A505-L507 PolarHBondContact O-N 3.43Å
506	Q	70	Confident	72.3	Confident	66 Å²	66	79.7 Å²	79.7	31%	0.308	40%	0.401	S	S	.	.			trans	43.6	32.6	173	-67.7	-172.3	-7.7	0	0	115.7	V504 W508 R509	V504-Q506 PolarHBondContact O-N 3.49Å; V504-Q506 VanDerWaalsContact O-N 3.12Å; Q506-W508 HydrophobicContact CG-CZ2 4.32Å; Q506-W508 PolarHBondContact O-N 2.78Å; Q506-R509 HydrophobicContact CB-CB 4.45Å; Q506-R509 VanDerWaalsContact O-CB 3.22Å; Q506-R509 WeakPolarHBondContact O-CB 3.33Å; Q506-R509 PolarHBondContact O-N 3.32Å
507	L	70.9	Confident	72	Confident	120 Å²	120	76 Å²	76	63%	0.628	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-2	-171.9	-70.1	171	0	0	0	115	A505	A505-L507 HydrophobicContact CB-CD1 4.24Å; A505-L507 HydrophobicContact CB-CG 3.95Å; A505-L507 PolarHBondContact O-N 3.43Å
508	W	77.8	Confident	71.3	Confident	9 Å²	9	75.4 Å²	75.4	3%	0.034	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-12.9	170.7	52.7	-98.8	0	0	0	112.7	Q506 L576 L581 L584 F598 G600 A601 L603	Q506-W508 HydrophobicContact CG-CZ2 4.32Å; Q506-W508 PolarHBondContact O-N 2.78Å; W508-L576 HydrophobicContact CH2-CD1 4.45Å; W508-L576 HydrophobicContact CH2-CD2 4.02Å; W508-L576 HydrophobicContact CZ2-CD2 4.41Å; W508-L581 HydrophobicContact CH2-CD2 4.44Å; W508-L581 HydrophobicContact CZ2-CD2 3.48Å; W508-L581 VanDerWaalsContact CZ2-CD2 3.48Å; W508-L584 HydrophobicContact CD2-CB 4.16Å; W508-L584 HydrophobicContact CD2-CD1 4.01Å; W508-L584 HydrophobicContact CE3-CD1 3.91Å; W508-L584 HydrophobicContact CE3-CD2 4.4Å; W508-L584 HydrophobicContact CG-CB 4.17Å; W508-L584 HydrophobicContact CH2-CD1 3.87Å; W508-L584 HydrophobicContact CZ2-CD1 3.94Å; W508-L584 HydrophobicContact CZ3-CD1 3.84Å; W508-F598 HydrophobicContact CB-CE1 4.29Å; W508-G600 CarbonylContact O-C 3.59Å; W508-G600 WeakPolarHBondContact O-CA 3.02Å; W508-A601 HydrophobicContact CE3-CB 4.32Å; W508-A601 PolarHBondContact O-N 2.8Å; W508-L603 HydrophobicContact CH2-CD1 3.61Å; W508-L603 HydrophobicContact CZ3-CD1 3.59Å; W508-L603 HydrophobicContact CZ3-CG 4.18Å
509	R	81.9	Confident	70.1	Confident	123 Å²	123	75.9 Å²	75.9	46%	0.464	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-76.6	127.4	-175.4	-173	176	-178.2	176.8	-0.8	109.5	Q506 D604	Q506-R509 HydrophobicContact CB-CB 4.45Å; Q506-R509 VanDerWaalsContact O-CB 3.22Å; Q506-R509 WeakPolarHBondContact O-CB 3.33Å; Q506-R509 PolarHBondContact O-N 3.32Å; R509-D604 IonicContact CZ-OD1 2.83Å; R509-D604 IonicContact NE-OD1 2.61Å; R509-D604 IonicContact NH2-OD1 2.87Å; R509-D604 PolarHBondContact NH2-OD1 2.81Å
510	V	83.2	Confident	69.2	Low	2 Å²	2	76.9 Å²	76.9	1%	0.012	40%	0.4	C	S	.	.			trans	-112.2	130.8	175.4	176	0	0	0	0	108.5	I515 Y559 A601 C602 I611	V510-I515 HydrophobicContact CG1-CD1 4.12Å; V510-I515 HydrophobicContact CG1-CG1 3.96Å; V510-Y559 HydrophobicContact CB-CE2 4.38Å; V510-Y559 HydrophobicContact CG1-CD2 3.8Å; V510-Y559 HydrophobicContact CG1-CE2 3.41Å; V510-Y559 VanDerWaalsContact CG1-CE2 3.41Å; V510-Y559 HydrophobicContact CG2-CE1 4.49Å; V510-Y559 HydrophobicContact CG2-CE2 4.13Å; V510-A601 PolarHBondContact N-O 2.67Å; V510-A601 VanDerWaalsContact N-O 3.07Å; V510-C602 WeakPolarHBondContact O-CA 3.41Å; V510-C602 WeakPolarHBondContact O-CB 3.25Å; V510-C602 PolarHBondContact O-SG 2.63Å; V510-I611 HydrophobicContact CB-CD1 3.92Å; V510-I611 HydrophobicContact CG1-CD1 3.63Å; V510-I611 HydrophobicContact CG2-CD1 4.14Å
511	S	79.9	Confident	67.9	Low	41 Å²	41	80 Å²	80	29%	0.287	41%	0.414	S	S	.	.			trans	-73.2	141.5	171.7	-179.3	0	0	0	0	109.7	D513 D514	S511-D513 PolarHBondContact O-N 2.76Å; S511-D513 PolarHBondContact OG-N 3.18Å; S511-D514 PolarHBondContact O-N 3.08Å
512	W	78.8	Confident	66.5	Low	59 Å²	59	82.6 Å²	82.6	22%	0.223	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-58.7	-32.8	173.5	-176.2	-101.7	0	0	0	112.6	D514 I515 M517 Y568 N607	W512-D514 PolarHBondContact O-N 2.79Å; W512-I515 HydrophobicContact CE3-CD1 3.93Å; W512-I515 HydrophobicContact CZ3-CD1 4.3Å; W512-I515 PolarHBondContact O-N 2.77Å; W512-I515 VanDerWaalsContact O-N 3.12Å; W512-M517 HydrophobicContact CH2-CE 3.33Å; W512-M517 HydrophobicContact CH2-SD 4.44Å; W512-M517 HydrophobicContact CZ2-CE 3.9Å; W512-M517 HydrophobicContact CZ2-CG 4.43Å; W512-M517 HydrophobicContact CZ3-CE 3.78Å; W512-Y568 AromaticContact CH2-CE1 3.96Å; W512-Y568 HydrophobicContact CH2-CE1 3.96Å; W512-Y568 HydrophobicContact CZ3-CE1 4.27Å; W512-N607 HydrophobicContact CD2-CB 3.63Å; W512-N607 VanDerWaalsContact CE2-ND2 3.33Å; W512-N607 HydrophobicContact CE3-CB 3.55Å; W512-N607 HydrophobicContact CG-CB 4.34Å; W512-N607 HydrophobicContact CH2-CB 3.83Å; W512-N607 HydrophobicContact CZ2-CB 3.92Å; W512-N607 HydrophobicContact CZ3-CB 3.67Å; W512-N607 PolarHBondContact NE1-ND2 3.36Å
513	D	77.8	Confident	65.3	Low	144 Å²	144	83 Å²	83	77%	0.77	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-66.8	-24.2	-178.9	-63	-34.4	0	0	0	113.1	S511 I515	S511-D513 PolarHBondContact O-N 2.76Å; S511-D513 PolarHBondContact OG-N 3.18Å; D513-I515 PolarHBondContact O-N 2.89Å
514	D	79.3	Confident	64.3	Low	81 Å²	81	87 Å²	87	43%	0.433	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-78.3	-8.3	177.6	-64.6	-30.6	0	0	0	112.6	S511 W512 Y559	S511-D514 PolarHBondContact O-N 3.08Å; W512-D514 PolarHBondContact O-N 2.79Å; D514-Y559 HydrophobicContact CB-CD2 4.04Å; D514-Y559 HydrophobicContact CB-CE2 3.8Å
515	I	77.8	Confident	63.2	Low	11 Å²	11	92.6 Å²	92.6	6%	0.056	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	107.7	-176.2	-44.5	172.4	0	0	0	109.4	V510 W512 D513 M517 I566 C602 I611	V510-I515 HydrophobicContact CG1-CD1 4.12Å; V510-I515 HydrophobicContact CG1-CG1 3.96Å; W512-I515 HydrophobicContact CE3-CD1 3.93Å; W512-I515 HydrophobicContact CZ3-CD1 4.3Å; W512-I515 PolarHBondContact O-N 2.77Å; W512-I515 VanDerWaalsContact O-N 3.12Å; D513-I515 PolarHBondContact O-N 2.89Å; I515-M517 HydrophobicContact CB-CE 4.33Å; I515-M517 HydrophobicContact CG2-CE 3.57Å; I515-M517 PolarHBondContact O-N 3.3Å; I515-I566 HydrophobicContact CG2-CD1 3.58Å; I515-C602 HydrophobicContact CD1-CB 4.43Å; I515-I611 HydrophobicContact CD1-CD1 3.52Å; I515-I611 HydrophobicContact CD1-CG1 4.46Å; I515-I611 HydrophobicContact CG1-CD1 4.09Å
516	Q	75.7	Confident	62	Low	143 Å²	143	101.1 Å²	101.1	67%	0.668	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	105.3	174.9	-63.3	-178.5	7.4	0	0	109.7	Y558	Q516-Y558 PolarHBondContact N-O 3.4Å; Q516-Y558 PolarHBondContact O-N 2.92Å
517	M	69.2	Low	60.1	Low	58 Å²	58	103.4 Å²	103.4	29%	0.286	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	135.7	172	-65.2	-72.4	150.1	0	0	110	W512 I515 N519 I566	W512-M517 HydrophobicContact CH2-CE 3.33Å; W512-M517 HydrophobicContact CH2-SD 4.44Å; W512-M517 HydrophobicContact CZ2-CE 3.9Å; W512-M517 HydrophobicContact CZ2-CG 4.43Å; W512-M517 HydrophobicContact CZ3-CE 3.78Å; I515-M517 HydrophobicContact CB-CE 4.33Å; I515-M517 HydrophobicContact CG2-CE 3.57Å; I515-M517 PolarHBondContact O-N 3.3Å; M517-N519 VanDerWaalsContact C-N 3.34Å; M517-N519 PolarHBondContact O-N 2.92Å; M517-I566 HydrophobicContact CE-CD1 3.28Å; M517-I566 HydrophobicContact CE-CG2 4.46Å; M517-I566 HydrophobicContact SD-CD1 4.04Å
518	T	58.9	Low	58.5	Low	77 Å²	77	103.5 Å²	103.5	47%	0.472	51%	0.509	S	S	.	.			trans	-65	91.9	169.3	29.3	0	0	0	0	109.7	L520 Y558	T518-L520 VanDerWaalsContact C-N 3.27Å; T518-L520 PolarHBondContact O-N 2.86Å; T518-Y558 HydrophobicContact CG2-CD2 4.26Å; T518-Y558 HydrophobicContact CG2-CE2 3.89Å
519	N	46.3	Very low	56.6	Low	115 Å²	115	108 Å²	108	62%	0.615	54%	0.542	S	S	*	.			trans	-72.3	75.9	176.7	-90.6	-31.7	0	0	0	111.4	M517 E521	M517-N519 VanDerWaalsContact C-N 3.34Å; M517-N519 PolarHBondContact O-N 2.92Å; N519-E521 PolarHBondContact O-N 3.06Å
520	L	45.3	Very low	54.4	Low	93 Å²	93	113.4 Å²	113.4	49%	0.487	56%	0.562	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.1	-17.9	172.7	-151.6	78.3	0	0	0	112.4	T518 K522 S523 L524 L543	T518-L520 VanDerWaalsContact C-N 3.27Å; T518-L520 PolarHBondContact O-N 2.86Å; L520-K522 PolarHBondContact O-N 3.03Å; L520-S523 PolarHBondContact O-N 2.89Å; L520-L524 PolarHBondContact O-N 2.93Å; L520-L543 HydrophobicContact CD2-CD1 4.09Å
521	E	38.8	Very low	51.9	Low	155 Å²	155	121.8 Å²	121.8	72%	0.724	61%	0.606	S	S	*	*	H	α-helix	trans	-68.3	-27.4	179.8	-81.8	-171.7	146.3	0	0	114.5	N519 S523	N519-E521 PolarHBondContact O-N 3.06Å; E521-S523 VanDerWaalsContact C-N 3.33Å
522	K	38.6	Very low	49.6	Very low	170 Å²	170	125.9 Å²	125.9	74%	0.739	63%	0.629	S	S	*	*	H	α-helix	trans	-74.9	-23.1	175.5	-94.4	-179.7	177.9	174.7	0	112.9	L520	L520-K522 PolarHBondContact O-N 3.03Å
523	S	36.6	Very low	47.3	Very low	76 Å²	76	131.1 Å²	131.1	53%	0.531	66%	0.658	S	S	.	*	H	α-helix	trans	-76	-39.2	174.7	-174.6	0	0	0	0	111.5	L520 E521 R525 R526	L520-S523 PolarHBondContact O-N 2.89Å; E521-S523 VanDerWaalsContact C-N 3.33Å; S523-R525 PolarHBondContact O-N 2.71Å; S523-R526 PolarHBondContact O-N 3.29Å
524	L	39.4	Very low	45.2	Very low	117 Å²	117	129.6 Å²	129.6	61%	0.613	66%	0.659	S	S	*	*	H	α-helix	trans	-67	-26.8	-176.3	-84.8	154.7	0	0	0	115.1	L520	L520-L524 PolarHBondContact O-N 2.93Å
525	R	38.2	Very low	42.8	Very low	233 Å²	233	133.4 Å²	133.4	88%	0.879	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.9	-16.1	178.6	-83.4	-173.3	-179.8	179.9	2	114.8	S523	S523-R525 PolarHBondContact O-N 2.71Å
526	R	38.4	Very low	40.6	Very low	231 Å²	231	143 Å²	143	87%	0.872	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-8.9	177.2	-75.2	-176.5	-176	154.4	0.2	113.6	S523	S523-R526 PolarHBondContact O-N 3.29Å
527	T	30.1	Very low	38.5	Very low	114 Å²	114	139.8 Å²	139.8	70%	0.699	72%	0.724	S	S	*	*			trans	-130.1	40.2	-168.7	-32.6	0	0	0	0	112.4	S529	T527-S529 PolarHBondContact O-N 2.92Å
528	C	35.9	Very low	36.6	Very low	122 Å²	122	142.7 Å²	142.7	82%	0.824	75%	0.751	S	S	*	*			trans	-84.1	104	166.3	-155.2	0	0	0	0	109
529	S	39.2	Very low	35.2	Very low	103 Å²	103	147.4 Å²	147.4	72%	0.72	77%	0.773	S	S	*	*			trans	176.3	104.5	144.1	54.3	0	0	0	0	110.7	T527	T527-S529 PolarHBondContact O-N 2.92Å
530	R	34.3	Very low	34.6	Very low	237 Å²	237	149.7 Å²	149.7	89%	0.894	78%	0.784	S	S	*	*	S	Bend		170.3	-4.4	129.2	-95.7	-179.9	84.3	142.1	1.7	119.1
531	L	30.9	Very low	34.1	Very low	178 Å²	178	147.8 Å²	147.8	93%	0.932	79%	0.787	S	S	*	*			trans	-137.1	109.2	-179.4	-85.7	154.6	0	0	0	113
532	T	32.4	Very low	33.8	Very low	126 Å²	126	144.4 Å²	144.4	77%	0.773	78%	0.781	S	S	*	*			trans	-77.5	145.9	170.6	9.4	0	0	0	0	112.2
533	M	31.3	Very low	33.7	Very low	170 Å²	170	141.6 Å²	141.6	84%	0.837	77%	0.773	S	S	*	*			trans	64.2	98.1	143.5	-61.4	-76.3	78.9	0	0	120
534	S	32.2	Very low	33.4	Very low	112 Å²	112	144 Å²	144	78%	0.783	78%	0.778	S	S	*	*				-179.2	164.1	116.5	-173.7	0	0	0	0	108.6
535	L	28.6	Very low	33.3	Very low	161 Å²	161	142 Å²	142	84%	0.843	77%	0.77	S	S	*	*			trans	89.1	73.1	174.9	-56.1	155.5	0	0	0	116
536	K	33.5	Very low	33.1	Very low	213 Å²	213	140.2 Å²	140.2	93%	0.926	77%	0.774	S	S	*	*			trans	-61.2	125.9	138.2	-88.5	176	171	175.9	0	108.4
537	G	30.9	Very low	32.8	Very low	74 Å²	74	137.4 Å²	137.4	76%	0.763	77%	0.771	S	S	*	*			trans	109.2	75.2	154.5	0	0	0	0	0	116.9
538	S	28.6	Very low	32.9	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	76%	0.763	S	S	*	*	S	Bend	trans	-179.4	147.1	142.2	49.7	0	0	0	0	108.9	L540	S538-L540 PolarHBondContact O-N 2.61Å
539	N	29.9	Very low	33	Very low	176 Å²	176	135.2 Å²	135.2	94%	0.941	76%	0.759	S	S	*	*			trans	-63.5	124.2	-173.9	-72.3	-42.1	0	0	0	111.5
540	L	33.8	Very low	33.2	Very low	164 Å²	164	136.2 Å²	136.2	86%	0.859	75%	0.75	S	S	*	*			trans	-81.8	116.7	-173.4	-178.6	70.5	0	0	0	111.3	S538	S538-L540 PolarHBondContact O-N 2.61Å
541	G	34.3	Very low	34.1	Very low	53 Å²	53	128.5 Å²	128.5	55%	0.546	73%	0.725	S	S	.	*			trans	-152.2	12.9	179.9	0	0	0	0	0	116.8
542	S	32.3	Very low	35.3	Very low	84 Å²	84	123.9 Å²	123.9	59%	0.587	70%	0.7	S	S	*	*			trans	-115.6	104.3	170.3	-87.3	0	0	0	0	110.1	Q551	S542-Q551 PolarHBondContact OG-NE2 3.27Å; S542-Q551 VanDerWaalsContact OG-NE2 3.08Å
543	L	36.6	Very low	36.6	Very low	111 Å²	111	121.7 Å²	121.7	58%	0.581	68%	0.678	S	S	*	*			trans	-132.5	112.8	168	-114.9	156.9	0	0	0	107.4	L520	L520-L543 HydrophobicContact CD2-CD1 4.09Å
544	M	31.9	Very low	38.3	Very low	127 Å²	127	117 Å²	117	63%	0.626	66%	0.659	S	S	*	*			trans	-80.1	128.8	174.8	-63.3	-138.2	76.7	0	0	109.8
545	T	35.5	Very low	40.3	Very low	73 Å²	73	118.1 Å²	118.1	45%	0.448	65%	0.65	S	S	.	*			trans	-83.1	144.9	168.6	46	0	0	0	0	110.5	E547	T545-E547 PolarHBondContact O-N 3.16Å
546	M	33.9	Very low	42.7	Very low	197 Å²	197	111.1 Å²	111.1	97%	0.97	61%	0.613	S	S	*	*	S	Bend	trans	-68.5	3.8	-172.4	-84.2	-158.5	72.9	0	0	116.2
547	E	32.3	Very low	44.8	Very low	172 Å²	172	101 Å²	101	80%	0.804	57%	0.569	S	S	*	*	S	Bend	trans	-117.3	100.8	169.2	-73.4	177.5	166.6	0	0	108.1	T545	T545-E547 PolarHBondContact O-N 3.16Å
548	G	33.7	Very low	47	Very low	51 Å²	51	102.1 Å²	102.1	53%	0.526	55%	0.551	S	S	.	*	S	Bend	trans	42.8	102	164.2	0	0	0	0	0	119.1	F550	G548-F550 WeakPolarHBondContact O-CD2 3.18Å; G548-F550 PolarHBondContact O-N 3.05Å
549	N	37.8	Very low	49.4	Very low	138 Å²	138	98.3 Å²	98.3	74%	0.738	52%	0.519	S	S	*	.			trans	52.2	27.1	145.4	-68.1	-2.7	0	0	0	120.7
550	F	43.5	Very low	51.5	Low	124 Å²	124	97.6 Å²	97.6	54%	0.544	51%	0.508	S	S	.	.			trans	-99.7	104.7	169.7	-68.8	-75.8	0	0	0	111.7	G548 P616	G548-F550 WeakPolarHBondContact O-CD2 3.18Å; G548-F550 PolarHBondContact O-N 3.05Å; F550-P616 HydrophobicContact CD1-CB 4.28Å; F550-P616 HydrophobicContact CE1-CB 4.29Å
551	Q	53.5	Low	52.9	Low	76 Å²	76	92.7 Å²	92.7	36%	0.355	50%	0.496	S	S	.	.			trans	-83.6	127.2	166.6	-167.8	170.7	6.8	0	0	108.4	S542 Y553 Y614	S542-Q551 PolarHBondContact OG-NE2 3.27Å; S542-Q551 VanDerWaalsContact OG-NE2 3.08Å; Q551-Y553 HydrophobicContact CB-CE1 4.4Å; Q551-Y553 HydrophobicContact CB-CE2 3.96Å; Q551-Y553 HydrophobicContact CG-CE1 4.05Å; Q551-Y553 HydrophobicContact CG-CE2 4.42Å; Q551-Y553 VanDerWaalsContact O-CD2 3.25Å; Q551-Y553 WeakPolarHBondContact O-CD2 3.37Å; Q551-Y553 VanDerWaalsContact O-CE2 3.31Å; Q551-Y553 WeakPolarHBondContact O-CE2 3.46Å; Q551-Y553 PolarHBondContact OE1-OH 3.35Å; Q551-Y553 VanDerWaalsContact OE1-OH 3.11Å; Q551-Y614 PolarHBondContact O-OH 2.93Å
552	I	54.6	Low	54.8	Low	80 Å²	80	95.8 Å²	95.8	41%	0.41	50%	0.5	S	S	.	.			trans	-91.9	107.8	-179	-61.1	175	0	0	0	108.4	T554 T556	I552-T554 WeakPolarHBondContact CG2-O 3.47Å; I552-T556 HydrophobicContact CG2-CG2 4.24Å
553	Y	59.5	Low	57	Low	80 Å²	80	95 Å²	95	31%	0.314	49%	0.489	S	S	.	.			trans	-87.3	-17.8	-174.5	-62.1	-82.9	0	0	0	114.1	Q551 Y614 P616 G618 D622	Q551-Y553 HydrophobicContact CB-CE1 4.4Å; Q551-Y553 HydrophobicContact CB-CE2 3.96Å; Q551-Y553 HydrophobicContact CG-CE1 4.05Å; Q551-Y553 HydrophobicContact CG-CE2 4.42Å; Q551-Y553 VanDerWaalsContact O-CD2 3.25Å; Q551-Y553 WeakPolarHBondContact O-CD2 3.37Å; Q551-Y553 VanDerWaalsContact O-CE2 3.31Å; Q551-Y553 WeakPolarHBondContact O-CE2 3.46Å; Q551-Y553 PolarHBondContact OE1-OH 3.35Å; Q551-Y553 VanDerWaalsContact OE1-OH 3.11Å; Y553-Y614 PolarHBondContact N-OH 2.84Å; Y553-P616 WeakPolarHBondContact CE2-O 3.29Å; Y553-G618 VanDerWaalsContact CD2-CA 3.46Å; Y553-D622 HydrophobicContact CD1-CB 4.03Å; Y553-D622 HydrophobicContact CE1-CB 3.93Å
554	T	67.2	Low	59.2	Low	71 Å²	71	89.8 Å²	89.8	44%	0.436	46%	0.462	S	S	.	.	S	Bend	trans	-145.7	170.9	179.7	-164.4	0	0	0	0	112	I552 T556 A565 Y614	I552-T554 WeakPolarHBondContact CG2-O 3.47Å; T554-T556 PolarHBondContact O-N 3.15Å; T554-A565 HydrophobicContact CG2-CB 4.04Å; T554-Y614 HydrophobicContact CG2-CD2 3.99Å; T554-Y614 HydrophobicContact CG2-CE2 3.89Å
555	K	75.3	Confident	61.7	Low	137 Å²	137	84.4 Å²	84.4	60%	0.596	44%	0.438	S	S	*	.			trans	-65.4	119.4	174.6	-67.7	-172.8	-180	-175.5	0	109.7	I566 Y568	K555-I566 PolarHBondContact O-N 2.87Å; K555-Y568 HydrophobicContact CD-CD2 4.05Å; K555-Y568 HydrophobicContact CD-CE2 3.59Å
556	T	77.5	Confident	64.1	Low	13 Å²	13	81.1 Å²	81.1	8%	0.08	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	156.8	-179.5	55.3	0	0	0	0	111.8	I552 T554 L563 A564 Y614	I552-T556 HydrophobicContact CG2-CG2 4.24Å; T554-T556 PolarHBondContact O-N 3.15Å; T556-L563 HydrophobicContact CG2-CD1 4.34Å; T556-A564 VanDerWaalsContact CA-O 3.3Å; T556-A564 WeakPolarHBondContact CA-O 3.45Å; T556-Y614 HydrophobicContact CG2-CD1 4.39Å; T556-Y614 HydrophobicContact CG2-CD2 3.54Å; T556-Y614 HydrophobicContact CG2-CE1 4.39Å; T556-Y614 HydrophobicContact CG2-CE2 3.57Å; T556-Y614 HydrophobicContact CG2-CG 3.98Å
557	G	79.4	Confident	66.4	Low	0 Å²	0	76 Å²	76	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	161.7	168.5	0	0	0	0	0	110.9	A564	G557-A564 PolarHBondContact N-O 3.41Å; G557-A564 PolarHBondContact O-N 3.01Å
558	Y	77.1	Confident	68.7	Low	99 Å²	99	72.3 Å²	72.3	39%	0.388	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.4	177.5	-73	-90	0	0	0	110	Q516 T518 N562 L563	Q516-Y558 PolarHBondContact N-O 3.4Å; Q516-Y558 PolarHBondContact O-N 2.92Å; T518-Y558 HydrophobicContact CG2-CD2 4.26Å; T518-Y558 HydrophobicContact CG2-CE2 3.89Å; Y558-N562 WeakPolarHBondContact CA-O 3.49Å; Y558-L563 HydrophobicContact CD2-CD1 4.45Å; Y558-L563 HydrophobicContact CE1-CB 4.27Å; Y558-L563 HydrophobicContact CE1-CD1 4.31Å; Y558-L563 HydrophobicContact CE2-CD1 4.09Å
559	Y	77.4	Confident	71	Confident	38 Å²	38	70.9 Å²	70.9	15%	0.149	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	117.3	171.6	176.6	-111.2	0	0	0	108.6	V510 D514 G561 N562 I599	V510-Y559 HydrophobicContact CB-CE2 4.38Å; V510-Y559 HydrophobicContact CG1-CD2 3.8Å; V510-Y559 HydrophobicContact CG1-CE2 3.41Å; V510-Y559 VanDerWaalsContact CG1-CE2 3.41Å; V510-Y559 HydrophobicContact CG2-CE1 4.49Å; V510-Y559 HydrophobicContact CG2-CE2 4.13Å; D514-Y559 HydrophobicContact CB-CD2 4.04Å; D514-Y559 HydrophobicContact CB-CE2 3.8Å; Y559-G561 PolarHBondContact O-N 3.02Å; Y559-N562 PolarHBondContact N-O 3.45Å; Y559-N562 PolarHBondContact O-N 2.79Å; Y559-I599 HydrophobicContact CD1-CG2 3.57Å; Y559-I599 HydrophobicContact CE1-CG2 3.65Å
560	K	74.7	Confident	72.5	Confident	162 Å²	162	72 Å²	72	70%	0.704	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.6	-175.5	-60	-175.3	176.4	-177.3	0	114	N562	K560-N562 VanDerWaalsContact C-N 3.34Å; K560-N562 PolarHBondContact O-N 3.33Å
561	G	63.9	Low	73.7	Confident	60 Å²	60	69.7 Å²	69.7	62%	0.619	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.8	-9.4	-179.8	0	0	0	0	0	115.5	Y559	Y559-G561 PolarHBondContact O-N 3.02Å
562	N	73.9	Confident	74.3	Confident	119 Å²	119	76.2 Å²	76.2	64%	0.636	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.1	179	-67	-25.1	0	0	0	111.8	Y558 Y559 K560 A564	Y558-N562 WeakPolarHBondContact CA-O 3.49Å; Y559-N562 PolarHBondContact N-O 3.45Å; Y559-N562 PolarHBondContact O-N 2.79Å; K560-N562 VanDerWaalsContact C-N 3.34Å; K560-N562 PolarHBondContact O-N 3.33Å; N562-A564 PolarHBondContact O-N 3.07Å
563	L	77.7	Confident	74.8	Confident	67 Å²	67	82 Å²	82	35%	0.351	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	124.1	176.6	-171.4	66.4	0	0	0	110.4	T556 Y558 Y614	T556-L563 HydrophobicContact CG2-CD1 4.34Å; Y558-L563 HydrophobicContact CD2-CD1 4.45Å; Y558-L563 HydrophobicContact CE1-CB 4.27Å; Y558-L563 HydrophobicContact CE1-CD1 4.31Å; Y558-L563 HydrophobicContact CE2-CD1 4.09Å; L563-Y614 HydrophobicContact CD2-CD1 3.49Å; L563-Y614 VanDerWaalsContact CD2-CD1 3.49Å; L563-Y614 HydrophobicContact CD2-CE1 3.87Å; L563-Y614 HydrophobicContact CD2-CG 4.3Å; L563-Y614 HydrophobicContact CG-CD1 4.04Å; L563-Y614 HydrophobicContact CG-CG 4.39Å
564	A	83.4	Confident	75.4	Confident	2 Å²	2	79.6 Å²	79.6	2%	0.017	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.1	-177.4	0	0	0	0	0	112.2	T556 G557 N562 I599 I611	T556-A564 VanDerWaalsContact CA-O 3.3Å; T556-A564 WeakPolarHBondContact CA-O 3.45Å; G557-A564 PolarHBondContact N-O 3.41Å; G557-A564 PolarHBondContact O-N 3.01Å; N562-A564 PolarHBondContact O-N 3.07Å; A564-I599 HydrophobicContact CB-CD1 3.88Å; A564-I611 HydrophobicContact CB-CG2 3.55Å
565	A	84.4	Confident	75.5	Confident	13 Å²	13	83 Å²	83	11%	0.107	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	130.9	174.8	0	0	0	0	0	110	T554 I611 T612 Y614	T554-A565 HydrophobicContact CG2-CB 4.04Å; A565-I611 WeakPolarHBondContact O-CA 3.38Å; A565-T612 PolarHBondContact N-O 3.49Å; A565-T612 PolarHBondContact O-N 3.31Å; A565-T612 VanDerWaalsContact O-N 3.09Å; A565-Y614 HydrophobicContact CB-CD2 4.24Å
566	I	84.9	Confident	75.4	Confident	5 Å²	5	79.9 Å²	79.9	3%	0.026	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	115.2	-173.3	-56.8	-177.3	0	0	0	110.2	I515 M517 K555 Y568 C609	I515-I566 HydrophobicContact CG2-CD1 3.58Å; M517-I566 HydrophobicContact CE-CD1 3.28Å; M517-I566 HydrophobicContact CE-CG2 4.46Å; M517-I566 HydrophobicContact SD-CD1 4.04Å; K555-I566 PolarHBondContact O-N 2.87Å; I566-Y568 HydrophobicContact CG2-CE2 4.06Å; I566-C609 HydrophobicContact CG2-CB 3.68Å
567	K	82.8	Confident	75.5	Confident	90 Å²	90	82.5 Å²	82.5	39%	0.391	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	114.1	179.2	-170.6	170.6	-178.6	176.3	0	111.3	C609 I610 D678	K567-C609 CarbonylContact O-C 3.6Å; K567-C609 VanDerWaalsContact O-CA 3.23Å; K567-C609 WeakPolarHBondContact O-CA 3.06Å; K567-C609 WeakPolarHBondContact O-CB 3.44Å; K567-I610 PolarHBondContact N-O 3.46Å; K567-I610 PolarHBondContact O-N 3.22Å; K567-D678 IonicContact NZ-OD1 3.35Å; K567-D678 PolarHBondContact NZ-OD1 3.14Å; K567-D678 IonicContact NZ-OD2 2.72Å; K567-D678 PolarHBondContact NZ-OD2 3.5Å
568	Y	81.3	Confident	75.3	Confident	94 Å²	94	91.3 Å²	91.3	37%	0.369	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	138.7	-178.8	-68.1	-91.9	0	0	0	112	W512 K555 I566 M608 C609	W512-Y568 AromaticContact CH2-CE1 3.96Å; W512-Y568 HydrophobicContact CH2-CE1 3.96Å; W512-Y568 HydrophobicContact CZ3-CE1 4.27Å; K555-Y568 HydrophobicContact CD-CD2 4.05Å; K555-Y568 HydrophobicContact CD-CE2 3.59Å; I566-Y568 HydrophobicContact CG2-CE2 4.06Å; Y568-M608 CarbonylContact C-O 3.57Å; Y568-M608 WeakPolarHBondContact CA-O 3.31Å; Y568-C609 HydrophobicContact CD1-CB 4.34Å
569	I	80.4	Confident	75.1	Confident	20 Å²	20	93.8 Å²	93.8	10%	0.103	44%	0.444	C	S	.	.			trans	-95.5	119.9	174.5	-56.9	167.1	0	0	0	108.5	K571 I574 L603 M608 I610 L684	I569-K571 VanDerWaalsContact C-N 3.29Å; I569-K571 HydrophobicContact CG2-CB 4.11Å; I569-K571 HydrophobicContact CG2-CD 4.43Å; I569-K571 HydrophobicContact CG2-CG 4.06Å; I569-K571 PolarHBondContact O-N 2.75Å; I569-I574 HydrophobicContact CD1-CD1 4.06Å; I569-I574 HydrophobicContact CG2-CD1 3.84Å; I569-L603 HydrophobicContact CD1-CD2 4.45Å; I569-M608 HydrophobicContact CB-CB 4.18Å; I569-M608 PolarHBondContact N-O 2.94Å; I569-I610 HydrophobicContact CD1-CD1 4.18Å; I569-I610 HydrophobicContact CD1-CG1 3.87Å; I569-I610 HydrophobicContact CG1-CD1 4.23Å; I569-I610 HydrophobicContact CG1-CG1 4.11Å; I569-L684 HydrophobicContact CD1-CB 4.42Å; I569-L684 WeakPolarHBondContact CG2-O 3.43Å
570	N	69.1	Low	75.1	Confident	162 Å²	162	92.5 Å²	92.5	87%	0.866	44%	0.44	S	S	*	.			trans	-87.1	63.6	179	-164	5.2	0	0	0	111.5
571	K	70.3	Confident	75.3	Confident	75 Å²	75	86.4 Å²	86.4	33%	0.326	42%	0.415	S	S	.	.			trans	-130.7	135.3	173.6	-70.6	-171.1	176.1	-172.8	0	109.7	I569 R573 I574 S683	I569-K571 VanDerWaalsContact C-N 3.29Å; I569-K571 HydrophobicContact CG2-CB 4.11Å; I569-K571 HydrophobicContact CG2-CD 4.43Å; I569-K571 HydrophobicContact CG2-CG 4.06Å; I569-K571 PolarHBondContact O-N 2.75Å; K571-R573 VanDerWaalsContact C-N 3.33Å; K571-R573 PolarHBondContact O-N 3.48Å; K571-I574 HydrophobicContact CB-CD1 4.36Å; K571-I574 HydrophobicContact CB-CG1 3.99Å; K571-I574 HydrophobicContact CD-CD1 4.39Å; K571-I574 HydrophobicContact CD-CG1 4.13Å; K571-S683 PolarHBondContact NZ-O 3.3Å
572	K	64.8	Low	76	Confident	213 Å²	213	85.9 Å²	85.9	93%	0.926	40%	0.396	S	S	*	.	S	Bend	trans	-69.5	-29.3	-179.2	-66	-175.3	179.6	-179	0	113.1
573	R	65.6	Low	76.4	Confident	202 Å²	202	82.6 Å²	82.6	76%	0.762	38%	0.376	S	S	*	.			trans	-156.4	141.3	176.3	-168	176.2	-178	-173.7	-0.5	109.1	K571	K571-R573 VanDerWaalsContact C-N 3.33Å; K571-R573 PolarHBondContact O-N 3.48Å
574	I	71.3	Confident	76.6	Confident	29 Å²	29	79.4 Å²	79.4	15%	0.149	36%	0.359	C	S	.	.			trans	-119.6	123	173.8	-58.9	179.3	0	0	0	107.8	I569 K571 L603 M608 L684	I569-I574 HydrophobicContact CD1-CD1 4.06Å; I569-I574 HydrophobicContact CG2-CD1 3.84Å; K571-I574 HydrophobicContact CB-CD1 4.36Å; K571-I574 HydrophobicContact CB-CG1 3.99Å; K571-I574 HydrophobicContact CD-CD1 4.39Å; K571-I574 HydrophobicContact CD-CG1 4.13Å; I574-L603 HydrophobicContact CD1-CD2 4.25Å; I574-M608 HydrophobicContact CB-CE 3.81Å; I574-M608 HydrophobicContact CD1-CE 3.31Å; I574-M608 HydrophobicContact CD1-SD 4.16Å; I574-M608 HydrophobicContact CG1-CE 3.47Å; I574-M608 VanDerWaalsContact CG1-CE 3.47Å; I574-M608 HydrophobicContact CG1-SD 4.16Å; I574-L684 HydrophobicContact CD1-CD2 3.72Å; I574-L684 HydrophobicContact CG2-CD2 3.51Å
575	E	71.1	Confident	76.6	Confident	142 Å²	142	79.9 Å²	79.9	66%	0.664	36%	0.361	S	S	*	.			trans	-84	121.9	171.9	-69.1	-176.6	175.6	0	0	109.7	T577	E575-T577 VanDerWaalsContact C-N 3.27Å; E575-T577 PolarHBondContact O-N 3.32Å
576	L	73.4	Confident	76.5	Confident	72 Å²	72	82.4 Å²	82.4	38%	0.377	37%	0.371	S	S	.	.			trans	-75	79.6	176.6	-74.2	169.9	0	0	0	110	W508 V580 L581 L603	W508-L576 HydrophobicContact CH2-CD1 4.45Å; W508-L576 HydrophobicContact CH2-CD2 4.02Å; W508-L576 HydrophobicContact CZ2-CD2 4.41Å; L576-V580 HydrophobicContact CD2-CG1 4.32Å; L576-L581 HydrophobicContact CD2-CD2 4.07Å; L576-L603 HydrophobicContact CD1-CD1 4.32Å; L576-L603 HydrophobicContact CD2-CD1 3.64Å; L576-L603 HydrophobicContact CG-CD1 4.26Å
577	T	78.1	Confident	76.4	Confident	69 Å²	69	82.6 Å²	82.6	42%	0.423	37%	0.371	S	S	.	.			trans	-73.7	156.1	170	61.7	0	0	0	0	110.6	E575 K579 V580 L581	E575-T577 VanDerWaalsContact C-N 3.27Å; E575-T577 PolarHBondContact O-N 3.32Å; T577-K579 PolarHBondContact O-N 3.13Å; T577-K579 VanDerWaalsContact O-N 3.11Å; T577-V580 PolarHBondContact O-N 3.39Å; T577-V580 WeakPolarHBondContact OG1-CG2 3.23Å; T577-L581 PolarHBondContact O-N 3.24Å; T577-L581 VanDerWaalsContact O-N 3.16Å
578	R	75.9	Confident	76.4	Confident	185 Å²	185	82 Å²	82	70%	0.698	37%	0.367	S	S	*	.	H	α-helix	trans	-51.2	-37.9	177.6	-174.6	177	-177.9	-170.9	-2.8	112.5	L581 F582	R578-L581 PolarHBondContact O-N 3.04Å; R578-F582 HydrophobicContact CG-CD2 3.97Å; R578-F582 HydrophobicContact CG-CE2 3.89Å; R578-F582 VanDerWaalsContact O-CD2 3.3Å; R578-F582 WeakPolarHBondContact O-CD2 3.5Å; R578-F582 PolarHBondContact O-N 2.84Å; R578-F582 VanDerWaalsContact O-N 3.13Å
579	K	73.4	Confident	76.4	Confident	150 Å²	150	82 Å²	82	65%	0.652	37%	0.373	S	S	*	.	H	α-helix	trans	-62.9	-42.9	178.1	-171.1	177	176.7	-179.7	0	112.1	T577 F582 E583	T577-K579 PolarHBondContact O-N 3.13Å; T577-K579 VanDerWaalsContact O-N 3.11Å; K579-F582 PolarHBondContact O-N 3.46Å; K579-E583 WeakPolarHBondContact O-CG 3.31Å; K579-E583 PolarHBondContact O-N 3.08Å
580	V	77.6	Confident	76.5	Confident	11 Å²	11	82 Å²	82	7%	0.067	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-38.6	178.3	176.3	0	0	0	0	111.6	L576 T577 E583 L584 L684	L576-V580 HydrophobicContact CD2-CG1 4.32Å; T577-V580 PolarHBondContact O-N 3.39Å; T577-V580 WeakPolarHBondContact OG1-CG2 3.23Å; V580-E583 PolarHBondContact O-N 3.07Å; V580-L584 HydrophobicContact CG1-CD1 4.04Å; V580-L584 WeakPolarHBondContact O-CG 3.25Å; V580-L584 PolarHBondContact O-N 3.34Å; V580-L684 HydrophobicContact CG1-CD1 4.42Å; V580-L684 HydrophobicContact CG1-CD2 4.04Å; V580-L684 HydrophobicContact CG1-CG 4.39Å
581	L	78.7	Confident	77.1	Confident	34 Å²	34	80.3 Å²	80.3	18%	0.178	36%	0.361	C	S	.	.	H	α-helix	trans	-64.6	-39.2	175.8	-70.3	173.2	0	0	0	112.4	W508 L576 T577 R578 L584 K585	W508-L581 HydrophobicContact CH2-CD2 4.44Å; W508-L581 HydrophobicContact CZ2-CD2 3.48Å; W508-L581 VanDerWaalsContact CZ2-CD2 3.48Å; L576-L581 HydrophobicContact CD2-CD2 4.07Å; T577-L581 PolarHBondContact O-N 3.24Å; T577-L581 VanDerWaalsContact O-N 3.16Å; R578-L581 PolarHBondContact O-N 3.04Å; L581-L584 PolarHBondContact O-N 3.41Å; L581-K585 WeakPolarHBondContact O-CB 3.47Å; L581-K585 PolarHBondContact O-N 3.31Å
582	F	78.8	Confident	77.9	Confident	50 Å²	50	78.6 Å²	78.6	22%	0.219	36%	0.355	C	S	.	.	H	α-helix	trans	-65.6	-42.6	172.7	-88.6	-70.4	0	0	0	112.1	L499 L503 R578 K579 L584 K585 H586	L499-F582 HydrophobicContact CD2-CE1 4.19Å; L499-F582 HydrophobicContact CD2-CZ 4.26Å; L503-F582 HydrophobicContact CD1-CE1 4.19Å; L503-F582 HydrophobicContact CD1-CE2 4.16Å; L503-F582 HydrophobicContact CD1-CZ 3.77Å; R578-F582 HydrophobicContact CG-CD2 3.97Å; R578-F582 HydrophobicContact CG-CE2 3.89Å; R578-F582 VanDerWaalsContact O-CD2 3.3Å; R578-F582 WeakPolarHBondContact O-CD2 3.5Å; R578-F582 PolarHBondContact O-N 2.84Å; R578-F582 VanDerWaalsContact O-N 3.13Å; K579-F582 PolarHBondContact O-N 3.46Å; F582-L584 PolarHBondContact O-N 2.93Å; F582-K585 PolarHBondContact O-N 3.26Å; F582-H586 AromaticContact CD1-NE2 3.95Å; F582-H586 WeakPolarHBondContact O-CB 3.36Å; F582-H586 PolarHBondContact O-N 2.99Å; F582-H586 PolarHBondContact O-ND1 3.37Å
583	E	81	Confident	78.9	Confident	49 Å²	49	72.9 Å²	72.9	23%	0.229	33%	0.332	C	S	.	.	H	α-helix	trans	-58.7	-45	175.2	-73.7	175.3	-163.5	0	0	111.6	K579 V580 M587 L681 S683	K579-E583 WeakPolarHBondContact O-CG 3.31Å; K579-E583 PolarHBondContact O-N 3.08Å; V580-E583 PolarHBondContact O-N 3.07Å; E583-M587 WeakPolarHBondContact O-CB 3.41Å; E583-M587 WeakPolarHBondContact O-CG 3.41Å; E583-M587 PolarHBondContact O-N 3.31Å; E583-L681 HydrophobicContact CB-CD2 4.14Å; E583-S683 WeakPolarHBondContact OE2-CB 3.27Å; E583-S683 PolarHBondContact OE2-OG 3.22Å
584	L	82.9	Confident	80.2	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-66.3	-37.9	177.3	-73.6	163.7	0	0	0	113.1	W508 V580 L581 F582 R588 F598 A601 L681 L684	W508-L584 HydrophobicContact CD2-CB 4.16Å; W508-L584 HydrophobicContact CD2-CD1 4.01Å; W508-L584 HydrophobicContact CE3-CD1 3.91Å; W508-L584 HydrophobicContact CE3-CD2 4.4Å; W508-L584 HydrophobicContact CG-CB 4.17Å; W508-L584 HydrophobicContact CH2-CD1 3.87Å; W508-L584 HydrophobicContact CZ2-CD1 3.94Å; W508-L584 HydrophobicContact CZ3-CD1 3.84Å; V580-L584 HydrophobicContact CG1-CD1 4.04Å; V580-L584 WeakPolarHBondContact O-CG 3.25Å; V580-L584 PolarHBondContact O-N 3.34Å; L581-L584 PolarHBondContact O-N 3.41Å; F582-L584 PolarHBondContact O-N 2.93Å; L584-R588 PolarHBondContact O-N 3.2Å; L584-F598 HydrophobicContact CD2-CE1 4.48Å; L584-F598 HydrophobicContact CD2-CZ 3.83Å; L584-A601 HydrophobicContact CD2-CB 4.1Å; L584-L681 HydrophobicContact CD2-CD1 4.19Å; L584-L681 HydrophobicContact CD2-CD2 3.64Å; L584-L681 HydrophobicContact CG-CD2 3.95Å; L584-L684 HydrophobicContact CD2-CD1 4.13Å; L584-L684 HydrophobicContact CG-CD1 4.49Å
585	K	82	Confident	81.1	Confident	13 Å²	13	62.5 Å²	62.5	6%	0.057	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-52	174.7	-178.6	175.9	-178.1	171.8	0	111	E502 L503 L581 F582 M587 R588 D589	E502-K585 IonicContact OE2-NZ 3.24Å; E502-K585 PolarHBondContact OE2-NZ 3.46Å; L503-K585 HydrophobicContact CD2-CB 4.48Å; L503-K585 HydrophobicContact CD2-CD 3.97Å; L581-K585 WeakPolarHBondContact O-CB 3.47Å; L581-K585 PolarHBondContact O-N 3.31Å; F582-K585 PolarHBondContact O-N 3.26Å; K585-M587 VanDerWaalsContact C-N 3.26Å; K585-M587 PolarHBondContact O-N 3.38Å; K585-R588 PolarHBondContact O-N 3.31Å; K585-R588 VanDerWaalsContact O-N 3.07Å; K585-D589 WeakPolarHBondContact CE-OD2 3.35Å; K585-D589 WeakPolarHBondContact CG-OD2 3.44Å; K585-D589 VanDerWaalsContact O-CG 3.3Å; K585-D589 PolarHBondContact O-N 3.2Å
586	H	83.1	Confident	82	Confident	66 Å²	66	55.9 Å²	55.9	31%	0.306	26%	0.261	S	S	.	.	H	α-helix	trans	-59	-38.5	-179.8	-64.8	159.7	0	0	0	112	F582 R588 D589 V590	F582-H586 AromaticContact CD1-NE2 3.95Å; F582-H586 WeakPolarHBondContact O-CB 3.36Å; F582-H586 PolarHBondContact O-N 2.99Å; F582-H586 PolarHBondContact O-ND1 3.37Å; H586-R588 VanDerWaalsContact C-N 3.29Å; H586-R588 PolarHBondContact O-N 3.43Å; H586-D589 PolarHBondContact O-N 3.43Å; H586-V590 WeakPolarHBondContact O-CG2 3.1Å; H586-V590 PolarHBondContact O-N 3.14Å; H586-V590 VanDerWaalsContact O-N 3.1Å
587	M	82.7	Confident	82.7	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.039	27%	0.268	C	S	.	.	H	α-helix	trans	-63.3	-33.5	177.1	-75.9	-71.2	-58	0	0	113.9	E583 K585 F598 I655 Y679 L681	E583-M587 WeakPolarHBondContact O-CB 3.41Å; E583-M587 WeakPolarHBondContact O-CG 3.41Å; E583-M587 PolarHBondContact O-N 3.31Å; K585-M587 VanDerWaalsContact C-N 3.26Å; K585-M587 PolarHBondContact O-N 3.38Å; M587-F598 HydrophobicContact CB-CB 4.47Å; M587-F598 HydrophobicContact CB-CD1 4.12Å; M587-F598 HydrophobicContact CB-CG 4.17Å; M587-F598 HydrophobicContact CE-CB 4.44Å; M587-F598 HydrophobicContact CE-CD2 4.49Å; M587-F598 WeakPolarHBondContact O-CB 3.16Å; M587-I655 HydrophobicContact SD-CD1 3.64Å; M587-Y679 HydrophobicContact CE-CD2 3.73Å; M587-Y679 HydrophobicContact CE-CE2 3.46Å; M587-Y679 VanDerWaalsContact CE-CE2 3.46Å; M587-Y679 WeakPolarHBondContact CE-O 3.45Å; M587-Y679 HydrophobicContact SD-CD2 3.68Å; M587-Y679 HydrophobicContact SD-CE2 3.61Å; M587-L681 HydrophobicContact CB-CD2 4.45Å; M587-L681 HydrophobicContact CE-CD1 4.35Å; M587-L681 HydrophobicContact CE-CG 4.31Å; M587-L681 HydrophobicContact CG-CD1 4.33Å; M587-L681 HydrophobicContact CG-CD2 3.76Å; M587-L681 HydrophobicContact CG-CG 3.73Å; M587-L681 HydrophobicContact SD-CG 4.38Å
588	R	82.1	Confident	83.2	Confident	78 Å²	78	56.4 Å²	56.4	29%	0.294	25%	0.25	S	C	.	.	H	α-helix	trans	-77.9	-35.7	177.3	-173.4	-176	63.9	158.1	-0.5	112.6	L584 K585 H586 V590 F598	L584-R588 PolarHBondContact O-N 3.2Å; K585-R588 PolarHBondContact O-N 3.31Å; K585-R588 VanDerWaalsContact O-N 3.07Å; H586-R588 VanDerWaalsContact C-N 3.29Å; H586-R588 PolarHBondContact O-N 3.43Å; R588-V590 VanDerWaalsContact C-N 3.29Å; R588-F598 HydrophobicContact CB-CD1 4.07Å; R588-F598 HydrophobicContact CB-CE1 4.5Å
589	D	81.1	Confident	83.7	Confident	95 Å²	95	50 Å²	50	51%	0.508	23%	0.229	S	C	.	.	H	α-helix	trans	-78.2	-17.9	-177	-61.3	-11.1	0	0	0	111.7	K585 H586 H591	K585-D589 WeakPolarHBondContact CE-OD2 3.35Å; K585-D589 WeakPolarHBondContact CG-OD2 3.44Å; K585-D589 VanDerWaalsContact O-CG 3.3Å; K585-D589 PolarHBondContact O-N 3.2Å; H586-D589 PolarHBondContact O-N 3.43Å; D589-H591 PolarHBondContact O-N 3.05Å
590	V	83.7	Confident	84.4	Confident	18 Å²	18	42.9 Å²	42.9	11%	0.109	20%	0.198	C	C	.	.			trans	-77.2	118.8	174.6	168.3	0	0	0	0	110.8	H586 R588 L595 F649 I655 Y679	H586-V590 WeakPolarHBondContact O-CG2 3.1Å; H586-V590 PolarHBondContact O-N 3.14Å; H586-V590 VanDerWaalsContact O-N 3.1Å; R588-V590 VanDerWaalsContact C-N 3.29Å; V590-L595 HydrophobicContact CG1-CD1 3.91Å; V590-F649 HydrophobicContact CG1-CE1 3.85Å; V590-F649 HydrophobicContact CG1-CZ 4.44Å; V590-I655 HydrophobicContact CG2-CD1 4.26Å; V590-Y679 HydrophobicContact CG1-CE2 4.46Å
591	H	81.9	Confident	84.8	Confident	128 Å²	128	42.3 Å²	42.3	59%	0.593	20%	0.195	S	C	*	.			trans	-131	126.7	174.1	-163.3	61.9	0	0	0	110.8	D589	D589-H591 PolarHBondContact O-N 3.05Å
592	N	87.6	Confident	85.1	Confident	39 Å²	39	40.7 Å²	40.7	21%	0.209	19%	0.186	C	C	.	.			trans	-155	148.3	175	-175.1	-95.8	0	0	0	109.3	H594 L595 F649	N592-H594 VanDerWaalsContact C-N 3.3Å; N592-H594 PolarHBondContact O-N 3.1Å; N592-H594 PolarHBondContact OD1-N 2.81Å; N592-L595 HydrophobicContact CB-CB 4.22Å; N592-L595 HydrophobicContact CB-CD1 4.21Å; N592-L595 HydrophobicContact CB-CG 4.08Å; N592-L595 PolarHBondContact O-N 3.48Å; N592-L595 VanDerWaalsContact O-O 3.11Å; N592-F649 HydrophobicContact CB-CD1 3.67Å; N592-F649 HydrophobicContact CB-CD2 4.45Å; N592-F649 HydrophobicContact CB-CE1 3.63Å; N592-F649 HydrophobicContact CB-CE2 4.4Å; N592-F649 HydrophobicContact CB-CG 4.09Å; N592-F649 HydrophobicContact CB-CZ 4.01Å
593	E	85.1	Confident	85.1	Confident	93 Å²	93	39.4 Å²	39.4	44%	0.435	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-35.7	-179.4	-168.4	-179	172.3	0	0	113	K675	E593-K675 WeakPolarHBondContact O-CD 3.33Å; E593-K675 WeakPolarHBondContact O-CE 3.26Å; E593-K675 WeakPolarHBondContact O-CG 3.48Å
594	H	91.8	Very high	85.1	Confident	11 Å²	11	39 Å²	39	5%	0.051	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	15.8	-178.1	-56.4	-65	0	0	0	113.5	N592 D642 K645 L674 K675 I676	N592-H594 VanDerWaalsContact C-N 3.3Å; N592-H594 PolarHBondContact O-N 3.1Å; N592-H594 PolarHBondContact OD1-N 2.81Å; H594-D642 VanDerWaalsContact CE1-CG 3.49Å; H594-D642 IonicContact CE1-OD1 2.76Å; H594-D642 PolarHBondContact CE1-OD1 3.07Å; H594-D642 IonicContact ND1-OD1 3.6Å; H594-D642 IonicContact NE2-OD1 3.99Å; H594-K645 VanDerWaalsContact CD2-CB 3.46Å; H594-K645 WeakPolarHBondContact CD2-CB 3.06Å; H594-K645 WeakPolarHBondContact NE2-CD 3.38Å; H594-L674 PolarHBondContact ND1-O 3.33Å; H594-K675 CarbonylContact O-C 3.55Å; H594-K675 WeakPolarHBondContact O-CA 3.39Å; H594-I676 PolarHBondContact O-N 3.3Å
595	L	91.3	Very high	84.5	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-124.6	140.7	172.3	-65.8	-173.4	0	0	0	110	V590 N592 R597 F649 L650 I676 Y679	V590-L595 HydrophobicContact CG1-CD1 3.91Å; N592-L595 HydrophobicContact CB-CB 4.22Å; N592-L595 HydrophobicContact CB-CD1 4.21Å; N592-L595 HydrophobicContact CB-CG 4.08Å; N592-L595 PolarHBondContact O-N 3.48Å; N592-L595 VanDerWaalsContact O-O 3.11Å; L595-R597 PolarHBondContact O-N 2.91Å; L595-F649 HydrophobicContact CD1-CD1 3.61Å; L595-F649 HydrophobicContact CD1-CE1 3.75Å; L595-F649 HydrophobicContact CG-CD1 4.36Å; L595-L650 HydrophobicContact CD1-CD1 4.01Å; L595-L650 HydrophobicContact CD2-CD1 4.14Å; L595-I676 HydrophobicContact CD2-CB 3.79Å; L595-I676 HydrophobicContact CD2-CD1 4.23Å; L595-I676 HydrophobicContact CD2-CG2 4.47Å; L595-Y679 HydrophobicContact CB-CE1 3.81Å; L595-Y679 HydrophobicContact CD1-CE1 4.37Å; L595-Y679 HydrophobicContact CD1-CE2 4.38Å; L595-Y679 HydrophobicContact CD2-CD1 4.24Å; L595-Y679 HydrophobicContact CD2-CE1 4.19Å; L595-Y679 HydrophobicContact CG-CE1 4.35Å
596	T	89.7	Confident	84	Confident	3 Å²	3	48.9 Å²	48.9	2%	0.018	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-70	123.3	177.9	58	0	0	0	0	112.2	F598 E613 V667 K675 I676 T677 Y679	T596-F598 PolarHBondContact O-N 3.5Å; T596-E613 VanDerWaalsContact CA-OE1 3.3Å; T596-E613 WeakPolarHBondContact CA-OE1 3.42Å; T596-E613 HydrophobicContact CG2-CG 4.37Å; T596-V667 HydrophobicContact CG2-CG2 3.48Å; T596-V667 VanDerWaalsContact CG2-CG2 3.48Å; T596-K675 HydrophobicContact CG2-CB 3.91Å; T596-I676 PolarHBondContact N-O 3.07Å; T596-T677 WeakPolarHBondContact OG1-CA 3.2Å; T596-T677 WeakPolarHBondContact OG1-CB 3.38Å; T596-T677 PolarHBondContact OG1-OG1 2.66Å; T596-Y679 PolarHBondContact O-OH 2.83Å
597	R	88.4	Confident	83.6	Confident	144 Å²	144	48.4 Å²	48.4	54%	0.543	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-58.6	126.3	177.6	-171.8	177	-178.1	159.9	1.5	112.3	L595 T612 E613	L595-R597 PolarHBondContact O-N 2.91Å; R597-T612 WeakPolarHBondContact O-CA 3.43Å; R597-E613 HydrophobicContact CB-CB 4.43Å; R597-E613 HydrophobicContact CB-CG 4.21Å; R597-E613 VanDerWaalsContact CB-OE2 3.27Å; R597-E613 WeakPolarHBondContact CB-OE2 3.41Å; R597-E613 PolarHBondContact N-OE1 2.86Å; R597-E613 PolarHBondContact O-N 2.85Å
598	F	89.1	Confident	83.5	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	120.3	170.1	179.1	-103.3	0	0	0	110.1	W508 L584 M587 R588 T596 G600 A601 I610 T612 L681	W508-F598 HydrophobicContact CB-CE1 4.29Å; L584-F598 HydrophobicContact CD2-CE1 4.48Å; L584-F598 HydrophobicContact CD2-CZ 3.83Å; M587-F598 HydrophobicContact CB-CB 4.47Å; M587-F598 HydrophobicContact CB-CD1 4.12Å; M587-F598 HydrophobicContact CB-CG 4.17Å; M587-F598 HydrophobicContact CE-CB 4.44Å; M587-F598 HydrophobicContact CE-CD2 4.49Å; M587-F598 WeakPolarHBondContact O-CB 3.16Å; R588-F598 HydrophobicContact CB-CD1 4.07Å; R588-F598 HydrophobicContact CB-CE1 4.5Å; T596-F598 PolarHBondContact O-N 3.5Å; F598-G600 WeakPolarHBondContact CE2-O 3.46Å; F598-A601 HydrophobicContact CZ-CB 4.15Å; F598-I610 HydrophobicContact CD2-CG2 4.24Å; F598-I610 HydrophobicContact CE2-CG2 3.86Å; F598-T612 HydrophobicContact CD2-CG2 4.47Å; F598-L681 HydrophobicContact CD2-CD1 4.24Å; F598-L681 HydrophobicContact CE2-CD1 3.68Å; F598-L681 HydrophobicContact CZ-CD1 4.27Å
599	I	86.6	Confident	83.6	Confident	51 Å²	51	44.8 Å²	44.8	26%	0.262	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-44.4	-179.5	-62.2	175.1	0	0	0	109.8	Y559 A564 I611	Y559-I599 HydrophobicContact CD1-CG2 3.57Å; Y559-I599 HydrophobicContact CE1-CG2 3.65Å; A564-I599 HydrophobicContact CB-CD1 3.88Å; I599-I611 HydrophobicContact CB-CB 4.38Å; I599-I611 HydrophobicContact CB-CG2 4.05Å; I599-I611 HydrophobicContact CD1-CG2 4.23Å; I599-I611 HydrophobicContact CG2-CG2 4.22Å; I599-I611 PolarHBondContact N-O 2.86Å
