A0A087XV17_POEFO Loading...

Semaphorin 4D

AlphaFold DB , UniProt , Accession A0A087XV17, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 892 aa.

						>A0A087XV17_POEFO|A0A087XV17
SSLQQPISKGNFTVPKLSESNMGFGVLGVFLGLLLEVSTHGPHSVPRTSWKRQDLDLLEFSEPGIFNYSTLLLSEERDALYVGARDAIFELNKRNVTVRNQKVQWKVAEHPMVMCTRKGKSRERDCPNYIRVLQIVDDKRLYICGTHAFQPQCDYLNLADFSLEGRPEDGRGKCSFDPSQSFTAVMVDGDLYSGTAYNFLGSEPIISRYSPSYPLLRTEYSTSWLNEPSFVFADVIRAEKHRGDGEDDKIYYFFTEVSVEYEFFGKLLIPRVARVCKGDLGGERTLQKKWTSFLKAKLVCSMPELNFVFNVVHDVFILKGRDWRDTVFYGVFTSQWGNVGLSAVCAYNMAAVEEVFSKGKYMQKATVEQSHTKWVRYNGIPPSPRPGACISNQLRQHNISSSLHLPDKTLQFVRDHPLLEDPVLPIGNRPRLITKDVNYTQIVVERVQALDGNIYDVIFTGTDKGVLHKSVVFEEDVHIVEEIQLLKNSEPIKNLLLSSETRSVYAGSDSGVIQSPTAFCGKYSTCDDCVLARDPYCAWDPNTAACVCILDVPKEQLSRSLIQSLSGDADICPPVSSVSLKDYQKVLVKPGSSAELPCMVNSNLAHVMWKSNNTLLDEASRFHFIGENGLLIYSVAPEDQGDYQCWSVEWAPTVGKNFSRLLAGYTLKLDLPPGPPARTNRLATTVRSQETSSVLPAEGNGKTERQPLTSASFTSTVLLTTPPQTDPSLTPPPSGTVRLQPNSQDPAAEYLQHNNSVALLSLFLLFFLLFLAAMVYNCYMQYLPAPCLRLRATLLGSNKCTHQPEYRACEAGLMEASAAEKINMTEQPAQNGSQPTKNLQALRDTGYETEPECGNGRLPSHNFGGDSSSQEKPFDVDCDSQSIQFADADDAY
					

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(Predicted Aligned Error values between residue pairs)

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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	S	32.3	Very low	28.5	Very low	162 Å²	162	140.1 Å²	140.1	100%	1.133	81%	0.806	S	S	*	*				0	103.6	0	17.3	0	0	0	0	107.8
2	S	28.1	Very low	28.4	Very low	101 Å²	101	146.1 Å²	146.1	71%	0.706	82%	0.816	S	S	*	*				65.5	106.3	70.1	75.6	0	0	0	0	109.4
3	L	29	Very low	28.5	Very low	150 Å²	150	144.7 Å²	144.7	79%	0.785	81%	0.814	S	S	*	*			cis	-158	178.6	43.6	-101.5	51.3	0	0	0	107.7
4	Q	27.8	Very low	28.6	Very low	166 Å²	166	143.6 Å²	143.6	78%	0.776	81%	0.812	S	S	*	*			cis	-176.3	149.1	-25.5	168.2	170.5	-2.7	0	0	108.4
5	Q	28.4	Very low	28.8	Very low	164 Å²	164	141.3 Å²	141.3	77%	0.766	81%	0.805	S	S	*	*			trans	-84.2	155.3	169.2	-77	-173.6	-20	0	0	111.7
6	P	34.4	Very low	28.9	Very low	115 Å²	115	145.4 Å²	145.4	75%	0.747	81%	0.811	S	S	*	*				-149.3	131.5	100.7	34.1	-15.4	0	0	0	117.5
7	I	28.2	Very low	28.9	Very low	155 Å²	155	145.6 Å²	145.6	80%	0.795	81%	0.809	S	S	*	*				33.3	122.2	126.5	-51.2	165.2	0	0	0	119.6
8	S	25.5	Very low	29.1	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	80%	0.8	S	S	*	*			trans	-166.6	122.8	134.9	-174.7	0	0	0	0	114.4
9	K	28	Very low	29.7	Very low	195 Å²	195	144.6 Å²	144.6	85%	0.848	80%	0.802	S	S	*	*			trans	54.1	108	151.8	-64	174.9	-175.2	-179.3	0	119.7
10	G	26.3	Very low	30.2	Very low	74 Å²	74	140.8 Å²	140.8	76%	0.763	79%	0.786	S	S	*	*			trans	-84.6	148.8	159.4	0	0	0	0	0	112.6
11	N	25.1	Very low	30.5	Very low	160 Å²	160	139.6 Å²	139.6	86%	0.856	78%	0.778	S	S	*	*			trans	-112.2	113.8	160.7	-90.2	-12.6	0	0	0	107.6	T13	N11-T13 PolarHBondContact O-N 3.38Å
12	F	27.4	Very low	30.8	Very low	212 Å²	212	138.3 Å²	138.3	93%	0.93	76%	0.755	S	S	*	*			trans	-75.3	111.2	168.4	-97.2	-92.5	0	0	0	109.1
13	T	29.5	Very low	31.3	Very low	128 Å²	128	135.3 Å²	135.3	79%	0.785	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-83	122.9	163.1	32.7	0	0	0	0	109.3	N11	N11-T13 PolarHBondContact O-N 3.38Å
14	V	29.8	Very low	32	Very low	129 Å²	129	135.1 Å²	135.1	78%	0.782	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-70.5	131.7	173.9	-179	0	0	0	0	108.6
15	P	31.7	Very low	32.9	Very low	109 Å²	109	129.4 Å²	129.4	71%	0.708	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-66.7	137.8	174.9	27.4	-33.3	0	0	0	110.5	L17	P15-L17 PolarHBondContact O-N 3.47Å
16	K	30.6	Very low	34	Very low	208 Å²	208	123.8 Å²	123.8	90%	0.904	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-54.1	134.3	171.7	-84.1	-178.7	169.4	-176.9	0	110
17	L	29.1	Very low	34.8	Very low	148 Å²	148	123.2 Å²	123.2	78%	0.775	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-63.7	145.1	166.1	-95.7	80.2	0	0	0	110.4	P15	P15-L17 PolarHBondContact O-N 3.47Å
18	S	33.3	Very low	35.9	Very low	92 Å²	92	118 Å²	118	64%	0.643	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-68.5	147.9	-179.3	169.3	0	0	0	0	113.1	S20	S18-S20 PolarHBondContact O-N 3.36Å; S18-S20 VanDerWaalsContact O-N 3.07Å; S18-S20 PolarHBondContact OG-N 3.21Å
19	E	40.1	Very low	37.5	Very low	180 Å²	180	117.7 Å²	117.7	84%	0.841	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-10.3	176	-65.1	170	140.3	0	0	113.9	N21 M22	E19-N21 PolarHBondContact O-N 3.28Å; E19-N21 VanDerWaalsContact O-N 3.08Å; E19-M22 PolarHBondContact O-N 3.19Å; E19-M22 VanDerWaalsContact O-N 3.15Å
20	S	39	Very low	38.8	Very low	69 Å²	69	111.5 Å²	111.5	48%	0.483	64%	0.638	S	S	.	*	H	α-helix	trans	-52.3	-31.5	-179.5	-170.5	0	0	0	0	114.5	S18 M22 G23	S18-S20 PolarHBondContact O-N 3.36Å; S18-S20 VanDerWaalsContact O-N 3.07Å; S18-S20 PolarHBondContact OG-N 3.21Å; S20-M22 VanDerWaalsContact C-N 3.32Å; S20-M22 PolarHBondContact O-N 3.4Å; S20-G23 PolarHBondContact O-N 3.43Å
21	N	36.2	Very low	40.4	Very low	115 Å²	115	112.5 Å²	112.5	62%	0.615	63%	0.625	S	S	*	*	H	α-helix	trans	-70.7	-20.9	-177.6	-75.4	-10.2	0	0	0	114.4	E19	E19-N21 PolarHBondContact O-N 3.28Å; E19-N21 VanDerWaalsContact O-N 3.08Å
22	M	38.8	Very low	42	Very low	135 Å²	135	106.3 Å²	106.3	67%	0.665	60%	0.599	S	S	*	*	H	α-helix	trans	-72.3	-31.7	173.8	-82.5	178.7	59.6	0	0	112.3	E19 S20 F24 G25 V26	E19-M22 PolarHBondContact O-N 3.19Å; E19-M22 VanDerWaalsContact O-N 3.15Å; S20-M22 VanDerWaalsContact C-N 3.32Å; S20-M22 PolarHBondContact O-N 3.4Å; M22-F24 PolarHBondContact O-N 3.04Å; M22-G25 PolarHBondContact O-N 2.97Å; M22-V26 WeakPolarHBondContact O-CG2 3.34Å; M22-V26 PolarHBondContact O-N 2.76Å; M22-V26 VanDerWaalsContact O-N 3.11Å
23	G	38.3	Very low	43.6	Very low	39 Å²	39	98.3 Å²	98.3	40%	0.402	57%	0.566	S	S	.	*	H	α-helix	trans	-61.4	-43.1	-179.6	0	0	0	0	0	112.8	S20 L27	S20-G23 PolarHBondContact O-N 3.43Å; G23-L27 VanDerWaalsContact O-CB 3.27Å; G23-L27 WeakPolarHBondContact O-CB 3.37Å; G23-L27 PolarHBondContact O-N 3.19Å
24	F	44.6	Very low	45	Very low	146 Å²	146	94.3 Å²	94.3	64%	0.64	54%	0.539	S	S	*	.	H	α-helix	trans	-68.9	-36.7	179.1	-70.8	-78.8	0	0	0	113.4	M22 G28	M22-F24 PolarHBondContact O-N 3.04Å; F24-G28 PolarHBondContact O-N 3.34Å
25	G	45.5	Very low	46.4	Very low	45 Å²	45	93.1 Å²	93.1	46%	0.464	53%	0.528	S	S	.	.	H	α-helix	trans	-65.3	-45.6	175.9	0	0	0	0	0	112.1	M22 G28 V29	M22-G25 PolarHBondContact O-N 2.97Å; G25-G28 PolarHBondContact O-N 3.05Å; G25-V29 WeakPolarHBondContact O-CG2 3.42Å; G25-V29 PolarHBondContact O-N 3.02Å; G25-V29 VanDerWaalsContact O-N 3.11Å
26	V	51.6	Low	47.7	Very low	46 Å²	46	93 Å²	93	28%	0.279	52%	0.518	S	S	.	.	H	α-helix	trans	-64.6	-46.9	176.3	172.8	0	0	0	0	111	M22 G28 V29 F30 F264	M22-V26 WeakPolarHBondContact O-CG2 3.34Å; M22-V26 PolarHBondContact O-N 2.76Å; M22-V26 VanDerWaalsContact O-N 3.11Å; V26-G28 VanDerWaalsContact C-N 3.27Å; V26-G28 PolarHBondContact O-N 2.89Å; V26-V29 PolarHBondContact O-N 2.78Å; V26-V29 VanDerWaalsContact O-N 3.15Å; V26-F30 HydrophobicContact CG1-CD2 3.6Å; V26-F30 HydrophobicContact CG1-CE2 3.63Å; V26-F30 WeakPolarHBondContact O-CD2 3.27Å; V26-F30 PolarHBondContact O-N 3.19Å; V26-F264 HydrophobicContact CB-CE2 4.44Å; V26-F264 HydrophobicContact CG1-CD2 4.42Å; V26-F264 HydrophobicContact CG1-CE2 3.82Å; V26-F264 HydrophobicContact CG1-CZ 4.43Å; V26-F264 HydrophobicContact CG2-CE2 4.19Å; V26-F264 HydrophobicContact CG2-CZ 4.11Å
27	L	51.1	Low	49	Very low	103 Å²	103	83.2 Å²	83.2	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-60.2	-37	177.8	-168.3	72.4	0	0	0	112.1	G23 F30 L31	G23-L27 VanDerWaalsContact O-CB 3.27Å; G23-L27 WeakPolarHBondContact O-CB 3.37Å; G23-L27 PolarHBondContact O-N 3.19Å; L27-F30 PolarHBondContact O-N 2.77Å; L27-L31 HydrophobicContact CD1-CD1 4.38Å; L27-L31 HydrophobicContact CG-CD1 4.23Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 PolarHBondContact O-N 3.44Å
28	G	51.4	Low	50.3	Low	45 Å²	45	77.6 Å²	77.6	46%	0.464	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-39.4	174.7	0	0	0	0	0	113.6	F24 G25 V26 G32	F24-G28 PolarHBondContact O-N 3.34Å; G25-G28 PolarHBondContact O-N 3.05Å; V26-G28 VanDerWaalsContact C-N 3.27Å; V26-G28 PolarHBondContact O-N 2.89Å; G28-G32 PolarHBondContact O-N 3.43Å
29	V	59.6	Low	51.2	Low	94 Å²	94	77.2 Å²	77.2	57%	0.57	44%	0.442	S	S	*	.	H	α-helix	trans	-68.1	-42.5	174	173.1	0	0	0	0	111	G25 V26 G32 L33	G25-V29 WeakPolarHBondContact O-CG2 3.42Å; G25-V29 PolarHBondContact O-N 3.02Å; G25-V29 VanDerWaalsContact O-N 3.11Å; V26-V29 PolarHBondContact O-N 2.78Å; V26-V29 VanDerWaalsContact O-N 3.15Å; V29-G32 PolarHBondContact O-N 2.96Å; V29-L33 HydrophobicContact CG1-CD1 4.07Å; V29-L33 WeakPolarHBondContact O-CG 3.48Å; V29-L33 PolarHBondContact O-N 3.01Å
30	F	56.4	Low	51.6	Low	64 Å²	64	76 Å²	76	28%	0.281	44%	0.437	S	S	.	.	H	α-helix	trans	-62.5	-46	173.9	-86.4	-77.2	0	0	0	111.8	V26 L27 G32 L33 L34 F263	V26-F30 HydrophobicContact CG1-CD2 3.6Å; V26-F30 HydrophobicContact CG1-CE2 3.63Å; V26-F30 WeakPolarHBondContact O-CD2 3.27Å; V26-F30 PolarHBondContact O-N 3.19Å; L27-F30 PolarHBondContact O-N 2.77Å; F30-G32 VanDerWaalsContact C-N 3.3Å; F30-G32 PolarHBondContact O-N 3.27Å; F30-L33 PolarHBondContact O-N 2.91Å; F30-L34 WeakPolarHBondContact O-CB 3.1Å; F30-L34 WeakPolarHBondContact O-CD1 3.5Å; F30-L34 WeakPolarHBondContact O-CG 3.39Å; F30-L34 PolarHBondContact O-N 2.86Å; F30-F263 HydrophobicContact CE2-CE2 4.23Å; F30-F263 AromaticContact CE2-CZ 3.82Å; F30-F263 HydrophobicContact CE2-CZ 3.82Å; F30-F263 AromaticContact CZ-CE2 3.98Å; F30-F263 HydrophobicContact CZ-CE2 3.98Å; F30-F263 AromaticContact CZ-CZ 3.59Å; F30-F263 HydrophobicContact CZ-CZ 3.59Å
31	L	59.2	Low	52.2	Low	95 Å²	95	73.2 Å²	73.2	50%	0.497	42%	0.419	S	S	.	.	H	α-helix	trans	-60.2	-40.2	174.1	-106.7	78.3	0	0	0	112.1	L27 L34 L35	L27-L31 HydrophobicContact CD1-CD1 4.38Å; L27-L31 HydrophobicContact CG-CD1 4.23Å; L27-L31 WeakPolarHBondContact O-CB 3.45Å; L27-L31 PolarHBondContact O-N 3.44Å; L31-L34 PolarHBondContact O-N 2.93Å; L31-L35 VanDerWaalsContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CD1 3.17Å; L31-L35 WeakPolarHBondContact O-CG 3.33Å; L31-L35 PolarHBondContact O-N 2.88Å
32	G	59.6	Low	53.1	Low	30 Å²	30	71.4 Å²	71.4	31%	0.309	41%	0.414	S	S	.	.	H	α-helix	trans	-58.4	-51.9	175.9	0	0	0	0	0	112.2	G28 V29 F30 L35 E36	G28-G32 PolarHBondContact O-N 3.43Å; V29-G32 PolarHBondContact O-N 2.96Å; F30-G32 VanDerWaalsContact C-N 3.3Å; F30-G32 PolarHBondContact O-N 3.27Å; G32-L35 PolarHBondContact O-N 3.18Å; G32-E36 PolarHBondContact O-N 3.4Å
33	L	59.9	Low	54.1	Low	45 Å²	45	70.2 Å²	70.2	24%	0.236	41%	0.406	C	S	.	.	H	α-helix	trans	-62.1	-44.5	176.9	-69.3	167.4	0	0	0	112	V29 F30 L35 E36 V37	V29-L33 HydrophobicContact CG1-CD1 4.07Å; V29-L33 WeakPolarHBondContact O-CG 3.48Å; V29-L33 PolarHBondContact O-N 3.01Å; F30-L33 PolarHBondContact O-N 2.91Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 PolarHBondContact O-N 3.27Å; L33-E36 PolarHBondContact O-N 3.03Å; L33-V37 VanDerWaalsContact O-CG2 3.29Å; L33-V37 WeakPolarHBondContact O-CG2 3.1Å; L33-V37 PolarHBondContact O-N 2.65Å
34	L	59.3	Low	55.8	Low	44 Å²	44	70.1 Å²	70.1	23%	0.23	40%	0.399	C	S	.	.	H	α-helix	trans	-62.7	-36.5	177.9	-66.3	164.4	0	0	0	111.5	F30 L31 S38 F307 V339	F30-L34 WeakPolarHBondContact O-CB 3.1Å; F30-L34 WeakPolarHBondContact O-CD1 3.5Å; F30-L34 WeakPolarHBondContact O-CG 3.39Å; F30-L34 PolarHBondContact O-N 2.86Å; L31-L34 PolarHBondContact O-N 2.93Å; L34-S38 VanDerWaalsContact O-CB 3.22Å; L34-S38 WeakPolarHBondContact O-CB 3.45Å; L34-S38 PolarHBondContact O-N 2.98Å; L34-S38 PolarHBondContact O-OG 2.81Å; L34-F307 HydrophobicContact CD2-CE2 4.15Å; L34-V339 HydrophobicContact CD2-CG2 3.48Å; L34-V339 VanDerWaalsContact CD2-CG2 3.48Å
35	L	58.9	Low	57.8	Low	103 Å²	103	66.5 Å²	66.5	54%	0.539	39%	0.389	S	S	.	.	H	α-helix	trans	-70.3	-47	174.4	-74.6	167.7	0	0	0	111.6	L31 G32 L33 V37 S38 T39	L31-L35 VanDerWaalsContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CD1 3.17Å; L31-L35 WeakPolarHBondContact O-CG 3.33Å; L31-L35 PolarHBondContact O-N 2.88Å; G32-L35 PolarHBondContact O-N 3.18Å; L33-L35 VanDerWaalsContact C-N 3.29Å; L33-L35 PolarHBondContact O-N 3.27Å; L35-V37 PolarHBondContact O-N 3.08Å; L35-S38 CarbonylContact O-C 3.55Å; L35-S38 WeakPolarHBondContact O-CA 3.49Å; L35-S38 WeakPolarHBondContact O-CB 3.24Å; L35-S38 PolarHBondContact O-N 3Å; L35-T39 WeakPolarHBondContact O-CG2 3.4Å; L35-T39 PolarHBondContact O-N 3.13Å; L35-T39 PolarHBondContact O-OG1 3.2Å; L35-T39 VanDerWaalsContact O-OG1 3.12Å
36	E	58.2	Low	60	Low	107 Å²	107	65 Å²	65	50%	0.5	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-45.3	176.6	-76.6	-178.8	168.3	0	0	111.9	G32 L33 S38 T39 H40	G32-E36 PolarHBondContact O-N 3.4Å; L33-E36 PolarHBondContact O-N 3.03Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 3.03Å; E36-T39 PolarHBondContact O-N 2.95Å; E36-H40 WeakPolarHBondContact O-CA 3.41Å; E36-H40 WeakPolarHBondContact O-CB 3.47Å; E36-H40 PolarHBondContact O-N 2.81Å
37	V	58.3	Low	62.1	Low	2 Å²	2	63 Å²	63	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-66.1	-32.7	174.1	-174.9	0	0	0	0	111.4	L33 L35 G41 M302 L305 F307 L341	L33-V37 VanDerWaalsContact O-CG2 3.29Å; L33-V37 WeakPolarHBondContact O-CG2 3.1Å; L33-V37 PolarHBondContact O-N 2.65Å; L35-V37 PolarHBondContact O-N 3.08Å; V37-G41 VanDerWaalsContact O-CA 3.27Å; V37-G41 WeakPolarHBondContact O-CA 3.37Å; V37-G41 PolarHBondContact O-N 3.27Å; V37-M302 HydrophobicContact CG1-CE 3.77Å; V37-M302 HydrophobicContact CG2-CE 4.38Å; V37-L305 HydrophobicContact CG2-CB 4.12Å; V37-L305 HydrophobicContact CG2-CD1 3.95Å; V37-F307 HydrophobicContact CG2-CB 4.24Å; V37-F307 HydrophobicContact CG2-CD2 3.88Å; V37-F307 HydrophobicContact CG2-CG 4.23Å; V37-L341 HydrophobicContact CB-CD1 4.48Å; V37-L341 HydrophobicContact CG1-CD1 3.54Å; V37-L341 HydrophobicContact CG1-CD2 4.41Å
38	S	56.3	Low	64.1	Low	30 Å²	30	58.1 Å²	58.1	21%	0.21	33%	0.333	C	S	.	.	H	α-helix	trans	-73.9	-26.6	177.4	-63.8	0	0	0	0	114.6	L34 L35 E36 V339 K435	L34-S38 VanDerWaalsContact O-CB 3.22Å; L34-S38 WeakPolarHBondContact O-CB 3.45Å; L34-S38 PolarHBondContact O-N 2.98Å; L34-S38 PolarHBondContact O-OG 2.81Å; L35-S38 CarbonylContact O-C 3.55Å; L35-S38 WeakPolarHBondContact O-CA 3.49Å; L35-S38 WeakPolarHBondContact O-CB 3.24Å; L35-S38 PolarHBondContact O-N 3Å; E36-S38 VanDerWaalsContact C-N 3.29Å; E36-S38 PolarHBondContact O-N 3.03Å; S38-V339 VanDerWaalsContact OG-CG1 3.29Å; S38-V339 WeakPolarHBondContact OG-CG1 3.43Å; S38-K435 PolarHBondContact O-NZ 2.97Å
39	T	52.4	Low	66.2	Low	84 Å²	84	58.2 Å²	58.2	52%	0.515	33%	0.327	S	S	.	.	H	α-helix	trans	-104.5	-22.4	-177.7	60.5	0	0	0	0	114	L35 E36	L35-T39 WeakPolarHBondContact O-CG2 3.4Å; L35-T39 PolarHBondContact O-N 3.13Å; L35-T39 PolarHBondContact O-OG1 3.2Å; L35-T39 VanDerWaalsContact O-OG1 3.12Å; E36-T39 PolarHBondContact O-N 2.95Å
40	H	49	Very low	67.8	Low	155 Å²	155	55.1 Å²	55.1	72%	0.718	31%	0.305	S	S	*	.	H	α-helix	trans	-132.4	2.6	-175.3	-57.9	-42.3	0	0	0	114.1	E36	E36-H40 WeakPolarHBondContact O-CA 3.41Å; E36-H40 WeakPolarHBondContact O-CB 3.47Å; E36-H40 PolarHBondContact O-N 2.81Å
41	G	50.7	Low	69.6	Low	11 Å²	11	58.5 Å²	58.5	11%	0.113	32%	0.319	C	S	.	.	S	Bend	trans	-62.3	149.9	170.2	0	0	0	0	0	111.8	V37 H43	V37-G41 VanDerWaalsContact O-CA 3.27Å; V37-G41 WeakPolarHBondContact O-CA 3.37Å; V37-G41 PolarHBondContact O-N 3.27Å; G41-H43 PolarHBondContact O-CD2 3.5Å; G41-H43 VanDerWaalsContact O-CD2 3.23Å; G41-H43 PolarHBondContact O-N 3.44Å
42	P	56.4	Low	71.1	Confident	77 Å²	77	56 Å²	56	50%	0.5	30%	0.303	S	S	.	.			trans	-62.7	121.7	177.9	25.7	-33.6	0	0	0	110.6	I433	P42-I433 HydrophobicContact CG-CB 4.25Å; P42-I433 HydrophobicContact CG-CD1 4.34Å
43	H	59.9	Low	72.6	Confident	110 Å²	110	63.4 Å²	63.4	51%	0.509	33%	0.33	S	S	.	.			trans	-95	97.7	174.6	-76.8	-98.1	0	0	0	110	G41 V45 K435	G41-H43 PolarHBondContact O-CD2 3.5Å; G41-H43 VanDerWaalsContact O-CD2 3.23Å; G41-H43 PolarHBondContact O-N 3.44Å; H43-V45 PolarHBondContact O-N 2.86Å; H43-K435 VanDerWaalsContact CE1-CD 3.41Å; H43-K435 WeakPolarHBondContact CE1-CD 3.41Å
44	S	74	Confident	74.1	Confident	36 Å²	36	65.2 Å²	65.2	25%	0.252	34%	0.34	S	S	.	.			trans	-82	104	166.4	61.2	0	0	0	0	109.8	I433 T434 I479	S44-I433 PolarHBondContact OG-O 2.04Å; S44-I433 VanDerWaalsContact OG-O 3.1Å; S44-T434 WeakPolarHBondContact OG-CG2 3.4Å; S44-I479 WeakPolarHBondContact OG-CD1 3.5Å
45	V	85.7	Confident	75.7	Confident	71 Å²	71	63.7 Å²	63.7	43%	0.43	33%	0.332	S	S	.	.			trans	-89.6	132	174.3	-179.5	0	0	0	0	108.9	H43 R47 N603 L604	H43-V45 PolarHBondContact O-N 2.86Å; V45-R47 PolarHBondContact O-N 2.93Å; V45-N603 HydrophobicContact CG1-CB 4.06Å; V45-L604 HydrophobicContact CB-CD2 4.15Å
46	P	93	Very high	77.2	Confident	14 Å²	14	65.8 Å²	65.8	9%	0.091	34%	0.344	C	S	.	.			trans	-57.5	129.5	171.6	-21.5	32.3	0	0	0	111.2	T48 I479 E482 N603	P46-T48 VanDerWaalsContact C-N 3.31Å; P46-T48 PolarHBondContact O-N 2.8Å; P46-I479 HydrophobicContact CB-CB 4.5Å; P46-I479 HydrophobicContact CB-CG2 3.77Å; P46-I479 HydrophobicContact CG-CG2 4.02Å; P46-E482 HydrophobicContact CB-CB 3.9Å; P46-E482 HydrophobicContact CB-CG 3.89Å; P46-E482 HydrophobicContact CG-CB 3.9Å; P46-E482 HydrophobicContact CG-CG 4.04Å; P46-N603 WeakPolarHBondContact O-CB 3.43Å; P46-N603 PolarHBondContact O-ND2 2.65Å
47	R	94.1	Very high	79	Confident	3 Å²	3	62.1 Å²	62.1	1%	0.011	33%	0.327	C	S	.	.	S	Bend	trans	-59.4	-42.9	-179.4	-176.6	-162.5	176.7	-105.2	-9.8	111.6	V45 I479 V480 D528 L531 S602 N603 L604 E649	V45-R47 PolarHBondContact O-N 2.93Å; R47-I479 PolarHBondContact N-O 2.91Å; R47-V480 WeakPolarHBondContact CB-O 3.49Å; R47-D528 IonicContact CZ-OD1 3.62Å; R47-D528 IonicContact NH1-OD1 3.47Å; R47-D528 PolarHBondContact NH1-OD1 2.72Å; R47-D528 IonicContact NH2-OD1 3.61Å; R47-D528 PolarHBondContact NH2-OD1 2.83Å; R47-L531 WeakPolarHBondContact CD-O 3.37Å; R47-L531 PolarHBondContact NE-O 2.84Å; R47-L531 VanDerWaalsContact NE-O 3.16Å; R47-S602 CarbonylContact O-C 3.58Å; R47-S602 VanDerWaalsContact O-CA 3.29Å; R47-S602 WeakPolarHBondContact O-CA 3.17Å; R47-N603 PolarHBondContact O-N 3.14Å; R47-L604 HydrophobicContact CB-CD1 3.96Å; R47-L604 HydrophobicContact CB-CG 4.35Å; R47-L604 HydrophobicContact CG-CD1 4.07Å; R47-L604 HydrophobicContact CG-CG 4.36Å; R47-E649 IonicContact CZ-OE1 3.51Å; R47-E649 IonicContact CZ-OE2 2.74Å; R47-E649 IonicContact NE-OE1 2.98Å; R47-E649 PolarHBondContact NE-OE1 3.2Å; R47-E649 IonicContact NE-OE2 3.44Å; R47-E649 PolarHBondContact NE-OE2 2.86Å; R47-E649 IonicContact NH2-OE1 3.84Å; R47-E649 IonicContact NH2-OE2 2.66Å; R47-E649 PolarHBondContact NH2-OE2 3.27Å
48	T	94.3	Very high	80.8	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.4	-179.4	56.3	0	0	0	0	111.4	P46 V480 E481 E482 Y523 N601	P46-T48 VanDerWaalsContact C-N 3.31Å; P46-T48 PolarHBondContact O-N 2.8Å; T48-V480 PolarHBondContact N-O 3.17Å; T48-V480 PolarHBondContact OG1-O 3.44Å; T48-V480 VanDerWaalsContact OG1-O 3.05Å; T48-E481 CarbonylContact O-C 3.29Å; T48-E481 VanDerWaalsContact O-CA 3.23Å; T48-E481 WeakPolarHBondContact O-CA 3.47Å; T48-E481 VanDerWaalsContact OG1-CB 3.32Å; T48-E481 WeakPolarHBondContact OG1-CB 3.21Å; T48-E482 PolarHBondContact O-N 2.65Å; T48-Y523 HydrophobicContact CG2-CE1 4.4Å; T48-N601 WeakPolarHBondContact CG2-O 3.26Å
49	S	94.5	Very high	82.8	Confident	47 Å²	47	65.7 Å²	65.7	33%	0.329	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.5	-177.3	-61.6	0	0	0	0	111.2	E482 N603	S49-E482 WeakPolarHBondContact CB-OE1 3.48Å; S49-E482 VanDerWaalsContact OG-CD 3.3Å; S49-E482 WeakPolarHBondContact OG-CG 3.43Å; S49-E482 PolarHBondContact OG-OE1 3.43Å; S49-N603 PolarHBondContact OG-ND2 3.38Å
50	W	94.8	Very high	84.9	Confident	28 Å²	28	62.3 Å²	62.3	11%	0.106	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.5	-177.5	-57.1	116.4	0	0	0	112.5	L55 E481 E482 I483 Q484 K522 Y523	W50-L55 HydrophobicContact CB-CD1 3.63Å; W50-L55 HydrophobicContact CB-CD2 4.13Å; W50-L55 HydrophobicContact CB-CG 3.99Å; W50-L55 HydrophobicContact CD2-CD2 4.42Å; W50-L55 HydrophobicContact CG-CD1 4.3Å; W50-L55 HydrophobicContact CG-CD2 4.18Å; W50-E481 PolarHBondContact NE1-OE2 3Å; W50-E482 PolarHBondContact N-O 3.02Å; W50-I483 HydrophobicContact CB-CG1 4.44Å; W50-Q484 PolarHBondContact O-N 2.86Å; W50-Q484 VanDerWaalsContact O-N 3.13Å; W50-K522 HydrophobicContact CH2-CB 3.52Å; W50-K522 HydrophobicContact CH2-CG 4.09Å; W50-K522 HydrophobicContact CZ2-CB 3.69Å; W50-K522 HydrophobicContact CZ2-CG 4.21Å; W50-K522 HydrophobicContact CZ3-CB 4.2Å; W50-K522 HydrophobicContact CZ3-CG 4.34Å; W50-Y523 HydrophobicContact CZ2-CE1 4.16Å
51	K	92.4	Very high	87.2	Confident	136 Å²	136	57.9 Å²	57.9	59%	0.591	31%	0.307	S	S	*	.			trans	-73.8	143.7	169.6	-55.1	169.2	-176.8	167	0	108.6	Q53 D54	K51-Q53 PolarHBondContact O-N 2.95Å; K51-Q53 VanDerWaalsContact O-N 3.09Å; K51-D54 WeakPolarHBondContact CB-OD2 3.25Å; K51-D54 PolarHBondContact O-N 3.24Å
52	R	91.5	Very high	89.5	Confident	41 Å²	41	59 Å²	59	16%	0.155	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-49.4	-41.2	178.8	-167.3	-151.7	-146.2	67.1	2.6	113.5	D54 L55 L57 E59 Q484 L485 L486 K487 I513	R52-D54 PolarHBondContact O-N 2.82Å; R52-L55 PolarHBondContact O-N 2.97Å; R52-L55 VanDerWaalsContact O-N 3.16Å; R52-L57 HydrophobicContact CG-CD1 4.02Å; R52-E59 IonicContact CZ-OE2 2.64Å; R52-E59 IonicContact NE-OE2 3.66Å; R52-E59 IonicContact NH2-OE2 2.67Å; R52-E59 PolarHBondContact NH2-OE2 2.82Å; R52-Q484 WeakPolarHBondContact CB-O 3.39Å; R52-L485 PolarHBondContact NH1-O 3.13Å; R52-L485 PolarHBondContact NH2-O 3.36Å; R52-L486 PolarHBondContact NH1-O 2.03Å; R52-K487 VanDerWaalsContact CZ-CG 3.47Å; R52-K487 VanDerWaalsContact NH1-N 3.15Å; R52-I513 VanDerWaalsContact NH2-CD1 3.25Å
53	Q	91.3	Very high	91.3	Very high	187 Å²	187	61.4 Å²	61.4	87%	0.874	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-66.3	-20.2	-174.3	-63.2	174.9	9.4	0	0	112.7	K51	K51-Q53 PolarHBondContact O-N 2.95Å; K51-Q53 VanDerWaalsContact O-N 3.09Å
54	D	90.6	Very high	93	Very high	82 Å²	82	58.6 Å²	58.6	44%	0.439	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-90.9	-2.6	-179.7	-53.6	-39.2	0	0	0	112.1	K51 R52 K522	K51-D54 WeakPolarHBondContact CB-OD2 3.25Å; K51-D54 PolarHBondContact O-N 3.24Å; R52-D54 PolarHBondContact O-N 2.82Å; D54-K522 VanDerWaalsContact O-CE 3.24Å; D54-K522 WeakPolarHBondContact O-CE 3.45Å; D54-K522 PolarHBondContact O-NZ 3.38Å
55	L	92.9	Very high	94.1	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.068	32%	0.316	C	S	.	.	S	Bend	trans	-123.8	139.8	-173.4	-61.5	-178.1	0	0	0	113.1	W50 R52 L57 I483 F519	W50-L55 HydrophobicContact CB-CD1 3.63Å; W50-L55 HydrophobicContact CB-CD2 4.13Å; W50-L55 HydrophobicContact CB-CG 3.99Å; W50-L55 HydrophobicContact CD2-CD2 4.42Å; W50-L55 HydrophobicContact CG-CD1 4.3Å; W50-L55 HydrophobicContact CG-CD2 4.18Å; R52-L55 PolarHBondContact O-N 2.97Å; R52-L55 VanDerWaalsContact O-N 3.16Å; L55-L57 VanDerWaalsContact C-N 3.27Å; L55-L57 HydrophobicContact CB-CD2 4.4Å; L55-L57 HydrophobicContact CB-CG 3.98Å; L55-L57 PolarHBondContact O-N 2.87Å; L55-I483 HydrophobicContact CD1-CG1 4.4Å; L55-I483 HydrophobicContact CD1-CG2 3.55Å; L55-F519 HydrophobicContact CB-CE1 4.34Å; L55-F519 HydrophobicContact CB-CZ 4.46Å; L55-F519 HydrophobicContact CD1-CD2 4.41Å; L55-F519 HydrophobicContact CD1-CE1 4.36Å; L55-F519 HydrophobicContact CD1-CE2 3.88Å; L55-F519 HydrophobicContact CD1-CZ 3.84Å; L55-F519 HydrophobicContact CD2-CD1 3.81Å; L55-F519 HydrophobicContact CD2-CD2 4.22Å; L55-F519 HydrophobicContact CD2-CE1 3.94Å; L55-F519 HydrophobicContact CD2-CE2 4.35Å; L55-F519 HydrophobicContact CD2-CG 3.95Å; L55-F519 HydrophobicContact CD2-CZ 4.21Å; L55-F519 HydrophobicContact CG-CE1 4.45Å; L55-F519 HydrophobicContact CG-CZ 4.42Å
56	D	91	Very high	94.6	Very high	147 Å²	147	58.5 Å²	58.5	79%	0.786	32%	0.315	S	S	*	.			trans	-79.8	72.7	173.2	-60.4	-58.7	0	0	0	110.8
57	L	95.9	Very high	94.8	Very high	29 Å²	29	58.9 Å²	58.9	15%	0.152	32%	0.316	C	S	.	.			trans	-89.1	139.3	175.2	-61.1	179.4	0	0	0	111.3	R52 L55 L485 I513 F519	R52-L57 HydrophobicContact CG-CD1 4.02Å; L55-L57 VanDerWaalsContact C-N 3.27Å; L55-L57 HydrophobicContact CB-CD2 4.4Å; L55-L57 HydrophobicContact CB-CG 3.98Å; L55-L57 PolarHBondContact O-N 2.87Å; L57-L485 HydrophobicContact CD1-CD2 3.97Å; L57-L485 HydrophobicContact CD2-CD2 4.2Å; L57-I513 HydrophobicContact CB-CG2 4.41Å; L57-I513 HydrophobicContact CD1-CG2 4.45Å; L57-F519 HydrophobicContact CD2-CZ 3.86Å
58	L	97.2	Very high	95	Very high	60 Å²	60	58.7 Å²	58.7	31%	0.314	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.9	175.1	-59.9	174.6	0	0	0	109.6	N95 V96 T97 I513 Q514	L58-N95 HydrophobicContact CD1-CB 4.24Å; L58-V96 HydrophobicContact CB-CG2 3.96Å; L58-T97 HydrophobicContact CB-CG2 4.25Å; L58-T97 HydrophobicContact CD2-CG2 4.21Å; L58-I513 CarbonylContact O-C 3.59Å; L58-I513 WeakPolarHBondContact O-CA 3.26Å; L58-Q514 HydrophobicContact CB-CB 4.19Å; L58-Q514 PolarHBondContact N-O 3.3Å; L58-Q514 VanDerWaalsContact N-O 3.13Å; L58-Q514 PolarHBondContact O-N 2.8Å
59	E	96.4	Very high	95.1	Very high	48 Å²	48	59.7 Å²	59.7	22%	0.224	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	131.5	-171.1	174.9	174.6	143.2	0	0	111.2	R52 K487 V512 I513	R52-E59 IonicContact CZ-OE2 2.64Å; R52-E59 IonicContact NE-OE2 3.66Å; R52-E59 IonicContact NH2-OE2 2.67Å; R52-E59 PolarHBondContact NH2-OE2 2.82Å; E59-K487 IonicContact OE1-NZ 2.68Å; E59-K487 PolarHBondContact OE1-NZ 3.12Å; E59-K487 WeakPolarHBondContact OE2-CE 3.46Å; E59-K487 IonicContact OE2-NZ 2.74Å; E59-K487 PolarHBondContact OE2-NZ 3.46Å; E59-K487 VanDerWaalsContact OE2-NZ 3.09Å; E59-V512 WeakPolarHBondContact CA-O 3.19Å; E59-I513 HydrophobicContact CB-CD1 3.7Å; E59-I513 HydrophobicContact CG-CD1 3.51Å
60	F	98.2	Very high	95.2	Very high	13 Å²	13	58 Å²	58	6%	0.057	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.2	172	178.5	-103.1	0	0	0	111.2	E62 Y68 F89 L91 V96 R99 G511 V512	F60-E62 HydrophobicContact CZ-CB 4.21Å; F60-Y68 HydrophobicContact CD1-CE1 4.34Å; F60-Y68 HydrophobicContact CE1-CE1 4.04Å; F60-F89 HydrophobicContact CE1-CD1 4.06Å; F60-F89 HydrophobicContact CE1-CD2 4.19Å; F60-F89 HydrophobicContact CE1-CE1 4.17Å; F60-F89 HydrophobicContact CE1-CE2 4.32Å; F60-F89 HydrophobicContact CE1-CG 4.05Å; F60-F89 HydrophobicContact CE1-CZ 4.3Å; F60-F89 AromaticContact CZ-CD1 3.79Å; F60-F89 HydrophobicContact CZ-CD1 3.79Å; F60-F89 AromaticContact CZ-CE1 3.84Å; F60-F89 HydrophobicContact CZ-CE1 3.84Å; F60-F89 HydrophobicContact CZ-CG 4.23Å; F60-F89 HydrophobicContact CZ-CZ 4.35Å; F60-L91 HydrophobicContact CB-CD1 3.94Å; F60-L91 HydrophobicContact CD1-CD1 3.62Å; F60-L91 HydrophobicContact CD1-CD2 3.89Å; F60-L91 HydrophobicContact CD1-CG 4.39Å; F60-L91 HydrophobicContact CD2-CD1 4.49Å; F60-L91 HydrophobicContact CD2-CD2 3.89Å; F60-L91 HydrophobicContact CE1-CD1 4.29Å; F60-L91 HydrophobicContact CE1-CD2 3.85Å; F60-L91 HydrophobicContact CE2-CD2 3.89Å; F60-L91 HydrophobicContact CG-CD1 3.73Å; F60-L91 HydrophobicContact CG-CD2 3.91Å; F60-L91 HydrophobicContact CZ-CD2 3.86Å; F60-V96 HydrophobicContact CB-CB 4.42Å; F60-V96 WeakPolarHBondContact CB-O 3.44Å; F60-R99 HydrophobicContact CE2-CB 3.77Å; F60-R99 HydrophobicContact CE2-CG 4.12Å; F60-R99 HydrophobicContact CZ-CB 4.29Å; F60-R99 HydrophobicContact CZ-CG 4.13Å; F60-G511 CarbonylContact O-C 3.19Å; F60-G511 WeakPolarHBondContact O-CA 3.04Å; F60-V512 PolarHBondContact N-O 2.58Å; F60-V512 PolarHBondContact O-N 2.97Å
61	S	97.4	Very high	95.4	Very high	62 Å²	62	57.4 Å²	57.4	43%	0.434	31%	0.309	S	S	.	.			trans	-150.9	147.4	165.8	55.4	0	0	0	0	109.8	S510	S61-S510 VanDerWaalsContact CB-O 3.3Å; S61-S510 WeakPolarHBondContact CB-O 3.32Å
62	E	97.2	Very high	95.6	Very high	34 Å²	34	52.1 Å²	52.1	16%	0.159	29%	0.287	C	S	.	.			trans	-115.9	124.7	178.1	178.2	94	-171.4	0	0	109.3	F60 G64 I65 Y68 F89 R99 K102	F60-E62 HydrophobicContact CZ-CB 4.21Å; E62-G64 PolarHBondContact O-N 3Å; E62-I65 HydrophobicContact CB-CB 4.18Å; E62-I65 HydrophobicContact CB-CG1 4.25Å; E62-I65 HydrophobicContact CG-CB 4.39Å; E62-I65 HydrophobicContact CG-CG1 3.91Å; E62-I65 PolarHBondContact O-N 3.07Å; E62-Y68 PolarHBondContact N-OH 3.39Å; E62-Y68 PolarHBondContact O-OH 3.17Å; E62-F89 HydrophobicContact CB-CE1 3.98Å; E62-F89 HydrophobicContact CB-CZ 3.77Å; E62-F89 HydrophobicContact CG-CE1 4.06Å; E62-F89 HydrophobicContact CG-CZ 4.04Å; E62-R99 IonicContact OE1-NH1 3.36Å; E62-R99 PolarHBondContact OE1-NH1 2.88Å; E62-R99 IonicContact OE2-CZ 3.99Å; E62-R99 IonicContact OE2-NH1 3.26Å; E62-R99 PolarHBondContact OE2-NH1 2.87Å; E62-K102 VanDerWaalsContact CD-NZ 3.26Å; E62-K102 IonicContact OE1-NZ 2.79Å; E62-K102 PolarHBondContact OE1-NZ 3.12Å; E62-K102 IonicContact OE2-NZ 2.76Å
63	P	96	Very high	95.9	Very high	127 Å²	127	51.8 Å²	51.8	83%	0.825	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	127.1	-179	-29.1	35.9	0	0	0	113.8	I65	P63-I65 VanDerWaalsContact C-N 3.29Å; P63-I65 PolarHBondContact O-N 2.89Å
64	G	94.4	Very high	96	Very high	51 Å²	51	43.2 Å²	43.2	53%	0.526	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-4.3	-179.1	0	0	0	0	0	115.2	E62	E62-G64 PolarHBondContact O-N 3Å
65	I	97.1	Very high	96	Very high	12 Å²	12	42.5 Å²	42.5	6%	0.062	24%	0.243	C	C	.	.			trans	-107.3	138.8	173.2	-54.8	-61.3	0	0	0	109.2	E62 P63 Y68 A84 A87 F89	E62-I65 HydrophobicContact CB-CB 4.18Å; E62-I65 HydrophobicContact CB-CG1 4.25Å; E62-I65 HydrophobicContact CG-CB 4.39Å; E62-I65 HydrophobicContact CG-CG1 3.91Å; E62-I65 PolarHBondContact O-N 3.07Å; P63-I65 VanDerWaalsContact C-N 3.29Å; P63-I65 PolarHBondContact O-N 2.89Å; I65-Y68 HydrophobicContact CG2-CE1 4.15Å; I65-Y68 PolarHBondContact O-OH 3Å; I65-A84 HydrophobicContact CG2-CB 3.64Å; I65-A87 HydrophobicContact CD1-CB 4.04Å; I65-A87 HydrophobicContact CG1-CB 4.41Å; I65-A87 HydrophobicContact CG2-CB 4.23Å; I65-F89 HydrophobicContact CB-CZ 4.36Å; I65-F89 HydrophobicContact CG1-CZ 4.27Å; I65-F89 HydrophobicContact CG2-CE2 3.91Å; I65-F89 HydrophobicContact CG2-CZ 3.97Å
66	F	96.8	Very high	95.8	Very high	93 Å²	93	50.5 Å²	50.5	41%	0.408	28%	0.28	S	S	.	.			trans	-141.9	175.8	-173.3	-59.3	-87.7	0	0	0	109.5	R85 D509	F66-R85 VanDerWaalsContact O-CB 3.25Å; F66-R85 WeakPolarHBondContact O-CB 3.41Å; F66-R85 PolarHBondContact O-N 3.44Å; F66-D509 CarbonylContact C-O 3.5Å; F66-D509 WeakPolarHBondContact CA-O 3.26Å; F66-D509 WeakPolarHBondContact CB-O 3.39Å
67	N	97.4	Very high	95.8	Very high	22 Å²	22	48.6 Å²	48.6	12%	0.118	26%	0.262	C	S	.	.			trans	61.4	58.6	171.4	-44.1	110.5	0	0	0	112.4	S69 A84 R85 Y129 D509	N67-S69 PolarHBondContact O-N 2.04Å; N67-S69 PolarHBondContact O-OG 2.89Å; N67-A84 WeakPolarHBondContact O-CA 3.02Å; N67-R85 HydrophobicContact CB-CB 4.34Å; N67-Y129 HydrophobicContact CB-CD1 4.04Å; N67-Y129 HydrophobicContact CB-CE1 3.7Å; N67-Y129 VanDerWaalsContact CG-CE1 3.43Å; N67-Y129 VanDerWaalsContact OD1-CE1 3.26Å; N67-Y129 WeakPolarHBondContact OD1-CE1 3.34Å; N67-Y129 PolarHBondContact OD1-OH 2.97Å; N67-D509 WeakPolarHBondContact CA-OD1 3.36Å; N67-D509 PolarHBondContact N-O 3.3Å; N67-D509 VanDerWaalsContact ND2-CG 3.27Å; N67-D509 PolarHBondContact ND2-OD1 3.34Å
68	Y	98.1	Very high	95.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.268	C	S	.	.			trans	-77.1	57.4	178.3	-55.5	-98.7	0	0	0	110.2	F60 E62 I65 V82 A84 F89 G507 S508 S510 V512	F60-Y68 HydrophobicContact CD1-CE1 4.34Å; F60-Y68 HydrophobicContact CE1-CE1 4.04Å; E62-Y68 PolarHBondContact N-OH 3.39Å; E62-Y68 PolarHBondContact O-OH 3.17Å; I65-Y68 HydrophobicContact CG2-CE1 4.15Å; I65-Y68 PolarHBondContact O-OH 3Å; Y68-V82 HydrophobicContact CD1-CG1 3.86Å; Y68-V82 HydrophobicContact CG-CG1 4.49Å; Y68-A84 HydrophobicContact CD1-CB 3.82Å; Y68-A84 HydrophobicContact CE1-CB 4.12Å; Y68-A84 HydrophobicContact CG-CB 4.27Å; Y68-F89 HydrophobicContact CD1-CE2 4.47Å; Y68-F89 AromaticContact CE1-CE2 3.91Å; Y68-F89 HydrophobicContact CE1-CE2 3.91Å; Y68-F89 HydrophobicContact CE1-CZ 4.47Å; Y68-G507 WeakPolarHBondContact O-CA 3.24Å; Y68-S508 WeakPolarHBondContact CB-O 3.49Å; Y68-S508 PolarHBondContact N-O 2.79Å; Y68-S510 WeakPolarHBondContact CE2-O 3.32Å; Y68-V512 HydrophobicContact CD1-CG2 4.22Å; Y68-V512 HydrophobicContact CG-CG2 4.24Å
69	S	95.6	Very high	95.6	Very high	21 Å²	21	46.9 Å²	46.9	15%	0.147	25%	0.253	C	S	.	.			trans	-88.6	-11.8	-165.6	54.6	0	0	0	0	115.2	N67 G83	N67-S69 PolarHBondContact O-N 2.04Å; N67-S69 PolarHBondContact O-OG 2.89Å; S69-G83 PolarHBondContact N-O 2.85Å
70	T	97.4	Very high	95.6	Very high	13 Å²	13	44.6 Å²	44.6	8%	0.08	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	115.1	-178.6	-60	0	0	0	0	109.1	G83 I130 R131 L133	T70-G83 PolarHBondContact N-O 2.97Å; T70-G83 PolarHBondContact O-N 2.04Å; T70-I130 PolarHBondContact OG1-O 3.32Å; T70-R131 WeakPolarHBondContact CG2-O 3.44Å; T70-R131 PolarHBondContact OG1-O 2.56Å; T70-L133 HydrophobicContact CG2-CB 3.58Å; T70-L133 HydrophobicContact CG2-CD2 4.19Å
71	L	98.1	Very high	95.7	Very high	14 Å²	14	44 Å²	44	7%	0.073	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.3	174.8	-50.9	179.3	0	0	0	109.7	L80 V82 N494 L496 V512	L71-L80 HydrophobicContact CB-CD1 4.37Å; L71-V82 HydrophobicContact CD2-CB 4.27Å; L71-V82 HydrophobicContact CD2-CG1 3.86Å; L71-V82 HydrophobicContact CD2-CG2 3.85Å; L71-N494 VanDerWaalsContact CB-OD1 3.31Å; L71-N494 WeakPolarHBondContact CB-OD1 3.46Å; L71-N494 HydrophobicContact CD1-CB 4.19Å; L71-N494 WeakPolarHBondContact CD1-OD1 3.4Å; L71-N494 HydrophobicContact CG-CB 4.08Å; L71-N494 WeakPolarHBondContact CG-OD1 3.05Å; L71-L496 HydrophobicContact CB-CD1 3.45Å; L71-L496 VanDerWaalsContact CB-CD1 3.45Å; L71-L496 HydrophobicContact CB-CG 3.99Å; L71-L496 HydrophobicContact CD1-CG 4.42Å; L71-V512 HydrophobicContact CD2-CG1 4.4Å; L71-V512 HydrophobicContact CD2-CG2 3.89Å
72	L	97.9	Very high	95.7	Very high	25 Å²	25	41.1 Å²	41.1	13%	0.131	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	111.4	173.1	172.2	71.2	0	0	0	108.9	Y81 L133 I135 L141	L72-Y81 HydrophobicContact CD2-CD2 4.03Å; L72-Y81 HydrophobicContact CG-CD2 4.27Å; L72-Y81 PolarHBondContact N-O 3.12Å; L72-Y81 PolarHBondContact O-N 3.01Å; L72-L133 HydrophobicContact CB-CD2 3.93Å; L72-L133 HydrophobicContact CB-CG 3.92Å; L72-L133 HydrophobicContact CD2-CG 3.95Å; L72-I135 HydrophobicContact CD1-CG1 4.37Å; L72-I135 HydrophobicContact CD2-CG1 3.86Å; L72-I135 HydrophobicContact CG-CG1 4.48Å; L72-L141 HydrophobicContact CD2-CD1 4.33Å; L72-L141 HydrophobicContact CD2-CD2 4.11Å
73	L	96.3	Very high	95.8	Very high	35 Å²	35	39.5 Å²	39.5	18%	0.183	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	133.2	175.8	180	69.2	0	0	0	110.2	E75 L80 K93 L496 Y505	L73-E75 HydrophobicContact CD2-CG 4.48Å; L73-L80 HydrophobicContact CB-CD1 4.45Å; L73-K93 HydrophobicContact CD1-CB 4.15Å; L73-K93 HydrophobicContact CD1-CD 4.24Å; L73-L496 HydrophobicContact CB-CD1 3.97Å; L73-Y505 HydrophobicContact CD1-CE2 4.15Å
74	S	94.3	Very high	95.9	Very high	6 Å²	6	33.5 Å²	33.5	4%	0.042	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	102.7	172.3	-176.5	0	0	0	0	109.9	R77 D78 A79	S74-R77 PolarHBondContact O-N 2.65Å; S74-D78 PolarHBondContact O-N 3.46Å; S74-A79 PolarHBondContact N-O 3Å; S74-A79 PolarHBondContact O-N 2.86Å; S74-A79 VanDerWaalsContact O-N 3.14Å
75	E	90.6	Very high	96.1	Very high	68 Å²	68	33.2 Å²	33.2	32%	0.318	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-42.5	180	-59.6	-68.9	-155	0	0	111.2	L73 R77 D78 K93 S498	L73-E75 HydrophobicContact CD2-CG 4.48Å; E75-R77 VanDerWaalsContact C-N 3.26Å; E75-R77 PolarHBondContact O-N 2.67Å; E75-D78 PolarHBondContact O-N 2.69Å; E75-K93 PolarHBondContact O-NZ 2.86Å; E75-K93 WeakPolarHBondContact OE2-CD 3.28Å; E75-K93 VanDerWaalsContact OE2-CE 3.22Å; E75-K93 WeakPolarHBondContact OE2-CE 3.39Å; E75-K93 IonicContact OE2-NZ 3.46Å; E75-K93 PolarHBondContact OE2-NZ 3.03Å; E75-S498 WeakPolarHBondContact OE1-CB 3.39Å; E75-S498 PolarHBondContact OE1-OG 3.34Å; E75-S498 PolarHBondContact OE2-OG 2.62Å
76	E	89	Confident	96.1	Very high	181 Å²	181	33.7 Å²	33.7	85%	0.846	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-29.9	-179.9	-61.2	-179.2	160.3	0	0	114.1