600	G	86.8	Confident	83.9	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-176.9	179.2	0	0	0	0	0	113.7	W508 F598 I611	W508-G600 CarbonylContact O-C 3.59Å; W508-G600 WeakPolarHBondContact O-CA 3.02Å; F598-G600 WeakPolarHBondContact CE2-O 3.46Å; G600-I611 PolarHBondContact N-O 2.97Å; G600-I611 PolarHBondContact O-N 3.03Å
601	A	86.3	Confident	84.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.8	175	0	0	0	0	0	110.8	W508 V510 L584 F598 C609	W508-A601 HydrophobicContact CE3-CB 4.32Å; W508-A601 PolarHBondContact O-N 2.8Å; V510-A601 PolarHBondContact N-O 2.67Å; V510-A601 VanDerWaalsContact N-O 3.07Å; L584-A601 HydrophobicContact CD2-CB 4.1Å; F598-A601 HydrophobicContact CZ-CB 4.15Å; A601-C609 WeakPolarHBondContact CA-O 3.43Å
602	C	84.8	Confident	84.5	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	123.8	168	-176.4	0	0	0	0	108.6	V510 I515 M608 C609	V510-C602 WeakPolarHBondContact O-CA 3.41Å; V510-C602 WeakPolarHBondContact O-CB 3.25Å; V510-C602 PolarHBondContact O-SG 2.63Å; I515-C602 HydrophobicContact CD1-CB 4.43Å; C602-M608 CarbonylContact O-C 3.5Å; C602-M608 WeakPolarHBondContact O-CA 2.99Å; C602-C609 PolarHBondContact N-O 3.02Å; C602-C609 PolarHBondContact O-N 2.93Å
603	L	80.1	Confident	84.4	Confident	22 Å²	22	34.7 Å²	34.7	12%	0.115	18%	0.181	C	C	.	.			trans	-115.4	16.5	-178	-60.1	178.7	0	0	0	112.2	W508 I569 I574 L576 P605 M608	W508-L603 HydrophobicContact CH2-CD1 3.61Å; W508-L603 HydrophobicContact CZ3-CD1 3.59Å; W508-L603 HydrophobicContact CZ3-CG 4.18Å; I569-L603 HydrophobicContact CD1-CD2 4.45Å; I574-L603 HydrophobicContact CD1-CD2 4.25Å; L576-L603 HydrophobicContact CD1-CD1 4.32Å; L576-L603 HydrophobicContact CD2-CD1 3.64Å; L576-L603 HydrophobicContact CG-CD1 4.26Å; L603-P605 WeakPolarHBondContact O-CD 3.44Å; L603-M608 HydrophobicContact CB-CE 3.98Å; L603-M608 HydrophobicContact CD2-CE 3.77Å; L603-M608 HydrophobicContact CG-CE 4.49Å
604	D	79.2	Confident	84.4	Confident	41 Å²	41	31.9 Å²	31.9	22%	0.219	17%	0.167	C	C	.	.			trans	-84.9	116.6	-175.4	-55.7	-40	0	0	0	109.7	R509 N607	R509-D604 IonicContact CZ-OD1 2.83Å; R509-D604 IonicContact NE-OD1 2.61Å; R509-D604 IonicContact NH2-OD1 2.87Å; R509-D604 PolarHBondContact NH2-OD1 2.81Å; D604-N607 CarbonylContact O-C 3.57Å; D604-N607 VanDerWaalsContact O-C 3.3Å; D604-N607 PolarHBondContact O-N 2.89Å
605	P	72.2	Confident	84.1	Confident	99 Å²	99	32 Å²	32	64%	0.643	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.7	140.5	178.4	-16.7	30.8	0	0	0	111	L603	L603-P605 WeakPolarHBondContact O-CD 3.44Å
606	P	71.4	Confident	83.3	Confident	122 Å²	122	33 Å²	33	79%	0.792	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.9	-2.6	6.3	35.2	-35.9	0	0	0	115.3	M608	P606-M608 PolarHBondContact O-N 2.68Å
607	N	74.1	Confident	82.8	Confident	56 Å²	56	37.7 Å²	37.7	30%	0.299	19%	0.193	S	C	.	.			trans	-102.7	69	-168.9	-63.4	-35.3	0	0	0	112	W512 D604	W512-N607 HydrophobicContact CD2-CB 3.63Å; W512-N607 VanDerWaalsContact CE2-ND2 3.33Å; W512-N607 HydrophobicContact CE3-CB 3.55Å; W512-N607 HydrophobicContact CG-CB 4.34Å; W512-N607 HydrophobicContact CH2-CB 3.83Å; W512-N607 HydrophobicContact CZ2-CB 3.92Å; W512-N607 HydrophobicContact CZ3-CB 3.67Å; W512-N607 PolarHBondContact NE1-ND2 3.36Å; D604-N607 CarbonylContact O-C 3.57Å; D604-N607 VanDerWaalsContact O-C 3.3Å; D604-N607 PolarHBondContact O-N 2.89Å
608	M	80.8	Confident	82.5	Confident	10 Å²	10	31 Å²	31	5%	0.049	17%	0.169	C	C	.	.			trans	-83.3	121.9	177.3	-54.7	-173.7	79.4	0	0	110.6	Y568 I569 I574 C602 L603 P606	Y568-M608 CarbonylContact C-O 3.57Å; Y568-M608 WeakPolarHBondContact CA-O 3.31Å; I569-M608 HydrophobicContact CB-CB 4.18Å; I569-M608 PolarHBondContact N-O 2.94Å; I574-M608 HydrophobicContact CB-CE 3.81Å; I574-M608 HydrophobicContact CD1-CE 3.31Å; I574-M608 HydrophobicContact CD1-SD 4.16Å; I574-M608 HydrophobicContact CG1-CE 3.47Å; I574-M608 VanDerWaalsContact CG1-CE 3.47Å; I574-M608 HydrophobicContact CG1-SD 4.16Å; C602-M608 CarbonylContact O-C 3.5Å; C602-M608 WeakPolarHBondContact O-CA 2.99Å; L603-M608 HydrophobicContact CB-CE 3.98Å; L603-M608 HydrophobicContact CD2-CE 3.77Å; L603-M608 HydrophobicContact CG-CE 4.49Å; P606-M608 PolarHBondContact O-N 2.68Å
609	C	84.8	Confident	82.5	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	153	-179	66.7	0	0	0	0	114.2	I566 K567 Y568 A601 C602	I566-C609 HydrophobicContact CG2-CB 3.68Å; K567-C609 CarbonylContact O-C 3.6Å; K567-C609 VanDerWaalsContact O-CA 3.23Å; K567-C609 WeakPolarHBondContact O-CA 3.06Å; K567-C609 WeakPolarHBondContact O-CB 3.44Å; Y568-C609 HydrophobicContact CD1-CB 4.34Å; A601-C609 WeakPolarHBondContact CA-O 3.43Å; C602-C609 PolarHBondContact N-O 3.02Å; C602-C609 PolarHBondContact O-N 2.93Å
610	I	87.4	Confident	82.5	Confident	5 Å²	5	28.7 Å²	28.7	3%	0.026	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	135	170.4	-63.8	172	0	0	0	108.1	K567 I569 F598 T612 L681 R685	K567-I610 PolarHBondContact N-O 3.46Å; K567-I610 PolarHBondContact O-N 3.22Å; I569-I610 HydrophobicContact CD1-CD1 4.18Å; I569-I610 HydrophobicContact CD1-CG1 3.87Å; I569-I610 HydrophobicContact CG1-CD1 4.23Å; I569-I610 HydrophobicContact CG1-CG1 4.11Å; F598-I610 HydrophobicContact CD2-CG2 4.24Å; F598-I610 HydrophobicContact CE2-CG2 3.86Å; I610-T612 HydrophobicContact CG2-CG2 4.18Å; I610-L681 HydrophobicContact CD1-CD1 4.07Å; I610-R685 HydrophobicContact CD1-CG 4.27Å
611	I	87.8	Confident	82.4	Confident	1 Å²	1	31.6 Å²	31.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.5	-177.9	-49.2	174.1	0	0	0	108.6	V510 I515 A564 A565 I599 G600	V510-I611 HydrophobicContact CB-CD1 3.92Å; V510-I611 HydrophobicContact CG1-CD1 3.63Å; V510-I611 HydrophobicContact CG2-CD1 4.14Å; I515-I611 HydrophobicContact CD1-CD1 3.52Å; I515-I611 HydrophobicContact CD1-CG1 4.46Å; I515-I611 HydrophobicContact CG1-CD1 4.09Å; A564-I611 HydrophobicContact CB-CG2 3.55Å; A565-I611 WeakPolarHBondContact O-CA 3.38Å; I599-I611 HydrophobicContact CB-CB 4.38Å; I599-I611 HydrophobicContact CB-CG2 4.05Å; I599-I611 HydrophobicContact CD1-CG2 4.23Å; I599-I611 HydrophobicContact CG2-CG2 4.22Å; I599-I611 PolarHBondContact N-O 2.86Å; G600-I611 PolarHBondContact N-O 2.97Å; G600-I611 PolarHBondContact O-N 3.03Å
612	T	88.5	Confident	82.2	Confident	18 Å²	18	34.1 Å²	34.1	11%	0.11	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	166.5	175.3	56.6	0	0	0	0	109.9	A565 R597 F598 I610	A565-T612 PolarHBondContact N-O 3.49Å; A565-T612 PolarHBondContact O-N 3.31Å; A565-T612 VanDerWaalsContact O-N 3.09Å; R597-T612 WeakPolarHBondContact O-CA 3.43Å; F598-T612 HydrophobicContact CD2-CG2 4.47Å; I610-T612 HydrophobicContact CG2-CG2 4.18Å
613	E	87.3	Confident	82.1	Confident	43 Å²	43	34.3 Å²	34.3	20%	0.201	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	145.7	170.3	66.9	-177.8	-166.7	0	0	111.8	T596 R597 K675	T596-E613 VanDerWaalsContact CA-OE1 3.3Å; T596-E613 WeakPolarHBondContact CA-OE1 3.42Å; T596-E613 HydrophobicContact CG2-CG 4.37Å; R597-E613 HydrophobicContact CB-CB 4.43Å; R597-E613 HydrophobicContact CB-CG 4.21Å; R597-E613 VanDerWaalsContact CB-OE2 3.27Å; R597-E613 WeakPolarHBondContact CB-OE2 3.41Å; R597-E613 PolarHBondContact N-OE1 2.86Å; R597-E613 PolarHBondContact O-N 2.85Å; E613-K675 WeakPolarHBondContact OE1-CD 3.2Å; E613-K675 IonicContact OE1-NZ 3.85Å; E613-K675 PolarHBondContact OE1-NZ 2.93Å; E613-K675 IonicContact OE2-NZ 2.76Å
614	Y	84.9	Confident	82.1	Confident	35 Å²	35	35.2 Å²	35.2	14%	0.137	19%	0.191	C	C	.	.			trans	-94.8	128.1	177.8	177.3	-109	0	0	0	110.9	Q551 Y553 T554 T556 L563 A565 P616	Q551-Y614 PolarHBondContact O-OH 2.93Å; Y553-Y614 PolarHBondContact N-OH 2.84Å; T554-Y614 HydrophobicContact CG2-CD2 3.99Å; T554-Y614 HydrophobicContact CG2-CE2 3.89Å; T556-Y614 HydrophobicContact CG2-CD1 4.39Å; T556-Y614 HydrophobicContact CG2-CD2 3.54Å; T556-Y614 HydrophobicContact CG2-CE1 4.39Å; T556-Y614 HydrophobicContact CG2-CE2 3.57Å; T556-Y614 HydrophobicContact CG2-CG 3.98Å; L563-Y614 HydrophobicContact CD2-CD1 3.49Å; L563-Y614 VanDerWaalsContact CD2-CD1 3.49Å; L563-Y614 HydrophobicContact CD2-CE1 3.87Å; L563-Y614 HydrophobicContact CD2-CG 4.3Å; L563-Y614 HydrophobicContact CG-CD1 4.04Å; L563-Y614 HydrophobicContact CG-CG 4.39Å; A565-Y614 HydrophobicContact CB-CD2 4.24Å; Y614-P616 HydrophobicContact CD1-CB 4.46Å; Y614-P616 HydrophobicContact CE1-CB 3.93Å
615	C	84	Confident	81.9	Confident	13 Å²	13	39.5 Å²	39.5	9%	0.088	21%	0.209	C	C	.	.			trans	-101.2	110.4	176.4	-73.4	0	0	0	0	109.4	R617 G618 V667 V668	C615-R617 VanDerWaalsContact C-N 3.31Å; C615-R617 PolarHBondContact O-N 2.94Å; C615-G618 PolarHBondContact O-N 3.4Å; C615-V667 HydrophobicContact CB-CB 3.81Å; C615-V667 HydrophobicContact CB-CG2 3.92Å; C615-V667 VanDerWaalsContact SG-CG2 3.54Å; C615-V668 VanDerWaalsContact CB-O 3.32Å; C615-V668 WeakPolarHBondContact CB-O 3.37Å
616	P	75.1	Confident	81.8	Confident	24 Å²	24	36.7 Å²	36.7	16%	0.156	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-13.5	-167.9	28.1	-35.8	0	0	0	115.2	F550 Y553 Y614	F550-P616 HydrophobicContact CD1-CB 4.28Å; F550-P616 HydrophobicContact CE1-CB 4.29Å; Y553-P616 WeakPolarHBondContact CE2-O 3.29Å; Y614-P616 HydrophobicContact CD1-CB 4.46Å; Y614-P616 HydrophobicContact CE1-CB 3.93Å
617	R	78.7	Confident	81.2	Confident	100 Å²	100	39.3 Å²	39.3	38%	0.377	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.6	179.5	-60.4	-68.3	-173.7	-177.1	-1.4	113.6	C615 V668 D669	C615-R617 VanDerWaalsContact C-N 3.31Å; C615-R617 PolarHBondContact O-N 2.94Å; R617-V668 HydrophobicContact CB-CB 3.92Å; R617-V668 HydrophobicContact CB-CG1 3.98Å; R617-V668 WeakPolarHBondContact CB-O 3.46Å; R617-V668 HydrophobicContact CG-CG1 4.36Å; R617-V668 PolarHBondContact N-O 3.5Å; R617-D669 WeakPolarHBondContact CG-O 3.22Å
618	G	82.9	Confident	80.3	Confident	4 Å²	4	40.2 Å²	40.2	4%	0.041	22%	0.222	C	C	.	.			trans	76.8	-163.5	178.5	0	0	0	0	0	113	Y553 C615 V667 V668	Y553-G618 VanDerWaalsContact CD2-CA 3.46Å; C615-G618 PolarHBondContact O-N 3.4Å; G618-V667 WeakPolarHBondContact O-CA 3.35Å; G618-V668 PolarHBondContact O-N 2.84Å
619	S	88.3	Confident	79.4	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.063	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-86.7	165.7	176.4	72.3	0	0	0	0	112.3	Q621 D622 L623 C666	S619-Q621 PolarHBondContact O-N 2.9Å; S619-D622 VanDerWaalsContact CB-OD2 3.32Å; S619-D622 WeakPolarHBondContact CB-OD2 3.34Å; S619-D622 PolarHBondContact N-OD2 2.83Å; S619-D622 WeakPolarHBondContact O-CB 3.38Å; S619-D622 PolarHBondContact O-N 3.29Å; S619-D622 VanDerWaalsContact OG-CG 3.23Å; S619-D622 PolarHBondContact OG-N 3.17Å; S619-D622 PolarHBondContact OG-OD2 3.46Å; S619-L623 PolarHBondContact O-N 3.41Å; S619-C666 CarbonylContact C-O 3.47Å; S619-C666 VanDerWaalsContact CA-O 3.27Å; S619-C666 WeakPolarHBondContact CA-O 3.17Å
620	L	86.8	Confident	78.7	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-35.3	175	-177.5	62.1	0	0	0	111.3	L623 M624 L639 I643 S663 C666 L674 I729 V733	L620-L623 PolarHBondContact O-N 3.12Å; L620-M624 HydrophobicContact CG-SD 4.22Å; L620-M624 WeakPolarHBondContact O-CG 3.09Å; L620-M624 PolarHBondContact O-N 3.26Å; L620-L639 HydrophobicContact CD1-CD1 3.85Å; L620-I643 HydrophobicContact CD2-CD1 4.27Å; L620-S663 WeakPolarHBondContact CB-O 3.12Å; L620-C666 HydrophobicContact CB-CB 3.99Å; L620-C666 HydrophobicContact CD2-CB 4.33Å; L620-C666 PolarHBondContact N-O 3.29Å; L620-L674 HydrophobicContact CD1-CD1 4.48Å; L620-L674 HydrophobicContact CD2-CD1 4.4Å; L620-I729 HydrophobicContact CD2-CG2 3.89Å; L620-V733 HydrophobicContact CD1-CG2 4.33Å; L620-V733 HydrophobicContact CD2-CG2 3.73Å; L620-V733 HydrophobicContact CG-CG2 4.37Å
621	Q	84.9	Confident	78.1	Confident	61 Å²	61	49.2 Å²	49.2	29%	0.285	28%	0.275	S	S	.	.	H	α-helix	trans	-64.1	-45.6	174.3	-171.4	179.7	-12.2	0	0	111.4	S619 L623 M624 E625	S619-Q621 PolarHBondContact O-N 2.9Å; Q621-L623 VanDerWaalsContact C-N 3.29Å; Q621-L623 PolarHBondContact O-N 2.98Å; Q621-M624 PolarHBondContact O-N 2.84Å; Q621-E625 PolarHBondContact NE2-OE1 3.22Å; Q621-E625 VanDerWaalsContact NE2-OE1 3.16Å; Q621-E625 WeakPolarHBondContact O-CG 3.23Å; Q621-E625 PolarHBondContact O-N 2.96Å; Q621-E625 VanDerWaalsContact O-N 3.11Å
622	D	83.3	Confident	77.7	Confident	52 Å²	52	53.3 Å²	53.3	28%	0.278	30%	0.296	S	S	.	.	H	α-helix	trans	-63.8	-36.7	177.8	-54.4	-53.9	0	0	0	111.6	Y553 S619 E625 S626	Y553-D622 HydrophobicContact CD1-CB 4.03Å; Y553-D622 HydrophobicContact CE1-CB 3.93Å; S619-D622 VanDerWaalsContact CB-OD2 3.32Å; S619-D622 WeakPolarHBondContact CB-OD2 3.34Å; S619-D622 PolarHBondContact N-OD2 2.83Å; S619-D622 WeakPolarHBondContact O-CB 3.38Å; S619-D622 PolarHBondContact O-N 3.29Å; S619-D622 VanDerWaalsContact OG-CG 3.23Å; S619-D622 PolarHBondContact OG-N 3.17Å; S619-D622 PolarHBondContact OG-OD2 3.46Å; D622-E625 PolarHBondContact O-N 3.47Å; D622-S626 PolarHBondContact O-N 2.97Å
623	L	81.1	Confident	77.3	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-66.8	-38.3	178.2	-172.8	65.5	0	0	0	112	S619 L620 Q621 S626 I629 L631 F635 L639 V668	S619-L623 PolarHBondContact O-N 3.41Å; L620-L623 PolarHBondContact O-N 3.12Å; Q621-L623 VanDerWaalsContact C-N 3.29Å; Q621-L623 PolarHBondContact O-N 2.98Å; L623-S626 PolarHBondContact O-N 2.86Å; L623-S626 PolarHBondContact O-OG 3.38Å; L623-I629 HydrophobicContact CD1-CB 4.48Å; L623-I629 HydrophobicContact CD1-CD1 3.54Å; L623-L631 HydrophobicContact CD2-CD2 4.01Å; L623-L631 HydrophobicContact CG-CD2 4.1Å; L623-F635 HydrophobicContact CD2-CE1 4.12Å; L623-L639 HydrophobicContact CD2-CD1 4.13Å; L623-V668 HydrophobicContact CD2-CG2 4.35Å
624	M	79.9	Confident	76.7	Confident	41 Å²	41	56.2 Å²	56.2	20%	0.202	31%	0.309	C	S	.	.	H	α-helix	trans	-72.2	-29.7	177	-68.6	168.6	60.6	0	0	113.1	L620 Q621 S626 L631 E732 L736	L620-M624 HydrophobicContact CG-SD 4.22Å; L620-M624 WeakPolarHBondContact O-CG 3.09Å; L620-M624 PolarHBondContact O-N 3.26Å; Q621-M624 PolarHBondContact O-N 2.84Å; M624-S626 VanDerWaalsContact C-N 3.31Å; M624-L631 HydrophobicContact CG-CD1 4.2Å; M624-E732 HydrophobicContact CE-CB 3.96Å; M624-E732 WeakPolarHBondContact CE-O 3.32Å; M624-E732 HydrophobicContact SD-CB 4.37Å; M624-L736 HydrophobicContact CE-CD2 4.18Å; M624-L736 HydrophobicContact CG-CD2 4Å
625	E	76.4	Confident	76.2	Confident	131 Å²	131	56.6 Å²	56.6	61%	0.612	31%	0.311	S	S	*	.	H	α-helix	trans	-81.5	-10	176.1	-69.4	175.8	-164.6	0	0	112.6	Q621 D622	Q621-E625 PolarHBondContact NE2-OE1 3.22Å; Q621-E625 VanDerWaalsContact NE2-OE1 3.16Å; Q621-E625 WeakPolarHBondContact O-CG 3.23Å; Q621-E625 PolarHBondContact O-N 2.96Å; Q621-E625 VanDerWaalsContact O-N 3.11Å; D622-E625 PolarHBondContact O-N 3.47Å
626	S	70.3	Confident	76.2	Confident	39 Å²	39	58.2 Å²	58.2	27%	0.273	32%	0.315	S	S	.	.			trans	-85.1	122.6	-178.1	76.8	0	0	0	0	113	D622 L623 M624 G628	D622-S626 PolarHBondContact O-N 2.97Å; L623-S626 PolarHBondContact O-N 2.86Å; L623-S626 PolarHBondContact O-OG 3.38Å; M624-S626 VanDerWaalsContact C-N 3.31Å; S626-G628 PolarHBondContact O-N 2.92Å
627	D	58	Low	76.5	Confident	177 Å²	177	58 Å²	58	95%	0.947	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-7.1	176.5	-70.1	-34.6	0	0	0	113.7
628	G	54.7	Low	76.7	Confident	75 Å²	75	55 Å²	55	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-14.5	-171	0	0	0	0	0	115.7	S626	S626-G628 PolarHBondContact O-N 2.92Å
629	I	63.5	Low	76.9	Confident	54 Å²	54	54.8 Å²	54.8	28%	0.277	30%	0.304	S	S	.	.			trans	-127.9	116.3	-174.2	-62	169.7	0	0	0	109.7	L623 L631 F672	L623-I629 HydrophobicContact CD1-CB 4.48Å; L623-I629 HydrophobicContact CD1-CD1 3.54Å; I629-L631 HydrophobicContact CG2-CD2 4.1Å; I629-L631 PolarHBondContact O-N 3.22Å; I629-F672 HydrophobicContact CD1-CE1 4.1Å; I629-F672 HydrophobicContact CD1-CZ 4.38Å
630	T	69.9	Low	76.9	Confident	136 Å²	136	54.5 Å²	54.5	83%	0.834	30%	0.302	S	S	*	.			trans	-77.1	104.8	173.4	54.4	0	0	0	0	109.9	D632	T630-D632 PolarHBondContact O-N 3.3Å
631	L	74.5	Confident	77	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.079	31%	0.314	C	S	.	.			trans	-75.5	89.8	175.6	-59	174.6	0	0	0	109.5	L623 M624 I629 F635 R636 L736	L623-L631 HydrophobicContact CD2-CD2 4.01Å; L623-L631 HydrophobicContact CG-CD2 4.1Å; M624-L631 HydrophobicContact CG-CD1 4.2Å; I629-L631 HydrophobicContact CG2-CD2 4.1Å; I629-L631 PolarHBondContact O-N 3.22Å; L631-F635 HydrophobicContact CD2-CD1 3.33Å; L631-F635 HydrophobicContact CD2-CE1 3.33Å; L631-R636 HydrophobicContact CB-CG 4.1Å; L631-R636 PolarHBondContact O-NE 3.42Å; L631-R636 PolarHBondContact O-NH2 3.37Å; L631-L736 HydrophobicContact CB-CD1 4.26Å; L631-L736 HydrophobicContact CD1-CD1 4.4Å; L631-L736 HydrophobicContact CD1-CD2 3.66Å
632	D	79.1	Confident	77.2	Confident	86 Å²	86	54 Å²	54	46%	0.46	30%	0.303	S	S	.	.			trans	-71.9	167	170.9	75.2	4	0	0	0	111.3	T630 M634 F635 R636	T630-D632 PolarHBondContact O-N 3.3Å; D632-M634 PolarHBondContact O-N 3.47Å; D632-M634 PolarHBondContact OD1-N 3.37Å; D632-F635 PolarHBondContact O-N 3.45Å; D632-F635 WeakPolarHBondContact OD1-CB 3.04Å; D632-F635 PolarHBondContact OD1-N 3.08Å; D632-R636 VanDerWaalsContact O-CG 3.29Å; D632-R636 WeakPolarHBondContact O-CG 3.48Å; D632-R636 PolarHBondContact O-N 2.95Å
633	W	79.3	Confident	77.6	Confident	31 Å²	31	51.6 Å²	51.6	12%	0.117	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-27.1	-173	-159.4	-117.9	0	0	0	113.5	R636 Y637 A734 H773 L777	W633-R636 HydrophobicContact CE3-CB 4.14Å; W633-R636 HydrophobicContact CE3-CG 4.42Å; W633-R636 HydrophobicContact CZ3-CB 4.5Å; W633-R636 PolarHBondContact O-N 3.16Å; W633-Y637 AromaticContact CD1-CD2 3.42Å; W633-Y637 VanDerWaalsContact CD1-CD2 3.42Å; W633-Y637 AromaticContact CD1-CE2 3.12Å; W633-Y637 AromaticContact CE2-CE2 3.87Å; W633-Y637 HydrophobicContact CG-CD2 4.18Å; W633-Y637 HydrophobicContact CG-CE2 4.19Å; W633-Y637 AromaticContact NE1-CD2 3.54Å; W633-Y637 AromaticContact NE1-CE2 2.88Å; W633-Y637 AromaticContact NE1-CZ 3.36Å; W633-Y637 WeakPolarHBondContact O-CB 3.42Å; W633-Y637 VanDerWaalsContact O-CD2 3.27Å; W633-Y637 WeakPolarHBondContact O-CD2 3.48Å; W633-Y637 PolarHBondContact O-N 2.91Å; W633-A734 HydrophobicContact CH2-CB 3.91Å; W633-A734 HydrophobicContact CZ3-CB 4.41Å; W633-H773 AromaticContact CD1-CD2 3.1Å; W633-H773 AromaticContact CD1-CE1 3.2Å; W633-H773 AromaticContact CD1-CG 3.23Å; W633-H773 AromaticContact CD1-ND1 3.31Å; W633-H773 VanDerWaalsContact CD1-ND1 3.31Å; W633-H773 AromaticContact CD1-NE2 3.08Å; W633-H773 HydrophobicContact CD2-CB 4.02Å; W633-H773 AromaticContact CD2-CD2 3.81Å; W633-H773 AromaticContact CD2-CG 3.92Å; W633-H773 VanDerWaalsContact CE2-CB 3.49Å; W633-H773 AromaticContact CE2-CD2 3.97Å; W633-H773 AromaticContact CE2-CG 3.58Å; W633-H773 HydrophobicContact CG-CB 4.33Å; W633-H773 AromaticContact CG-CD2 3.24Å; W633-H773 AromaticContact CG-CG 3.69Å; W633-H773 AromaticContact CG-NE2 3.52Å; W633-H773 HydrophobicContact CZ2-CB 3.75Å; W633-H773 AromaticContact NE1-CD2 3.5Å; W633-H773 AromaticContact NE1-CE1 3.61Å; W633-H773 AromaticContact NE1-CG 3.09Å; W633-H773 AromaticContact NE1-ND1 3.19Å; W633-H773 PolarHBondContact NE1-ND1 3.45Å; W633-H773 VanDerWaalsContact NE1-ND1 3.19Å; W633-H773 AromaticContact NE1-NE2 3.8Å; W633-L777 HydrophobicContact CH2-CD2 3.86Å; W633-L777 HydrophobicContact CZ2-CD2 3.4Å; W633-L777 VanDerWaalsContact CZ2-CD2 3.4Å
634	M	74.3	Confident	78.2	Confident	92 Å²	92	51.5 Å²	51.5	45%	0.453	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-46.9	176.5	-171.8	165	158.8	0	0	110.8	D632 Y637 S638 L814	D632-M634 PolarHBondContact O-N 3.47Å; D632-M634 PolarHBondContact OD1-N 3.37Å; M634-Y637 PolarHBondContact O-N 2.86Å; M634-S638 PolarHBondContact O-N 3.28Å; M634-L814 HydrophobicContact CE-CB 3.95Å; M634-L814 HydrophobicContact CE-CD1 3.02Å; M634-L814 HydrophobicContact CE-CD2 3.38Å; M634-L814 HydrophobicContact CE-CG 3.54Å; M634-L814 HydrophobicContact CG-CD2 3.51Å; M634-L814 HydrophobicContact SD-CD2 4.06Å
635	F	76.1	Confident	78.7	Confident	42 Å²	42	53.2 Å²	53.2	18%	0.184	30%	0.295	C	S	.	.	H	α-helix	trans	-66.4	-40.5	174.6	-169.6	-104.3	0	0	0	111.9	L623 L631 D632 Y637 S638 L639 F672	L623-F635 HydrophobicContact CD2-CE1 4.12Å; L631-F635 HydrophobicContact CD2-CD1 3.33Å; L631-F635 HydrophobicContact CD2-CE1 3.33Å; D632-F635 PolarHBondContact O-N 3.45Å; D632-F635 WeakPolarHBondContact OD1-CB 3.04Å; D632-F635 PolarHBondContact OD1-N 3.08Å; F635-Y637 PolarHBondContact O-N 3.32Å; F635-S638 VanDerWaalsContact O-CB 3.32Å; F635-S638 WeakPolarHBondContact O-CB 2.96Å; F635-S638 PolarHBondContact O-N 3.11Å; F635-S638 VanDerWaalsContact O-N 3.17Å; F635-L639 HydrophobicContact CD1-CD1 4.07Å; F635-L639 HydrophobicContact CE1-CD1 3.76Å; F635-L639 HydrophobicContact CE1-CD2 4.49Å; F635-L639 HydrophobicContact CE1-CG 4.25Å; F635-L639 HydrophobicContact CZ-CD1 4.46Å; F635-L639 HydrophobicContact CZ-CD2 4.41Å; F635-L639 WeakPolarHBondContact O-CG 3.26Å; F635-L639 PolarHBondContact O-N 3.48Å; F635-L639 VanDerWaalsContact O-N 3.11Å; F635-F672 HydrophobicContact CE2-CB 3.79Å; F635-F672 AromaticContact CE2-CD1 3.94Å; F635-F672 HydrophobicContact CE2-CD1 3.94Å; F635-F672 AromaticContact CE2-CG 3.95Å; F635-F672 HydrophobicContact CE2-CG 3.95Å; F635-F672 HydrophobicContact CZ-CB 3.99Å; F635-F672 AromaticContact CZ-CD1 3.46Å; F635-F672 HydrophobicContact CZ-CD1 3.46Å; F635-F672 VanDerWaalsContact CZ-CD1 3.46Å; F635-F672 HydrophobicContact CZ-CE1 4.1Å; F635-F672 AromaticContact CZ-CG 3.94Å; F635-F672 HydrophobicContact CZ-CG 3.94Å
636	R	82.6	Confident	79.5	Confident	48 Å²	48	47 Å²	47	18%	0.181	27%	0.266	C	S	.	.	H	α-helix	trans	-59.6	-43.5	173.7	-70.7	-174.1	-132.9	-178.3	-4.1	112.4	L631 D632 W633 S638 L639 I640 V733 A734 L736	L631-R636 HydrophobicContact CB-CG 4.1Å; L631-R636 PolarHBondContact O-NE 3.42Å; L631-R636 PolarHBondContact O-NH2 3.37Å; D632-R636 VanDerWaalsContact O-CG 3.29Å; D632-R636 WeakPolarHBondContact O-CG 3.48Å; D632-R636 PolarHBondContact O-N 2.95Å; W633-R636 HydrophobicContact CE3-CB 4.14Å; W633-R636 HydrophobicContact CE3-CG 4.42Å; W633-R636 HydrophobicContact CZ3-CB 4.5Å; W633-R636 PolarHBondContact O-N 3.16Å; R636-S638 VanDerWaalsContact C-N 3.33Å; R636-S638 PolarHBondContact O-N 3.32Å; R636-L639 PolarHBondContact O-N 2.68Å; R636-I640 WeakPolarHBondContact O-CD1 3.32Å; R636-I640 VanDerWaalsContact O-CG1 3.24Å; R636-I640 WeakPolarHBondContact O-CG1 3.32Å; R636-I640 PolarHBondContact O-N 3.18Å; R636-V733 HydrophobicContact CB-CG1 3.75Å; R636-V733 VanDerWaalsContact CD-O 3.24Å; R636-V733 WeakPolarHBondContact CD-O 3.45Å; R636-V733 HydrophobicContact CG-CG1 3.88Å; R636-A734 PolarHBondContact NH1-O 3.26Å; R636-A734 VanDerWaalsContact NH1-O 3.08Å; R636-L736 VanDerWaalsContact NH2-CD1 3.33Å
637	Y	82.8	Confident	80.6	Confident	18 Å²	18	45.1 Å²	45.1	7%	0.071	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-34.3	175.2	-90	-58.2	0	0	0	113.6	W633 M634 F635 I640 T641 L777 L802 H806	W633-Y637 AromaticContact CD1-CD2 3.42Å; W633-Y637 VanDerWaalsContact CD1-CD2 3.42Å; W633-Y637 AromaticContact CD1-CE2 3.12Å; W633-Y637 AromaticContact CE2-CE2 3.87Å; W633-Y637 HydrophobicContact CG-CD2 4.18Å; W633-Y637 HydrophobicContact CG-CE2 4.19Å; W633-Y637 AromaticContact NE1-CD2 3.54Å; W633-Y637 AromaticContact NE1-CE2 2.88Å; W633-Y637 AromaticContact NE1-CZ 3.36Å; W633-Y637 WeakPolarHBondContact O-CB 3.42Å; W633-Y637 VanDerWaalsContact O-CD2 3.27Å; W633-Y637 WeakPolarHBondContact O-CD2 3.48Å; W633-Y637 PolarHBondContact O-N 2.91Å; M634-Y637 PolarHBondContact O-N 2.86Å; F635-Y637 PolarHBondContact O-N 3.32Å; Y637-I640 HydrophobicContact CD1-CD1 4.38Å; Y637-I640 PolarHBondContact O-N 3.43Å; Y637-T641 VanDerWaalsContact O-CB 3.29Å; Y637-T641 WeakPolarHBondContact O-CB 3.35Å; Y637-T641 PolarHBondContact O-N 2.99Å; Y637-T641 PolarHBondContact O-OG1 3.29Å; Y637-L777 HydrophobicContact CE1-CD1 4.37Å; Y637-L777 HydrophobicContact CE1-CD2 4.48Å; Y637-L802 HydrophobicContact CE1-CD2 4.43Å; Y637-H806 VanDerWaalsContact CB-CE1 3.4Å; Y637-H806 WeakPolarHBondContact CB-CE1 3.45Å; Y637-H806 AromaticContact CD1-CE1 4Å; Y637-H806 AromaticContact CD2-CE1 3.46Å; Y637-H806 VanDerWaalsContact CD2-CE1 3.46Å; Y637-H806 WeakPolarHBondContact CD2-CE1 3.48Å; Y637-H806 AromaticContact CG-CE1 3.39Å; Y637-H806 AromaticContact CG-ND1 3.88Å
638	S	82.8	Confident	82.3	Confident	37 Å²	37	37 Å²	37	26%	0.259	21%	0.211	S	C	.	.	H	α-helix	trans	-58.3	-50.8	172.6	-168.5	0	0	0	0	110.5	M634 F635 R636 I640 T641 D642	M634-S638 PolarHBondContact O-N 3.28Å; F635-S638 VanDerWaalsContact O-CB 3.32Å; F635-S638 WeakPolarHBondContact O-CB 2.96Å; F635-S638 PolarHBondContact O-N 3.11Å; F635-S638 VanDerWaalsContact O-N 3.17Å; R636-S638 VanDerWaalsContact C-N 3.33Å; R636-S638 PolarHBondContact O-N 3.32Å; S638-I640 PolarHBondContact O-N 2.83Å; S638-T641 PolarHBondContact O-N 2.87Å; S638-T641 VanDerWaalsContact O-N 3.16Å; S638-D642 PolarHBondContact O-N 3.48Å
639	L	86.9	Confident	84.1	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-42.8	178.6	-61.5	173.6	0	0	0	112.1	L620 L623 F635 R636 T641 D642 I643 V668 L674	L620-L639 HydrophobicContact CD1-CD1 3.85Å; L623-L639 HydrophobicContact CD2-CD1 4.13Å; F635-L639 HydrophobicContact CD1-CD1 4.07Å; F635-L639 HydrophobicContact CE1-CD1 3.76Å; F635-L639 HydrophobicContact CE1-CD2 4.49Å; F635-L639 HydrophobicContact CE1-CG 4.25Å; F635-L639 HydrophobicContact CZ-CD1 4.46Å; F635-L639 HydrophobicContact CZ-CD2 4.41Å; F635-L639 WeakPolarHBondContact O-CG 3.26Å; F635-L639 PolarHBondContact O-N 3.48Å; F635-L639 VanDerWaalsContact O-N 3.11Å; R636-L639 PolarHBondContact O-N 2.68Å; L639-T641 VanDerWaalsContact C-N 3.32Å; L639-T641 PolarHBondContact O-N 2.69Å; L639-D642 PolarHBondContact O-N 3.34Å; L639-I643 VanDerWaalsContact O-CG1 3.32Å; L639-I643 WeakPolarHBondContact O-CG1 3.26Å; L639-I643 PolarHBondContact O-N 2.96Å; L639-I643 VanDerWaalsContact O-N 3.08Å; L639-V668 HydrophobicContact CD2-CG2 4.38Å; L639-L674 HydrophobicContact CB-CD1 4.05Å; L639-L674 HydrophobicContact CD2-CB 3.98Å; L639-L674 HydrophobicContact CD2-CD1 4.05Å
640	I	88.5	Confident	85.4	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-61	-43.2	176	-67.5	160.5	0	0	0	110.8	R636 Y637 S638 I643 V644 F726 L730 V733 L802	R636-I640 WeakPolarHBondContact O-CD1 3.32Å; R636-I640 VanDerWaalsContact O-CG1 3.24Å; R636-I640 WeakPolarHBondContact O-CG1 3.32Å; R636-I640 PolarHBondContact O-N 3.18Å; Y637-I640 HydrophobicContact CD1-CD1 4.38Å; Y637-I640 PolarHBondContact O-N 3.43Å; S638-I640 PolarHBondContact O-N 2.83Å; I640-I643 PolarHBondContact O-N 2.76Å; I640-V644 WeakPolarHBondContact O-CG2 3.5Å; I640-V644 PolarHBondContact O-N 3.39Å; I640-V644 VanDerWaalsContact O-N 3.13Å; I640-F726 HydrophobicContact CG2-CE2 4.39Å; I640-F726 HydrophobicContact CG2-CZ 3.99Å; I640-L730 HydrophobicContact CB-CD1 4.45Å; I640-L730 HydrophobicContact CD1-CD1 3.45Å; I640-L730 VanDerWaalsContact CD1-CD1 3.45Å; I640-L730 HydrophobicContact CG1-CD1 3.7Å; I640-L730 HydrophobicContact CG2-CD1 3.85Å; I640-V733 HydrophobicContact CD1-CG1 4.02Å; I640-V733 HydrophobicContact CG1-CG1 4.11Å; I640-L802 HydrophobicContact CG2-CD1 3.85Å; I640-L802 HydrophobicContact CG2-CD2 4.39Å
641	T	87.8	Confident	86.4	Confident	44 Å²	44	28.5 Å²	28.5	27%	0.27	14%	0.139	S	C	.	.	H	α-helix	trans	-65.9	-39.7	-179.3	-60.7	0	0	0	0	111.4	Y637 S638 L639 V644 K645	Y637-T641 VanDerWaalsContact O-CB 3.29Å; Y637-T641 WeakPolarHBondContact O-CB 3.35Å; Y637-T641 PolarHBondContact O-N 2.99Å; Y637-T641 PolarHBondContact O-OG1 3.29Å; S638-T641 PolarHBondContact O-N 2.87Å; S638-T641 VanDerWaalsContact O-N 3.16Å; L639-T641 VanDerWaalsContact C-N 3.32Å; L639-T641 PolarHBondContact O-N 2.69Å; T641-V644 PolarHBondContact O-N 3.14Å; T641-K645 HydrophobicContact CG2-CD 4.36Å; T641-K645 WeakPolarHBondContact O-CG 3.27Å; T641-K645 PolarHBondContact O-N 3.35Å
642	D	89.4	Confident	87.1	Confident	9 Å²	9	33.3 Å²	33.3	5%	0.048	17%	0.166	C	C	.	.	H	α-helix	trans	-66.8	-41.1	178.1	-71.8	-11.2	0	0	0	112.1	H594 S638 L639 V644 K645 G646 L674	H594-D642 VanDerWaalsContact CE1-CG 3.49Å; H594-D642 IonicContact CE1-OD1 2.76Å; H594-D642 PolarHBondContact CE1-OD1 3.07Å; H594-D642 IonicContact ND1-OD1 3.6Å; H594-D642 IonicContact NE2-OD1 3.99Å; S638-D642 PolarHBondContact O-N 3.48Å; L639-D642 PolarHBondContact O-N 3.34Å; D642-V644 VanDerWaalsContact C-N 3.3Å; D642-V644 PolarHBondContact O-N 3.48Å; D642-K645 PolarHBondContact O-N 3.07Å; D642-K645 IonicContact OD1-NZ 2.61Å; D642-G646 PolarHBondContact O-N 3.07Å; D642-L674 HydrophobicContact CB-CB 3.86Å; D642-L674 PolarHBondContact OD2-N 3.29Å
643	I	93	Very high	87.5	Confident	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-57.8	-45.8	172	-63.7	164.1	0	0	0	110.4	L620 L639 I640 G646 M647 L674 F726 I729	L620-I643 HydrophobicContact CD2-CD1 4.27Å; L639-I643 VanDerWaalsContact O-CG1 3.32Å; L639-I643 WeakPolarHBondContact O-CG1 3.26Å; L639-I643 PolarHBondContact O-N 2.96Å; L639-I643 VanDerWaalsContact O-N 3.08Å; I640-I643 PolarHBondContact O-N 2.76Å; I643-G646 PolarHBondContact O-N 2.94Å; I643-M647 HydrophobicContact CG2-CG 4.26Å; I643-M647 WeakPolarHBondContact O-CB 3.44Å; I643-M647 WeakPolarHBondContact O-CG 3.27Å; I643-M647 PolarHBondContact O-N 3.42Å; I643-L674 HydrophobicContact CB-CD2 4.44Å; I643-L674 HydrophobicContact CD1-CD1 3.82Å; I643-L674 HydrophobicContact CD1-CD2 4.42Å; I643-L674 HydrophobicContact CG1-CD1 3.63Å; I643-L674 HydrophobicContact CG1-CD2 3.4Å; I643-L674 VanDerWaalsContact CG1-CD2 3.4Å; I643-L674 HydrophobicContact CG1-CG 4.15Å; I643-F726 HydrophobicContact CB-CD2 4.5Å; I643-F726 HydrophobicContact CB-CE2 4.2Å; I643-F726 HydrophobicContact CG2-CD2 3.64Å; I643-F726 HydrophobicContact CG2-CE2 3.82Å; I643-I729 HydrophobicContact CD1-CG2 4.05Å
644	V	93.1	Very high	87.7	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-65.7	-41.1	-178.8	170.6	0	0	0	0	111.7	I640 T641 D642 A648 F726 F795 I798 K799 L802	I640-V644 WeakPolarHBondContact O-CG2 3.5Å; I640-V644 PolarHBondContact O-N 3.39Å; I640-V644 VanDerWaalsContact O-N 3.13Å; T641-V644 PolarHBondContact O-N 3.14Å; D642-V644 VanDerWaalsContact C-N 3.3Å; D642-V644 PolarHBondContact O-N 3.48Å; V644-A648 WeakPolarHBondContact O-CB 3.42Å; V644-A648 PolarHBondContact O-N 2.69Å; V644-F726 HydrophobicContact CG2-CE1 4.13Å; V644-F726 HydrophobicContact CG2-CE2 3.72Å; V644-F726 HydrophobicContact CG2-CZ 3.39Å; V644-F795 HydrophobicContact CG1-CD1 4.38Å; V644-F795 HydrophobicContact CG2-CD1 4.31Å; V644-I798 HydrophobicContact CG1-CG2 4.24Å; V644-I798 HydrophobicContact CG2-CG2 3.79Å; V644-K799 HydrophobicContact CG1-CB 3.75Å; V644-K799 HydrophobicContact CG1-CG 4.42Å; V644-L802 HydrophobicContact CB-CD1 4.48Å; V644-L802 HydrophobicContact CG2-CD1 3.78Å
645	K	91	Very high	88.1	Confident	77 Å²	77	30.6 Å²	30.6	34%	0.335	16%	0.16	S	C	.	.	H	α-helix	trans	-63.5	-45.6	175.7	-71.5	171.5	-176.4	164.3	0	111.4	H594 T641 D642 F649	H594-K645 VanDerWaalsContact CD2-CB 3.46Å; H594-K645 WeakPolarHBondContact CD2-CB 3.06Å; H594-K645 WeakPolarHBondContact NE2-CD 3.38Å; T641-K645 HydrophobicContact CG2-CD 4.36Å; T641-K645 WeakPolarHBondContact O-CG 3.27Å; T641-K645 PolarHBondContact O-N 3.35Å; D642-K645 PolarHBondContact O-N 3.07Å; D642-K645 IonicContact OD1-NZ 2.61Å; K645-F649 PolarHBondContact O-N 2.97Å; K645-F649 VanDerWaalsContact O-N 3.09Å
646	G	91.7	Very high	88.6	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.1	-44.7	178.5	0	0	0	0	0	112.9	D642 I643 F649 L650	D642-G646 PolarHBondContact O-N 3.07Å; I643-G646 PolarHBondContact O-N 2.94Å; G646-F649 PolarHBondContact O-N 3.04Å; G646-L650 WeakPolarHBondContact O-CB 3.44Å; G646-L650 PolarHBondContact O-N 3.11Å
647	M	93.8	Very high	88.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-69.7	-37.7	177.9	-73.7	-56.3	-56.5	0	0	113	I643 F649 L650 H651 H658 L661 I676 D722 F795	I643-M647 HydrophobicContact CG2-CG 4.26Å; I643-M647 WeakPolarHBondContact O-CB 3.44Å; I643-M647 WeakPolarHBondContact O-CG 3.27Å; I643-M647 PolarHBondContact O-N 3.42Å; M647-F649 VanDerWaalsContact C-N 3.3Å; M647-F649 PolarHBondContact O-N 3.45Å; M647-L650 HydrophobicContact CE-CD2 4.12Å; M647-L650 PolarHBondContact O-N 2.92Å; M647-L650 HydrophobicContact SD-CD2 4.31Å; M647-H651 WeakPolarHBondContact CE-NE2 3.48Å; M647-H651 WeakPolarHBondContact O-CB 3.44Å; M647-H651 PolarHBondContact O-N 2.82Å; M647-H658 HydrophobicContact CE-CB 3.91Å; M647-H658 HydrophobicContact SD-CB 4.18Å; M647-L661 HydrophobicContact CE-CD2 4.29Å; M647-L661 HydrophobicContact CG-CD2 4.08Å; M647-L661 HydrophobicContact SD-CD1 4Å; M647-L661 HydrophobicContact SD-CD2 3.93Å; M647-I676 HydrophobicContact CB-CD1 4.4Å; M647-I676 HydrophobicContact CG-CD1 3.59Å; M647-I676 HydrophobicContact SD-CD1 3.66Å; M647-D722 HydrophobicContact CE-CB 3.64Å; M647-F795 HydrophobicContact CB-CD1 3.63Å; M647-F795 HydrophobicContact CB-CD2 3.84Å; M647-F795 HydrophobicContact CB-CE1 3.52Å; M647-F795 HydrophobicContact CB-CE2 3.74Å; M647-F795 HydrophobicContact CB-CG 3.78Å; M647-F795 HydrophobicContact CB-CZ 3.58Å; M647-F795 HydrophobicContact CE-CE2 3.87Å; M647-F795 HydrophobicContact CE-CZ 4.13Å; M647-F795 HydrophobicContact CG-CD1 4.47Å; M647-F795 HydrophobicContact CG-CE1 3.88Å; M647-F795 HydrophobicContact CG-CE2 4.2Å; M647-F795 HydrophobicContact CG-CZ 3.72Å
648	A	92.9	Very high	89.2	Confident	7 Å²	7	29.7 Å²	29.7	6%	0.058	17%	0.165	C	C	.	.	H	α-helix	trans	-61.4	-40.2	173.8	0	0	0	0	0	111.5	V644 N652 F795	V644-A648 WeakPolarHBondContact O-CB 3.42Å; V644-A648 PolarHBondContact O-N 2.69Å; A648-N652 PolarHBondContact O-N 2.91Å; A648-N652 PolarHBondContact O-ND2 3.43Å; A648-F795 HydrophobicContact CB-CB 4Å
649	F	92.7	Very high	89.3	Confident	69 Å²	69	29.2 Å²	29.2	30%	0.303	17%	0.166	S	C	.	.	H	α-helix	trans	-66.1	-46.2	173.8	176	-92	0	0	0	111.5	V590 N592 L595 K645 G646 M647 H651 N652 S653	V590-F649 HydrophobicContact CG1-CE1 3.85Å; V590-F649 HydrophobicContact CG1-CZ 4.44Å; N592-F649 HydrophobicContact CB-CD1 3.67Å; N592-F649 HydrophobicContact CB-CD2 4.45Å; N592-F649 HydrophobicContact CB-CE1 3.63Å; N592-F649 HydrophobicContact CB-CE2 4.4Å; N592-F649 HydrophobicContact CB-CG 4.09Å; N592-F649 HydrophobicContact CB-CZ 4.01Å; L595-F649 HydrophobicContact CD1-CD1 3.61Å; L595-F649 HydrophobicContact CD1-CE1 3.75Å; L595-F649 HydrophobicContact CG-CD1 4.36Å; K645-F649 PolarHBondContact O-N 2.97Å; K645-F649 VanDerWaalsContact O-N 3.09Å; G646-F649 PolarHBondContact O-N 3.04Å; M647-F649 VanDerWaalsContact C-N 3.3Å; M647-F649 PolarHBondContact O-N 3.45Å; F649-H651 PolarHBondContact O-N 3.22Å; F649-N652 CarbonylContact O-C 3.54Å; F649-N652 PolarHBondContact O-N 3.44Å; F649-S653 WeakPolarHBondContact O-CB 3.31Å; F649-S653 PolarHBondContact O-N 3.48Å
650	L	90.8	Very high	89.3	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.4	-43.8	-180	-166	98.6	0	0	0	112.2	L595 G646 M647 N652 S653 I655 V656 H658 Y679	L595-L650 HydrophobicContact CD1-CD1 4.01Å; L595-L650 HydrophobicContact CD2-CD1 4.14Å; G646-L650 WeakPolarHBondContact O-CB 3.44Å; G646-L650 PolarHBondContact O-N 3.11Å; M647-L650 HydrophobicContact CE-CD2 4.12Å; M647-L650 PolarHBondContact O-N 2.92Å; M647-L650 HydrophobicContact SD-CD2 4.31Å; L650-N652 VanDerWaalsContact C-N 3.29Å; L650-N652 PolarHBondContact O-N 3.17Å; L650-S653 WeakPolarHBondContact O-CB 3.29Å; L650-S653 PolarHBondContact O-N 2.96Å; L650-S653 VanDerWaalsContact O-N 3.09Å; L650-S653 PolarHBondContact O-OG 3.2Å; L650-I655 HydrophobicContact CD1-CB 4.49Å; L650-I655 HydrophobicContact CD1-CD1 4.5Å; L650-I655 HydrophobicContact CD1-CG2 4.35Å; L650-V656 PolarHBondContact O-N 3.19Å; L650-H658 HydrophobicContact CD2-CB 3.63Å; L650-Y679 HydrophobicContact CD1-CD2 3.88Å; L650-Y679 HydrophobicContact CD1-CG 3.88Å
651	H	92	Very high	89.4	Confident	17 Å²	17	32.5 Å²	32.5	8%	0.079	18%	0.183	C	C	.	.	H	α-helix	trans	-65.7	-29.4	179.2	-76.9	-164.6	0	0	0	113.6	M647 F649 V656 Q719 D722 F795	M647-H651 WeakPolarHBondContact CE-NE2 3.48Å; M647-H651 WeakPolarHBondContact O-CB 3.44Å; M647-H651 PolarHBondContact O-N 2.82Å; F649-H651 PolarHBondContact O-N 3.22Å; H651-V656 WeakPolarHBondContact CA-O 3.42Å; H651-V656 PolarHBondContact CD2-O 3.27Å; H651-Q719 PolarHBondContact CE1-O 2.95Å; H651-Q719 PolarHBondContact O-NE2 2.88Å; H651-D722 IonicContact CD2-OD2 2.74Å; H651-D722 IonicContact CE1-OD2 3.58Å; H651-D722 IonicContact NE2-OD2 3.11Å; H651-D722 PolarHBondContact NE2-OD2 2.82Å; H651-F795 AromaticContact CE1-CD2 3.37Å; H651-F795 WeakPolarHBondContact CE1-CD2 3.41Å; H651-F795 AromaticContact CE1-CE2 3.42Å; H651-F795 VanDerWaalsContact CE1-CE2 3.42Å; H651-F795 WeakPolarHBondContact CE1-CE2 3.4Å; H651-F795 AromaticContact ND1-CD2 3.45Å; H651-F795 WeakPolarHBondContact ND1-CD2 3.24Å; H651-F795 AromaticContact ND1-CE2 4Å; H651-F795 AromaticContact NE2-CE2 3.99Å
652	N	89.5	Confident	89.6	Confident	117 Å²	117	32.2 Å²	32.2	63%	0.626	18%	0.178	S	C	*	.	H	α-helix	trans	-88	-5.4	174.8	-65.9	-34.9	0	0	0	113.1	A648 F649 L650	A648-N652 PolarHBondContact O-N 2.91Å; A648-N652 PolarHBondContact O-ND2 3.43Å; F649-N652 CarbonylContact O-C 3.54Å; F649-N652 PolarHBondContact O-N 3.44Å; L650-N652 VanDerWaalsContact C-N 3.29Å; L650-N652 PolarHBondContact O-N 3.17Å
653	S	87.5	Confident	89.5	Confident	20 Å²	20	31.8 Å²	31.8	14%	0.14	18%	0.176	C	C	.	.	S	Bend	trans	-90	173.2	-179.3	82.1	0	0	0	0	112.4	F649 L650 I655 V656	F649-S653 WeakPolarHBondContact O-CB 3.31Å; F649-S653 PolarHBondContact O-N 3.48Å; L650-S653 WeakPolarHBondContact O-CB 3.29Å; L650-S653 PolarHBondContact O-N 2.96Å; L650-S653 VanDerWaalsContact O-N 3.09Å; L650-S653 PolarHBondContact O-OG 3.2Å; S653-I655 PolarHBondContact O-N 3.05Å; S653-I655 VanDerWaalsContact O-N 3.08Å; S653-I655 PolarHBondContact OG-N 3.12Å; S653-V656 PolarHBondContact O-N 3.3Å; S653-V656 VanDerWaalsContact O-N 3.1Å
654	V	82.8	Confident	89.3	Confident	102 Å²	102	33.1 Å²	33.1	62%	0.618	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.9	176.1	-172.5	0	0	0	0	112.8
655	I	82.4	Confident	89.1	Confident	30 Å²	30	33.2 Å²	33.2	15%	0.154	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-26.4	179.4	-55.8	-177.3	0	0	0	111.5	M587 V590 L650 S653 S657 Y679	M587-I655 HydrophobicContact SD-CD1 3.64Å; V590-I655 HydrophobicContact CG2-CD1 4.26Å; L650-I655 HydrophobicContact CD1-CB 4.49Å; L650-I655 HydrophobicContact CD1-CD1 4.5Å; L650-I655 HydrophobicContact CD1-CG2 4.35Å; S653-I655 PolarHBondContact O-N 3.05Å; S653-I655 VanDerWaalsContact O-N 3.08Å; S653-I655 PolarHBondContact OG-N 3.12Å; I655-S657 PolarHBondContact O-N 3.34Å; I655-Y679 HydrophobicContact CD1-CD2 3.53Å; I655-Y679 HydrophobicContact CD1-CE2 3.72Å
656	V	86.9	Confident	89.2	Confident	74 Å²	74	29.5 Å²	29.5	45%	0.448	17%	0.17	S	C	.	.			trans	65.9	-39.7	171.9	-175.4	0	0	0	0	116.1	L650 H651 S653 Q719	L650-V656 PolarHBondContact O-N 3.19Å; H651-V656 WeakPolarHBondContact CA-O 3.42Å; H651-V656 PolarHBondContact CD2-O 3.27Å; S653-V656 PolarHBondContact O-N 3.3Å; S653-V656 VanDerWaalsContact O-N 3.1Å; V656-Q719 VanDerWaalsContact O-CG 3.25Å; V656-Q719 WeakPolarHBondContact O-CG 3.48Å; V656-Q719 PolarHBondContact O-NE2 3.18Å
657	S	89.5	Confident	89.2	Confident	9 Å²	9	30.6 Å²	30.6	6%	0.063	18%	0.176	C	C	.	.			trans	-152.4	156.3	178.1	55.3	0	0	0	0	112.3	I655 S716 D722	I655-S657 PolarHBondContact O-N 3.34Å; S657-S716 PolarHBondContact OG-O 3.35Å; S657-D722 WeakPolarHBondContact CB-OD2 3.35Å
658	H	89.1	Confident	88.9	Confident	6 Å²	6	30.6 Å²	30.6	3%	0.028	18%	0.176	C	C	.	.			trans	-85	-47.4	179.3	-168.3	-75.8	0	0	0	111.2	M647 L650 N660 L661 I676 T677 D722	M647-H658 HydrophobicContact CE-CB 3.91Å; M647-H658 HydrophobicContact SD-CB 4.18Å; L650-H658 HydrophobicContact CD2-CB 3.63Å; H658-N660 PolarHBondContact CE1-O 2.61Å; H658-N660 PolarHBondContact ND1-N 3.42Å; H658-N660 PolarHBondContact ND1-O 3.15Å; H658-N660 PolarHBondContact O-N 3.22Å; H658-N660 VanDerWaalsContact O-N 3.15Å; H658-L661 HydrophobicContact CB-CB 4.46Å; H658-L661 PolarHBondContact ND1-N 2.96Å; H658-I676 VanDerWaalsContact CD2-CG2 3.42Å; H658-I676 WeakPolarHBondContact CD2-CG2 3.44Å; H658-I676 WeakPolarHBondContact NE2-CG2 3.17Å; H658-T677 PolarHBondContact NE2-O 3.33Å; H658-D722 PolarHBondContact N-OD2 3.15Å
659	G	84.6	Confident	88.4	Confident	27 Å²	27	31.3 Å²	31.3	28%	0.278	18%	0.179	S	C	.	.	S	Bend	trans	75.8	-6.7	173.1	0	0	0	0	0	116.3	S716 D722	G659-S716 WeakPolarHBondContact CA-O 3.41Å; G659-D722 PolarHBondContact N-OD1 3.42Å
660	N	86.9	Confident	87.6	Confident	71 Å²	71	31.9 Å²	31.9	38%	0.38	19%	0.192	S	C	.	.	S	Bend	trans	-153	48.1	175.4	-170.2	33.6	0	0	0	111.6	H658 N665	H658-N660 PolarHBondContact CE1-O 2.61Å; H658-N660 PolarHBondContact ND1-N 3.42Å; H658-N660 PolarHBondContact ND1-O 3.15Å; H658-N660 PolarHBondContact O-N 3.22Å; H658-N660 VanDerWaalsContact O-N 3.15Å; N660-N665 PolarHBondContact O-ND2 2.99Å