77	R	89.6	Confident	96.2	Very high	106 Å²	106	29.2 Å²	29.2	40%	0.4	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	7.3	-179.5	-72	179.8	146.6	-88.6	2	114.1	S74 E75 A79 D138	S74-R77 PolarHBondContact O-N 2.65Å; E75-R77 VanDerWaalsContact C-N 3.26Å; E75-R77 PolarHBondContact O-N 2.67Å; R77-A79 HydrophobicContact CB-CB 4.33Å; R77-A79 PolarHBondContact O-N 3.07Å; R77-D138 VanDerWaalsContact CZ-O 3.29Å; R77-D138 PolarHBondContact NE-O 2.85Å; R77-D138 VanDerWaalsContact NE-O 3.08Å; R77-D138 PolarHBondContact NH2-O 2.85Å
78	D	92.9	Very high	96.2	Very high	54 Å²	54	28.2 Å²	28.2	29%	0.289	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	31.1	-177.3	-149.1	53.9	0	0	0	113.7	S74 E75 K93 R94	S74-D78 PolarHBondContact O-N 3.46Å; E75-D78 PolarHBondContact O-N 2.69Å; D78-K93 WeakPolarHBondContact O-CG 3.32Å; D78-K93 PolarHBondContact O-N 3.17Å; D78-K93 WeakPolarHBondContact OD1-CE 3.43Å; D78-K93 IonicContact OD1-NZ 3.07Å; D78-K93 PolarHBondContact OD1-NZ 3.49Å; D78-R94 IonicContact OD1-CZ 2.65Å; D78-R94 VanDerWaalsContact OD1-CZ 3.29Å; D78-R94 IonicContact OD1-NE 2.67Å; D78-R94 PolarHBondContact OD1-NE 2.98Å; D78-R94 IonicContact OD1-NH2 2.62Å; D78-R94 PolarHBondContact OD1-NH2 3.17Å; D78-R94 IonicContact OD2-NE 3.65Å; D78-R94 PolarHBondContact OD2-NE 2.83Å; D78-R94 IonicContact OD2-NH2 2.71Å
79	A	95.9	Very high	96.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.8	-164.4	0	0	0	0	0	113.8	S74 R77 Y81 E90	S74-A79 PolarHBondContact N-O 3Å; S74-A79 PolarHBondContact O-N 2.86Å; S74-A79 VanDerWaalsContact O-N 3.14Å; R77-A79 HydrophobicContact CB-CB 4.33Å; R77-A79 PolarHBondContact O-N 3.07Å; A79-Y81 HydrophobicContact CB-CE1 4.3Å; A79-Y81 HydrophobicContact CB-CE2 4.28Å; A79-E90 HydrophobicContact CB-CG 4.04Å
80	L	98.3	Very high	96.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	112.2	166.9	176.4	67.6	0	0	0	108.7	L71 L73 V82 L91 K93 V96 L496 Y505 V512	L71-L80 HydrophobicContact CB-CD1 4.37Å; L73-L80 HydrophobicContact CB-CD1 4.45Å; L80-V82 HydrophobicContact CD2-CG2 4.41Å; L80-V82 HydrophobicContact CG-CG2 4.16Å; L80-L91 HydrophobicContact CB-CB 4.43Å; L80-L91 PolarHBondContact N-O 2.96Å; L80-L91 PolarHBondContact O-N 3.23Å; L80-K93 HydrophobicContact CB-CB 4.42Å; L80-V96 HydrophobicContact CD2-CG1 3.81Å; L80-L496 HydrophobicContact CD1-CD1 4.21Å; L80-Y505 HydrophobicContact CD2-CD1 3.66Å; L80-Y505 HydrophobicContact CD2-CE1 4.12Å; L80-Y505 HydrophobicContact CD2-CG 4.06Å; L80-V512 HydrophobicContact CD2-CG1 4.27Å
81	Y	98.6	Very high	96.4	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138	174.5	-54.8	-71	0	0	0	110.4	L72 A79 F89 E90 L141 L158 F161	L72-Y81 HydrophobicContact CD2-CD2 4.03Å; L72-Y81 HydrophobicContact CG-CD2 4.27Å; L72-Y81 PolarHBondContact N-O 3.12Å; L72-Y81 PolarHBondContact O-N 3.01Å; A79-Y81 HydrophobicContact CB-CE1 4.3Å; A79-Y81 HydrophobicContact CB-CE2 4.28Å; Y81-F89 WeakPolarHBondContact CA-O 3.27Å; Y81-E90 HydrophobicContact CD1-CB 4.09Å; Y81-E90 HydrophobicContact CD1-CG 4.06Å; Y81-E90 HydrophobicContact CE1-CB 4.1Å; Y81-E90 HydrophobicContact CE1-CG 3.72Å; Y81-L141 HydrophobicContact CD1-CD1 3.99Å; Y81-L141 HydrophobicContact CD2-CD1 3.91Å; Y81-L141 HydrophobicContact CE1-CD1 4.28Å; Y81-L141 HydrophobicContact CE2-CD1 4.19Å; Y81-L141 HydrophobicContact CE2-CD2 4.37Å; Y81-L141 HydrophobicContact CG-CD1 3.8Å; Y81-L158 HydrophobicContact CE1-CD2 3.75Å; Y81-L158 WeakPolarHBondContact OH-CD2 3.36Å; Y81-F161 AromaticContact CD1-CE2 3.98Å; Y81-F161 HydrophobicContact CD1-CE2 3.98Å; Y81-F161 HydrophobicContact CD1-CZ 4.42Å; Y81-F161 AromaticContact CE1-CE2 3.95Å; Y81-F161 HydrophobicContact CE1-CE2 3.95Å
82	V	98.8	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	114.9	-175.3	-176.6	0	0	0	0	110.1	Y68 L71 L80 I88 F89 L91 V512	Y68-V82 HydrophobicContact CD1-CG1 3.86Å; Y68-V82 HydrophobicContact CG-CG1 4.49Å; L71-V82 HydrophobicContact CD2-CB 4.27Å; L71-V82 HydrophobicContact CD2-CG1 3.86Å; L71-V82 HydrophobicContact CD2-CG2 3.85Å; L80-V82 HydrophobicContact CD2-CG2 4.41Å; L80-V82 HydrophobicContact CG-CG2 4.16Å; V82-I88 CarbonylContact O-C 3.53Å; V82-I88 VanDerWaalsContact O-CA 3.29Å; V82-I88 WeakPolarHBondContact O-CA 3.48Å; V82-F89 HydrophobicContact CB-CB 4.32Å; V82-F89 HydrophobicContact CB-CD2 4.45Å; V82-F89 PolarHBondContact N-O 3.33Å; V82-F89 PolarHBondContact O-N 2.95Å; V82-L91 HydrophobicContact CG2-CD1 3.71Å; V82-L91 HydrophobicContact CG2-CG 4.06Å; V82-V512 HydrophobicContact CG1-CG2 3.82Å; V82-V512 HydrophobicContact CG2-CG2 4.18Å
83	G	98.5	Very high	96.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.8	168.1	0	0	0	0	0	110.5	S69 T70	S69-G83 PolarHBondContact N-O 2.85Å; T70-G83 PolarHBondContact N-O 2.97Å; T70-G83 PolarHBondContact O-N 2.04Å
84	A	98.4	Very high	96.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	-173.3	179.5	0	0	0	0	0	111.1	I65 N67 Y68 D86 A87 F89 I130	I65-A84 HydrophobicContact CG2-CB 3.64Å; N67-A84 WeakPolarHBondContact O-CA 3.02Å; Y68-A84 HydrophobicContact CD1-CB 3.82Å; Y68-A84 HydrophobicContact CE1-CB 4.12Å; Y68-A84 HydrophobicContact CG-CB 4.27Å; A84-D86 PolarHBondContact O-N 2.92Å; A84-A87 PolarHBondContact N-O 3.18Å; A84-F89 HydrophobicContact CB-CD2 4.5Å; A84-F89 HydrophobicContact CB-CE2 3.98Å; A84-I130 VanDerWaalsContact O-CG1 3.31Å; A84-I130 WeakPolarHBondContact O-CG1 3.38Å; A84-I130 PolarHBondContact O-N 3.02Å
85	R	97.9	Very high	96.5	Very high	46 Å²	46	33.8 Å²	33.8	17%	0.174	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-69.9	121.8	171	-165.6	-178.4	74.7	175.1	-0	111.1	F66 N67 A87 E123 P127 Y129	F66-R85 VanDerWaalsContact O-CB 3.25Å; F66-R85 WeakPolarHBondContact O-CB 3.41Å; F66-R85 PolarHBondContact O-N 3.44Å; N67-R85 HydrophobicContact CB-CB 4.34Å; R85-A87 PolarHBondContact O-N 2.93Å; R85-A87 VanDerWaalsContact O-N 3.13Å; R85-E123 PolarHBondContact NH1-O 3.26Å; R85-E123 VanDerWaalsContact NH1-O 3.08Å; R85-P127 HydrophobicContact CG-CB 3.62Å; R85-P127 HydrophobicContact CG-CG 4.46Å; R85-Y129 HydrophobicContact CB-CE1 4.36Å; R85-Y129 VanDerWaalsContact CD-OH 3.28Å; R85-Y129 WeakPolarHBondContact CD-OH 2.99Å; R85-Y129 HydrophobicContact CG-CD1 4.43Å; R85-Y129 HydrophobicContact CG-CD2 4.32Å; R85-Y129 HydrophobicContact CG-CE1 4.16Å; R85-Y129 HydrophobicContact CG-CE2 4Å
86	D	97.9	Very high	96.8	Very high	21 Å²	21	30.5 Å²	30.5	11%	0.112	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	10	-179.4	-57	-55.4	0	0	0	116.3	A84 Q104 W105 K106 N128	A84-D86 PolarHBondContact O-N 2.92Å; D86-Q104 WeakPolarHBondContact O-CA 3.45Å; D86-W105 PolarHBondContact O-N 2.94Å; D86-K106 HydrophobicContact CB-CG 3.66Å; D86-N128 PolarHBondContact N-O 2.98Å; D86-N128 PolarHBondContact OD1-N 3.25Å
87	A	98.1	Very high	97.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	152.2	-175	0	0	0	0	0	113.1	I65 A84 R85 F89 V103	I65-A87 HydrophobicContact CD1-CB 4.04Å; I65-A87 HydrophobicContact CG1-CB 4.41Å; I65-A87 HydrophobicContact CG2-CB 4.23Å; A84-A87 PolarHBondContact N-O 3.18Å; R85-A87 PolarHBondContact O-N 2.93Å; R85-A87 VanDerWaalsContact O-N 3.13Å; A87-F89 HydrophobicContact CB-CE2 3.9Å; A87-F89 HydrophobicContact CB-CZ 3.97Å; A87-V103 WeakPolarHBondContact CA-O 3.49Å
88	I	98.6	Very high	97.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.7	169.3	-56.2	158.8	0	0	0	107.5	V82 K102 V103 I130 L133 I143 L156 F161	V82-I88 CarbonylContact O-C 3.53Å; V82-I88 VanDerWaalsContact O-CA 3.29Å; V82-I88 WeakPolarHBondContact O-CA 3.48Å; I88-K102 WeakPolarHBondContact O-CA 3.3Å; I88-V103 HydrophobicContact CB-CG1 3.73Å; I88-V103 HydrophobicContact CD1-CG1 4.25Å; I88-V103 HydrophobicContact CG1-CG1 4.41Å; I88-V103 PolarHBondContact N-O 3.16Å; I88-V103 PolarHBondContact O-N 2.96Å; I88-I130 HydrophobicContact CD1-CD1 4.02Å; I88-I130 HydrophobicContact CD1-CG1 4.28Å; I88-I130 HydrophobicContact CG1-CD1 4.05Å; I88-I130 HydrophobicContact CG1-CG1 3.77Å; I88-I130 HydrophobicContact CG1-CG2 4.34Å; I88-L133 HydrophobicContact CG2-CD1 4.31Å; I88-I143 HydrophobicContact CD1-CB 4.24Å; I88-I143 HydrophobicContact CD1-CD1 3.4Å; I88-I143 VanDerWaalsContact CD1-CD1 3.4Å; I88-I143 HydrophobicContact CD1-CG1 4.42Å; I88-I143 HydrophobicContact CD1-CG2 4.03Å; I88-L156 HydrophobicContact CG2-CD2 4.37Å; I88-F161 HydrophobicContact CG2-CZ 4.15Å
89	F	98.6	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.5	-179.1	-54.3	-91.6	0	0	0	111.3	F60 E62 I65 Y68 Y81 V82 A84 A87 L91 R99 Q101 K102	F60-F89 HydrophobicContact CE1-CD1 4.06Å; F60-F89 HydrophobicContact CE1-CD2 4.19Å; F60-F89 HydrophobicContact CE1-CE1 4.17Å; F60-F89 HydrophobicContact CE1-CE2 4.32Å; F60-F89 HydrophobicContact CE1-CG 4.05Å; F60-F89 HydrophobicContact CE1-CZ 4.3Å; F60-F89 AromaticContact CZ-CD1 3.79Å; F60-F89 HydrophobicContact CZ-CD1 3.79Å; F60-F89 AromaticContact CZ-CE1 3.84Å; F60-F89 HydrophobicContact CZ-CE1 3.84Å; F60-F89 HydrophobicContact CZ-CG 4.23Å; F60-F89 HydrophobicContact CZ-CZ 4.35Å; E62-F89 HydrophobicContact CB-CE1 3.98Å; E62-F89 HydrophobicContact CB-CZ 3.77Å; E62-F89 HydrophobicContact CG-CE1 4.06Å; E62-F89 HydrophobicContact CG-CZ 4.04Å; I65-F89 HydrophobicContact CB-CZ 4.36Å; I65-F89 HydrophobicContact CG1-CZ 4.27Å; I65-F89 HydrophobicContact CG2-CE2 3.91Å; I65-F89 HydrophobicContact CG2-CZ 3.97Å; Y68-F89 HydrophobicContact CD1-CE2 4.47Å; Y68-F89 AromaticContact CE1-CE2 3.91Å; Y68-F89 HydrophobicContact CE1-CE2 3.91Å; Y68-F89 HydrophobicContact CE1-CZ 4.47Å; Y81-F89 WeakPolarHBondContact CA-O 3.27Å; V82-F89 HydrophobicContact CB-CB 4.32Å; V82-F89 HydrophobicContact CB-CD2 4.45Å; V82-F89 PolarHBondContact N-O 3.33Å; V82-F89 PolarHBondContact O-N 2.95Å; A84-F89 HydrophobicContact CB-CD2 4.5Å; A84-F89 HydrophobicContact CB-CE2 3.98Å; A87-F89 HydrophobicContact CB-CE2 3.9Å; A87-F89 HydrophobicContact CB-CZ 3.97Å; F89-L91 HydrophobicContact CB-CD2 4.09Å; F89-L91 HydrophobicContact CB-CG 4.48Å; F89-R99 HydrophobicContact CD1-CG 4.05Å; F89-Q101 WeakPolarHBondContact CA-O 3.39Å; F89-K102 HydrophobicContact CD1-CB 4.07Å; F89-K102 HydrophobicContact CD1-CD 4.21Å; F89-K102 HydrophobicContact CD1-CG 3.79Å; F89-K102 HydrophobicContact CE1-CB 4.41Å; F89-K102 HydrophobicContact CE1-CD 3.7Å; F89-K102 HydrophobicContact CE1-CG 3.71Å
90	E	98.3	Very high	97.9	Very high	21 Å²	21	29.6 Å²	29.6	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.4	158.9	-175	-165.4	129.8	0	0	107.5	A79 Y81 N100 Q101 F161	A79-E90 HydrophobicContact CB-CG 4.04Å; Y81-E90 HydrophobicContact CD1-CB 4.09Å; Y81-E90 HydrophobicContact CD1-CG 4.06Å; Y81-E90 HydrophobicContact CE1-CB 4.1Å; Y81-E90 HydrophobicContact CE1-CG 3.72Å; E90-N100 HydrophobicContact CB-CB 4.31Å; E90-N100 HydrophobicContact CG-CB 4.11Å; E90-N100 PolarHBondContact O-N 2.84Å; E90-N100 VanDerWaalsContact OE1-CB 3.32Å; E90-N100 WeakPolarHBondContact OE1-CB 3.03Å; E90-N100 PolarHBondContact OE1-ND2 2.91Å; E90-Q101 HydrophobicContact CB-CB 3.97Å; E90-Q101 HydrophobicContact CB-CG 4.47Å; E90-Q101 PolarHBondContact N-O 2.82Å; E90-Q101 PolarHBondContact O-N 3.1Å; E90-Q101 PolarHBondContact OE2-NE2 2.77Å; E90-F161 HydrophobicContact CB-CD2 4.35Å; E90-F161 HydrophobicContact CB-CE2 3.7Å; E90-F161 HydrophobicContact CB-CZ 3.81Å
91	L	98.5	Very high	97.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	149	174.5	-50.8	-176.9	0	0	0	109.4	F60 L80 V82 F89 K93 V96 V98 R99	F60-L91 HydrophobicContact CB-CD1 3.94Å; F60-L91 HydrophobicContact CD1-CD1 3.62Å; F60-L91 HydrophobicContact CD1-CD2 3.89Å; F60-L91 HydrophobicContact CD1-CG 4.39Å; F60-L91 HydrophobicContact CD2-CD1 4.49Å; F60-L91 HydrophobicContact CD2-CD2 3.89Å; F60-L91 HydrophobicContact CE1-CD1 4.29Å; F60-L91 HydrophobicContact CE1-CD2 3.85Å; F60-L91 HydrophobicContact CE2-CD2 3.89Å; F60-L91 HydrophobicContact CG-CD1 3.73Å; F60-L91 HydrophobicContact CG-CD2 3.91Å; F60-L91 HydrophobicContact CZ-CD2 3.86Å; L80-L91 HydrophobicContact CB-CB 4.43Å; L80-L91 PolarHBondContact N-O 2.96Å; L80-L91 PolarHBondContact O-N 3.23Å; V82-L91 HydrophobicContact CG2-CD1 3.71Å; V82-L91 HydrophobicContact CG2-CG 4.06Å; F89-L91 HydrophobicContact CB-CD2 4.09Å; F89-L91 HydrophobicContact CB-CG 4.48Å; L91-K93 PolarHBondContact O-N 2.85Å; L91-V96 HydrophobicContact CD1-CB 4.19Å; L91-V98 WeakPolarHBondContact CA-O 3.4Å; L91-R99 HydrophobicContact CD2-CB 3.92Å; L91-R99 HydrophobicContact CD2-CG 4Å
92	N	97.7	Very high	97.8	Very high	39 Å²	39	35.6 Å²	35.6	21%	0.209	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	123.8	169.5	-177.4	-75.7	0	0	0	109.7	R94 N95 V96 V98	N92-R94 PolarHBondContact O-N 3.5Å; N92-R94 WeakPolarHBondContact OD1-CA 3.48Å; N92-R94 WeakPolarHBondContact OD1-CB 3.37Å; N92-R94 PolarHBondContact OD1-N 2.92Å; N92-N95 CarbonylContact O-C 3.49Å; N92-N95 PolarHBondContact O-N 2.83Å; N92-N95 PolarHBondContact OD1-N 3.44Å; N92-N95 VanDerWaalsContact OD1-N 3.09Å; N92-V96 PolarHBondContact O-N 2.98Å; N92-V98 HydrophobicContact CB-CB 3.99Å; N92-V98 HydrophobicContact CB-CG1 4.32Å; N92-V98 PolarHBondContact N-O 2.87Å
93	K	96.1	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-25.4	-175.6	75.4	173.7	-163.8	-156.7	0	113.4	L73 E75 D78 L80 L91 E500 T501 Y505	L73-K93 HydrophobicContact CD1-CB 4.15Å; L73-K93 HydrophobicContact CD1-CD 4.24Å; E75-K93 PolarHBondContact O-NZ 2.86Å; E75-K93 WeakPolarHBondContact OE2-CD 3.28Å; E75-K93 VanDerWaalsContact OE2-CE 3.22Å; E75-K93 WeakPolarHBondContact OE2-CE 3.39Å; E75-K93 IonicContact OE2-NZ 3.46Å; E75-K93 PolarHBondContact OE2-NZ 3.03Å; D78-K93 WeakPolarHBondContact O-CG 3.32Å; D78-K93 PolarHBondContact O-N 3.17Å; D78-K93 WeakPolarHBondContact OD1-CE 3.43Å; D78-K93 IonicContact OD1-NZ 3.07Å; D78-K93 PolarHBondContact OD1-NZ 3.49Å; L80-K93 HydrophobicContact CB-CB 4.42Å; L91-K93 PolarHBondContact O-N 2.85Å; K93-E500 WeakPolarHBondContact CE-OE1 3.38Å; K93-E500 IonicContact NZ-OE1 3.32Å; K93-E500 PolarHBondContact NZ-OE1 2.75Å; K93-E500 IonicContact NZ-OE2 3.46Å; K93-E500 PolarHBondContact NZ-OE2 3.02Å; K93-T501 HydrophobicContact CB-CG2 4.48Å; K93-T501 HydrophobicContact CD-CG2 3.83Å; K93-T501 VanDerWaalsContact CE-CG2 3.5Å; K93-T501 HydrophobicContact CG-CG2 3.74Å; K93-Y505 WeakPolarHBondContact O-CE1 3.38Å; K93-Y505 PolarHBondContact O-OH 2.89Å
94	R	95.9	Very high	97.7	Very high	118 Å²	118	41.1 Å²	41.1	45%	0.445	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-26.6	-178.9	-54.2	-179.8	-171	-81.6	-9.9	112.3	D78 N92 E500 T501 Q514	D78-R94 IonicContact OD1-CZ 2.65Å; D78-R94 VanDerWaalsContact OD1-CZ 3.29Å; D78-R94 IonicContact OD1-NE 2.67Å; D78-R94 PolarHBondContact OD1-NE 2.98Å; D78-R94 IonicContact OD1-NH2 2.62Å; D78-R94 PolarHBondContact OD1-NH2 3.17Å; D78-R94 IonicContact OD2-NE 3.65Å; D78-R94 PolarHBondContact OD2-NE 2.83Å; D78-R94 IonicContact OD2-NH2 2.71Å; N92-R94 PolarHBondContact O-N 3.5Å; N92-R94 WeakPolarHBondContact OD1-CA 3.48Å; N92-R94 WeakPolarHBondContact OD1-CB 3.37Å; N92-R94 PolarHBondContact OD1-N 2.92Å; R94-E500 IonicContact CZ-OE1 2.8Å; R94-E500 IonicContact NH1-OE1 2.61Å; R94-E500 PolarHBondContact NH1-OE1 2.89Å; R94-E500 IonicContact NH2-OE1 2.74Å; R94-E500 PolarHBondContact NH2-OE1 3.25Å; R94-T501 HydrophobicContact CG-CG2 4.08Å; R94-Q514 PolarHBondContact O-NE2 3.17Å; R94-Q514 PolarHBondContact O-OE1 3.16Å
95	N	97.3	Very high	97.6	Very high	53 Å²	53	42.2 Å²	42.2	28%	0.283	20%	0.2	S	C	.	.			trans	-147.3	96.4	175.5	179.9	-4.3	0	0	0	110.7	L58 N92 T97 V98	L58-N95 HydrophobicContact CD1-CB 4.24Å; N92-N95 CarbonylContact O-C 3.49Å; N92-N95 PolarHBondContact O-N 2.83Å; N92-N95 PolarHBondContact OD1-N 3.44Å; N92-N95 VanDerWaalsContact OD1-N 3.09Å; N95-T97 VanDerWaalsContact CG-OG1 3.31Å; N95-T97 PolarHBondContact ND2-OG1 3.44Å; N95-T97 PolarHBondContact O-N 2.99Å; N95-T97 WeakPolarHBondContact OD1-CB 3.3Å; N95-T97 WeakPolarHBondContact OD1-CG2 3.06Å; N95-T97 PolarHBondContact OD1-N 3.31Å; N95-T97 VanDerWaalsContact OD1-N 3.16Å; N95-T97 PolarHBondContact OD1-OG1 2.9Å; N95-V98 HydrophobicContact CB-CG2 4.48Å; N95-V98 PolarHBondContact O-N 3.48Å
96	V	97.8	Very high	97.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.8	-176.3	-65	0	0	0	0	114.7	L58 F60 L80 L91 N92 V98 Y505 Q514	L58-V96 HydrophobicContact CB-CG2 3.96Å; F60-V96 HydrophobicContact CB-CB 4.42Å; F60-V96 WeakPolarHBondContact CB-O 3.44Å; L80-V96 HydrophobicContact CD2-CG1 3.81Å; L91-V96 HydrophobicContact CD1-CB 4.19Å; N92-V96 PolarHBondContact O-N 2.98Å; V96-V98 PolarHBondContact O-N 2.88Å; V96-V98 VanDerWaalsContact O-N 3.16Å; V96-Y505 HydrophobicContact CG1-CD1 3.85Å; V96-Y505 HydrophobicContact CG1-CE1 3.92Å; V96-Q514 HydrophobicContact CB-CB 4.36Å; V96-Q514 HydrophobicContact CG1-CB 3.86Å; V96-Q514 HydrophobicContact CG1-CG 4.46Å; V96-Q514 HydrophobicContact CG2-CB 3.58Å
97	T	97.9	Very high	97.5	Very high	71 Å²	71	45.4 Å²	45.4	44%	0.436	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.5	174.6	70.1	0	0	0	0	112.4	L58 N95 R99	L58-T97 HydrophobicContact CB-CG2 4.25Å; L58-T97 HydrophobicContact CD2-CG2 4.21Å; N95-T97 VanDerWaalsContact CG-OG1 3.31Å; N95-T97 PolarHBondContact ND2-OG1 3.44Å; N95-T97 PolarHBondContact O-N 2.99Å; N95-T97 WeakPolarHBondContact OD1-CB 3.3Å; N95-T97 WeakPolarHBondContact OD1-CG2 3.06Å; N95-T97 PolarHBondContact OD1-N 3.31Å; N95-T97 VanDerWaalsContact OD1-N 3.16Å; N95-T97 PolarHBondContact OD1-OG1 2.9Å; T97-R99 PolarHBondContact O-N 2.89Å
98	V	98.1	Very high	97.4	Very high	68 Å²	68	48.3 Å²	48.3	41%	0.412	24%	0.239	S	C	.	.			trans	-90.5	101	178.8	-175.9	0	0	0	0	110	L91 N92 N95 V96 N100	L91-V98 WeakPolarHBondContact CA-O 3.4Å; N92-V98 HydrophobicContact CB-CB 3.99Å; N92-V98 HydrophobicContact CB-CG1 4.32Å; N92-V98 PolarHBondContact N-O 2.87Å; N95-V98 HydrophobicContact CB-CG2 4.48Å; N95-V98 PolarHBondContact O-N 3.48Å; V96-V98 PolarHBondContact O-N 2.88Å; V96-V98 VanDerWaalsContact O-N 3.16Å; V98-N100 PolarHBondContact O-N 3.06Å
99	R	97.6	Very high	97.4	Very high	111 Å²	111	53.3 Å²	53.3	42%	0.419	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	102.5	171	-174.3	-160.8	73.4	-168.8	0.7	110.4	F60 E62 F89 L91 T97	F60-R99 HydrophobicContact CE2-CB 3.77Å; F60-R99 HydrophobicContact CE2-CG 4.12Å; F60-R99 HydrophobicContact CZ-CB 4.29Å; F60-R99 HydrophobicContact CZ-CG 4.13Å; E62-R99 IonicContact OE1-NH1 3.36Å; E62-R99 PolarHBondContact OE1-NH1 2.88Å; E62-R99 IonicContact OE2-CZ 3.99Å; E62-R99 IonicContact OE2-NH1 3.26Å; E62-R99 PolarHBondContact OE2-NH1 2.87Å; F89-R99 HydrophobicContact CD1-CG 4.05Å; L91-R99 HydrophobicContact CD2-CB 3.92Å; L91-R99 HydrophobicContact CD2-CG 4Å; T97-R99 PolarHBondContact O-N 2.89Å
100	N	97	Very high	97.3	Very high	72 Å²	72	59.8 Å²	59.8	39%	0.385	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-57.4	175.7	-66.2	-7.3	0	0	0	110.7	E90 V98	E90-N100 HydrophobicContact CB-CB 4.31Å; E90-N100 HydrophobicContact CG-CB 4.11Å; E90-N100 PolarHBondContact O-N 2.84Å; E90-N100 VanDerWaalsContact OE1-CB 3.32Å; E90-N100 WeakPolarHBondContact OE1-CB 3.03Å; E90-N100 PolarHBondContact OE1-ND2 2.91Å; V98-N100 PolarHBondContact O-N 3.06Å
101	Q	97.5	Very high	97.2	Very high	62 Å²	62	59.8 Å²	59.8	29%	0.29	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159.7	-171.6	-50.7	-162.1	85.1	0	0	112	F89 E90 F161	F89-Q101 WeakPolarHBondContact CA-O 3.39Å; E90-Q101 HydrophobicContact CB-CB 3.97Å; E90-Q101 HydrophobicContact CB-CG 4.47Å; E90-Q101 PolarHBondContact N-O 2.82Å; E90-Q101 PolarHBondContact O-N 3.1Å; E90-Q101 PolarHBondContact OE2-NE2 2.77Å; Q101-F161 HydrophobicContact CB-CB 3.8Å; Q101-F161 HydrophobicContact CB-CD1 3.56Å; Q101-F161 HydrophobicContact CB-CD2 3.97Å; Q101-F161 HydrophobicContact CB-CE1 4.07Å; Q101-F161 HydrophobicContact CB-CE2 4.45Å; Q101-F161 HydrophobicContact CB-CG 3.5Å; Q101-F161 VanDerWaalsContact CB-CG 3.5Å; Q101-F161 HydrophobicContact CB-CZ 4.49Å; Q101-F161 HydrophobicContact CG-CB 4.26Å; Q101-F161 HydrophobicContact CG-CG 4.33Å
102	K	97.4	Very high	97.1	Very high	64 Å²	64	61 Å²	61	28%	0.278	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	133.4	-178.2	-179.3	-174.5	-174.5	-174.8	0	110.3	E62 I88 F89	E62-K102 VanDerWaalsContact CD-NZ 3.26Å; E62-K102 IonicContact OE1-NZ 2.79Å; E62-K102 PolarHBondContact OE1-NZ 3.12Å; E62-K102 IonicContact OE2-NZ 2.76Å; I88-K102 WeakPolarHBondContact O-CA 3.3Å; F89-K102 HydrophobicContact CD1-CB 4.07Å; F89-K102 HydrophobicContact CD1-CD 4.21Å; F89-K102 HydrophobicContact CD1-CG 3.79Å; F89-K102 HydrophobicContact CE1-CB 4.41Å; F89-K102 HydrophobicContact CE1-CD 3.7Å; F89-K102 HydrophobicContact CE1-CG 3.71Å
103	V	97.8	Very high	97.1	Very high	19 Å²	19	61.1 Å²	61.1	12%	0.115	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	143.5	167	65.7	0	0	0	0	109.6	A87 I88 L156 F161 L163	A87-V103 WeakPolarHBondContact CA-O 3.49Å; I88-V103 HydrophobicContact CB-CG1 3.73Å; I88-V103 HydrophobicContact CD1-CG1 4.25Å; I88-V103 HydrophobicContact CG1-CG1 4.41Å; I88-V103 PolarHBondContact N-O 3.16Å; I88-V103 PolarHBondContact O-N 2.96Å; V103-L156 HydrophobicContact CB-CD1 4.42Å; V103-L156 HydrophobicContact CG1-CD1 3.79Å; V103-F161 HydrophobicContact CB-CD1 4.15Å; V103-F161 HydrophobicContact CB-CE1 4.33Å; V103-F161 HydrophobicContact CG1-CD1 4.22Å; V103-F161 HydrophobicContact CG1-CE1 3.98Å; V103-L163 HydrophobicContact CG2-CG 4.03Å
104	Q	96.7	Very high	97.1	Very high	98 Å²	98	64.3 Å²	64.3	46%	0.458	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129	174.2	-68.2	-165	-38.6	0	0	109.6	D86	D86-Q104 WeakPolarHBondContact O-CA 3.45Å
105	W	97.1	Very high	97.2	Very high	23 Å²	23	58.8 Å²	58.8	9%	0.087	30%	0.297	C	S	.	.			trans	-126.8	60.3	178.8	-167.4	18.4	0	0	0	110.3	D86 N128 I130 I143 Q152 D154 L163	D86-W105 PolarHBondContact O-N 2.94Å; W105-N128 VanDerWaalsContact CD2-ND2 3.35Å; W105-N128 VanDerWaalsContact O-CB 3.32Å; W105-N128 WeakPolarHBondContact O-CB 3.41Å; W105-N128 PolarHBondContact O-ND2 3.47Å; W105-I130 HydrophobicContact CE3-CD1 3.53Å; W105-I130 HydrophobicContact CZ3-CD1 3.98Å; W105-I143 HydrophobicContact CD2-CD1 4.49Å; W105-I143 HydrophobicContact CE3-CD1 3.58Å; W105-I143 HydrophobicContact CE3-CG1 4.45Å; W105-I143 HydrophobicContact CH2-CD1 4.27Å; W105-I143 HydrophobicContact CH2-CG1 4.41Å; W105-I143 HydrophobicContact CZ3-CB 4.38Å; W105-I143 HydrophobicContact CZ3-CD1 3.46Å; W105-I143 VanDerWaalsContact CZ3-CD1 3.46Å; W105-I143 HydrophobicContact CZ3-CG1 3.83Å; W105-Q152 HydrophobicContact CH2-CB 4.32Å; W105-Q152 WeakPolarHBondContact CH2-O 3.47Å; W105-Q152 HydrophobicContact CZ2-CB 3.95Å; W105-D154 HydrophobicContact CH2-CB 4.17Å; W105-D154 HydrophobicContact CZ2-CB 4.17Å; W105-L163 HydrophobicContact CB-CD1 4.05Å; W105-L163 HydrophobicContact CD2-CD1 4.04Å; W105-L163 HydrophobicContact CG-CD1 3.69Å
106	K	96.8	Very high	97.2	Very high	121 Å²	121	58.4 Å²	58.4	53%	0.526	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-68.5	149.2	178.2	-73.9	172.8	176.4	178.5	0	111.6	D86	D86-K106 HydrophobicContact CB-CG 3.66Å
107	V	97.4	Very high	97.2	Very high	14 Å²	14	67.5 Å²	67.5	9%	0.085	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69.6	136.7	167.7	-172.5	0	0	0	0	110.1	P111 M112 N128 A148	V107-P111 HydrophobicContact CG1-CB 3.73Å; V107-P111 HydrophobicContact CG1-CG 4.49Å; V107-M112 HydrophobicContact CB-CE 3.91Å; V107-M112 HydrophobicContact CG1-CB 4.38Å; V107-M112 HydrophobicContact CG1-CE 4.48Å; V107-N128 HydrophobicContact CG2-CB 3.74Å; V107-A148 HydrophobicContact CB-CB 4.43Å; V107-A148 HydrophobicContact CG1-CB 3.56Å; V107-A148 HydrophobicContact CG2-CB 4.11Å
108	A	96.3	Very high	97	Very high	60 Å²	60	69.2 Å²	69.2	50%	0.496	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-69.2	157.8	171.2	0	0	0	0	0	112.6	H110 P111 M112	A108-H110 VanDerWaalsContact C-N 3.33Å; A108-H110 PolarHBondContact O-N 3.36Å; A108-P111 HydrophobicContact CB-CG 4.49Å; A108-P111 VanDerWaalsContact O-CD 3.31Å; A108-P111 WeakPolarHBondContact O-CD 3.19Å; A108-M112 WeakPolarHBondContact O-CB 3.42Å; A108-M112 PolarHBondContact O-N 2.83Å; A108-M112 VanDerWaalsContact O-N 3.11Å
109	E	97.1	Very high	96.9	Very high	105 Å²	105	69.4 Å²	69.4	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-59.5	-38.6	-174	-174.1	56.6	-144.7	0	0	113.5	M112 V113 R122	E109-M112 WeakPolarHBondContact O-CB 3.41Å; E109-M112 PolarHBondContact O-N 2.63Å; E109-V113 HydrophobicContact CG-CG2 4.45Å; E109-V113 WeakPolarHBondContact O-CG2 3.36Å; E109-V113 PolarHBondContact O-N 3.37Å; E109-V113 WeakPolarHBondContact OE1-CG2 3.33Å; E109-R122 IonicContact OE1-CZ 2.64Å; E109-R122 VanDerWaalsContact OE1-CZ 3.25Å; E109-R122 IonicContact OE1-NH1 2.7Å; E109-R122 PolarHBondContact OE1-NH1 2.6Å; E109-R122 IonicContact OE1-NH2 3.77Å; E109-R122 PolarHBondContact OE1-NH2 3.36Å; E109-R122 IonicContact OE2-CZ 3.25Å; E109-R122 IonicContact OE2-NH1 2.71Å; E109-R122 IonicContact OE2-NH2 2.89Å; E109-R122 PolarHBondContact OE2-NH2 3.26Å
110	H	96.8	Very high	96.9	Very high	137 Å²	137	66.7 Å²	66.7	63%	0.634	34%	0.34	S	S	*	.	H	α-helix	trans	-65.9	-53.1	-178.8	172.5	-92.1	0	0	0	113	A108 M112 V113 M114	A108-H110 VanDerWaalsContact C-N 3.33Å; A108-H110 PolarHBondContact O-N 3.36Å; H110-M112 VanDerWaalsContact C-N 3.27Å; H110-M112 PolarHBondContact O-N 3.26Å; H110-V113 PolarHBondContact O-N 3.22Å; H110-M114 WeakPolarHBondContact O-CG 3.49Å; H110-M114 PolarHBondContact O-N 2.89Å
111	P	96	Very high	96.9	Very high	21 Å²	21	64.9 Å²	64.9	14%	0.136	33%	0.333	C	S	.	.	H	α-helix	trans	-56.7	-37	170.7	-24.9	32	0	0	0	113.7	V107 A108 M114 C115 A148	V107-P111 HydrophobicContact CG1-CB 3.73Å; V107-P111 HydrophobicContact CG1-CG 4.49Å; A108-P111 HydrophobicContact CB-CG 4.49Å; A108-P111 VanDerWaalsContact O-CD 3.31Å; A108-P111 WeakPolarHBondContact O-CD 3.19Å; P111-M114 PolarHBondContact O-N 3.09Å; P111-C115 WeakPolarHBondContact O-CB 3.47Å; P111-C115 PolarHBondContact O-N 3.16Å; P111-A148 HydrophobicContact CB-CB 4.46Å
112	M	96.6	Very high	96.8	Very high	25 Å²	25	67 Å²	67	12%	0.123	34%	0.338	C	S	.	.	H	α-helix	trans	-59	-50.4	175.3	-168.6	73	78.5	0	0	111.5	V107 A108 E109 H110 M114 C115 T116 R122 C126	V107-M112 HydrophobicContact CB-CE 3.91Å; V107-M112 HydrophobicContact CG1-CB 4.38Å; V107-M112 HydrophobicContact CG1-CE 4.48Å; A108-M112 WeakPolarHBondContact O-CB 3.42Å; A108-M112 PolarHBondContact O-N 2.83Å; A108-M112 VanDerWaalsContact O-N 3.11Å; E109-M112 WeakPolarHBondContact O-CB 3.41Å; E109-M112 PolarHBondContact O-N 2.63Å; H110-M112 VanDerWaalsContact C-N 3.27Å; H110-M112 PolarHBondContact O-N 3.26Å; M112-M114 VanDerWaalsContact C-N 3.35Å; M112-M114 PolarHBondContact O-N 3.49Å; M112-C115 WeakPolarHBondContact O-CB 3.01Å; M112-C115 PolarHBondContact O-N 3.25Å; M112-T116 PolarHBondContact O-N 3.36Å; M112-R122 HydrophobicContact CG-CG 4Å; M112-R122 HydrophobicContact SD-CG 4.25Å; M112-C126 HydrophobicContact SD-CB 3.39Å; M112-C126 WeakPolarHBondContact SD-CB 3.28Å
113	V	97.4	Very high	96.6	Very high	41 Å²	41	71.2 Å²	71.2	25%	0.248	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-42.1	176.2	170.3	0	0	0	0	111.4	E109 H110 C115 T116 R117	E109-V113 HydrophobicContact CG-CG2 4.45Å; E109-V113 WeakPolarHBondContact O-CG2 3.36Å; E109-V113 PolarHBondContact O-N 3.37Å; E109-V113 WeakPolarHBondContact OE1-CG2 3.33Å; H110-V113 PolarHBondContact O-N 3.22Å; V113-C115 VanDerWaalsContact C-N 3.32Å; V113-C115 PolarHBondContact O-N 3.21Å; V113-T116 WeakPolarHBondContact CA-OG1 3.32Å; V113-T116 PolarHBondContact O-N 2.74Å; V113-T116 PolarHBondContact O-OG1 3.27Å; V113-R117 WeakPolarHBondContact O-CG 3.49Å; V113-R117 PolarHBondContact O-N 2.68Å
114	M	97.1	Very high	96.5	Very high	68 Å²	68	78.7 Å²	78.7	34%	0.335	39%	0.385	S	S	.	.	H	α-helix	trans	-65.5	-33.7	177.9	-69.7	-61.5	-73.6	0	0	112.6	H110 P111 M112 K118	H110-M114 WeakPolarHBondContact O-CG 3.49Å; H110-M114 PolarHBondContact O-N 2.89Å; P111-M114 PolarHBondContact O-N 3.09Å; M112-M114 VanDerWaalsContact C-N 3.35Å; M112-M114 PolarHBondContact O-N 3.49Å; M114-K118 WeakPolarHBondContact O-CG 3.39Å; M114-K118 PolarHBondContact O-N 3.2Å
115	C	97.3	Very high	96.4	Very high	1 Å²	1	76 Å²	76	1%	0.007	37%	0.374	C	S	.	.	H	α-helix	trans	-66.5	-44.9	171	172.9	0	0	0	0	111.8	P111 M112 V113 R117 K118 C126 A148	P111-C115 WeakPolarHBondContact O-CB 3.47Å; P111-C115 PolarHBondContact O-N 3.16Å; M112-C115 WeakPolarHBondContact O-CB 3.01Å; M112-C115 PolarHBondContact O-N 3.25Å; V113-C115 VanDerWaalsContact C-N 3.32Å; V113-C115 PolarHBondContact O-N 3.21Å; C115-R117 VanDerWaalsContact C-N 3.3Å; C115-R117 PolarHBondContact O-N 2.6Å; C115-K118 WeakPolarHBondContact O-CA 3.42Å; C115-K118 WeakPolarHBondContact O-CB 3.21Å; C115-K118 PolarHBondContact O-N 2.95Å; C115-C126 HydrophobicContact CB-CB 3.8Å; C115-C126 WeakPolarHBondContact CB-SG 3.39Å; C115-C126 WeakPolarHBondContact SG-CA 3.28Å; C115-C126 WeakPolarHBondContact SG-CB 3.21Å; C115-C126 CovalentContact SG-SG 2.04Å; C115-C126 PolarHBondContact SG-SG 3.43Å; C115-A148 HydrophobicContact CB-CB 3.8Å
116	T	97.4	Very high	96.4	Very high	46 Å²	46	74.9 Å²	74.9	28%	0.282	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-34.1	176.7	58.3	0	0	0	0	113.2	M112 V113 K118 G119 R122	M112-T116 PolarHBondContact O-N 3.36Å; V113-T116 WeakPolarHBondContact CA-OG1 3.32Å; V113-T116 PolarHBondContact O-N 2.74Å; V113-T116 PolarHBondContact O-OG1 3.27Å; T116-K118 PolarHBondContact O-N 3.03Å; T116-G119 PolarHBondContact O-N 3.46Å; T116-R122 HydrophobicContact CG2-CB 3.48Å; T116-R122 VanDerWaalsContact CG2-CB 3.48Å; T116-R122 HydrophobicContact CG2-CG 3.8Å
117	R	97	Very high	96.5	Very high	190 Å²	190	69.4 Å²	69.4	72%	0.717	35%	0.346	S	S	*	.	H	α-helix	trans	-65.1	-20	173.4	-75.2	174.6	176.5	-172.9	-2.8	113.3	V113 C115 G119	V113-R117 WeakPolarHBondContact O-CG 3.49Å; V113-R117 PolarHBondContact O-N 2.68Å; C115-R117 VanDerWaalsContact C-N 3.3Å; C115-R117 PolarHBondContact O-N 2.6Å; R117-G119 VanDerWaalsContact C-N 3.27Å
118	K	95.6	Very high	96.5	Very high	108 Å²	108	68.8 Å²	68.8	47%	0.47	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	13	171	-63.3	175.3	-178.2	-177.9	0	113	M114 C115 T116 F199	M114-K118 WeakPolarHBondContact O-CG 3.39Å; M114-K118 PolarHBondContact O-N 3.2Å; C115-K118 WeakPolarHBondContact O-CA 3.42Å; C115-K118 WeakPolarHBondContact O-CB 3.21Å; C115-K118 PolarHBondContact O-N 2.95Å; T116-K118 PolarHBondContact O-N 3.03Å; K118-F199 HydrophobicContact CB-CE2 4.48Å; K118-F199 HydrophobicContact CB-CZ 3.99Å; K118-F199 HydrophobicContact CD-CD2 4.38Å; K118-F199 HydrophobicContact CD-CE2 3.65Å; K118-F199 HydrophobicContact CD-CZ 3.91Å
119	G	95.9	Very high	96.6	Very high	71 Å²	71	66.7 Å²	66.7	73%	0.732	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	12.9	176.6	0	0	0	0	0	115.4	T116 R117	T116-G119 PolarHBondContact O-N 3.46Å; R117-G119 VanDerWaalsContact C-N 3.27Å
120	K	96.6	Very high	96.7	Very high	54 Å²	54	61.7 Å²	61.7	24%	0.235	30%	0.298	C	S	.	.			trans	-91.7	149	178.6	-67.7	-67.7	-174.3	166.5	0	111.8	R122 D125 F149 D177 F199	K120-R122 PolarHBondContact O-N 3.41Å; K120-D125 HydrophobicContact CB-CB 4.14Å; K120-D125 HydrophobicContact CD-CB 4.34Å; K120-F149 HydrophobicContact CB-CE2 4.11Å; K120-F149 HydrophobicContact CD-CE1 3.9Å; K120-F149 HydrophobicContact CD-CE2 3.78Å; K120-F149 HydrophobicContact CD-CZ 3.41Å; K120-F149 VanDerWaalsContact CD-CZ 3.41Å; K120-F149 HydrophobicContact CG-CD2 4.13Å; K120-F149 HydrophobicContact CG-CE1 4.31Å; K120-F149 HydrophobicContact CG-CE2 3.76Å; K120-F149 HydrophobicContact CG-CZ 3.88Å; K120-D177 IonicContact NZ-OD2 2.65Å; K120-D177 PolarHBondContact NZ-OD2 2.8Å; K120-F199 HydrophobicContact CG-CZ 4.2Å
121	S	96.8	Very high	96.7	Very high	34 Å²	34	56.4 Å²	56.4	24%	0.238	27%	0.273	C	S	.	.			trans	-68.2	124.9	-179.1	-178.8	0	0	0	0	111.6	E123 R124 D125 C126	S121-E123 PolarHBondContact O-N 3.37Å; S121-R124 PolarHBondContact OG-N 3.1Å; S121-D125 WeakPolarHBondContact CB-OD2 3.47Å; S121-D125 PolarHBondContact N-OD2 3.16Å; S121-D125 PolarHBondContact O-N 2.66Å; S121-C126 PolarHBondContact O-N 3.23Å; S121-C126 PolarHBondContact O-SG 3.19Å
122	R	96.1	Very high	96.8	Very high	108 Å²	108	55.5 Å²	55.5	41%	0.408	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-37.8	176.9	-165.8	174	164.7	99.6	4.4	113.2	E109 M112 T116 K120	E109-R122 IonicContact OE1-CZ 2.64Å; E109-R122 VanDerWaalsContact OE1-CZ 3.25Å; E109-R122 IonicContact OE1-NH1 2.7Å; E109-R122 PolarHBondContact OE1-NH1 2.6Å; E109-R122 IonicContact OE1-NH2 3.77Å; E109-R122 PolarHBondContact OE1-NH2 3.36Å; E109-R122 IonicContact OE2-CZ 3.25Å; E109-R122 IonicContact OE2-NH1 2.71Å; E109-R122 IonicContact OE2-NH2 2.89Å; E109-R122 PolarHBondContact OE2-NH2 3.26Å; M112-R122 HydrophobicContact CG-CG 4Å; M112-R122 HydrophobicContact SD-CG 4.25Å; T116-R122 HydrophobicContact CG2-CB 3.48Å; T116-R122 VanDerWaalsContact CG2-CB 3.48Å; T116-R122 HydrophobicContact CG2-CG 3.8Å; K120-R122 PolarHBondContact O-N 3.41Å
123	E	93.8	Very high	96.9	Very high	152 Å²	152	54.5 Å²	54.5	71%	0.71	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-27.9	-170.9	-63.9	174.7	178.8	0	0	113.3	R85 S121	R85-E123 PolarHBondContact NH1-O 3.26Å; R85-E123 VanDerWaalsContact NH1-O 3.08Å; S121-E123 PolarHBondContact O-N 3.37Å
124	R	94.2	Very high	96.9	Very high	175 Å²	175	54.5 Å²	54.5	66%	0.66	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-40.4	-175.7	-62.4	-167.7	-61.9	-128.5	1.4	113.8	S121 Y129	S121-R124 PolarHBondContact OG-N 3.1Å; R124-Y129 VanDerWaalsContact O-CE2 3.27Å; R124-Y129 WeakPolarHBondContact O-CE2 3.43Å; R124-Y129 PolarHBondContact O-OH 3.34Å
125	D	95.6	Very high	96.7	Very high	42 Å²	42	54.2 Å²	54.2	23%	0.225	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	-38.3	-166.6	-41.1	-24.8	0	0	0	111.3	K120 S121 F149	K120-D125 HydrophobicContact CB-CB 4.14Å; K120-D125 HydrophobicContact CD-CB 4.34Å; S121-D125 WeakPolarHBondContact CB-OD2 3.47Å; S121-D125 PolarHBondContact N-OD2 3.16Å; S121-D125 PolarHBondContact O-N 2.66Å; D125-F149 HydrophobicContact CB-CE2 3.69Å; D125-F149 HydrophobicContact CB-CZ 4.1Å; D125-F149 WeakPolarHBondContact O-CE2 3.16Å
126	C	97.5	Very high	96.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	S	Bend	trans	-76.9	-13.4	-178.1	-59.3	0	0	0	0	117.6	M112 C115 S121 A148	M112-C126 HydrophobicContact SD-CB 3.39Å; M112-C126 WeakPolarHBondContact SD-CB 3.28Å; C115-C126 HydrophobicContact CB-CB 3.8Å; C115-C126 WeakPolarHBondContact CB-SG 3.39Å; C115-C126 WeakPolarHBondContact SG-CA 3.28Å; C115-C126 WeakPolarHBondContact SG-CB 3.21Å; C115-C126 CovalentContact SG-SG 2.04Å; C115-C126 PolarHBondContact SG-SG 3.43Å; S121-C126 PolarHBondContact O-N 3.23Å; S121-C126 PolarHBondContact O-SG 3.19Å; C126-A148 HydrophobicContact CB-CB 4.39Å; C126-A148 WeakPolarHBondContact O-CA 3.13Å; C126-A148 WeakPolarHBondContact O-CB 3.48Å; C126-A148 PolarHBondContact O-N 3.06Å
127	P	97.9	Very high	96.2	Very high	6 Å²	6	56.1 Å²	56.1	4%	0.039	27%	0.268	C	S	.	.	S	Bend	trans	-60.3	168.1	170.1	-27.5	37.7	0	0	0	114.1	R85 Y129 T146	R85-P127 HydrophobicContact CG-CB 3.62Å; R85-P127 HydrophobicContact CG-CG 4.46Å; P127-Y129 HydrophobicContact CB-CD2 4.41Å; P127-Y129 HydrophobicContact CB-CE2 3.96Å; P127-Y129 HydrophobicContact CG-CE2 4.38Å; P127-Y129 PolarHBondContact O-N 2.89Å; P127-T146 PolarHBondContact O-OG1 3.02Å
128	N	98.4	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.265	C	S	.	.			trans	-88.5	103.3	175.9	-171.6	17.8	0	0	0	110.3	D86 W105 V107 G145 T146 H147	D86-N128 PolarHBondContact N-O 2.98Å; D86-N128 PolarHBondContact OD1-N 3.25Å; W105-N128 VanDerWaalsContact CD2-ND2 3.35Å; W105-N128 VanDerWaalsContact O-CB 3.32Å; W105-N128 WeakPolarHBondContact O-CB 3.41Å; W105-N128 PolarHBondContact O-ND2 3.47Å; V107-N128 HydrophobicContact CG2-CB 3.74Å; N128-G145 VanDerWaalsContact OD1-CA 3.27Å; N128-G145 WeakPolarHBondContact OD1-CA 3.16Å; N128-T146 PolarHBondContact OD1-N 2.97Å; N128-H147 WeakPolarHBondContact OD1-CA 3.37Å; N128-H147 PolarHBondContact OD1-N 3.49Å