661	L	90.9	Very high	86.6	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	21%	0.209	C	C	.	.			trans	-74.3	130.5	-179.9	-175.4	67.3	0	0	0	109.7	M647 H658 I676 W702 S725 F726 I729	M647-L661 HydrophobicContact CE-CD2 4.29Å; M647-L661 HydrophobicContact CG-CD2 4.08Å; M647-L661 HydrophobicContact SD-CD1 4Å; M647-L661 HydrophobicContact SD-CD2 3.93Å; H658-L661 HydrophobicContact CB-CB 4.46Å; H658-L661 PolarHBondContact ND1-N 2.96Å; L661-I676 HydrophobicContact CD1-CG2 4.17Å; L661-W702 WeakPolarHBondContact O-CB 3.27Å; L661-S725 WeakPolarHBondContact O-CB 3.46Å; L661-F726 HydrophobicContact CD2-CB 4.3Å; L661-I729 HydrophobicContact CD2-CD1 4.25Å; L661-I729 HydrophobicContact CG-CD1 3.83Å
662	K	90.1	Very high	85.9	Confident	37 Å²	37	38.8 Å²	38.8	16%	0.161	22%	0.219	C	C	.	.			trans	-157.5	160.9	-179.5	57.1	180	-178	135.7	0	109.7	S664 N665 C666 W702	K662-S664 VanDerWaalsContact C-N 3.25Å; K662-S664 VanDerWaalsContact CD-OG 3.25Å; K662-S664 WeakPolarHBondContact CD-OG 3.46Å; K662-S664 VanDerWaalsContact CE-OG 3.23Å; K662-S664 WeakPolarHBondContact CE-OG 3.4Å; K662-S664 PolarHBondContact NZ-OG 2.76Å; K662-S664 PolarHBondContact O-N 2.91Å; K662-N665 VanDerWaalsContact CE-ND2 3.32Å; K662-N665 WeakPolarHBondContact CE-ND2 3.4Å; K662-N665 WeakPolarHBondContact CE-OD1 2.94Å; K662-N665 HydrophobicContact CG-CB 3.92Å; K662-N665 PolarHBondContact O-N 3.3Å; K662-C666 PolarHBondContact O-N 3.3Å; K662-W702 HydrophobicContact CB-CD2 3.66Å; K662-W702 HydrophobicContact CB-CE3 3.98Å; K662-W702 HydrophobicContact CB-CG 3.94Å; K662-W702 HydrophobicContact CB-CZ2 4.26Å; K662-W702 HydrophobicContact CB-CZ3 4.42Å
663	S	88.4	Confident	85.6	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-57	-35.9	179.8	47.6	0	0	0	0	113.1	L620 N665 C666 E732	L620-S663 WeakPolarHBondContact CB-O 3.12Å; S663-N665 VanDerWaalsContact C-N 3.26Å; S663-N665 PolarHBondContact O-N 2.96Å; S663-C666 PolarHBondContact O-N 3.07Å; S663-C666 VanDerWaalsContact O-N 3.17Å; S663-E732 VanDerWaalsContact CB-OE2 3.27Å; S663-E732 WeakPolarHBondContact CB-OE2 3.3Å; S663-E732 PolarHBondContact OG-OE2 3.12Å
664	S	87.6	Confident	85.8	Confident	30 Å²	30	33.1 Å²	33.1	21%	0.21	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-71	-12.1	174.4	44	0	0	0	0	115.5	K662	K662-S664 VanDerWaalsContact C-N 3.25Å; K662-S664 VanDerWaalsContact CD-OG 3.25Å; K662-S664 WeakPolarHBondContact CD-OG 3.46Å; K662-S664 VanDerWaalsContact CE-OG 3.23Å; K662-S664 WeakPolarHBondContact CE-OG 3.4Å; K662-S664 PolarHBondContact NZ-OG 2.76Å; K662-S664 PolarHBondContact O-N 2.91Å
665	N	90.7	Very high	86.3	Confident	3 Å²	3	29.6 Å²	29.6	2%	0.016	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-98.8	1.9	173.2	-73.8	-7.4	0	0	0	112.4	N660 K662 S663 T677 D678	N660-N665 PolarHBondContact O-ND2 2.99Å; K662-N665 VanDerWaalsContact CE-ND2 3.32Å; K662-N665 WeakPolarHBondContact CE-ND2 3.4Å; K662-N665 WeakPolarHBondContact CE-OD1 2.94Å; K662-N665 HydrophobicContact CG-CB 3.92Å; K662-N665 PolarHBondContact O-N 3.3Å; S663-N665 VanDerWaalsContact C-N 3.26Å; S663-N665 PolarHBondContact O-N 2.96Å; N665-T677 HydrophobicContact CB-CG2 4.49Å; N665-T677 WeakPolarHBondContact O-CG2 3.28Å; N665-T677 PolarHBondContact O-N 3.07Å; N665-D678 PolarHBondContact OD1-OD2 3.46Å
666	C	92.6	Very high	86.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106	170.9	-66.2	0	0	0	0	107.4	S619 L620 K662 S663 L674	S619-C666 CarbonylContact C-O 3.47Å; S619-C666 VanDerWaalsContact CA-O 3.27Å; S619-C666 WeakPolarHBondContact CA-O 3.17Å; L620-C666 HydrophobicContact CB-CB 3.99Å; L620-C666 HydrophobicContact CD2-CB 4.33Å; L620-C666 PolarHBondContact N-O 3.29Å; K662-C666 PolarHBondContact O-N 3.3Å; S663-C666 PolarHBondContact O-N 3.07Å; S663-C666 VanDerWaalsContact O-N 3.17Å; C666-L674 HydrophobicContact CB-CD1 3.99Å; C666-L674 HydrophobicContact CB-CD2 3.86Å; C666-L674 HydrophobicContact CB-CG 4.11Å
667	V	91.3	Very high	86.9	Confident	22 Å²	22	25.3 Å²	25.3	13%	0.133	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	151	-176.2	-67.1	0	0	0	0	111.2	T596 C615 G618 K675 T677	T596-V667 HydrophobicContact CG2-CG2 3.48Å; T596-V667 VanDerWaalsContact CG2-CG2 3.48Å; C615-V667 HydrophobicContact CB-CB 3.81Å; C615-V667 HydrophobicContact CB-CG2 3.92Å; C615-V667 VanDerWaalsContact SG-CG2 3.54Å; G618-V667 WeakPolarHBondContact O-CA 3.35Å; V667-K675 HydrophobicContact CG2-CB 4.29Å; V667-K675 WeakPolarHBondContact CG2-O 3.48Å; V667-K675 PolarHBondContact N-O 3.05Å; V667-K675 PolarHBondContact O-N 2.85Å; V667-T677 HydrophobicContact CG1-CG2 3.85Å; V667-T677 HydrophobicContact CG2-CG2 4.19Å
668	V	87.7	Confident	86.8	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	126	-173.9	-177.5	0	0	0	0	110	C615 R617 G618 L623 L639 F672	C615-V668 VanDerWaalsContact CB-O 3.32Å; C615-V668 WeakPolarHBondContact CB-O 3.37Å; R617-V668 HydrophobicContact CB-CB 3.92Å; R617-V668 HydrophobicContact CB-CG1 3.98Å; R617-V668 WeakPolarHBondContact CB-O 3.46Å; R617-V668 HydrophobicContact CG-CG1 4.36Å; R617-V668 PolarHBondContact N-O 3.5Å; G618-V668 PolarHBondContact O-N 2.84Å; L623-V668 HydrophobicContact CD2-CG2 4.35Å; L639-V668 HydrophobicContact CD2-CG2 4.38Å; V668-F672 HydrophobicContact CG1-CB 4.43Å; V668-F672 HydrophobicContact CG1-CD1 4.12Å
669	D	82.4	Confident	86.7	Confident	22 Å²	22	26.3 Å²	26.3	12%	0.118	14%	0.144	C	C	.	.			trans	-78.7	-176.9	180	75.7	6.7	0	0	0	112.7	R617 R671 F672 V673 K675	R617-D669 WeakPolarHBondContact CG-O 3.22Å; D669-R671 PolarHBondContact O-N 3.12Å; D669-R671 WeakPolarHBondContact OD1-CA 3.44Å; D669-R671 WeakPolarHBondContact OD1-CB 3.44Å; D669-R671 PolarHBondContact OD1-N 3.14Å; D669-F672 PolarHBondContact O-N 3.19Å; D669-F672 PolarHBondContact OD1-N 2.69Å; D669-F672 VanDerWaalsContact OD1-N 3.15Å; D669-V673 PolarHBondContact N-O 3.31Å; D669-V673 VanDerWaalsContact N-O 3.11Å; D669-V673 PolarHBondContact OD1-N 3.11Å; D669-K675 WeakPolarHBondContact OD2-CE 3.39Å
670	S	75.4	Confident	86.5	Confident	81 Å²	81	25.8 Å²	25.8	57%	0.566	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-21.4	178.7	48.8	0	0	0	0	113.9
671	R	71.2	Confident	86	Confident	97 Å²	97	22.5 Å²	22.5	37%	0.366	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	6.9	-177.8	-68.6	177.7	55.8	166.7	-7.2	113	D669 V673	D669-R671 PolarHBondContact O-N 3.12Å; D669-R671 WeakPolarHBondContact OD1-CA 3.44Å; D669-R671 WeakPolarHBondContact OD1-CB 3.44Å; D669-R671 PolarHBondContact OD1-N 3.14Å; R671-V673 HydrophobicContact CB-CG2 4.21Å; R671-V673 PolarHBondContact O-N 3.27Å
672	F	76.3	Confident	85.1	Confident	65 Å²	65	25.4 Å²	25.4	29%	0.285	13%	0.134	S	C	.	.	S	Bend	trans	62.8	20.7	-173.1	-65.6	-77.8	0	0	0	114.7	I629 F635 V668 D669	I629-F672 HydrophobicContact CD1-CE1 4.1Å; I629-F672 HydrophobicContact CD1-CZ 4.38Å; F635-F672 HydrophobicContact CE2-CB 3.79Å; F635-F672 AromaticContact CE2-CD1 3.94Å; F635-F672 HydrophobicContact CE2-CD1 3.94Å; F635-F672 AromaticContact CE2-CG 3.95Å; F635-F672 HydrophobicContact CE2-CG 3.95Å; F635-F672 HydrophobicContact CZ-CB 3.99Å; F635-F672 AromaticContact CZ-CD1 3.46Å; F635-F672 HydrophobicContact CZ-CD1 3.46Å; F635-F672 VanDerWaalsContact CZ-CD1 3.46Å; F635-F672 HydrophobicContact CZ-CE1 4.1Å; F635-F672 AromaticContact CZ-CG 3.94Å; F635-F672 HydrophobicContact CZ-CG 3.94Å; V668-F672 HydrophobicContact CG1-CB 4.43Å; V668-F672 HydrophobicContact CG1-CD1 4.12Å; D669-F672 PolarHBondContact O-N 3.19Å; D669-F672 PolarHBondContact OD1-N 2.69Å; D669-F672 VanDerWaalsContact OD1-N 3.15Å
673	V	84	Confident	84.2	Confident	19 Å²	19	25.5 Å²	25.5	12%	0.115	14%	0.14	C	C	.	.			trans	-83.5	129	170.5	-178.5	0	0	0	0	108.3	D669 R671	D669-V673 PolarHBondContact N-O 3.31Å; D669-V673 VanDerWaalsContact N-O 3.11Å; D669-V673 PolarHBondContact OD1-N 3.11Å; R671-V673 HydrophobicContact CB-CG2 4.21Å; R671-V673 PolarHBondContact O-N 3.27Å
674	L	90.9	Very high	83.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	128.4	177.4	-172.5	158.2	0	0	0	110	H594 L620 L639 D642 I643 C666 I676	H594-L674 PolarHBondContact ND1-O 3.33Å; L620-L674 HydrophobicContact CD1-CD1 4.48Å; L620-L674 HydrophobicContact CD2-CD1 4.4Å; L639-L674 HydrophobicContact CB-CD1 4.05Å; L639-L674 HydrophobicContact CD2-CB 3.98Å; L639-L674 HydrophobicContact CD2-CD1 4.05Å; D642-L674 HydrophobicContact CB-CB 3.86Å; D642-L674 PolarHBondContact OD2-N 3.29Å; I643-L674 HydrophobicContact CB-CD2 4.44Å; I643-L674 HydrophobicContact CD1-CD1 3.82Å; I643-L674 HydrophobicContact CD1-CD2 4.42Å; I643-L674 HydrophobicContact CG1-CD1 3.63Å; I643-L674 HydrophobicContact CG1-CD2 3.4Å; I643-L674 VanDerWaalsContact CG1-CD2 3.4Å; I643-L674 HydrophobicContact CG1-CG 4.15Å; C666-L674 HydrophobicContact CB-CD1 3.99Å; C666-L674 HydrophobicContact CB-CD2 3.86Å; C666-L674 HydrophobicContact CB-CG 4.11Å; L674-I676 HydrophobicContact CD2-CG1 4.46Å
675	K	92.8	Very high	82.3	Confident	27 Å²	27	26.3 Å²	26.3	12%	0.117	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.5	176.3	-54.2	-165.3	-178.6	-166.2	0	111.2	E593 H594 T596 E613 V667 D669	E593-K675 WeakPolarHBondContact O-CD 3.33Å; E593-K675 WeakPolarHBondContact O-CE 3.26Å; E593-K675 WeakPolarHBondContact O-CG 3.48Å; H594-K675 CarbonylContact O-C 3.55Å; H594-K675 WeakPolarHBondContact O-CA 3.39Å; T596-K675 HydrophobicContact CG2-CB 3.91Å; E613-K675 WeakPolarHBondContact OE1-CD 3.2Å; E613-K675 IonicContact OE1-NZ 3.85Å; E613-K675 PolarHBondContact OE1-NZ 2.93Å; E613-K675 IonicContact OE2-NZ 2.76Å; V667-K675 HydrophobicContact CG2-CB 4.29Å; V667-K675 WeakPolarHBondContact CG2-O 3.48Å; V667-K675 PolarHBondContact N-O 3.05Å; V667-K675 PolarHBondContact O-N 2.85Å; D669-K675 WeakPolarHBondContact OD2-CE 3.39Å
676	I	93.6	Very high	80.9	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	124.2	175.5	-57	161.3	0	0	0	107.8	H594 L595 T596 M647 H658 L661 L674 Y679	H594-I676 PolarHBondContact O-N 3.3Å; L595-I676 HydrophobicContact CD2-CB 3.79Å; L595-I676 HydrophobicContact CD2-CD1 4.23Å; L595-I676 HydrophobicContact CD2-CG2 4.47Å; T596-I676 PolarHBondContact N-O 3.07Å; M647-I676 HydrophobicContact CB-CD1 4.4Å; M647-I676 HydrophobicContact CG-CD1 3.59Å; M647-I676 HydrophobicContact SD-CD1 3.66Å; H658-I676 VanDerWaalsContact CD2-CG2 3.42Å; H658-I676 WeakPolarHBondContact CD2-CG2 3.44Å; H658-I676 WeakPolarHBondContact NE2-CG2 3.17Å; L661-I676 HydrophobicContact CD1-CG2 4.17Å; L674-I676 HydrophobicContact CD2-CG1 4.46Å; I676-Y679 WeakPolarHBondContact O-CD1 3.39Å; I676-Y679 WeakPolarHBondContact O-CE1 3.15Å
677	T	89.8	Confident	79	Confident	15 Å²	15	33.5 Å²	33.5	9%	0.092	19%	0.186	C	C	.	.			trans	-109.8	173.8	175.1	-159.6	0	0	0	0	111	T596 H658 N665 V667 Y679	T596-T677 WeakPolarHBondContact OG1-CA 3.2Å; T596-T677 WeakPolarHBondContact OG1-CB 3.38Å; T596-T677 PolarHBondContact OG1-OG1 2.66Å; H658-T677 PolarHBondContact NE2-O 3.33Å; N665-T677 HydrophobicContact CB-CG2 4.49Å; N665-T677 WeakPolarHBondContact O-CG2 3.28Å; N665-T677 PolarHBondContact O-N 3.07Å; V667-T677 HydrophobicContact CG1-CG2 3.85Å; V667-T677 HydrophobicContact CG2-CG2 4.19Å; T677-Y679 PolarHBondContact O-N 3.29Å
678	D	85.8	Confident	77	Confident	33 Å²	33	38.2 Å²	38.2	18%	0.176	22%	0.22	C	C	.	.	S	Bend	trans	64.6	20.2	174.5	-81.5	-29.2	0	0	0	117	K567 N665 R685	K567-D678 IonicContact NZ-OD1 3.35Å; K567-D678 PolarHBondContact NZ-OD1 3.14Å; K567-D678 IonicContact NZ-OD2 2.72Å; K567-D678 PolarHBondContact NZ-OD2 3.5Å; N665-D678 PolarHBondContact OD1-OD2 3.46Å; D678-R685 PolarHBondContact O-NH1 3.21Å; D678-R685 IonicContact OD1-CZ 2.81Å; D678-R685 VanDerWaalsContact OD1-CZ 3.24Å; D678-R685 IonicContact OD1-NH1 3.36Å; D678-R685 PolarHBondContact OD1-NH1 3.42Å; D678-R685 IonicContact OD1-NH2 2.81Å; D678-R685 PolarHBondContact OD1-NH2 2.89Å
679	Y	87.3	Confident	75.2	Confident	3 Å²	3	40.5 Å²	40.5	1%	0.012	24%	0.235	C	C	.	.			trans	-79.2	154.2	171.3	64.3	-91.3	0	0	0	112.4	M587 V590 L595 T596 L650 I655 I676 T677	M587-Y679 HydrophobicContact CE-CD2 3.73Å; M587-Y679 HydrophobicContact CE-CE2 3.46Å; M587-Y679 VanDerWaalsContact CE-CE2 3.46Å; M587-Y679 WeakPolarHBondContact CE-O 3.45Å; M587-Y679 HydrophobicContact SD-CD2 3.68Å; M587-Y679 HydrophobicContact SD-CE2 3.61Å; V590-Y679 HydrophobicContact CG1-CE2 4.46Å; L595-Y679 HydrophobicContact CB-CE1 3.81Å; L595-Y679 HydrophobicContact CD1-CE1 4.37Å; L595-Y679 HydrophobicContact CD1-CE2 4.38Å; L595-Y679 HydrophobicContact CD2-CD1 4.24Å; L595-Y679 HydrophobicContact CD2-CE1 4.19Å; L595-Y679 HydrophobicContact CG-CE1 4.35Å; T596-Y679 PolarHBondContact O-OH 2.83Å; L650-Y679 HydrophobicContact CD1-CD2 3.88Å; L650-Y679 HydrophobicContact CD1-CG 3.88Å; I655-Y679 HydrophobicContact CD1-CD2 3.53Å; I655-Y679 HydrophobicContact CD1-CE2 3.72Å; I676-Y679 WeakPolarHBondContact O-CD1 3.39Å; I676-Y679 WeakPolarHBondContact O-CE1 3.15Å; T677-Y679 PolarHBondContact O-N 3.29Å
680	G	81.5	Confident	73.9	Confident	15 Å²	15	43.8 Å²	43.8	16%	0.155	26%	0.258	C	S	.	.	S	Bend	trans	63.6	-167.6	176.9	0	0	0	0	0	115.2	Q682 R685	G680-Q682 PolarHBondContact O-N 3.04Å; G680-Q682 VanDerWaalsContact O-N 3.11Å; G680-R685 WeakPolarHBondContact O-CD 3.5Å; G680-R685 PolarHBondContact O-NE 3.26Å
681	L	75.8	Confident	72.9	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.016	27%	0.265	C	S	.	.			trans	49.7	34.6	-179.4	-57	176.9	0	0	0	115	E583 L584 M587 F598 I610 S683 L684 R685	E583-L681 HydrophobicContact CB-CD2 4.14Å; L584-L681 HydrophobicContact CD2-CD1 4.19Å; L584-L681 HydrophobicContact CD2-CD2 3.64Å; L584-L681 HydrophobicContact CG-CD2 3.95Å; M587-L681 HydrophobicContact CB-CD2 4.45Å; M587-L681 HydrophobicContact CE-CD1 4.35Å; M587-L681 HydrophobicContact CE-CG 4.31Å; M587-L681 HydrophobicContact CG-CD1 4.33Å; M587-L681 HydrophobicContact CG-CD2 3.76Å; M587-L681 HydrophobicContact CG-CG 3.73Å; M587-L681 HydrophobicContact SD-CG 4.38Å; F598-L681 HydrophobicContact CD2-CD1 4.24Å; F598-L681 HydrophobicContact CE2-CD1 3.68Å; F598-L681 HydrophobicContact CZ-CD1 4.27Å; I610-L681 HydrophobicContact CD1-CD1 4.07Å; L681-S683 PolarHBondContact O-N 3.48Å; L681-L684 HydrophobicContact CB-CD1 4.35Å; L681-L684 HydrophobicContact CD2-CD1 4.2Å; L681-L684 PolarHBondContact O-N 3.38Å; L681-R685 WeakPolarHBondContact O-CD 3.36Å; L681-R685 WeakPolarHBondContact O-CG 3.48Å; L681-R685 PolarHBondContact O-N 2.85Å; L681-R685 VanDerWaalsContact O-N 3.13Å
682	Q	71.7	Confident	72.3	Confident	61 Å²	61	48.3 Å²	48.3	29%	0.285	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-31.3	-170.8	-166	67.1	-9.8	0	0	112.8	G680 L684 R685 T686 C715	G680-Q682 PolarHBondContact O-N 3.04Å; G680-Q682 VanDerWaalsContact O-N 3.11Å; Q682-L684 PolarHBondContact O-N 3.38Å; Q682-R685 PolarHBondContact O-N 3.33Å; Q682-T686 PolarHBondContact O-N 3.1Å; Q682-T686 PolarHBondContact O-OG1 3.15Å; Q682-T686 VanDerWaalsContact O-OG1 3.07Å; Q682-C715 VanDerWaalsContact CD-O 3.25Å; Q682-C715 HydrophobicContact CG-CB 3.79Å; Q682-C715 VanDerWaalsContact CG-O 3.28Å; Q682-C715 WeakPolarHBondContact CG-O 3.22Å; Q682-C715 PolarHBondContact NE2-O 3.33Å
683	S	70.7	Confident	72	Confident	39 Å²	39	48 Å²	48	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-61.1	-29.3	173.9	61.1	0	0	0	0	113.3	K571 E583 L681	K571-S683 PolarHBondContact NZ-O 3.3Å; E583-S683 WeakPolarHBondContact OE2-CB 3.27Å; E583-S683 PolarHBondContact OE2-OG 3.22Å; L681-S683 PolarHBondContact O-N 3.48Å
684	L	69.6	Low	71.5	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-92.5	-27	179.7	-58.5	177	0	0	0	112.3	I569 I574 V580 L584 L681 Q682	I569-L684 HydrophobicContact CD1-CB 4.42Å; I569-L684 WeakPolarHBondContact CG2-O 3.43Å; I574-L684 HydrophobicContact CD1-CD2 3.72Å; I574-L684 HydrophobicContact CG2-CD2 3.51Å; V580-L684 HydrophobicContact CG1-CD1 4.42Å; V580-L684 HydrophobicContact CG1-CD2 4.04Å; V580-L684 HydrophobicContact CG1-CG 4.39Å; L584-L684 HydrophobicContact CD2-CD1 4.13Å; L584-L684 HydrophobicContact CG-CD1 4.49Å; L681-L684 HydrophobicContact CB-CD1 4.35Å; L681-L684 HydrophobicContact CD2-CD1 4.2Å; L681-L684 PolarHBondContact O-N 3.38Å; Q682-L684 PolarHBondContact O-N 3.38Å
685	R	67.3	Low	70.5	Confident	43 Å²	43	55.9 Å²	55.9	16%	0.162	33%	0.326	C	S	.	.	H	α-helix	trans	-92.4	-7.2	-170.5	-71.4	157.9	168.7	-100.6	-8.1	115.2	I610 D678 G680 L681 Q682 S687	I610-R685 HydrophobicContact CD1-CG 4.27Å; D678-R685 PolarHBondContact O-NH1 3.21Å; D678-R685 IonicContact OD1-CZ 2.81Å; D678-R685 VanDerWaalsContact OD1-CZ 3.24Å; D678-R685 IonicContact OD1-NH1 3.36Å; D678-R685 PolarHBondContact OD1-NH1 3.42Å; D678-R685 IonicContact OD1-NH2 2.81Å; D678-R685 PolarHBondContact OD1-NH2 2.89Å; G680-R685 WeakPolarHBondContact O-CD 3.5Å; G680-R685 PolarHBondContact O-NE 3.26Å; L681-R685 WeakPolarHBondContact O-CD 3.36Å; L681-R685 WeakPolarHBondContact O-CG 3.48Å; L681-R685 PolarHBondContact O-N 2.85Å; L681-R685 VanDerWaalsContact O-N 3.13Å; Q682-R685 PolarHBondContact O-N 3.33Å; R685-S687 PolarHBondContact O-N 2.88Å
686	T	61.3	Low	69.9	Low	81 Å²	81	57.2 Å²	57.2	50%	0.497	33%	0.332	S	S	.	.			trans	-57.7	106.2	177.9	-39	0	0	0	0	110.8	Q682	Q682-T686 PolarHBondContact O-N 3.1Å; Q682-T686 PolarHBondContact O-OG1 3.15Å; Q682-T686 VanDerWaalsContact O-OG1 3.07Å
687	S	53.5	Low	69.3	Low	74 Å²	74	59.1 Å²	59.1	52%	0.517	34%	0.34	S	S	.	.			trans	-88.9	125.7	177.5	63.5	0	0	0	0	110.4	R685 C689	R685-S687 PolarHBondContact O-N 2.88Å; S687-C689 VanDerWaalsContact C-N 3.31Å; S687-C689 PolarHBondContact O-N 3.39Å
688	S	48.5	Very low	68.9	Low	121 Å²	121	59.7 Å²	59.7	85%	0.846	35%	0.346	S	S	*	.			trans	-74.9	80.7	169.2	-41.1	0	0	0	0	109
689	C	49.4	Very low	68.6	Low	48 Å²	48	62.2 Å²	62.2	32%	0.324	35%	0.353	S	S	.	.			trans	-94	138.4	168.9	-93.7	0	0	0	0	109.9	S687 E691 R699	S687-C689 VanDerWaalsContact C-N 3.31Å; S687-C689 PolarHBondContact O-N 3.39Å; C689-E691 PolarHBondContact O-N 3.11Å; C689-R699 PolarHBondContact SG-NH2 3.46Å
690	P	55.8	Low	68.6	Low	91 Å²	91	65.4 Å²	65.4	59%	0.591	37%	0.367	S	S	*	.			trans	-62.5	130.4	173.8	24.2	-30.3	0	0	0	109.9	D692 T693	P690-D692 PolarHBondContact O-N 3.47Å; P690-T693 HydrophobicContact CG-CG2 4.21Å; P690-T693 PolarHBondContact O-OG1 3.19Å
691	E	55.3	Low	68.9	Low	155 Å²	155	65.3 Å²	65.3	72%	0.724	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	0.1	-164.9	-67.6	-178.8	154.5	0	0	115.3	C689 F696	C689-E691 PolarHBondContact O-N 3.11Å; E691-F696 WeakPolarHBondContact O-CD1 3.38Å
692	D	57.8	Low	69.6	Low	118 Å²	118	66.1 Å²	66.1	63%	0.631	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.1	20.7	-170.3	-134.5	-6.1	0	0	0	114.7	P690 K750	P690-D692 PolarHBondContact O-N 3.47Å; D692-K750 IonicContact OD1-NZ 2.69Å; D692-K750 PolarHBondContact OD1-NZ 2.82Å
693	T	69.7	Low	70.4	Confident	59 Å²	59	64.3 Å²	64.3	36%	0.362	36%	0.359	S	S	.	.	S	Bend	trans	-93.3	146.8	177.5	44.9	0	0	0	0	112.3	P690 A695 F696 Y697	P690-T693 HydrophobicContact CG-CG2 4.21Å; P690-T693 PolarHBondContact O-OG1 3.19Å; T693-A695 PolarHBondContact O-N 3.07Å; T693-A695 VanDerWaalsContact O-N 3.11Å; T693-F696 WeakPolarHBondContact O-CA 3.37Å; T693-F696 VanDerWaalsContact O-CB 3.26Å; T693-F696 WeakPolarHBondContact O-CB 3.48Å; T693-F696 PolarHBondContact O-N 2.73Å; T693-Y697 PolarHBondContact O-N 3.13Å
694	H	73.6	Confident	71.4	Confident	129 Å²	129	62.5 Å²	62.5	60%	0.597	35%	0.346	S	S	*	.	H	α-helix	trans	-51.4	-36.8	174.1	-175.9	-88.7	0	0	0	112.5	F696 Y697 A698 P749	H694-F696 VanDerWaalsContact C-N 3.29Å; H694-F696 PolarHBondContact O-N 3.37Å; H694-Y697 PolarHBondContact O-N 3.22Å; H694-A698 WeakPolarHBondContact O-CB 3.21Å; H694-A698 PolarHBondContact O-N 3.31Å; H694-P749 VanDerWaalsContact NE2-CD 3.32Å; H694-P749 WeakPolarHBondContact NE2-CD 3.48Å
695	A	70.9	Confident	72.3	Confident	55 Å²	55	62.3 Å²	62.3	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-69.6	-19.2	176.7	0	0	0	0	0	114.6	T693 R699	T693-A695 PolarHBondContact O-N 3.07Å; T693-A695 VanDerWaalsContact O-N 3.11Å; A695-R699 PolarHBondContact O-NE 2.78Å
696	F	78.9	Confident	73.2	Confident	55 Å²	55	61.9 Å²	61.9	24%	0.241	35%	0.345	C	S	.	.	H	α-helix	trans	-73.6	-53.2	172.4	175.4	-97.9	0	0	0	110.3	E691 T693 H694 A698 R699 K700	E691-F696 WeakPolarHBondContact O-CD1 3.38Å; T693-F696 WeakPolarHBondContact O-CA 3.37Å; T693-F696 VanDerWaalsContact O-CB 3.26Å; T693-F696 WeakPolarHBondContact O-CB 3.48Å; T693-F696 PolarHBondContact O-N 2.73Å; H694-F696 VanDerWaalsContact C-N 3.29Å; H694-F696 PolarHBondContact O-N 3.37Å; F696-A698 PolarHBondContact O-N 3.32Å; F696-R699 PolarHBondContact O-N 3.21Å; F696-K700 PolarHBondContact O-N 3.32Å
697	Y	80.4	Confident	74.4	Confident	39 Å²	39	59 Å²	59	15%	0.153	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-39.9	178	-68.9	-75.6	0	0	0	112.4	T693 H694 R699 K700 K750 I753	T693-Y697 PolarHBondContact O-N 3.13Å; H694-Y697 PolarHBondContact O-N 3.22Å; Y697-R699 VanDerWaalsContact C-N 3.29Å; Y697-R699 PolarHBondContact O-N 3.11Å; Y697-K700 PolarHBondContact O-N 3.2Å; Y697-K750 HydrophobicContact CD1-CB 4.34Å; Y697-K750 HydrophobicContact CD1-CG 4.22Å; Y697-K750 HydrophobicContact CD2-CB 4.02Å; Y697-K750 HydrophobicContact CD2-CD 4.1Å; Y697-K750 HydrophobicContact CD2-CG 4.03Å; Y697-K750 HydrophobicContact CE1-CG 4.03Å; Y697-K750 HydrophobicContact CE2-CB 4.32Å; Y697-K750 HydrophobicContact CE2-CD 3.61Å; Y697-K750 HydrophobicContact CE2-CG 3.82Å; Y697-K750 HydrophobicContact CG-CB 4.01Å; Y697-K750 HydrophobicContact CG-CG 4.22Å; Y697-K750 WeakPolarHBondContact OH-CE 3.29Å; Y697-I753 HydrophobicContact CD1-CB 4.21Å; Y697-I753 HydrophobicContact CD1-CG1 4.44Å; Y697-I753 HydrophobicContact CD1-CG2 4.19Å
698	A	81.3	Confident	76	Confident	28 Å²	28	56.9 Å²	56.9	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-59	-37.1	176	0	0	0	0	0	113	H694 F696 K700 L701 W702 P749	H694-A698 WeakPolarHBondContact O-CB 3.21Å; H694-A698 PolarHBondContact O-N 3.31Å; F696-A698 PolarHBondContact O-N 3.32Å; A698-K700 PolarHBondContact O-N 2.76Å; A698-L701 WeakPolarHBondContact O-CG 3.22Å; A698-L701 PolarHBondContact O-N 2.95Å; A698-W702 VanDerWaalsContact O-CZ3 3.27Å; A698-W702 WeakPolarHBondContact O-CZ3 3.42Å; A698-P749 HydrophobicContact CB-CB 4.4Å; A698-P749 HydrophobicContact CB-CG 4.41Å
699	R	81.3	Confident	77.8	Confident	86 Å²	86	55.8 Å²	55.8	33%	0.325	29%	0.287	S	S	.	.	H	α-helix	trans	-69.4	-20.4	176.3	-82.7	-179.8	-78.2	166.6	-7	113.6	C689 A695 F696 Y697	C689-R699 PolarHBondContact SG-NH2 3.46Å; A695-R699 PolarHBondContact O-NE 2.78Å; F696-R699 PolarHBondContact O-N 3.21Å; Y697-R699 VanDerWaalsContact C-N 3.29Å; Y697-R699 PolarHBondContact O-N 3.11Å
700	K	85.7	Confident	79.4	Confident	69 Å²	69	58.2 Å²	58.2	30%	0.3	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.8	-177.6	-70.1	-69.1	-170.7	171.4	0	113.6	F696 Y697 A698 W702 T703 L708 I753	F696-K700 PolarHBondContact O-N 3.32Å; Y697-K700 PolarHBondContact O-N 3.2Å; A698-K700 PolarHBondContact O-N 2.76Å; K700-W702 PolarHBondContact O-N 3.49Å; K700-W702 VanDerWaalsContact O-N 3.17Å; K700-T703 VanDerWaalsContact O-CB 3.24Å; K700-T703 WeakPolarHBondContact O-CB 3.4Å; K700-T703 PolarHBondContact O-N 3.32Å; K700-T703 PolarHBondContact O-OG1 3.35Å; K700-L708 HydrophobicContact CB-CD2 4.22Å; K700-L708 HydrophobicContact CD-CD2 4.07Å; K700-L708 HydrophobicContact CG-CD2 4.47Å; K700-I753 HydrophobicContact CB-CD1 3.88Å; K700-I753 HydrophobicContact CB-CG1 4.35Å; K700-I753 WeakPolarHBondContact O-CD1 3.37Å
701	L	87.8	Confident	80.2	Confident	14 Å²	14	63.3 Å²	63.3	7%	0.073	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.2	-177.6	-68.5	173.6	0	0	0	114.3	A698 V739 P749 I752 I753	A698-L701 WeakPolarHBondContact O-CG 3.22Å; A698-L701 PolarHBondContact O-N 2.95Å; L701-V739 HydrophobicContact CB-CG1 3.86Å; L701-V739 HydrophobicContact CD1-CB 4.28Å; L701-V739 HydrophobicContact CD1-CG1 4.04Å; L701-P749 HydrophobicContact CD1-CB 4.34Å; L701-P749 HydrophobicContact CD2-CB 4.3Å; L701-I752 HydrophobicContact CD2-CB 4.17Å; L701-I752 HydrophobicContact CD2-CD1 4.4Å; L701-I752 HydrophobicContact CD2-CG2 3.85Å; L701-I753 HydrophobicContact CD2-CD1 4.21Å; L701-I753 HydrophobicContact CD2-CG1 4.23Å
702	W	90.8	Very high	81	Confident	19 Å²	19	61.5 Å²	61.5	7%	0.072	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-7.1	174.5	-61.3	-91.8	0	0	0	113.6	L661 K662 A698 K700 S725 V728 E732 V739	L661-W702 WeakPolarHBondContact O-CB 3.27Å; K662-W702 HydrophobicContact CB-CD2 3.66Å; K662-W702 HydrophobicContact CB-CE3 3.98Å; K662-W702 HydrophobicContact CB-CG 3.94Å; K662-W702 HydrophobicContact CB-CZ2 4.26Å; K662-W702 HydrophobicContact CB-CZ3 4.42Å; A698-W702 VanDerWaalsContact O-CZ3 3.27Å; A698-W702 WeakPolarHBondContact O-CZ3 3.42Å; K700-W702 PolarHBondContact O-N 3.49Å; K700-W702 VanDerWaalsContact O-N 3.17Å; W702-S725 WeakPolarHBondContact O-CA 3.38Å; W702-S725 PolarHBondContact O-OG 3.29Å; W702-V728 HydrophobicContact CG-CG1 4.46Å; W702-E732 PolarHBondContact NE1-OE1 3.23Å; W702-V739 HydrophobicContact CD2-CG1 4.09Å; W702-V739 VanDerWaalsContact CE2-CG1 3.49Å; W702-V739 HydrophobicContact CE3-CG1 4.45Å; W702-V739 HydrophobicContact CH2-CB 4.25Å; W702-V739 HydrophobicContact CH2-CG1 3.81Å; W702-V739 HydrophobicContact CH2-CG2 3.52Å; W702-V739 HydrophobicContact CZ2-CB 3.95Å; W702-V739 HydrophobicContact CZ2-CG1 3.38Å; W702-V739 HydrophobicContact CZ2-CG2 3.24Å; W702-V739 HydrophobicContact CZ3-CG1 4.31Å
703	T	89.6	Confident	81.9	Confident	23 Å²	23	58.2 Å²	58.2	14%	0.141	30%	0.299	C	S	.	.	S	Bend	trans	-79	132.7	-174.9	-53.1	0	0	0	0	110.3	K700 L707 L708	K700-T703 VanDerWaalsContact O-CB 3.24Å; K700-T703 WeakPolarHBondContact O-CB 3.4Å; K700-T703 PolarHBondContact O-N 3.32Å; K700-T703 PolarHBondContact O-OG1 3.35Å; T703-L707 HydrophobicContact CG2-CB 3.9Å; T703-L708 HydrophobicContact CG2-CD2 3.76Å; T703-L708 HydrophobicContact CG2-CG 3.86Å; T703-L708 WeakPolarHBondContact O-CD1 3.15Å
704	A	90.2	Very high	82.4	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.008	30%	0.3	C	S	.	.			trans	-64.8	147.1	-179	0	0	0	0	0	112.9	E706 L707 L708 Y724	A704-E706 VanDerWaalsContact C-N 3.3Å; A704-E706 VanDerWaalsContact CB-CD 3.46Å; A704-E706 VanDerWaalsContact CB-OE1 3.26Å; A704-E706 WeakPolarHBondContact CB-OE1 3.35Å; A704-E706 VanDerWaalsContact CB-OE2 3.24Å; A704-E706 WeakPolarHBondContact CB-OE2 3.46Å; A704-E706 PolarHBondContact O-N 2.81Å; A704-L707 HydrophobicContact CB-CD1 4.4Å; A704-L707 PolarHBondContact O-N 3.1Å; A704-L708 PolarHBondContact O-N 3.27Å; A704-L708 VanDerWaalsContact O-N 3.12Å; A704-Y724 VanDerWaalsContact CA-CD1 3.48Å; A704-Y724 HydrophobicContact CB-CD1 3.89Å; A704-Y724 HydrophobicContact CB-CD2 4.3Å; A704-Y724 HydrophobicContact CB-CG 3.71Å
705	P	88.3	Confident	82.1	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-38.4	-174.9	21.8	-32.9	0	0	0	113	L707 L708 R709 Y724 V756	P705-L707 VanDerWaalsContact C-N 3.27Å; P705-L707 PolarHBondContact O-N 3.33Å; P705-L708 PolarHBondContact O-N 3.31Å; P705-L708 VanDerWaalsContact O-N 3.16Å; P705-R709 WeakPolarHBondContact O-CG 3.47Å; P705-R709 PolarHBondContact O-N 2.94Å; P705-Y724 VanDerWaalsContact CD-CE2 3.48Å; P705-Y724 HydrophobicContact CG-CE2 4.29Å; P705-V756 HydrophobicContact CB-CG1 3.95Å
706	E	88.1	Confident	82.1	Confident	35 Å²	35	56.7 Å²	56.7	16%	0.164	30%	0.3	C	S	.	.	H	α-helix	trans	-64.1	-32.5	178.3	72.4	-78.8	-172.5	0	0	112.6	A704 M710 P789 R792	A704-E706 VanDerWaalsContact C-N 3.3Å; A704-E706 VanDerWaalsContact CB-CD 3.46Å; A704-E706 VanDerWaalsContact CB-OE1 3.26Å; A704-E706 WeakPolarHBondContact CB-OE1 3.35Å; A704-E706 VanDerWaalsContact CB-OE2 3.24Å; A704-E706 WeakPolarHBondContact CB-OE2 3.46Å; A704-E706 PolarHBondContact O-N 2.81Å; E706-M710 WeakPolarHBondContact O-CG 3.38Å; E706-M710 PolarHBondContact O-N 2.99Å; E706-P789 HydrophobicContact CB-CG 4.29Å; E706-P789 HydrophobicContact CG-CG 3.91Å; E706-R792 IonicContact OE1-CZ 3.46Å; E706-R792 IonicContact OE1-NH1 3.27Å; E706-R792 PolarHBondContact OE1-NH1 3.14Å; E706-R792 IonicContact OE1-NH2 2.76Å; E706-R792 IonicContact OE2-CZ 3.15Å; E706-R792 IonicContact OE2-NH1 2.69Å; E706-R792 PolarHBondContact OE2-NH1 2.61Å; E706-R792 IonicContact OE2-NH2 2.7Å; E706-R792 PolarHBondContact OE2-NH2 2.58Å
707	L	86.6	Confident	82.4	Confident	19 Å²	19	54.5 Å²	54.5	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-79.7	-26.6	177.1	-64	177.5	0	0	0	112.1	T703 A704 P705 M710 P713 P714 T718	T703-L707 HydrophobicContact CG2-CB 3.9Å; A704-L707 HydrophobicContact CB-CD1 4.4Å; A704-L707 PolarHBondContact O-N 3.1Å; P705-L707 VanDerWaalsContact C-N 3.27Å; P705-L707 PolarHBondContact O-N 3.33Å; L707-M710 HydrophobicContact CD2-SD 4.35Å; L707-P713 HydrophobicContact CD2-CB 4.42Å; L707-P714 HydrophobicContact CD2-CG 4.38Å; L707-T718 HydrophobicContact CD2-CG2 4.14Å
708	L	85.8	Confident	82.8	Confident	31 Å²	31	55 Å²	55	16%	0.162	30%	0.299	C	S	.	.	H	α-helix	trans	-76.6	-30.3	175.5	-68.3	173.5	0	0	0	112.5	K700 T703 A704 P705 I753 V756 I757	K700-L708 HydrophobicContact CB-CD2 4.22Å; K700-L708 HydrophobicContact CD-CD2 4.07Å; K700-L708 HydrophobicContact CG-CD2 4.47Å; T703-L708 HydrophobicContact CG2-CD2 3.76Å; T703-L708 HydrophobicContact CG2-CG 3.86Å; T703-L708 WeakPolarHBondContact O-CD1 3.15Å; A704-L708 PolarHBondContact O-N 3.27Å; A704-L708 VanDerWaalsContact O-N 3.12Å; P705-L708 PolarHBondContact O-N 3.31Å; P705-L708 VanDerWaalsContact O-N 3.16Å; L708-I753 HydrophobicContact CD1-CD1 3.97Å; L708-I753 HydrophobicContact CD1-CG2 4.43Å; L708-V756 HydrophobicContact CD1-CG1 4.26Å; L708-I757 HydrophobicContact CB-CD1 4.4Å; L708-I757 HydrophobicContact CB-CG1 3.9Å
709	R	86.9	Confident	83.3	Confident	97 Å²	97	57.3 Å²	57.3	37%	0.366	31%	0.306	S	S	.	.	H	α-helix	trans	-80.7	-19.8	177.5	-67.8	175.9	-167.5	135.8	11.5	113.6	P705 V756 I757 E787	P705-R709 WeakPolarHBondContact O-CG 3.47Å; P705-R709 PolarHBondContact O-N 2.94Å; R709-V756 PolarHBondContact NH2-O 3.32Å; R709-V756 VanDerWaalsContact NH2-O 3.1Å; R709-I757 HydrophobicContact CG-CG2 4.3Å; R709-I757 PolarHBondContact NE-O 2.7Å; R709-E787 IonicContact CZ-OE1 3.77Å; R709-E787 IonicContact NH1-OE1 2.91Å; R709-E787 PolarHBondContact NH1-OE1 2.77Å; R709-E787 IonicContact NH2-OE1 3.76Å; R709-E787 PolarHBondContact NH2-OE1 2.82Å
710	M	83.3	Confident	83.8	Confident	100 Å²	100	57.3 Å²	57.3	49%	0.493	31%	0.305	S	S	.	.			trans	-71.3	132.7	177.1	-80.4	179.8	163.9	0	0	111.6	E706 L707 C712 P713	E706-M710 WeakPolarHBondContact O-CG 3.38Å; E706-M710 PolarHBondContact O-N 2.99Å; L707-M710 HydrophobicContact CD2-SD 4.35Å; M710-C712 VanDerWaalsContact C-N 3.3Å; M710-C712 PolarHBondContact O-N 2.78Å; M710-P713 HydrophobicContact CB-CB 4.32Å
711	E	71.3	Confident	84.1	Confident	197 Å²	197	54.1 Å²	54.1	92%	0.921	29%	0.293	S	S	*	.	S	Bend	trans	-64.3	-35.8	173.8	-66.7	-176.8	166	0	0	112.2
712	C	72.8	Confident	84.3	Confident	117 Å²	117	53.6 Å²	53.6	79%	0.791	29%	0.29	S	S	*	.	S	Bend	trans	-134.1	80.4	178.7	-71.1	0	0	0	0	110.9	M710	M710-C712 VanDerWaalsContact C-N 3.3Å; M710-C712 PolarHBondContact O-N 2.78Å
713	P	77.3	Confident	84.4	Confident	50 Å²	50	52.7 Å²	52.7	33%	0.325	29%	0.286	S	S	.	.			trans	-67	145.7	179	27	-32.9	0	0	0	111.1	L707 M710 C715	L707-P713 HydrophobicContact CD2-CB 4.42Å; M710-P713 HydrophobicContact CB-CB 4.32Å; P713-C715 PolarHBondContact O-N 2.85Å
714	P	78.8	Confident	84.6	Confident	58 Å²	58	51.7 Å²	51.7	38%	0.377	28%	0.28	S	S	.	.			trans	-59.1	130	176.3	24.6	-32.8	0	0	0	109.8	L707 S716 G717 T718	L707-P714 HydrophobicContact CD2-CG 4.38Å; P714-S716 PolarHBondContact O-N 2.84Å; P714-G717 WeakPolarHBondContact O-CA 3.46Å; P714-G717 PolarHBondContact O-N 2.88Å; P714-T718 HydrophobicContact CG-CG2 4.07Å
715	C	68.4	Low	84.8	Confident	90 Å²	90	52 Å²	52	61%	0.608	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-29.8	-177.7	-69.7	0	0	0	0	112.6	Q682 P713 G717	Q682-C715 VanDerWaalsContact CD-O 3.25Å; Q682-C715 HydrophobicContact CG-CB 3.79Å; Q682-C715 VanDerWaalsContact CG-O 3.28Å; Q682-C715 WeakPolarHBondContact CG-O 3.22Å; Q682-C715 PolarHBondContact NE2-O 3.33Å; P713-C715 PolarHBondContact O-N 2.85Å; C715-G717 PolarHBondContact O-N 2.89Å
716	S	71.6	Confident	85	Confident	63 Å²	63	52.1 Å²	52.1	44%	0.441	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-4.8	174.3	52.9	0	0	0	0	114	S657 G659 P714	S657-S716 PolarHBondContact OG-O 3.35Å; G659-S716 WeakPolarHBondContact CA-O 3.41Å; P714-S716 PolarHBondContact O-N 2.84Å
717	G	83.4	Confident	85.2	Confident	9 Å²	9	50.4 Å²	50.4	9%	0.093	28%	0.275	C	S	.	.			trans	61.7	-161.8	-168.8	0	0	0	0	0	112.3	P714 C715	P714-G717 WeakPolarHBondContact O-CA 3.46Å; P714-G717 PolarHBondContact O-N 2.88Å; C715-G717 PolarHBondContact O-N 2.89Å
718	T	89.4	Confident	85.3	Confident	48 Å²	48	49.5 Å²	49.5	29%	0.294	27%	0.27	S	S	.	.			trans	-131.4	153.2	177.5	62.5	0	0	0	0	109.6	L707 P714 R720 G721 D722	L707-T718 HydrophobicContact CD2-CG2 4.14Å; P714-T718 HydrophobicContact CG-CG2 4.07Å; T718-R720 PolarHBondContact O-N 3.24Å; T718-G721 PolarHBondContact O-N 3.33Å; T718-G721 PolarHBondContact OG1-N 2.94Å; T718-D722 PolarHBondContact O-N 3.4Å
719	Q	91.3	Very high	85.6	Confident	78 Å²	78	48.1 Å²	48.1	36%	0.364	26%	0.263	S	S	.	.	H	α-helix	trans	-57.5	-39.6	176.2	-70.2	-176.6	-3.2	0	0	112	H651 V656 G721 D722 V723	H651-Q719 PolarHBondContact CE1-O 2.95Å; H651-Q719 PolarHBondContact O-NE2 2.88Å; V656-Q719 VanDerWaalsContact O-CG 3.25Å; V656-Q719 WeakPolarHBondContact O-CG 3.48Å; V656-Q719 PolarHBondContact O-NE2 3.18Å; Q719-G721 VanDerWaalsContact C-N 3.32Å; Q719-G721 PolarHBondContact O-N 3.32Å; Q719-D722 PolarHBondContact O-N 3.38Å; Q719-V723 WeakPolarHBondContact O-CG2 3.45Å; Q719-V723 PolarHBondContact O-N 3.27Å
720	R	92.5	Very high	85.7	Confident	85 Å²	85	43.5 Å²	43.5	32%	0.321	25%	0.245	S	C	.	.	H	α-helix	trans	-70	-27.4	176.9	-59.3	-58.9	-174.6	-169.7	-5.4	113.1	T718 Y724 P789 R792	T718-R720 PolarHBondContact O-N 3.24Å; R720-Y724 PolarHBondContact O-N 3.42Å; R720-P789 HydrophobicContact CB-CB 4.03Å; R720-P789 VanDerWaalsContact CD-O 3.28Å; R720-P789 WeakPolarHBondContact CD-O 3.5Å; R720-P789 HydrophobicContact CG-CB 4.35Å; R720-P789 WeakPolarHBondContact CG-O 3.41Å; R720-R792 PolarHBondContact NH1-O 3.39Å; R720-R792 PolarHBondContact O-NH1 2.9Å
721	G	91.2	Very high	85.9	Confident	3 Å²	3	38.8 Å²	38.8	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-71.1	-35.8	171.9	0	0	0	0	0	112.6	T718 Q719 V723 Y724 S725	T718-G721 PolarHBondContact O-N 3.33Å; T718-G721 PolarHBondContact OG1-N 2.94Å; Q719-G721 VanDerWaalsContact C-N 3.32Å; Q719-G721 PolarHBondContact O-N 3.32Å; G721-V723 VanDerWaalsContact C-N 3.32Å; G721-V723 PolarHBondContact O-N 2.93Å; G721-Y724 WeakPolarHBondContact O-CB 3.29Å; G721-Y724 PolarHBondContact O-N 3.4Å; G721-S725 PolarHBondContact O-N 2.82Å; G721-S725 PolarHBondContact O-OG 3.29Å
722	D	92.8	Very high	86.7	Confident	2 Å²	2	29.7 Å²	29.7	1%	0.011	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-36.1	173.4	-66	-27.3	0	0	0	111.7	M647 H651 S657 H658 G659 T718 Q719 S725 F726 F795	M647-D722 HydrophobicContact CE-CB 3.64Å; H651-D722 IonicContact CD2-OD2 2.74Å; H651-D722 IonicContact CE1-OD2 3.58Å; H651-D722 IonicContact NE2-OD2 3.11Å; H651-D722 PolarHBondContact NE2-OD2 2.82Å; S657-D722 WeakPolarHBondContact CB-OD2 3.35Å; H658-D722 PolarHBondContact N-OD2 3.15Å; G659-D722 PolarHBondContact N-OD1 3.42Å; T718-D722 PolarHBondContact O-N 3.4Å; Q719-D722 PolarHBondContact O-N 3.38Å; D722-S725 WeakPolarHBondContact O-CB 3.38Å; D722-S725 PolarHBondContact O-N 2.79Å; D722-F726 WeakPolarHBondContact O-CB 3.32Å; D722-F726 PolarHBondContact O-N 3.43Å; D722-F795 HydrophobicContact CB-CE2 4.21Å
723	V	93.9	Very high	87.3	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-39.6	175.6	175.8	0	0	0	0	111.5	Q719 G721 F726 G727 C784 R792 P793 F795 I798	Q719-V723 WeakPolarHBondContact O-CG2 3.45Å; Q719-V723 PolarHBondContact O-N 3.27Å; G721-V723 VanDerWaalsContact C-N 3.32Å; G721-V723 PolarHBondContact O-N 2.93Å; V723-F726 WeakPolarHBondContact O-CB 3.46Å; V723-F726 PolarHBondContact O-N 3.13Å; V723-G727 PolarHBondContact O-N 3.45Å; V723-C784 HydrophobicContact CG1-CB 4.14Å; V723-R792 HydrophobicContact CG1-CB 3.95Å; V723-P793 WeakPolarHBondContact CG1-O 3.34Å; V723-P793 WeakPolarHBondContact CG2-O 3.38Å; V723-F795 HydrophobicContact CG2-CD2 4.01Å; V723-F795 HydrophobicContact CG2-CE2 3.71Å; V723-F795 HydrophobicContact CG2-CZ 4.35Å; V723-I798 HydrophobicContact CG1-CD1 4.09Å
724	Y	93.5	Very high	87.6	Confident	2 Å²	2	22.4 Å²	22.4	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-61.8	-46.8	172.7	-179.8	-82.9	0	0	0	111.3	A704 P705 R720 G721 F726 G727 V728 C784 W785	A704-Y724 VanDerWaalsContact CA-CD1 3.48Å; A704-Y724 HydrophobicContact CB-CD1 3.89Å; A704-Y724 HydrophobicContact CB-CD2 4.3Å; A704-Y724 HydrophobicContact CB-CG 3.71Å; P705-Y724 VanDerWaalsContact CD-CE2 3.48Å; P705-Y724 HydrophobicContact CG-CE2 4.29Å; R720-Y724 PolarHBondContact O-N 3.42Å; G721-Y724 WeakPolarHBondContact O-CB 3.29Å; G721-Y724 PolarHBondContact O-N 3.4Å; Y724-F726 VanDerWaalsContact C-N 3.25Å; Y724-F726 PolarHBondContact O-N 3.01Å; Y724-G727 WeakPolarHBondContact O-CA 3.47Å; Y724-G727 PolarHBondContact O-N 3.34Å; Y724-V728 HydrophobicContact CD1-CG2 4.35Å; Y724-V728 HydrophobicContact CE1-CG2 3.94Å; Y724-V728 PolarHBondContact O-N 2.89Å; Y724-C784 WeakPolarHBondContact CA-O 3.2Å; Y724-W785 HydrophobicContact CD2-CB 3.83Å; Y724-W785 HydrophobicContact CE2-CB 3.77Å
725	S	93	Very high	87.6	Confident	8 Å²	8	21.2 Å²	21.2	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-57.2	-41.7	177.4	-52.2	0	0	0	0	111.2	L661 W702 G721 D722 V728 I729	L661-S725 WeakPolarHBondContact O-CB 3.46Å; W702-S725 WeakPolarHBondContact O-CA 3.38Å; W702-S725 PolarHBondContact O-OG 3.29Å; G721-S725 PolarHBondContact O-N 2.82Å; G721-S725 PolarHBondContact O-OG 3.29Å; D722-S725 WeakPolarHBondContact O-CB 3.38Å; D722-S725 PolarHBondContact O-N 2.79Å; S725-V728 PolarHBondContact O-N 2.88Å; S725-I729 WeakPolarHBondContact O-CG1 3.31Å; S725-I729 PolarHBondContact O-N 2.83Å; S725-I729 VanDerWaalsContact O-N 3.1Å
726	F	93.9	Very high	88.2	Confident	1 Å²	1	19.9 Å²	19.9	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-63.4	-38.2	174.2	174.3	-104.3	0	0	0	112.8	I640 I643 V644 L661 D722 V723 Y724 V728 I729 L730 F795 I798	I640-F726 HydrophobicContact CG2-CE2 4.39Å; I640-F726 HydrophobicContact CG2-CZ 3.99Å; I643-F726 HydrophobicContact CB-CD2 4.5Å; I643-F726 HydrophobicContact CB-CE2 4.2Å; I643-F726 HydrophobicContact CG2-CD2 3.64Å; I643-F726 HydrophobicContact CG2-CE2 3.82Å; V644-F726 HydrophobicContact CG2-CE1 4.13Å; V644-F726 HydrophobicContact CG2-CE2 3.72Å; V644-F726 HydrophobicContact CG2-CZ 3.39Å; L661-F726 HydrophobicContact CD2-CB 4.3Å; D722-F726 WeakPolarHBondContact O-CB 3.32Å; D722-F726 PolarHBondContact O-N 3.43Å; V723-F726 WeakPolarHBondContact O-CB 3.46Å; V723-F726 PolarHBondContact O-N 3.13Å; Y724-F726 VanDerWaalsContact C-N 3.25Å; Y724-F726 PolarHBondContact O-N 3.01Å; F726-V728 VanDerWaalsContact C-N 3.31Å; F726-V728 PolarHBondContact O-N 3.17Å; F726-I729 PolarHBondContact O-N 3.37Å; F726-L730 HydrophobicContact CE1-CD2 4.25Å; F726-L730 WeakPolarHBondContact O-CB 3.3Å; F726-L730 PolarHBondContact O-N 3.41Å; F726-F795 HydrophobicContact CB-CE1 4.02Å; F726-F795 HydrophobicContact CB-CZ 3.86Å; F726-F795 HydrophobicContact CD1-CE1 4.14Å; F726-F795 HydrophobicContact CD2-CE1 4.09Å; F726-F795 AromaticContact CG-CE1 3.81Å; F726-F795 HydrophobicContact CG-CE1 3.81Å; F726-F795 HydrophobicContact CG-CZ 4.18Å; F726-I798 HydrophobicContact CD1-CD1 4.26Å; F726-I798 HydrophobicContact CE1-CD1 4.34Å; F726-I798 HydrophobicContact CE1-CG2 3.9Å; F726-I798 HydrophobicContact CZ-CG2 4.37Å
727	G	90.9	Very high	88.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-39	174.5	0	0	0	0	0	113.2	V723 Y724 L730 Q731	V723-G727 PolarHBondContact O-N 3.45Å; Y724-G727 WeakPolarHBondContact O-CA 3.47Å; Y724-G727 PolarHBondContact O-N 3.34Å; G727-L730 PolarHBondContact O-N 3.32Å; G727-Q731 PolarHBondContact O-N 2.86Å
728	V	90.3	Very high	88	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.8	-44.1	174.7	-179.8	0	0	0	0	111.2	W702 Y724 S725 F726 L730 Q731 E732 V739	W702-V728 HydrophobicContact CG-CG1 4.46Å; Y724-V728 HydrophobicContact CD1-CG2 4.35Å; Y724-V728 HydrophobicContact CE1-CG2 3.94Å; Y724-V728 PolarHBondContact O-N 2.89Å; S725-V728 PolarHBondContact O-N 2.88Å; F726-V728 VanDerWaalsContact C-N 3.31Å; F726-V728 PolarHBondContact O-N 3.17Å; V728-L730 VanDerWaalsContact C-N 3.28Å; V728-L730 PolarHBondContact O-N 3.19Å; V728-Q731 VanDerWaalsContact O-CB 3.31Å; V728-Q731 WeakPolarHBondContact O-CB 3.29Å; V728-Q731 PolarHBondContact O-N 3.01Å; V728-Q731 VanDerWaalsContact O-N 3.12Å; V728-E732 PolarHBondContact O-N 3.12Å; V728-E732 VanDerWaalsContact O-N 3.11Å; V728-V739 HydrophobicContact CG1-CG1 4.22Å