129	Y	98.5	Very high	95.7	Very high	16 Å²	16	54.9 Å²	54.9	6%	0.063	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-88.3	116.2	174	-72.5	-104.7	0	0	0	109	N67 R85 R124 P127 G145 T146 P178	N67-Y129 HydrophobicContact CB-CD1 4.04Å; N67-Y129 HydrophobicContact CB-CE1 3.7Å; N67-Y129 VanDerWaalsContact CG-CE1 3.43Å; N67-Y129 VanDerWaalsContact OD1-CE1 3.26Å; N67-Y129 WeakPolarHBondContact OD1-CE1 3.34Å; N67-Y129 PolarHBondContact OD1-OH 2.97Å; R85-Y129 HydrophobicContact CB-CE1 4.36Å; R85-Y129 VanDerWaalsContact CD-OH 3.28Å; R85-Y129 WeakPolarHBondContact CD-OH 2.99Å; R85-Y129 HydrophobicContact CG-CD1 4.43Å; R85-Y129 HydrophobicContact CG-CD2 4.32Å; R85-Y129 HydrophobicContact CG-CE1 4.16Å; R85-Y129 HydrophobicContact CG-CE2 4Å; R124-Y129 VanDerWaalsContact O-CE2 3.27Å; R124-Y129 WeakPolarHBondContact O-CE2 3.43Å; R124-Y129 PolarHBondContact O-OH 3.34Å; P127-Y129 HydrophobicContact CB-CD2 4.41Å; P127-Y129 HydrophobicContact CB-CE2 3.96Å; P127-Y129 HydrophobicContact CG-CE2 4.38Å; P127-Y129 PolarHBondContact O-N 2.89Å; Y129-G145 CarbonylContact O-C 3.56Å; Y129-G145 WeakPolarHBondContact O-CA 3.41Å; Y129-T146 PolarHBondContact N-OG1 3.33Å; Y129-T146 PolarHBondContact O-N 2.9Å; Y129-P178 HydrophobicContact CD1-CB 3.89Å; Y129-P178 HydrophobicContact CD2-CB 3.57Å; Y129-P178 HydrophobicContact CD2-CG 4.02Å; Y129-P178 HydrophobicContact CE1-CB 4.12Å; Y129-P178 HydrophobicContact CE2-CB 3.87Å; Y129-P178 HydrophobicContact CE2-CG 3.98Å; Y129-P178 HydrophobicContact CG-CB 3.6Å
130	I	98.5	Very high	95.7	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.6	171.5	-54.2	-58.6	0	0	0	108.9	T70 A84 I88 W105	T70-I130 PolarHBondContact OG1-O 3.32Å; A84-I130 VanDerWaalsContact O-CG1 3.31Å; A84-I130 WeakPolarHBondContact O-CG1 3.38Å; A84-I130 PolarHBondContact O-N 3.02Å; I88-I130 HydrophobicContact CD1-CD1 4.02Å; I88-I130 HydrophobicContact CD1-CG1 4.28Å; I88-I130 HydrophobicContact CG1-CD1 4.05Å; I88-I130 HydrophobicContact CG1-CG1 3.77Å; I88-I130 HydrophobicContact CG1-CG2 4.34Å; W105-I130 HydrophobicContact CE3-CD1 3.53Å; W105-I130 HydrophobicContact CZ3-CD1 3.98Å
131	R	97.3	Very high	95.7	Very high	26 Å²	26	52.5 Å²	52.5	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-53.4	-176.5	-65.4	-70.3	147.3	149.2	-3.1	110.7	T70 C144 T146 P178 F182	T70-R131 WeakPolarHBondContact CG2-O 3.44Å; T70-R131 PolarHBondContact OG1-O 2.56Å; R131-C144 PolarHBondContact N-O 2.88Å; R131-T146 HydrophobicContact CG-CG2 4.2Å; R131-P178 PolarHBondContact NH1-O 2.99Å; R131-P178 VanDerWaalsContact NH2-CA 3.26Å; R131-P178 VanDerWaalsContact NH2-CB 3.32Å; R131-P178 PolarHBondContact NH2-O 3.08Å; R131-F182 HydrophobicContact CB-CD1 4.48Å; R131-F182 HydrophobicContact CB-CD2 4.08Å; R131-F182 HydrophobicContact CB-CE1 4.22Å; R131-F182 HydrophobicContact CB-CE2 3.79Å; R131-F182 HydrophobicContact CB-CG 4.42Å; R131-F182 HydrophobicContact CB-CZ 3.86Å; R131-F182 HydrophobicContact CG-CD1 4.48Å; R131-F182 HydrophobicContact CG-CE1 4.32Å; R131-F182 HydrophobicContact CG-CZ 4.43Å; R131-F182 WeakPolarHBondContact O-CE2 3.35Å; R131-F182 WeakPolarHBondContact O-CZ 3.41Å
132	V	97.9	Very high	95.8	Very high	2 Å²	2	51 Å²	51	1%	0.012	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	130.2	176.8	-174.2	0	0	0	0	108.5	Q134 Y142 I143 C144 K173 C174 A184 L191	V132-Q134 HydrophobicContact CG1-CB 4.48Å; V132-Q134 HydrophobicContact CG1-CG 3.84Å; V132-Y142 HydrophobicContact CG1-CD1 4.37Å; V132-I143 VanDerWaalsContact O-CA 3.29Å; V132-I143 WeakPolarHBondContact O-CA 3.27Å; V132-C144 HydrophobicContact CB-CB 3.76Å; V132-C144 HydrophobicContact CG2-CB 3.87Å; V132-C144 PolarHBondContact N-O 2.89Å; V132-C144 PolarHBondContact O-N 3.01Å; V132-K173 WeakPolarHBondContact CG2-O 3.01Å; V132-C174 HydrophobicContact CG2-CB 4.43Å; V132-A184 HydrophobicContact CG1-CB 4.39Å; V132-A184 HydrophobicContact CG2-CB 4.06Å; V132-L191 HydrophobicContact CG1-CD1 4.04Å
133	L	97.4	Very high	95.9	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	103.3	174.1	-179.7	61.5	0	0	0	105.9	T70 L72 I88 L141 I143	T70-L133 HydrophobicContact CG2-CB 3.58Å; T70-L133 HydrophobicContact CG2-CD2 4.19Å; L72-L133 HydrophobicContact CB-CD2 3.93Å; L72-L133 HydrophobicContact CB-CG 3.92Å; L72-L133 HydrophobicContact CD2-CG 3.95Å; I88-L133 HydrophobicContact CG2-CD1 4.31Å; L133-L141 HydrophobicContact CD1-CD1 3.69Å; L133-I143 HydrophobicContact CD1-CG2 3.63Å
134	Q	97.2	Very high	96.1	Very high	41 Å²	41	38.6 Å²	38.6	19%	0.192	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.6	-168.5	-72.3	-67.9	-22.6	0	0	111.2	V132 L141 Y142 A184 M186 L191	V132-Q134 HydrophobicContact CG1-CB 4.48Å; V132-Q134 HydrophobicContact CG1-CG 3.84Å; Q134-L141 CarbonylContact O-C 3.55Å; Q134-L141 WeakPolarHBondContact O-CA 3.38Å; Q134-L141 WeakPolarHBondContact O-CB 3.26Å; Q134-Y142 PolarHBondContact N-O 2.01Å; Q134-Y142 PolarHBondContact O-N 2.92Å; Q134-A184 PolarHBondContact NE2-O 3.3Å; Q134-M186 HydrophobicContact CB-CB 3.8Å; Q134-M186 HydrophobicContact CB-CE 4.33Å; Q134-M186 HydrophobicContact CG-CB 4.18Å; Q134-L191 HydrophobicContact CG-CD1 4.26Å
135	I	94.9	Very high	96.3	Very high	63 Å²	63	30.3 Å²	30.3	32%	0.323	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.3	175.2	-50.9	-178.1	0	0	0	109.1	L72 L141 M186	L72-I135 HydrophobicContact CD1-CG1 4.37Å; L72-I135 HydrophobicContact CD2-CG1 3.86Å; L72-I135 HydrophobicContact CG-CG1 4.48Å; I135-L141 HydrophobicContact CB-CD2 4.26Å; I135-L141 HydrophobicContact CG1-CD2 3.88Å; I135-M186 WeakPolarHBondContact O-CG 3.22Å
136	V	92.8	Very high	96.4	Very high	35 Å²	35	28.3 Å²	28.3	21%	0.212	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-50.9	174.1	177.7	0	0	0	0	110.4	R140 Y155 M186	V136-R140 WeakPolarHBondContact CB-O 3.24Å; V136-R140 PolarHBondContact N-O 3.32Å; V136-Y155 HydrophobicContact CG1-CE1 4.33Å; V136-Y155 HydrophobicContact CG2-CD1 4.21Å; V136-Y155 HydrophobicContact CG2-CE1 3.93Å; V136-M186 HydrophobicContact CG2-CE 4.03Å
137	D	90.6	Very high	96.4	Very high	51 Å²	51	28.9 Å²	28.9	27%	0.273	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	173.4	-175.9	60.1	56.5	0	0	0	108.5	K139 R140	D137-K139 PolarHBondContact O-N 2.87Å; D137-K139 WeakPolarHBondContact OD1-CA 3.36Å; D137-K139 WeakPolarHBondContact OD1-CB 3.36Å; D137-K139 PolarHBondContact OD1-N 2.77Å; D137-R140 PolarHBondContact N-O 3.45Å; D137-R140 PolarHBondContact O-N 2.85Å; D137-R140 PolarHBondContact OD1-N 2.69Å; D137-R140 IonicContact OD1-NE 3.67Å; D137-R140 IonicContact OD2-CZ 2.95Å; D137-R140 VanDerWaalsContact OD2-CZ 3.3Å; D137-R140 IonicContact OD2-NE 2.67Å; D137-R140 PolarHBondContact OD2-NE 2.66Å; D137-R140 IonicContact OD2-NH2 2.65Å; D137-R140 PolarHBondContact OD2-NH2 2.84Å
138	D	89.9	Confident	96.4	Very high	124 Å²	124	28.6 Å²	28.6	66%	0.663	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-15.5	-178.2	-49.7	-14.3	0	0	0	114.4	R77	R77-D138 VanDerWaalsContact CZ-O 3.29Å; R77-D138 PolarHBondContact NE-O 2.85Å; R77-D138 VanDerWaalsContact NE-O 3.08Å; R77-D138 PolarHBondContact NH2-O 2.85Å
139	K	92.9	Very high	96.3	Very high	148 Å²	148	28.7 Å²	28.7	64%	0.643	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-16.8	-173.4	-58.2	176.5	-176.3	173.8	0	113.5	D137 L158	D137-K139 PolarHBondContact O-N 2.87Å; D137-K139 WeakPolarHBondContact OD1-CA 3.36Å; D137-K139 WeakPolarHBondContact OD1-CB 3.36Å; D137-K139 PolarHBondContact OD1-N 2.77Å; K139-L158 WeakPolarHBondContact O-CB 3.2Å; K139-L158 PolarHBondContact O-N 3.1Å
140	R	95.1	Very high	96.2	Very high	75 Å²	75	31.5 Å²	31.5	28%	0.283	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	141.2	-168.7	-62.8	180	-62.2	157.1	8.7	114.1	V136 D137 Y155 L156 E164	V136-R140 WeakPolarHBondContact CB-O 3.24Å; V136-R140 PolarHBondContact N-O 3.32Å; D137-R140 PolarHBondContact N-O 3.45Å; D137-R140 PolarHBondContact O-N 2.85Å; D137-R140 PolarHBondContact OD1-N 2.69Å; D137-R140 IonicContact OD1-NE 3.67Å; D137-R140 IonicContact OD2-CZ 2.95Å; D137-R140 VanDerWaalsContact OD2-CZ 3.3Å; D137-R140 IonicContact OD2-NE 2.67Å; D137-R140 PolarHBondContact OD2-NE 2.66Å; D137-R140 IonicContact OD2-NH2 2.65Å; D137-R140 PolarHBondContact OD2-NH2 2.84Å; R140-Y155 HydrophobicContact CB-CD1 4.48Å; R140-L156 VanDerWaalsContact CA-O 3.27Å; R140-L156 WeakPolarHBondContact CA-O 3.47Å; R140-E164 WeakPolarHBondContact CD-OE1 3.35Å; R140-E164 IonicContact NH1-OE1 2.72Å
141	L	97.1	Very high	96.1	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	143.3	163.1	-50.6	-177.2	0	0	0	110	L72 Y81 L133 Q134 I135 I143 Y155 L156 L158	L72-L141 HydrophobicContact CD2-CD1 4.33Å; L72-L141 HydrophobicContact CD2-CD2 4.11Å; Y81-L141 HydrophobicContact CD1-CD1 3.99Å; Y81-L141 HydrophobicContact CD2-CD1 3.91Å; Y81-L141 HydrophobicContact CE1-CD1 4.28Å; Y81-L141 HydrophobicContact CE2-CD1 4.19Å; Y81-L141 HydrophobicContact CE2-CD2 4.37Å; Y81-L141 HydrophobicContact CG-CD1 3.8Å; L133-L141 HydrophobicContact CD1-CD1 3.69Å; Q134-L141 CarbonylContact O-C 3.55Å; Q134-L141 WeakPolarHBondContact O-CA 3.38Å; Q134-L141 WeakPolarHBondContact O-CB 3.26Å; I135-L141 HydrophobicContact CB-CD2 4.26Å; I135-L141 HydrophobicContact CG1-CD2 3.88Å; L141-I143 HydrophobicContact CB-CG2 4.26Å; L141-Y155 WeakPolarHBondContact O-CA 3.31Å; L141-L156 HydrophobicContact CB-CB 4.28Å; L141-L156 HydrophobicContact CD1-CD2 4.13Å; L141-L156 PolarHBondContact N-O 3.32Å; L141-L156 PolarHBondContact O-N 2.81Å; L141-L158 HydrophobicContact CD1-CD2 4.03Å; L141-L158 HydrophobicContact CD2-CD1 4.04Å; L141-L158 HydrophobicContact CD2-CD2 4.34Å; L141-L158 HydrophobicContact CG-CD1 4.27Å; L141-L158 HydrophobicContact CG-CD2 3.81Å; L141-L158 HydrophobicContact CG-CG 4.22Å
142	Y	97.6	Very high	96.1	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.6	164.1	-165.7	-105.4	0	0	0	108.4	V132 Q134 C144 C153 Y155 E168 K173 M186 L191	V132-Y142 HydrophobicContact CG1-CD1 4.37Å; Q134-Y142 PolarHBondContact N-O 2.01Å; Q134-Y142 PolarHBondContact O-N 2.92Å; Y142-C144 WeakPolarHBondContact CE1-SG 3.3Å; Y142-C153 HydrophobicContact CE1-CB 3.84Å; Y142-C153 HydrophobicContact CE2-CB 4.21Å; Y142-C153 WeakPolarHBondContact OH-CB 3.27Å; Y142-C153 PolarHBondContact OH-SG 2.87Å; Y142-Y155 HydrophobicContact CD2-CD1 4.06Å; Y142-Y155 HydrophobicContact CD2-CD2 4.39Å; Y142-Y155 AromaticContact CD2-CE1 3.63Å; Y142-Y155 HydrophobicContact CD2-CE1 3.63Å; Y142-Y155 AromaticContact CD2-CE2 3.99Å; Y142-Y155 HydrophobicContact CD2-CE2 3.99Å; Y142-Y155 HydrophobicContact CD2-CG 4.42Å; Y142-Y155 AromaticContact CD2-CZ 3.58Å; Y142-Y155 HydrophobicContact CE2-CE1 4.3Å; Y142-Y155 AromaticContact CE2-CE2 3.9Å; Y142-Y155 HydrophobicContact CE2-CE2 3.9Å; Y142-Y155 AromaticContact CE2-CZ 3.77Å; Y142-E168 PolarHBondContact OH-OE2 3.33Å; Y142-E168 VanDerWaalsContact OH-OE2 3.12Å; Y142-K173 HydrophobicContact CE1-CD 4.37Å; Y142-K173 VanDerWaalsContact OH-CD 3.25Å; Y142-K173 WeakPolarHBondContact OH-CD 3.47Å; Y142-K173 WeakPolarHBondContact OH-CE 3.42Å; Y142-K173 PolarHBondContact OH-NZ 2.96Å; Y142-M186 HydrophobicContact CD1-CE 4.14Å; Y142-M186 HydrophobicContact CG-CE 3.96Å; Y142-L191 HydrophobicContact CD1-CD1 4.5Å; Y142-L191 HydrophobicContact CD1-CD2 4.13Å; Y142-L191 HydrophobicContact CE1-CD2 3.77Å
143	I	97.9	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146	-176.3	59.7	161.1	0	0	0	110.4	I88 W105 V132 L133 L141 C153 D154 L156 L163	I88-I143 HydrophobicContact CD1-CB 4.24Å; I88-I143 HydrophobicContact CD1-CD1 3.4Å; I88-I143 VanDerWaalsContact CD1-CD1 3.4Å; I88-I143 HydrophobicContact CD1-CG1 4.42Å; I88-I143 HydrophobicContact CD1-CG2 4.03Å; W105-I143 HydrophobicContact CD2-CD1 4.49Å; W105-I143 HydrophobicContact CE3-CD1 3.58Å; W105-I143 HydrophobicContact CE3-CG1 4.45Å; W105-I143 HydrophobicContact CH2-CD1 4.27Å; W105-I143 HydrophobicContact CH2-CG1 4.41Å; W105-I143 HydrophobicContact CZ3-CB 4.38Å; W105-I143 HydrophobicContact CZ3-CD1 3.46Å; W105-I143 VanDerWaalsContact CZ3-CD1 3.46Å; W105-I143 HydrophobicContact CZ3-CG1 3.83Å; V132-I143 VanDerWaalsContact O-CA 3.29Å; V132-I143 WeakPolarHBondContact O-CA 3.27Å; L133-I143 HydrophobicContact CD1-CG2 3.63Å; L141-I143 HydrophobicContact CB-CG2 4.26Å; I143-C153 CarbonylContact O-C 3.59Å; I143-C153 WeakPolarHBondContact O-CA 3.27Å; I143-C153 VanDerWaalsContact O-CB 3.31Å; I143-C153 WeakPolarHBondContact O-CB 3.46Å; I143-D154 HydrophobicContact CG1-CB 4.38Å; I143-D154 WeakPolarHBondContact CG1-O 3.19Å; I143-D154 PolarHBondContact N-O 2.95Å; I143-D154 PolarHBondContact O-N 2.95Å; I143-L156 HydrophobicContact CG2-CB 4.37Å; I143-L163 HydrophobicContact CD1-CD2 3.32Å; I143-L163 HydrophobicContact CG1-CD2 4.49Å
144	C	98.2	Very high	96.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	149.2	169.7	-48.2	0	0	0	0	111.2	R131 V132 Y142 Q152 C153 C174	R131-C144 PolarHBondContact N-O 2.88Å; V132-C144 HydrophobicContact CB-CB 3.76Å; V132-C144 HydrophobicContact CG2-CB 3.87Å; V132-C144 PolarHBondContact N-O 2.89Å; V132-C144 PolarHBondContact O-N 3.01Å; Y142-C144 WeakPolarHBondContact CE1-SG 3.3Å; C144-Q152 CarbonylContact C-O 3.48Å; C144-Q152 WeakPolarHBondContact CA-O 3.46Å; C144-Q152 WeakPolarHBondContact CB-O 3.43Å; C144-C153 HydrophobicContact CB-CB 4.01Å; C144-C153 WeakPolarHBondContact CB-SG 3.27Å; C144-C153 WeakPolarHBondContact SG-CB 3.42Å; C144-C153 CovalentContact SG-SG 2.04Å; C144-C153 PolarHBondContact SG-SG 2.82Å; C144-C174 HydrophobicContact CB-CB 3.64Å
145	G	98.2	Very high	96.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	165.2	172.4	0	0	0	0	0	113.8	N128 Y129 H147 P151 Q152 C174	N128-G145 VanDerWaalsContact OD1-CA 3.27Å; N128-G145 WeakPolarHBondContact OD1-CA 3.16Å; Y129-G145 CarbonylContact O-C 3.56Å; Y129-G145 WeakPolarHBondContact O-CA 3.41Å; G145-H147 PolarHBondContact O-N 3.36Å; G145-P151 WeakPolarHBondContact O-CA 3.44Å; G145-Q152 PolarHBondContact N-O 2.67Å; G145-Q152 PolarHBondContact O-N 2.79Å; G145-Q152 VanDerWaalsContact O-N 3.08Å; G145-C174 VanDerWaalsContact C-SG 3.57Å
146	T	98	Very high	96.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.136	C	C	.	.			trans	-63.5	-25.2	-174.1	59.3	0	0	0	0	113.9	P127 N128 Y129 R131 A148 F149 Q150	P127-T146 PolarHBondContact O-OG1 3.02Å; N128-T146 PolarHBondContact OD1-N 2.97Å; Y129-T146 PolarHBondContact N-OG1 3.33Å; Y129-T146 PolarHBondContact O-N 2.9Å; R131-T146 HydrophobicContact CG-CG2 4.2Å; T146-A148 PolarHBondContact O-N 3.16Å; T146-F149 WeakPolarHBondContact O-CA 3.26Å; T146-F149 PolarHBondContact O-N 3.47Å; T146-Q150 CarbonylContact O-C 3.52Å; T146-Q150 PolarHBondContact O-N 2.86Å
147	H	97.6	Very high	96.4	Very high	12 Å²	12	29.2 Å²	29.2	6%	0.056	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	32.9	65.8	176.8	-159	103.5	0	0	0	114.3	N128 G145 F149 Q150 Q152	N128-H147 WeakPolarHBondContact OD1-CA 3.37Å; N128-H147 PolarHBondContact OD1-N 3.49Å; G145-H147 PolarHBondContact O-N 3.36Å; H147-F149 PolarHBondContact O-N 3.34Å; H147-Q150 PolarHBondContact O-N 3.25Å; H147-Q150 VanDerWaalsContact O-N 3.16Å; H147-Q152 HydrophobicContact CB-CB 4.28Å; H147-Q152 HydrophobicContact CB-CG 4.4Å; H147-Q152 PolarHBondContact CD2-NE2 2.85Å; H147-Q152 VanDerWaalsContact CD2-NE2 3.3Å; H147-Q152 PolarHBondContact CE1-OE1 3.44Å; H147-Q152 PolarHBondContact ND1-OE1 3.49Å
148	A	97.4	Very high	96.6	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	45.7	-179.6	0	0	0	0	0	115.1	V107 P111 C115 C126 T146 Q150	V107-A148 HydrophobicContact CB-CB 4.43Å; V107-A148 HydrophobicContact CG1-CB 3.56Å; V107-A148 HydrophobicContact CG2-CB 4.11Å; P111-A148 HydrophobicContact CB-CB 4.46Å; C115-A148 HydrophobicContact CB-CB 3.8Å; C126-A148 HydrophobicContact CB-CB 4.39Å; C126-A148 WeakPolarHBondContact O-CA 3.13Å; C126-A148 WeakPolarHBondContact O-CB 3.48Å; C126-A148 PolarHBondContact O-N 3.06Å; T146-A148 PolarHBondContact O-N 3.16Å; A148-Q150 PolarHBondContact O-N 3.41Å
149	F	96.6	Very high	96.8	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	36.3	-175.6	-65.9	-109.5	0	0	0	113	K120 D125 T146 H147 F176 D177 F199	K120-F149 HydrophobicContact CB-CE2 4.11Å; K120-F149 HydrophobicContact CD-CE1 3.9Å; K120-F149 HydrophobicContact CD-CE2 3.78Å; K120-F149 HydrophobicContact CD-CZ 3.41Å; K120-F149 VanDerWaalsContact CD-CZ 3.41Å; K120-F149 HydrophobicContact CG-CD2 4.13Å; K120-F149 HydrophobicContact CG-CE1 4.31Å; K120-F149 HydrophobicContact CG-CE2 3.76Å; K120-F149 HydrophobicContact CG-CZ 3.88Å; D125-F149 HydrophobicContact CB-CE2 3.69Å; D125-F149 HydrophobicContact CB-CZ 4.1Å; D125-F149 WeakPolarHBondContact O-CE2 3.16Å; T146-F149 WeakPolarHBondContact O-CA 3.26Å; T146-F149 PolarHBondContact O-N 3.47Å; H147-F149 PolarHBondContact O-N 3.34Å; F149-F176 HydrophobicContact CD1-CB 4.11Å; F149-F176 WeakPolarHBondContact CD1-O 3.36Å; F149-F176 WeakPolarHBondContact O-CD1 3.21Å; F149-D177 HydrophobicContact CD1-CB 4.41Å; F149-D177 VanDerWaalsContact CE1-CA 3.49Å; F149-D177 HydrophobicContact CE1-CB 3.49Å; F149-D177 VanDerWaalsContact CE1-CB 3.49Å; F149-D177 WeakPolarHBondContact CE1-OD2 3.34Å; F149-D177 HydrophobicContact CZ-CB 3.92Å; F149-D177 WeakPolarHBondContact CZ-OD2 3.3Å; F149-F199 HydrophobicContact CB-CD2 3.63Å; F149-F199 HydrophobicContact CB-CE2 3.39Å; F149-F199 AromaticContact CD1-CD2 3.81Å; F149-F199 HydrophobicContact CD1-CD2 3.81Å; F149-F199 AromaticContact CD1-CE2 3.5Å; F149-F199 HydrophobicContact CD1-CE2 3.5Å; F149-F199 HydrophobicContact CD1-CZ 4.01Å; F149-F199 HydrophobicContact CE1-CE2 4.47Å; F149-F199 HydrophobicContact CG-CD2 4.1Å; F149-F199 AromaticContact CG-CE2 3.62Å; F149-F199 HydrophobicContact CG-CE2 3.62Å; F149-F199 HydrophobicContact CG-CZ 4.37Å
150	Q	96.4	Very high	96.8	Very high	75 Å²	75	22.6 Å²	22.6	35%	0.35	12%	0.121	S	C	.	.	S	Bend	trans	-139.4	75.8	171.4	-63.1	178.3	46.4	0	0	106.8	T146 H147 A148 Q152	T146-Q150 CarbonylContact O-C 3.52Å; T146-Q150 PolarHBondContact O-N 2.86Å; H147-Q150 PolarHBondContact O-N 3.25Å; H147-Q150 VanDerWaalsContact O-N 3.16Å; A148-Q150 PolarHBondContact O-N 3.41Å; Q150-Q152 PolarHBondContact O-N 2.78Å
151	P	97.3	Very high	96.9	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.013	11%	0.109	C	C	.	.			trans	-52.3	130	-170.2	-28.6	36.7	0	0	0	111.6	G145 G170 C174 S175 F176	G145-P151 WeakPolarHBondContact O-CA 3.44Å; P151-G170 VanDerWaalsContact O-CA 3.3Å; P151-G170 WeakPolarHBondContact O-CA 3.4Å; P151-G170 PolarHBondContact O-N 2.83Å; P151-C174 HydrophobicContact CB-CB 4.13Å; P151-S175 WeakPolarHBondContact CG-O 3.45Å; P151-F176 VanDerWaalsContact CD-CD1 3.42Å; P151-F176 HydrophobicContact CG-CB 4.35Å; P151-F176 HydrophobicContact CG-CD1 3.93Å; P151-F176 HydrophobicContact CG-CD2 3.74Å; P151-F176 HydrophobicContact CG-CE1 4.1Å; P151-F176 HydrophobicContact CG-CE2 3.91Å; P151-F176 HydrophobicContact CG-CG 3.73Å; P151-F176 HydrophobicContact CG-CZ 4.09Å
152	Q	97.8	Very high	96.9	Very high	42 Å²	42	21.7 Å²	21.7	20%	0.196	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	146.6	178.9	-77.6	172.5	22.1	0	0	109.4	W105 C144 G145 H147 Q150 E168	W105-Q152 HydrophobicContact CH2-CB 4.32Å; W105-Q152 WeakPolarHBondContact CH2-O 3.47Å; W105-Q152 HydrophobicContact CZ2-CB 3.95Å; C144-Q152 CarbonylContact C-O 3.48Å; C144-Q152 WeakPolarHBondContact CA-O 3.46Å; C144-Q152 WeakPolarHBondContact CB-O 3.43Å; G145-Q152 PolarHBondContact N-O 2.67Å; G145-Q152 PolarHBondContact O-N 2.79Å; G145-Q152 VanDerWaalsContact O-N 3.08Å; H147-Q152 HydrophobicContact CB-CB 4.28Å; H147-Q152 HydrophobicContact CB-CG 4.4Å; H147-Q152 PolarHBondContact CD2-NE2 2.85Å; H147-Q152 VanDerWaalsContact CD2-NE2 3.3Å; H147-Q152 PolarHBondContact CE1-OE1 3.44Å; H147-Q152 PolarHBondContact ND1-OE1 3.49Å; Q150-Q152 PolarHBondContact O-N 2.78Å; Q152-E168 WeakPolarHBondContact CA-O 3.47Å
153	C	97.9	Very high	96.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.6	169.7	-57.1	0	0	0	0	110.7	Y142 I143 C144 P167 E168 K173	Y142-C153 HydrophobicContact CE1-CB 3.84Å; Y142-C153 HydrophobicContact CE2-CB 4.21Å; Y142-C153 WeakPolarHBondContact OH-CB 3.27Å; Y142-C153 PolarHBondContact OH-SG 2.87Å; I143-C153 CarbonylContact O-C 3.59Å; I143-C153 WeakPolarHBondContact O-CA 3.27Å; I143-C153 VanDerWaalsContact O-CB 3.31Å; I143-C153 WeakPolarHBondContact O-CB 3.46Å; C144-C153 HydrophobicContact CB-CB 4.01Å; C144-C153 WeakPolarHBondContact CB-SG 3.27Å; C144-C153 WeakPolarHBondContact SG-CB 3.42Å; C144-C153 CovalentContact SG-SG 2.04Å; C144-C153 PolarHBondContact SG-SG 2.82Å; C153-P167 CarbonylContact O-C 3.52Å; C153-P167 VanDerWaalsContact O-CA 3.23Å; C153-P167 WeakPolarHBondContact O-CA 3.5Å; C153-E168 HydrophobicContact CB-CB 4.43Å; C153-E168 PolarHBondContact N-O 2.71Å; C153-E168 PolarHBondContact O-N 3.16Å; C153-K173 VanDerWaalsContact SG-CD 3.6Å
154	D	97.4	Very high	96.7	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.011	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	172.7	173.4	-155.7	-10	0	0	0	109	W105 I143 G165 R166	W105-D154 HydrophobicContact CH2-CB 4.17Å; W105-D154 HydrophobicContact CZ2-CB 4.17Å; I143-D154 HydrophobicContact CG1-CB 4.38Å; I143-D154 WeakPolarHBondContact CG1-O 3.19Å; I143-D154 PolarHBondContact N-O 2.95Å; I143-D154 PolarHBondContact O-N 2.95Å; D154-G165 WeakPolarHBondContact OD2-CA 3.37Å; D154-G165 PolarHBondContact OD2-N 2.87Å; D154-R166 PolarHBondContact OD1-N 2.95Å; D154-R166 PolarHBondContact OD2-N 3.45Å
155	Y	97	Very high	96.5	Very high	35 Å²	35	29.9 Å²	29.9	14%	0.137	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.8	170	-68.5	-94.3	0	0	0	109.9	V136 R140 L141 Y142 E164	V136-Y155 HydrophobicContact CG1-CE1 4.33Å; V136-Y155 HydrophobicContact CG2-CD1 4.21Å; V136-Y155 HydrophobicContact CG2-CE1 3.93Å; R140-Y155 HydrophobicContact CB-CD1 4.48Å; L141-Y155 WeakPolarHBondContact O-CA 3.31Å; Y142-Y155 HydrophobicContact CD2-CD1 4.06Å; Y142-Y155 HydrophobicContact CD2-CD2 4.39Å; Y142-Y155 AromaticContact CD2-CE1 3.63Å; Y142-Y155 HydrophobicContact CD2-CE1 3.63Å; Y142-Y155 AromaticContact CD2-CE2 3.99Å; Y142-Y155 HydrophobicContact CD2-CE2 3.99Å; Y142-Y155 HydrophobicContact CD2-CG 4.42Å; Y142-Y155 AromaticContact CD2-CZ 3.58Å; Y142-Y155 HydrophobicContact CE2-CE1 4.3Å; Y142-Y155 AromaticContact CE2-CE2 3.9Å; Y142-Y155 HydrophobicContact CE2-CE2 3.9Å; Y142-Y155 AromaticContact CE2-CZ 3.77Å; Y155-E164 WeakPolarHBondContact CB-OE1 3.41Å; Y155-E164 PolarHBondContact O-N 3.4Å
156	L	97.3	Very high	96.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119	172.2	-176.3	75.1	0	0	0	109.1	I88 V103 R140 L141 I143 F161 L163	I88-L156 HydrophobicContact CG2-CD2 4.37Å; V103-L156 HydrophobicContact CB-CD1 4.42Å; V103-L156 HydrophobicContact CG1-CD1 3.79Å; R140-L156 VanDerWaalsContact CA-O 3.27Å; R140-L156 WeakPolarHBondContact CA-O 3.47Å; L141-L156 HydrophobicContact CB-CB 4.28Å; L141-L156 HydrophobicContact CD1-CD2 4.13Å; L141-L156 PolarHBondContact N-O 3.32Å; L141-L156 PolarHBondContact O-N 2.81Å; I143-L156 HydrophobicContact CG2-CB 4.37Å; L156-F161 HydrophobicContact CD2-CD2 4.1Å; L156-F161 HydrophobicContact CD2-CE1 4.4Å; L156-F161 HydrophobicContact CD2-CE2 3.69Å; L156-F161 HydrophobicContact CD2-CZ 3.87Å; L156-L163 HydrophobicContact CD1-CD2 3.79Å
157	N	96.7	Very high	95.9	Very high	43 Å²	43	42.6 Å²	42.6	23%	0.23	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	121.6	175.1	178.3	6.5	0	0	0	110.4	A159 D160 F161 S162	N157-A159 VanDerWaalsContact C-N 3.29Å; N157-A159 PolarHBondContact O-N 3.36Å; N157-A159 WeakPolarHBondContact OD1-CB 3.4Å; N157-A159 PolarHBondContact OD1-N 3.29Å; N157-D160 WeakPolarHBondContact CB-OD1 2.98Å; N157-D160 VanDerWaalsContact ND2-CG 3.33Å; N157-D160 PolarHBondContact ND2-OD1 3.35Å; N157-D160 PolarHBondContact ND2-OD2 3.01Å; N157-F161 WeakPolarHBondContact O-CA 3.39Å; N157-F161 PolarHBondContact O-N 2.78Å; N157-S162 PolarHBondContact N-O 2.94Å
158	L	95.1	Very high	95.8	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.037	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-6.5	-178.3	-67.3	175.9	0	0	0	114.3	Y81 K139 L141	Y81-L158 HydrophobicContact CE1-CD2 3.75Å; Y81-L158 WeakPolarHBondContact OH-CD2 3.36Å; K139-L158 WeakPolarHBondContact O-CB 3.2Å; K139-L158 PolarHBondContact O-N 3.1Å; L141-L158 HydrophobicContact CD1-CD2 4.03Å; L141-L158 HydrophobicContact CD2-CD1 4.04Å; L141-L158 HydrophobicContact CD2-CD2 4.34Å; L141-L158 HydrophobicContact CG-CD1 4.27Å; L141-L158 HydrophobicContact CG-CD2 3.81Å; L141-L158 HydrophobicContact CG-CG 4.22Å
159	A	92.8	Very high	95.8	Very high	88 Å²	88	48.6 Å²	48.6	73%	0.727	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-33.2	178.7	0	0	0	0	0	113.3	N157	N157-A159 VanDerWaalsContact C-N 3.29Å; N157-A159 PolarHBondContact O-N 3.36Å; N157-A159 WeakPolarHBondContact OD1-CB 3.4Å; N157-A159 PolarHBondContact OD1-N 3.29Å
160	D	93.7	Very high	95.8	Very high	89 Å²	89	48.6 Å²	48.6	48%	0.476	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	0.8	179.9	57.2	26.1	0	0	0	113.4	N157 S162	N157-D160 WeakPolarHBondContact CB-OD1 2.98Å; N157-D160 VanDerWaalsContact ND2-CG 3.33Å; N157-D160 PolarHBondContact ND2-OD1 3.35Å; N157-D160 PolarHBondContact ND2-OD2 3.01Å; D160-S162 PolarHBondContact O-N 3.18Å; D160-S162 VanDerWaalsContact OD1-CB 3.32Å; D160-S162 WeakPolarHBondContact OD1-CB 3.28Å; D160-S162 PolarHBondContact OD1-N 3.34Å; D160-S162 PolarHBondContact OD1-OG 2.95Å; D160-S162 PolarHBondContact OD2-OG 3.39Å
161	F	96.7	Very high	95.8	Very high	8 Å²	8	50.6 Å²	50.6	4%	0.035	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.6	-177.7	-149	-103.3	0	0	0	113.7	Y81 I88 E90 Q101 V103 L156 N157	Y81-F161 AromaticContact CD1-CE2 3.98Å; Y81-F161 HydrophobicContact CD1-CE2 3.98Å; Y81-F161 HydrophobicContact CD1-CZ 4.42Å; Y81-F161 AromaticContact CE1-CE2 3.95Å; Y81-F161 HydrophobicContact CE1-CE2 3.95Å; I88-F161 HydrophobicContact CG2-CZ 4.15Å; E90-F161 HydrophobicContact CB-CD2 4.35Å; E90-F161 HydrophobicContact CB-CE2 3.7Å; E90-F161 HydrophobicContact CB-CZ 3.81Å; Q101-F161 HydrophobicContact CB-CB 3.8Å; Q101-F161 HydrophobicContact CB-CD1 3.56Å; Q101-F161 HydrophobicContact CB-CD2 3.97Å; Q101-F161 HydrophobicContact CB-CE1 4.07Å; Q101-F161 HydrophobicContact CB-CE2 4.45Å; Q101-F161 HydrophobicContact CB-CG 3.5Å; Q101-F161 VanDerWaalsContact CB-CG 3.5Å; Q101-F161 HydrophobicContact CB-CZ 4.49Å; Q101-F161 HydrophobicContact CG-CB 4.26Å; Q101-F161 HydrophobicContact CG-CG 4.33Å; V103-F161 HydrophobicContact CB-CD1 4.15Å; V103-F161 HydrophobicContact CB-CE1 4.33Å; V103-F161 HydrophobicContact CG1-CD1 4.22Å; V103-F161 HydrophobicContact CG1-CE1 3.98Å; L156-F161 HydrophobicContact CD2-CD2 4.1Å; L156-F161 HydrophobicContact CD2-CE1 4.4Å; L156-F161 HydrophobicContact CD2-CE2 3.69Å; L156-F161 HydrophobicContact CD2-CZ 3.87Å; N157-F161 WeakPolarHBondContact O-CA 3.39Å; N157-F161 PolarHBondContact O-N 2.78Å
162	S	97	Very high	95.6	Very high	49 Å²	49	50.7 Å²	50.7	34%	0.343	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	154.6	179.9	76.1	0	0	0	0	112.7	N157 D160	N157-S162 PolarHBondContact N-O 2.94Å; D160-S162 PolarHBondContact O-N 3.18Å; D160-S162 VanDerWaalsContact OD1-CB 3.32Å; D160-S162 WeakPolarHBondContact OD1-CB 3.28Å; D160-S162 PolarHBondContact OD1-N 3.34Å; D160-S162 PolarHBondContact OD1-OG 2.95Å; D160-S162 PolarHBondContact OD2-OG 3.39Å
163	L	96.9	Very high	95.6	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	139.5	173.2	-60.3	-178.2	0	0	0	110.1	V103 W105 I143 L156 G165	V103-L163 HydrophobicContact CG2-CG 4.03Å; W105-L163 HydrophobicContact CB-CD1 4.05Å; W105-L163 HydrophobicContact CD2-CD1 4.04Å; W105-L163 HydrophobicContact CG-CD1 3.69Å; I143-L163 HydrophobicContact CD1-CD2 3.32Å; I143-L163 HydrophobicContact CG1-CD2 4.49Å; L156-L163 HydrophobicContact CD1-CD2 3.79Å; L163-G165 PolarHBondContact O-N 2.78Å
164	E	95.5	Very high	95.5	Very high	78 Å²	78	49.5 Å²	49.5	36%	0.364	27%	0.267	S	S	.	.			trans	-62.6	-19.5	172	-72.9	-166.6	-154.8	0	0	112.4	R140 Y155 R166	R140-E164 WeakPolarHBondContact CD-OE1 3.35Å; R140-E164 IonicContact NH1-OE1 2.72Å; Y155-E164 WeakPolarHBondContact CB-OE1 3.41Å; Y155-E164 PolarHBondContact O-N 3.4Å; E164-R166 VanDerWaalsContact C-N 3.33Å
165	G	92.5	Very high	95.4	Very high	54 Å²	54	49.4 Å²	49.4	56%	0.557	27%	0.266	S	S	*	.	S	Bend	trans	74	26.5	173.1	0	0	0	0	0	112.6	D154 L163 P167	D154-G165 WeakPolarHBondContact OD2-CA 3.37Å; D154-G165 PolarHBondContact OD2-N 2.87Å; L163-G165 PolarHBondContact O-N 2.78Å; G165-P167 WeakPolarHBondContact O-CD 3.44Å
166	R	92.1	Very high	95.4	Very high	192 Å²	192	48.7 Å²	48.7	73%	0.725	26%	0.264	S	S	*	.			trans	-123	63.9	-177.8	-65.4	-179.6	179.9	-173.5	1.9	109.8	D154 E164 E168	D154-R166 PolarHBondContact OD1-N 2.95Å; D154-R166 PolarHBondContact OD2-N 3.45Å; E164-R166 VanDerWaalsContact C-N 3.33Å; R166-E168 PolarHBondContact O-N 3.01Å
167	P	92.6	Very high	95.3	Very high	75 Å²	75	49.5 Å²	49.5	49%	0.487	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-62.5	129.3	-170.6	25.5	-35	0	0	0	112	C153 G165	C153-P167 CarbonylContact O-C 3.52Å; C153-P167 VanDerWaalsContact O-CA 3.23Å; C153-P167 WeakPolarHBondContact O-CA 3.5Å; G165-P167 WeakPolarHBondContact O-CD 3.44Å
168	E	95.7	Very high	95.2	Very high	52 Å²	52	48.5 Å²	48.5	24%	0.243	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	157.1	172.5	-58	-172.2	177.6	0	0	111.3	Y142 Q152 C153 R166 G170 K173 Y209	Y142-E168 PolarHBondContact OH-OE2 3.33Å; Y142-E168 VanDerWaalsContact OH-OE2 3.12Å; Q152-E168 WeakPolarHBondContact CA-O 3.47Å; C153-E168 HydrophobicContact CB-CB 4.43Å; C153-E168 PolarHBondContact N-O 2.71Å; C153-E168 PolarHBondContact O-N 3.16Å; R166-E168 PolarHBondContact O-N 3.01Å; E168-G170 PolarHBondContact O-N 3.08Å; E168-K173 IonicContact OE2-NZ 3.42Å; E168-K173 PolarHBondContact OE2-NZ 3.21Å; E168-Y209 PolarHBondContact OE1-OH 3.14Å; E168-Y209 PolarHBondContact OE2-OH 3.41Å
169	D	96	Very high	95.1	Very high	88 Å²	88	53.2 Å²	53.2	47%	0.471	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	124.3	165.5	-168.8	-6.7	0	0	0	109.1	R171 K173	D169-R171 WeakPolarHBondContact OD1-CB 3.19Å; D169-R171 PolarHBondContact OD1-N 2.85Å; D169-R171 IonicContact OD2-CZ 2.63Å; D169-R171 IonicContact OD2-NE 2.69Å; D169-R171 PolarHBondContact OD2-NE 3.05Å; D169-R171 IonicContact OD2-NH2 3.27Å; D169-R171 PolarHBondContact OD2-NH2 2.81Å; D169-K173 WeakPolarHBondContact O-CE 3.41Å; D169-K173 PolarHBondContact O-NZ 2.92Å
170	G	96.6	Very high	95.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.			trans	-91.1	-0.8	177.7	0	0	0	0	0	113.9	P151 E168 G172 K173 C174	P151-G170 VanDerWaalsContact O-CA 3.3Å; P151-G170 WeakPolarHBondContact O-CA 3.4Å; P151-G170 PolarHBondContact O-N 2.83Å; E168-G170 PolarHBondContact O-N 3.08Å; G170-G172 PolarHBondContact O-N 2.9Å; G170-K173 CarbonylContact O-C 3.59Å; G170-K173 WeakPolarHBondContact O-CA 3.43Å; G170-K173 WeakPolarHBondContact O-CB 3.39Å; G170-K173 PolarHBondContact O-N 3.13Å; G170-C174 PolarHBondContact O-N 3.09Å
171	R	96.4	Very high	95.2	Very high	118 Å²	118	47.9 Å²	47.9	45%	0.445	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-54.5	125.1	-179.9	-168.2	-172.5	-41.7	-163.1	8.2	112.1	D169 K173 F176 Y197	D169-R171 WeakPolarHBondContact OD1-CB 3.19Å; D169-R171 PolarHBondContact OD1-N 2.85Å; D169-R171 IonicContact OD2-CZ 2.63Å; D169-R171 IonicContact OD2-NE 2.69Å; D169-R171 PolarHBondContact OD2-NE 3.05Å; D169-R171 IonicContact OD2-NH2 3.27Å; D169-R171 PolarHBondContact OD2-NH2 2.81Å; R171-K173 PolarHBondContact O-N 2.89Å; R171-K173 VanDerWaalsContact O-N 3.15Å; R171-F176 HydrophobicContact CB-CZ 4.49Å; R171-F176 HydrophobicContact CG-CE2 4.04Å; R171-F176 HydrophobicContact CG-CZ 3.99Å; R171-Y197 WeakPolarHBondContact CD-O 3.48Å; R171-Y197 HydrophobicContact CG-CD2 3.79Å; R171-Y197 HydrophobicContact CG-CE2 3.73Å; R171-Y197 HydrophobicContact CG-CG 4.24Å; R171-Y197 WeakPolarHBondContact CG-O 3.32Å
172	G	94.4	Very high	95.1	Very high	3 Å²	3	50 Å²	50	3%	0.031	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	-13.5	-175.4	0	0	0	0	0	114.8	G170 S193 T195	G170-G172 PolarHBondContact O-N 2.9Å; G172-S193 WeakPolarHBondContact O-CB 3.47Å; G172-S193 PolarHBondContact O-OG 3.37Å; G172-T195 WeakPolarHBondContact O-CG2 3.37Å
173	K	96.3	Very high	95.2	Very high	17 Å²	17	48.3 Å²	48.3	7%	0.074	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-33.3	169.7	-53	176.5	-175.8	161.2	0	111.6	V132 Y142 C153 E168 D169 G170 R171 L191 Y209	V132-K173 WeakPolarHBondContact CG2-O 3.01Å; Y142-K173 HydrophobicContact CE1-CD 4.37Å; Y142-K173 VanDerWaalsContact OH-CD 3.25Å; Y142-K173 WeakPolarHBondContact OH-CD 3.47Å; Y142-K173 WeakPolarHBondContact OH-CE 3.42Å; Y142-K173 PolarHBondContact OH-NZ 2.96Å; C153-K173 VanDerWaalsContact SG-CD 3.6Å; E168-K173 IonicContact OE2-NZ 3.42Å; E168-K173 PolarHBondContact OE2-NZ 3.21Å; D169-K173 WeakPolarHBondContact O-CE 3.41Å; D169-K173 PolarHBondContact O-NZ 2.92Å; G170-K173 CarbonylContact O-C 3.59Å; G170-K173 WeakPolarHBondContact O-CA 3.43Å; G170-K173 WeakPolarHBondContact O-CB 3.39Å; G170-K173 PolarHBondContact O-N 3.13Å; R171-K173 PolarHBondContact O-N 2.89Å; R171-K173 VanDerWaalsContact O-N 3.15Å; K173-L191 HydrophobicContact CB-CD2 3.91Å; K173-L191 HydrophobicContact CD-CD2 4.5Å; K173-L191 HydrophobicContact CG-CD2 4.22Å; K173-Y209 HydrophobicContact CD-CG 4.36Å; K173-Y209 VanDerWaalsContact CE-CG 3.45Å
174	C	96.3	Very high	95.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-140.7	152.7	-175.7	176.4	0	0	0	0	110.6	V132 C144 G145 P151 G170	V132-C174 HydrophobicContact CG2-CB 4.43Å; C144-C174 HydrophobicContact CB-CB 3.64Å; G145-C174 VanDerWaalsContact C-SG 3.57Å; P151-C174 HydrophobicContact CB-CB 4.13Å; G170-C174 PolarHBondContact O-N 3.09Å
175	S	96.4	Very high	95.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.			trans	-70.9	155.9	176.5	67.7	0	0	0	0	112.5	P151 D177 T195	P151-S175 WeakPolarHBondContact CG-O 3.45Å; S175-D177 PolarHBondContact OG-O 3.23Å; S175-D177 VanDerWaalsContact OG-O 3.07Å; S175-T195 WeakPolarHBondContact CA-OG1 3.42Å; S175-T195 WeakPolarHBondContact CB-OG1 3.42Å
176	F	96.6	Very high	95.5	Very high	20 Å²	20	42.8 Å²	42.8	9%	0.088	22%	0.218	C	C	.	.	S	Bend	trans	-83.1	-47.3	173.8	-77.5	-105.4	0	0	0	111.6	F149 P151 R171 Y197 N198 F199	F149-F176 HydrophobicContact CD1-CB 4.11Å; F149-F176 WeakPolarHBondContact CD1-O 3.36Å; F149-F176 WeakPolarHBondContact O-CD1 3.21Å; P151-F176 VanDerWaalsContact CD-CD1 3.42Å; P151-F176 HydrophobicContact CG-CB 4.35Å; P151-F176 HydrophobicContact CG-CD1 3.93Å; P151-F176 HydrophobicContact CG-CD2 3.74Å; P151-F176 HydrophobicContact CG-CE1 4.1Å; P151-F176 HydrophobicContact CG-CE2 3.91Å; P151-F176 HydrophobicContact CG-CG 3.73Å; P151-F176 HydrophobicContact CG-CZ 4.09Å; R171-F176 HydrophobicContact CB-CZ 4.49Å; R171-F176 HydrophobicContact CG-CE2 4.04Å; R171-F176 HydrophobicContact CG-CZ 3.99Å; F176-Y197 WeakPolarHBondContact CE2-O 3.43Å; F176-N198 WeakPolarHBondContact CD2-O 3.36Å; F176-F199 HydrophobicContact CD1-CB 4.17Å; F176-F199 HydrophobicContact CD1-CD2 4.42Å
177	D	95.6	Very high	95.7	Very high	18 Å²	18	33.7 Å²	33.7	10%	0.096	18%	0.184	C	C	.	.	S	Bend	trans	-92.6	138.1	-179.5	-161.4	-64.3	0	0	0	110.1	K120 F149 S175 S179 Q180	K120-D177 IonicContact NZ-OD2 2.65Å; K120-D177 PolarHBondContact NZ-OD2 2.8Å; F149-D177 HydrophobicContact CD1-CB 4.41Å; F149-D177 VanDerWaalsContact CE1-CA 3.49Å; F149-D177 HydrophobicContact CE1-CB 3.49Å; F149-D177 VanDerWaalsContact CE1-CB 3.49Å; F149-D177 WeakPolarHBondContact CE1-OD2 3.34Å; F149-D177 HydrophobicContact CZ-CB 3.92Å; F149-D177 WeakPolarHBondContact CZ-OD2 3.3Å; S175-D177 PolarHBondContact OG-O 3.23Å; S175-D177 VanDerWaalsContact OG-O 3.07Å; D177-S179 PolarHBondContact O-N 3.01Å; D177-S179 WeakPolarHBondContact OD1-CB 3.42Å; D177-S179 PolarHBondContact OD1-N 2.87Å; D177-S179 PolarHBondContact OD1-OG 3.02Å; D177-Q180 HydrophobicContact CB-CB 4.16Å; D177-Q180 VanDerWaalsContact CB-CD 3.45Å; D177-Q180 HydrophobicContact CB-CG 3.71Å; D177-Q180 WeakPolarHBondContact O-CB 3.48Å; D177-Q180 PolarHBondContact O-N 2.95Å; D177-Q180 VanDerWaalsContact O-N 3.16Å
178	P	94.9	Very high	95.7	Very high	22 Å²	22	34.9 Å²	34.9	14%	0.143	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.3	174.5	28	-35.6	0	0	0	114.3	Y129 R131	Y129-P178 HydrophobicContact CD1-CB 3.89Å; Y129-P178 HydrophobicContact CD2-CB 3.57Å; Y129-P178 HydrophobicContact CD2-CG 4.02Å; Y129-P178 HydrophobicContact CE1-CB 4.12Å; Y129-P178 HydrophobicContact CE2-CB 3.87Å; Y129-P178 HydrophobicContact CE2-CG 3.98Å; Y129-P178 HydrophobicContact CG-CB 3.6Å; R131-P178 PolarHBondContact NH1-O 2.99Å; R131-P178 VanDerWaalsContact NH2-CA 3.26Å; R131-P178 VanDerWaalsContact NH2-CB 3.32Å; R131-P178 PolarHBondContact NH2-O 3.08Å
179	S	93.1	Very high	95.6	Very high	105 Å²	105	33.8 Å²	33.8	73%	0.734	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-12.9	171.7	67.7	0	0	0	0	114.1	D177	D177-S179 PolarHBondContact O-N 3.01Å; D177-S179 WeakPolarHBondContact OD1-CB 3.42Å; D177-S179 PolarHBondContact OD1-N 2.87Å; D177-S179 PolarHBondContact OD1-OG 3.02Å