729	I	91	Very high	87.7	Confident	1 Å²	1	23 Å²	23	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-62.5	-37.1	176.1	-64.6	166.5	0	0	0	111.2	L620 I643 L661 S725 F726 Q731 E732 V733	L620-I729 HydrophobicContact CD2-CG2 3.89Å; I643-I729 HydrophobicContact CD1-CG2 4.05Å; L661-I729 HydrophobicContact CD2-CD1 4.25Å; L661-I729 HydrophobicContact CG-CD1 3.83Å; S725-I729 WeakPolarHBondContact O-CG1 3.31Å; S725-I729 PolarHBondContact O-N 2.83Å; S725-I729 VanDerWaalsContact O-N 3.1Å; F726-I729 PolarHBondContact O-N 3.37Å; I729-Q731 PolarHBondContact O-N 3.49Å; I729-E732 WeakPolarHBondContact O-CB 3.45Å; I729-E732 PolarHBondContact O-N 3.27Å; I729-V733 HydrophobicContact CG2-CG2 4.35Å; I729-V733 WeakPolarHBondContact O-CG2 3.29Å; I729-V733 PolarHBondContact O-N 3.1Å
730	L	89.1	Confident	87.3	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-34.3	177.6	-170.7	57	0	0	0	111.3	I640 F726 G727 V728 A734 L777 L780 M781	I640-L730 HydrophobicContact CB-CD1 4.45Å; I640-L730 HydrophobicContact CD1-CD1 3.45Å; I640-L730 VanDerWaalsContact CD1-CD1 3.45Å; I640-L730 HydrophobicContact CG1-CD1 3.7Å; I640-L730 HydrophobicContact CG2-CD1 3.85Å; F726-L730 HydrophobicContact CE1-CD2 4.25Å; F726-L730 WeakPolarHBondContact O-CB 3.3Å; F726-L730 PolarHBondContact O-N 3.41Å; G727-L730 PolarHBondContact O-N 3.32Å; V728-L730 VanDerWaalsContact C-N 3.28Å; V728-L730 PolarHBondContact O-N 3.19Å; L730-A734 WeakPolarHBondContact O-CB 3.23Å; L730-A734 PolarHBondContact O-N 3.34Å; L730-L777 HydrophobicContact CD1-CD1 4.23Å; L730-L777 HydrophobicContact CD1-CD2 4.5Å; L730-L777 HydrophobicContact CD2-CD1 4.04Å; L730-L780 HydrophobicContact CD2-CD2 4.47Å; L730-M781 HydrophobicContact CB-CG 4.13Å; L730-M781 HydrophobicContact CD2-CB 4.49Å; L730-M781 HydrophobicContact CD2-CG 3.37Å; L730-M781 HydrophobicContact CD2-SD 4.48Å; L730-M781 HydrophobicContact CG-CG 3.58Å; L730-M781 HydrophobicContact CG-SD 4.14Å
731	Q	87.6	Confident	86.8	Confident	1 Å²	1	18.5 Å²	18.5	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-68.1	-45.8	172.2	-165.7	-147.2	22.2	0	0	112.3	G727 V728 I729 V733 A734 L735 Y741 P766 S767 M781 W785	G727-Q731 PolarHBondContact O-N 2.86Å; V728-Q731 VanDerWaalsContact O-CB 3.31Å; V728-Q731 WeakPolarHBondContact O-CB 3.29Å; V728-Q731 PolarHBondContact O-N 3.01Å; V728-Q731 VanDerWaalsContact O-N 3.12Å; I729-Q731 PolarHBondContact O-N 3.49Å; Q731-V733 VanDerWaalsContact C-N 3.33Å; Q731-V733 PolarHBondContact O-N 3.3Å; Q731-A734 PolarHBondContact O-N 3.38Å; Q731-L735 HydrophobicContact CG-CD1 3.88Å; Q731-L735 HydrophobicContact CG-CG 4.38Å; Q731-L735 PolarHBondContact O-N 3.43Å; Q731-Y741 PolarHBondContact NE2-O 2.66Å; Q731-P766 HydrophobicContact CG-CB 4.29Å; Q731-S767 PolarHBondContact NE2-O 3.5Å; Q731-M781 HydrophobicContact CB-CE 3.46Å; Q731-M781 VanDerWaalsContact CB-CE 3.46Å; Q731-M781 HydrophobicContact CG-CE 3.77Å; Q731-W785 HydrophobicContact CB-CZ3 4.07Å; Q731-W785 HydrophobicContact CG-CH2 4.47Å; Q731-W785 HydrophobicContact CG-CZ3 4.42Å
732	E	87.9	Confident	86.4	Confident	5 Å²	5	19.6 Å²	19.6	2%	0.023	11%	0.111	C	C	.	.	H	α-helix	trans	-54.7	-50.3	176.9	-75.4	174.7	-101.5	0	0	110.6	M624 S663 W702 V728 I729 A734 L736	M624-E732 HydrophobicContact CE-CB 3.96Å; M624-E732 WeakPolarHBondContact CE-O 3.32Å; M624-E732 HydrophobicContact SD-CB 4.37Å; S663-E732 VanDerWaalsContact CB-OE2 3.27Å; S663-E732 WeakPolarHBondContact CB-OE2 3.3Å; S663-E732 PolarHBondContact OG-OE2 3.12Å; W702-E732 PolarHBondContact NE1-OE1 3.23Å; V728-E732 PolarHBondContact O-N 3.12Å; V728-E732 VanDerWaalsContact O-N 3.11Å; I729-E732 WeakPolarHBondContact O-CB 3.45Å; I729-E732 PolarHBondContact O-N 3.27Å; E732-A734 PolarHBondContact O-N 2.89Å; E732-L736 VanDerWaalsContact O-CA 3.31Å; E732-L736 WeakPolarHBondContact O-CA 3.5Å; E732-L736 PolarHBondContact O-N 2.9Å
733	V	86.4	Confident	85.4	Confident	4 Å²	4	24.2 Å²	24.2	2%	0.024	14%	0.136	C	C	.	.	H	α-helix	trans	-66	-39	177.8	178.3	0	0	0	0	111.4	L620 R636 I640 I729 Q731	L620-V733 HydrophobicContact CD1-CG2 4.33Å; L620-V733 HydrophobicContact CD2-CG2 3.73Å; L620-V733 HydrophobicContact CG-CG2 4.37Å; R636-V733 HydrophobicContact CB-CG1 3.75Å; R636-V733 VanDerWaalsContact CD-O 3.24Å; R636-V733 WeakPolarHBondContact CD-O 3.45Å; R636-V733 HydrophobicContact CG-CG1 3.88Å; I640-V733 HydrophobicContact CD1-CG1 4.02Å; I640-V733 HydrophobicContact CG1-CG1 4.11Å; I729-V733 HydrophobicContact CG2-CG2 4.35Å; I729-V733 WeakPolarHBondContact O-CG2 3.29Å; I729-V733 PolarHBondContact O-N 3.1Å; Q731-V733 VanDerWaalsContact C-N 3.33Å; Q731-V733 PolarHBondContact O-N 3.3Å
734	A	82.1	Confident	83.9	Confident	10 Å²	10	28.4 Å²	28.4	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-47.3	-178.3	0	0	0	0	0	112.6	W633 R636 L730 Q731 E732	W633-A734 HydrophobicContact CH2-CB 3.91Å; W633-A734 HydrophobicContact CZ3-CB 4.41Å; R636-A734 PolarHBondContact NH1-O 3.26Å; R636-A734 VanDerWaalsContact NH1-O 3.08Å; L730-A734 WeakPolarHBondContact O-CB 3.23Å; L730-A734 PolarHBondContact O-N 3.34Å; Q731-A734 PolarHBondContact O-N 3.38Å; E732-A734 PolarHBondContact O-N 2.89Å
735	L	79.9	Confident	82.5	Confident	34 Å²	34	36.5 Å²	36.5	18%	0.178	20%	0.203	C	C	.	.	H	α-helix	trans	-94.1	-16.7	-172.4	-60	-178.1	0	0	0	113.6	Q731 K737 Y741 C769	Q731-L735 HydrophobicContact CG-CD1 3.88Å; Q731-L735 HydrophobicContact CG-CG 4.38Å; Q731-L735 PolarHBondContact O-N 3.43Å; L735-K737 HydrophobicContact CB-CB 4.22Å; L735-K737 HydrophobicContact CB-CG 4.29Å; L735-K737 PolarHBondContact O-N 3.39Å; L735-Y741 HydrophobicContact CD1-CD1 3.74Å; L735-Y741 HydrophobicContact CD1-CE1 4.37Å; L735-C769 HydrophobicContact CD2-CB 3.53Å
736	L	80.3	Confident	81.3	Confident	62 Å²	62	42.1 Å²	42.1	33%	0.325	24%	0.242	S	C	.	.			trans	50.9	33.3	-170.2	-58.9	-179.5	0	0	0	112.8	M624 L631 R636 E732	M624-L736 HydrophobicContact CE-CD2 4.18Å; M624-L736 HydrophobicContact CG-CD2 4Å; L631-L736 HydrophobicContact CB-CD1 4.26Å; L631-L736 HydrophobicContact CD1-CD1 4.4Å; L631-L736 HydrophobicContact CD1-CD2 3.66Å; R636-L736 VanDerWaalsContact NH2-CD1 3.33Å; E732-L736 VanDerWaalsContact O-CA 3.31Å; E732-L736 WeakPolarHBondContact O-CA 3.5Å; E732-L736 PolarHBondContact O-N 2.9Å
737	K	75.3	Confident	80.7	Confident	97 Å²	97	45.4 Å²	45.4	42%	0.422	26%	0.259	S	S	.	.			trans	-113.4	162.9	176.1	-68.6	-174.9	-179.7	178.9	0	108.9	L735 Y741	L735-K737 HydrophobicContact CB-CB 4.22Å; L735-K737 HydrophobicContact CB-CG 4.29Å; L735-K737 PolarHBondContact O-N 3.39Å; K737-Y741 HydrophobicContact CB-CD2 3.99Å; K737-Y741 HydrophobicContact CB-CG 3.99Å; K737-Y741 HydrophobicContact CD-CD1 3.93Å; K737-Y741 HydrophobicContact CD-CD2 3.68Å; K737-Y741 HydrophobicContact CD-CE1 3.73Å; K737-Y741 HydrophobicContact CD-CE2 3.46Å; K737-Y741 VanDerWaalsContact CD-CE2 3.46Å; K737-Y741 HydrophobicContact CD-CG 3.91Å; K737-Y741 HydrophobicContact CG-CD2 4.45Å; K737-Y741 VanDerWaalsContact NZ-CZ 3.28Å; K737-Y741 PolarHBondContact NZ-OH 3.46Å
738	G	75	Confident	80.3	Confident	55 Å²	55	47.5 Å²	47.5	57%	0.567	27%	0.274	S	S	*	.			trans	-54.4	163.7	179.4	0	0	0	0	0	113.6	Y741	G738-Y741 WeakPolarHBondContact O-CB 3.48Å
739	V	83.4	Confident	80	Confident	34 Å²	34	48.4 Å²	48.4	21%	0.206	28%	0.28	C	S	.	.	S	Bend	trans	-52.9	137.3	-177.1	-169.1	0	0	0	0	112.2	L701 W702 V728 Y741	L701-V739 HydrophobicContact CB-CG1 3.86Å; L701-V739 HydrophobicContact CD1-CB 4.28Å; L701-V739 HydrophobicContact CD1-CG1 4.04Å; W702-V739 HydrophobicContact CD2-CG1 4.09Å; W702-V739 VanDerWaalsContact CE2-CG1 3.49Å; W702-V739 HydrophobicContact CE3-CG1 4.45Å; W702-V739 HydrophobicContact CH2-CB 4.25Å; W702-V739 HydrophobicContact CH2-CG1 3.81Å; W702-V739 HydrophobicContact CH2-CG2 3.52Å; W702-V739 HydrophobicContact CZ2-CB 3.95Å; W702-V739 HydrophobicContact CZ2-CG1 3.38Å; W702-V739 HydrophobicContact CZ2-CG2 3.24Å; W702-V739 HydrophobicContact CZ3-CG1 4.31Å; V728-V739 HydrophobicContact CG1-CG1 4.22Å; V739-Y741 PolarHBondContact O-N 3.36Å
740	F	82.3	Confident	79.6	Confident	6 Å²	6	52 Å²	52	3%	0.026	30%	0.295	C	S	.	.	S	Bend	trans	52.9	53.2	176.2	-151	-76.2	0	0	0	111.9	L742 I752 V756 L764 P766	F740-L742 HydrophobicContact CD1-CD2 4.48Å; F740-L742 HydrophobicContact CD1-CG 4.45Å; F740-L742 HydrophobicContact CE1-CD2 4.28Å; F740-I752 HydrophobicContact CD1-CD1 4.4Å; F740-I752 HydrophobicContact CD1-CG2 3.62Å; F740-I752 HydrophobicContact CD2-CG2 4.39Å; F740-I752 HydrophobicContact CE1-CG2 3.66Å; F740-I752 HydrophobicContact CE2-CG2 4.4Å; F740-I752 HydrophobicContact CG-CG2 4.02Å; F740-I752 HydrophobicContact CZ-CG2 4.07Å; F740-V756 HydrophobicContact CE2-CG2 4.27Å; F740-V756 HydrophobicContact CZ-CG2 3.83Å; F740-L764 HydrophobicContact CE1-CD2 4.3Å; F740-L764 HydrophobicContact CE1-CG 4.16Å; F740-L764 HydrophobicContact CZ-CG 4.46Å; F740-P766 HydrophobicContact CD1-CG 4.23Å; F740-P766 HydrophobicContact CD2-CG 3.76Å; F740-P766 HydrophobicContact CE1-CG 4.18Å; F740-P766 HydrophobicContact CE2-CG 3.72Å; F740-P766 HydrophobicContact CG-CG 4.02Å; F740-P766 HydrophobicContact CZ-CG 3.94Å
741	Y	82.3	Confident	79.4	Confident	61 Å²	61	56.5 Å²	56.5	24%	0.239	32%	0.316	C	S	.	.			trans	-72	136.9	-175.5	172.2	-97.2	0	0	0	111.9	Q731 L735 K737 G738 V739 D743 S767	Q731-Y741 PolarHBondContact NE2-O 2.66Å; L735-Y741 HydrophobicContact CD1-CD1 3.74Å; L735-Y741 HydrophobicContact CD1-CE1 4.37Å; K737-Y741 HydrophobicContact CB-CD2 3.99Å; K737-Y741 HydrophobicContact CB-CG 3.99Å; K737-Y741 HydrophobicContact CD-CD1 3.93Å; K737-Y741 HydrophobicContact CD-CD2 3.68Å; K737-Y741 HydrophobicContact CD-CE1 3.73Å; K737-Y741 HydrophobicContact CD-CE2 3.46Å; K737-Y741 VanDerWaalsContact CD-CE2 3.46Å; K737-Y741 HydrophobicContact CD-CG 3.91Å; K737-Y741 HydrophobicContact CG-CD2 4.45Å; K737-Y741 VanDerWaalsContact NZ-CZ 3.28Å; K737-Y741 PolarHBondContact NZ-OH 3.46Å; G738-Y741 WeakPolarHBondContact O-CB 3.48Å; V739-Y741 PolarHBondContact O-N 3.36Å; Y741-D743 WeakPolarHBondContact CE1-OD1 3.36Å; Y741-D743 PolarHBondContact OH-OD1 3.12Å; Y741-S767 PolarHBondContact O-N 3.49Å
742	L	82.9	Confident	79.3	Confident	26 Å²	26	57 Å²	57	14%	0.136	32%	0.319	C	S	.	.			trans	-124.8	136	178	-62	172.6	0	0	0	110	F740 L747 L764 R765 S767	F740-L742 HydrophobicContact CD1-CD2 4.48Å; F740-L742 HydrophobicContact CD1-CG 4.45Å; F740-L742 HydrophobicContact CE1-CD2 4.28Å; L742-L747 HydrophobicContact CD1-CD1 4.04Å; L742-L764 HydrophobicContact CD1-CD1 4.18Å; L742-L764 HydrophobicContact CD2-CD1 4.22Å; L742-R765 VanDerWaalsContact CD2-O 3.23Å; L742-R765 WeakPolarHBondContact CD2-O 3.48Å; L742-S767 WeakPolarHBondContact CA-OG 3.34Å
743	D	72.2	Confident	79.2	Confident	100 Å²	100	57.1 Å²	57.1	54%	0.535	32%	0.32	S	S	.	.	S	Bend	trans	-74.8	-24.7	-179.9	-77.1	-40	0	0	0	113.3	Y741 S767	Y741-D743 WeakPolarHBondContact CE1-OD1 3.36Å; Y741-D743 PolarHBondContact OH-OD1 3.12Å; D743-S767 PolarHBondContact N-OG 3.23Å; D743-S767 WeakPolarHBondContact OD2-CB 3.49Å
744	S	63.1	Low	79.1	Confident	89 Å²	89	61.2 Å²	61.2	62%	0.622	34%	0.339	S	S	*	.	S	Bend	trans	-109.4	108.4	178.4	61	0	0	0	0	110.9
745	H	63.2	Low	79.2	Confident	171 Å²	171	62.3 Å²	62.3	79%	0.792	35%	0.348	S	S	*	.			trans	55.7	133.6	177.7	-63.4	-68.7	0	0	0	117.6	L747	H745-L747 PolarHBondContact O-N 3.33Å
746	S	68.4	Low	79.4	Confident	126 Å²	126	60.9 Å²	60.9	88%	0.881	34%	0.34	S	S	*	.			trans	-78.7	102.1	176.3	55.4	0	0	0	0	110.8
747	L	80.4	Confident	79.6	Confident	71 Å²	71	61.1 Å²	61.1	37%	0.372	34%	0.341	S	S	.	.			trans	-78.5	149.5	172.6	-65.6	176.1	0	0	0	110.8	L742 H745 E751 I752 L764	L742-L747 HydrophobicContact CD1-CD1 4.04Å; H745-L747 PolarHBondContact O-N 3.33Å; L747-E751 HydrophobicContact CB-CB 4.39Å; L747-I752 HydrophobicContact CB-CD1 4.18Å; L747-I752 HydrophobicContact CB-CG1 3.62Å; L747-I752 HydrophobicContact CD1-CG1 4.36Å; L747-L764 HydrophobicContact CD1-CD2 4.45Å
748	S	83.4	Confident	79.9	Confident	43 Å²	43	63 Å²	63	30%	0.301	35%	0.351	S	S	.	.			trans	-71.2	153.7	172.2	70	0	0	0	0	111.1	K750 E751 I752	S748-K750 PolarHBondContact O-N 3.02Å; S748-E751 VanDerWaalsContact CB-OE2 3.29Å; S748-E751 WeakPolarHBondContact CB-OE2 3.25Å; S748-E751 PolarHBondContact N-OE2 3.07Å; S748-E751 PolarHBondContact O-N 3.34Å; S748-E751 VanDerWaalsContact OG-CG 3.31Å; S748-E751 WeakPolarHBondContact OG-CG 3.29Å; S748-E751 PolarHBondContact OG-N 3.28Å; S748-E751 PolarHBondContact OG-OE2 2.97Å; S748-I752 WeakPolarHBondContact O-CG1 3.32Å; S748-I752 PolarHBondContact O-N 2.95Å
749	P	82.8	Confident	79.5	Confident	20 Å²	20	66.1 Å²	66.1	13%	0.13	36%	0.355	C	S	.	.	H	α-helix	trans	-55.1	-30	177.6	-28.4	35.9	0	0	0	114.2	H694 A698 L701 I753	H694-P749 VanDerWaalsContact NE2-CD 3.32Å; H694-P749 WeakPolarHBondContact NE2-CD 3.48Å; A698-P749 HydrophobicContact CB-CB 4.4Å; A698-P749 HydrophobicContact CB-CG 4.41Å; L701-P749 HydrophobicContact CD1-CB 4.34Å; L701-P749 HydrophobicContact CD2-CB 4.3Å; P749-I753 WeakPolarHBondContact O-CB 3.31Å; P749-I753 WeakPolarHBondContact O-CG1 3.38Å; P749-I753 PolarHBondContact O-N 3.07Å; P749-I753 VanDerWaalsContact O-N 3.12Å
750	K	83.8	Confident	78.7	Confident	75 Å²	75	66.1 Å²	66.1	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-70.4	-44.2	177.3	-173.5	166.6	-176.8	163.6	0	111.3	D692 Y697 S748 I753 Q754	D692-K750 IonicContact OD1-NZ 2.69Å; D692-K750 PolarHBondContact OD1-NZ 2.82Å; Y697-K750 HydrophobicContact CD1-CB 4.34Å; Y697-K750 HydrophobicContact CD1-CG 4.22Å; Y697-K750 HydrophobicContact CD2-CB 4.02Å; Y697-K750 HydrophobicContact CD2-CD 4.1Å; Y697-K750 HydrophobicContact CD2-CG 4.03Å; Y697-K750 HydrophobicContact CE1-CG 4.03Å; Y697-K750 HydrophobicContact CE2-CB 4.32Å; Y697-K750 HydrophobicContact CE2-CD 3.61Å; Y697-K750 HydrophobicContact CE2-CG 3.82Å; Y697-K750 HydrophobicContact CG-CB 4.01Å; Y697-K750 HydrophobicContact CG-CG 4.22Å; Y697-K750 WeakPolarHBondContact OH-CE 3.29Å; S748-K750 PolarHBondContact O-N 3.02Å; K750-I753 PolarHBondContact O-N 3.42Å; K750-Q754 WeakPolarHBondContact O-CB 3.21Å; K750-Q754 VanDerWaalsContact O-CG 3.3Å; K750-Q754 WeakPolarHBondContact O-CG 3.44Å; K750-Q754 PolarHBondContact O-N 3.25Å
751	E	84.9	Confident	78.1	Confident	96 Å²	96	72.9 Å²	72.9	45%	0.449	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-41	176.9	-68.6	160.2	149.9	0	0	111.5	L747 S748 Q754 A755	L747-E751 HydrophobicContact CB-CB 4.39Å; S748-E751 VanDerWaalsContact CB-OE2 3.29Å; S748-E751 WeakPolarHBondContact CB-OE2 3.25Å; S748-E751 PolarHBondContact N-OE2 3.07Å; S748-E751 PolarHBondContact O-N 3.34Å; S748-E751 VanDerWaalsContact OG-CG 3.31Å; S748-E751 WeakPolarHBondContact OG-CG 3.29Å; S748-E751 PolarHBondContact OG-N 3.28Å; S748-E751 PolarHBondContact OG-OE2 2.97Å; E751-Q754 PolarHBondContact O-N 3.42Å; E751-A755 VanDerWaalsContact O-CB 3.3Å; E751-A755 WeakPolarHBondContact O-CB 3.5Å; E751-A755 PolarHBondContact O-N 2.89Å
752	I	85.3	Confident	77.8	Confident	11 Å²	11	75.5 Å²	75.5	6%	0.056	43%	0.428	C	S	.	.	H	α-helix	trans	-59.5	-51	176.1	-65.5	170.5	0	0	0	110.3	L701 F740 L747 S748 Q754 A755 V756 L764	L701-I752 HydrophobicContact CD2-CB 4.17Å; L701-I752 HydrophobicContact CD2-CD1 4.4Å; L701-I752 HydrophobicContact CD2-CG2 3.85Å; F740-I752 HydrophobicContact CD1-CD1 4.4Å; F740-I752 HydrophobicContact CD1-CG2 3.62Å; F740-I752 HydrophobicContact CD2-CG2 4.39Å; F740-I752 HydrophobicContact CE1-CG2 3.66Å; F740-I752 HydrophobicContact CE2-CG2 4.4Å; F740-I752 HydrophobicContact CG-CG2 4.02Å; F740-I752 HydrophobicContact CZ-CG2 4.07Å; L747-I752 HydrophobicContact CB-CD1 4.18Å; L747-I752 HydrophobicContact CB-CG1 3.62Å; L747-I752 HydrophobicContact CD1-CG1 4.36Å; S748-I752 WeakPolarHBondContact O-CG1 3.32Å; S748-I752 PolarHBondContact O-N 2.95Å; I752-Q754 VanDerWaalsContact C-N 3.34Å; I752-Q754 PolarHBondContact O-N 2.91Å; I752-A755 PolarHBondContact O-N 3.15Å; I752-V756 HydrophobicContact CG2-CG2 4.35Å; I752-V756 VanDerWaalsContact O-CG2 3.29Å; I752-V756 WeakPolarHBondContact O-CG2 3.34Å; I752-V756 PolarHBondContact O-N 2.96Å; I752-L764 HydrophobicContact CG2-CD2 4.38Å
753	I	85.4	Confident	77.7	Confident	8 Å²	8	76.6 Å²	76.6	4%	0.041	44%	0.436	C	S	.	.	H	α-helix	trans	-63.3	-41.6	-179.3	-68.2	-66.4	0	0	0	111.3	Y697 K700 L701 L708 P749 K750 A755 V756 I757	Y697-I753 HydrophobicContact CD1-CB 4.21Å; Y697-I753 HydrophobicContact CD1-CG1 4.44Å; Y697-I753 HydrophobicContact CD1-CG2 4.19Å; K700-I753 HydrophobicContact CB-CD1 3.88Å; K700-I753 HydrophobicContact CB-CG1 4.35Å; K700-I753 WeakPolarHBondContact O-CD1 3.37Å; L701-I753 HydrophobicContact CD2-CD1 4.21Å; L701-I753 HydrophobicContact CD2-CG1 4.23Å; L708-I753 HydrophobicContact CD1-CD1 3.97Å; L708-I753 HydrophobicContact CD1-CG2 4.43Å; P749-I753 WeakPolarHBondContact O-CB 3.31Å; P749-I753 WeakPolarHBondContact O-CG1 3.38Å; P749-I753 PolarHBondContact O-N 3.07Å; P749-I753 VanDerWaalsContact O-N 3.12Å; K750-I753 PolarHBondContact O-N 3.42Å; I753-A755 VanDerWaalsContact C-N 3.34Å; I753-A755 PolarHBondContact O-N 3.5Å; I753-V756 PolarHBondContact O-N 2.74Å; I753-I757 HydrophobicContact CG2-CD1 3.72Å; I753-I757 HydrophobicContact CG2-CG1 4.4Å; I753-I757 WeakPolarHBondContact O-CB 3.33Å; I753-I757 WeakPolarHBondContact O-CD1 3.3Å; I753-I757 WeakPolarHBondContact O-CG1 3.39Å; I753-I757 PolarHBondContact O-N 2.82Å
754	Q	85.5	Confident	78.3	Confident	91 Å²	91	74 Å²	74	43%	0.425	42%	0.422	S	S	.	.	H	α-helix	trans	-62.8	-40.9	176.1	-75.5	178	-16.3	0	0	112.1	K750 E751 I752 I757 Q758	K750-Q754 WeakPolarHBondContact O-CB 3.21Å; K750-Q754 VanDerWaalsContact O-CG 3.3Å; K750-Q754 WeakPolarHBondContact O-CG 3.44Å; K750-Q754 PolarHBondContact O-N 3.25Å; E751-Q754 PolarHBondContact O-N 3.42Å; I752-Q754 VanDerWaalsContact C-N 3.34Å; I752-Q754 PolarHBondContact O-N 2.91Å; Q754-I757 PolarHBondContact O-N 3.49Å; Q754-Q758 VanDerWaalsContact O-CG 3.3Å; Q754-Q758 WeakPolarHBondContact O-CG 3.33Å; Q754-Q758 PolarHBondContact O-N 3.32Å
755	A	83.3	Confident	79.4	Confident	33 Å²	33	71.7 Å²	71.7	27%	0.273	40%	0.4	S	S	.	.	H	α-helix	trans	-70.5	-29.5	177.1	0	0	0	0	0	113.4	E751 I752 I753 L764	E751-A755 VanDerWaalsContact O-CB 3.3Å; E751-A755 WeakPolarHBondContact O-CB 3.5Å; E751-A755 PolarHBondContact O-N 2.89Å; I752-A755 PolarHBondContact O-N 3.15Å; I753-A755 VanDerWaalsContact C-N 3.34Å; I753-A755 PolarHBondContact O-N 3.5Å; A755-L764 HydrophobicContact CB-CB 4.4Å; A755-L764 HydrophobicContact CB-CD2 3.55Å
756	V	84.8	Confident	80.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.024	36%	0.364	C	S	.	.	H	α-helix	trans	-75.1	-33.6	173	171.5	0	0	0	0	111.5	P705 L708 R709 F740 I752 I753 L764	P705-V756 HydrophobicContact CB-CG1 3.95Å; L708-V756 HydrophobicContact CD1-CG1 4.26Å; R709-V756 PolarHBondContact NH2-O 3.32Å; R709-V756 VanDerWaalsContact NH2-O 3.1Å; F740-V756 HydrophobicContact CE2-CG2 4.27Å; F740-V756 HydrophobicContact CZ-CG2 3.83Å; I752-V756 HydrophobicContact CG2-CG2 4.35Å; I752-V756 VanDerWaalsContact O-CG2 3.29Å; I752-V756 WeakPolarHBondContact O-CG2 3.34Å; I752-V756 PolarHBondContact O-N 2.96Å; I753-V756 PolarHBondContact O-N 2.74Å; V756-L764 HydrophobicContact CG2-CB 4.39Å; V756-L764 HydrophobicContact CG2-CD2 4.36Å
757	I	84.3	Confident	80.9	Confident	67 Å²	67	58.9 Å²	58.9	34%	0.344	33%	0.33	S	S	.	.	H	α-helix	trans	-67.5	-41.2	174.2	-71.2	165.5	0	0	0	110.5	L708 R709 I753 Q754	L708-I757 HydrophobicContact CB-CD1 4.4Å; L708-I757 HydrophobicContact CB-CG1 3.9Å; R709-I757 HydrophobicContact CG-CG2 4.3Å; R709-I757 PolarHBondContact NE-O 2.7Å; I753-I757 HydrophobicContact CG2-CD1 3.72Å; I753-I757 HydrophobicContact CG2-CG1 4.4Å; I753-I757 WeakPolarHBondContact O-CB 3.33Å; I753-I757 WeakPolarHBondContact O-CD1 3.3Å; I753-I757 WeakPolarHBondContact O-CG1 3.39Å; I753-I757 PolarHBondContact O-N 2.82Å; Q754-I757 PolarHBondContact O-N 3.49Å
758	Q	80.9	Confident	80.6	Confident	136 Å²	136	57.6 Å²	57.6	64%	0.636	32%	0.323	S	S	*	.	S	Bend	trans	-69.7	129.5	175.9	-70.6	174.2	8.1	0	0	110.6	Q754 G760	Q754-Q758 VanDerWaalsContact O-CG 3.3Å; Q754-Q758 WeakPolarHBondContact O-CG 3.33Å; Q754-Q758 PolarHBondContact O-N 3.32Å; Q758-G760 PolarHBondContact O-N 3.03Å
759	D	66.4	Low	79.5	Confident	121 Å²	121	58.7 Å²	58.7	65%	0.647	33%	0.33	S	S	*	.			trans	-80.7	68.8	-177.1	-157.8	14.9	0	0	0	110.9
760	G	68.1	Low	78.2	Confident	33 Å²	33	64.5 Å²	64.5	34%	0.34	35%	0.353	S	S	.	.			trans	-73.1	146.5	178.8	0	0	0	0	0	112.1	Q758 P762 P763	Q758-G760 PolarHBondContact O-N 3.03Å; G760-P762 CarbonylContact C-O 3.56Å; G760-P762 CarbonylContact O-C 3.42Å; G760-P763 WeakPolarHBondContact O-CA 3.46Å
761	V	69.5	Low	76.8	Confident	148 Å²	148	69.5 Å²	69.5	90%	0.897	38%	0.377	S	S	*	.	S	Bend	trans	-115	108.1	173.5	-176.2	0	0	0	0	108.8
762	P	74.6	Confident	75.4	Confident	117 Å²	117	67.6 Å²	67.6	76%	0.76	38%	0.375	S	S	*	.	S	Bend	cis	-75.6	154.3	-2.2	32.4	-35	0	0	0	113.1	G760	G760-P762 CarbonylContact C-O 3.56Å; G760-P762 CarbonylContact O-C 3.42Å
763	P	81.6	Confident	74.1	Confident	48 Å²	48	71.3 Å²	71.3	31%	0.312	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-71	144.4	-176.9	29.9	-36.6	0	0	0	110.8	G760 R765	G760-P763 WeakPolarHBondContact O-CA 3.46Å; P763-R765 PolarHBondContact O-N 2.74Å; P763-R765 VanDerWaalsContact O-N 3.16Å
764	L	84.4	Confident	73.2	Confident	46 Å²	46	72.4 Å²	72.4	24%	0.241	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-63.2	122	179.7	-175.4	65.9	0	0	0	109.5	F740 L742 L747 I752 A755 V756	F740-L764 HydrophobicContact CE1-CD2 4.3Å; F740-L764 HydrophobicContact CE1-CG 4.16Å; F740-L764 HydrophobicContact CZ-CG 4.46Å; L742-L764 HydrophobicContact CD1-CD1 4.18Å; L742-L764 HydrophobicContact CD2-CD1 4.22Å; L747-L764 HydrophobicContact CD1-CD2 4.45Å; I752-L764 HydrophobicContact CG2-CD2 4.38Å; A755-L764 HydrophobicContact CB-CB 4.4Å; A755-L764 HydrophobicContact CB-CD2 3.55Å; V756-L764 HydrophobicContact CG2-CB 4.39Å; V756-L764 HydrophobicContact CG2-CD2 4.36Å
765	R	85.6	Confident	72.6	Confident	40 Å²	40	74.4 Å²	74.4	15%	0.151	41%	0.409	C	S	.	.			trans	-136.3	154.9	178.7	-70.9	-60.5	-174	-82.3	-4.2	111.1	L742 P763 W785 E787	L742-R765 VanDerWaalsContact CD2-O 3.23Å; L742-R765 WeakPolarHBondContact CD2-O 3.48Å; P763-R765 PolarHBondContact O-N 2.74Å; P763-R765 VanDerWaalsContact O-N 3.16Å; R765-W785 PolarHBondContact NE-O 3.08Å; R765-W785 PolarHBondContact NH2-O 3.09Å; R765-W785 VanDerWaalsContact NH2-O 3.15Å; R765-E787 IonicContact CZ-OE2 3.31Å; R765-E787 VanDerWaalsContact CZ-OE2 3.31Å; R765-E787 IonicContact NH1-OE2 3.13Å; R765-E787 PolarHBondContact NH1-OE2 3.08Å; R765-E787 VanDerWaalsContact NH1-OE2 3.13Å; R765-E787 VanDerWaalsContact NH2-CA 3.26Å; R765-E787 IonicContact NH2-OE2 2.63Å; R765-E787 PolarHBondContact NH2-OE2 3.39Å
766	P	84.4	Confident	72.2	Confident	5 Å²	5	77.3 Å²	77.3	3%	0.032	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-62.1	148.2	176.8	-16.5	30	0	0	0	111.8	Q731 F740 W785	Q731-P766 HydrophobicContact CG-CB 4.29Å; F740-P766 HydrophobicContact CD1-CG 4.23Å; F740-P766 HydrophobicContact CD2-CG 3.76Å; F740-P766 HydrophobicContact CE1-CG 4.18Å; F740-P766 HydrophobicContact CE2-CG 3.72Å; F740-P766 HydrophobicContact CG-CG 4.02Å; F740-P766 HydrophobicContact CZ-CG 3.94Å; P766-W785 HydrophobicContact CB-CE3 4.44Å; P766-W785 HydrophobicContact CB-CH2 3.83Å; P766-W785 HydrophobicContact CB-CZ3 3.65Å; P766-W785 HydrophobicContact CG-CE3 3.79Å; P766-W785 HydrophobicContact CG-CH2 4.07Å; P766-W785 HydrophobicContact CG-CZ3 3.47Å; P766-W785 VanDerWaalsContact CG-CZ3 3.47Å
767	S	79.5	Confident	71.8	Confident	24 Å²	24	77.5 Å²	77.5	17%	0.168	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-65.9	141.3	-178.9	-78.9	0	0	0	0	112.4	Q731 Y741 L742 D743	Q731-S767 PolarHBondContact NE2-O 3.5Å; Y741-S767 PolarHBondContact O-N 3.49Å; L742-S767 WeakPolarHBondContact CA-OG 3.34Å; D743-S767 PolarHBondContact N-OG 3.23Å; D743-S767 WeakPolarHBondContact OD2-CB 3.49Å
768	L	74.4	Confident	71.7	Confident	44 Å²	44	75.1 Å²	75.1	23%	0.23	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-103.2	125.8	175.4	-67.7	166.4	0	0	0	109.5	F770 M781 Q782 W785	L768-F770 HydrophobicContact CB-CE2 4.42Å; L768-M781 HydrophobicContact CD2-CB 4.31Å; L768-M781 HydrophobicContact CD2-CE 4.14Å; L768-Q782 HydrophobicContact CD1-CG 3.55Å; L768-Q782 HydrophobicContact CD2-CG 4.49Å; L768-W785 HydrophobicContact CD1-CZ2 4.43Å; L768-W785 HydrophobicContact CD2-CH2 3.85Å; L768-W785 HydrophobicContact CD2-CZ2 3.56Å; L768-W785 HydrophobicContact CG-CH2 4.43Å; L768-W785 HydrophobicContact CG-CZ2 3.97Å
769	C	60.4	Low	71.9	Confident	66 Å²	66	71.2 Å²	71.2	45%	0.446	40%	0.395	S	S	.	.			trans	-97.9	103.3	170.7	-159.9	0	0	0	0	109.6	L735 H771 S772	L735-C769 HydrophobicContact CD2-CB 3.53Å; C769-H771 PolarHBondContact O-N 2.79Å; C769-H771 VanDerWaalsContact O-N 3.12Å; C769-S772 WeakPolarHBondContact CB-OG 3.47Å; C769-S772 PolarHBondContact SG-OG 2.83Å
770	F	56	Low	72.8	Confident	141 Å²	141	66 Å²	66	62%	0.618	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-9.9	178.2	-75.1	-85.2	0	0	0	113.8	L768	L768-F770 HydrophobicContact CB-CE2 4.42Å
771	H	53.9	Low	73.7	Confident	180 Å²	180	64.9 Å²	64.9	83%	0.833	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.7	-173.3	-75.7	44.7	0	0	0	114.5	C769	C769-H771 PolarHBondContact O-N 2.79Å; C769-H771 VanDerWaalsContact O-N 3.12Å
772	S	55.1	Low	74.6	Confident	57 Å²	57	61.9 Å²	61.9	40%	0.399	33%	0.33	S	S	.	.	S	Bend	trans	-89.3	-28.8	-162.3	-51.7	0	0	0	0	116	C769	C769-S772 WeakPolarHBondContact CB-OG 3.47Å; C769-S772 PolarHBondContact SG-OG 2.83Å
773	H	58.6	Low	75.2	Confident	88 Å²	88	62.8 Å²	62.8	41%	0.407	32%	0.318	S	S	.	.	S	Bend	trans	-173.1	-39.8	169.8	-156.5	-75.6	0	0	0	117.1	W633	W633-H773 AromaticContact CD1-CD2 3.1Å; W633-H773 AromaticContact CD1-CE1 3.2Å; W633-H773 AromaticContact CD1-CG 3.23Å; W633-H773 AromaticContact CD1-ND1 3.31Å; W633-H773 VanDerWaalsContact CD1-ND1 3.31Å; W633-H773 AromaticContact CD1-NE2 3.08Å; W633-H773 HydrophobicContact CD2-CB 4.02Å; W633-H773 AromaticContact CD2-CD2 3.81Å; W633-H773 AromaticContact CD2-CG 3.92Å; W633-H773 VanDerWaalsContact CE2-CB 3.49Å; W633-H773 AromaticContact CE2-CD2 3.97Å; W633-H773 AromaticContact CE2-CG 3.58Å; W633-H773 HydrophobicContact CG-CB 4.33Å; W633-H773 AromaticContact CG-CD2 3.24Å; W633-H773 AromaticContact CG-CG 3.69Å; W633-H773 AromaticContact CG-NE2 3.52Å; W633-H773 HydrophobicContact CZ2-CB 3.75Å; W633-H773 AromaticContact NE1-CD2 3.5Å; W633-H773 AromaticContact NE1-CE1 3.61Å; W633-H773 AromaticContact NE1-CG 3.09Å; W633-H773 AromaticContact NE1-ND1 3.19Å; W633-H773 PolarHBondContact NE1-ND1 3.45Å; W633-H773 VanDerWaalsContact NE1-ND1 3.19Å; W633-H773 AromaticContact NE1-NE2 3.8Å
774	S	66.8	Low	75.6	Confident	31 Å²	31	60.5 Å²	60.5	22%	0.217	30%	0.303	C	S	.	.			trans	-155.7	130.5	-176.1	155.5	0	0	0	0	110.7	E776 L777	S774-E776 VanDerWaalsContact C-N 3.27Å; S774-E776 PolarHBondContact O-N 3.11Å; S774-E776 PolarHBondContact OG-N 3.24Å; S774-E776 PolarHBondContact OG-OE2 2.96Å; S774-L777 PolarHBondContact O-N 2.98Å; S774-L777 PolarHBondContact OG-N 3.04Å
775	E	71.9	Confident	75.9	Confident	133 Å²	133	58.8 Å²	58.8	62%	0.621	29%	0.294	S	S	*	.	H	α-helix	trans	-65.5	-34.2	179.1	-171.4	175.9	173.6	0	0	111	L777 G778 V779	E775-L777 PolarHBondContact O-N 3.33Å; E775-G778 WeakPolarHBondContact O-CA 3.42Å; E775-G778 PolarHBondContact O-N 3.33Å; E775-G778 VanDerWaalsContact O-N 3.17Å; E775-V779 WeakPolarHBondContact O-CG2 3.43Å; E775-V779 PolarHBondContact O-N 3.42Å
776	E	74.1	Confident	76	Confident	94 Å²	94	58 Å²	58	44%	0.439	29%	0.294	S	S	.	.	H	α-helix	trans	-71.2	-31.3	-177.8	-56.4	84.4	176	0	0	113.2	S774 G778 V779 L780 Q805	S774-E776 VanDerWaalsContact C-N 3.27Å; S774-E776 PolarHBondContact O-N 3.11Å; S774-E776 PolarHBondContact OG-N 3.24Å; S774-E776 PolarHBondContact OG-OE2 2.96Å; E776-G778 VanDerWaalsContact C-N 3.33Å; E776-V779 PolarHBondContact O-N 3.16Å; E776-L780 PolarHBondContact O-N 2.98Å; E776-Q805 HydrophobicContact CB-CG 4.32Å
777	L	78.2	Confident	76.1	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.042	30%	0.3	C	S	.	.	H	α-helix	trans	-67.9	-37.5	171	-168.9	68.7	0	0	0	110.9	W633 Y637 L730 S774 E775 V779 L780 M781 L802	W633-L777 HydrophobicContact CH2-CD2 3.86Å; W633-L777 HydrophobicContact CZ2-CD2 3.4Å; W633-L777 VanDerWaalsContact CZ2-CD2 3.4Å; Y637-L777 HydrophobicContact CE1-CD1 4.37Å; Y637-L777 HydrophobicContact CE1-CD2 4.48Å; L730-L777 HydrophobicContact CD1-CD1 4.23Å; L730-L777 HydrophobicContact CD1-CD2 4.5Å; L730-L777 HydrophobicContact CD2-CD1 4.04Å; S774-L777 PolarHBondContact O-N 2.98Å; S774-L777 PolarHBondContact OG-N 3.04Å; E775-L777 PolarHBondContact O-N 3.33Å; L777-V779 VanDerWaalsContact C-N 3.34Å; L777-V779 PolarHBondContact O-N 2.97Å; L777-L780 HydrophobicContact CD1-CD2 4.21Å; L777-L780 WeakPolarHBondContact O-CB 3.5Å; L777-L780 PolarHBondContact O-N 3.11Å; L777-M781 VanDerWaalsContact O-CG 3.29Å; L777-M781 WeakPolarHBondContact O-CG 3.47Å; L777-M781 PolarHBondContact O-N 3.5Å; L777-L802 HydrophobicContact CD1-CD2 4Å
778	G	80.9	Confident	76.5	Confident	17 Å²	17	63.4 Å²	63.4	18%	0.175	32%	0.316	C	S	.	.	H	α-helix	trans	-61	-41.7	172.4	0	0	0	0	0	112.4	E775 E776 M781 Q782	E775-G778 WeakPolarHBondContact O-CA 3.42Å; E775-G778 PolarHBondContact O-N 3.33Å; E775-G778 VanDerWaalsContact O-N 3.17Å; E776-G778 VanDerWaalsContact C-N 3.33Å; G778-M781 WeakPolarHBondContact O-CB 3.42Å; G778-M781 PolarHBondContact O-N 2.84Å; G778-Q782 WeakPolarHBondContact O-CG 3.36Å; G778-Q782 PolarHBondContact O-N 3.01Å
779	V	84.7	Confident	77.2	Confident	54 Å²	54	62.9 Å²	62.9	33%	0.327	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-39.3	173.7	175.6	0	0	0	0	111.6	E775 E776 L777 Q782 R783	E775-V779 WeakPolarHBondContact O-CG2 3.43Å; E775-V779 PolarHBondContact O-N 3.42Å; E776-V779 PolarHBondContact O-N 3.16Å; L777-V779 VanDerWaalsContact C-N 3.34Å; L777-V779 PolarHBondContact O-N 2.97Å; V779-Q782 PolarHBondContact O-N 3.36Å; V779-R783 WeakPolarHBondContact O-CG 3.27Å; V779-R783 PolarHBondContact O-N 3.47Å
780	L	86.6	Confident	78.6	Confident	11 Å²	11	66.4 Å²	66.4	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-44.8	175.2	-178.8	62.4	0	0	0	111.5	L730 E776 L777 Q782 R783 C784 P793 I798 L801 L802	L730-L780 HydrophobicContact CD2-CD2 4.47Å; E776-L780 PolarHBondContact O-N 2.98Å; L777-L780 HydrophobicContact CD1-CD2 4.21Å; L777-L780 WeakPolarHBondContact O-CB 3.5Å; L777-L780 PolarHBondContact O-N 3.11Å; L780-Q782 VanDerWaalsContact C-N 3.32Å; L780-Q782 PolarHBondContact O-N 2.91Å; L780-R783 PolarHBondContact O-N 3.13Å; L780-C784 PolarHBondContact O-N 3.37Å; L780-C784 PolarHBondContact O-SG 2.98Å; L780-P793 HydrophobicContact CD1-CG 4.47Å; L780-I798 HydrophobicContact CD1-CG1 4.32Å; L780-I798 HydrophobicContact CD2-CG2 4.31Å; L780-L801 HydrophobicContact CD1-CD1 3.91Å; L780-L802 HydrophobicContact CD2-CD2 3.72Å; L780-L802 HydrophobicContact CD2-CG 4.01Å
781	M	87.6	Confident	80.2	Confident	11 Å²	11	66 Å²	66	5%	0.054	33%	0.33	C	S	.	.	H	α-helix	trans	-57	-46.1	174.6	-70	170.1	65.8	0	0	111.3	L730 Q731 L768 L777 G778 R783 C784 W785	L730-M781 HydrophobicContact CB-CG 4.13Å; L730-M781 HydrophobicContact CD2-CB 4.49Å; L730-M781 HydrophobicContact CD2-CG 3.37Å; L730-M781 HydrophobicContact CD2-SD 4.48Å; L730-M781 HydrophobicContact CG-CG 3.58Å; L730-M781 HydrophobicContact CG-SD 4.14Å; Q731-M781 HydrophobicContact CB-CE 3.46Å; Q731-M781 VanDerWaalsContact CB-CE 3.46Å; Q731-M781 HydrophobicContact CG-CE 3.77Å; L768-M781 HydrophobicContact CD2-CB 4.31Å; L768-M781 HydrophobicContact CD2-CE 4.14Å; L777-M781 VanDerWaalsContact O-CG 3.29Å; L777-M781 WeakPolarHBondContact O-CG 3.47Å; L777-M781 PolarHBondContact O-N 3.5Å; G778-M781 WeakPolarHBondContact O-CB 3.42Å; G778-M781 PolarHBondContact O-N 2.84Å; M781-R783 VanDerWaalsContact C-N 3.34Å; M781-R783 PolarHBondContact O-N 3.14Å; M781-C784 PolarHBondContact O-N 3.36Å; M781-W785 HydrophobicContact CB-CH2 4.4Å; M781-W785 HydrophobicContact CB-CZ2 4.38Å; M781-W785 HydrophobicContact CE-CH2 3.83Å; M781-W785 HydrophobicContact CE-CZ3 4.14Å; M781-W785 PolarHBondContact O-N 2.9Å
782	Q	87.1	Confident	82	Confident	84 Å²	84	57.6 Å²	57.6	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-57.1	-43.6	176.2	-76.2	178.5	-6.9	0	0	113.5	L768 G778 V779 L780 W785 S786	L768-Q782 HydrophobicContact CD1-CG 3.55Å; L768-Q782 HydrophobicContact CD2-CG 4.49Å; G778-Q782 WeakPolarHBondContact O-CG 3.36Å; G778-Q782 PolarHBondContact O-N 3.01Å; V779-Q782 PolarHBondContact O-N 3.36Å; L780-Q782 VanDerWaalsContact C-N 3.32Å; L780-Q782 PolarHBondContact O-N 2.91Å; Q782-W785 VanDerWaalsContact CA-NE1 3.35Å; Q782-S786 PolarHBondContact O-N 3.37Å
783	R	88.4	Confident	83.8	Confident	137 Å²	137	55.7 Å²	55.7	52%	0.517	28%	0.277	S	S	.	.	H	α-helix	trans	-69.2	-37.4	177.8	-69.4	177.6	-176.8	-166.7	1	112.3	V779 L780 M781 W785 S786 R792 P793	V779-R783 WeakPolarHBondContact O-CG 3.27Å; V779-R783 PolarHBondContact O-N 3.47Å; L780-R783 PolarHBondContact O-N 3.13Å; M781-R783 VanDerWaalsContact C-N 3.34Å; M781-R783 PolarHBondContact O-N 3.14Å; R783-W785 VanDerWaalsContact C-N 3.32Å; R783-W785 PolarHBondContact O-N 2.93Å; R783-S786 PolarHBondContact O-N 3.46Å; R783-R792 WeakPolarHBondContact O-CA 3.45Å; R783-P793 HydrophobicContact CB-CG 4.46Å
784	C	89.9	Confident	85.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.1	-33.7	-179.6	-71.9	0	0	0	0	112.9	V723 Y724 L780 M781 R792	V723-C784 HydrophobicContact CG1-CB 4.14Å; Y724-C784 WeakPolarHBondContact CA-O 3.2Å; L780-C784 PolarHBondContact O-N 3.37Å; L780-C784 PolarHBondContact O-SG 2.98Å; M781-C784 PolarHBondContact O-N 3.36Å; C784-R792 VanDerWaalsContact O-CD 3.3Å; C784-R792 WeakPolarHBondContact O-CD 3.48Å
785	W	89.3	Confident	86.6	Confident	10 Å²	10	52.7 Å²	52.7	4%	0.038	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	25.3	178.2	62.2	34	0	0	0	114.4	Y724 Q731 R765 P766 L768 M781 Q782 R783	Y724-W785 HydrophobicContact CD2-CB 3.83Å; Y724-W785 HydrophobicContact CE2-CB 3.77Å; Q731-W785 HydrophobicContact CB-CZ3 4.07Å; Q731-W785 HydrophobicContact CG-CH2 4.47Å; Q731-W785 HydrophobicContact CG-CZ3 4.42Å; R765-W785 PolarHBondContact NE-O 3.08Å; R765-W785 PolarHBondContact NH2-O 3.09Å; R765-W785 VanDerWaalsContact NH2-O 3.15Å; P766-W785 HydrophobicContact CB-CE3 4.44Å; P766-W785 HydrophobicContact CB-CH2 3.83Å; P766-W785 HydrophobicContact CB-CZ3 3.65Å; P766-W785 HydrophobicContact CG-CE3 3.79Å; P766-W785 HydrophobicContact CG-CH2 4.07Å; P766-W785 HydrophobicContact CG-CZ3 3.47Å; P766-W785 VanDerWaalsContact CG-CZ3 3.47Å; L768-W785 HydrophobicContact CD1-CZ2 4.43Å; L768-W785 HydrophobicContact CD2-CH2 3.85Å; L768-W785 HydrophobicContact CD2-CZ2 3.56Å; L768-W785 HydrophobicContact CG-CH2 4.43Å; L768-W785 HydrophobicContact CG-CZ2 3.97Å; M781-W785 HydrophobicContact CB-CH2 4.4Å; M781-W785 HydrophobicContact CB-CZ2 4.38Å; M781-W785 HydrophobicContact CE-CH2 3.83Å; M781-W785 HydrophobicContact CE-CZ3 4.14Å; M781-W785 PolarHBondContact O-N 2.9Å; Q782-W785 VanDerWaalsContact CA-NE1 3.35Å; R783-W785 VanDerWaalsContact C-N 3.32Å; R783-W785 PolarHBondContact O-N 2.93Å
786	S	89.2	Confident	87.4	Confident	22 Å²	22	49.6 Å²	49.6	15%	0.154	25%	0.249	C	C	.	.			trans	-55	144.8	174.3	-172.1	0	0	0	0	110.9	Q782 R783 E788 E791 R792	Q782-S786 PolarHBondContact O-N 3.37Å; R783-S786 PolarHBondContact O-N 3.46Å; S786-E788 VanDerWaalsContact C-N 3.29Å; S786-E788 PolarHBondContact O-N 3.24Å; S786-E791 PolarHBondContact OG-OE2 3.4Å; S786-R792 PolarHBondContact O-NE 3.11Å; S786-R792 PolarHBondContact O-NH2 3.34Å
787	E	86.4	Confident	88.1	Confident	34 Å²	34	48.1 Å²	48.1	16%	0.159	25%	0.247	C	C	.	.	S	Bend	trans	-58.9	-44.5	176.5	-169.6	62.3	-140.2	0	0	110.2	R709 R765 P789 R792	R709-E787 IonicContact CZ-OE1 3.77Å; R709-E787 IonicContact NH1-OE1 2.91Å; R709-E787 PolarHBondContact NH1-OE1 2.77Å; R709-E787 IonicContact NH2-OE1 3.76Å; R709-E787 PolarHBondContact NH2-OE1 2.82Å; R765-E787 IonicContact CZ-OE2 3.31Å; R765-E787 VanDerWaalsContact CZ-OE2 3.31Å; R765-E787 IonicContact NH1-OE2 3.13Å; R765-E787 PolarHBondContact NH1-OE2 3.08Å; R765-E787 VanDerWaalsContact NH1-OE2 3.13Å; R765-E787 VanDerWaalsContact NH2-CA 3.26Å; R765-E787 IonicContact NH2-OE2 2.63Å; R765-E787 PolarHBondContact NH2-OE2 3.39Å; E787-P789 WeakPolarHBondContact O-CD 3.47Å; E787-R792 PolarHBondContact O-NH2 3.49Å
788	E	88	Confident	88.7	Confident	109 Å²	109	47.7 Å²	47.7	51%	0.509	25%	0.245	S	C	.	.	S	Bend	trans	-79.5	120.6	177.6	-70.2	-58.8	144.4	0	0	112	S786 N790 E791	S786-E788 VanDerWaalsContact C-N 3.29Å; S786-E788 PolarHBondContact O-N 3.24Å; E788-N790 PolarHBondContact O-N 3.47Å; E788-N790 VanDerWaalsContact O-N 3.16Å; E788-E791 HydrophobicContact CB-CB 4.46Å; E788-E791 HydrophobicContact CB-CG 3.92Å; E788-E791 PolarHBondContact O-N 3.01Å
789	P	89.2	Confident	89	Confident	34 Å²	34	50.2 Å²	50.2	22%	0.221	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27.8	-178.1	-25.7	35	0	0	0	114.4	E706 R720 E787	E706-P789 HydrophobicContact CB-CG 4.29Å; E706-P789 HydrophobicContact CG-CG 3.91Å; R720-P789 HydrophobicContact CB-CB 4.03Å; R720-P789 VanDerWaalsContact CD-O 3.28Å; R720-P789 WeakPolarHBondContact CD-O 3.5Å; R720-P789 HydrophobicContact CG-CB 4.35Å; R720-P789 WeakPolarHBondContact CG-O 3.41Å; E787-P789 WeakPolarHBondContact O-CD 3.47Å
790	N	88.9	Confident	89	Confident	139 Å²	139	52.2 Å²	52.2	74%	0.743	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-23.4	-177.7	-68.2	-27.4	0	0	0	113.2	E788 R792	E788-N790 PolarHBondContact O-N 3.47Å; E788-N790 VanDerWaalsContact O-N 3.16Å; N790-R792 VanDerWaalsContact C-N 3.3Å
791	E	88.4	Confident	88.8	Confident	133 Å²	133	54 Å²	54	62%	0.621	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.9	177.8	-64.2	-171.7	158.8	0	0	112.6	S786 E788	S786-E791 PolarHBondContact OG-OE2 3.4Å; E788-E791 HydrophobicContact CB-CB 4.46Å; E788-E791 HydrophobicContact CB-CG 3.92Å; E788-E791 PolarHBondContact O-N 3.01Å
792	R	92.4	Very high	88.4	Confident	3 Å²	3	53.9 Å²	53.9	1%	0.011	27%	0.268	C	S	.	.	S	Bend	trans	-71.4	130.3	179.5	-57.8	179.8	-167.6	152.7	9.5	109.8	E706 R720 V723 R783 C784 S786 E787 N790	E706-R792 IonicContact OE1-CZ 3.46Å; E706-R792 IonicContact OE1-NH1 3.27Å; E706-R792 PolarHBondContact OE1-NH1 3.14Å; E706-R792 IonicContact OE1-NH2 2.76Å; E706-R792 IonicContact OE2-CZ 3.15Å; E706-R792 IonicContact OE2-NH1 2.69Å; E706-R792 PolarHBondContact OE2-NH1 2.61Å; E706-R792 IonicContact OE2-NH2 2.7Å; E706-R792 PolarHBondContact OE2-NH2 2.58Å; R720-R792 PolarHBondContact NH1-O 3.39Å; R720-R792 PolarHBondContact O-NH1 2.9Å; V723-R792 HydrophobicContact CG1-CB 3.95Å; R783-R792 WeakPolarHBondContact O-CA 3.45Å; C784-R792 VanDerWaalsContact O-CD 3.3Å; C784-R792 WeakPolarHBondContact O-CD 3.48Å; S786-R792 PolarHBondContact O-NE 3.11Å; S786-R792 PolarHBondContact O-NH2 3.34Å; E787-R792 PolarHBondContact O-NH2 3.49Å; N790-R792 VanDerWaalsContact C-N 3.3Å
793	P	92.7	Very high	87.8	Confident	18 Å²	18	57.8 Å²	57.8	12%	0.117	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-67.1	156.2	178.8	28.2	-34.2	0	0	0	111.6	V723 L780 R783 T797 I798	V723-P793 WeakPolarHBondContact CG1-O 3.34Å; V723-P793 WeakPolarHBondContact CG2-O 3.38Å; L780-P793 HydrophobicContact CD1-CG 4.47Å; R783-P793 HydrophobicContact CB-CG 4.46Å; P793-T797 HydrophobicContact CB-CG2 4.25Å; P793-I798 HydrophobicContact CB-CG1 3.95Å; P793-I798 HydrophobicContact CG-CD1 4.06Å; P793-I798 HydrophobicContact CG-CG1 3.71Å
794	D	91.8	Very high	87	Confident	54 Å²	54	57.9 Å²	57.9	29%	0.289	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-82.5	161.7	169.7	70.4	-16.6	0	0	0	111.1	N796 T797 I798	D794-N796 PolarHBondContact O-N 3.06Å; D794-T797 PolarHBondContact O-N 3.34Å; D794-T797 VanDerWaalsContact O-N 3.07Å; D794-T797 WeakPolarHBondContact OD1-CA 3.41Å; D794-T797 WeakPolarHBondContact OD1-CB 3.29Å; D794-T797 PolarHBondContact OD1-N 2.68Å; D794-T797 PolarHBondContact OD1-OG1 3.23Å; D794-I798 VanDerWaalsContact O-CG1 3.3Å; D794-I798 WeakPolarHBondContact O-CG1 3.22Å; D794-I798 PolarHBondContact O-N 3.3Å
795	F	92.1	Very high	85.8	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-26.2	-178	-80	-80.5	0	0	0	113.5	V644 M647 A648 H651 D722 V723 F726 I798 K799	V644-F795 HydrophobicContact CG1-CD1 4.38Å; V644-F795 HydrophobicContact CG2-CD1 4.31Å; M647-F795 HydrophobicContact CB-CD1 3.63Å; M647-F795 HydrophobicContact CB-CD2 3.84Å; M647-F795 HydrophobicContact CB-CE1 3.52Å; M647-F795 HydrophobicContact CB-CE2 3.74Å; M647-F795 HydrophobicContact CB-CG 3.78Å; M647-F795 HydrophobicContact CB-CZ 3.58Å; M647-F795 HydrophobicContact CE-CE2 3.87Å; M647-F795 HydrophobicContact CE-CZ 4.13Å; M647-F795 HydrophobicContact CG-CD1 4.47Å; M647-F795 HydrophobicContact CG-CE1 3.88Å; M647-F795 HydrophobicContact CG-CE2 4.2Å; M647-F795 HydrophobicContact CG-CZ 3.72Å; A648-F795 HydrophobicContact CB-CB 4Å; H651-F795 AromaticContact CE1-CD2 3.37Å; H651-F795 WeakPolarHBondContact CE1-CD2 3.41Å; H651-F795 AromaticContact CE1-CE2 3.42Å; H651-F795 VanDerWaalsContact CE1-CE2 3.42Å; H651-F795 WeakPolarHBondContact CE1-CE2 3.4Å; H651-F795 AromaticContact ND1-CD2 3.45Å; H651-F795 WeakPolarHBondContact ND1-CD2 3.24Å; H651-F795 AromaticContact ND1-CE2 4Å; H651-F795 AromaticContact NE2-CE2 3.99Å; D722-F795 HydrophobicContact CB-CE2 4.21Å; V723-F795 HydrophobicContact CG2-CD2 4.01Å; V723-F795 HydrophobicContact CG2-CE2 3.71Å; V723-F795 HydrophobicContact CG2-CZ 4.35Å; F726-F795 HydrophobicContact CB-CE1 4.02Å; F726-F795 HydrophobicContact CB-CZ 3.86Å; F726-F795 HydrophobicContact CD1-CE1 4.14Å; F726-F795 HydrophobicContact CD2-CE1 4.09Å; F726-F795 AromaticContact CG-CE1 3.81Å; F726-F795 HydrophobicContact CG-CE1 3.81Å; F726-F795 HydrophobicContact CG-CZ 4.18Å; F795-I798 HydrophobicContact CD1-CD1 4.22Å; F795-K799 WeakPolarHBondContact O-CB 3.47Å; F795-K799 PolarHBondContact O-N 3.47Å