180	Q	93.6	Very high	95.6	Very high	32 Å²	32	30.7 Å²	30.7	15%	0.15	17%	0.172	C	C	.	.	S	Bend	trans	-69.4	139.9	177.4	-84.2	161.8	0.5	0	0	111.2	D177 G201	D177-Q180 HydrophobicContact CB-CB 4.16Å; D177-Q180 VanDerWaalsContact CB-CD 3.45Å; D177-Q180 HydrophobicContact CB-CG 3.71Å; D177-Q180 WeakPolarHBondContact O-CB 3.48Å; D177-Q180 PolarHBondContact O-N 2.95Å; D177-Q180 VanDerWaalsContact O-N 3.16Å; Q180-G201 VanDerWaalsContact NE2-CA 3.27Å
181	S	93.7	Very high	95.6	Very high	34 Å²	34	30.8 Å²	30.8	24%	0.238	17%	0.173	C	C	.	.			trans	-62.5	147	169.4	71.2	0	0	0	0	111.8	T195 S229 F230	S181-T195 PolarHBondContact O-OG1 3.23Å; S181-S229 WeakPolarHBondContact CB-OG 3.5Å; S181-S229 VanDerWaalsContact OG-CA 3.32Å; S181-S229 WeakPolarHBondContact OG-CA 3.35Å; S181-F230 VanDerWaalsContact CB-N 3.35Å; S181-F230 WeakPolarHBondContact CB-O 3.33Å; S181-F230 PolarHBondContact OG-N 2.63Å
182	F	95.3	Very high	95.7	Very high	52 Å²	52	25.1 Å²	25.1	23%	0.228	15%	0.151	C	C	.	.			trans	-156.1	157.3	175	79.5	-76.4	0	0	0	109.4	R131 G194	R131-F182 HydrophobicContact CB-CD1 4.48Å; R131-F182 HydrophobicContact CB-CD2 4.08Å; R131-F182 HydrophobicContact CB-CE1 4.22Å; R131-F182 HydrophobicContact CB-CE2 3.79Å; R131-F182 HydrophobicContact CB-CG 4.42Å; R131-F182 HydrophobicContact CB-CZ 3.86Å; R131-F182 HydrophobicContact CG-CD1 4.48Å; R131-F182 HydrophobicContact CG-CE1 4.32Å; R131-F182 HydrophobicContact CG-CZ 4.43Å; R131-F182 WeakPolarHBondContact O-CE2 3.35Å; R131-F182 WeakPolarHBondContact O-CZ 3.41Å; F182-G194 CarbonylContact C-O 3.25Å; F182-G194 WeakPolarHBondContact CA-O 3.31Å
183	T	97.9	Very high	95.9	Very high	13 Å²	13	25 Å²	25	8%	0.08	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.7	164.3	-163.7	0	0	0	0	109.5	S193 G194 F230 F232 A233 Y252	T183-S193 WeakPolarHBondContact O-CA 3.48Å; T183-G194 PolarHBondContact N-O 3.2Å; T183-G194 PolarHBondContact O-N 2.78Å; T183-F230 HydrophobicContact CG2-CB 4.12Å; T183-F232 VanDerWaalsContact OG1-CA 3.28Å; T183-F232 WeakPolarHBondContact OG1-CA 3.48Å; T183-A233 HydrophobicContact CG2-CB 3.68Å; T183-A233 PolarHBondContact OG1-N 2.7Å; T183-A233 VanDerWaalsContact OG1-N 3.09Å; T183-Y252 HydrophobicContact CG2-CD1 4.2Å
184	A	97.7	Very high	96	Very high	14 Å²	14	24.2 Å²	24.2	12%	0.116	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	143.9	177.9	0	0	0	0	0	112.1	V132 Q134 L191 Y192	V132-A184 HydrophobicContact CG1-CB 4.39Å; V132-A184 HydrophobicContact CG2-CB 4.06Å; Q134-A184 PolarHBondContact NE2-O 3.3Å; A184-L191 HydrophobicContact CB-CD1 4.24Å; A184-Y192 CarbonylContact C-O 3.55Å; A184-Y192 WeakPolarHBondContact CA-O 3.09Å
185	V	97.8	Very high	96.1	Very high	15 Å²	15	24.3 Å²	24.3	9%	0.091	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.9	175.7	61.5	0	0	0	0	110.4	V187 Y192 A233 I250	V185-V187 HydrophobicContact CG1-CG2 4.24Å; V185-V187 HydrophobicContact CG2-CG2 4.1Å; V185-Y192 PolarHBondContact N-O 3.49Å; V185-Y192 PolarHBondContact O-N 2.85Å; V185-A233 HydrophobicContact CG1-CB 4.3Å; V185-I250 HydrophobicContact CG1-CG2 4.13Å
186	M	97.1	Very high	96.1	Very high	28 Å²	28	24.7 Å²	24.7	14%	0.138	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	130.4	172.5	-173.1	69.8	68.9	0	0	110.2	Q134 I135 V136 Y142 G189 L191	Q134-M186 HydrophobicContact CB-CB 3.8Å; Q134-M186 HydrophobicContact CB-CE 4.33Å; Q134-M186 HydrophobicContact CG-CB 4.18Å; I135-M186 WeakPolarHBondContact O-CG 3.22Å; V136-M186 HydrophobicContact CG2-CE 4.03Å; Y142-M186 HydrophobicContact CD1-CE 4.14Å; Y142-M186 HydrophobicContact CG-CE 3.96Å; M186-G189 VanDerWaalsContact SD-C 3.52Å; M186-L191 HydrophobicContact CE-CB 4.12Å; M186-L191 HydrophobicContact CE-CD1 3.97Å; M186-L191 HydrophobicContact SD-CB 4.31Å
187	V	95.9	Very high	96	Very high	2 Å²	2	26 Å²	26	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	108.6	-179.1	-174.4	0	0	0	0	109.3	V185 G189 D190 Y192 V235 I250 K277	V185-V187 HydrophobicContact CG1-CG2 4.24Å; V185-V187 HydrophobicContact CG2-CG2 4.1Å; V187-G189 PolarHBondContact O-N 2.9Å; V187-D190 PolarHBondContact N-O 2.94Å; V187-D190 PolarHBondContact O-N 3.45Å; V187-D190 VanDerWaalsContact O-N 3.1Å; V187-Y192 HydrophobicContact CB-CD2 4.06Å; V187-Y192 HydrophobicContact CB-CE2 3.92Å; V187-Y192 HydrophobicContact CG2-CD2 4.05Å; V187-Y192 HydrophobicContact CG2-CE2 4.34Å; V187-V235 HydrophobicContact CG1-CB 4.28Å; V187-V235 HydrophobicContact CG1-CG1 4.34Å; V187-V235 HydrophobicContact CG1-CG2 4.15Å; V187-V235 HydrophobicContact CG2-CB 3.91Å; V187-V235 HydrophobicContact CG2-CG1 4.01Å; V187-I250 HydrophobicContact CB-CD1 4.43Å; V187-I250 HydrophobicContact CG1-CD1 4.29Å; V187-I250 HydrophobicContact CG2-CD1 3.85Å; V187-K277 HydrophobicContact CG1-CD 4.24Å
188	D	92.8	Very high	95.9	Very high	100 Å²	100	26.2 Å²	26.2	54%	0.535	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.6	177.8	-54.4	-19.6	0	0	0	114	R237 K277	D188-R237 IonicContact OD1-CZ 3.88Å; D188-R237 IonicContact OD1-NH1 2.66Å; D188-R237 PolarHBondContact OD1-NH1 2.94Å; D188-R237 IonicContact OD1-NH2 3.75Å; D188-R237 PolarHBondContact OD1-NH2 2.82Å; D188-R237 IonicContact OD2-CZ 2.89Å; D188-R237 IonicContact OD2-NH1 2.69Å; D188-R237 PolarHBondContact OD2-NH1 2.75Å; D188-R237 IonicContact OD2-NH2 2.75Å; D188-K277 WeakPolarHBondContact OD2-CE 3.4Å; D188-K277 IonicContact OD2-NZ 4Å; D188-K277 PolarHBondContact OD2-NZ 2.83Å
189	G	92.9	Very high	95.8	Very high	29 Å²	29	27.8 Å²	27.8	30%	0.299	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-8	179.1	0	0	0	0	0	115.4	M186 V187	M186-G189 VanDerWaalsContact SD-C 3.52Å; V187-G189 PolarHBondContact O-N 2.9Å
190	D	96.1	Very high	95.8	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.123	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.5	175.2	-74	-6.2	0	0	0	111	V187 Y192 R208 S210	V187-D190 PolarHBondContact N-O 2.94Å; V187-D190 PolarHBondContact O-N 3.45Å; V187-D190 VanDerWaalsContact O-N 3.1Å; D190-Y192 HydrophobicContact CB-CD2 4.49Å; D190-Y192 HydrophobicContact CB-CE2 3.94Å; D190-R208 HydrophobicContact CB-CG 3.95Å; D190-R208 WeakPolarHBondContact OD2-CD 3.39Å; D190-R208 IonicContact OD2-NE 2.91Å; D190-S210 VanDerWaalsContact CG-CB 3.48Å; D190-S210 WeakPolarHBondContact OD1-CA 3.21Å; D190-S210 WeakPolarHBondContact OD1-CB 3.39Å; D190-S210 PolarHBondContact OD1-OG 2.95Å; D190-S210 PolarHBondContact OD2-OG 2.75Å
191	L	97.9	Very high	95.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.6	177.3	-175.3	78.2	0	0	0	110.4	V132 Q134 Y142 K173 A184 M186 R208 Y209	V132-L191 HydrophobicContact CG1-CD1 4.04Å; Q134-L191 HydrophobicContact CG-CD1 4.26Å; Y142-L191 HydrophobicContact CD1-CD1 4.5Å; Y142-L191 HydrophobicContact CD1-CD2 4.13Å; Y142-L191 HydrophobicContact CE1-CD2 3.77Å; K173-L191 HydrophobicContact CB-CD2 3.91Å; K173-L191 HydrophobicContact CD-CD2 4.5Å; K173-L191 HydrophobicContact CG-CD2 4.22Å; A184-L191 HydrophobicContact CB-CD1 4.24Å; M186-L191 HydrophobicContact CE-CB 4.12Å; M186-L191 HydrophobicContact CE-CD1 3.97Å; M186-L191 HydrophobicContact SD-CB 4.31Å; L191-R208 CarbonylContact O-C 3.49Å; L191-R208 WeakPolarHBondContact O-CA 3.15Å; L191-Y209 PolarHBondContact N-O 2.85Å; L191-Y209 PolarHBondContact O-N 3.02Å
192	Y	98.6	Very high	95.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.5	172.7	-71.6	-97.9	0	0	0	109.2	A184 V185 V187 D190 S207 R208 I250 Y252 V275 K277 W290	A184-Y192 CarbonylContact C-O 3.55Å; A184-Y192 WeakPolarHBondContact CA-O 3.09Å; V185-Y192 PolarHBondContact N-O 3.49Å; V185-Y192 PolarHBondContact O-N 2.85Å; V187-Y192 HydrophobicContact CB-CD2 4.06Å; V187-Y192 HydrophobicContact CB-CE2 3.92Å; V187-Y192 HydrophobicContact CG2-CD2 4.05Å; V187-Y192 HydrophobicContact CG2-CE2 4.34Å; D190-Y192 HydrophobicContact CB-CD2 4.49Å; D190-Y192 HydrophobicContact CB-CE2 3.94Å; Y192-S207 WeakPolarHBondContact CA-O 3.45Å; Y192-R208 HydrophobicContact CD1-CB 3.93Å; Y192-R208 HydrophobicContact CD1-CG 4.19Å; Y192-R208 HydrophobicContact CD2-CG 4.28Å; Y192-R208 HydrophobicContact CE1-CB 3.86Å; Y192-R208 HydrophobicContact CE1-CG 3.9Å; Y192-R208 HydrophobicContact CE2-CG 3.95Å; Y192-R208 HydrophobicContact CG-CB 4.45Å; Y192-R208 HydrophobicContact CG-CG 4.4Å; Y192-R208 VanDerWaalsContact OH-CD 3.24Å; Y192-R208 WeakPolarHBondContact OH-CD 3.33Å; Y192-I250 HydrophobicContact CD1-CB 4.19Å; Y192-I250 HydrophobicContact CD1-CG1 3.64Å; Y192-I250 HydrophobicContact CD1-CG2 4.14Å; Y192-I250 HydrophobicContact CD2-CG1 4.31Å; Y192-I250 HydrophobicContact CE1-CB 4.41Å; Y192-I250 HydrophobicContact CE1-CD1 4.49Å; Y192-I250 HydrophobicContact CE1-CG1 3.51Å; Y192-I250 HydrophobicContact CE2-CD1 4.43Å; Y192-I250 HydrophobicContact CE2-CG1 4.25Å; Y192-I250 HydrophobicContact CG-CG1 4.02Å; Y192-I250 HydrophobicContact CG-CG2 4.2Å; Y192-Y252 WeakPolarHBondContact CB-OH 3.37Å; Y192-V275 HydrophobicContact CD1-CG2 4.5Å; Y192-V275 HydrophobicContact CE1-CG2 4.33Å; Y192-K277 WeakPolarHBondContact OH-CA 3.29Å; Y192-K277 WeakPolarHBondContact OH-CG 3.44Å; Y192-K277 PolarHBondContact OH-O 3.05Å; Y192-K277 VanDerWaalsContact OH-O 3.07Å; Y192-W290 HydrophobicContact CD1-CH2 4.12Å; Y192-W290 AromaticContact CE1-CH2 3.68Å; Y192-W290 HydrophobicContact CE1-CH2 3.68Å; Y192-W290 HydrophobicContact CE1-CZ2 4.5Å; Y192-W290 HydrophobicContact CE1-CZ3 4.43Å
193	S	98.4	Very high	95.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.2	-172.3	60.3	0	0	0	0	112.6	G172 T183 I206 S207	G172-S193 WeakPolarHBondContact O-CB 3.47Å; G172-S193 PolarHBondContact O-OG 3.37Å; T183-S193 WeakPolarHBondContact O-CA 3.48Å; S193-I206 CarbonylContact O-C 3.59Å; S193-I206 VanDerWaalsContact O-CA 3.29Å; S193-I206 WeakPolarHBondContact O-CA 3.32Å; S193-S207 PolarHBondContact N-O 2.98Å; S193-S207 PolarHBondContact O-N 3.22Å; S193-S207 PolarHBondContact OG-O 3.4Å; S193-S207 PolarHBondContact OG-OG 2.91Å
194	G	98.4	Very high	95.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	113.8	166.1	0	0	0	0	0	109.7	F182 T183 I205 F230	F182-G194 CarbonylContact C-O 3.25Å; F182-G194 WeakPolarHBondContact CA-O 3.31Å; T183-G194 PolarHBondContact N-O 3.2Å; T183-G194 PolarHBondContact O-N 2.78Å; G194-I205 WeakPolarHBondContact CA-O 3.23Å; G194-F230 VanDerWaalsContact C-CD2 3.48Å; G194-F230 WeakPolarHBondContact O-CD2 3.41Å; G194-F230 WeakPolarHBondContact O-CG 3.45Å
195	T	97.7	Very high	95.7	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	-168.1	-178.1	-164.9	0	0	0	0	111.8	G172 S175 S181 I205 F230	G172-T195 WeakPolarHBondContact O-CG2 3.37Å; S175-T195 WeakPolarHBondContact CA-OG1 3.42Å; S175-T195 WeakPolarHBondContact CB-OG1 3.42Å; S181-T195 PolarHBondContact O-OG1 3.23Å; T195-I205 HydrophobicContact CG2-CG2 4.49Å; T195-I205 PolarHBondContact N-O 3.14Å; T195-I205 WeakPolarHBondContact O-CG2 3.44Å; T195-I205 PolarHBondContact O-N 2.76Å; T195-F230 VanDerWaalsContact N-CE2 3.32Å; T195-F230 WeakPolarHBondContact O-CE2 3.29Å
196	A	96.1	Very high	95.7	Very high	8 Å²	8	30.7 Å²	30.7	7%	0.066	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.4	169.8	0	0	0	0	0	112	E203	A196-E203 CarbonylContact C-O 3.46Å; A196-E203 WeakPolarHBondContact CA-O 3.49Å
197	Y	95.5	Very high	95.8	Very high	48 Å²	48	29.4 Å²	29.4	19%	0.188	17%	0.171	C	C	.	.	S	Bend	trans	-82.9	-16.9	178.5	-167.9	-110.1	0	0	0	113.5	R171 F176 E203 I205	R171-Y197 WeakPolarHBondContact CD-O 3.48Å; R171-Y197 HydrophobicContact CG-CD2 3.79Å; R171-Y197 HydrophobicContact CG-CE2 3.73Å; R171-Y197 HydrophobicContact CG-CG 4.24Å; R171-Y197 WeakPolarHBondContact CG-O 3.32Å; F176-Y197 WeakPolarHBondContact CE2-O 3.43Å; Y197-E203 WeakPolarHBondContact CB-O 3.01Å; Y197-E203 PolarHBondContact N-O 2.84Å; Y197-I205 HydrophobicContact CD2-CD1 3.76Å; Y197-I205 HydrophobicContact CD2-CG2 4.31Å; Y197-I205 HydrophobicContact CE2-CD1 4.24Å; Y197-I205 HydrophobicContact CG-CD1 4.4Å
198	N	93.6	Very high	95.9	Very high	23 Å²	23	29.7 Å²	29.7	12%	0.123	17%	0.172	C	C	.	.	S	Bend	trans	-128.2	165.3	-175.1	81.3	1.1	0	0	0	113.8	F176 L200 G201 S202 E203	F176-N198 WeakPolarHBondContact CD2-O 3.36Å; N198-L200 VanDerWaalsContact C-N 3.25Å; N198-L200 PolarHBondContact O-N 3.34Å; N198-L200 PolarHBondContact OD1-N 2.81Å; N198-G201 PolarHBondContact O-N 3.1Å; N198-G201 PolarHBondContact OD1-N 2.88Å; N198-S202 PolarHBondContact ND2-OG 2.87Å; N198-S202 PolarHBondContact OD1-N 3.06Å; N198-S202 VanDerWaalsContact OD1-N 3.07Å; N198-E203 HydrophobicContact CB-CB 4.25Å; N198-E203 HydrophobicContact CB-CG 4.43Å; N198-E203 WeakPolarHBondContact ND2-CG 3.43Å; N198-E203 PolarHBondContact ND2-OE1 2.94Å
199	F	92.6	Very high	96	Very high	54 Å²	54	27.5 Å²	27.5	24%	0.237	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.4	-178.6	178.4	-85.9	0	0	0	113.9	K118 K120 F149 F176	K118-F199 HydrophobicContact CB-CE2 4.48Å; K118-F199 HydrophobicContact CB-CZ 3.99Å; K118-F199 HydrophobicContact CD-CD2 4.38Å; K118-F199 HydrophobicContact CD-CE2 3.65Å; K118-F199 HydrophobicContact CD-CZ 3.91Å; K120-F199 HydrophobicContact CG-CZ 4.2Å; F149-F199 HydrophobicContact CB-CD2 3.63Å; F149-F199 HydrophobicContact CB-CE2 3.39Å; F149-F199 AromaticContact CD1-CD2 3.81Å; F149-F199 HydrophobicContact CD1-CD2 3.81Å; F149-F199 AromaticContact CD1-CE2 3.5Å; F149-F199 HydrophobicContact CD1-CE2 3.5Å; F149-F199 HydrophobicContact CD1-CZ 4.01Å; F149-F199 HydrophobicContact CE1-CE2 4.47Å; F149-F199 HydrophobicContact CG-CD2 4.1Å; F149-F199 AromaticContact CG-CE2 3.62Å; F149-F199 HydrophobicContact CG-CE2 3.62Å; F149-F199 HydrophobicContact CG-CZ 4.37Å; F176-F199 HydrophobicContact CD1-CB 4.17Å; F176-F199 HydrophobicContact CD1-CD2 4.42Å
200	L	92.6	Very high	96.1	Very high	138 Å²	138	26.5 Å²	26.5	72%	0.723	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-17	-175.3	-65.6	175.6	0	0	0	113.5	N198 S202	N198-L200 VanDerWaalsContact C-N 3.25Å; N198-L200 PolarHBondContact O-N 3.34Å; N198-L200 PolarHBondContact OD1-N 2.81Å; L200-S202 VanDerWaalsContact C-N 3.32Å
201	G	91.7	Very high	95.7	Very high	34 Å²	34	29.5 Å²	29.5	35%	0.351	17%	0.166	S	C	.	.	S	Bend	trans	81.9	5.9	-172.3	0	0	0	0	0	114.6	Q180 N198	Q180-G201 VanDerWaalsContact NE2-CA 3.27Å; N198-G201 PolarHBondContact O-N 3.1Å; N198-G201 PolarHBondContact OD1-N 2.88Å
202	S	92.4	Very high	95.2	Very high	64 Å²	64	34.2 Å²	34.2	45%	0.448	20%	0.199	S	C	.	.			trans	-83.8	-16.4	-174.1	68	0	0	0	0	114.1	N198 L200 P204	N198-S202 PolarHBondContact ND2-OG 2.87Å; N198-S202 PolarHBondContact OD1-N 3.06Å; N198-S202 VanDerWaalsContact OD1-N 3.07Å; L200-S202 VanDerWaalsContact C-N 3.32Å; S202-P204 WeakPolarHBondContact O-CD 3.48Å
203	E	95.4	Very high	94.8	Very high	63 Å²	63	40 Å²	40	29%	0.294	22%	0.222	S	C	.	.	S	Bend	trans	-107.7	90.5	-178.5	-74.2	164.4	-134.7	0	0	110.5	A196 Y197 N198 Y220	A196-E203 CarbonylContact C-O 3.46Å; A196-E203 WeakPolarHBondContact CA-O 3.49Å; Y197-E203 WeakPolarHBondContact CB-O 3.01Å; Y197-E203 PolarHBondContact N-O 2.84Å; N198-E203 HydrophobicContact CB-CB 4.25Å; N198-E203 HydrophobicContact CB-CG 4.43Å; N198-E203 WeakPolarHBondContact ND2-CG 3.43Å; N198-E203 PolarHBondContact ND2-OE1 2.94Å; E203-Y220 HydrophobicContact CB-CE2 4.19Å; E203-Y220 HydrophobicContact CG-CD2 4.47Å; E203-Y220 HydrophobicContact CG-CE2 3.74Å
204	P	97.5	Very high	94.4	Very high	21 Å²	21	44.3 Å²	44.3	14%	0.136	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	141.8	176.1	31.4	-35.8	0	0	0	111.5	S202 L225 P228 F230	S202-P204 WeakPolarHBondContact O-CD 3.48Å; P204-L225 HydrophobicContact CB-CB 4.13Å; P204-L225 HydrophobicContact CB-CD1 4.14Å; P204-L225 HydrophobicContact CG-CB 3.84Å; P204-P228 VanDerWaalsContact CB-CD 3.46Å; P204-P228 HydrophobicContact CB-CG 3.37Å; P204-P228 HydrophobicContact CG-CG 4.1Å; P204-F230 HydrophobicContact CB-CZ 4.46Å
205	I	98.3	Very high	94.2	Very high	6 Å²	6	47.5 Å²	47.5	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	134.8	179.2	-172.1	170	0	0	0	110.5	G194 T195 Y197 R217	G194-I205 WeakPolarHBondContact CA-O 3.23Å; T195-I205 HydrophobicContact CG2-CG2 4.49Å; T195-I205 PolarHBondContact N-O 3.14Å; T195-I205 WeakPolarHBondContact O-CG2 3.44Å; T195-I205 PolarHBondContact O-N 2.76Å; Y197-I205 HydrophobicContact CD2-CD1 3.76Å; Y197-I205 HydrophobicContact CD2-CG2 4.31Å; Y197-I205 HydrophobicContact CE2-CD1 4.24Å; Y197-I205 HydrophobicContact CG-CD1 4.4Å; I205-R217 HydrophobicContact CD1-CB 3.82Å; I205-R217 HydrophobicContact CG1-CB 4.08Å
206	I	98.8	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.4	155.1	-72.3	167.4	0	0	0	107.7	S193 R217 T218 L225 F230 Y252 F254 W290 F293	S193-I206 CarbonylContact O-C 3.59Å; S193-I206 VanDerWaalsContact O-CA 3.29Å; S193-I206 WeakPolarHBondContact O-CA 3.32Å; I206-R217 CarbonylContact O-C 3.37Å; I206-R217 WeakPolarHBondContact O-CA 3.34Å; I206-T218 HydrophobicContact CB-CG2 3.71Å; I206-T218 HydrophobicContact CG2-CG2 4.46Å; I206-T218 PolarHBondContact N-OG1 3.12Å; I206-T218 VanDerWaalsContact N-OG1 3.15Å; I206-T218 PolarHBondContact O-N 3.4Å; I206-L225 HydrophobicContact CD1-CD1 4.43Å; I206-L225 HydrophobicContact CD1-CD2 4.08Å; I206-L225 HydrophobicContact CG1-CD1 4.23Å; I206-F230 HydrophobicContact CD1-CE1 3.93Å; I206-F230 HydrophobicContact CG1-CE1 3.64Å; I206-F230 HydrophobicContact CG1-CZ 4.17Å; I206-Y252 HydrophobicContact CD1-CD1 4.12Å; I206-Y252 HydrophobicContact CD1-CD2 4.39Å; I206-Y252 HydrophobicContact CD1-CG 3.99Å; I206-Y252 HydrophobicContact CG1-CD1 4.17Å; I206-Y252 HydrophobicContact CG1-CE1 4.28Å; I206-Y252 HydrophobicContact CG2-CD1 4.23Å; I206-Y252 HydrophobicContact CG2-CD2 4.18Å; I206-Y252 HydrophobicContact CG2-CE1 3.69Å; I206-Y252 HydrophobicContact CG2-CE2 3.62Å; I206-Y252 HydrophobicContact CG2-CG 4.44Å; I206-Y252 WeakPolarHBondContact CG2-OH 3.16Å; I206-F254 HydrophobicContact CD1-CE1 4.18Å; I206-W290 PolarHBondContact O-NE1 3.25Å; I206-W290 VanDerWaalsContact O-NE1 3.09Å; I206-F293 HydrophobicContact CD1-CE2 3.9Å
207	S	98.1	Very high	94.3	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.5	-172.6	53.7	0	0	0	0	114.7	Y192 S193 L216	Y192-S207 WeakPolarHBondContact CA-O 3.45Å; S193-S207 PolarHBondContact N-O 2.98Å; S193-S207 PolarHBondContact O-N 3.22Å; S193-S207 PolarHBondContact OG-O 3.4Å; S193-S207 PolarHBondContact OG-OG 2.91Å; S207-L216 CarbonylContact C-O 3.52Å; S207-L216 WeakPolarHBondContact CA-O 3.2Å; S207-L216 WeakPolarHBondContact CB-O 3.48Å