796	N	89.4	Confident	84.3	Confident	67 Å²	67	63.5 Å²	63.5	36%	0.358	31%	0.309	S	S	.	.	H	α-helix	trans	-67.9	-43.4	173.2	-65.8	-42.1	0	0	0	111.7	D794 K799 I800	D794-N796 PolarHBondContact O-N 3.06Å; N796-K799 WeakPolarHBondContact O-CB 3.45Å; N796-K799 PolarHBondContact O-N 2.94Å; N796-I800 WeakPolarHBondContact O-CG1 3.45Å; N796-I800 PolarHBondContact O-N 3.08Å
797	T	89.8	Confident	82.9	Confident	63 Å²	63	72.4 Å²	72.4	39%	0.387	34%	0.34	S	S	.	.	H	α-helix	trans	-67.1	-41.6	174.4	-60.3	0	0	0	0	111.2	P793 D794 K799 I800 L801	P793-T797 HydrophobicContact CB-CG2 4.25Å; D794-T797 PolarHBondContact O-N 3.34Å; D794-T797 VanDerWaalsContact O-N 3.07Å; D794-T797 WeakPolarHBondContact OD1-CA 3.41Å; D794-T797 WeakPolarHBondContact OD1-CB 3.29Å; D794-T797 PolarHBondContact OD1-N 2.68Å; D794-T797 PolarHBondContact OD1-OG1 3.23Å; T797-K799 VanDerWaalsContact C-N 3.31Å; T797-K799 PolarHBondContact O-N 3.28Å; T797-I800 PolarHBondContact O-N 2.97Å; T797-I800 VanDerWaalsContact O-N 3.14Å; T797-L801 HydrophobicContact CG2-CD1 4.06Å; T797-L801 HydrophobicContact CG2-CG 4.33Å; T797-L801 WeakPolarHBondContact O-CG 3.47Å; T797-L801 PolarHBondContact O-N 3.01Å
798	I	89.6	Confident	81.4	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-57.6	-44.8	175.2	-64.8	169.7	0	0	0	110.5	V644 V723 F726 L780 P793 D794 F795 I800 L801 L802	V644-I798 HydrophobicContact CG1-CG2 4.24Å; V644-I798 HydrophobicContact CG2-CG2 3.79Å; V723-I798 HydrophobicContact CG1-CD1 4.09Å; F726-I798 HydrophobicContact CD1-CD1 4.26Å; F726-I798 HydrophobicContact CE1-CD1 4.34Å; F726-I798 HydrophobicContact CE1-CG2 3.9Å; F726-I798 HydrophobicContact CZ-CG2 4.37Å; L780-I798 HydrophobicContact CD1-CG1 4.32Å; L780-I798 HydrophobicContact CD2-CG2 4.31Å; P793-I798 HydrophobicContact CB-CG1 3.95Å; P793-I798 HydrophobicContact CG-CD1 4.06Å; P793-I798 HydrophobicContact CG-CG1 3.71Å; D794-I798 VanDerWaalsContact O-CG1 3.3Å; D794-I798 WeakPolarHBondContact O-CG1 3.22Å; D794-I798 PolarHBondContact O-N 3.3Å; F795-I798 HydrophobicContact CD1-CD1 4.22Å; I798-I800 VanDerWaalsContact C-N 3.3Å; I798-I800 PolarHBondContact O-N 3.28Å; I798-L801 PolarHBondContact O-N 3.35Å; I798-L802 HydrophobicContact CG2-CD1 3.93Å; I798-L802 HydrophobicContact CG2-CG 4.35Å; I798-L802 WeakPolarHBondContact O-CG 3.41Å; I798-L802 PolarHBondContact O-N 3.19Å
799	K	86.5	Confident	79.7	Confident	70 Å²	70	77.4 Å²	77.4	30%	0.304	38%	0.376	S	S	.	.	H	α-helix	trans	-57.2	-41.1	176	-174.8	178.4	-179.6	176.5	0	112.5	V644 F795 N796 T797 R803	V644-K799 HydrophobicContact CG1-CB 3.75Å; V644-K799 HydrophobicContact CG1-CG 4.42Å; F795-K799 WeakPolarHBondContact O-CB 3.47Å; F795-K799 PolarHBondContact O-N 3.47Å; N796-K799 WeakPolarHBondContact O-CB 3.45Å; N796-K799 PolarHBondContact O-N 2.94Å; T797-K799 VanDerWaalsContact C-N 3.31Å; T797-K799 PolarHBondContact O-N 3.28Å; K799-R803 WeakPolarHBondContact O-CG 3.28Å; K799-R803 PolarHBondContact O-N 2.95Å
800	I	85.3	Confident	77.8	Confident	95 Å²	95	78.2 Å²	78.2	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-69.7	-42.7	177.9	-65.2	166.5	0	0	0	110.8	N796 T797 I798 R803 K804	N796-I800 WeakPolarHBondContact O-CG1 3.45Å; N796-I800 PolarHBondContact O-N 3.08Å; T797-I800 PolarHBondContact O-N 2.97Å; T797-I800 VanDerWaalsContact O-N 3.14Å; I798-I800 VanDerWaalsContact C-N 3.3Å; I798-I800 PolarHBondContact O-N 3.28Å; I800-R803 PolarHBondContact O-N 3.15Å; I800-K804 PolarHBondContact O-N 3.5Å; I800-K804 VanDerWaalsContact O-N 3.11Å
801	L	83	Confident	76	Confident	50 Å²	50	73.6 Å²	73.6	26%	0.262	37%	0.368	S	S	.	.	H	α-helix	trans	-63.2	-45	179	-69.9	174	0	0	0	111.4	L780 T797 I798 R803 K804 Q805	L780-L801 HydrophobicContact CD1-CD1 3.91Å; T797-L801 HydrophobicContact CG2-CD1 4.06Å; T797-L801 HydrophobicContact CG2-CG 4.33Å; T797-L801 WeakPolarHBondContact O-CG 3.47Å; T797-L801 PolarHBondContact O-N 3.01Å; I798-L801 PolarHBondContact O-N 3.35Å; L801-R803 PolarHBondContact O-N 2.81Å; L801-K804 PolarHBondContact O-N 3.09Å; L801-Q805 WeakPolarHBondContact O-CG 3.33Å; L801-Q805 PolarHBondContact O-N 3.4Å
802	L	79.4	Confident	74.5	Confident	8 Å²	8	73 Å²	73	4%	0.042	37%	0.37	C	S	.	.	H	α-helix	trans	-63.3	-40	176.6	-71.9	172.9	0	0	0	112.5	Y637 I640 V644 L777 L780 I798 K804 Q805 H806	Y637-L802 HydrophobicContact CE1-CD2 4.43Å; I640-L802 HydrophobicContact CG2-CD1 3.85Å; I640-L802 HydrophobicContact CG2-CD2 4.39Å; V644-L802 HydrophobicContact CB-CD1 4.48Å; V644-L802 HydrophobicContact CG2-CD1 3.78Å; L777-L802 HydrophobicContact CD1-CD2 4Å; L780-L802 HydrophobicContact CD2-CD2 3.72Å; L780-L802 HydrophobicContact CD2-CG 4.01Å; I798-L802 HydrophobicContact CG2-CD1 3.93Å; I798-L802 HydrophobicContact CG2-CG 4.35Å; I798-L802 WeakPolarHBondContact O-CG 3.41Å; I798-L802 PolarHBondContact O-N 3.19Å; L802-K804 VanDerWaalsContact C-N 3.33Å; L802-K804 PolarHBondContact O-N 3.39Å; L802-Q805 PolarHBondContact O-N 3.43Å; L802-H806 PolarHBondContact O-N 2.66Å; L802-H806 VanDerWaalsContact O-N 3.11Å
803	R	73.8	Confident	72.5	Confident	166 Å²	166	78.8 Å²	78.8	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-63.6	-34.7	175.5	-80.5	179.8	172.1	-172.9	-5.3	113.5	K799 I800 L801	K799-R803 WeakPolarHBondContact O-CG 3.28Å; K799-R803 PolarHBondContact O-N 2.95Å; I800-R803 PolarHBondContact O-N 3.15Å; L801-R803 PolarHBondContact O-N 2.81Å
804	K	72.7	Confident	70.5	Confident	139 Å²	139	79.7 Å²	79.7	60%	0.604	40%	0.403	S	S	*	.	H	α-helix	trans	-68.8	-37.9	176.6	-75.5	-179.7	177.7	-177.6	0	111.7	I800 L801 L802	I800-K804 PolarHBondContact O-N 3.5Å; I800-K804 VanDerWaalsContact O-N 3.11Å; L801-K804 PolarHBondContact O-N 3.09Å; L802-K804 VanDerWaalsContact C-N 3.33Å; L802-K804 PolarHBondContact O-N 3.39Å
805	Q	63.4	Low	68.8	Low	75 Å²	75	81.9 Å²	81.9	35%	0.35	42%	0.415	S	S	.	.	H	α-helix	trans	-68.8	-33.7	177.5	-64.7	-58.5	-32.8	0	0	112.6	E776 L801 L802 R807	E776-Q805 HydrophobicContact CB-CG 4.32Å; L801-Q805 WeakPolarHBondContact O-CG 3.33Å; L801-Q805 PolarHBondContact O-N 3.4Å; L802-Q805 PolarHBondContact O-N 3.43Å; Q805-R807 PolarHBondContact O-N 2.92Å
806	H	59.2	Low	67	Low	52 Å²	52	85.8 Å²	85.8	24%	0.241	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-73.6	-4.9	-178.4	-123.3	72.9	0	0	0	115.2	Y637 L802 G808 Y809	Y637-H806 VanDerWaalsContact CB-CE1 3.4Å; Y637-H806 WeakPolarHBondContact CB-CE1 3.45Å; Y637-H806 AromaticContact CD1-CE1 4Å; Y637-H806 AromaticContact CD2-CE1 3.46Å; Y637-H806 VanDerWaalsContact CD2-CE1 3.46Å; Y637-H806 WeakPolarHBondContact CD2-CE1 3.48Å; Y637-H806 AromaticContact CG-CE1 3.39Å; Y637-H806 AromaticContact CG-ND1 3.88Å; L802-H806 PolarHBondContact O-N 2.66Å; L802-H806 VanDerWaalsContact O-N 3.11Å; H806-G808 VanDerWaalsContact C-N 3.25Å; H806-G808 PolarHBondContact O-N 3.26Å; H806-Y809 VanDerWaalsContact O-O 3.06Å
807	R	58.2	Low	65.3	Low	210 Å²	210	87.2 Å²	87.2	79%	0.792	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-72.2	-13.6	179.1	-76.2	-174.3	175.3	-172.3	-2.9	114.3	Q805	Q805-R807 PolarHBondContact O-N 2.92Å
808	G	54.6	Low	63.8	Low	71 Å²	71	88 Å²	88	73%	0.732	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-81.9	-20.9	179.9	0	0	0	0	0	115.4	H806	H806-G808 VanDerWaalsContact C-N 3.25Å; H806-G808 PolarHBondContact O-N 3.26Å
809	Y	53.1	Low	62.2	Low	177 Å²	177	90.2 Å²	90.2	69%	0.694	46%	0.46	S	S	*	.	S	Bend	trans	-113.7	115.8	171.6	-88.9	-97.6	0	0	0	107.1	H806 S811	H806-Y809 VanDerWaalsContact O-O 3.06Å; Y809-S811 PolarHBondContact O-N 3.05Å
810	G	50.1	Low	60.7	Low	50 Å²	50	94 Å²	94	52%	0.515	47%	0.472	S	S	.	.			trans	-43.1	99.1	-163.7	0	0	0	0	0	115.3	N812 I813	G810-N812 PolarHBondContact O-N 2.93Å; G810-N812 VanDerWaalsContact O-N 3.07Å; G810-I813 PolarHBondContact O-N 3.21Å; G810-I813 VanDerWaalsContact O-N 3.14Å
811	S	49.6	Very low	59.2	Low	42 Å²	42	96 Å²	96	29%	0.294	48%	0.482	S	S	.	.	H	α-helix	trans	-50	-35.3	174.4	56.9	0	0	0	0	111.6	Y809 I813 D815	Y809-S811 PolarHBondContact O-N 3.05Å; S811-I813 PolarHBondContact O-N 3.45Å; S811-D815 WeakPolarHBondContact O-CB 3.31Å; S811-D815 PolarHBondContact O-N 3.09Å
812	N	57.1	Low	58.1	Low	121 Å²	121	97.7 Å²	97.7	65%	0.647	49%	0.488	S	S	*	.	H	α-helix	trans	-74.9	-17	-173.9	-64.5	-6.2	0	0	0	115.2	G810 N816	G810-N812 PolarHBondContact O-N 2.93Å; G810-N812 VanDerWaalsContact O-N 3.07Å; N812-N816 VanDerWaalsContact O-CB 3.26Å; N812-N816 WeakPolarHBondContact O-CB 3.4Å; N812-N816 PolarHBondContact O-ND2 2.97Å
813	I	50.7	Low	57.2	Low	125 Å²	125	102.9 Å²	102.9	64%	0.641	51%	0.512	S	S	*	.	H	α-helix	trans	-94.3	-44.2	179.3	-65.9	174.2	0	0	0	110	G810 S811 N816 L817	G810-I813 PolarHBondContact O-N 3.21Å; G810-I813 VanDerWaalsContact O-N 3.14Å; S811-I813 PolarHBondContact O-N 3.45Å; I813-N816 WeakPolarHBondContact O-CB 3.48Å; I813-N816 PolarHBondContact O-N 2.67Å; I813-L817 HydrophobicContact CG2-CD1 4.35Å; I813-L817 WeakPolarHBondContact O-CG 3.36Å; I813-L817 PolarHBondContact O-N 2.92Å
814	L	51.3	Low	56.5	Low	37 Å²	37	102.8 Å²	102.8	19%	0.194	51%	0.513	C	S	.	.	H	α-helix	trans	-73.2	-42.7	177.8	179.9	52.1	0	0	0	111.9	M634 N816 L817 L818	M634-L814 HydrophobicContact CE-CB 3.95Å; M634-L814 HydrophobicContact CE-CD1 3.02Å; M634-L814 HydrophobicContact CE-CD2 3.38Å; M634-L814 HydrophobicContact CE-CG 3.54Å; M634-L814 HydrophobicContact CG-CD2 3.51Å; M634-L814 HydrophobicContact SD-CD2 4.06Å; L814-N816 PolarHBondContact O-N 3.37Å; L814-L817 PolarHBondContact O-N 3.37Å; L814-L818 HydrophobicContact CD1-CD1 3.73Å; L814-L818 HydrophobicContact CD1-CG 3.85Å; L814-L818 HydrophobicContact CD2-CD1 4.29Å; L814-L818 HydrophobicContact CG-CD1 3.68Å; L814-L818 HydrophobicContact CG-CG 4.31Å; L814-L818 WeakPolarHBondContact O-CB 3.46Å; L814-L818 WeakPolarHBondContact O-CG 3.18Å; L814-L818 PolarHBondContact O-N 2.87Å
815	D	55.3	Low	55.7	Low	99 Å²	99	97.4 Å²	97.4	53%	0.529	49%	0.494	S	S	.	.	H	α-helix	trans	-63.1	-27.8	173.2	-68.7	-27.2	0	0	0	110.8	S811 S819	S811-D815 WeakPolarHBondContact O-CB 3.31Å; S811-D815 PolarHBondContact O-N 3.09Å; D815-S819 WeakPolarHBondContact O-CA 3.24Å; D815-S819 WeakPolarHBondContact O-CB 3.5Å; D815-S819 PolarHBondContact O-N 2.87Å; D815-S819 PolarHBondContact O-OG 2.92Å
816	N	55.4	Low	55.8	Low	85 Å²	85	97.4 Å²	97.4	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-72.5	-38.2	170.9	-107.1	-53.2	0	0	0	113.2	N812 I813 L814 S819 R820	N812-N816 VanDerWaalsContact O-CB 3.26Å; N812-N816 WeakPolarHBondContact O-CB 3.4Å; N812-N816 PolarHBondContact O-ND2 2.97Å; I813-N816 WeakPolarHBondContact O-CB 3.48Å; I813-N816 PolarHBondContact O-N 2.67Å; L814-N816 PolarHBondContact O-N 3.37Å; N816-S819 PolarHBondContact O-OG 2.91Å; N816-R820 WeakPolarHBondContact O-CB 3.49Å; N816-R820 WeakPolarHBondContact O-CD 3.5Å; N816-R820 WeakPolarHBondContact O-CG 3.48Å; N816-R820 PolarHBondContact O-N 2.95Å
817	L	54.4	Low	56.2	Low	96 Å²	96	98.8 Å²	98.8	50%	0.503	51%	0.506	S	S	.	.	H	α-helix	trans	-72.6	-40.5	177.2	-77.4	168.9	0	0	0	111.1	I813 L814 R820 M821	I813-L817 HydrophobicContact CG2-CD1 4.35Å; I813-L817 WeakPolarHBondContact O-CG 3.36Å; I813-L817 PolarHBondContact O-N 2.92Å; L814-L817 PolarHBondContact O-N 3.37Å; L817-R820 PolarHBondContact O-N 3.29Å; L817-M821 WeakPolarHBondContact O-CB 3.46Å; L817-M821 VanDerWaalsContact O-CG 3.31Å; L817-M821 WeakPolarHBondContact O-CG 3.36Å; L817-M821 PolarHBondContact O-N 3.03Å
818	L	58.1	Low	56.6	Low	79 Å²	79	93.7 Å²	93.7	41%	0.414	49%	0.494	S	S	.	.	H	α-helix	trans	-68	-46.1	175	-75.7	164.2	0	0	0	111.3	L814 R820 M821 E822	L814-L818 HydrophobicContact CD1-CD1 3.73Å; L814-L818 HydrophobicContact CD1-CG 3.85Å; L814-L818 HydrophobicContact CD2-CD1 4.29Å; L814-L818 HydrophobicContact CG-CD1 3.68Å; L814-L818 HydrophobicContact CG-CG 4.31Å; L814-L818 WeakPolarHBondContact O-CB 3.46Å; L814-L818 WeakPolarHBondContact O-CG 3.18Å; L814-L818 PolarHBondContact O-N 2.87Å; L818-R820 VanDerWaalsContact C-N 3.29Å; L818-R820 PolarHBondContact O-N 2.84Å; L818-M821 PolarHBondContact O-N 2.82Å; L818-E822 VanDerWaalsContact O-CB 3.28Å; L818-E822 WeakPolarHBondContact O-CB 3.37Å; L818-E822 PolarHBondContact O-N 3.33Å
819	S	55.8	Low	57.3	Low	48 Å²	48	96.2 Å²	96.2	34%	0.336	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-36.7	175.1	74.6	0	0	0	0	111.4	D815 N816 E822 Q823	D815-S819 WeakPolarHBondContact O-CA 3.24Å; D815-S819 WeakPolarHBondContact O-CB 3.5Å; D815-S819 PolarHBondContact O-N 2.87Å; D815-S819 PolarHBondContact O-OG 2.92Å; N816-S819 PolarHBondContact O-OG 2.91Å; S819-E822 PolarHBondContact O-N 3.49Å; S819-Q823 WeakPolarHBondContact O-CB 3.46Å; S819-Q823 PolarHBondContact O-N 2.9Å
820	R	55.2	Low	58.1	Low	148 Å²	148	94.3 Å²	94.3	56%	0.558	48%	0.484	S	S	*	.	H	α-helix	trans	-65.9	-44.1	173.8	-79.6	174.6	178.2	-161.8	-1.6	111.7	N816 L817 L818 E822 Q823 Y824	N816-R820 WeakPolarHBondContact O-CB 3.49Å; N816-R820 WeakPolarHBondContact O-CD 3.5Å; N816-R820 WeakPolarHBondContact O-CG 3.48Å; N816-R820 PolarHBondContact O-N 2.95Å; L817-R820 PolarHBondContact O-N 3.29Å; L818-R820 VanDerWaalsContact C-N 3.29Å; L818-R820 PolarHBondContact O-N 2.84Å; R820-E822 VanDerWaalsContact C-N 3.33Å; R820-E822 PolarHBondContact O-N 3.23Å; R820-Q823 PolarHBondContact O-N 3.29Å; R820-Y824 HydrophobicContact CB-CD2 4.49Å; R820-Y824 WeakPolarHBondContact O-CB 3.2Å; R820-Y824 WeakPolarHBondContact O-CD2 3.48Å; R820-Y824 PolarHBondContact O-N 2.94Å
821	M	54	Low	59.2	Low	139 Å²	139	96.5 Å²	96.5	69%	0.685	48%	0.483	S	S	*	.	H	α-helix	trans	-64.7	-38.8	176.9	-74.2	-174.1	75.5	0	0	112.1	L817 L818 Y824 A825	L817-M821 WeakPolarHBondContact O-CB 3.46Å; L817-M821 VanDerWaalsContact O-CG 3.31Å; L817-M821 WeakPolarHBondContact O-CG 3.36Å; L817-M821 PolarHBondContact O-N 3.03Å; L818-M821 PolarHBondContact O-N 2.82Å; M821-Y824 PolarHBondContact O-N 3.4Å; M821-A825 WeakPolarHBondContact O-CB 3.48Å; M821-A825 PolarHBondContact O-N 3.17Å
822	E	59.2	Low	60.2	Low	85 Å²	85	98.7 Å²	98.7	40%	0.397	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-42.2	175.6	-171.8	173.6	-168.8	0	0	111.7	L818 S819 R820 A825 N826	L818-E822 VanDerWaalsContact O-CB 3.28Å; L818-E822 WeakPolarHBondContact O-CB 3.37Å; L818-E822 PolarHBondContact O-N 3.33Å; S819-E822 PolarHBondContact O-N 3.49Å; R820-E822 VanDerWaalsContact C-N 3.33Å; R820-E822 PolarHBondContact O-N 3.23Å; E822-A825 PolarHBondContact O-N 3.28Å; E822-N826 WeakPolarHBondContact O-CB 3.38Å; E822-N826 PolarHBondContact O-N 3Å; E822-N826 PolarHBondContact O-ND2 3.27Å; E822-N826 PolarHBondContact O-OD1 2.91Å
823	Q	61.1	Low	60.8	Low	117 Å²	117	99 Å²	99	55%	0.547	49%	0.493	S	S	.	.	H	α-helix	trans	-66.3	-40.4	175.2	-168.5	175.5	14.7	0	0	111.5	S819 R820 A825 N826 N827	S819-Q823 WeakPolarHBondContact O-CB 3.46Å; S819-Q823 PolarHBondContact O-N 2.9Å; R820-Q823 PolarHBondContact O-N 3.29Å; Q823-A825 VanDerWaalsContact C-N 3.34Å; Q823-A825 PolarHBondContact O-N 3Å; Q823-N826 PolarHBondContact O-N 3.34Å; Q823-N827 VanDerWaalsContact O-CB 3.23Å; Q823-N827 WeakPolarHBondContact O-CB 3.46Å; Q823-N827 PolarHBondContact O-N 3.19Å; Q823-N827 PolarHBondContact O-ND2 3.41Å; Q823-N827 PolarHBondContact O-OD1 3.42Å
824	Y	58.1	Low	61.9	Low	164 Å²	164	99 Å²	99	64%	0.643	49%	0.489	S	S	*	.	H	α-helix	trans	-63.3	-39.6	173.4	-86.3	-65.4	0	0	0	112.1	R820 M821 L828	R820-Y824 HydrophobicContact CB-CD2 4.49Å; R820-Y824 WeakPolarHBondContact O-CB 3.2Å; R820-Y824 WeakPolarHBondContact O-CD2 3.48Å; R820-Y824 PolarHBondContact O-N 2.94Å; M821-Y824 PolarHBondContact O-N 3.4Å; Y824-L828 WeakPolarHBondContact O-CB 3.47Å; Y824-L828 WeakPolarHBondContact O-CD1 3.49Å; Y824-L828 WeakPolarHBondContact O-CG 3.3Å; Y824-L828 PolarHBondContact O-N 3.11Å
825	A	56.7	Low	62.9	Low	26 Å²	26	106.6 Å²	106.6	22%	0.215	52%	0.516	C	S	.	.	H	α-helix	trans	-67.8	-45.2	177.8	0	0	0	0	0	112	M821 E822 Q823 L828 E829	M821-A825 WeakPolarHBondContact O-CB 3.48Å; M821-A825 PolarHBondContact O-N 3.17Å; E822-A825 PolarHBondContact O-N 3.28Å; Q823-A825 VanDerWaalsContact C-N 3.34Å; Q823-A825 PolarHBondContact O-N 3Å; A825-L828 PolarHBondContact O-N 3.32Å; A825-E829 PolarHBondContact O-N 3.39Å
826	N	65.9	Low	63.7	Low	74 Å²	74	105.3 Å²	105.3	40%	0.396	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-41.1	179.6	-65.5	-9.7	0	0	0	111.4	E822 Q823 L828 E829 E830	E822-N826 WeakPolarHBondContact O-CB 3.38Å; E822-N826 PolarHBondContact O-N 3Å; E822-N826 PolarHBondContact O-ND2 3.27Å; E822-N826 PolarHBondContact O-OD1 2.91Å; Q823-N826 PolarHBondContact O-N 3.34Å; N826-L828 VanDerWaalsContact C-N 3.28Å; N826-L828 PolarHBondContact O-N 3.26Å; N826-E829 PolarHBondContact O-N 3.47Å; N826-E830 WeakPolarHBondContact O-CB 3.47Å; N826-E830 PolarHBondContact O-N 3.29Å
827	N	67.1	Low	64.8	Low	81 Å²	81	107 Å²	107	43%	0.433	52%	0.517	S	S	.	.	H	α-helix	trans	-63.4	-34.6	174.6	-67.7	-2.5	0	0	0	111.9	Q823 L831	Q823-N827 VanDerWaalsContact O-CB 3.23Å; Q823-N827 WeakPolarHBondContact O-CB 3.46Å; Q823-N827 PolarHBondContact O-N 3.19Å; Q823-N827 PolarHBondContact O-ND2 3.41Å; Q823-N827 PolarHBondContact O-OD1 3.42Å; N827-L831 WeakPolarHBondContact O-CB 3.39Å; N827-L831 PolarHBondContact O-N 3.01Å
828	L	65.7	Low	65.8	Low	104 Å²	104	104.9 Å²	104.9	55%	0.545	51%	0.513	S	S	.	.	H	α-helix	trans	-69.5	-40.6	175.5	-87.5	161.6	0	0	0	111.8	Y824 A825 N826 V832	Y824-L828 WeakPolarHBondContact O-CB 3.47Å; Y824-L828 WeakPolarHBondContact O-CD1 3.49Å; Y824-L828 WeakPolarHBondContact O-CG 3.3Å; Y824-L828 PolarHBondContact O-N 3.11Å; A825-L828 PolarHBondContact O-N 3.32Å; N826-L828 VanDerWaalsContact C-N 3.28Å; N826-L828 PolarHBondContact O-N 3.26Å; L828-V832 WeakPolarHBondContact O-CB 3.38Å; L828-V832 WeakPolarHBondContact O-CG2 3.5Å; L828-V832 PolarHBondContact O-N 3.37Å
829	E	69.3	Low	66.7	Low	124 Å²	124	108.4 Å²	108.4	58%	0.579	52%	0.522	S	S	*	.	H	α-helix	trans	-64.2	-46.6	175.4	-77.3	-177.1	-179.8	0	0	111.5	A825 N826 L831 V832 E833	A825-E829 PolarHBondContact O-N 3.39Å; N826-E829 PolarHBondContact O-N 3.47Å; E829-L831 VanDerWaalsContact C-N 3.34Å; E829-L831 PolarHBondContact O-N 3.11Å; E829-V832 PolarHBondContact O-N 2.93Å; E829-E833 WeakPolarHBondContact O-CB 3.48Å; E829-E833 PolarHBondContact O-N 3.48Å
830	E	70.8	Confident	67.5	Low	136 Å²	136	110 Å²	110	64%	0.636	53%	0.527	S	S	*	.	H	α-helix	trans	-59.8	-45.1	176.7	-173.1	173.3	-164	0	0	111.1	N826 V832 E833 E834	N826-E830 WeakPolarHBondContact O-CB 3.47Å; N826-E830 PolarHBondContact O-N 3.29Å; E830-V832 PolarHBondContact O-N 3.31Å; E830-E833 PolarHBondContact O-N 2.9Å; E830-E834 WeakPolarHBondContact O-CB 3.4Å; E830-E834 PolarHBondContact O-N 2.81Å
831	L	72.1	Confident	68.6	Low	96 Å²	96	108 Å²	108	50%	0.503	52%	0.524	S	S	.	.	H	α-helix	trans	-65.1	-38.1	177.4	-173.2	69.8	0	0	0	112.6	N827 E829 R835	N827-L831 WeakPolarHBondContact O-CB 3.39Å; N827-L831 PolarHBondContact O-N 3.01Å; E829-L831 VanDerWaalsContact C-N 3.34Å; E829-L831 PolarHBondContact O-N 3.11Å; L831-R835 WeakPolarHBondContact O-CB 3.47Å; L831-R835 PolarHBondContact O-N 3.39Å
832	V	70.6	Confident	69.6	Low	89 Å²	89	106.5 Å²	106.5	54%	0.539	52%	0.515	S	S	.	.	H	α-helix	trans	-67.6	-40.2	175.9	167.8	0	0	0	0	110.4	L828 E829 E830 T836	L828-V832 WeakPolarHBondContact O-CB 3.38Å; L828-V832 WeakPolarHBondContact O-CG2 3.5Å; L828-V832 PolarHBondContact O-N 3.37Å; E829-V832 PolarHBondContact O-N 2.93Å; E830-V832 PolarHBondContact O-N 3.31Å; V832-T836 VanDerWaalsContact O-CB 3.27Å; V832-T836 WeakPolarHBondContact O-CB 3.14Å; V832-T836 PolarHBondContact O-N 3.44Å; V832-T836 PolarHBondContact O-OG1 2.9Å
833	E	69.2	Low	70.4	Confident	128 Å²	128	107.3 Å²	107.3	60%	0.598	52%	0.517	S	S	*	.	H	α-helix	trans	-65.3	-47.4	177.1	-169.4	165.3	-167.2	0	0	111.3	E829 E830 R835 T836 Q837	E829-E833 WeakPolarHBondContact O-CB 3.48Å; E829-E833 PolarHBondContact O-N 3.48Å; E830-E833 PolarHBondContact O-N 2.9Å; E833-R835 PolarHBondContact O-N 2.96Å; E833-T836 PolarHBondContact O-N 3.23Å; E833-Q837 WeakPolarHBondContact O-CG 3.44Å; E833-Q837 PolarHBondContact O-N 3.35Å
834	E	74.1	Confident	71.2	Confident	123 Å²	123	110 Å²	110	58%	0.575	52%	0.522	S	S	*	.	H	α-helix	trans	-59	-47.8	175.7	-170.9	-174.7	-176.7	0	0	111.4	E830 T836 Q837 A838	E830-E834 WeakPolarHBondContact O-CB 3.4Å; E830-E834 PolarHBondContact O-N 2.81Å; E834-T836 VanDerWaalsContact C-N 3.28Å; E834-T836 PolarHBondContact O-N 3.2Å; E834-Q837 PolarHBondContact O-N 2.97Å; E834-A838 PolarHBondContact O-N 3.23Å
835	R	71.9	Confident	72.3	Confident	198 Å²	198	107.6 Å²	107.6	75%	0.747	52%	0.515	S	S	*	.	H	α-helix	trans	-65	-33.6	179	-167.1	172.3	-173.4	140.4	1.6	112.4	L831 E833 Y839	L831-R835 WeakPolarHBondContact O-CB 3.47Å; L831-R835 PolarHBondContact O-N 3.39Å; E833-R835 PolarHBondContact O-N 2.96Å; R835-Y839 WeakPolarHBondContact O-CB 3.46Å; R835-Y839 PolarHBondContact O-N 3.21Å
836	T	73.9	Confident	73.3	Confident	72 Å²	72	109.4 Å²	109.4	44%	0.442	53%	0.53	S	S	.	.	H	α-helix	trans	-70.1	-38.8	175.6	-58.4	0	0	0	0	111.1	V832 E833 E834 Y839 N840	V832-T836 VanDerWaalsContact O-CB 3.27Å; V832-T836 WeakPolarHBondContact O-CB 3.14Å; V832-T836 PolarHBondContact O-N 3.44Å; V832-T836 PolarHBondContact O-OG1 2.9Å; E833-T836 PolarHBondContact O-N 3.23Å; E834-T836 VanDerWaalsContact C-N 3.28Å; E834-T836 PolarHBondContact O-N 3.2Å; T836-Y839 PolarHBondContact O-N 3.4Å; T836-N840 PolarHBondContact O-N 3.23Å; T836-N840 PolarHBondContact O-ND2 3.4Å; T836-N840 VanDerWaalsContact O-ND2 3.13Å
837	Q	76.9	Confident	74	Confident	120 Å²	120	108.2 Å²	108.2	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-64.8	-47.8	174	-71.7	-178.6	11.8	0	0	111.4	E833 E834 Y839 N840 E841	E833-Q837 WeakPolarHBondContact O-CG 3.44Å; E833-Q837 PolarHBondContact O-N 3.35Å; E834-Q837 PolarHBondContact O-N 2.97Å; Q837-Y839 VanDerWaalsContact C-N 3.31Å; Q837-Y839 PolarHBondContact O-N 2.99Å; Q837-N840 PolarHBondContact O-N 3.23Å; Q837-N840 VanDerWaalsContact O-N 3.11Å; Q837-E841 PolarHBondContact O-N 3.02Å
838	A	76.1	Confident	74.6	Confident	52 Å²	52	106.8 Å²	106.8	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-58.1	-42.6	175.9	0	0	0	0	0	112	E834 N840 E841 E842	E834-A838 PolarHBondContact O-N 3.23Å; A838-N840 PolarHBondContact O-N 3.16Å; A838-E841 PolarHBondContact O-N 3.17Å; A838-E842 PolarHBondContact O-N 3.49Å
839	Y	76.7	Confident	75.4	Confident	153 Å²	153	106.8 Å²	106.8	60%	0.6	52%	0.522	S	S	*	.	H	α-helix	trans	-60.9	-43	175	176	-97.3	0	0	0	112.5	R835 T836 Q837 E841 E842 K843	R835-Y839 WeakPolarHBondContact O-CB 3.46Å; R835-Y839 PolarHBondContact O-N 3.21Å; T836-Y839 PolarHBondContact O-N 3.4Å; Q837-Y839 VanDerWaalsContact C-N 3.31Å; Q837-Y839 PolarHBondContact O-N 2.99Å; Y839-E841 VanDerWaalsContact C-N 3.32Å; Y839-E841 PolarHBondContact O-N 3.5Å; Y839-E842 PolarHBondContact O-N 2.8Å; Y839-K843 VanDerWaalsContact O-CB 3.3Å; Y839-K843 WeakPolarHBondContact O-CB 3.47Å; Y839-K843 PolarHBondContact O-N 2.74Å
840	N	72.5	Confident	75.9	Confident	81 Å²	81	103.4 Å²	103.4	43%	0.433	51%	0.507	S	S	.	.	H	α-helix	trans	-66.2	-35.1	178.6	-78.7	-40.4	0	0	0	112.5	T836 Q837 A838 R844	T836-N840 PolarHBondContact O-N 3.23Å; T836-N840 PolarHBondContact O-ND2 3.4Å; T836-N840 VanDerWaalsContact O-ND2 3.13Å; Q837-N840 PolarHBondContact O-N 3.23Å; Q837-N840 VanDerWaalsContact O-N 3.11Å; A838-N840 PolarHBondContact O-N 3.16Å; N840-R844 PolarHBondContact O-N 2.65Å
841	E	78.3	Confident	76.4	Confident	106 Å²	106	99.9 Å²	99.9	50%	0.495	49%	0.489	S	S	.	.	H	α-helix	trans	-70.6	-45.2	176.9	-168.2	169.2	-171	0	0	111.9	Q837 A838 Y839 K843 R844 K845	Q837-E841 PolarHBondContact O-N 3.02Å; A838-E841 PolarHBondContact O-N 3.17Å; Y839-E841 VanDerWaalsContact C-N 3.32Å; Y839-E841 PolarHBondContact O-N 3.5Å; E841-K843 VanDerWaalsContact C-N 3.32Å; E841-K843 PolarHBondContact O-N 3.21Å; E841-R844 WeakPolarHBondContact O-CB 3.3Å; E841-R844 PolarHBondContact O-N 3.25Å; E841-R844 VanDerWaalsContact O-N 3.11Å; E841-K845 PolarHBondContact O-N 3.35Å
842	E	74.4	Confident	76.6	Confident	108 Å²	108	102.7 Å²	102.7	51%	0.505	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-39.8	174.3	-74.7	-56.7	122.6	0	0	112	A838 Y839 R844 K845 A846	A838-E842 PolarHBondContact O-N 3.49Å; Y839-E842 PolarHBondContact O-N 2.8Å; E842-R844 VanDerWaalsContact C-N 3.32Å; E842-R844 PolarHBondContact O-N 2.75Å; E842-K845 PolarHBondContact O-N 3.49Å; E842-K845 IonicContact OE1-NZ 2.99Å; E842-K845 PolarHBondContact OE1-NZ 3.11Å; E842-A846 WeakPolarHBondContact O-CB 3.29Å; E842-A846 PolarHBondContact O-N 3.29Å
843	K	78	Confident	76.9	Confident	101 Å²	101	103.4 Å²	103.4	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-57.9	-44.9	171.8	-179	-179.2	175.2	-177.4	0	111.5	Y839 E841 K845 A846 E847	Y839-K843 VanDerWaalsContact O-CB 3.3Å; Y839-K843 WeakPolarHBondContact O-CB 3.47Å; Y839-K843 PolarHBondContact O-N 2.74Å; E841-K843 VanDerWaalsContact C-N 3.32Å; E841-K843 PolarHBondContact O-N 3.21Å; K843-K845 PolarHBondContact O-N 3.1Å; K843-A846 PolarHBondContact O-N 2.87Å; K843-E847 WeakPolarHBondContact CE-OE1 3.46Å; K843-E847 WeakPolarHBondContact O-CG 3.34Å; K843-E847 PolarHBondContact O-N 3.23Å
844	R	76.9	Confident	77.5	Confident	174 Å²	174	97.5 Å²	97.5	66%	0.657	47%	0.471	S	S	*	.	H	α-helix	trans	-62.9	-41.5	179.3	-168.9	-173.9	-68.8	143	-2.1	111.7	N840 E841 E842 E847 A848	N840-R844 PolarHBondContact O-N 2.65Å; E841-R844 WeakPolarHBondContact O-CB 3.3Å; E841-R844 PolarHBondContact O-N 3.25Å; E841-R844 VanDerWaalsContact O-N 3.11Å; E842-R844 VanDerWaalsContact C-N 3.32Å; E842-R844 PolarHBondContact O-N 2.75Å; R844-E847 PolarHBondContact O-N 3.03Å; R844-A848 WeakPolarHBondContact O-CB 3.44Å; R844-A848 PolarHBondContact O-N 2.87Å
845	K	81.1	Confident	77.9	Confident	113 Å²	113	92 Å²	92	49%	0.491	45%	0.447	S	S	.	.	H	α-helix	trans	-63.2	-44.6	175.9	-67.4	175.5	-169.3	162.8	0	111.8	E841 E842 K843 E847 A848 L849	E841-K845 PolarHBondContact O-N 3.35Å; E842-K845 PolarHBondContact O-N 3.49Å; E842-K845 IonicContact OE1-NZ 2.99Å; E842-K845 PolarHBondContact OE1-NZ 3.11Å; K843-K845 PolarHBondContact O-N 3.1Å; K845-E847 PolarHBondContact O-N 2.97Å; K845-A848 PolarHBondContact O-N 2.94Å; K845-L849 PolarHBondContact O-N 2.92Å; K845-L849 VanDerWaalsContact O-N 3.13Å
846	A	78.1	Confident	78.4	Confident	64 Å²	64	88.1 Å²	88.1	53%	0.529	44%	0.437	S	S	.	.	H	α-helix	trans	-63.2	-40.5	177.4	0	0	0	0	0	112.4	E842 K843 L849 L850	E842-A846 WeakPolarHBondContact O-CB 3.29Å; E842-A846 PolarHBondContact O-N 3.29Å; K843-A846 PolarHBondContact O-N 2.87Å; A846-L849 PolarHBondContact O-N 3.5Å; A846-L850 PolarHBondContact O-N 3.3Å; A846-L850 VanDerWaalsContact O-N 3.14Å
847	E	81.3	Confident	78.7	Confident	49 Å²	49	87.1 Å²	87.1	23%	0.229	43%	0.432	C	S	.	.	H	α-helix	trans	-65.8	-41.4	175.8	-72.4	-177.5	172.8	0	0	112.2	K843 R844 K845 L849 L850 Y851 K863	K843-E847 WeakPolarHBondContact CE-OE1 3.46Å; K843-E847 WeakPolarHBondContact O-CG 3.34Å; K843-E847 PolarHBondContact O-N 3.23Å; R844-E847 PolarHBondContact O-N 3.03Å; K845-E847 PolarHBondContact O-N 2.97Å; E847-L849 VanDerWaalsContact C-N 3.34Å; E847-L849 PolarHBondContact O-N 2.75Å; E847-L850 WeakPolarHBondContact O-CB 3.34Å; E847-L850 PolarHBondContact O-N 2.85Å; E847-Y851 HydrophobicContact CB-CE2 4.17Å; E847-Y851 WeakPolarHBondContact O-CD2 3.42Å; E847-Y851 PolarHBondContact O-N 3.3Å; E847-Y851 VanDerWaalsContact O-N 3.12Å; E847-K863 WeakPolarHBondContact OE1-CE 3.35Å; E847-K863 IonicContact OE1-NZ 3.19Å; E847-K863 PolarHBondContact OE1-NZ 2.57Å; E847-K863 IonicContact OE2-NZ 2.79Å; E847-K863 PolarHBondContact OE2-NZ 2.78Å
848	A	78.9	Confident	78.9	Confident	52 Å²	52	81.7 Å²	81.7	43%	0.43	41%	0.407	S	S	.	.	H	α-helix	trans	-60.5	-42.3	176.9	0	0	0	0	0	112.2	R844 K845 L850 Y851 Q852	R844-A848 WeakPolarHBondContact O-CB 3.44Å; R844-A848 PolarHBondContact O-N 2.87Å; K845-A848 PolarHBondContact O-N 2.94Å; A848-L850 VanDerWaalsContact C-N 3.32Å; A848-L850 PolarHBondContact O-N 3.37Å; A848-Y851 PolarHBondContact O-N 3.43Å; A848-Q852 WeakPolarHBondContact O-CG 3.48Å; A848-Q852 PolarHBondContact O-N 2.96Å
849	L	81.3	Confident	79.2	Confident	103 Å²	103	79.2 Å²	79.2	54%	0.539	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-37.9	175.6	-170.7	73.6	0	0	0	111.9	K845 A846 E847 Y851 Q852	K845-L849 PolarHBondContact O-N 2.92Å; K845-L849 VanDerWaalsContact O-N 3.13Å; A846-L849 PolarHBondContact O-N 3.5Å; E847-L849 VanDerWaalsContact C-N 3.34Å; E847-L849 PolarHBondContact O-N 2.75Å; L849-Y851 PolarHBondContact O-N 3.2Å; L849-Q852 PolarHBondContact O-N 3.41Å
850	L	81.6	Confident	79.5	Confident	53 Å²	53	74.5 Å²	74.5	28%	0.277	37%	0.372	S	S	.	.	H	α-helix	trans	-64	-40.9	178.6	-172.9	66	0	0	0	112	A846 E847 A848 Q852 I853 L854 A859 K863	A846-L850 PolarHBondContact O-N 3.3Å; A846-L850 VanDerWaalsContact O-N 3.14Å; E847-L850 WeakPolarHBondContact O-CB 3.34Å; E847-L850 PolarHBondContact O-N 2.85Å; A848-L850 VanDerWaalsContact C-N 3.32Å; A848-L850 PolarHBondContact O-N 3.37Å; L850-Q852 VanDerWaalsContact C-N 3.26Å; L850-Q852 PolarHBondContact O-N 3.47Å; L850-I853 PolarHBondContact O-N 2.95Å; L850-L854 HydrophobicContact CD1-CD1 4.21Å; L850-L854 PolarHBondContact O-N 3.43Å; L850-A859 HydrophobicContact CD2-CB 3.98Å; L850-A859 HydrophobicContact CG-CB 3.97Å; L850-K863 HydrophobicContact CD2-CD 4.11Å; L850-K863 HydrophobicContact CD2-CG 3.9Å
851	Y	80.4	Confident	79.9	Confident	62 Å²	62	73.7 Å²	73.7	24%	0.243	37%	0.366	C	S	.	.	H	α-helix	trans	-70.2	-19.2	177.4	-60.8	-48.9	0	0	0	113.9	E847 A848 L849 I853 H856 A859 D860 K863	E847-Y851 HydrophobicContact CB-CE2 4.17Å; E847-Y851 WeakPolarHBondContact O-CD2 3.42Å; E847-Y851 PolarHBondContact O-N 3.3Å; E847-Y851 VanDerWaalsContact O-N 3.12Å; A848-Y851 PolarHBondContact O-N 3.43Å; L849-Y851 PolarHBondContact O-N 3.2Å; Y851-I853 VanDerWaalsContact C-N 3.32Å; Y851-H856 HydrophobicContact CD1-CB 4.43Å; Y851-H856 AromaticContact CD1-CD2 3.49Å; Y851-H856 VanDerWaalsContact CD1-CD2 3.49Å; Y851-H856 WeakPolarHBondContact CD1-CD2 3.31Å; Y851-H856 AromaticContact CD1-CG 3.97Å; Y851-H856 AromaticContact CD1-NE2 3.97Å; Y851-H856 AromaticContact CE1-CD2 3.77Å; Y851-H856 AromaticContact CG-CD2 3.74Å; Y851-H856 AromaticContact CG-NE2 3.73Å; Y851-A859 HydrophobicContact CD1-CB 3.73Å; Y851-A859 HydrophobicContact CE1-CB 3.79Å; Y851-D860 PolarHBondContact OH-OD1 3.36Å; Y851-K863 PolarHBondContact OH-NZ 2.87Å
852	Q	75.8	Confident	79.9	Confident	156 Å²	156	71.8 Å²	71.8	73%	0.729	36%	0.359	S	S	*	.	H	α-helix	trans	-74.6	-24	172.3	-70.8	177.8	-3	0	0	112.6	A848 L849 L850	A848-Q852 WeakPolarHBondContact O-CG 3.48Å; A848-Q852 PolarHBondContact O-N 2.96Å; L849-Q852 PolarHBondContact O-N 3.41Å; L850-Q852 VanDerWaalsContact C-N 3.26Å; L850-Q852 PolarHBondContact O-N 3.47Å
853	I	77.6	Confident	80.1	Confident	104 Å²	104	70.7 Å²	70.7	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-100.4	-36.5	-175.2	-58.2	172	0	0	0	111.3	L850 Y851	L850-I853 PolarHBondContact O-N 2.95Å; Y851-I853 VanDerWaalsContact C-N 3.32Å
854	L	81.8	Confident	80.2	Confident	3 Å²	3	73 Å²	73	2%	0.016	36%	0.358	C	S	.	.	S	Bend	trans	-125.9	149.3	-175.4	-65.4	174.8	0	0	0	111.5	L850 A859 L862 P991	L850-L854 HydrophobicContact CD1-CD1 4.21Å; L850-L854 PolarHBondContact O-N 3.43Å; L854-A859 HydrophobicContact CB-CB 4.35Å; L854-L862 HydrophobicContact CD1-CD1 3.44Å; L854-L862 VanDerWaalsContact CD1-CD1 3.44Å; L854-P991 HydrophobicContact CD1-CG 4.24Å
855	P	81.8	Confident	80.1	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.058	36%	0.36	C	S	.	.			trans	-59.6	144.8	172.8	-12.4	22.3	0	0	0	111.8	S857 V858 A859 Y919 P935 Y993	P855-S857 VanDerWaalsContact C-N 3.31Å; P855-S857 PolarHBondContact O-N 3.25Å; P855-V858 HydrophobicContact CB-CG2 4.42Å; P855-V858 HydrophobicContact CG-CG2 4.27Å; P855-V858 WeakPolarHBondContact O-CB 3.47Å; P855-V858 PolarHBondContact O-N 3.47Å; P855-A859 PolarHBondContact O-N 3.08Å; P855-Y919 HydrophobicContact CB-CE2 4.26Å; P855-Y919 HydrophobicContact CG-CD2 4.32Å; P855-Y919 HydrophobicContact CG-CE1 4.37Å; P855-Y919 HydrophobicContact CG-CE2 3.64Å; P855-P935 HydrophobicContact CB-CG 3.71Å; P855-P935 HydrophobicContact CG-CG 4.21Å; P855-Y993 HydrophobicContact CG-CD1 4.28Å; P855-Y993 HydrophobicContact CG-CG 4.18Å
856	H	83.1	Confident	79.9	Confident	116 Å²	116	66.7 Å²	66.7	54%	0.537	36%	0.356	S	S	.	.	H	α-helix	trans	-49.7	-46.5	-177.3	-70.5	81.6	0	0	0	113.7	Y851 V858 A859 D860	Y851-H856 HydrophobicContact CD1-CB 4.43Å; Y851-H856 AromaticContact CD1-CD2 3.49Å; Y851-H856 VanDerWaalsContact CD1-CD2 3.49Å; Y851-H856 WeakPolarHBondContact CD1-CD2 3.31Å; Y851-H856 AromaticContact CD1-CG 3.97Å; Y851-H856 AromaticContact CD1-NE2 3.97Å; Y851-H856 AromaticContact CE1-CD2 3.77Å; Y851-H856 AromaticContact CG-CD2 3.74Å; Y851-H856 AromaticContact CG-NE2 3.73Å; H856-V858 VanDerWaalsContact C-N 3.27Å; H856-V858 PolarHBondContact O-N 2.91Å; H856-A859 PolarHBondContact O-N 3.08Å; H856-D860 WeakPolarHBondContact O-CB 3.32Å; H856-D860 PolarHBondContact O-N 2.84Å
857	S	80.3	Confident	79.6	Confident	50 Å²	50	69.3 Å²	69.3	35%	0.35	37%	0.366	S	S	.	.	H	α-helix	trans	-60.9	-34.5	179.9	54.9	0	0	0	0	113.5	P855 Q861	P855-S857 VanDerWaalsContact C-N 3.31Å; P855-S857 PolarHBondContact O-N 3.25Å; S857-Q861 WeakPolarHBondContact O-CG 3.2Å
858	V	80.9	Confident	79.2	Confident	6 Å²	6	68.4 Å²	68.4	4%	0.036	36%	0.363	C	S	.	.	H	α-helix	trans	-81.9	-42.8	-179.8	174.9	0	0	0	0	110.5	P855 H856 D860 Q861 L862 V868 V985 Y993	P855-V858 HydrophobicContact CB-CG2 4.42Å; P855-V858 HydrophobicContact CG-CG2 4.27Å; P855-V858 WeakPolarHBondContact O-CB 3.47Å; P855-V858 PolarHBondContact O-N 3.47Å; H856-V858 VanDerWaalsContact C-N 3.27Å; H856-V858 PolarHBondContact O-N 2.91Å; V858-D860 VanDerWaalsContact C-N 3.32Å; V858-D860 PolarHBondContact O-N 3.18Å; V858-Q861 PolarHBondContact O-N 2.94Å; V858-L862 HydrophobicContact CG1-CD1 4.37Å; V858-L862 WeakPolarHBondContact O-CG 3.22Å; V858-L862 PolarHBondContact O-N 3.11Å; V858-L862 VanDerWaalsContact O-N 3.07Å; V858-V868 HydrophobicContact CG1-CG1 4.05Å; V858-V868 HydrophobicContact CG1-CG2 3.85Å; V858-V868 HydrophobicContact CG2-CG1 4.45Å; V858-V985 HydrophobicContact CG1-CG2 3.45Å; V858-V985 VanDerWaalsContact CG1-CG2 3.45Å; V858-Y993 HydrophobicContact CG2-CD2 4.09Å; V858-Y993 HydrophobicContact CG2-CE2 3.88Å
859	A	83.1	Confident	79.2	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-59.4	-41.8	176.5	0	0	0	0	0	111.8	L850 Y851 L854 P855 H856 L862 K863	L850-A859 HydrophobicContact CD2-CB 3.98Å; L850-A859 HydrophobicContact CG-CB 3.97Å; Y851-A859 HydrophobicContact CD1-CB 3.73Å; Y851-A859 HydrophobicContact CE1-CB 3.79Å; L854-A859 HydrophobicContact CB-CB 4.35Å; P855-A859 PolarHBondContact O-N 3.08Å; H856-A859 PolarHBondContact O-N 3.08Å; A859-L862 PolarHBondContact O-N 2.84Å; A859-K863 VanDerWaalsContact O-CG 3.31Å; A859-K863 WeakPolarHBondContact O-CG 3.24Å; A859-K863 PolarHBondContact O-N 3.05Å
860	D	83.3	Confident	79.2	Confident	54 Å²	54	72.2 Å²	72.2	29%	0.289	38%	0.382	S	S	.	.	H	α-helix	trans	-68.1	-34.6	178.2	-77.3	-29.3	0	0	0	113.5	Y851 H856 V858 K863 R864	Y851-D860 PolarHBondContact OH-OD1 3.36Å; H856-D860 WeakPolarHBondContact O-CB 3.32Å; H856-D860 PolarHBondContact O-N 2.84Å; V858-D860 VanDerWaalsContact C-N 3.32Å; V858-D860 PolarHBondContact O-N 3.18Å; D860-K863 PolarHBondContact O-N 3.34Å; D860-K863 IonicContact OD1-NZ 3.46Å; D860-R864 WeakPolarHBondContact O-CG 3.43Å; D860-R864 PolarHBondContact O-N 2.95Å
861	Q	80.5	Confident	79.4	Confident	65 Å²	65	73.8 Å²	73.8	30%	0.304	39%	0.388	S	S	.	.	H	α-helix	trans	-64.7	-45.1	172.7	-72.1	174.4	19	0	0	110.8	S857 V858 K863 R864 G865 E866 V868	S857-Q861 WeakPolarHBondContact O-CG 3.2Å; V858-Q861 PolarHBondContact O-N 2.94Å; Q861-K863 VanDerWaalsContact C-N 3.34Å; Q861-K863 PolarHBondContact O-N 2.85Å; Q861-R864 PolarHBondContact O-N 3.47Å; Q861-R864 VanDerWaalsContact O-N 3.13Å; Q861-G865 PolarHBondContact O-N 2.77Å; Q861-E866 HydrophobicContact CB-CB 4.3Å; Q861-E866 WeakPolarHBondContact O-CB 3.47Å; Q861-E866 PolarHBondContact O-N 2.84Å; Q861-V868 HydrophobicContact CB-CG2 4.25Å
862	L	78.6	Confident	79.8	Confident	66 Å²	66	73.9 Å²	73.9	35%	0.346	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-38.3	176.2	-69.8	172	0	0	0	112.3	L854 V858 A859 R864 G865 V868	L854-L862 HydrophobicContact CD1-CD1 3.44Å; L854-L862 VanDerWaalsContact CD1-CD1 3.44Å; V858-L862 HydrophobicContact CG1-CD1 4.37Å; V858-L862 WeakPolarHBondContact O-CG 3.22Å; V858-L862 PolarHBondContact O-N 3.11Å; V858-L862 VanDerWaalsContact O-N 3.07Å; A859-L862 PolarHBondContact O-N 2.84Å; L862-R864 PolarHBondContact O-N 3.33Å; L862-G865 PolarHBondContact O-N 3.47Å; L862-V868 HydrophobicContact CD2-CG2 3.87Å; L862-V868 HydrophobicContact CG-CG2 3.85Å
863	K	78.5	Confident	80.5	Confident	85 Å²	85	66.6 Å²	66.6	37%	0.37	37%	0.368	S	S	.	.	H	α-helix	trans	-61	-31.6	174.2	-75.8	169.3	67.5	-176.8	0	112.9	E847 L850 Y851 A859 D860 Q861 G865	E847-K863 WeakPolarHBondContact OE1-CE 3.35Å; E847-K863 IonicContact OE1-NZ 3.19Å; E847-K863 PolarHBondContact OE1-NZ 2.57Å; E847-K863 IonicContact OE2-NZ 2.79Å; E847-K863 PolarHBondContact OE2-NZ 2.78Å; L850-K863 HydrophobicContact CD2-CD 4.11Å; L850-K863 HydrophobicContact CD2-CG 3.9Å; Y851-K863 PolarHBondContact OH-NZ 2.87Å; A859-K863 VanDerWaalsContact O-CG 3.31Å; A859-K863 WeakPolarHBondContact O-CG 3.24Å; A859-K863 PolarHBondContact O-N 3.05Å; D860-K863 PolarHBondContact O-N 3.34Å; D860-K863 IonicContact OD1-NZ 3.46Å; Q861-K863 VanDerWaalsContact C-N 3.34Å; Q861-K863 PolarHBondContact O-N 2.85Å; K863-G865 VanDerWaalsContact C-N 3.26Å
864	R	79.6	Confident	80.9	Confident	148 Å²	148	67.2 Å²	67.2	56%	0.558	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.6	174.6	-68.1	-170.5	-60.7	-94.1	-4.4	113.6	D860 Q861 L862 E866	D860-R864 WeakPolarHBondContact O-CG 3.43Å; D860-R864 PolarHBondContact O-N 2.95Å; Q861-R864 PolarHBondContact O-N 3.47Å; Q861-R864 VanDerWaalsContact O-N 3.13Å; L862-R864 PolarHBondContact O-N 3.33Å; R864-E866 VanDerWaalsContact C-N 3.25Å; R864-E866 HydrophobicContact CB-CG 4.09Å; R864-E866 IonicContact CZ-OE1 2.75Å; R864-E866 IonicContact CZ-OE2 3.4Å; R864-E866 IonicContact NE-OE1 2.82Å; R864-E866 PolarHBondContact NE-OE1 3.42Å; R864-E866 IonicContact NE-OE2 3.52Å; R864-E866 PolarHBondContact NE-OE2 2.83Å; R864-E866 IonicContact NH2-OE1 3.64Å; R864-E866 IonicContact NH2-OE2 2.78Å; R864-E866 PolarHBondContact NH2-OE2 3.46Å
865	G	74.4	Confident	81.3	Confident	68 Å²	68	69.5 Å²	69.5	70%	0.701	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	16.3	-174.7	0	0	0	0	0	113.5	Q861 L862 K863	Q861-G865 PolarHBondContact O-N 2.77Å; L862-G865 PolarHBondContact O-N 3.47Å; K863-G865 VanDerWaalsContact C-N 3.26Å
866	E	77.4	Confident	81.8	Confident	88 Å²	88	69 Å²	69	41%	0.411	39%	0.385	S	S	.	.			trans	-80.4	143.9	177.2	-65.2	164.2	-171.5	0	0	110	Q861 R864	Q861-E866 HydrophobicContact CB-CB 4.3Å; Q861-E866 WeakPolarHBondContact O-CB 3.47Å; Q861-E866 PolarHBondContact O-N 2.84Å; R864-E866 VanDerWaalsContact C-N 3.25Å; R864-E866 HydrophobicContact CB-CG 4.09Å; R864-E866 IonicContact CZ-OE1 2.75Å; R864-E866 IonicContact CZ-OE2 3.4Å; R864-E866 IonicContact NE-OE1 2.82Å; R864-E866 PolarHBondContact NE-OE1 3.42Å; R864-E866 IonicContact NE-OE2 3.52Å; R864-E866 PolarHBondContact NE-OE2 2.83Å; R864-E866 IonicContact NH2-OE1 3.64Å; R864-E866 IonicContact NH2-OE2 2.78Å; R864-E866 PolarHBondContact NH2-OE2 3.46Å
867	T	72	Confident	82.4	Confident	119 Å²	119	63.5 Å²	63.5	73%	0.73	36%	0.36	S	S	*	.			trans	-81.9	127.5	173.4	55.9	0	0	0	0	109.8	Q869	T867-Q869 PolarHBondContact O-N 2.79Å
868	V	73.4	Confident	83.1	Confident	29 Å²	29	61.1 Å²	61.1	18%	0.176	34%	0.343	C	S	.	.			trans	-80.3	112	-179.8	-176.6	0	0	0	0	108.9	V858 Q861 L862 V985	V858-V868 HydrophobicContact CG1-CG1 4.05Å; V858-V868 HydrophobicContact CG1-CG2 3.85Å; V858-V868 HydrophobicContact CG2-CG1 4.45Å; Q861-V868 HydrophobicContact CB-CG2 4.25Å; L862-V868 HydrophobicContact CD2-CG2 3.87Å; L862-V868 HydrophobicContact CG-CG2 3.85Å; V868-V985 HydrophobicContact CB-CB 4.39Å; V868-V985 HydrophobicContact CB-CG2 4.09Å; V868-V985 HydrophobicContact CG1-CB 4.46Å; V868-V985 HydrophobicContact CG1-CG2 3.85Å; V868-V985 HydrophobicContact CG2-CG2 4.4Å
869	Q	76.9	Confident	83.7	Confident	163 Å²	163	60.9 Å²	60.9	76%	0.762	34%	0.341	S	S	*	.			trans	-83.2	151.6	176.3	-64	-170.6	-8.8	0	0	111.2	T867	T867-Q869 PolarHBondContact O-N 2.79Å
870	A	82.6	Confident	84.2	Confident	73 Å²	73	61.9 Å²	61.9	60%	0.603	35%	0.346	S	S	*	.			trans	-70.5	132.2	174.1	0	0	0	0	0	110.4	A983	A870-A983 CarbonylContact C-O 3.56Å; A870-A983 WeakPolarHBondContact CA-O 3.35Å
871	E	86.4	Confident	84.5	Confident	85 Å²	85	59.4 Å²	59.4	40%	0.397	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	142.2	178.7	-173.1	-178.7	165.4	0	0	110.3	F873 R937 C982 A983	E871-F873 HydrophobicContact CB-CE2 3.81Å; E871-F873 HydrophobicContact CB-CZ 4.11Å; E871-F873 HydrophobicContact CG-CE2 3.99Å; E871-F873 HydrophobicContact CG-CZ 4.02Å; E871-R937 IonicContact OE1-CZ 3.29Å; E871-R937 IonicContact OE1-NE 2.75Å; E871-R937 PolarHBondContact OE1-NE 2.9Å; E871-R937 IonicContact OE1-NH2 3.35Å; E871-R937 PolarHBondContact OE1-NH2 2.99Å; E871-C982 CarbonylContact O-C 3.54Å; E871-C982 VanDerWaalsContact O-CA 3.32Å; E871-C982 WeakPolarHBondContact O-CA 3.4Å; E871-C982 PolarHBondContact O-SG 3.38Å; E871-C982 VanDerWaalsContact O-SG 3.39Å; E871-A983 PolarHBondContact N-O 2.79Å; E871-A983 PolarHBondContact O-N 2.89Å
872	A	87.8	Confident	85.1	Confident	64 Å²	64	58 Å²	58	53%	0.529	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.8	172.8	0	0	0	0	0	110.8	R937	A872-R937 PolarHBondContact O-NH2 2.8Å
873	F	90	Very high	85.6	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.018	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	126.9	179.3	-63.7	-93.8	0	0	0	110	E871 V876 L934 R937 T980 V981 A983	E871-F873 HydrophobicContact CB-CE2 3.81Å; E871-F873 HydrophobicContact CB-CZ 4.11Å; E871-F873 HydrophobicContact CG-CE2 3.99Å; E871-F873 HydrophobicContact CG-CZ 4.02Å; F873-V876 HydrophobicContact CB-CG1 3.79Å; F873-V876 HydrophobicContact CG-CG1 4.4Å; F873-L934 HydrophobicContact CD1-CB 3.96Å; F873-L934 HydrophobicContact CD2-CB 4.34Å; F873-L934 HydrophobicContact CD2-CD2 4.42Å; F873-L934 HydrophobicContact CE1-CB 3.8Å; F873-L934 HydrophobicContact CE2-CB 4.2Å; F873-L934 HydrophobicContact CG-CB 4.24Å; F873-L934 HydrophobicContact CZ-CB 3.94Å; F873-R937 HydrophobicContact CD1-CG 4.02Å; F873-R937 HydrophobicContact CE1-CG 4.07Å; F873-T980 WeakPolarHBondContact O-CA 3.29Å; F873-V981 HydrophobicContact CB-CG1 4.14Å; F873-V981 HydrophobicContact CD2-CG1 4.44Å; F873-V981 PolarHBondContact N-O 3.36Å; F873-V981 PolarHBondContact O-N 3.02Å; F873-A983 HydrophobicContact CD2-CB 4.23Å; F873-A983 HydrophobicContact CE2-CB 3.89Å
874	D	87.1	Confident	86.1	Confident	117 Å²	117	52.5 Å²	52.5	63%	0.626	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	-29.5	-171.9	-55.2	-62.2	0	0	0	113.2	R937 T980	D874-R937 IonicContact OD2-NH1 3.34Å; D874-R937 PolarHBondContact OD2-NH1 3.37Å; D874-T980 WeakPolarHBondContact O-CG2 3.37Å
875	S	88.8	Confident	86.4	Confident	50 Å²	50	47.6 Å²	47.6	35%	0.35	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	118.8	179.5	-178.5	0	0	0	0	110.1	H942	S875-H942 PolarHBondContact O-CD2 3.02Å; S875-H942 PolarHBondContact OG-CE1 2.91Å; S875-H942 PolarHBondContact OG-NE2 2.89Å
876	V	93.9	Very high	87	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	157.8	172.1	-60.8	0	0	0	0	109.3	F873 I878 V931 S932 L934 S978 G979 V981	F873-V876 HydrophobicContact CB-CG1 3.79Å; F873-V876 HydrophobicContact CG-CG1 4.4Å; V876-I878 HydrophobicContact CG2-CD1 4.48Å; V876-I878 HydrophobicContact CG2-CG1 4.18Å; V876-V931 HydrophobicContact CB-CG2 4.11Å; V876-V931 HydrophobicContact CG2-CG2 4.31Å; V876-S932 WeakPolarHBondContact CB-O 3.37Å; V876-L934 HydrophobicContact CG1-CB 4.42Å; V876-L934 HydrophobicContact CG1-CD2 4.11Å; V876-L934 HydrophobicContact CG1-CG 4.43Å; V876-S978 CarbonylContact O-C 3.58Å; V876-S978 WeakPolarHBondContact O-CA 3.37Å; V876-G979 WeakPolarHBondContact CG2-O 3.34Å; V876-G979 PolarHBondContact N-O 3.36Å; V876-G979 PolarHBondContact O-N 2.71Å; V876-V981 HydrophobicContact CB-CG1 4.34Å; V876-V981 HydrophobicContact CG1-CG1 3.95Å; V876-V981 HydrophobicContact CG2-CB 3.91Å; V876-V981 HydrophobicContact CG2-CG1 3.45Å; V876-V981 VanDerWaalsContact CG2-CG1 3.45Å
877	T	94.8	Very high	87.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.6	168.7	-65.1	0	0	0	0	109.5	V931 S932 H942 G943 V946 I976 S978	T877-V931 WeakPolarHBondContact O-CA 3.4Å; T877-S932 PolarHBondContact N-O 3.21Å; T877-S932 PolarHBondContact O-N 2.86Å; T877-H942 PolarHBondContact N-ND1 2.78Å; T877-H942 PolarHBondContact OG1-ND1 3.24Å; T877-G943 WeakPolarHBondContact OG1-CA 3.48Å; T877-G943 PolarHBondContact OG1-N 2.86Å; T877-V946 HydrophobicContact CG2-CB 3.74Å; T877-V946 HydrophobicContact CG2-CG1 3.76Å; T877-V946 HydrophobicContact CG2-CG2 3.98Å; T877-I976 HydrophobicContact CG2-CG2 3.31Å; T877-S978 PolarHBondContact OG1-OG 3.2Å
878	I	94.3	Very high	88.1	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.6	179.2	-53.4	-179.1	0	0	0	109.2	V876 F880 M929 V931 I976 H977 L995 T999 V1000 A1003	V876-I878 HydrophobicContact CG2-CD1 4.48Å; V876-I878 HydrophobicContact CG2-CG1 4.18Å; I878-F880 HydrophobicContact CG2-CD2 3.72Å; I878-F880 HydrophobicContact CG2-CE2 3.53Å; I878-M929 HydrophobicContact CG2-CE 3.9Å; I878-M929 HydrophobicContact CG2-CG 4.48Å; I878-V931 HydrophobicContact CG1-CG2 4.03Å; I878-I976 WeakPolarHBondContact O-CA 3.43Å; I878-H977 PolarHBondContact N-O 3.16Å; I878-H977 PolarHBondContact O-N 2.54Å; I878-H977 VanDerWaalsContact O-N 3.16Å; I878-L995 HydrophobicContact CD1-CD2 4.29Å; I878-T999 HydrophobicContact CD1-CG2 3.8Å; I878-T999 HydrophobicContact CG1-CG2 4.25Å; I878-V1000 HydrophobicContact CD1-CB 4.41Å; I878-V1000 HydrophobicContact CD1-CG2 3.78Å; I878-A1003 HydrophobicContact CB-CB 3.96Å; I878-A1003 HydrophobicContact CG2-CB 3.99Å
879	Y	94.2	Very high	88.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	132.4	171.7	172.6	-85.2	0	0	0	109.8	S881 Y928 M929 V930 V946 M949 S950 L953 I974 I976	Y879-S881 WeakPolarHBondContact CE1-OG 3.46Å; Y879-S881 VanDerWaalsContact OH-CB 3.24Å; Y879-S881 WeakPolarHBondContact OH-CB 3.44Å; Y879-S881 PolarHBondContact OH-OG 3.01Å; Y879-Y928 HydrophobicContact CE1-CD1 4.15Å; Y879-M929 WeakPolarHBondContact O-CA 3.34Å; Y879-V930 WeakPolarHBondContact CB-O 3.41Å; Y879-V930 HydrophobicContact CD1-CB 4.19Å; Y879-V930 HydrophobicContact CD1-CG2 4.32Å; Y879-V930 PolarHBondContact N-O 3.47Å; Y879-V930 PolarHBondContact O-N 2.81Å; Y879-V930 VanDerWaalsContact O-N 3.09Å; Y879-V946 HydrophobicContact CD2-CG1 4.39Å; Y879-M949 HydrophobicContact CD1-CE 4.02Å; Y879-M949 HydrophobicContact CD2-CE 3.45Å; Y879-M949 VanDerWaalsContact CD2-CE 3.45Å; Y879-M949 HydrophobicContact CE1-CE 4.44Å; Y879-M949 HydrophobicContact CE2-CE 3.89Å; Y879-M949 HydrophobicContact CG-CE 3.5Å; Y879-S950 WeakPolarHBondContact CD2-OG 3.37Å; Y879-S950 WeakPolarHBondContact CE2-OG 3.36Å; Y879-L953 HydrophobicContact CE1-CD1 4.35Å; Y879-L953 HydrophobicContact CE2-CD1 4.24Å; Y879-I974 HydrophobicContact CD2-CG2 3.71Å; Y879-I974 HydrophobicContact CE2-CB 4.26Å; Y879-I974 HydrophobicContact CE2-CD1 4.02Å; Y879-I974 HydrophobicContact CE2-CG1 4.01Å; Y879-I974 HydrophobicContact CE2-CG2 3.27Å; Y879-I976 HydrophobicContact CD2-CG1 4.43Å
880	F	93.1	Very high	89.1	Confident	22 Å²	22	37 Å²	37	10%	0.096	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	137.3	166.2	-87	-89.5	0	0	0	109.3	I878 M929 I974 G975 V1000 A1003 E1007	I878-F880 HydrophobicContact CG2-CD2 3.72Å; I878-F880 HydrophobicContact CG2-CE2 3.53Å; F880-M929 HydrophobicContact CD1-CB 4.45Å; F880-M929 HydrophobicContact CD1-CG 4.45Å; F880-M929 HydrophobicContact CE1-CB 4.14Å; F880-M929 HydrophobicContact CE1-CG 3.94Å; F880-M929 HydrophobicContact CE1-SD 3.94Å; F880-M929 HydrophobicContact CE2-CE 4.05Å; F880-M929 HydrophobicContact CE2-CG 4.09Å; F880-M929 HydrophobicContact CE2-SD 4.13Å; F880-M929 HydrophobicContact CZ-CB 4.45Å; F880-M929 HydrophobicContact CZ-CE 3.88Å; F880-M929 HydrophobicContact CZ-CG 3.75Å; F880-M929 HydrophobicContact CZ-SD 3.45Å; F880-M929 WeakPolarHBondContact CZ-SD 3.3Å; F880-I974 WeakPolarHBondContact O-CA 2.95Å; F880-G975 PolarHBondContact N-O 2.72Å; F880-G975 PolarHBondContact O-N 2.78Å; F880-V1000 HydrophobicContact CE2-CG1 4.04Å; F880-V1000 HydrophobicContact CZ-CG1 3.84Å; F880-A1003 HydrophobicContact CD2-CB 3.53Å; F880-A1003 HydrophobicContact CE2-CB 3.86Å; F880-E1007 HydrophobicContact CB-CB 3.73Å; F880-E1007 HydrophobicContact CB-CG 4.08Å
881	S	91.1	Very high	89.4	Confident	1 Å²	1	37.6 Å²	37.6	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	149.2	167.1	66.4	0	0	0	0	113.2	Y879 A927 Y928 R973	Y879-S881 WeakPolarHBondContact CE1-OG 3.46Å; Y879-S881 VanDerWaalsContact OH-CB 3.24Å; Y879-S881 WeakPolarHBondContact OH-CB 3.44Å; Y879-S881 PolarHBondContact OH-OG 3.01Å; S881-A927 CarbonylContact O-C 3.56Å; S881-A927 WeakPolarHBondContact O-CA 3.33Å; S881-Y928 PolarHBondContact N-O 2.9Å; S881-Y928 PolarHBondContact O-N 3.27Å; S881-Y928 WeakPolarHBondContact OG-CB 3.43Å; S881-R973 CarbonylContact C-O 3.56Å; S881-R973 WeakPolarHBondContact CA-O 3.4Å; S881-R973 VanDerWaalsContact CB-O 3.31Å; S881-R973 WeakPolarHBondContact CB-O 3.47Å
882	D	91.4	Very high	89.4	Confident	37 Å²	37	39.5 Å²	39.5	20%	0.198	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	151.8	179.1	-177.1	46.7	0	0	0	111.1	D926 R973 E1007	D882-D926 VanDerWaalsContact OD1-OD2 3.11Å; D882-R973 PolarHBondContact N-O 3.34Å; D882-R973 PolarHBondContact O-N 3.08Å; D882-E1007 VanDerWaalsContact CB-CD 3.44Å; D882-E1007 HydrophobicContact CB-CG 4.06Å; D882-E1007 WeakPolarHBondContact CB-OE1 3.04Å
883	I	89.4	Confident	89.4	Confident	4 Å²	4	37.1 Å²	37.1	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.4	178.6	-61.7	171.4	0	0	0	109.3	G885 F886 L902 L905 D926 L970 L972	I883-G885 PolarHBondContact O-N 3.1Å; I883-F886 HydrophobicContact CB-CB 3.91Å; I883-F886 HydrophobicContact CB-CD2 4.33Å; I883-F886 HydrophobicContact CB-CG 4.45Å; I883-F886 HydrophobicContact CD1-CD2 4.04Å; I883-F886 HydrophobicContact CD1-CE2 4.48Å; I883-F886 HydrophobicContact CG2-CB 3.94Å; I883-F886 HydrophobicContact CG2-CD2 4.23Å; I883-F886 WeakPolarHBondContact O-CB 3.36Å; I883-F886 PolarHBondContact O-N 2.99Å; I883-L902 HydrophobicContact CD1-CD2 4.37Å; I883-L905 HydrophobicContact CD1-CD2 3.57Å; I883-L905 HydrophobicContact CG1-CD2 4.31Å; I883-D926 HydrophobicContact CD1-CB 4.34Å; I883-L970 HydrophobicContact CD1-CD1 4.48Å; I883-L970 HydrophobicContact CG2-CD1 3.55Å; I883-L970 HydrophobicContact CG2-CG 4.35Å; I883-L972 HydrophobicContact CG1-CD1 4.47Å
884	V	88.9	Confident	89.4	Confident	30 Å²	30	40.3 Å²	40.3	18%	0.182	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	111.8	-176.2	-177.5	0	0	0	0	111	R971 R973 A1012	V884-R971 HydrophobicContact CB-CB 4.18Å; V884-R971 PolarHBondContact N-O 3.43Å; V884-R973 HydrophobicContact CG2-CB 3.8Å; V884-A1012 HydrophobicContact CG2-CB 4.07Å
885	G	85.5	Confident	89.5	Confident	45 Å²	45	40 Å²	40	46%	0.464	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.4	15.4	179.9	0	0	0	0	0	114	I883 T887 A888 L889	I883-G885 PolarHBondContact O-N 3.1Å; G885-T887 VanDerWaalsContact C-N 3.31Å; G885-T887 PolarHBondContact O-N 3.11Å; G885-A888 PolarHBondContact O-N 3.37Å; G885-L889 PolarHBondContact O-N 3.15Å
886	F	87.7	Confident	89.5	Confident	24 Å²	24	43.9 Å²	43.9	11%	0.105	28%	0.277	C	S	.	.	H	α-helix	trans	-56.9	-40.6	178.3	-176.8	-103.3	0	0	0	113.5	I883 A888 L889 S890 V898 L902 D926	I883-F886 HydrophobicContact CB-CB 3.91Å; I883-F886 HydrophobicContact CB-CD2 4.33Å; I883-F886 HydrophobicContact CB-CG 4.45Å; I883-F886 HydrophobicContact CD1-CD2 4.04Å; I883-F886 HydrophobicContact CD1-CE2 4.48Å; I883-F886 HydrophobicContact CG2-CB 3.94Å; I883-F886 HydrophobicContact CG2-CD2 4.23Å; I883-F886 WeakPolarHBondContact O-CB 3.36Å; I883-F886 PolarHBondContact O-N 2.99Å; F886-A888 VanDerWaalsContact C-N 3.29Å; F886-A888 PolarHBondContact O-N 2.9Å; F886-L889 CarbonylContact O-C 3.54Å; F886-L889 WeakPolarHBondContact O-CB 3.49Å; F886-L889 PolarHBondContact O-N 2.76Å; F886-L889 VanDerWaalsContact O-N 3.08Å; F886-S890 WeakPolarHBondContact O-CB 3.27Å; F886-S890 PolarHBondContact O-N 3.5Å; F886-S890 PolarHBondContact O-OG 3.3Å; F886-V898 HydrophobicContact CE2-CG1 4.27Å; F886-V898 HydrophobicContact CZ-CG1 3.83Å; F886-L902 HydrophobicContact CE2-CD2 3.88Å; F886-L902 HydrophobicContact CE2-CG 4.35Å; F886-L902 HydrophobicContact CZ-CD1 4.15Å; F886-L902 HydrophobicContact CZ-CD2 4.14Å; F886-L902 HydrophobicContact CZ-CG 4.39Å; F886-D926 HydrophobicContact CB-CB 4.24Å; F886-D926 WeakPolarHBondContact CB-OD2 3.22Å; F886-D926 HydrophobicContact CD1-CB 3.49Å; F886-D926 VanDerWaalsContact CD1-CB 3.49Å; F886-D926 VanDerWaalsContact CD1-CG 3.43Å; F886-D926 WeakPolarHBondContact CD1-OD2 3.31Å; F886-D926 HydrophobicContact CD2-CB 4.02Å; F886-D926 HydrophobicContact CE1-CB 3.76Å; F886-D926 HydrophobicContact CE2-CB 4.25Å; F886-D926 HydrophobicContact CG-CB 3.64Å; F886-D926 WeakPolarHBondContact CG-OD2 3.33Å; F886-D926 HydrophobicContact CZ-CB 4.13Å
887	T	86.2	Confident	89.3	Confident	113 Å²	113	47.5 Å²	47.5	69%	0.693	29%	0.293	S	S	*	.	H	α-helix	trans	-56.8	-44.3	178.5	-44.9	0	0	0	0	111.6	G885 S890 A891	G885-T887 VanDerWaalsContact C-N 3.31Å; G885-T887 PolarHBondContact O-N 3.11Å; T887-S890 PolarHBondContact O-N 3.13Å; T887-S890 PolarHBondContact O-OG 2.96Å; T887-A891 WeakPolarHBondContact O-CB 3.25Å; T887-A891 PolarHBondContact O-N 3.39Å
888	A	85.4	Confident	88.9	Confident	56 Å²	56	48.4 Å²	48.4	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-67	-42.4	175.4	0	0	0	0	0	111.7	G885 F886 S890 A891 E892	G885-A888 PolarHBondContact O-N 3.37Å; F886-A888 VanDerWaalsContact C-N 3.29Å; F886-A888 PolarHBondContact O-N 2.9Å; A888-S890 VanDerWaalsContact C-N 3.34Å; A888-S890 PolarHBondContact O-N 3.35Å; A888-A891 PolarHBondContact O-N 2.84Å; A888-E892 WeakPolarHBondContact O-CG 3.4Å; A888-E892 PolarHBondContact O-N 3.03Å
889	L	85.2	Confident	88.6	Confident	9 Å²	9	52 Å²	52	5%	0.047	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-42.6	177.1	-169.4	152.4	0	0	0	112	G885 F886 E892 S893 L901 I962	G885-L889 PolarHBondContact O-N 3.15Å; F886-L889 CarbonylContact O-C 3.54Å; F886-L889 WeakPolarHBondContact O-CB 3.49Å; F886-L889 PolarHBondContact O-N 2.76Å; F886-L889 VanDerWaalsContact O-N 3.08Å; L889-E892 PolarHBondContact O-N 3.07Å; L889-S893 WeakPolarHBondContact O-CB 3.43Å; L889-S893 PolarHBondContact O-N 3.02Å; L889-S893 PolarHBondContact O-OG 3.42Å; L889-L901 HydrophobicContact CD1-CD2 4.39Å; L889-L901 HydrophobicContact CD2-CD2 3.49Å; L889-L901 VanDerWaalsContact CD2-CD2 3.49Å; L889-I962 HydrophobicContact CD1-CD1 4.04Å
890	S	87.9	Confident	88.2	Confident	43 Å²	43	54.6 Å²	54.6	30%	0.301	34%	0.337	S	S	.	.	H	α-helix	trans	-69.5	-30.7	177.8	71.9	0	0	0	0	113	F886 T887 A888 E892	F886-S890 WeakPolarHBondContact O-CB 3.27Å; F886-S890 PolarHBondContact O-N 3.5Å; F886-S890 PolarHBondContact O-OG 3.3Å; T887-S890 PolarHBondContact O-N 3.13Å; T887-S890 PolarHBondContact O-OG 2.96Å; A888-S890 VanDerWaalsContact C-N 3.34Å; A888-S890 PolarHBondContact O-N 3.35Å; S890-E892 VanDerWaalsContact C-N 3.34Å
891	A	87.6	Confident	88	Confident	86 Å²	86	53.8 Å²	53.8	71%	0.711	33%	0.333	S	S	*	.	H	α-helix	trans	-72.8	-28.5	177.4	0	0	0	0	0	112.4	T887 A888	T887-A891 WeakPolarHBondContact O-CB 3.25Å; T887-A891 PolarHBondContact O-N 3.39Å; A888-A891 PolarHBondContact O-N 2.84Å
892	E	87.2	Confident	87.8	Confident	125 Å²	125	55.1 Å²	55.1	58%	0.584	34%	0.34	S	S	*	.	S	Bend	trans	-100.5	-1.3	-178.6	-58.4	175.3	-175	0	0	114.3	A888 L889 S890 R965	A888-E892 WeakPolarHBondContact O-CG 3.4Å; A888-E892 PolarHBondContact O-N 3.03Å; L889-E892 PolarHBondContact O-N 3.07Å; S890-E892 VanDerWaalsContact C-N 3.34Å; E892-R965 PolarHBondContact O-NH2 3.09Å; E892-R965 VanDerWaalsContact O-NH2 3.16Å; E892-R965 IonicContact OE2-CZ 3.29Å; E892-R965 IonicContact OE2-NH1 3.83Å; E892-R965 PolarHBondContact OE2-NH1 3.39Å; E892-R965 IonicContact OE2-NH2 2.86Å; E892-R965 PolarHBondContact OE2-NH2 3.48Å
893	S	87.6	Confident	87.7	Confident	14 Å²	14	57.9 Å²	57.9	10%	0.098	36%	0.355	C	S	.	.	S	Bend	trans	-115	152.8	178.8	-72.3	0	0	0	0	110.9	L889 H964	L889-S893 WeakPolarHBondContact O-CB 3.43Å; L889-S893 PolarHBondContact O-N 3.02Å; L889-S893 PolarHBondContact O-OG 3.42Å; S893-H964 PolarHBondContact OG-CD2 2.98Å; S893-H964 PolarHBondContact OG-NE2 3.42Å
894	T	90.9	Very high	87.6	Confident	71 Å²	71	59.5 Å²	59.5	44%	0.436	36%	0.364	S	S	.	.			trans	-71.4	151.9	176.4	70.1	0	0	0	0	110.8	L896 Q897 V898	T894-L896 PolarHBondContact O-N 3.42Å; T894-L896 VanDerWaalsContact O-N 3.16Å; T894-Q897 VanDerWaalsContact N-OE1 3.11Å; T894-Q897 WeakPolarHBondContact O-CB 3.3Å; T894-Q897 PolarHBondContact O-N 3.46Å; T894-Q897 VanDerWaalsContact OG1-CD 3.31Å; T894-Q897 VanDerWaalsContact OG1-CG 3.23Å; T894-Q897 WeakPolarHBondContact OG1-CG 3.42Å; T894-Q897 PolarHBondContact OG1-N 3.44Å; T894-Q897 PolarHBondContact OG1-OE1 3.42Å; T894-V898 WeakPolarHBondContact O-CG2 3.37Å; T894-V898 PolarHBondContact O-N 3.4Å
895	P	88.6	Confident	87.6	Confident	110 Å²	110	58.2 Å²	58.2	71%	0.714	36%	0.356	S	S	*	.	H	α-helix	trans	-53.6	-38.9	178.9	-28.8	35.4	0	0	0	113.4	V898 V899	P895-V898 PolarHBondContact O-N 2.89Å; P895-V899 WeakPolarHBondContact O-CG2 3.32Å; P895-V899 PolarHBondContact O-N 3.12Å
896	L	87.7	Confident	87.7	Confident	132 Å²	132	57.4 Å²	57.4	69%	0.691	34%	0.339	S	S	*	.	H	α-helix	trans	-64.3	-42.7	176.7	-172.7	64.2	0	0	0	111.8	T894 V898 V899 T900	T894-L896 PolarHBondContact O-N 3.42Å; T894-L896 VanDerWaalsContact O-N 3.16Å; L896-V898 VanDerWaalsContact C-N 3.33Å; L896-V898 PolarHBondContact O-N 3.45Å; L896-V899 PolarHBondContact O-N 3.05Å; L896-T900 PolarHBondContact O-N 3.33Å; L896-T900 PolarHBondContact O-OG1 3.05Å
897	Q	89.9	Confident	87.8	Confident	75 Å²	75	60.8 Å²	60.8	35%	0.35	36%	0.362	S	S	.	.	H	α-helix	trans	-64.9	-35.9	176.6	-72.8	168.6	-15.7	0	0	112.4	T894 T900 L901 H964	T894-Q897 VanDerWaalsContact N-OE1 3.11Å; T894-Q897 WeakPolarHBondContact O-CB 3.3Å; T894-Q897 PolarHBondContact O-N 3.46Å; T894-Q897 VanDerWaalsContact OG1-CD 3.31Å; T894-Q897 VanDerWaalsContact OG1-CG 3.23Å; T894-Q897 WeakPolarHBondContact OG1-CG 3.42Å; T894-Q897 PolarHBondContact OG1-N 3.44Å; T894-Q897 PolarHBondContact OG1-OE1 3.42Å; Q897-T900 PolarHBondContact O-N 3.3Å; Q897-L901 WeakPolarHBondContact O-CB 3.26Å; Q897-L901 PolarHBondContact O-N 3.07Å; Q897-H964 HydrophobicContact CG-CB 4.44Å
898	V	87.8	Confident	87.9	Confident	19 Å²	19	57.3 Å²	57.3	12%	0.115	34%	0.341	C	S	.	.	H	α-helix	trans	-66.4	-43.3	175.3	177	0	0	0	0	110.6	F886 T894 P895 L896 L901 L902	F886-V898 HydrophobicContact CE2-CG1 4.27Å; F886-V898 HydrophobicContact CZ-CG1 3.83Å; T894-V898 WeakPolarHBondContact O-CG2 3.37Å; T894-V898 PolarHBondContact O-N 3.4Å; P895-V898 PolarHBondContact O-N 2.89Å; L896-V898 VanDerWaalsContact C-N 3.33Å; L896-V898 PolarHBondContact O-N 3.45Å; V898-L901 PolarHBondContact O-N 3.16Å; V898-L902 HydrophobicContact CG1-CD1 4.19Å; V898-L902 HydrophobicContact CG1-CG 4.48Å; V898-L902 WeakPolarHBondContact O-CG 3.46Å; V898-L902 PolarHBondContact O-N 3.06Å
899	V	87.3	Confident	88.2	Confident	75 Å²	75	54.8 Å²	54.8	46%	0.455	32%	0.32	S	S	.	.	H	α-helix	trans	-62.3	-45	175.4	174.3	0	0	0	0	111	P895 L896 L901 L902 N903	P895-V899 WeakPolarHBondContact O-CG2 3.32Å; P895-V899 PolarHBondContact O-N 3.12Å; L896-V899 PolarHBondContact O-N 3.05Å; V899-L901 VanDerWaalsContact C-N 3.33Å; V899-L901 PolarHBondContact O-N 2.72Å; V899-L902 PolarHBondContact O-N 3.48Å; V899-N903 WeakPolarHBondContact O-CB 3.45Å; V899-N903 PolarHBondContact O-N 2.99Å
900	T	86.8	Confident	88.4	Confident	55 Å²	55	56.6 Å²	56.6	34%	0.337	33%	0.33	S	S	.	.	H	α-helix	trans	-61.2	-41.8	176.8	-52.5	0	0	0	0	111.9	L896 Q897 N903 D904	L896-T900 PolarHBondContact O-N 3.33Å; L896-T900 PolarHBondContact O-OG1 3.05Å; Q897-T900 PolarHBondContact O-N 3.3Å; T900-N903 PolarHBondContact O-N 3.28Å; T900-D904 WeakPolarHBondContact O-CB 3.3Å; T900-D904 PolarHBondContact O-N 3.07Å
901	L	87.4	Confident	88.5	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	34%	0.339	C	S	.	.	H	α-helix	trans	-61.8	-48.8	176.3	171	61.5	0	0	0	112.1	L889 Q897 V898 V899 N903 D904 L905 F960 I962	L889-L901 HydrophobicContact CD1-CD2 4.39Å; L889-L901 HydrophobicContact CD2-CD2 3.49Å; L889-L901 VanDerWaalsContact CD2-CD2 3.49Å; Q897-L901 WeakPolarHBondContact O-CB 3.26Å; Q897-L901 PolarHBondContact O-N 3.07Å; V898-L901 PolarHBondContact O-N 3.16Å; V899-L901 VanDerWaalsContact C-N 3.33Å; V899-L901 PolarHBondContact O-N 2.72Å; L901-N903 VanDerWaalsContact C-N 3.34Å; L901-D904 PolarHBondContact O-N 3.18Å; L901-L905 WeakPolarHBondContact O-CB 3.39Å; L901-L905 PolarHBondContact O-N 3.14Å; L901-F960 HydrophobicContact CD1-CE1 3.85Å; L901-F960 HydrophobicContact CD1-CZ 4.32Å; L901-I962 HydrophobicContact CD1-CB 4.48Å; L901-I962 HydrophobicContact CD1-CG1 3.99Å; L901-I962 HydrophobicContact CD1-CG2 4.14Å
902	L	88.4	Confident	88.6	Confident	30 Å²	30	54.7 Å²	54.7	16%	0.157	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-40.7	179.2	-71.1	176.5	0	0	0	111.4	I883 F886 V898 V899 L905 Y906	I883-L902 HydrophobicContact CD1-CD2 4.37Å; F886-L902 HydrophobicContact CE2-CD2 3.88Å; F886-L902 HydrophobicContact CE2-CG 4.35Å; F886-L902 HydrophobicContact CZ-CD1 4.15Å; F886-L902 HydrophobicContact CZ-CD2 4.14Å; F886-L902 HydrophobicContact CZ-CG 4.39Å; V898-L902 HydrophobicContact CG1-CD1 4.19Å; V898-L902 HydrophobicContact CG1-CG 4.48Å; V898-L902 WeakPolarHBondContact O-CG 3.46Å; V898-L902 PolarHBondContact O-N 3.06Å; V899-L902 PolarHBondContact O-N 3.48Å; L902-L905 PolarHBondContact O-N 3.34Å; L902-Y906 HydrophobicContact CB-CD2 4.25Å; L902-Y906 HydrophobicContact CB-CE2 4.03Å; L902-Y906 HydrophobicContact CD2-CE2 4.19Å; L902-Y906 VanDerWaalsContact O-CB 3.32Å; L902-Y906 WeakPolarHBondContact O-CB 3.46Å; L902-Y906 WeakPolarHBondContact O-CD2 3.38Å; L902-Y906 VanDerWaalsContact O-CG 3.25Å; L902-Y906 PolarHBondContact O-N 3.27Å
903	N	87.9	Confident	88.8	Confident	94 Å²	94	49.3 Å²	49.3	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-45.9	176.6	-75.5	-13.1	0	0	0	112.1	V899 T900 L901 L905 Y906 T907	V899-N903 WeakPolarHBondContact O-CB 3.45Å; V899-N903 PolarHBondContact O-N 2.99Å; T900-N903 PolarHBondContact O-N 3.28Å; L901-N903 VanDerWaalsContact C-N 3.34Å; N903-L905 VanDerWaalsContact C-N 3.31Å; N903-L905 PolarHBondContact O-N 3.02Å; N903-Y906 PolarHBondContact O-N 2.98Å; N903-T907 VanDerWaalsContact O-CB 3.26Å; N903-T907 WeakPolarHBondContact O-CB 3.35Å; N903-T907 PolarHBondContact O-N 3.42Å; N903-T907 PolarHBondContact O-OG1 2.91Å
904	D	88.2	Confident	88.8	Confident	39 Å²	39	54.9 Å²	54.9	21%	0.209	32%	0.316	C	S	.	.	H	α-helix	trans	-59.8	-43	176.2	-79.5	-19.5	0	0	0	111.1	T900 L901 C908 F960 R963	T900-D904 WeakPolarHBondContact O-CB 3.3Å; T900-D904 PolarHBondContact O-N 3.07Å; L901-D904 PolarHBondContact O-N 3.18Å; D904-C908 WeakPolarHBondContact O-CB 3.24Å; D904-C908 PolarHBondContact O-N 2.85Å; D904-C908 VanDerWaalsContact O-N 3.14Å; D904-F960 HydrophobicContact CB-CE2 4.15Å; D904-F960 HydrophobicContact CB-CZ 3.83Å; D904-R963 IonicContact OD1-CZ 3.05Å; D904-R963 IonicContact OD1-NE 2.87Å; D904-R963 IonicContact OD1-NH2 2.61Å; D904-R963 PolarHBondContact OD1-NH2 3.46Å; D904-R963 IonicContact OD2-CZ 3.57Å; D904-R963 IonicContact OD2-NE 3.16Å; D904-R963 PolarHBondContact OD2-NE 3.23Å; D904-R963 IonicContact OD2-NH2 2.7Å; D904-R963 PolarHBondContact OD2-NH2 3.34Å
905	L	88.3	Confident	88.8	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-67.5	-48.8	179.6	-175.7	67.3	0	0	0	111.8	I883 L901 L902 N903 T907 C908 F909 F960 L970	I883-L905 HydrophobicContact CD1-CD2 3.57Å; I883-L905 HydrophobicContact CG1-CD2 4.31Å; L901-L905 WeakPolarHBondContact O-CB 3.39Å; L901-L905 PolarHBondContact O-N 3.14Å; L902-L905 PolarHBondContact O-N 3.34Å; N903-L905 VanDerWaalsContact C-N 3.31Å; N903-L905 PolarHBondContact O-N 3.02Å; L905-T907 VanDerWaalsContact C-N 3.34Å; L905-T907 PolarHBondContact O-N 2.85Å; L905-C908 WeakPolarHBondContact O-CB 3.3Å; L905-C908 PolarHBondContact O-N 2.76Å; L905-F909 HydrophobicContact CD1-CD1 4.22Å; L905-F909 HydrophobicContact CD1-CE1 3.54Å; L905-F909 HydrophobicContact CD1-CE2 4.35Å; L905-F909 HydrophobicContact CD1-CZ 3.61Å; L905-F909 HydrophobicContact CD2-CE2 4.38Å; L905-F909 HydrophobicContact CD2-CZ 4.29Å; L905-F909 HydrophobicContact CG-CE1 4.1Å; L905-F909 HydrophobicContact CG-CE2 4.14Å; L905-F909 HydrophobicContact CG-CZ 3.91Å; L905-F909 WeakPolarHBondContact O-CD1 3.37Å; L905-F909 WeakPolarHBondContact O-CG 3.38Å; L905-F909 PolarHBondContact O-N 2.93Å; L905-F960 HydrophobicContact CB-CZ 4.16Å; L905-F960 HydrophobicContact CD1-CD1 4.47Å; L905-F960 HydrophobicContact CD1-CE1 4.39Å; L905-F960 HydrophobicContact CD1-CE2 4.46Å; L905-F960 HydrophobicContact CD1-CZ 4.38Å; L905-L970 HydrophobicContact CD1-CD2 3.56Å; L905-L970 HydrophobicContact CD2-CD2 3.86Å; L905-L970 HydrophobicContact CG-CD2 4.34Å
906	Y	88.8	Confident	88.9	Confident	28 Å²	28	54.7 Å²	54.7	11%	0.11	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-32.4	-179.5	-66.3	-34.3	0	0	0	112.2	L902 N903 C908 F909 D910 G925 Y928	L902-Y906 HydrophobicContact CB-CD2 4.25Å; L902-Y906 HydrophobicContact CB-CE2 4.03Å; L902-Y906 HydrophobicContact CD2-CE2 4.19Å; L902-Y906 VanDerWaalsContact O-CB 3.32Å; L902-Y906 WeakPolarHBondContact O-CB 3.46Å; L902-Y906 WeakPolarHBondContact O-CD2 3.38Å; L902-Y906 VanDerWaalsContact O-CG 3.25Å; L902-Y906 PolarHBondContact O-N 3.27Å; N903-Y906 PolarHBondContact O-N 2.98Å; Y906-C908 VanDerWaalsContact C-N 3.33Å; Y906-F909 HydrophobicContact CD1-CD2 4.44Å; Y906-F909 PolarHBondContact O-N 2.94Å; Y906-D910 WeakPolarHBondContact O-CB 3.43Å; Y906-D910 PolarHBondContact O-N 2.63Å; Y906-G925 PolarHBondContact OH-O 2.91Å; Y906-Y928 AromaticContact CD1-CD2 3.51Å; Y906-Y928 HydrophobicContact CD1-CD2 3.51Å; Y906-Y928 AromaticContact CD1-CE2 3.77Å; Y906-Y928 HydrophobicContact CD1-CE2 3.77Å; Y906-Y928 AromaticContact CE1-CD2 3.51Å; Y906-Y928 HydrophobicContact CE1-CD2 3.51Å; Y906-Y928 HydrophobicContact CE1-CE2 4.24Å; Y906-Y928 HydrophobicContact CE1-CG 4.32Å
907	T	88.8	Confident	89	Confident	94 Å²	94	52.4 Å²	52.4	58%	0.577	29%	0.293	S	S	*	.	H	α-helix	trans	-63.6	-41.7	171.9	-56.2	0	0	0	0	110.7	N903 L905 A911	N903-T907 VanDerWaalsContact O-CB 3.26Å; N903-T907 WeakPolarHBondContact O-CB 3.35Å; N903-T907 PolarHBondContact O-N 3.42Å; N903-T907 PolarHBondContact O-OG1 2.91Å; L905-T907 VanDerWaalsContact C-N 3.34Å; L905-T907 PolarHBondContact O-N 2.85Å; T907-A911 WeakPolarHBondContact O-CB 3.16Å; T907-A911 PolarHBondContact O-N 3.15Å; T907-A911 VanDerWaalsContact O-N 3.1Å
908	C	88.9	Confident	89	Confident	40 Å²	40	50.1 Å²	50.1	27%	0.27	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-41.3	175	-178.9	0	0	0	0	111.7	D904 L905 Y906 I912	D904-C908 WeakPolarHBondContact O-CB 3.24Å; D904-C908 PolarHBondContact O-N 2.85Å; D904-C908 VanDerWaalsContact O-N 3.14Å; L905-C908 WeakPolarHBondContact O-CB 3.3Å; L905-C908 PolarHBondContact O-N 2.76Å; Y906-C908 VanDerWaalsContact C-N 3.33Å; C908-I912 WeakPolarHBondContact O-CD1 3.22Å; C908-I912 WeakPolarHBondContact O-CG1 3.24Å; C908-I912 PolarHBondContact O-N 3.42Å
909	F	91.3	Very high	89	Confident	3 Å²	3	51.5 Å²	51.5	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-68.8	-45.1	177.9	-71.8	5.4	0	0	0	111.9	L905 Y906 A911 I912 I913 Y928 L953 V957 L972	L905-F909 HydrophobicContact CD1-CD1 4.22Å; L905-F909 HydrophobicContact CD1-CE1 3.54Å; L905-F909 HydrophobicContact CD1-CE2 4.35Å; L905-F909 HydrophobicContact CD1-CZ 3.61Å; L905-F909 HydrophobicContact CD2-CE2 4.38Å; L905-F909 HydrophobicContact CD2-CZ 4.29Å; L905-F909 HydrophobicContact CG-CE1 4.1Å; L905-F909 HydrophobicContact CG-CE2 4.14Å; L905-F909 HydrophobicContact CG-CZ 3.91Å; L905-F909 WeakPolarHBondContact O-CD1 3.37Å; L905-F909 WeakPolarHBondContact O-CG 3.38Å; L905-F909 PolarHBondContact O-N 2.93Å; Y906-F909 HydrophobicContact CD1-CD2 4.44Å; Y906-F909 PolarHBondContact O-N 2.94Å; F909-A911 VanDerWaalsContact C-N 3.3Å; F909-A911 PolarHBondContact O-N 3.1Å; F909-I912 WeakPolarHBondContact O-CA 3.38Å; F909-I912 WeakPolarHBondContact O-CB 3.1Å; F909-I912 PolarHBondContact O-N 2.7Å; F909-I913 WeakPolarHBondContact O-CG2 3.43Å; F909-I913 PolarHBondContact O-N 2.69Å; F909-Y928 HydrophobicContact CB-CE1 4.03Å; F909-Y928 HydrophobicContact CB-CE2 4.25Å; F909-Y928 AromaticContact CD2-CD1 3.84Å; F909-Y928 HydrophobicContact CD2-CD1 3.84Å; F909-Y928 HydrophobicContact CD2-CD2 4.14Å; F909-Y928 HydrophobicContact CD2-CE1 4.02Å; F909-Y928 HydrophobicContact CD2-CE2 4.29Å; F909-Y928 AromaticContact CD2-CG 3.9Å; F909-Y928 HydrophobicContact CD2-CG 3.9Å; F909-Y928 HydrophobicContact CE2-CG 4.46Å; F909-Y928 HydrophobicContact CG-CE1 4.5Å; F909-L953 HydrophobicContact CB-CD2 3.92Å; F909-L953 HydrophobicContact CD1-CD2 3.48Å; F909-L953 VanDerWaalsContact CD1-CD2 3.48Å; F909-L953 HydrophobicContact CD2-CD2 4.34Å; F909-L953 HydrophobicContact CE1-CD2 4.01Å; F909-L953 HydrophobicContact CG-CD2 3.66Å; F909-V957 HydrophobicContact CE1-CG2 3.66Å; F909-V957 HydrophobicContact CZ-CG2 3.79Å; F909-L972 HydrophobicContact CE2-CD1 4.49Å; F909-L972 HydrophobicContact CZ-CD1 4.32Å; F909-L972 HydrophobicContact CZ-CD2 4.03Å
910	D	89.3	Confident	89.1	Confident	48 Å²	48	51.2 Å²	51.2	26%	0.257	28%	0.28	S	S	.	.	H	α-helix	trans	-57.3	-44	179.1	-70.9	-9	0	0	0	110.4	Y906 I912 I913 D914 K920 Y928	Y906-D910 WeakPolarHBondContact O-CB 3.43Å; Y906-D910 PolarHBondContact O-N 2.63Å; D910-I912 VanDerWaalsContact C-N 3.27Å; D910-I912 PolarHBondContact O-N 3.38Å; D910-I913 WeakPolarHBondContact O-CG1 3.45Å; D910-I913 PolarHBondContact O-N 2.78Å; D910-D914 PolarHBondContact O-N 3.36Å; D910-K920 IonicContact OD1-NZ 3.65Å; D910-K920 PolarHBondContact OD1-NZ 3.13Å; D910-K920 IonicContact OD2-NZ 2.9Å; D910-K920 PolarHBondContact OD2-NZ 2.92Å; D910-Y928 PolarHBondContact OD1-OH 3.46Å
911	A	89.1	Confident	89	Confident	60 Å²	60	49 Å²	49	50%	0.496	27%	0.267	S	S	.	.	H	α-helix	trans	-63.6	-28.4	175	0	0	0	0	0	114.3	T907 F909 N915	T907-A911 WeakPolarHBondContact O-CB 3.16Å; T907-A911 PolarHBondContact O-N 3.15Å; T907-A911 VanDerWaalsContact O-N 3.1Å; F909-A911 VanDerWaalsContact C-N 3.3Å; F909-A911 PolarHBondContact O-N 3.1Å; A911-N915 PolarHBondContact O-ND2 3.5Å; A911-N915 VanDerWaalsContact O-ND2 3.08Å
912	I	90.1	Very high	88.3	Confident	29 Å²	29	52.9 Å²	52.9	15%	0.149	29%	0.285	C	S	.	.	H	α-helix	trans	-80	-45.2	177.9	-68.5	166	0	0	0	110	C908 F909 D910 D914 N915 F916 A952 L953 A956	C908-I912 WeakPolarHBondContact O-CD1 3.22Å; C908-I912 WeakPolarHBondContact O-CG1 3.24Å; C908-I912 PolarHBondContact O-N 3.42Å; F909-I912 WeakPolarHBondContact O-CA 3.38Å; F909-I912 WeakPolarHBondContact O-CB 3.1Å; F909-I912 PolarHBondContact O-N 2.7Å; D910-I912 VanDerWaalsContact C-N 3.27Å; D910-I912 PolarHBondContact O-N 3.38Å; I912-D914 VanDerWaalsContact C-N 3.29Å; I912-D914 PolarHBondContact O-N 3.43Å; I912-N915 PolarHBondContact O-N 3.06Å; I912-N915 PolarHBondContact O-ND2 2.89Å; I912-F916 HydrophobicContact CG2-CE2 3.94Å; I912-F916 WeakPolarHBondContact O-CD2 3.31Å; I912-F916 WeakPolarHBondContact O-CE2 3.43Å; I912-A952 HydrophobicContact CG2-CB 3.98Å; I912-L953 HydrophobicContact CB-CD2 4.01Å; I912-L953 HydrophobicContact CD1-CD2 3.94Å; I912-L953 HydrophobicContact CG2-CD2 3.94Å; I912-L953 HydrophobicContact CG2-CG 4.16Å; I912-A956 HydrophobicContact CD1-CB 3.42Å; I912-A956 VanDerWaalsContact CD1-CB 3.42Å
913	I	90.8	Very high	87.1	Confident	11 Å²	11	54.1 Å²	54.1	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-28.5	-176.7	63.3	163.5	0	0	0	113	F909 D910 N915 F916 V918 K920 Y928 M949	F909-I913 WeakPolarHBondContact O-CG2 3.43Å; F909-I913 PolarHBondContact O-N 2.69Å; D910-I913 WeakPolarHBondContact O-CG1 3.45Å; D910-I913 PolarHBondContact O-N 2.78Å; I913-N915 PolarHBondContact O-N 3.26Å; I913-F916 PolarHBondContact O-N 2.94Å; I913-V918 HydrophobicContact CB-CG2 3.73Å; I913-V918 HydrophobicContact CG2-CG2 4.27Å; I913-K920 HydrophobicContact CD1-CB 4.03Å; I913-K920 HydrophobicContact CD1-CD 4.4Å; I913-Y928 VanDerWaalsContact CD1-OH 3.32Å; I913-Y928 WeakPolarHBondContact CD1-OH 3.31Å; I913-Y928 HydrophobicContact CG2-CE1 4.37Å; I913-M949 HydrophobicContact CG2-CG 4.02Å; I913-M949 HydrophobicContact CG2-SD 3.71Å
914	D	88	Confident	85.9	Confident	132 Å²	132	56.4 Å²	56.4	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19	176.7	-77.7	-16.3	0	0	0	113	D910 I912	D910-D914 PolarHBondContact O-N 3.36Å; I912-D914 VanDerWaalsContact C-N 3.29Å; I912-D914 PolarHBondContact O-N 3.43Å
915	N	90.6	Very high	85.1	Confident	126 Å²	126	57.4 Å²	57.4	67%	0.674	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-3.7	177.1	-58.3	-61.3	0	0	0	114	A911 I912 I913	A911-N915 PolarHBondContact O-ND2 3.5Å; A911-N915 VanDerWaalsContact O-ND2 3.08Å; I912-N915 PolarHBondContact O-N 3.06Å; I912-N915 PolarHBondContact O-ND2 2.89Å; I913-N915 PolarHBondContact O-N 3.26Å
916	F	91.1	Very high	84.6	Confident	51 Å²	51	58.9 Å²	58.9	22%	0.224	33%	0.331	C	S	.	.	S	Bend	trans	-124.6	154	-175.1	-59.3	-78.3	0	0	0	111.4	I912 I913 V918 R948 M949 A952	I912-F916 HydrophobicContact CG2-CE2 3.94Å; I912-F916 WeakPolarHBondContact O-CD2 3.31Å; I912-F916 WeakPolarHBondContact O-CE2 3.43Å; I913-F916 PolarHBondContact O-N 2.94Å; F916-V918 HydrophobicContact CB-CG1 4.02Å; F916-V918 HydrophobicContact CB-CG2 4.2Å; F916-V918 PolarHBondContact O-N 2.92Å; F916-R948 HydrophobicContact CD1-CB 4.33Å; F916-R948 HydrophobicContact CE1-CB 3.78Å; F916-R948 HydrophobicContact CZ-CB 4.49Å; F916-M949 HydrophobicContact CD2-CB 3.92Å; F916-M949 HydrophobicContact CD2-CG 4.13Å; F916-M949 HydrophobicContact CE2-CB 4.26Å; F916-M949 HydrophobicContact CG-CB 4.08Å; F916-A952 HydrophobicContact CE2-CB 4.36Å; F916-A952 HydrophobicContact CZ-CB 4.27Å
917	D	89.4	Confident	84.3	Confident	83 Å²	83	58.5 Å²	58.5	44%	0.444	33%	0.334	S	S	.	.	S	Bend	trans	-78.1	74.5	175.8	178	33.8	0	0	0	110.6	S932 N938 E945	D917-S932 WeakPolarHBondContact O-CB 3.27Å; D917-S932 PolarHBondContact O-OG 3.23Å; D917-N938 WeakPolarHBondContact OD2-CB 3.3Å; D917-N938 PolarHBondContact OD2-ND2 2.89Å; D917-E945 HydrophobicContact CB-CG 4.12Å; D917-E945 PolarHBondContact N-OE2 2.73Å
918	V	90.1	Very high	84.3	Confident	28 Å²	28	54 Å²	54	17%	0.17	31%	0.306	C	S	.	.			trans	-138.1	151.4	-175.8	-57.6	0	0	0	0	111.6	I913 F916 V930 V931 E945 V946 M949	I913-V918 HydrophobicContact CB-CG2 3.73Å; I913-V918 HydrophobicContact CG2-CG2 4.27Å; F916-V918 HydrophobicContact CB-CG1 4.02Å; F916-V918 HydrophobicContact CB-CG2 4.2Å; F916-V918 PolarHBondContact O-N 2.92Å; V918-V930 HydrophobicContact CB-CG1 3.54Å; V918-V930 HydrophobicContact CG1-CG1 4.22Å; V918-V930 HydrophobicContact CG2-CG1 3.8Å; V918-V931 CarbonylContact C-O 3.56Å; V918-V931 WeakPolarHBondContact CA-O 3.45Å; V918-E945 HydrophobicContact CG1-CB 4.34Å; V918-V946 HydrophobicContact CG1-CG2 4.37Å; V918-M949 HydrophobicContact CB-SD 4.37Å; V918-M949 HydrophobicContact CG1-SD 4.02Å; V918-M949 HydrophobicContact CG2-SD 4.02Å
919	Y	88.8	Confident	84.4	Confident	47 Å²	47	52.9 Å²	52.9	18%	0.184	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.2	176.2	178.8	-106.2	0	0	0	110.4	P855 V921 V931 L934 Y993	P855-Y919 HydrophobicContact CB-CE2 4.26Å; P855-Y919 HydrophobicContact CG-CD2 4.32Å; P855-Y919 HydrophobicContact CG-CE1 4.37Å; P855-Y919 HydrophobicContact CG-CE2 3.64Å; Y919-V921 HydrophobicContact CD1-CG2 4.14Å; Y919-V921 HydrophobicContact CE1-CG2 4.4Å; Y919-V931 HydrophobicContact CD1-CG1 4.19Å; Y919-V931 PolarHBondContact N-O 3.04Å; Y919-V931 PolarHBondContact O-N 2.89Å; Y919-L934 HydrophobicContact CD1-CD1 4.24Å; Y919-Y993 HydrophobicContact CD1-CD1 4.47Å; Y919-Y993 AromaticContact CE1-CD1 3.79Å; Y919-Y993 HydrophobicContact CE1-CD1 3.79Å
920	K	88.9	Confident	84.4	Confident	69 Å²	69	52.8 Å²	52.8	30%	0.3	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.2	175	179.7	178	178.1	173.8	0	110	D910 I913 Y928	D910-K920 IonicContact OD1-NZ 3.65Å; D910-K920 PolarHBondContact OD1-NZ 3.13Å; D910-K920 IonicContact OD2-NZ 2.9Å; D910-K920 PolarHBondContact OD2-NZ 2.92Å; I913-K920 HydrophobicContact CD1-CB 4.03Å; I913-K920 HydrophobicContact CD1-CD 4.4Å; K920-Y928 HydrophobicContact CD-CE2 4.34Å
921	V	84.3	Confident	84.6	Confident	10 Å²	10	50.5 Å²	50.5	6%	0.061	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-93.2	159.9	173.9	-174.2	0	0	0	0	108.4	Y919 T923 M929 V931 L995	Y919-V921 HydrophobicContact CD1-CG2 4.14Å; Y919-V921 HydrophobicContact CE1-CG2 4.4Å; V921-T923 PolarHBondContact O-N 3.26Å; V921-M929 HydrophobicContact CB-CB 4.26Å; V921-M929 HydrophobicContact CB-CE 4.25Å; V921-M929 HydrophobicContact CB-CG 3.92Å; V921-M929 HydrophobicContact CB-SD 3.86Å; V921-M929 HydrophobicContact CG1-CE 4Å; V921-M929 HydrophobicContact CG1-CG 4.39Å; V921-M929 HydrophobicContact CG1-SD 3.65Å; V921-M929 HydrophobicContact CG2-CE 4.25Å; V921-M929 HydrophobicContact CG2-CG 4.43Å; V921-M929 HydrophobicContact CG2-SD 4.49Å; V921-M929 PolarHBondContact N-O 2.84Å; V921-V931 HydrophobicContact CG2-CB 4.3Å; V921-V931 HydrophobicContact CG2-CG1 3.62Å; V921-L995 HydrophobicContact CB-CD1 4.39Å; V921-L995 HydrophobicContact CG1-CD1 3.8Å; V921-L995 HydrophobicContact CG2-CD1 3.59Å
922	E	72.8	Confident	84.8	Confident	86 Å²	86	47.7 Å²	47.7	40%	0.402	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-49.9	134	176.2	-62.8	-163.6	145.7	0	0	112.3	R992	E922-R992 WeakPolarHBondContact OE1-CD 3.13Å; E922-R992 WeakPolarHBondContact OE1-CG 3.29Å; E922-R992 IonicContact OE1-CZ 3.62Å; E922-R992 IonicContact OE1-NE 3.14Å; E922-R992 PolarHBondContact OE1-NE 3.23Å; E922-R992 VanDerWaalsContact OE1-NE 3.14Å; E922-R992 IonicContact OE1-NH1 2.79Å; E922-R992 PolarHBondContact OE1-NH1 2.64Å; E922-R992 WeakPolarHBondContact OE2-CD 3.49Å; E922-R992 IonicContact OE2-CZ 2.72Å; E922-R992 IonicContact OE2-NE 3.84Å; E922-R992 IonicContact OE2-NH1 3.3Å; E922-R992 PolarHBondContact OE2-NH1 3.37Å
923	T	63.6	Low	84.7	Confident	55 Å²	55	46.5 Å²	46.5	34%	0.337	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-86.4	142.7	176.5	54.6	0	0	0	0	110.7	V921 A927 Y928	V921-T923 PolarHBondContact O-N 3.26Å; T923-A927 WeakPolarHBondContact CB-O 3.24Å; T923-A927 WeakPolarHBondContact CG2-O 3.15Å; T923-Y928 HydrophobicContact CG2-CD2 3.81Å; T923-Y928 HydrophobicContact CG2-CE2 4.44Å
924	I	63.3	Low	84.5	Confident	143 Å²	143	46.4 Å²	46.4	73%	0.733	26%	0.256	S	S	*	.	B	Isolated β-bridge	trans	-117.1	105	176.7	-58.1	175.7	0	0	0	107.4	D926 A927	I924-D926 PolarHBondContact O-N 3.16Å; I924-A927 WeakPolarHBondContact O-CB 3.42Å; I924-A927 PolarHBondContact O-N 3.44Å
925	G	71.8	Confident	83.9	Confident	59 Å²	59	41.4 Å²	41.4	61%	0.608	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	-125.8	-177.6	0	0	0	0	0	112.6	Y906 A927	Y906-G925 PolarHBondContact OH-O 2.91Å; G925-A927 VanDerWaalsContact C-N 3.34Å
926	D	77.7	Confident	83.6	Confident	34 Å²	34	40.2 Å²	40.2	18%	0.182	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.3	175	53	-30.1	0	0	0	113.8	D882 I883 F886 I924	D882-D926 VanDerWaalsContact OD1-OD2 3.11Å; I883-D926 HydrophobicContact CD1-CB 4.34Å; F886-D926 HydrophobicContact CB-CB 4.24Å; F886-D926 WeakPolarHBondContact CB-OD2 3.22Å; F886-D926 HydrophobicContact CD1-CB 3.49Å; F886-D926 VanDerWaalsContact CD1-CB 3.49Å; F886-D926 VanDerWaalsContact CD1-CG 3.43Å; F886-D926 WeakPolarHBondContact CD1-OD2 3.31Å; F886-D926 HydrophobicContact CD2-CB 4.02Å; F886-D926 HydrophobicContact CE1-CB 3.76Å; F886-D926 HydrophobicContact CE2-CB 4.25Å; F886-D926 HydrophobicContact CG-CB 3.64Å; F886-D926 WeakPolarHBondContact CG-OD2 3.33Å; F886-D926 HydrophobicContact CZ-CB 4.13Å; I924-D926 PolarHBondContact O-N 3.16Å
927	A	82.4	Confident	83.5	Confident	20 Å²	20	43.4 Å²	43.4	17%	0.165	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-84.2	129.7	178.9	0	0	0	0	0	112.4	S881 T923 I924 G925	S881-A927 CarbonylContact O-C 3.56Å; S881-A927 WeakPolarHBondContact O-CA 3.33Å; T923-A927 WeakPolarHBondContact CB-O 3.24Å; T923-A927 WeakPolarHBondContact CG2-O 3.15Å; I924-A927 WeakPolarHBondContact O-CB 3.42Å; I924-A927 PolarHBondContact O-N 3.44Å; G925-A927 VanDerWaalsContact C-N 3.34Å
928	Y	88.9	Confident	83.4	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.8	175.6	-163.4	-105.3	0	0	0	110.5	Y879 S881 Y906 F909 D910 I913 K920 T923 V930	Y879-Y928 HydrophobicContact CE1-CD1 4.15Å; S881-Y928 PolarHBondContact N-O 2.9Å; S881-Y928 PolarHBondContact O-N 3.27Å; S881-Y928 WeakPolarHBondContact OG-CB 3.43Å; Y906-Y928 AromaticContact CD1-CD2 3.51Å; Y906-Y928 HydrophobicContact CD1-CD2 3.51Å; Y906-Y928 AromaticContact CD1-CE2 3.77Å; Y906-Y928 HydrophobicContact CD1-CE2 3.77Å; Y906-Y928 AromaticContact CE1-CD2 3.51Å; Y906-Y928 HydrophobicContact CE1-CD2 3.51Å; Y906-Y928 HydrophobicContact CE1-CE2 4.24Å; Y906-Y928 HydrophobicContact CE1-CG 4.32Å; F909-Y928 HydrophobicContact CB-CE1 4.03Å; F909-Y928 HydrophobicContact CB-CE2 4.25Å; F909-Y928 AromaticContact CD2-CD1 3.84Å; F909-Y928 HydrophobicContact CD2-CD1 3.84Å; F909-Y928 HydrophobicContact CD2-CD2 4.14Å; F909-Y928 HydrophobicContact CD2-CE1 4.02Å; F909-Y928 HydrophobicContact CD2-CE2 4.29Å; F909-Y928 AromaticContact CD2-CG 3.9Å; F909-Y928 HydrophobicContact CD2-CG 3.9Å; F909-Y928 HydrophobicContact CE2-CG 4.46Å; F909-Y928 HydrophobicContact CG-CE1 4.5Å; D910-Y928 PolarHBondContact OD1-OH 3.46Å; I913-Y928 VanDerWaalsContact CD1-OH 3.32Å; I913-Y928 WeakPolarHBondContact CD1-OH 3.31Å; I913-Y928 HydrophobicContact CG2-CE1 4.37Å; K920-Y928 HydrophobicContact CD-CE2 4.34Å; T923-Y928 HydrophobicContact CG2-CD2 3.81Å; T923-Y928 HydrophobicContact CG2-CE2 4.44Å; Y928-V930 HydrophobicContact CD1-CG2 3.72Å; Y928-V930 HydrophobicContact CE1-CG2 3.38Å
929	M	90.2	Very high	83.2	Confident	16 Å²	16	41.1 Å²	41.1	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.9	-174.2	-173.7	-176.8	172.6	0	0	111.1	I878 Y879 F880 V921 L995 V1000	I878-M929 HydrophobicContact CG2-CE 3.9Å; I878-M929 HydrophobicContact CG2-CG 4.48Å; Y879-M929 WeakPolarHBondContact O-CA 3.34Å; F880-M929 HydrophobicContact CD1-CB 4.45Å; F880-M929 HydrophobicContact CD1-CG 4.45Å; F880-M929 HydrophobicContact CE1-CB 4.14Å; F880-M929 HydrophobicContact CE1-CG 3.94Å; F880-M929 HydrophobicContact CE1-SD 3.94Å; F880-M929 HydrophobicContact CE2-CE 4.05Å; F880-M929 HydrophobicContact CE2-CG 4.09Å; F880-M929 HydrophobicContact CE2-SD 4.13Å; F880-M929 HydrophobicContact CZ-CB 4.45Å; F880-M929 HydrophobicContact CZ-CE 3.88Å; F880-M929 HydrophobicContact CZ-CG 3.75Å; F880-M929 HydrophobicContact CZ-SD 3.45Å; F880-M929 WeakPolarHBondContact CZ-SD 3.3Å; V921-M929 HydrophobicContact CB-CB 4.26Å; V921-M929 HydrophobicContact CB-CE 4.25Å; V921-M929 HydrophobicContact CB-CG 3.92Å; V921-M929 HydrophobicContact CB-SD 3.86Å; V921-M929 HydrophobicContact CG1-CE 4Å; V921-M929 HydrophobicContact CG1-CG 4.39Å; V921-M929 HydrophobicContact CG1-SD 3.65Å; V921-M929 HydrophobicContact CG2-CE 4.25Å; V921-M929 HydrophobicContact CG2-CG 4.43Å; V921-M929 HydrophobicContact CG2-SD 4.49Å; V921-M929 PolarHBondContact N-O 2.84Å; M929-L995 HydrophobicContact CE-CD2 4.17Å; M929-V1000 HydrophobicContact CE-CG1 4.05Å
930	V	92.1	Very high	83	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.9	-179.4	-179.3	0	0	0	0	109.4	Y879 V918 Y928 M949	Y879-V930 WeakPolarHBondContact CB-O 3.41Å; Y879-V930 HydrophobicContact CD1-CB 4.19Å; Y879-V930 HydrophobicContact CD1-CG2 4.32Å; Y879-V930 PolarHBondContact N-O 3.47Å; Y879-V930 PolarHBondContact O-N 2.81Å; Y879-V930 VanDerWaalsContact O-N 3.09Å; V918-V930 HydrophobicContact CB-CG1 3.54Å; V918-V930 HydrophobicContact CG1-CG1 4.22Å; V918-V930 HydrophobicContact CG2-CG1 3.8Å; Y928-V930 HydrophobicContact CD1-CG2 3.72Å; Y928-V930 HydrophobicContact CE1-CG2 3.38Å; V930-M949 HydrophobicContact CB-CE 4.17Å; V930-M949 HydrophobicContact CB-SD 4.22Å; V930-M949 HydrophobicContact CG1-CE 4.17Å; V930-M949 HydrophobicContact CG1-SD 3.69Å; V930-M949 HydrophobicContact CG2-SD 4.43Å
931	V	92.3	Very high	83	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	147.7	179.6	64.2	0	0	0	0	111.1	V876 T877 I878 V918 Y919 V921 L934 L995	V876-V931 HydrophobicContact CB-CG2 4.11Å; V876-V931 HydrophobicContact CG2-CG2 4.31Å; T877-V931 WeakPolarHBondContact O-CA 3.4Å; I878-V931 HydrophobicContact CG1-CG2 4.03Å; V918-V931 CarbonylContact C-O 3.56Å; V918-V931 WeakPolarHBondContact CA-O 3.45Å; Y919-V931 HydrophobicContact CD1-CG1 4.19Å; Y919-V931 PolarHBondContact N-O 3.04Å; Y919-V931 PolarHBondContact O-N 2.89Å; V921-V931 HydrophobicContact CG2-CB 4.3Å; V921-V931 HydrophobicContact CG2-CG1 3.62Å; V931-L934 HydrophobicContact CG1-CD1 3.36Å; V931-L934 HydrophobicContact CG1-CD2 4.3Å; V931-L934 HydrophobicContact CG1-CG 3.82Å; V931-L934 HydrophobicContact CG2-CD1 4.36Å; V931-L934 HydrophobicContact CG2-CD2 3.93Å; V931-L934 HydrophobicContact CG2-CG 3.85Å; V931-L995 HydrophobicContact CB-CD2 4.14Å; V931-L995 HydrophobicContact CG1-CD2 4.14Å; V931-L995 HydrophobicContact CG2-CD2 3.95Å
932	S	93.3	Very high	83.4	Confident	1 Å²	1	47 Å²	47	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.3	169.2	-172.3	0	0	0	0	110.8	V876 T877 D917 N938 H942	V876-S932 WeakPolarHBondContact CB-O 3.37Å; T877-S932 PolarHBondContact N-O 3.21Å; T877-S932 PolarHBondContact O-N 2.86Å; D917-S932 WeakPolarHBondContact O-CB 3.27Å; D917-S932 PolarHBondContact O-OG 3.23Å; S932-N938 PolarHBondContact OG-ND2 2.77Å; S932-H942 VanDerWaalsContact C-CB 3.48Å; S932-H942 WeakPolarHBondContact O-CB 3.31Å; S932-H942 WeakPolarHBondContact OG-CA 3.2Å
933	G	87.8	Confident	84.2	Confident	5 Å²	5	43 Å²	43	5%	0.052	24%	0.241	C	C	.	.	S	Bend	trans	92.8	5.2	-173.6	0	0	0	0	0	114.4	V936	G933-V936 CarbonylContact C-O 3.53Å; G933-V936 VanDerWaalsContact C-O 3.29Å
934	L	86.4	Confident	85.5	Confident	8 Å²	8	44 Å²	44	4%	0.042	24%	0.239	C	C	.	.			trans	-148.4	157.2	171	67	73.7	0	0	0	110.3	F873 V876 Y919 V931 V936 V981 A983 Y993 L995	F873-L934 HydrophobicContact CD1-CB 3.96Å; F873-L934 HydrophobicContact CD2-CB 4.34Å; F873-L934 HydrophobicContact CD2-CD2 4.42Å; F873-L934 HydrophobicContact CE1-CB 3.8Å; F873-L934 HydrophobicContact CE2-CB 4.2Å; F873-L934 HydrophobicContact CG-CB 4.24Å; F873-L934 HydrophobicContact CZ-CB 3.94Å; V876-L934 HydrophobicContact CG1-CB 4.42Å; V876-L934 HydrophobicContact CG1-CD2 4.11Å; V876-L934 HydrophobicContact CG1-CG 4.43Å; Y919-L934 HydrophobicContact CD1-CD1 4.24Å; V931-L934 HydrophobicContact CG1-CD1 3.36Å; V931-L934 HydrophobicContact CG1-CD2 4.3Å; V931-L934 HydrophobicContact CG1-CG 3.82Å; V931-L934 HydrophobicContact CG2-CD1 4.36Å; V931-L934 HydrophobicContact CG2-CD2 3.93Å; V931-L934 HydrophobicContact CG2-CG 3.85Å; L934-V936 PolarHBondContact N-O 3.39Å; L934-V981 HydrophobicContact CD2-CG1 3.75Å; L934-A983 HydrophobicContact CD2-CB 4.13Å; L934-Y993 HydrophobicContact CD1-CE1 3.89Å; L934-L995 HydrophobicContact CD2-CD2 3.76Å; L934-L995 HydrophobicContact CD2-CG 4.07Å
935	P	76.8	Confident	87	Confident	28 Å²	28	38.8 Å²	38.8	18%	0.182	21%	0.212	C	C	.	.	S	Bend	cis	-71.1	-14.8	-5.9	32.7	-37.6	0	0	0	112.8	P855	P855-P935 HydrophobicContact CB-CG 3.71Å; P855-P935 HydrophobicContact CG-CG 4.21Å
936	V	84	Confident	88	Confident	100 Å²	100	36 Å²	36	61%	0.606	18%	0.183	S	C	*	.	S	Bend	trans	-94.7	127.5	174.7	-176	0	0	0	0	109.4	G933 L934 N938	G933-V936 CarbonylContact C-O 3.53Å; G933-V936 VanDerWaalsContact C-O 3.29Å; L934-V936 PolarHBondContact N-O 3.39Å; V936-N938 PolarHBondContact O-N 3.06Å
937	R	87.8	Confident	88.8	Confident	118 Å²	118	34.4 Å²	34.4	45%	0.445	17%	0.174	S	C	.	.			trans	-72.2	122.2	178.7	-62.9	177.2	-177.6	-117.2	0	110	E871 A872 F873 D874	E871-R937 IonicContact OE1-CZ 3.29Å; E871-R937 IonicContact OE1-NE 2.75Å; E871-R937 PolarHBondContact OE1-NE 2.9Å; E871-R937 IonicContact OE1-NH2 3.35Å; E871-R937 PolarHBondContact OE1-NH2 2.99Å; A872-R937 PolarHBondContact O-NH2 2.8Å; F873-R937 HydrophobicContact CD1-CG 4.02Å; F873-R937 HydrophobicContact CE1-CG 4.07Å; D874-R937 IonicContact OD2-NH1 3.34Å; D874-R937 PolarHBondContact OD2-NH1 3.37Å
938	N	88.3	Confident	89.3	Confident	8 Å²	8	37.1 Å²	37.1	4%	0.043	18%	0.18	C	C	.	.			trans	-111	16.7	-177.6	69.2	8.8	0	0	0	114.6	D917 S932 V936 R941 H942	D917-N938 WeakPolarHBondContact OD2-CB 3.3Å; D917-N938 PolarHBondContact OD2-ND2 2.89Å; S932-N938 PolarHBondContact OG-ND2 2.77Å; V936-N938 PolarHBondContact O-N 3.06Å; N938-R941 WeakPolarHBondContact O-CB 3.18Å; N938-R941 PolarHBondContact O-NE 3.29Å; N938-R941 VanDerWaalsContact O-NE 3.14Å; N938-H942 WeakPolarHBondContact OD1-CB 3.39Å; N938-H942 PolarHBondContact OD1-N 3.16Å
939	G	86.6	Confident	89.6	Confident	55 Å²	55	37 Å²	37	57%	0.567	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	-132.7	-178.7	0	0	0	0	0	110.9	H942	G939-H942 PolarHBondContact O-CD2 3.43Å; G939-H942 PolarHBondContact O-NE2 3.22Å
940	K	83.8	Confident	89.7	Confident	106 Å²	106	36.3 Å²	36.3	46%	0.461	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	1.5	174.3	-64.5	-176.4	-176.3	179	0	113.7	H942 G943 E1027 F1028	K940-H942 PolarHBondContact O-N 3.35Å; K940-G943 PolarHBondContact O-N 3.49Å; K940-E1027 WeakPolarHBondContact CD-OE2 3.48Å; K940-E1027 WeakPolarHBondContact CE-OE2 3.05Å; K940-E1027 IonicContact NZ-OE1 3.19Å; K940-E1027 PolarHBondContact NZ-OE1 3.1Å; K940-E1027 IonicContact NZ-OE2 3.93Å; K940-E1027 PolarHBondContact NZ-OE2 3.22Å; K940-F1028 HydrophobicContact CB-CZ 4.37Å; K940-F1028 WeakPolarHBondContact O-CE2 3.19Å; K940-F1028 WeakPolarHBondContact O-CZ 3.48Å
941	R	88.4	Confident	89.8	Confident	144 Å²	144	37.6 Å²	37.6	54%	0.543	18%	0.183	S	C	.	.	H	α-helix	trans	-65.2	-24.3	-178.6	-67.3	-175.3	-70.5	-176.2	2.3	112.4	N938 G943 R944 E945	N938-R941 WeakPolarHBondContact O-CB 3.18Å; N938-R941 PolarHBondContact O-NE 3.29Å; N938-R941 VanDerWaalsContact O-NE 3.14Å; R941-G943 PolarHBondContact O-N 2.72Å; R941-R944 WeakPolarHBondContact O-CB 3.32Å; R941-R944 PolarHBondContact O-N 2.86Å; R941-E945 WeakPolarHBondContact O-CG 3.37Å; R941-E945 PolarHBondContact O-N 3.38Å
942	H	92.3	Very high	89.8	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-48.8	-37.7	175.7	61	77.3	0	0	0	114.3	S875 T877 S932 N938 G939 K940 V946	S875-H942 PolarHBondContact O-CD2 3.02Å; S875-H942 PolarHBondContact OG-CE1 2.91Å; S875-H942 PolarHBondContact OG-NE2 2.89Å; T877-H942 PolarHBondContact N-ND1 2.78Å; T877-H942 PolarHBondContact OG1-ND1 3.24Å; S932-H942 VanDerWaalsContact C-CB 3.48Å; S932-H942 WeakPolarHBondContact O-CB 3.31Å; S932-H942 WeakPolarHBondContact OG-CA 3.2Å; N938-H942 WeakPolarHBondContact OD1-CB 3.39Å; N938-H942 PolarHBondContact OD1-N 3.16Å; G939-H942 PolarHBondContact O-CD2 3.43Å; G939-H942 PolarHBondContact O-NE2 3.22Å; K940-H942 PolarHBondContact O-N 3.35Å; H942-V946 WeakPolarHBondContact O-CG2 3.41Å; H942-V946 PolarHBondContact O-N 2.75Å
943	G	91.3	Very high	89.7	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-67.5	-45	177.1	0	0	0	0	0	112.5	T877 K940 R941 A947 L1025	T877-G943 WeakPolarHBondContact OG1-CA 3.48Å; T877-G943 PolarHBondContact OG1-N 2.86Å; K940-G943 PolarHBondContact O-N 3.49Å; R941-G943 PolarHBondContact O-N 2.72Å; G943-A947 VanDerWaalsContact O-CB 3.27Å; G943-A947 WeakPolarHBondContact O-CB 3.48Å; G943-A947 PolarHBondContact O-N 3.49Å; G943-L1025 WeakPolarHBondContact O-CD2 2.98Å
944	R	91.1	Very high	89.9	Confident	77 Å²	77	39.8 Å²	39.8	29%	0.291	20%	0.198	S	C	.	.	H	α-helix	trans	-64.6	-46.8	-179.1	-176.6	-176.3	-172.9	-177	3.2	111.8	R941 A947 R948 F1028 F1031	R941-R944 WeakPolarHBondContact O-CB 3.32Å; R941-R944 PolarHBondContact O-N 2.86Å; R944-A947 PolarHBondContact O-N 3.21Å; R944-R948 VanDerWaalsContact NE-CZ 3.28Å; R944-R948 VanDerWaalsContact NH2-CZ 3.34Å; R944-R948 WeakPolarHBondContact O-CG 3.33Å; R944-R948 PolarHBondContact O-N 2.8Å; R944-F1028 HydrophobicContact CB-CD2 4.37Å; R944-F1028 HydrophobicContact CB-CE1 4.44Å; R944-F1028 HydrophobicContact CB-CE2 4.15Å; R944-F1028 HydrophobicContact CB-CZ 4.18Å; R944-F1031 HydrophobicContact CB-CE2 4.33Å; R944-F1031 HydrophobicContact CB-CZ 4.43Å; R944-F1031 HydrophobicContact CG-CE2 3.97Å; R944-F1031 HydrophobicContact CG-CZ 3.87Å
945	E	93.1	Very high	90	Very high	34 Å²	34	43.7 Å²	43.7	16%	0.159	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-49.3	-179.1	-63.3	-58.2	139.2	0	0	110.9	D917 V918 R941 A947 R948 M949	D917-E945 HydrophobicContact CB-CG 4.12Å; D917-E945 PolarHBondContact N-OE2 2.73Å; V918-E945 HydrophobicContact CG1-CB 4.34Å; R941-E945 WeakPolarHBondContact O-CG 3.37Å; R941-E945 PolarHBondContact O-N 3.38Å; E945-A947 PolarHBondContact O-N 3.47Å; E945-R948 PolarHBondContact O-N 3.4Å; E945-M949 VanDerWaalsContact O-CB 3.27Å; E945-M949 WeakPolarHBondContact O-CB 3.41Å; E945-M949 PolarHBondContact O-N 3.3Å
946	V	94.6	Very high	90.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.9	-38.7	179	174.3	0	0	0	0	111.9	T877 Y879 V918 H942 M949 S950 I976	T877-V946 HydrophobicContact CG2-CB 3.74Å; T877-V946 HydrophobicContact CG2-CG1 3.76Å; T877-V946 HydrophobicContact CG2-CG2 3.98Å; Y879-V946 HydrophobicContact CD2-CG1 4.39Å; V918-V946 HydrophobicContact CG1-CG2 4.37Å; H942-V946 WeakPolarHBondContact O-CG2 3.41Å; H942-V946 PolarHBondContact O-N 2.75Å; V946-M949 HydrophobicContact CG1-CE 4.22Å; V946-S950 WeakPolarHBondContact O-CB 3.36Å; V946-S950 PolarHBondContact O-N 2.84Å; V946-S950 PolarHBondContact O-OG 2.88Å; V946-I976 HydrophobicContact CG1-CD1 4.26Å; V946-I976 HydrophobicContact CG1-CG1 4.5Å; V946-I976 HydrophobicContact CG1-CG2 3.96Å
947	A	93.3	Very high	90.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-64.8	-42.9	178.2	0	0	0	0	0	112.4	G943 R944 E945 S950 L951 L1025 F1031 L1052	G943-A947 VanDerWaalsContact O-CB 3.27Å; G943-A947 WeakPolarHBondContact O-CB 3.48Å; G943-A947 PolarHBondContact O-N 3.49Å; R944-A947 PolarHBondContact O-N 3.21Å; E945-A947 PolarHBondContact O-N 3.47Å; A947-S950 PolarHBondContact O-N 2.97Å; A947-L951 WeakPolarHBondContact O-CG 3.34Å; A947-L951 PolarHBondContact O-N 3.28Å; A947-L951 VanDerWaalsContact O-N 3.15Å; A947-L1025 HydrophobicContact CB-CD1 4.23Å; A947-L1025 HydrophobicContact CB-CD2 3.73Å; A947-F1031 HydrophobicContact CB-CD1 4.18Å; A947-F1031 HydrophobicContact CB-CE1 3.65Å; A947-F1031 HydrophobicContact CB-CZ 3.89Å; A947-L1052 HydrophobicContact CB-CD2 3.86Å
948	R	92.8	Very high	90.8	Very high	76 Å²	76	37.9 Å²	37.9	29%	0.287	19%	0.19	S	C	.	.	H	α-helix	trans	-65.6	-47.8	175.8	-75.9	176.4	169.4	-162.1	-13.8	112.3	F916 R944 E945 S950 L951 A952 F1031 E1055	F916-R948 HydrophobicContact CD1-CB 4.33Å; F916-R948 HydrophobicContact CE1-CB 3.78Å; F916-R948 HydrophobicContact CZ-CB 4.49Å; R944-R948 VanDerWaalsContact NE-CZ 3.28Å; R944-R948 VanDerWaalsContact NH2-CZ 3.34Å; R944-R948 WeakPolarHBondContact O-CG 3.33Å; R944-R948 PolarHBondContact O-N 2.8Å; E945-R948 PolarHBondContact O-N 3.4Å; R948-S950 PolarHBondContact O-N 3.28Å; R948-L951 PolarHBondContact O-N 2.8Å; R948-A952 PolarHBondContact O-N 3.13Å; R948-F1031 HydrophobicContact CG-CE1 4.17Å; R948-F1031 HydrophobicContact CG-CZ 4.07Å; R948-E1055 WeakPolarHBondContact CG-OE2 3.41Å; R948-E1055 IonicContact CZ-OE1 3.53Å; R948-E1055 IonicContact CZ-OE2 3.81Å; R948-E1055 IonicContact NE-OE1 3.29Å; R948-E1055 PolarHBondContact NE-OE1 3.43Å; R948-E1055 VanDerWaalsContact NE-OE1 3.1Å; R948-E1055 IonicContact NE-OE2 3.88Å; R948-E1055 PolarHBondContact NE-OE2 2.94Å; R948-E1055 IonicContact NH2-OE1 2.71Å; R948-E1055 PolarHBondContact NH2-OE1 3.46Å; R948-E1055 IonicContact NH2-OE2 2.92Å; R948-E1055 PolarHBondContact NH2-OE2 3.27Å
949	M	94.6	Very high	90.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.4	-44.4	173.8	179.4	-156.1	73.6	0	0	110.8	Y879 I913 F916 V918 V930 E945 V946 L951 A952 L953	Y879-M949 HydrophobicContact CD1-CE 4.02Å; Y879-M949 HydrophobicContact CD2-CE 3.45Å; Y879-M949 VanDerWaalsContact CD2-CE 3.45Å; Y879-M949 HydrophobicContact CE1-CE 4.44Å; Y879-M949 HydrophobicContact CE2-CE 3.89Å; Y879-M949 HydrophobicContact CG-CE 3.5Å; I913-M949 HydrophobicContact CG2-CG 4.02Å; I913-M949 HydrophobicContact CG2-SD 3.71Å; F916-M949 HydrophobicContact CD2-CB 3.92Å; F916-M949 HydrophobicContact CD2-CG 4.13Å; F916-M949 HydrophobicContact CE2-CB 4.26Å; F916-M949 HydrophobicContact CG-CB 4.08Å; V918-M949 HydrophobicContact CB-SD 4.37Å; V918-M949 HydrophobicContact CG1-SD 4.02Å; V918-M949 HydrophobicContact CG2-SD 4.02Å; V930-M949 HydrophobicContact CB-CE 4.17Å; V930-M949 HydrophobicContact CB-SD 4.22Å; V930-M949 HydrophobicContact CG1-CE 4.17Å; V930-M949 HydrophobicContact CG1-SD 3.69Å; V930-M949 HydrophobicContact CG2-SD 4.43Å; E945-M949 VanDerWaalsContact O-CB 3.27Å; E945-M949 WeakPolarHBondContact O-CB 3.41Å; E945-M949 PolarHBondContact O-N 3.3Å; V946-M949 HydrophobicContact CG1-CE 4.22Å; M949-L951 PolarHBondContact O-N 3.29Å; M949-A952 PolarHBondContact O-N 2.84Å; M949-L953 HydrophobicContact CE-CD1 4.02Å; M949-L953 HydrophobicContact CG-CD1 3.86Å; M949-L953 HydrophobicContact CG-CG 4.31Å; M949-L953 WeakPolarHBondContact O-CB 3.36Å; M949-L953 VanDerWaalsContact O-CG 3.27Å; M949-L953 WeakPolarHBondContact O-CG 3.38Å; M949-L953 PolarHBondContact O-N 2.8Å; M949-L953 HydrophobicContact SD-CD1 4.25Å
950	S	94.1	Very high	90.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-39.5	-179.9	-57.9	0	0	0	0	113.1	Y879 V946 A947 R948 L954 I976	Y879-S950 WeakPolarHBondContact CD2-OG 3.37Å; Y879-S950 WeakPolarHBondContact CE2-OG 3.36Å; V946-S950 WeakPolarHBondContact O-CB 3.36Å; V946-S950 PolarHBondContact O-N 2.84Å; V946-S950 PolarHBondContact O-OG 2.88Å; A947-S950 PolarHBondContact O-N 2.97Å; R948-S950 PolarHBondContact O-N 3.28Å; S950-L954 WeakPolarHBondContact O-CB 3.37Å; S950-L954 PolarHBondContact O-N 2.99Å; S950-I976 VanDerWaalsContact OG-CD1 3.26Å; S950-I976 WeakPolarHBondContact OG-CD1 3.5Å
951	L	92.8	Very high	90.8	Very high	28 Å²	28	43.4 Å²	43.4	15%	0.147	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-46.2	175.5	-70	167.9	0	0	0	111	A947 R948 M949 L953 L954 D955 I1015 L1052 E1055	A947-L951 WeakPolarHBondContact O-CG 3.34Å; A947-L951 PolarHBondContact O-N 3.28Å; A947-L951 VanDerWaalsContact O-N 3.15Å; R948-L951 PolarHBondContact O-N 2.8Å; M949-L951 PolarHBondContact O-N 3.29Å; L951-L953 PolarHBondContact O-N 2.8Å; L951-L954 PolarHBondContact O-N 3.22Å; L951-D955 PolarHBondContact O-N 2.93Å; L951-I1015 HydrophobicContact CD2-CD1 3.7Å; L951-I1015 HydrophobicContact CG-CD1 4.1Å; L951-L1052 HydrophobicContact CD1-CD2 4.49Å; L951-L1052 HydrophobicContact CD2-CG 4.46Å; L951-L1052 HydrophobicContact CG-CD2 4.31Å; L951-E1055 HydrophobicContact CD1-CB 4.25Å
952	A	92.3	Very high	90.7	Very high	36 Å²	36	36.6 Å²	36.6	30%	0.298	18%	0.184	S	C	.	.	H	α-helix	trans	-61.9	-43.4	178.2	0	0	0	0	0	112.5	I912 F916 R948 M949 D955 A956	I912-A952 HydrophobicContact CG2-CB 3.98Å; F916-A952 HydrophobicContact CE2-CB 4.36Å; F916-A952 HydrophobicContact CZ-CB 4.27Å; R948-A952 PolarHBondContact O-N 3.13Å; M949-A952 PolarHBondContact O-N 2.84Å; A952-D955 PolarHBondContact O-N 2.97Å; A952-A956 WeakPolarHBondContact O-CB 3.33Å; A952-A956 PolarHBondContact O-N 2.85Å
953	L	92.2	Very high	90.3	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.4	-43.5	175.4	-72.9	172.4	0	0	0	111.6	Y879 F909 I912 M949 L951 D955 A956 V957	Y879-L953 HydrophobicContact CE1-CD1 4.35Å; Y879-L953 HydrophobicContact CE2-CD1 4.24Å; F909-L953 HydrophobicContact CB-CD2 3.92Å; F909-L953 HydrophobicContact CD1-CD2 3.48Å; F909-L953 VanDerWaalsContact CD1-CD2 3.48Å; F909-L953 HydrophobicContact CD2-CD2 4.34Å; F909-L953 HydrophobicContact CE1-CD2 4.01Å; F909-L953 HydrophobicContact CG-CD2 3.66Å; I912-L953 HydrophobicContact CB-CD2 4.01Å; I912-L953 HydrophobicContact CD1-CD2 3.94Å; I912-L953 HydrophobicContact CG2-CD2 3.94Å; I912-L953 HydrophobicContact CG2-CG 4.16Å; M949-L953 HydrophobicContact CE-CD1 4.02Å; M949-L953 HydrophobicContact CG-CD1 3.86Å; M949-L953 HydrophobicContact CG-CG 4.31Å; M949-L953 WeakPolarHBondContact O-CB 3.36Å; M949-L953 VanDerWaalsContact O-CG 3.27Å; M949-L953 WeakPolarHBondContact O-CG 3.38Å; M949-L953 PolarHBondContact O-N 2.8Å; M949-L953 HydrophobicContact SD-CD1 4.25Å; L951-L953 PolarHBondContact O-N 2.8Å; L953-D955 VanDerWaalsContact C-N 3.33Å; L953-D955 PolarHBondContact O-N 2.93Å; L953-A956 PolarHBondContact O-N 2.99Å; L953-V957 WeakPolarHBondContact O-CG2 3.44Å; L953-V957 PolarHBondContact O-N 3Å
954	L	90.8	Very high	90	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.079	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-38.5	179.1	-173.4	67.1	0	0	0	112.1	S950 L951 K958 I974 L1013 I1015	S950-L954 WeakPolarHBondContact O-CB 3.37Å; S950-L954 PolarHBondContact O-N 2.99Å; L951-L954 PolarHBondContact O-N 3.22Å; L954-K958 PolarHBondContact O-N 2.98Å; L954-I974 HydrophobicContact CB-CD1 4.23Å; L954-I974 HydrophobicContact CD1-CD1 4.38Å; L954-L1013 HydrophobicContact CD1-CB 4.39Å; L954-L1013 HydrophobicContact CD1-CD2 4.11Å; L954-I1015 HydrophobicContact CD2-CD1 4.16Å; L954-I1015 HydrophobicContact CD2-CG1 4.16Å
955	D	89.9	Confident	89.6	Confident	90 Å²	90	47.1 Å²	47.1	48%	0.481	23%	0.226	S	C	.	.	H	α-helix	trans	-70.7	-39.2	176.3	-76.1	-22.8	0	0	0	112.5	L951 A952 L953 V957 K958	L951-D955 PolarHBondContact O-N 2.93Å; A952-D955 PolarHBondContact O-N 2.97Å; L953-D955 VanDerWaalsContact C-N 3.33Å; L953-D955 PolarHBondContact O-N 2.93Å; D955-V957 PolarHBondContact O-N 3.42Å; D955-K958 WeakPolarHBondContact O-CB 3.41Å; D955-K958 PolarHBondContact O-N 3.41Å; D955-K958 IonicContact OD1-NZ 2.71Å; D955-K958 PolarHBondContact OD1-NZ 3.15Å
956	A	89.8	Confident	89	Confident	18 Å²	18	50 Å²	50	15%	0.149	25%	0.247	C	C	.	.	H	α-helix	trans	-60.5	-43.8	174.5	0	0	0	0	0	111.9	I912 A952 L953 K958 S959 F960	I912-A956 HydrophobicContact CD1-CB 3.42Å; I912-A956 VanDerWaalsContact CD1-CB 3.42Å; A952-A956 WeakPolarHBondContact O-CB 3.33Å; A952-A956 PolarHBondContact O-N 2.85Å; L953-A956 PolarHBondContact O-N 2.99Å; A956-K958 VanDerWaalsContact C-N 3.26Å; A956-K958 PolarHBondContact O-N 3.05Å; A956-S959 PolarHBondContact O-N 3.18Å; A956-S959 PolarHBondContact O-OG 3.4Å; A956-F960 PolarHBondContact O-N 2.82Å; A956-F960 VanDerWaalsContact O-N 3.15Å
957	V	89.3	Confident	88.3	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-60.8	-32.2	178.3	170.8	0	0	0	0	112.5	F909 L953 D955 S959 F960 L970 L972	F909-V957 HydrophobicContact CE1-CG2 3.66Å; F909-V957 HydrophobicContact CZ-CG2 3.79Å; L953-V957 WeakPolarHBondContact O-CG2 3.44Å; L953-V957 PolarHBondContact O-N 3Å; D955-V957 PolarHBondContact O-N 3.42Å; V957-S959 PolarHBondContact O-N 2.91Å; V957-F960 PolarHBondContact O-N 2.84Å; V957-L970 HydrophobicContact CG1-CB 4.21Å; V957-L970 HydrophobicContact CG1-CD2 4.23Å; V957-L970 HydrophobicContact CG1-CG 4.42Å; V957-L970 WeakPolarHBondContact CG1-O 3.48Å; V957-L972 HydrophobicContact CG1-CB 4.21Å; V957-L972 HydrophobicContact CG2-CB 4.34Å; V957-L972 HydrophobicContact CG2-CD2 4.11Å
958	K	85.8	Confident	87.7	Confident	106 Å²	106	59.6 Å²	59.6	46%	0.461	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-32.4	176.2	-67.9	170.1	-171.2	160.4	0	112.3	L954 D955 A956	L954-K958 PolarHBondContact O-N 2.98Å; D955-K958 WeakPolarHBondContact O-CB 3.41Å; D955-K958 PolarHBondContact O-N 3.41Å; D955-K958 IonicContact OD1-NZ 2.71Å; D955-K958 PolarHBondContact OD1-NZ 3.15Å; A956-K958 VanDerWaalsContact C-N 3.26Å; A956-K958 PolarHBondContact O-N 3.05Å
959	S	85.3	Confident	87.3	Confident	95 Å²	95	61 Å²	61	66%	0.664	32%	0.316	S	S	*	.	H	α-helix	trans	-91.2	-13.6	-179.9	72	0	0	0	0	114.1	A956 V957	A956-S959 PolarHBondContact O-N 3.18Å; A956-S959 PolarHBondContact O-OG 3.4Å; V957-S959 PolarHBondContact O-N 2.91Å
960	F	87.3	Confident	86.9	Confident	31 Å²	31	61.2 Å²	61.2	14%	0.136	32%	0.317	C	S	.	.			trans	-73.2	127.9	-175.7	-173.2	-90.4	0	0	0	111.8	L901 D904 L905 A956 V957 L970	L901-F960 HydrophobicContact CD1-CE1 3.85Å; L901-F960 HydrophobicContact CD1-CZ 4.32Å; D904-F960 HydrophobicContact CB-CE2 4.15Å; D904-F960 HydrophobicContact CB-CZ 3.83Å; L905-F960 HydrophobicContact CB-CZ 4.16Å; L905-F960 HydrophobicContact CD1-CD1 4.47Å; L905-F960 HydrophobicContact CD1-CE1 4.39Å; L905-F960 HydrophobicContact CD1-CE2 4.46Å; L905-F960 HydrophobicContact CD1-CZ 4.38Å; A956-F960 PolarHBondContact O-N 2.82Å; A956-F960 VanDerWaalsContact O-N 3.15Å; V957-F960 PolarHBondContact O-N 2.84Å; F960-L970 HydrophobicContact CD1-CD2 4.29Å
961	K	85.1	Confident	86.7	Confident	159 Å²	159	67 Å²	67	69%	0.691	34%	0.339	S	S	*	.	B	Isolated β-bridge	trans	-111.7	132.2	178.7	-68	-174.9	-179.8	179.3	0	111.3	R963	K961-R963 PolarHBondContact O-N 3.29Å
962	I	86.7	Confident	86.7	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	33%	0.332	C	S	.	.			trans	-76.8	115.7	176.8	-57.5	173.9	0	0	0	109	L889 L901 H964 R965 P966 L970	L889-I962 HydrophobicContact CD1-CD1 4.04Å; L901-I962 HydrophobicContact CD1-CB 4.48Å; L901-I962 HydrophobicContact CD1-CG1 3.99Å; L901-I962 HydrophobicContact CD1-CG2 4.14Å; I962-H964 VanDerWaalsContact C-N 3.31Å; I962-H964 WeakPolarHBondContact CG2-CE1 3.25Å; I962-H964 WeakPolarHBondContact CG2-ND1 3.37Å; I962-H964 PolarHBondContact O-N 3.18Å; I962-R965 HydrophobicContact CB-CB 4.4Å; I962-R965 HydrophobicContact CG2-CB 4.05Å; I962-R965 CarbonylContact O-C 3.6Å; I962-R965 PolarHBondContact O-N 3Å; I962-P966 WeakPolarHBondContact O-CA 3.31Å; I962-P966 VanDerWaalsContact O-N 3.16Å; I962-L970 HydrophobicContact CD1-CD1 4.37Å
963	R	84.1	Confident	86.7	Confident	185 Å²	185	66.8 Å²	66.8	70%	0.698	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-44.6	-175.2	-67.1	-172.8	-163.3	-162.9	3.6	114	D904 K961	D904-R963 IonicContact OD1-CZ 3.05Å; D904-R963 IonicContact OD1-NE 2.87Å; D904-R963 IonicContact OD1-NH2 2.61Å; D904-R963 PolarHBondContact OD1-NH2 3.46Å; D904-R963 IonicContact OD2-CZ 3.57Å; D904-R963 IonicContact OD2-NE 3.16Å; D904-R963 PolarHBondContact OD2-NE 3.23Å; D904-R963 IonicContact OD2-NH2 2.7Å; D904-R963 PolarHBondContact OD2-NH2 3.34Å; K961-R963 PolarHBondContact O-N 3.29Å
964	H	84.9	Confident	86.8	Confident	53 Å²	53	66.8 Å²	66.8	25%	0.245	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-9.8	-177.7	62.4	-81.6	0	0	0	113.5	S893 Q897 I962	S893-H964 PolarHBondContact OG-CD2 2.98Å; S893-H964 PolarHBondContact OG-NE2 3.42Å; Q897-H964 HydrophobicContact CG-CB 4.44Å; I962-H964 VanDerWaalsContact C-N 3.31Å; I962-H964 WeakPolarHBondContact CG2-CE1 3.25Å; I962-H964 WeakPolarHBondContact CG2-ND1 3.37Å; I962-H964 PolarHBondContact O-N 3.18Å
965	R	82.4	Confident	87	Confident	60 Å²	60	66 Å²	66	23%	0.226	32%	0.324	C	S	.	.			trans	-147.2	69.6	-178.5	-70.3	-177	178.6	-151.4	-0.3	111.2	E892 I962 S967 Q968	E892-R965 PolarHBondContact O-NH2 3.09Å; E892-R965 VanDerWaalsContact O-NH2 3.16Å; E892-R965 IonicContact OE2-CZ 3.29Å; E892-R965 IonicContact OE2-NH1 3.83Å; E892-R965 PolarHBondContact OE2-NH1 3.39Å; E892-R965 IonicContact OE2-NH2 2.86Å; E892-R965 PolarHBondContact OE2-NH2 3.48Å; I962-R965 HydrophobicContact CB-CB 4.4Å; I962-R965 HydrophobicContact CG2-CB 4.05Å; I962-R965 CarbonylContact O-C 3.6Å; I962-R965 PolarHBondContact O-N 3Å; R965-S967 PolarHBondContact O-N 2.8Å; R965-S967 VanDerWaalsContact O-N 3.14Å; R965-Q968 HydrophobicContact CB-CB 4.32Å; R965-Q968 PolarHBondContact O-N 3.37Å
966	P	80.6	Confident	87.2	Confident	94 Å²	94	61.9 Å²	61.9	61%	0.61	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.3	-171	25.9	-35.1	0	0	0	114.6	I962	I962-P966 WeakPolarHBondContact O-CA 3.31Å; I962-P966 VanDerWaalsContact O-N 3.16Å
967	S	79.8	Confident	87.5	Confident	122 Å²	122	62 Å²	62	85%	0.853	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-12.2	178.2	53.8	0	0	0	0	114	R965	R965-S967 PolarHBondContact O-N 2.8Å; R965-S967 VanDerWaalsContact O-N 3.14Å
968	Q	81.8	Confident	87.8	Confident	82 Å²	82	62.3 Å²	62.3	38%	0.383	30%	0.302	S	S	.	.	S	Bend	trans	-100.4	121.5	-178	-171	172.2	-3.1	0	0	110.1	R965	R965-Q968 HydrophobicContact CB-CB 4.32Å; R965-Q968 PolarHBondContact O-N 3.37Å
969	Q	83.7	Confident	88.1	Confident	106 Å²	106	58.1 Å²	58.1	50%	0.495	29%	0.288	S	S	.	.	B	Isolated β-bridge	trans	-83.2	132.5	177.3	-169.8	178.3	30.1	0	0	111.1
970	L	87.3	Confident	88.4	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.021	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-71.3	132.5	172.5	-166.2	76	0	0	0	109.8	I883 L905 V957 F960 I962	I883-L970 HydrophobicContact CD1-CD1 4.48Å; I883-L970 HydrophobicContact CG2-CD1 3.55Å; I883-L970 HydrophobicContact CG2-CG 4.35Å; L905-L970 HydrophobicContact CD1-CD2 3.56Å; L905-L970 HydrophobicContact CD2-CD2 3.86Å; L905-L970 HydrophobicContact CG-CD2 4.34Å; V957-L970 HydrophobicContact CG1-CB 4.21Å; V957-L970 HydrophobicContact CG1-CD2 4.23Å; V957-L970 HydrophobicContact CG1-CG 4.42Å; V957-L970 WeakPolarHBondContact CG1-O 3.48Å; F960-L970 HydrophobicContact CD1-CD2 4.29Å; I962-L970 HydrophobicContact CD1-CD1 4.37Å
971	R	89.9	Confident	88.7	Confident	122 Å²	122	56.7 Å²	56.7	46%	0.46	28%	0.278	S	S	.	.			trans	-117.7	111.1	179.2	-67.8	-179.2	-63.4	172.6	0.3	109.5	V884 A1012 L1013	V884-R971 HydrophobicContact CB-CB 4.18Å; V884-R971 PolarHBondContact N-O 3.43Å; R971-A1012 HydrophobicContact CB-CB 4.3Å; R971-L1013 HydrophobicContact CB-CG 4.41Å; R971-L1013 HydrophobicContact CG-CD1 4.33Å; R971-L1013 HydrophobicContact CG-CG 4.28Å
972	L	90.8	Very high	88.9	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	141.5	176.8	-165.1	69.9	0	0	0	110.4	I883 F909 V957 I974 L1013	I883-L972 HydrophobicContact CG1-CD1 4.47Å; F909-L972 HydrophobicContact CE2-CD1 4.49Å; F909-L972 HydrophobicContact CZ-CD1 4.32Å; F909-L972 HydrophobicContact CZ-CD2 4.03Å; V957-L972 HydrophobicContact CG1-CB 4.21Å; V957-L972 HydrophobicContact CG2-CB 4.34Å; V957-L972 HydrophobicContact CG2-CD2 4.11Å; L972-I974 HydrophobicContact CD2-CD1 3.79Å; L972-I974 HydrophobicContact CD2-CG1 3.79Å; L972-I974 HydrophobicContact CG-CD1 4.47Å; L972-I974 HydrophobicContact CG-CG1 4.02Å; L972-L1013 WeakPolarHBondContact O-CA 3.27Å; L972-L1013 PolarHBondContact O-N 3.15Å
973	R	92.5	Very high	89	Confident	57 Å²	57	51.3 Å²	51.3	22%	0.215	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.2	167.7	-175.3	-179	-55.5	-179.9	5.7	108.4	S881 D882 V884 E1007 S1008 G1010	S881-R973 CarbonylContact C-O 3.56Å; S881-R973 WeakPolarHBondContact CA-O 3.4Å; S881-R973 VanDerWaalsContact CB-O 3.31Å; S881-R973 WeakPolarHBondContact CB-O 3.47Å; D882-R973 PolarHBondContact N-O 3.34Å; D882-R973 PolarHBondContact O-N 3.08Å; V884-R973 HydrophobicContact CG2-CB 3.8Å; R973-E1007 WeakPolarHBondContact CD-O 3.28Å; R973-E1007 WeakPolarHBondContact CD-OE1 3.28Å; R973-E1007 WeakPolarHBondContact CG-O 3.26Å; R973-S1008 PolarHBondContact NH1-O 3.17Å; R973-G1010 WeakPolarHBondContact CD-O 3.22Å; R973-G1010 PolarHBondContact NE-O 3.32Å
974	I	94.6	Very high	89.1	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.5	-175.1	-61.3	170.4	0	0	0	110.3	Y879 F880 L954 L972 I976 K1014 I1015 H1016	Y879-I974 HydrophobicContact CD2-CG2 3.71Å; Y879-I974 HydrophobicContact CE2-CB 4.26Å; Y879-I974 HydrophobicContact CE2-CD1 4.02Å; Y879-I974 HydrophobicContact CE2-CG1 4.01Å; Y879-I974 HydrophobicContact CE2-CG2 3.27Å; F880-I974 WeakPolarHBondContact O-CA 2.95Å; L954-I974 HydrophobicContact CB-CD1 4.23Å; L954-I974 HydrophobicContact CD1-CD1 4.38Å; L972-I974 HydrophobicContact CD2-CD1 3.79Å; L972-I974 HydrophobicContact CD2-CG1 3.79Å; L972-I974 HydrophobicContact CG-CD1 4.47Å; L972-I974 HydrophobicContact CG-CG1 4.02Å; I974-I976 HydrophobicContact CG2-CD1 4.43Å; I974-I976 HydrophobicContact CG2-CG1 4.07Å; I974-K1014 PolarHBondContact N-O 3.42Å; I974-I1015 HydrophobicContact CB-CB 4.46Å; I974-I1015 HydrophobicContact CB-CG1 4.1Å; I974-I1015 HydrophobicContact CB-CG2 4.46Å; I974-I1015 HydrophobicContact CD1-CG1 3.82Å; I974-I1015 HydrophobicContact CG2-CB 4.44Å; I974-I1015 HydrophobicContact CG2-CG1 4.23Å; I974-I1015 HydrophobicContact CG2-CG2 3.94Å; I974-H1016 WeakPolarHBondContact O-CB 3.15Å; I974-H1016 PolarHBondContact O-N 3.48Å
975	G	94.7	Very high	89	Confident	0 Å²	0	42 Å²	42	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.2	171.5	0	0	0	0	0	112.7	F880 H1016	F880-G975 PolarHBondContact N-O 2.72Å; F880-G975 PolarHBondContact O-N 2.78Å; G975-H1016 CarbonylContact C-O 3.48Å; G975-H1016 WeakPolarHBondContact CA-O 3.49Å
976	I	95.9	Very high	89	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.9	-179.4	-47.9	175.5	0	0	0	110.5	T877 I878 Y879 V946 S950 I974 I1015 H1016 V1017 S1018 T1021	T877-I976 HydrophobicContact CG2-CG2 3.31Å; I878-I976 WeakPolarHBondContact O-CA 3.43Å; Y879-I976 HydrophobicContact CD2-CG1 4.43Å; V946-I976 HydrophobicContact CG1-CD1 4.26Å; V946-I976 HydrophobicContact CG1-CG1 4.5Å; V946-I976 HydrophobicContact CG1-CG2 3.96Å; S950-I976 VanDerWaalsContact OG-CD1 3.26Å; S950-I976 WeakPolarHBondContact OG-CD1 3.5Å; I974-I976 HydrophobicContact CG2-CD1 4.43Å; I974-I976 HydrophobicContact CG2-CG1 4.07Å; I976-I1015 HydrophobicContact CD1-CG2 3.43Å; I976-I1015 VanDerWaalsContact CD1-CG2 3.43Å; I976-I1015 HydrophobicContact CG1-CG2 4.05Å; I976-H1016 PolarHBondContact N-O 3.37Å; I976-V1017 HydrophobicContact CB-CG1 4.04Å; I976-V1017 HydrophobicContact CD1-CG1 4.07Å; I976-V1017 HydrophobicContact CG1-CG1 4.34Å; I976-S1018 PolarHBondContact O-N 2.83Å; I976-T1021 HydrophobicContact CB-CG2 4.47Å; I976-T1021 HydrophobicContact CG2-CG2 3.8Å
977	H	95.4	Very high	88.6	Confident	22 Å²	22	40.2 Å²	40.2	10%	0.102	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.8	173.4	-178.1	59.9	0	0	0	111.5	I878 T1002 A1003 M1006 S1018 T1021	I878-H977 PolarHBondContact N-O 3.16Å; I878-H977 PolarHBondContact O-N 2.54Å; I878-H977 VanDerWaalsContact O-N 3.16Å; H977-T1002 HydrophobicContact CB-CG2 4.44Å; H977-T1002 VanDerWaalsContact CD2-CB 3.5Å; H977-T1002 WeakPolarHBondContact CD2-CB 3.15Å; H977-A1003 HydrophobicContact CB-CB 3.82Å; H977-M1006 HydrophobicContact CB-CG 4.33Å; H977-S1018 VanDerWaalsContact ND1-CB 3.27Å; H977-S1018 WeakPolarHBondContact ND1-CB 3.35Å; H977-S1018 PolarHBondContact ND1-OG 2.74Å; H977-T1021 VanDerWaalsContact C-OG1 3.27Å; H977-T1021 WeakPolarHBondContact CA-OG1 3.22Å
978	S	94.4	Very high	88.1	Confident	7 Å²	7	43 Å²	43	5%	0.049	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	133.4	179.7	-53.6	0	0	0	0	110.1	V876 T877 A1020 T1021	V876-S978 CarbonylContact O-C 3.58Å; V876-S978 WeakPolarHBondContact O-CA 3.37Å; T877-S978 PolarHBondContact OG1-OG 3.2Å; S978-A1020 WeakPolarHBondContact O-CB 3.46Å; S978-T1021 PolarHBondContact N-OG1 2.96Å; S978-T1021 WeakPolarHBondContact OG-CA 3.49Å; S978-T1021 PolarHBondContact OG-OG1 2.92Å
979	G	92.5	Very high	87.4	Confident	18 Å²	18	48.6 Å²	48.6	19%	0.186	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-175.5	-177.1	0	0	0	0	0	113.2	V876	V876-G979 WeakPolarHBondContact CG2-O 3.34Å; V876-G979 PolarHBondContact N-O 3.36Å; V876-G979 PolarHBondContact O-N 2.71Å
980	T	92.3	Very high	86.9	Confident	90 Å²	90	49.8 Å²	49.8	55%	0.552	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	143	-180	54.4	0	0	0	0	111.7	F873 D874 T999	F873-T980 WeakPolarHBondContact O-CA 3.29Å; D874-T980 WeakPolarHBondContact O-CG2 3.37Å; T980-T999 PolarHBondContact N-OG1 3.42Å; T980-T999 WeakPolarHBondContact O-CB 3.17Å; T980-T999 PolarHBondContact O-OG1 3.23Å
981	V	92.4	Very high	86.3	Confident	6 Å²	6	51.8 Å²	51.8	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	152.7	175.5	78	0	0	0	0	111.1	F873 V876 L934 L995 F996 V1000	F873-V981 HydrophobicContact CB-CG1 4.14Å; F873-V981 HydrophobicContact CD2-CG1 4.44Å; F873-V981 PolarHBondContact N-O 3.36Å; F873-V981 PolarHBondContact O-N 3.02Å; V876-V981 HydrophobicContact CB-CG1 4.34Å; V876-V981 HydrophobicContact CG1-CG1 3.95Å; V876-V981 HydrophobicContact CG2-CB 3.91Å; V876-V981 HydrophobicContact CG2-CG1 3.45Å; V876-V981 VanDerWaalsContact CG2-CG1 3.45Å; L934-V981 HydrophobicContact CD2-CG1 3.75Å; V981-L995 HydrophobicContact CG1-CD2 4.48Å; V981-L995 HydrophobicContact CG2-CB 3.9Å; V981-L995 HydrophobicContact CG2-CD2 4.21Å; V981-L995 HydrophobicContact CG2-CG 4.32Å; V981-F996 WeakPolarHBondContact CG2-O 3.39Å; V981-V1000 HydrophobicContact CG2-CG2 4.21Å
982	C	90.1	Very high	85.9	Confident	46 Å²	46	51.5 Å²	51.5	31%	0.311	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.4	166.2	-174.7	0	0	0	0	109.1	E871 F996	E871-C982 CarbonylContact O-C 3.54Å; E871-C982 VanDerWaalsContact O-CA 3.32Å; E871-C982 WeakPolarHBondContact O-CA 3.4Å; E871-C982 PolarHBondContact O-SG 3.38Å; E871-C982 VanDerWaalsContact O-SG 3.39Å; C982-F996 PolarHBondContact N-O 2.78Å; C982-F996 PolarHBondContact O-N 2.85Å
983	A	88.7	Confident	85.6	Confident	1 Å²	1	52 Å²	52	1%	0.008	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.2	179.8	0	0	0	0	0	111.4	A870 E871 F873 L934 Y993 C994 L995	A870-A983 CarbonylContact C-O 3.56Å; A870-A983 WeakPolarHBondContact CA-O 3.35Å; E871-A983 PolarHBondContact N-O 2.79Å; E871-A983 PolarHBondContact O-N 2.89Å; F873-A983 HydrophobicContact CD2-CB 4.23Å; F873-A983 HydrophobicContact CE2-CB 3.89Å; L934-A983 HydrophobicContact CD2-CB 4.13Å; A983-Y993 HydrophobicContact CB-CE1 3.83Å; A983-Y993 HydrophobicContact CB-CE2 4.5Å; A983-Y993 WeakPolarHBondContact CB-OH 3.37Å; A983-C994 WeakPolarHBondContact CA-O 3.28Å; A983-L995 HydrophobicContact CB-CG 4.37Å
984	G	85.9	Confident	85.3	Confident	4 Å²	4	50.7 Å²	50.7	4%	0.041	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	168.5	-177.9	0	0	0	0	0	112.9	C994	G984-C994 PolarHBondContact N-O 3.22Å; G984-C994 VanDerWaalsContact N-O 3.1Å; G984-C994 PolarHBondContact O-N 3.15Å
985	V	84	Confident	84.9	Confident	37 Å²	37	51.6 Å²	51.6	22%	0.224	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.9	178.4	179.6	0	0	0	0	110.3	V858 V868 P991 R992 Y993	V858-V985 HydrophobicContact CG1-CG2 3.45Å; V858-V985 VanDerWaalsContact CG1-CG2 3.45Å; V868-V985 HydrophobicContact CB-CB 4.39Å; V868-V985 HydrophobicContact CB-CG2 4.09Å; V868-V985 HydrophobicContact CG1-CB 4.46Å; V868-V985 HydrophobicContact CG1-CG2 3.85Å; V868-V985 HydrophobicContact CG2-CG2 4.4Å; V985-P991 HydrophobicContact CG1-CB 3.45Å; V985-P991 VanDerWaalsContact CG1-CB 3.45Å; V985-R992 CarbonylContact C-O 3.57Å; V985-R992 VanDerWaalsContact CA-O 3.3Å; V985-R992 WeakPolarHBondContact CA-O 3.23Å; V985-Y993 HydrophobicContact CG2-CD2 3.98Å
986	V	80.8	Confident	84.5	Confident	70 Å²	70	57.1 Å²	57.1	42%	0.424	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.1	178.7	-176	0	0	0	0	110	R992 C994 F996	V986-R992 PolarHBondContact N-O 3.18Å; V986-R992 PolarHBondContact O-N 2.94Å; V986-C994 HydrophobicContact CG2-CB 4.07Å; V986-F996 HydrophobicContact CG2-CE2 3.84Å; V986-F996 HydrophobicContact CG2-CZ 3.87Å
987	G	73.5	Confident	84.1	Confident	47 Å²	47	58.6 Å²	58.6	49%	0.485	32%	0.324	S	S	.	.			trans	91.7	136	178	0	0	0	0	0	113.6	P991	G987-P991 WeakPolarHBondContact O-CA 3.32Å
988	L	68.1	Low	83.8	Confident	182 Å²	182	61.7 Å²	61.7	95%	0.953	34%	0.342	S	S	*	.	S	Bend	trans	-89.2	-34	179.4	-65.7	173	0	0	0	113
989	K	68.3	Low	83.6	Confident	198 Å²	198	61.7 Å²	61.7	86%	0.861	34%	0.341	S	S	*	.	S	Bend	trans	-89.7	-29.9	-176	-169	172.8	-178.4	178.6	0	113.2
990	M	72.7	Confident	83.5	Confident	132 Å²	132	62 Å²	62	65%	0.65	34%	0.339	S	S	*	.	S	Bend	trans	-138	85.5	174.6	-77.4	-178	-85.7	0	0	107	R992	M990-R992 PolarHBondContact O-N 3.33Å
991	P	75.4	Confident	83.3	Confident	46 Å²	46	62.7 Å²	62.7	30%	0.299	34%	0.34	S	S	.	.			trans	-69.1	126.9	-176.6	27.2	-32.9	0	0	0	110.5	L854 V985 G987	L854-P991 HydrophobicContact CD1-CG 4.24Å; V985-P991 HydrophobicContact CG1-CB 3.45Å; V985-P991 VanDerWaalsContact CG1-CB 3.45Å; G987-P991 WeakPolarHBondContact O-CA 3.32Å
992	R	80.2	Confident	83.2	Confident	115 Å²	115	62.6 Å²	62.6	43%	0.434	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.8	-179.9	-62.3	172.3	170.8	-145.7	4.1	109.9	E922 V985 V986 M990 C994	E922-R992 WeakPolarHBondContact OE1-CD 3.13Å; E922-R992 WeakPolarHBondContact OE1-CG 3.29Å; E922-R992 IonicContact OE1-CZ 3.62Å; E922-R992 IonicContact OE1-NE 3.14Å; E922-R992 PolarHBondContact OE1-NE 3.23Å; E922-R992 VanDerWaalsContact OE1-NE 3.14Å; E922-R992 IonicContact OE1-NH1 2.79Å; E922-R992 PolarHBondContact OE1-NH1 2.64Å; E922-R992 WeakPolarHBondContact OE2-CD 3.49Å; E922-R992 IonicContact OE2-CZ 2.72Å; E922-R992 IonicContact OE2-NE 3.84Å; E922-R992 IonicContact OE2-NH1 3.3Å; E922-R992 PolarHBondContact OE2-NH1 3.37Å; V985-R992 CarbonylContact C-O 3.57Å; V985-R992 VanDerWaalsContact CA-O 3.3Å; V985-R992 WeakPolarHBondContact CA-O 3.23Å; V986-R992 PolarHBondContact N-O 3.18Å; V986-R992 PolarHBondContact O-N 2.94Å; M990-R992 PolarHBondContact O-N 3.33Å; R992-C994 PolarHBondContact O-N 2.67Å
993	Y	85.1	Confident	83.3	Confident	13 Å²	13	60.4 Å²	60.4	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	101.4	175.1	-165.7	-102.2	0	0	0	109.5	P855 V858 Y919 L934 A983 V985	P855-Y993 HydrophobicContact CG-CD1 4.28Å; P855-Y993 HydrophobicContact CG-CG 4.18Å; V858-Y993 HydrophobicContact CG2-CD2 4.09Å; V858-Y993 HydrophobicContact CG2-CE2 3.88Å; Y919-Y993 HydrophobicContact CD1-CD1 4.47Å; Y919-Y993 AromaticContact CE1-CD1 3.79Å; Y919-Y993 HydrophobicContact CE1-CD1 3.79Å; L934-Y993 HydrophobicContact CD1-CE1 3.89Å; A983-Y993 HydrophobicContact CB-CE1 3.83Å; A983-Y993 HydrophobicContact CB-CE2 4.5Å; A983-Y993 WeakPolarHBondContact CB-OH 3.37Å; V985-Y993 HydrophobicContact CG2-CD2 3.98Å
994	C	85.3	Confident	83.4	Confident	28 Å²	28	62.3 Å²	62.3	19%	0.189	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	148.7	-172.4	-62.6	0	0	0	0	111.8	A983 G984 V986 R992 F996	A983-C994 WeakPolarHBondContact CA-O 3.28Å; G984-C994 PolarHBondContact N-O 3.22Å; G984-C994 VanDerWaalsContact N-O 3.1Å; G984-C994 PolarHBondContact O-N 3.15Å; V986-C994 HydrophobicContact CG2-CB 4.07Å; R992-C994 PolarHBondContact O-N 2.67Å; C994-F996 HydrophobicContact CB-CE2 3.7Å; C994-F996 HydrophobicContact CB-CZ 3.88Å
995	L	88	Confident	83.6	Confident	19 Å²	19	66.8 Å²	66.8	10%	0.099	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	134.6	175.3	-73.4	76.3	0	0	0	110.2	I878 V921 M929 V931 L934 V981 A983 V1000	I878-L995 HydrophobicContact CD1-CD2 4.29Å; V921-L995 HydrophobicContact CB-CD1 4.39Å; V921-L995 HydrophobicContact CG1-CD1 3.8Å; V921-L995 HydrophobicContact CG2-CD1 3.59Å; M929-L995 HydrophobicContact CE-CD2 4.17Å; V931-L995 HydrophobicContact CB-CD2 4.14Å; V931-L995 HydrophobicContact CG1-CD2 4.14Å; V931-L995 HydrophobicContact CG2-CD2 3.95Å; L934-L995 HydrophobicContact CD2-CD2 3.76Å; L934-L995 HydrophobicContact CD2-CG 4.07Å; V981-L995 HydrophobicContact CG1-CD2 4.48Å; V981-L995 HydrophobicContact CG2-CB 3.9Å; V981-L995 HydrophobicContact CG2-CD2 4.21Å; V981-L995 HydrophobicContact CG2-CG 4.32Å; A983-L995 HydrophobicContact CB-CG 4.37Å; L995-V1000 HydrophobicContact CB-CG2 4.1Å
996	F	85.8	Confident	84	Confident	116 Å²	116	65 Å²	65	51%	0.509	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.7	179.4	-61.8	-80.9	0	0	0	110.5	V981 C982 V986 C994	V981-F996 WeakPolarHBondContact CG2-O 3.39Å; C982-F996 PolarHBondContact N-O 2.78Å; C982-F996 PolarHBondContact O-N 2.85Å; V986-F996 HydrophobicContact CG2-CE2 3.84Å; V986-F996 HydrophobicContact CG2-CZ 3.87Å; C994-F996 HydrophobicContact CB-CE2 3.7Å; C994-F996 HydrophobicContact CB-CZ 3.88Å
997	G	87.5	Confident	84.5	Confident	34 Å²	34	62.6 Å²	62.6	35%	0.351	33%	0.327	S	S	.	.	S	Bend	trans	156.4	163.1	174.2	0	0	0	0	0	113.1	T999 V1000	G997-T999 PolarHBondContact O-N 3.38Å; G997-V1000 PolarHBondContact O-N 2.81Å
998	D	88	Confident	85.3	Confident	86 Å²	86	62.5 Å²	62.5	46%	0.46	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-25.2	177.6	-174.1	59.7	0	0	0	113.2	V1000 N1001 T1002 K1044	D998-V1000 VanDerWaalsContact C-N 3.3Å; D998-V1000 PolarHBondContact O-N 3.46Å; D998-N1001 PolarHBondContact O-N 3.42Å; D998-T1002 PolarHBondContact O-N 3.46Å; D998-T1002 PolarHBondContact O-OG1 3.19Å; D998-K1044 WeakPolarHBondContact OD1-CE 3.39Å; D998-K1044 IonicContact OD1-NZ 2.69Å; D998-K1044 PolarHBondContact OD1-NZ 3.48Å; D998-K1044 WeakPolarHBondContact OD2-CE 3.16Å; D998-K1044 IonicContact OD2-NZ 2.57Å; D998-K1044 PolarHBondContact OD2-NZ 2.81Å
999	T	91	Very high	86.3	Confident	7 Å²	7	55.7 Å²	55.7	4%	0.043	29%	0.285	C	S	.	.	H	α-helix	trans	-58.8	-39.4	174.9	-53.3	0	0	0	0	112	I878 T980 G997 T1002 A1003	I878-T999 HydrophobicContact CD1-CG2 3.8Å; I878-T999 HydrophobicContact CG1-CG2 4.25Å; T980-T999 PolarHBondContact N-OG1 3.42Å; T980-T999 WeakPolarHBondContact O-CB 3.17Å; T980-T999 PolarHBondContact O-OG1 3.23Å; G997-T999 PolarHBondContact O-N 3.38Å; T999-T1002 PolarHBondContact O-N 2.76Å; T999-A1003 WeakPolarHBondContact O-CB 3.38Å; T999-A1003 PolarHBondContact O-N 3.21Å
1000	V	90.1	Very high	87.3	Confident	24 Å²	24	46.6 Å²	46.6	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-63.7	-47.1	178.1	-176.4	0	0	0	0	110.2	I878 F880 M929 V981 L995 G997 D998 T1002 A1003 S1004	I878-V1000 HydrophobicContact CD1-CB 4.41Å; I878-V1000 HydrophobicContact CD1-CG2 3.78Å; F880-V1000 HydrophobicContact CE2-CG1 4.04Å; F880-V1000 HydrophobicContact CZ-CG1 3.84Å; M929-V1000 HydrophobicContact CE-CG1 4.05Å; V981-V1000 HydrophobicContact CG2-CG2 4.21Å; L995-V1000 HydrophobicContact CB-CG2 4.1Å; G997-V1000 PolarHBondContact O-N 2.81Å; D998-V1000 VanDerWaalsContact C-N 3.3Å; D998-V1000 PolarHBondContact O-N 3.46Å; V1000-T1002 PolarHBondContact O-N 2.76Å; V1000-A1003 PolarHBondContact O-N 3.11Å; V1000-S1004 PolarHBondContact O-N 2.67Å
1001	N	89.2	Confident	88.1	Confident	105 Å²	105	44.2 Å²	44.2	56%	0.561	23%	0.234	S	C	*	.	H	α-helix	trans	-63.1	-43.6	178.7	-68	-38.3	0	0	0	111.4	D998 S1004 R1005	D998-N1001 PolarHBondContact O-N 3.42Å; N1001-S1004 PolarHBondContact O-N 3.46Å; N1001-R1005 WeakPolarHBondContact O-CG 3.28Å; N1001-R1005 PolarHBondContact O-N 2.95Å
1002	T	89.9	Confident	88.8	Confident	4 Å²	4	43.8 Å²	43.8	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-39.1	179.7	-56.3	0	0	0	0	111.4	H977 D998 T999 V1000 R1005 M1006 K1044 M1047	H977-T1002 HydrophobicContact CB-CG2 4.44Å; H977-T1002 VanDerWaalsContact CD2-CB 3.5Å; H977-T1002 WeakPolarHBondContact CD2-CB 3.15Å; D998-T1002 PolarHBondContact O-N 3.46Å; D998-T1002 PolarHBondContact O-OG1 3.19Å; T999-T1002 PolarHBondContact O-N 2.76Å; V1000-T1002 PolarHBondContact O-N 2.76Å; T1002-R1005 WeakPolarHBondContact O-CB 3.36Å; T1002-R1005 PolarHBondContact O-N 2.99Å; T1002-R1005 VanDerWaalsContact O-N 3.16Å; T1002-M1006 WeakPolarHBondContact O-CG 3.23Å; T1002-M1006 PolarHBondContact O-N 2.78Å; T1002-K1044 WeakPolarHBondContact OG1-CE 3.43Å; T1002-M1047 HydrophobicContact CG2-CE 4.19Å
1003	A	91.7	Very high	89.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-46.1	174.7	0	0	0	0	0	112.3	I878 F880 H977 T999 V1000 R1005 M1006 E1007	I878-A1003 HydrophobicContact CB-CB 3.96Å; I878-A1003 HydrophobicContact CG2-CB 3.99Å; F880-A1003 HydrophobicContact CD2-CB 3.53Å; F880-A1003 HydrophobicContact CE2-CB 3.86Å; H977-A1003 HydrophobicContact CB-CB 3.82Å; T999-A1003 WeakPolarHBondContact O-CB 3.38Å; T999-A1003 PolarHBondContact O-N 3.21Å; V1000-A1003 PolarHBondContact O-N 3.11Å; A1003-R1005 VanDerWaalsContact C-N 3.25Å; A1003-R1005 PolarHBondContact O-N 3.37Å; A1003-M1006 WeakPolarHBondContact O-CB 3.38Å; A1003-M1006 PolarHBondContact O-N 2.94Å; A1003-M1006 VanDerWaalsContact O-N 3.07Å; A1003-E1007 PolarHBondContact O-N 2.88Å
1004	S	90.3	Very high	89.6	Confident	42 Å²	42	44.1 Å²	44.1	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-60.9	-32.2	173.2	171	0	0	0	0	112.6	V1000 N1001 E1007 S1008	V1000-S1004 PolarHBondContact O-N 2.67Å; N1001-S1004 PolarHBondContact O-N 3.46Å; S1004-E1007 PolarHBondContact O-N 3.13Å; S1004-S1008 PolarHBondContact O-N 3.27Å; S1004-S1008 PolarHBondContact O-OG 3.43Å
1005	R	90.3	Very high	90	Very high	98 Å²	98	42.9 Å²	42.9	37%	0.37	23%	0.233	S	C	.	.	H	α-helix	trans	-71.4	-35.2	172.2	-65.9	-57.8	178	-149.9	-10.1	113.3	N1001 T1002 A1003 E1007 S1008 T1009 V1041	N1001-R1005 WeakPolarHBondContact O-CG 3.28Å; N1001-R1005 PolarHBondContact O-N 2.95Å; T1002-R1005 WeakPolarHBondContact O-CB 3.36Å; T1002-R1005 PolarHBondContact O-N 2.99Å; T1002-R1005 VanDerWaalsContact O-N 3.16Å; A1003-R1005 VanDerWaalsContact C-N 3.25Å; A1003-R1005 PolarHBondContact O-N 3.37Å; R1005-E1007 VanDerWaalsContact C-N 3.26Å; R1005-E1007 PolarHBondContact O-N 3.23Å; R1005-S1008 WeakPolarHBondContact CA-OG 3.24Å; R1005-S1008 PolarHBondContact O-OG 2.94Å; R1005-T1009 WeakPolarHBondContact O-CB 3.33Å; R1005-T1009 WeakPolarHBondContact O-CG2 3.37Å; R1005-T1009 PolarHBondContact O-N 3.12Å; R1005-T1009 VanDerWaalsContact O-N 3.07Å; R1005-T1009 PolarHBondContact O-OG1 2.77Å; R1005-V1041 HydrophobicContact CB-CG1 3.66Å; R1005-V1041 HydrophobicContact CG-CG1 3.96Å
1006	M	93	Very high	90.3	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-63.5	-37.8	172.8	-64.2	-57.6	91.2	0	0	110.7	H977 T1002 A1003 G1010 H1016 V1041 T1049	H977-M1006 HydrophobicContact CB-CG 4.33Å; T1002-M1006 WeakPolarHBondContact O-CG 3.23Å; T1002-M1006 PolarHBondContact O-N 2.78Å; A1003-M1006 WeakPolarHBondContact O-CB 3.38Å; A1003-M1006 PolarHBondContact O-N 2.94Å; A1003-M1006 VanDerWaalsContact O-N 3.07Å; M1006-G1010 PolarHBondContact O-N 2.69Å; M1006-H1016 PolarHBondContact O-ND1 3.24Å; M1006-V1041 HydrophobicContact CE-CG1 4.43Å; M1006-V1041 HydrophobicContact CE-CG2 3.88Å; M1006-T1049 HydrophobicContact CE-CG2 4.34Å; M1006-T1049 HydrophobicContact SD-CG2 3.82Å
1007	E	92	Very high	90.8	Very high	19 Å²	19	36.4 Å²	36.4	9%	0.089	20%	0.204	C	C	.	.	H	α-helix	trans	-65.4	-60.6	174.8	175.6	-72.2	115.7	0	0	109.7	F880 D882 R973 A1003 S1004 R1005 T1009 G1010	F880-E1007 HydrophobicContact CB-CB 3.73Å; F880-E1007 HydrophobicContact CB-CG 4.08Å; D882-E1007 VanDerWaalsContact CB-CD 3.44Å; D882-E1007 HydrophobicContact CB-CG 4.06Å; D882-E1007 WeakPolarHBondContact CB-OE1 3.04Å; R973-E1007 WeakPolarHBondContact CD-O 3.28Å; R973-E1007 WeakPolarHBondContact CD-OE1 3.28Å; R973-E1007 WeakPolarHBondContact CG-O 3.26Å; A1003-E1007 PolarHBondContact O-N 2.88Å; S1004-E1007 PolarHBondContact O-N 3.13Å; R1005-E1007 VanDerWaalsContact C-N 3.26Å; R1005-E1007 PolarHBondContact O-N 3.23Å; E1007-T1009 VanDerWaalsContact C-N 3.27Å; E1007-T1009 PolarHBondContact O-N 2.8Å; E1007-T1009 VanDerWaalsContact O-N 3.12Å; E1007-G1010 WeakPolarHBondContact O-CA 3.46Å; E1007-G1010 PolarHBondContact O-N 3.34Å
1008	S	89.3	Confident	91.1	Very high	45 Å²	45	34.8 Å²	34.8	32%	0.315	19%	0.188	S	C	.	.	H	α-helix	trans	-61.8	-29	-172.7	50.2	0	0	0	0	114.9	R973 S1004 R1005 G1010	R973-S1008 PolarHBondContact NH1-O 3.17Å; S1004-S1008 PolarHBondContact O-N 3.27Å; S1004-S1008 PolarHBondContact O-OG 3.43Å; R1005-S1008 WeakPolarHBondContact CA-OG 3.24Å; R1005-S1008 PolarHBondContact O-OG 2.94Å; S1008-G1010 VanDerWaalsContact C-N 3.35Å
1009	T	89.9	Confident	91.2	Very high	39 Å²	39	32.6 Å²	32.6	24%	0.239	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.7	173.8	60.5	0	0	0	0	113.8	R1005 E1007 H1016 R1036	R1005-T1009 WeakPolarHBondContact O-CB 3.33Å; R1005-T1009 WeakPolarHBondContact O-CG2 3.37Å; R1005-T1009 PolarHBondContact O-N 3.12Å; R1005-T1009 VanDerWaalsContact O-N 3.07Å; R1005-T1009 PolarHBondContact O-OG1 2.77Å; E1007-T1009 VanDerWaalsContact C-N 3.27Å; E1007-T1009 PolarHBondContact O-N 2.8Å; E1007-T1009 VanDerWaalsContact O-N 3.12Å; T1009-H1016 PolarHBondContact OG1-CE1 2.54Å; T1009-H1016 VanDerWaalsContact OG1-CE1 3.31Å; T1009-H1016 PolarHBondContact OG1-ND1 3.45Å; T1009-R1036 VanDerWaalsContact O-CZ 3.26Å; T1009-R1036 PolarHBondContact O-NH1 3Å; T1009-R1036 PolarHBondContact O-NH2 2.77Å
1010	G	87.8	Confident	91.3	Very high	7 Å²	7	33.9 Å²	33.9	7%	0.072	19%	0.186	C	C	.	.	S	Bend	trans	-71.6	174.1	177.8	0	0	0	0	0	113.9	R973 M1006 E1007 S1008	R973-G1010 WeakPolarHBondContact CD-O 3.22Å; R973-G1010 PolarHBondContact NE-O 3.32Å; M1006-G1010 PolarHBondContact O-N 2.69Å; E1007-G1010 WeakPolarHBondContact O-CA 3.46Å; E1007-G1010 PolarHBondContact O-N 3.34Å; S1008-G1010 VanDerWaalsContact C-N 3.35Å
1011	E	89.7	Confident	91.4	Very high	81 Å²	81	32.8 Å²	32.8	38%	0.379	18%	0.179	S	C	.	.			trans	-110.5	155.3	176.3	-75.3	174.3	-160	0	0	110.2	L1013 K1014 W1051	E1011-L1013 PolarHBondContact O-N 3.02Å; E1011-K1014 HydrophobicContact CB-CB 4.42Å; E1011-K1014 HydrophobicContact CB-CD 4.1Å; E1011-K1014 HydrophobicContact CB-CG 4.47Å; E1011-K1014 PolarHBondContact O-N 3.42Å; E1011-K1014 WeakPolarHBondContact OE2-CE 3.34Å; E1011-K1014 IonicContact OE2-NZ 3Å; E1011-K1014 PolarHBondContact OE2-NZ 3.25Å; E1011-W1051 HydrophobicContact CB-CH2 3.78Å; E1011-W1051 HydrophobicContact CB-CZ2 4.36Å; E1011-W1051 HydrophobicContact CB-CZ3 4.42Å; E1011-W1051 HydrophobicContact CG-CH2 3.82Å; E1011-W1051 HydrophobicContact CG-CZ2 4.05Å
1012	A	90.3	Very high	91.5	Very high	37 Å²	37	31.1 Å²	31.1	31%	0.306	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	137	176.9	0	0	0	0	0	111.2	V884 R971 K1014	V884-A1012 HydrophobicContact CG2-CB 4.07Å; R971-A1012 HydrophobicContact CB-CB 4.3Å; A1012-K1014 PolarHBondContact O-N 2.99Å
1013	L	89.9	Confident	91.6	Very high	52 Å²	52	36.4 Å²	36.4	27%	0.272	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	26.7	-179.7	-58.4	173.8	0	0	0	114.6	L954 R971 L972 E1011	L954-L1013 HydrophobicContact CD1-CB 4.39Å; L954-L1013 HydrophobicContact CD1-CD2 4.11Å; R971-L1013 HydrophobicContact CB-CG 4.41Å; R971-L1013 HydrophobicContact CG-CD1 4.33Å; R971-L1013 HydrophobicContact CG-CG 4.28Å; L972-L1013 WeakPolarHBondContact O-CA 3.27Å; L972-L1013 PolarHBondContact O-N 3.15Å; E1011-L1013 PolarHBondContact O-N 3.02Å
1014	K	91.6	Very high	91.5	Very high	84 Å²	84	37.2 Å²	37.2	37%	0.365	19%	0.194	S	C	.	.			trans	-129.2	151.5	175	-65.6	-171.1	-175.7	168.3	0	111.6	I974 E1011 A1012 W1051	I974-K1014 PolarHBondContact N-O 3.42Å; E1011-K1014 HydrophobicContact CB-CB 4.42Å; E1011-K1014 HydrophobicContact CB-CD 4.1Å; E1011-K1014 HydrophobicContact CB-CG 4.47Å; E1011-K1014 PolarHBondContact O-N 3.42Å; E1011-K1014 WeakPolarHBondContact OE2-CE 3.34Å; E1011-K1014 IonicContact OE2-NZ 3Å; E1011-K1014 PolarHBondContact OE2-NZ 3.25Å; A1012-K1014 PolarHBondContact O-N 2.99Å; K1014-W1051 HydrophobicContact CB-CE3 3.7Å; K1014-W1051 HydrophobicContact CB-CH2 4.41Å; K1014-W1051 HydrophobicContact CB-CZ3 3.61Å; K1014-W1051 HydrophobicContact CD-CD2 4.15Å; K1014-W1051 HydrophobicContact CD-CE3 4.09Å; K1014-W1051 HydrophobicContact CD-CH2 4.37Å; K1014-W1051 HydrophobicContact CD-CZ2 4.4Å; K1014-W1051 HydrophobicContact CD-CZ3 4.19Å
1015	I	94.9	Very high	91.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.4	176.8	-59.2	162.9	0	0	0	108.9	L951 L954 I974 I976 V1017 W1051 L1052	L951-I1015 HydrophobicContact CD2-CD1 3.7Å; L951-I1015 HydrophobicContact CG-CD1 4.1Å; L954-I1015 HydrophobicContact CD2-CD1 4.16Å; L954-I1015 HydrophobicContact CD2-CG1 4.16Å; I974-I1015 HydrophobicContact CB-CB 4.46Å; I974-I1015 HydrophobicContact CB-CG1 4.1Å; I974-I1015 HydrophobicContact CB-CG2 4.46Å; I974-I1015 HydrophobicContact CD1-CG1 3.82Å; I974-I1015 HydrophobicContact CG2-CB 4.44Å; I974-I1015 HydrophobicContact CG2-CG1 4.23Å; I974-I1015 HydrophobicContact CG2-CG2 3.94Å; I976-I1015 HydrophobicContact CD1-CG2 3.43Å; I976-I1015 VanDerWaalsContact CD1-CG2 3.43Å; I976-I1015 HydrophobicContact CG1-CG2 4.05Å; I1015-V1017 HydrophobicContact CG2-CG1 4Å; I1015-W1051 WeakPolarHBondContact O-CA 3.48Å; I1015-L1052 HydrophobicContact CB-CB 4.05Å; I1015-L1052 HydrophobicContact CD1-CD2 4.27Å; I1015-L1052 HydrophobicContact CG2-CB 3.92Å; I1015-L1052 HydrophobicContact CG2-CD2 4.09Å; I1015-L1052 PolarHBondContact O-N 3.11Å
1016	H	95.1	Very high	91.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.9	-178.7	-169.8	-151.3	0	0	0	110.7	I974 G975 I976 M1006 T1009 R1036 I1039 T1049 Y1050 W1051	I974-H1016 WeakPolarHBondContact O-CB 3.15Å; I974-H1016 PolarHBondContact O-N 3.48Å; G975-H1016 CarbonylContact C-O 3.48Å; G975-H1016 WeakPolarHBondContact CA-O 3.49Å; I976-H1016 PolarHBondContact N-O 3.37Å; M1006-H1016 PolarHBondContact O-ND1 3.24Å; T1009-H1016 PolarHBondContact OG1-CE1 2.54Å; T1009-H1016 VanDerWaalsContact OG1-CE1 3.31Å; T1009-H1016 PolarHBondContact OG1-ND1 3.45Å; H1016-R1036 PolarHBondContact CE1-NH1 3.03Å; H1016-R1036 PolarHBondContact ND1-NH1 3.32Å; H1016-R1036 PolarHBondContact NE2-NH1 3.45Å; H1016-I1039 VanDerWaalsContact CE1-CD1 3.44Å; H1016-I1039 WeakPolarHBondContact CE1-CD1 3.25Å; H1016-T1049 WeakPolarHBondContact NE2-CB 3.38Å; H1016-T1049 PolarHBondContact NE2-OG1 3Å; H1016-Y1050 PolarHBondContact CD2-O 2.83Å; H1016-W1051 HydrophobicContact CB-CE3 4.11Å; H1016-W1051 HydrophobicContact CB-CH2 4.38Å; H1016-W1051 HydrophobicContact CB-CZ3 3.61Å; H1016-W1051 AromaticContact CG-CZ3 3.98Å
1017	V	94.8	Very high	90.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142.5	-176.8	-48.5	0	0	0	0	112.1	I976 I1015 T1021 L1033 Y1050 L1052	I976-V1017 HydrophobicContact CB-CG1 4.04Å; I976-V1017 HydrophobicContact CD1-CG1 4.07Å; I976-V1017 HydrophobicContact CG1-CG1 4.34Å; I1015-V1017 HydrophobicContact CG2-CG1 4Å; V1017-T1021 HydrophobicContact CB-CG2 4.29Å; V1017-L1033 HydrophobicContact CG2-CD2 3.72Å; V1017-Y1050 PolarHBondContact N-O 3.26Å; V1017-Y1050 PolarHBondContact O-N 3.06Å; V1017-L1052 HydrophobicContact CG1-CB 4.03Å
1018	S	93.9	Very high	90.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	163.5	175.2	70.9	0	0	0	0	113.2	I976 H977 A1020 T1021 R1022	I976-S1018 PolarHBondContact O-N 2.83Å; H977-S1018 VanDerWaalsContact ND1-CB 3.27Å; H977-S1018 WeakPolarHBondContact ND1-CB 3.35Å; H977-S1018 PolarHBondContact ND1-OG 2.74Å; S1018-A1020 VanDerWaalsContact C-N 3.28Å; S1018-A1020 PolarHBondContact O-N 2.87Å; S1018-T1021 PolarHBondContact O-N 2.91Å; S1018-T1021 PolarHBondContact OG-N 3.28Å; S1018-T1021 PolarHBondContact OG-OG1 3.2Å; S1018-T1021 VanDerWaalsContact OG-OG1 3.07Å; S1018-R1022 PolarHBondContact O-N 2.92Å
1019	E	91.4	Very high	89.9	Confident	39 Å²	39	45.1 Å²	45.1	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-55.2	-41.1	170.8	-176.2	70.1	-147.3	0	0	112.8	T1021 R1022 Q1023 R1048 Y1050	E1019-T1021 VanDerWaalsContact C-N 3.35Å; E1019-T1021 PolarHBondContact O-N 2.99Å; E1019-R1022 WeakPolarHBondContact O-CB 3.46Å; E1019-R1022 PolarHBondContact O-N 3.45Å; E1019-Q1023 WeakPolarHBondContact O-CG 3.31Å; E1019-Q1023 PolarHBondContact O-N 2.91Å; E1019-R1048 IonicContact OE1-CZ 3.88Å; E1019-R1048 IonicContact OE1-NH2 2.83Å; E1019-R1048 PolarHBondContact OE1-NH2 3.41Å; E1019-R1048 IonicContact OE2-CZ 3.2Å; E1019-R1048 IonicContact OE2-NE 2.75Å; E1019-R1048 PolarHBondContact OE2-NE 3.28Å; E1019-R1048 IonicContact OE2-NH2 2.87Å; E1019-R1048 PolarHBondContact OE2-NH2 2.03Å; E1019-Y1050 HydrophobicContact CB-CE2 4.41Å; E1019-Y1050 WeakPolarHBondContact OE2-CE2 3.41Å; E1019-Y1050 VanDerWaalsContact OE2-CZ 3.22Å; E1019-Y1050 PolarHBondContact OE2-OH 3.3Å
1020	A	91.8	Very high	89.6	Confident	35 Å²	35	44.1 Å²	44.1	29%	0.289	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-43.3	179.6	0	0	0	0	0	111.6	S978 S1018 Q1023 V1024	S978-A1020 WeakPolarHBondContact O-CB 3.46Å; S1018-A1020 VanDerWaalsContact C-N 3.28Å; S1018-A1020 PolarHBondContact O-N 2.87Å; A1020-Q1023 PolarHBondContact O-N 2.75Å; A1020-V1024 PolarHBondContact O-N 3.33Å
1021	T	93.2	Very high	89.7	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.239	C	C	.	.	H	α-helix	trans	-65.9	-39.6	175.7	-54.2	0	0	0	0	111.8	I976 H977 S978 V1017 S1018 E1019 Q1023 V1024 L1025	I976-T1021 HydrophobicContact CB-CG2 4.47Å; I976-T1021 HydrophobicContact CG2-CG2 3.8Å; H977-T1021 VanDerWaalsContact C-OG1 3.27Å; H977-T1021 WeakPolarHBondContact CA-OG1 3.22Å; S978-T1021 PolarHBondContact N-OG1 2.96Å; S978-T1021 WeakPolarHBondContact OG-CA 3.49Å; S978-T1021 PolarHBondContact OG-OG1 2.92Å; V1017-T1021 HydrophobicContact CB-CG2 4.29Å; S1018-T1021 PolarHBondContact O-N 2.91Å; S1018-T1021 PolarHBondContact OG-N 3.28Å; S1018-T1021 PolarHBondContact OG-OG1 3.2Å; S1018-T1021 VanDerWaalsContact OG-OG1 3.07Å; E1019-T1021 VanDerWaalsContact C-N 3.35Å; E1019-T1021 PolarHBondContact O-N 2.99Å; T1021-Q1023 VanDerWaalsContact C-N 3.29Å; T1021-Q1023 PolarHBondContact O-N 3.37Å; T1021-V1024 PolarHBondContact O-N 3.44Å; T1021-L1025 HydrophobicContact CG2-CD1 4.03Å; T1021-L1025 HydrophobicContact CG2-CG 4.32Å; T1021-L1025 WeakPolarHBondContact O-CG 3.29Å; T1021-L1025 PolarHBondContact O-N 3.12Å
1022	R	91.5	Very high	89.7	Confident	69 Å²	69	45 Å²	45	26%	0.26	24%	0.24	S	C	.	.	H	α-helix	trans	-55.3	-45.4	173.5	165.2	-178.2	174.6	179.2	6.1	111.2	S1018 E1019 V1024 L1025 Q1026 L1033 Y1050	S1018-R1022 PolarHBondContact O-N 2.92Å; E1019-R1022 WeakPolarHBondContact O-CB 3.46Å; E1019-R1022 PolarHBondContact O-N 3.45Å; R1022-V1024 VanDerWaalsContact C-N 3.31Å; R1022-V1024 PolarHBondContact O-N 3.33Å; R1022-L1025 PolarHBondContact O-N 3.3Å; R1022-Q1026 VanDerWaalsContact O-CB 3.31Å; R1022-Q1026 WeakPolarHBondContact O-CB 3.22Å; R1022-Q1026 PolarHBondContact O-N 3.36Å; R1022-L1033 HydrophobicContact CB-CD1 3.98Å; R1022-L1033 HydrophobicContact CG-CD1 3.76Å; R1022-Y1050 HydrophobicContact CB-CD2 3.96Å; R1022-Y1050 HydrophobicContact CB-CE2 4.11Å; R1022-Y1050 VanDerWaalsContact CD-CE2 3.43Å; R1022-Y1050 HydrophobicContact CG-CD2 4.44Å; R1022-Y1050 HydrophobicContact CG-CE2 4.35Å; R1022-Y1050 PolarHBondContact NH1-OH 2.75Å
1023	Q	90.4	Very high	89.7	Confident	115 Å²	115	45.6 Å²	45.6	54%	0.537	24%	0.237	S	C	.	.	H	α-helix	trans	-60.5	-42.4	-178.9	-70.4	174.7	3.6	0	0	111.5	E1019 A1020 T1021 Q1026	E1019-Q1023 WeakPolarHBondContact O-CG 3.31Å; E1019-Q1023 PolarHBondContact O-N 2.91Å; A1020-Q1023 PolarHBondContact O-N 2.75Å; T1021-Q1023 VanDerWaalsContact C-N 3.29Å; T1021-Q1023 PolarHBondContact O-N 3.37Å; Q1023-Q1026 PolarHBondContact O-N 3.4Å
1024	V	90.4	Very high	89.8	Confident	17 Å²	17	48.2 Å²	48.2	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-63.4	-43.5	175.3	179.3	0	0	0	0	111.5	A1020 T1021 R1022 F1028	A1020-V1024 PolarHBondContact O-N 3.33Å; T1021-V1024 PolarHBondContact O-N 3.44Å; R1022-V1024 VanDerWaalsContact C-N 3.31Å; R1022-V1024 PolarHBondContact O-N 3.33Å; V1024-F1028 WeakPolarHBondContact O-CD2 3.41Å; V1024-F1028 WeakPolarHBondContact O-CE2 3.11Å
1025	L	89.4	Confident	89.8	Confident	2 Å²	2	49 Å²	49	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-71.4	-30.9	-179.2	-67.2	176.9	0	0	0	113.3	G943 A947 T1021 R1022 E1027 F1028 F1031 L1033	G943-L1025 WeakPolarHBondContact O-CD2 2.98Å; A947-L1025 HydrophobicContact CB-CD1 4.23Å; A947-L1025 HydrophobicContact CB-CD2 3.73Å; T1021-L1025 HydrophobicContact CG2-CD1 4.03Å; T1021-L1025 HydrophobicContact CG2-CG 4.32Å; T1021-L1025 WeakPolarHBondContact O-CG 3.29Å; T1021-L1025 PolarHBondContact O-N 3.12Å; R1022-L1025 PolarHBondContact O-N 3.3Å; L1025-E1027 PolarHBondContact O-N 3.3Å; L1025-F1028 PolarHBondContact O-N 3.01Å; L1025-F1028 VanDerWaalsContact O-N 3.15Å; L1025-F1031 HydrophobicContact CB-CD2 4.22Å; L1025-F1031 HydrophobicContact CD2-CD2 3.76Å; L1025-F1031 HydrophobicContact CD2-CE2 3.77Å; L1025-F1031 HydrophobicContact CD2-CG 4.29Å; L1025-F1031 HydrophobicContact CD2-CZ 4.31Å; L1025-F1031 HydrophobicContact CG-CD2 4.47Å; L1025-L1033 HydrophobicContact CB-CD1 4.35Å; L1025-L1033 HydrophobicContact CD1-CD1 4.47Å; L1025-L1033 HydrophobicContact CD1-CD2 4.42Å
1026	Q	86.4	Confident	89.5	Confident	119 Å²	119	52.4 Å²	52.4	56%	0.556	27%	0.269	S	S	*	.	H	α-helix	trans	-64.8	-26.3	-178.4	-173	168.3	-11.3	0	0	112.4	R1022 Q1023 F1028 G1029	R1022-Q1026 VanDerWaalsContact O-CB 3.31Å; R1022-Q1026 WeakPolarHBondContact O-CB 3.22Å; R1022-Q1026 PolarHBondContact O-N 3.36Å; Q1023-Q1026 PolarHBondContact O-N 3.4Å; Q1026-F1028 PolarHBondContact O-N 3.19Å; Q1026-G1029 PolarHBondContact O-N 2.71Å
1027	E	82.8	Confident	89.1	Confident	116 Å²	116	53.6 Å²	53.6	54%	0.542	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.7	176.1	-66.8	-174.1	-154.6	0	0	113.5	K940 L1025	K940-E1027 WeakPolarHBondContact CD-OE2 3.48Å; K940-E1027 WeakPolarHBondContact CE-OE2 3.05Å; K940-E1027 IonicContact NZ-OE1 3.19Å; K940-E1027 PolarHBondContact NZ-OE1 3.1Å; K940-E1027 IonicContact NZ-OE2 3.93Å; K940-E1027 PolarHBondContact NZ-OE2 3.22Å; L1025-E1027 PolarHBondContact O-N 3.3Å
1028	F	84	Confident	88.7	Confident	67 Å²	67	59.9 Å²	59.9	29%	0.294	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-22	178.8	-61.7	-80.3	0	0	0	113	K940 R944 V1024 L1025 Q1026 S1030 F1031	K940-F1028 HydrophobicContact CB-CZ 4.37Å; K940-F1028 WeakPolarHBondContact O-CE2 3.19Å; K940-F1028 WeakPolarHBondContact O-CZ 3.48Å; R944-F1028 HydrophobicContact CB-CD2 4.37Å; R944-F1028 HydrophobicContact CB-CE1 4.44Å; R944-F1028 HydrophobicContact CB-CE2 4.15Å; R944-F1028 HydrophobicContact CB-CZ 4.18Å; V1024-F1028 WeakPolarHBondContact O-CD2 3.41Å; V1024-F1028 WeakPolarHBondContact O-CE2 3.11Å; L1025-F1028 PolarHBondContact O-N 3.01Å; L1025-F1028 VanDerWaalsContact O-N 3.15Å; Q1026-F1028 PolarHBondContact O-N 3.19Å; F1028-S1030 PolarHBondContact O-N 2.86Å; F1028-F1031 HydrophobicContact CB-CE2 4.47Å
1029	G	77.7	Confident	88.4	Confident	66 Å²	66	61.1 Å²	61.1	68%	0.68	32%	0.317	S	S	*	.			trans	66.6	-1.5	176.9	0	0	0	0	0	116.6	Q1026	Q1026-G1029 PolarHBondContact O-N 2.71Å
1030	S	83.9	Confident	88.1	Confident	19 Å²	19	67 Å²	67	13%	0.133	34%	0.344	C	S	.	.			trans	-92.4	-18.3	-176.2	62.1	0	0	0	0	114.7	F1028 E1055 N1056	F1028-S1030 PolarHBondContact O-N 2.86Å; S1030-E1055 CarbonylContact O-C 3.57Å; S1030-E1055 WeakPolarHBondContact O-CA 3.43Å; S1030-E1055 PolarHBondContact OG-OE1 2.86Å; S1030-N1056 PolarHBondContact O-N 2.92Å
1031	F	89.7	Confident	87.8	Confident	23 Å²	23	65.4 Å²	65.4	10%	0.101	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.8	-172.6	-64.9	-79.7	0	0	0	113.8	R944 A947 R948 L1025 F1028 L1052 E1055	R944-F1031 HydrophobicContact CB-CE2 4.33Å; R944-F1031 HydrophobicContact CB-CZ 4.43Å; R944-F1031 HydrophobicContact CG-CE2 3.97Å; R944-F1031 HydrophobicContact CG-CZ 3.87Å; A947-F1031 HydrophobicContact CB-CD1 4.18Å; A947-F1031 HydrophobicContact CB-CE1 3.65Å; A947-F1031 HydrophobicContact CB-CZ 3.89Å; R948-F1031 HydrophobicContact CG-CE1 4.17Å; R948-F1031 HydrophobicContact CG-CZ 4.07Å; L1025-F1031 HydrophobicContact CB-CD2 4.22Å; L1025-F1031 HydrophobicContact CD2-CD2 3.76Å; L1025-F1031 HydrophobicContact CD2-CE2 3.77Å; L1025-F1031 HydrophobicContact CD2-CG 4.29Å; L1025-F1031 HydrophobicContact CD2-CZ 4.31Å; L1025-F1031 HydrophobicContact CG-CD2 4.47Å; F1028-F1031 HydrophobicContact CB-CE2 4.47Å; F1031-L1052 HydrophobicContact CB-CD1 3.97Å; F1031-L1052 HydrophobicContact CD1-CD1 3.99Å; F1031-L1052 HydrophobicContact CG-CD1 4.35Å; F1031-E1055 HydrophobicContact CD1-CB 4.05Å; F1031-E1055 HydrophobicContact CD1-CG 4.11Å; F1031-E1055 HydrophobicContact CE1-CB 4.07Å; F1031-E1055 HydrophobicContact CE1-CG 4Å; F1031-E1055 HydrophobicContact CZ-CG 4.47Å
1032	Q	90.1	Very high	87.1	Confident	84 Å²	84	73.2 Å²	73.2	39%	0.393	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	111.3	175	-61.4	-175.3	9	0	0	110.9	L1053 G1054 N1056	Q1032-L1053 HydrophobicContact CB-CB 4.3Å; Q1032-L1053 PolarHBondContact O-N 3.3Å; Q1032-G1054 PolarHBondContact N-O 3.49Å; Q1032-N1056 PolarHBondContact NE2-OD1 3.23Å
1033	L	91.1	Very high	86.4	Confident	49 Å²	49	73.8 Å²	73.8	26%	0.257	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.1	179.9	-67.2	169.7	0	0	0	111.1	V1017 R1022 L1025 W1051 L1052	V1017-L1033 HydrophobicContact CG2-CD2 3.72Å; R1022-L1033 HydrophobicContact CB-CD1 3.98Å; R1022-L1033 HydrophobicContact CG-CD1 3.76Å; L1025-L1033 HydrophobicContact CB-CD1 4.35Å; L1025-L1033 HydrophobicContact CD1-CD1 4.47Å; L1025-L1033 HydrophobicContact CD1-CD2 4.42Å; L1033-W1051 CarbonylContact C-O 3.43Å; L1033-W1051 WeakPolarHBondContact CA-O 3.41Å; L1033-L1052 HydrophobicContact CD2-CB 3.98Å; L1033-L1052 HydrophobicContact CD2-CD1 3.74Å; L1033-L1052 HydrophobicContact CD2-CG 4.49Å; L1033-L1052 HydrophobicContact CG-CD1 4.43Å
1034	Q	92.5	Very high	85.9	Confident	106 Å²	106	72.4 Å²	72.4	50%	0.495	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131	175.6	-176.1	-179	16.1	0	0	110.6	R1036 Y1050 W1051 L1053	Q1034-R1036 PolarHBondContact O-N 3.18Å; Q1034-Y1050 CarbonylContact O-C 3.55Å; Q1034-Y1050 WeakPolarHBondContact O-CA 3.41Å; Q1034-Y1050 WeakPolarHBondContact O-CB 3.31Å; Q1034-W1051 HydrophobicContact CB-CB 4.39Å; Q1034-W1051 PolarHBondContact N-O 3.2Å; Q1034-W1051 PolarHBondContact O-N 2.72Å; Q1034-L1053 HydrophobicContact CB-CD1 3.93Å; Q1034-L1053 HydrophobicContact CB-CG 4.35Å
1035	L	91.1	Very high	85.6	Confident	101 Å²	101	73.3 Å²	73.3	53%	0.529	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	124.2	176.1	179.6	66.3	0	0	0	110.4	R1048 Y1050	L1035-R1048 HydrophobicContact CD1-CG 3.67Å; L1035-Y1050 HydrophobicContact CB-CD1 4.16Å; L1035-Y1050 HydrophobicContact CB-CE1 4.04Å; L1035-Y1050 HydrophobicContact CD1-CD1 4.04Å; L1035-Y1050 HydrophobicContact CD1-CE1 3.43Å; L1035-Y1050 VanDerWaalsContact CD1-CE1 3.43Å; L1035-Y1050 HydrophobicContact CG-CE1 4.33Å
1036	R	87.2	Confident	85.4	Confident	72 Å²	72	82.5 Å²	82.5	27%	0.272	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	-36.4	173.3	-176.7	-179.2	-177.8	179	1.3	111.7	T1009 H1016 Q1034 I1039 T1049 W1051	T1009-R1036 VanDerWaalsContact O-CZ 3.26Å; T1009-R1036 PolarHBondContact O-NH1 3Å; T1009-R1036 PolarHBondContact O-NH2 2.77Å; H1016-R1036 PolarHBondContact CE1-NH1 3.03Å; H1016-R1036 PolarHBondContact ND1-NH1 3.32Å; H1016-R1036 PolarHBondContact NE2-NH1 3.45Å; Q1034-R1036 PolarHBondContact O-N 3.18Å; R1036-I1039 HydrophobicContact CG-CG2 4.48Å; R1036-T1049 WeakPolarHBondContact CB-O 3.41Å; R1036-T1049 PolarHBondContact N-O 2.98Å; R1036-W1051 VanDerWaalsContact CD-CZ2 3.43Å; R1036-W1051 HydrophobicContact CG-CZ2 4.05Å; R1036-W1051 VanDerWaalsContact NE-CZ2 3.32Å
1037	G	87.1	Confident	85.5	Confident	25 Å²	25	78.8 Å²	78.8	26%	0.258	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	118.6	-167.1	-173.9	0	0	0	0	0	111.8	T1049	G1037-T1049 PolarHBondContact O-N 3.48Å; G1037-T1049 VanDerWaalsContact O-N 3.15Å
1038	E	86.9	Confident	85.8	Confident	132 Å²	132	78.8 Å²	78.8	62%	0.617	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	123.3	171.1	-69.1	-171.2	171.4	0	0	110.2	M1047	E1038-M1047 WeakPolarHBondContact CA-O 3.24Å
1039	I	88.1	Confident	86.3	Confident	26 Å²	26	75.6 Å²	75.6	13%	0.133	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	144.7	174.8	59.4	158	0	0	0	110.3	H1016 R1036 V1041 R1046 M1047 T1049	H1016-I1039 VanDerWaalsContact CE1-CD1 3.44Å; H1016-I1039 WeakPolarHBondContact CE1-CD1 3.25Å; R1036-I1039 HydrophobicContact CG-CG2 4.48Å; I1039-V1041 HydrophobicContact CD1-CG2 3.67Å; I1039-V1041 HydrophobicContact CG1-CG2 3.86Å; I1039-V1041 PolarHBondContact O-N 3.05Å; I1039-R1046 WeakPolarHBondContact O-CA 3.06Å; I1039-M1047 PolarHBondContact N-O 3.32Å; I1039-M1047 PolarHBondContact O-N 3.48Å; I1039-T1049 HydrophobicContact CD1-CG2 3.82Å; I1039-T1049 HydrophobicContact CG1-CG2 3.83Å
1040	E	85.6	Confident	87	Confident	163 Å²	163	72.6 Å²	72.6	76%	0.762	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	110.5	174.2	-169.2	168.5	-169.5	0	0	109.8
1041	V	85.3	Confident	87.5	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.006	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	121.3	-179.6	179	0	0	0	0	109	R1005 M1006 I1039 G1043 K1044 G1045 M1047	R1005-V1041 HydrophobicContact CB-CG1 3.66Å; R1005-V1041 HydrophobicContact CG-CG1 3.96Å; M1006-V1041 HydrophobicContact CE-CG1 4.43Å; M1006-V1041 HydrophobicContact CE-CG2 3.88Å; I1039-V1041 HydrophobicContact CD1-CG2 3.67Å; I1039-V1041 HydrophobicContact CG1-CG2 3.86Å; I1039-V1041 PolarHBondContact O-N 3.05Å; V1041-G1043 PolarHBondContact O-N 3.37Å; V1041-G1043 VanDerWaalsContact O-N 3.12Å; V1041-K1044 HydrophobicContact CB-CB 4.08Å; V1041-K1044 HydrophobicContact CG1-CB 4.05Å; V1041-K1044 HydrophobicContact CG1-CG 4.11Å; V1041-K1044 PolarHBondContact O-N 3.26Å; V1041-G1045 PolarHBondContact N-O 3.11Å; V1041-G1045 PolarHBondContact O-N 2.8Å; V1041-M1047 HydrophobicContact CB-CG 4.34Å; V1041-M1047 HydrophobicContact CB-SD 3.96Å; V1041-M1047 HydrophobicContact CG1-SD 4.19Å; V1041-M1047 HydrophobicContact CG2-CB 4.07Å; V1041-M1047 HydrophobicContact CG2-CG 4.18Å; V1041-M1047 HydrophobicContact CG2-SD 3.94Å
1042	K	77.7	Confident	87.7	Confident	166 Å²	166	71.7 Å²	71.7	72%	0.722	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	118.6	-178.9	-173	177.9	-178.5	177.6	0	111	K1044	K1042-K1044 VanDerWaalsContact C-N 3.35Å
1043	G	77.5	Confident	87.7	Confident	80 Å²	80	72.3 Å²	72.3	83%	0.825	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	-1.1	-179.8	0	0	0	0	0	115.5	V1041	V1041-G1043 PolarHBondContact O-N 3.37Å; V1041-G1043 VanDerWaalsContact O-N 3.12Å
1044	K	79.4	Confident	87.6	Confident	86 Å²	86	70.6 Å²	70.6	37%	0.374	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-16.3	177.2	-62.7	-67.1	173.9	-169.4	0	114.3	D998 T1002 V1041 K1042 M1047	D998-K1044 WeakPolarHBondContact OD1-CE 3.39Å; D998-K1044 IonicContact OD1-NZ 2.69Å; D998-K1044 PolarHBondContact OD1-NZ 3.48Å; D998-K1044 WeakPolarHBondContact OD2-CE 3.16Å; D998-K1044 IonicContact OD2-NZ 2.57Å; D998-K1044 PolarHBondContact OD2-NZ 2.81Å; T1002-K1044 WeakPolarHBondContact OG1-CE 3.43Å; V1041-K1044 HydrophobicContact CB-CB 4.08Å; V1041-K1044 HydrophobicContact CG1-CB 4.05Å; V1041-K1044 HydrophobicContact CG1-CG 4.11Å; V1041-K1044 PolarHBondContact O-N 3.26Å; K1042-K1044 VanDerWaalsContact C-N 3.35Å; K1044-M1047 HydrophobicContact CB-CG 4.12Å; K1044-M1047 HydrophobicContact CB-SD 3.52Å; K1044-M1047 VanDerWaalsContact CB-SD 3.52Å; K1044-M1047 HydrophobicContact CG-SD 3.92Å
1045	G	84.5	Confident	87.4	Confident	36 Å²	36	68.2 Å²	68.2	37%	0.371	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-152.4	-175.3	0	0	0	0	0	111.6	V1041 M1047	V1041-G1045 PolarHBondContact N-O 3.11Å; V1041-G1045 PolarHBondContact O-N 2.8Å; G1045-M1047 PolarHBondContact O-N 3.27Å
1046	R	85.8	Confident	86.9	Confident	196 Å²	196	67.2 Å²	67.2	74%	0.74	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	121.4	178.5	-67.7	-175.7	-178.6	175.9	0.9	110.3	I1039	I1039-R1046 WeakPolarHBondContact O-CA 3.06Å
1047	M	86.9	Confident	85.6	Confident	41 Å²	41	73.2 Å²	73.2	20%	0.202	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.2	177.6	-67.7	-174.7	69.7	0	0	110.4	T1002 E1038 I1039 V1041 K1044 G1045 T1049	T1002-M1047 HydrophobicContact CG2-CE 4.19Å; E1038-M1047 WeakPolarHBondContact CA-O 3.24Å; I1039-M1047 PolarHBondContact N-O 3.32Å; I1039-M1047 PolarHBondContact O-N 3.48Å; V1041-M1047 HydrophobicContact CB-CG 4.34Å; V1041-M1047 HydrophobicContact CB-SD 3.96Å; V1041-M1047 HydrophobicContact CG1-SD 4.19Å; V1041-M1047 HydrophobicContact CG2-CB 4.07Å; V1041-M1047 HydrophobicContact CG2-CG 4.18Å; V1041-M1047 HydrophobicContact CG2-SD 3.94Å; K1044-M1047 HydrophobicContact CB-CG 4.12Å; K1044-M1047 HydrophobicContact CB-SD 3.52Å; K1044-M1047 VanDerWaalsContact CB-SD 3.52Å; K1044-M1047 HydrophobicContact CG-SD 3.92Å; G1045-M1047 PolarHBondContact O-N 3.27Å; M1047-T1049 HydrophobicContact CB-CG2 4.47Å
1048	R	90.6	Very high	83.6	Confident	115 Å²	115	80.7 Å²	80.7	43%	0.434	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	128.1	172.1	-166.7	172.8	72.1	170.9	11.4	110.1	E1019 L1035 Y1050	E1019-R1048 IonicContact OE1-CZ 3.88Å; E1019-R1048 IonicContact OE1-NH2 2.83Å; E1019-R1048 PolarHBondContact OE1-NH2 3.41Å; E1019-R1048 IonicContact OE2-CZ 3.2Å; E1019-R1048 IonicContact OE2-NE 2.75Å; E1019-R1048 PolarHBondContact OE2-NE 3.28Å; E1019-R1048 IonicContact OE2-NH2 2.87Å; E1019-R1048 PolarHBondContact OE2-NH2 2.03Å; L1035-R1048 HydrophobicContact CD1-CG 3.67Å; R1048-Y1050 PolarHBondContact NE-OH 3.33Å; R1048-Y1050 PolarHBondContact NH2-OH 2.99Å; R1048-Y1050 VanDerWaalsContact NH2-OH 3.1Å
1049	T	92.8	Very high	81.1	Confident	0 Å²	0	86 Å²	86	0%	0	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	168.6	-176.4	65.5	0	0	0	0	113.3	M1006 H1016 R1036 G1037 I1039 M1047	M1006-T1049 HydrophobicContact CE-CG2 4.34Å; M1006-T1049 HydrophobicContact SD-CG2 3.82Å; H1016-T1049 WeakPolarHBondContact NE2-CB 3.38Å; H1016-T1049 PolarHBondContact NE2-OG1 3Å; R1036-T1049 WeakPolarHBondContact CB-O 3.41Å; R1036-T1049 PolarHBondContact N-O 2.98Å; G1037-T1049 PolarHBondContact O-N 3.48Å; G1037-T1049 VanDerWaalsContact O-N 3.15Å; I1039-T1049 HydrophobicContact CD1-CG2 3.82Å; I1039-T1049 HydrophobicContact CG1-CG2 3.83Å; M1047-T1049 HydrophobicContact CB-CG2 4.47Å
1050	Y	93.9	Very high	80.7	Confident	3 Å²	3	89.1 Å²	89.1	1%	0.012	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158	-173	-53.5	-94.7	0	0	0	112.1	H1016 V1017 E1019 R1022 Q1034 L1035 R1048	H1016-Y1050 PolarHBondContact CD2-O 2.83Å; V1017-Y1050 PolarHBondContact N-O 3.26Å; V1017-Y1050 PolarHBondContact O-N 3.06Å; E1019-Y1050 HydrophobicContact CB-CE2 4.41Å; E1019-Y1050 WeakPolarHBondContact OE2-CE2 3.41Å; E1019-Y1050 VanDerWaalsContact OE2-CZ 3.22Å; E1019-Y1050 PolarHBondContact OE2-OH 3.3Å; R1022-Y1050 HydrophobicContact CB-CD2 3.96Å; R1022-Y1050 HydrophobicContact CB-CE2 4.11Å; R1022-Y1050 VanDerWaalsContact CD-CE2 3.43Å; R1022-Y1050 HydrophobicContact CG-CD2 4.44Å; R1022-Y1050 HydrophobicContact CG-CE2 4.35Å; R1022-Y1050 PolarHBondContact NH1-OH 2.75Å; Q1034-Y1050 CarbonylContact O-C 3.55Å; Q1034-Y1050 WeakPolarHBondContact O-CA 3.41Å; Q1034-Y1050 WeakPolarHBondContact O-CB 3.31Å; L1035-Y1050 HydrophobicContact CB-CD1 4.16Å; L1035-Y1050 HydrophobicContact CB-CE1 4.04Å; L1035-Y1050 HydrophobicContact CD1-CD1 4.04Å; L1035-Y1050 HydrophobicContact CD1-CE1 3.43Å; L1035-Y1050 VanDerWaalsContact CD1-CE1 3.43Å; L1035-Y1050 HydrophobicContact CG-CE1 4.33Å; R1048-Y1050 PolarHBondContact NE-OH 3.33Å; R1048-Y1050 PolarHBondContact NH2-OH 2.99Å; R1048-Y1050 VanDerWaalsContact NH2-OH 3.1Å
1051	W	94.7	Very high	80.5	Confident	15 Å²	15	85.2 Å²	85.2	6%	0.057	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.5	166.1	-59.5	116.6	0	0	0	109.8	E1011 K1014 I1015 H1016 L1033 Q1034 R1036 L1053	E1011-W1051 HydrophobicContact CB-CH2 3.78Å; E1011-W1051 HydrophobicContact CB-CZ2 4.36Å; E1011-W1051 HydrophobicContact CB-CZ3 4.42Å; E1011-W1051 HydrophobicContact CG-CH2 3.82Å; E1011-W1051 HydrophobicContact CG-CZ2 4.05Å; K1014-W1051 HydrophobicContact CB-CE3 3.7Å; K1014-W1051 HydrophobicContact CB-CH2 4.41Å; K1014-W1051 HydrophobicContact CB-CZ3 3.61Å; K1014-W1051 HydrophobicContact CD-CD2 4.15Å; K1014-W1051 HydrophobicContact CD-CE3 4.09Å; K1014-W1051 HydrophobicContact CD-CH2 4.37Å; K1014-W1051 HydrophobicContact CD-CZ2 4.4Å; K1014-W1051 HydrophobicContact CD-CZ3 4.19Å; I1015-W1051 WeakPolarHBondContact O-CA 3.48Å; H1016-W1051 HydrophobicContact CB-CE3 4.11Å; H1016-W1051 HydrophobicContact CB-CH2 4.38Å; H1016-W1051 HydrophobicContact CB-CZ3 3.61Å; H1016-W1051 AromaticContact CG-CZ3 3.98Å; L1033-W1051 CarbonylContact C-O 3.43Å; L1033-W1051 WeakPolarHBondContact CA-O 3.41Å; Q1034-W1051 HydrophobicContact CB-CB 4.39Å; Q1034-W1051 PolarHBondContact N-O 3.2Å; Q1034-W1051 PolarHBondContact O-N 2.72Å; R1036-W1051 VanDerWaalsContact CD-CZ2 3.43Å; R1036-W1051 HydrophobicContact CG-CZ2 4.05Å; R1036-W1051 VanDerWaalsContact NE-CZ2 3.32Å; W1051-L1053 HydrophobicContact CB-CD2 4.27Å
1052	L	93.4	Very high	80.2	Confident	8 Å²	8	89.8 Å²	89.8	4%	0.042	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.5	167.5	177.9	68	0	0	0	109	A947 L951 I1015 V1017 F1031 L1033	A947-L1052 HydrophobicContact CB-CD2 3.86Å; L951-L1052 HydrophobicContact CD1-CD2 4.49Å; L951-L1052 HydrophobicContact CD2-CG 4.46Å; L951-L1052 HydrophobicContact CG-CD2 4.31Å; I1015-L1052 HydrophobicContact CB-CB 4.05Å; I1015-L1052 HydrophobicContact CD1-CD2 4.27Å; I1015-L1052 HydrophobicContact CG2-CB 3.92Å; I1015-L1052 HydrophobicContact CG2-CD2 4.09Å; I1015-L1052 PolarHBondContact O-N 3.11Å; V1017-L1052 HydrophobicContact CG1-CB 4.03Å; F1031-L1052 HydrophobicContact CB-CD1 3.97Å; F1031-L1052 HydrophobicContact CD1-CD1 3.99Å; F1031-L1052 HydrophobicContact CG-CD1 4.35Å; L1033-L1052 HydrophobicContact CD2-CB 3.98Å; L1033-L1052 HydrophobicContact CD2-CD1 3.74Å; L1033-L1052 HydrophobicContact CD2-CG 4.49Å; L1033-L1052 HydrophobicContact CG-CD1 4.43Å
1053	L	89.6	Confident	80.4	Confident	97 Å²	97	85.4 Å²	85.4	51%	0.508	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-31.5	-174.2	-61.6	-179	0	0	0	113.2	Q1032 Q1034 W1051	Q1032-L1053 HydrophobicContact CB-CB 4.3Å; Q1032-L1053 PolarHBondContact O-N 3.3Å; Q1034-L1053 HydrophobicContact CB-CD1 3.93Å; Q1034-L1053 HydrophobicContact CB-CG 4.35Å; W1051-L1053 HydrophobicContact CB-CD2 4.27Å
1054	G	88.8	Confident	80.5	Confident	14 Å²	14	85.7 Å²	85.7	14%	0.144	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-178.2	-177.1	0	0	0	0	0	113	Q1032	Q1032-G1054 PolarHBondContact N-O 3.49Å
1055	E	87.8	Confident	80.6	Confident	55 Å²	55	85.7 Å²	85.7	26%	0.257	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.3	172.4	-170.4	174.8	-163.2	0	0	108.9	R948 L951 S1030 F1031	R948-E1055 WeakPolarHBondContact CG-OE2 3.41Å; R948-E1055 IonicContact CZ-OE1 3.53Å; R948-E1055 IonicContact CZ-OE2 3.81Å; R948-E1055 IonicContact NE-OE1 3.29Å; R948-E1055 PolarHBondContact NE-OE1 3.43Å; R948-E1055 VanDerWaalsContact NE-OE1 3.1Å; R948-E1055 IonicContact NE-OE2 3.88Å; R948-E1055 PolarHBondContact NE-OE2 2.94Å; R948-E1055 IonicContact NH2-OE1 2.71Å; R948-E1055 PolarHBondContact NH2-OE1 3.46Å; R948-E1055 IonicContact NH2-OE2 2.92Å; R948-E1055 PolarHBondContact NH2-OE2 3.27Å; L951-E1055 HydrophobicContact CD1-CB 4.25Å; S1030-E1055 CarbonylContact O-C 3.57Å; S1030-E1055 WeakPolarHBondContact O-CA 3.43Å; S1030-E1055 PolarHBondContact OG-OE1 2.86Å; F1031-E1055 HydrophobicContact CD1-CB 4.05Å; F1031-E1055 HydrophobicContact CD1-CG 4.11Å; F1031-E1055 HydrophobicContact CE1-CB 4.07Å; F1031-E1055 HydrophobicContact CE1-CG 4Å; F1031-E1055 HydrophobicContact CZ-CG 4.47Å
1056	N	82.3	Confident	80.3	Confident	81 Å²	81	89.2 Å²	89.2	43%	0.433	42%	0.418	S	S	.	.			trans	-76.7	120.4	171.7	-77.6	-35.7	0	0	0	109.2	S1030 Q1032 K1058	S1030-N1056 PolarHBondContact O-N 2.92Å; Q1032-N1056 PolarHBondContact NE2-OD1 3.23Å; N1056-K1058 PolarHBondContact O-N 3.22Å
1057	E	58.6	Low	79.9	Confident	198 Å²	198	81 Å²	81	93%	0.925	39%	0.393	S	S	*	.			trans	-71.1	77.9	165.4	-69.5	-175.1	167.3	0	0	109.7
1058	K	45.5	Very low	79.3	Confident	182 Å²	182	84.3 Å²	84.3	79%	0.791	41%	0.409	S	S	*	.			trans	-132.2	112.8	160.7	-79.2	-168.4	175.7	-179.3	0	109.5	N1056	N1056-K1058 PolarHBondContact O-N 3.22Å
1059	N	34.3	Very low	78.3	Confident	244 Å²	244	81.5 Å²	81.5	100%	1.305	41%	0.407	S	S	*	.			trans	89.3	0	179.1	-64.5	-7.6	0	0	0	116.9

Retrieved 1,059 of 1,059 residues in 3106.1 ms (Link to these results)

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