208	R	98.1	Very high	94.4	Very high	7 Å²	7	48.8 Å²	48.8	3%	0.026	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.7	165.9	179.4	-170.3	73.9	-152	-9	109.2	D190 L191 Y192 L216 K277 D279 W290	D190-R208 HydrophobicContact CB-CG 3.95Å; D190-R208 WeakPolarHBondContact OD2-CD 3.39Å; D190-R208 IonicContact OD2-NE 2.91Å; L191-R208 CarbonylContact O-C 3.49Å; L191-R208 WeakPolarHBondContact O-CA 3.15Å; Y192-R208 HydrophobicContact CD1-CB 3.93Å; Y192-R208 HydrophobicContact CD1-CG 4.19Å; Y192-R208 HydrophobicContact CD2-CG 4.28Å; Y192-R208 HydrophobicContact CE1-CB 3.86Å; Y192-R208 HydrophobicContact CE1-CG 3.9Å; Y192-R208 HydrophobicContact CE2-CG 3.95Å; Y192-R208 HydrophobicContact CG-CB 4.45Å; Y192-R208 HydrophobicContact CG-CG 4.4Å; Y192-R208 VanDerWaalsContact OH-CD 3.24Å; Y192-R208 WeakPolarHBondContact OH-CD 3.33Å; R208-L216 PolarHBondContact N-O 3.47Å; R208-L216 PolarHBondContact O-N 3.14Å; R208-K277 PolarHBondContact NH1-O 2.91Å; R208-D279 PolarHBondContact NH1-O 3.37Å; R208-D279 PolarHBondContact NH2-O 3.07Å; R208-W290 HydrophobicContact CB-CH2 3.56Å; R208-W290 HydrophobicContact CB-CZ2 3.76Å
209	Y	96.4	Very high	94.6	Very high	54 Å²	54	49.3 Å²	49.3	21%	0.212	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.6	162.9	171.4	-95.8	0	0	0	109.1	E168 K173 L191	E168-Y209 PolarHBondContact OE1-OH 3.14Å; E168-Y209 PolarHBondContact OE2-OH 3.41Å; K173-Y209 HydrophobicContact CD-CG 4.36Å; K173-Y209 VanDerWaalsContact CE-CG 3.45Å; L191-Y209 PolarHBondContact N-O 2.85Å; L191-Y209 PolarHBondContact O-N 3.02Å
210	S	93.4	Very high	94.6	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.063	29%	0.291	C	S	.	.			trans	-136.1	139.4	176.2	179.5	0	0	0	0	109.1	D190 S212 Y213	D190-S210 VanDerWaalsContact CG-CB 3.48Å; D190-S210 WeakPolarHBondContact OD1-CA 3.21Å; D190-S210 WeakPolarHBondContact OD1-CB 3.39Å; D190-S210 PolarHBondContact OD1-OG 2.95Å; D190-S210 PolarHBondContact OD2-OG 2.75Å; S210-S212 PolarHBondContact O-N 2.87Å; S210-S212 PolarHBondContact OG-N 3.49Å; S210-S212 VanDerWaalsContact OG-N 3.08Å; S210-Y213 VanDerWaalsContact O-O 3.13Å; S210-Y213 PolarHBondContact OG-N 3.05Å
211	P	88.2	Confident	94.7	Very high	85 Å²	85	50.3 Å²	50.3	55%	0.552	27%	0.272	S	S	*	.	S	Bend	trans	-64.9	-22.9	167.2	-21.3	33.8	0	0	0	113.1
212	S	87.9	Confident	94.8	Very high	100 Å²	100	52.5 Å²	52.5	70%	0.699	28%	0.279	S	S	*	.	S	Bend	trans	-102.8	-21.3	-172.7	-59.1	0	0	0	0	114.1	S210	S210-S212 PolarHBondContact O-N 2.87Å; S210-S212 PolarHBondContact OG-N 3.49Å; S210-S212 VanDerWaalsContact OG-N 3.08Å
213	Y	89.1	Confident	94.9	Very high	123 Å²	123	49.6 Å²	49.6	48%	0.482	26%	0.259	S	S	.	.	S	Bend	trans	-128.2	148.3	-174.6	-62.8	-73.6	0	0	0	112.2	S210 L280	S210-Y213 VanDerWaalsContact O-O 3.13Å; S210-Y213 PolarHBondContact OG-N 3.05Å; Y213-L280 HydrophobicContact CD1-CD2 4.06Å; Y213-L280 HydrophobicContact CE1-CD2 4.04Å
214	P	90.7	Very high	95	Very high	89 Å²	89	46.7 Å²	46.7	58%	0.578	25%	0.245	S	C	*	.			trans	-55.3	149.3	172.2	-24.2	34.2	0	0	0	112.5	L216	P214-L216 PolarHBondContact O-N 2.69Å
215	L	94.6	Very high	95	Very high	68 Å²	68	46 Å²	46	36%	0.356	24%	0.24	S	C	.	.			trans	-49.5	122.2	172.7	178.8	70.2	0	0	0	110.4
216	L	97.7	Very high	95	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.2	175.7	-170.1	55.9	0	0	0	108.1	S207 R208 P214 D279 K288 K289 W290	S207-L216 CarbonylContact C-O 3.52Å; S207-L216 WeakPolarHBondContact CA-O 3.2Å; S207-L216 WeakPolarHBondContact CB-O 3.48Å; R208-L216 PolarHBondContact N-O 3.47Å; R208-L216 PolarHBondContact O-N 3.14Å; P214-L216 PolarHBondContact O-N 2.69Å; L216-D279 HydrophobicContact CD2-CB 4Å; L216-D279 WeakPolarHBondContact CD2-O 3.19Å; L216-K288 VanDerWaalsContact CD1-C 3.48Å; L216-K289 WeakPolarHBondContact CD1-O 3.32Å; L216-W290 HydrophobicContact CB-CH2 4.33Å; L216-W290 HydrophobicContact CB-CZ2 4.32Å; L216-W290 HydrophobicContact CD2-CD2 4.08Å; L216-W290 HydrophobicContact CD2-CE3 3.46Å; L216-W290 VanDerWaalsContact CD2-CE3 3.46Å; L216-W290 HydrophobicContact CD2-CH2 3.87Å; L216-W290 HydrophobicContact CD2-CZ2 4.47Å; L216-W290 HydrophobicContact CD2-CZ3 3.35Å; L216-W290 HydrophobicContact CG-CD2 3.81Å; L216-W290 HydrophobicContact CG-CE3 3.74Å; L216-W290 HydrophobicContact CG-CG 4.45Å; L216-W290 HydrophobicContact CG-CH2 4.09Å; L216-W290 HydrophobicContact CG-CZ2 4.2Å; L216-W290 HydrophobicContact CG-CZ3 3.9Å
217	R	98.1	Very high	94.9	Very high	75 Å²	75	52.4 Å²	52.4	28%	0.283	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	165.8	-171.8	64.1	174.8	176.3	178.3	-3.4	114.9	I205 I206 K288 K289 W290 E850	I205-R217 HydrophobicContact CD1-CB 3.82Å; I205-R217 HydrophobicContact CG1-CB 4.08Å; I206-R217 CarbonylContact O-C 3.37Å; I206-R217 WeakPolarHBondContact O-CA 3.34Å; R217-K288 PolarHBondContact N-O 2.97Å; R217-K289 CarbonylContact O-C 3.54Å; R217-K289 WeakPolarHBondContact O-CA 3.41Å; R217-K289 WeakPolarHBondContact O-CB 3.42Å; R217-W290 VanDerWaalsContact O-CD1 3.3Å; R217-W290 PolarHBondContact O-N 2.79Å; R217-W290 VanDerWaalsContact O-N 3.1Å; R217-E850 IonicContact NH2-OE1 3.95Å
218	T	98.5	Very high	94.9	Very high	7 Å²	7	53.1 Å²	53.1	4%	0.043	28%	0.275	C	S	.	.			trans	-68.5	155	169	45.1	0	0	0	0	112.4	I206 W224 L225 F293	I206-T218 HydrophobicContact CB-CG2 3.71Å; I206-T218 HydrophobicContact CG2-CG2 4.46Å; I206-T218 PolarHBondContact N-OG1 3.12Å; I206-T218 VanDerWaalsContact N-OG1 3.15Å; I206-T218 PolarHBondContact O-N 3.4Å; T218-W224 HydrophobicContact CG2-CE3 3.68Å; T218-W224 HydrophobicContact CG2-CZ3 4Å; T218-L225 HydrophobicContact CG2-CD1 4.18Å; T218-F293 HydrophobicContact CG2-CD2 4.18Å; T218-F293 HydrophobicContact CG2-CE2 4.22Å; T218-F293 HydrophobicContact CG2-CG 4.48Å
219	E	96.3	Very high	94.9	Very high	35 Å²	35	55.6 Å²	55.6	16%	0.164	29%	0.294	C	S	.	.			trans	-63.3	143.2	164.4	-77.8	-72.7	-178.3	0	0	110.9	S221 W224 L286 K289 R414	E219-S221 VanDerWaalsContact C-N 3.28Å; E219-S221 PolarHBondContact O-N 3.4Å; E219-W224 HydrophobicContact CB-CD2 3.71Å; E219-W224 HydrophobicContact CB-CE3 4.29Å; E219-W224 HydrophobicContact CB-CG 3.91Å; E219-W224 HydrophobicContact CB-CH2 4.48Å; E219-W224 HydrophobicContact CB-CZ2 3.98Å; E219-W224 HydrophobicContact CG-CD2 4.25Å; E219-W224 HydrophobicContact CG-CH2 4.12Å; E219-W224 HydrophobicContact CG-CZ2 3.54Å; E219-L286 HydrophobicContact CG-CD2 4.06Å; E219-K289 HydrophobicContact CG-CD 3.9Å; E219-K289 WeakPolarHBondContact OE1-CD 3.24Å; E219-K289 IonicContact OE1-NZ 3.18Å; E219-K289 PolarHBondContact OE1-NZ 3.26Å; E219-K289 WeakPolarHBondContact OE2-CD 3.39Å; E219-K289 WeakPolarHBondContact OE2-CE 3.22Å; E219-K289 IonicContact OE2-NZ 2.97Å; E219-K289 PolarHBondContact OE2-NZ 2.81Å; E219-R414 HydrophobicContact CG-CG 4.09Å
220	Y	93.5	Very high	95	Very high	167 Å²	167	53.5 Å²	53.5	66%	0.655	29%	0.286	S	S	*	.	S	Bend	trans	-80.2	80.7	171.1	-174.2	-124.7	0	0	0	109.7	E203	E203-Y220 HydrophobicContact CB-CE2 4.19Å; E203-Y220 HydrophobicContact CG-CD2 4.47Å; E203-Y220 HydrophobicContact CG-CE2 3.74Å
221	S	94.1	Very high	95.2	Very high	45 Å²	45	54.2 Å²	54.2	32%	0.315	29%	0.29	S	S	.	.	S	Bend	trans	-150.9	137.6	-178.5	-172.6	0	0	0	0	111.1	E219 S223 W224 L225	E219-S221 VanDerWaalsContact C-N 3.28Å; E219-S221 PolarHBondContact O-N 3.4Å; S221-S223 PolarHBondContact O-N 2.87Å; S221-S223 PolarHBondContact OG-N 2.87Å; S221-S223 PolarHBondContact OG-OG 2.81Å; S221-W224 WeakPolarHBondContact O-CB 3.09Å; S221-W224 PolarHBondContact O-N 2.77Å; S221-L225 PolarHBondContact O-N 3.04Å; S221-L225 VanDerWaalsContact O-N 3.12Å
222	T	93.7	Very high	95.7	Very high	81 Å²	81	52.8 Å²	52.8	50%	0.497	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-17	173.1	58.5	0	0	0	0	113.7	L225 N226	T222-L225 WeakPolarHBondContact CA-O 3.44Å; T222-N226 WeakPolarHBondContact CG2-OD1 3.46Å
223	S	94.4	Very high	96.2	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.021	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-34.6	173.3	-54.2	0	0	0	0	112.3	S221 K295 K364 P417	S221-S223 PolarHBondContact O-N 2.87Å; S221-S223 PolarHBondContact OG-N 2.87Å; S221-S223 PolarHBondContact OG-OG 2.81Å; S223-K295 VanDerWaalsContact O-CE 3.29Å; S223-K295 WeakPolarHBondContact O-CE 3.39Å; S223-K295 PolarHBondContact O-NZ 3.41Å; S223-K295 VanDerWaalsContact O-NZ 3.16Å; S223-K364 WeakPolarHBondContact OG-CE 3.32Å; S223-K364 PolarHBondContact OG-NZ 2.91Å; S223-P417 VanDerWaalsContact O-CG 3.26Å; S223-P417 WeakPolarHBondContact O-CG 3.39Å
224	W	97.8	Very high	96.6	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-51.5	-179.8	-76.4	58.8	0	0	0	111.1	T218 E219 S221 L286 W290 F293 K295 R414 P417	T218-W224 HydrophobicContact CG2-CE3 3.68Å; T218-W224 HydrophobicContact CG2-CZ3 4Å; E219-W224 HydrophobicContact CB-CD2 3.71Å; E219-W224 HydrophobicContact CB-CE3 4.29Å; E219-W224 HydrophobicContact CB-CG 3.91Å; E219-W224 HydrophobicContact CB-CH2 4.48Å; E219-W224 HydrophobicContact CB-CZ2 3.98Å; E219-W224 HydrophobicContact CG-CD2 4.25Å; E219-W224 HydrophobicContact CG-CH2 4.12Å; E219-W224 HydrophobicContact CG-CZ2 3.54Å; S221-W224 WeakPolarHBondContact O-CB 3.09Å; S221-W224 PolarHBondContact O-N 2.77Å; W224-L286 HydrophobicContact CH2-CD2 4.02Å; W224-L286 HydrophobicContact CZ2-CD2 3.91Å; W224-W290 HydrophobicContact CH2-CB 4.33Å; W224-W290 WeakPolarHBondContact CH2-O 3.33Å; W224-W290 HydrophobicContact CZ3-CB 4.1Å; W224-F293 HydrophobicContact CB-CE1 4.23Å; W224-F293 AromaticContact CD2-CD1 3.88Å; W224-F293 HydrophobicContact CD2-CD1 3.88Å; W224-F293 HydrophobicContact CD2-CE1 4.21Å; W224-F293 HydrophobicContact CE3-CB 4.14Å; W224-F293 AromaticContact CE3-CD1 3.31Å; W224-F293 HydrophobicContact CE3-CD1 3.31Å; W224-F293 AromaticContact CE3-CE1 3.82Å; W224-F293 HydrophobicContact CE3-CE1 3.82Å; W224-F293 AromaticContact CE3-CG 3.79Å; W224-F293 HydrophobicContact CE3-CG 3.79Å; W224-F293 HydrophobicContact CG-CE1 4.41Å; W224-F293 HydrophobicContact CH2-CB 4.21Å; W224-F293 HydrophobicContact CZ3-CB 3.61Å; W224-F293 AromaticContact CZ3-CD1 3.71Å; W224-F293 HydrophobicContact CZ3-CD1 3.71Å; W224-F293 AromaticContact CZ3-CG 3.78Å; W224-F293 HydrophobicContact CZ3-CG 3.78Å; W224-K295 WeakPolarHBondContact O-CE 3.26Å; W224-K295 PolarHBondContact O-NZ 2.97Å; W224-R414 HydrophobicContact CZ2-CG 4.38Å; W224-R414 PolarHBondContact NE1-O 3.48Å; W224-P417 HydrophobicContact CD2-CB 4.46Å; W224-P417 HydrophobicContact CG-CB 4.37Å; W224-P417 HydrophobicContact CG-CG 4.18Å
225	L	98.4	Very high	96.9	Very high	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.202	C	C	.	.			trans	-144	125	-179.6	-66.9	174.3	0	0	0	109.3	P204 I206 T218 S221 T222 P228 F230 F254 F293	P204-L225 HydrophobicContact CB-CB 4.13Å; P204-L225 HydrophobicContact CB-CD1 4.14Å; P204-L225 HydrophobicContact CG-CB 3.84Å; I206-L225 HydrophobicContact CD1-CD1 4.43Å; I206-L225 HydrophobicContact CD1-CD2 4.08Å; I206-L225 HydrophobicContact CG1-CD1 4.23Å; T218-L225 HydrophobicContact CG2-CD1 4.18Å; S221-L225 PolarHBondContact O-N 3.04Å; S221-L225 VanDerWaalsContact O-N 3.12Å; T222-L225 WeakPolarHBondContact CA-O 3.44Å; L225-P228 HydrophobicContact CB-CG 4.12Å; L225-P228 HydrophobicContact CD2-CB 4.48Å; L225-P228 HydrophobicContact CD2-CG 4.29Å; L225-F230 HydrophobicContact CD1-CZ 4.28Å; L225-F254 HydrophobicContact CD2-CE1 4.2Å; L225-F254 HydrophobicContact CD2-CE2 3.83Å; L225-F254 HydrophobicContact CD2-CZ 3.59Å; L225-F293 HydrophobicContact CD2-CZ 4.31Å
226	N	97.4	Very high	96.9	Very high	24 Å²	24	37.2 Å²	37.2	13%	0.128	19%	0.189	C	C	.	.	S	Bend	trans	-123.9	91.3	-177	-167.8	35	0	0	0	111.8	T222 E256 V257 V259	T222-N226 WeakPolarHBondContact CG2-OD1 3.46Å; N226-E256 PolarHBondContact N-OE2 3.41Å; N226-E256 VanDerWaalsContact N-OE2 3.1Å; N226-E256 WeakPolarHBondContact O-CB 3.31Å; N226-V257 WeakPolarHBondContact CB-O 3.35Å; N226-V257 WeakPolarHBondContact ND2-CB 3.37Å; N226-V257 PolarHBondContact ND2-O 2.71Å; N226-V257 PolarHBondContact O-N 3.2Å; N226-V259 HydrophobicContact CB-CG1 4.13Å
227	E	96.9	Very high	96.6	Very high	117 Å²	117	42.3 Å²	42.3	55%	0.547	21%	0.207	S	C	.	.	S	Bend	trans	49.5	54	-173	-57.1	177.3	-160.4	0	0	113.3	V257 K266	E227-V257 HydrophobicContact CB-CG2 4Å; E227-K266 IonicContact OE1-NZ 3.09Å; E227-K266 PolarHBondContact OE1-NZ 2.68Å; E227-K266 IonicContact OE2-NZ 3.82Å; E227-K266 PolarHBondContact OE2-NZ 3.08Å
228	P	98.1	Very high	95.8	Very high	16 Å²	16	39.7 Å²	39.7	10%	0.104	20%	0.202	C	C	.	.			trans	-73.1	141.7	-178.1	33.5	-37.9	0	0	0	112.8	P204 L225 F230 F254 T255 E256	P204-P228 VanDerWaalsContact CB-CD 3.46Å; P204-P228 HydrophobicContact CB-CG 3.37Å; P204-P228 HydrophobicContact CG-CG 4.1Å; L225-P228 HydrophobicContact CB-CG 4.12Å; L225-P228 HydrophobicContact CD2-CB 4.48Å; L225-P228 HydrophobicContact CD2-CG 4.29Å; P228-F230 HydrophobicContact CB-CE1 4.33Å; P228-F230 HydrophobicContact CB-CE2 4.34Å; P228-F230 HydrophobicContact CB-CZ 4.11Å; P228-F230 HydrophobicContact CG-CE1 4.3Å; P228-F230 HydrophobicContact CG-CE2 3.8Å; P228-F230 HydrophobicContact CG-CZ 3.61Å; P228-F254 HydrophobicContact CB-CB 4.42Å; P228-F254 HydrophobicContact CB-CD2 3.68Å; P228-F254 HydrophobicContact CB-CE2 4.22Å; P228-F254 HydrophobicContact CB-CG 4.28Å; P228-T255 CarbonylContact C-O 3.6Å; P228-T255 WeakPolarHBondContact CA-O 3.35Å; P228-E256 HydrophobicContact CB-CB 4.22Å
229	S	97.9	Very high	94.5	Very high	60 Å²	60	42.2 Å²	42.2	42%	0.42	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.2	160.2	-174.2	0	0	0	0	109.1	S181 F254 T255	S181-S229 WeakPolarHBondContact CB-OG 3.5Å; S181-S229 VanDerWaalsContact OG-CA 3.32Å; S181-S229 WeakPolarHBondContact OG-CA 3.35Å; S229-F254 CarbonylContact O-C 3.56Å; S229-F254 WeakPolarHBondContact O-CA 2.91Å; S229-F254 VanDerWaalsContact O-CB 3.23Å; S229-F254 WeakPolarHBondContact O-CB 3.36Å; S229-T255 PolarHBondContact N-O 2.86Å; S229-T255 PolarHBondContact O-N 2.89Å
230	F	98.4	Very high	92.8	Very high	10 Å²	10	50.4 Å²	50.4	4%	0.044	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	142.9	-180	-61.2	-77.1	0	0	0	112.2	S181 T183 G194 T195 P204 I206 L225 P228 F254	S181-F230 VanDerWaalsContact CB-N 3.35Å; S181-F230 WeakPolarHBondContact CB-O 3.33Å; S181-F230 PolarHBondContact OG-N 2.63Å; T183-F230 HydrophobicContact CG2-CB 4.12Å; G194-F230 VanDerWaalsContact C-CD2 3.48Å; G194-F230 WeakPolarHBondContact O-CD2 3.41Å; G194-F230 WeakPolarHBondContact O-CG 3.45Å; T195-F230 VanDerWaalsContact N-CE2 3.32Å; T195-F230 WeakPolarHBondContact O-CE2 3.29Å; P204-F230 HydrophobicContact CB-CZ 4.46Å; I206-F230 HydrophobicContact CD1-CE1 3.93Å; I206-F230 HydrophobicContact CG1-CE1 3.64Å; I206-F230 HydrophobicContact CG1-CZ 4.17Å; L225-F230 HydrophobicContact CD1-CZ 4.28Å; P228-F230 HydrophobicContact CB-CE1 4.33Å; P228-F230 HydrophobicContact CB-CE2 4.34Å; P228-F230 HydrophobicContact CB-CZ 4.11Å; P228-F230 HydrophobicContact CG-CE1 4.3Å; P228-F230 HydrophobicContact CG-CE2 3.8Å; P228-F230 HydrophobicContact CG-CZ 3.61Å; F230-F254 HydrophobicContact CD1-CB 4.02Å; F230-F254 HydrophobicContact CD1-CD1 4.44Å; F230-F254 HydrophobicContact CD1-CG 4.41Å; F230-F254 HydrophobicContact CE1-CD1 4.48Å
231	V	98	Very high	90.9	Very high	24 Å²	24	51.3 Å²	51.3	15%	0.145	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	-65.6	-175.7	170.5	0	0	0	0	110.5	F253 V312 H313 V315	V231-F253 WeakPolarHBondContact CB-O 3.2Å; V231-F253 PolarHBondContact N-O 3.03Å; V231-V312 HydrophobicContact CG2-CG1 3.94Å; V231-V312 WeakPolarHBondContact CG2-O 3.36Å; V231-H313 VanDerWaalsContact CG1-O 3.31Å; V231-H313 WeakPolarHBondContact CG1-O 3.35Å; V231-V315 HydrophobicContact CG1-CG2 4.36Å
232	F	98.3	Very high	89.1	Confident	54 Å²	54	55.2 Å²	55.2	24%	0.237	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	152.2	-171.5	-169.8	-103.7	0	0	0	111.8	T183 D234 Y252 F253 V315 I317	T183-F232 VanDerWaalsContact OG1-CA 3.28Å; T183-F232 WeakPolarHBondContact OG1-CA 3.48Å; F232-D234 HydrophobicContact CD1-CB 4.42Å; F232-D234 HydrophobicContact CE1-CB 3.48Å; F232-D234 VanDerWaalsContact CE1-CB 3.48Å; F232-D234 HydrophobicContact CZ-CB 3.86Å; F232-Y252 CarbonylContact O-C 3.48Å; F232-Y252 WeakPolarHBondContact O-CA 3.19Å; F232-F253 HydrophobicContact CB-CB 4.36Å; F232-F253 HydrophobicContact CB-CD2 4.18Å; F232-F253 HydrophobicContact CD1-CD2 4.03Å; F232-F253 HydrophobicContact CD1-CE2 4.26Å; F232-F253 PolarHBondContact N-O 3.26Å; F232-F253 PolarHBondContact O-N 2.89Å; F232-V315 HydrophobicContact CB-CB 3.99Å; F232-V315 HydrophobicContact CD1-CB 4.42Å; F232-V315 WeakPolarHBondContact CD1-O 3.44Å; F232-V315 WeakPolarHBondContact CD2-O 3.4Å; F232-V315 HydrophobicContact CG-CB 4.38Å; F232-V315 WeakPolarHBondContact CG-O 3.2Å; F232-I317 HydrophobicContact CD1-CD1 4.41Å; F232-I317 HydrophobicContact CD1-CG1 4.4Å; F232-I317 HydrophobicContact CE1-CD1 3.86Å; F232-I317 HydrophobicContact CE1-CG1 3.81Å
233	A	98.4	Very high	87.1	Confident	5 Å²	5	54.3 Å²	54.3	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	139.7	170.4	0	0	0	0	0	111.1	T183 V185 Y251 Y252	T183-A233 HydrophobicContact CG2-CB 3.68Å; T183-A233 PolarHBondContact OG1-N 2.7Å; T183-A233 VanDerWaalsContact OG1-N 3.09Å; V185-A233 HydrophobicContact CG1-CB 4.3Å; A233-Y251 WeakPolarHBondContact CA-O 3.26Å; A233-Y251 WeakPolarHBondContact CB-O 3.43Å; A233-Y252 HydrophobicContact CB-CD1 3.62Å; A233-Y252 HydrophobicContact CB-CE1 3.9Å; A233-Y252 HydrophobicContact CB-CG 4.22Å
234	D	97.9	Very high	85.4	Confident	24 Å²	24	56.6 Å²	56.6	13%	0.128	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	162.8	179.5	-176.7	18.3	0	0	0	110.9	F232 Y251 I317 K319	F232-D234 HydrophobicContact CD1-CB 4.42Å; F232-D234 HydrophobicContact CE1-CB 3.48Å; F232-D234 VanDerWaalsContact CE1-CB 3.48Å; F232-D234 HydrophobicContact CZ-CB 3.86Å; D234-Y251 PolarHBondContact N-O 2.87Å; D234-Y251 PolarHBondContact O-N 3.27Å; D234-I317 HydrophobicContact CB-CD1 3.94Å; D234-K319 IonicContact OD1-NZ 3.27Å; D234-K319 PolarHBondContact OD1-NZ 2.82Å; D234-K319 WeakPolarHBondContact OD2-CE 3.12Å; D234-K319 IonicContact OD2-NZ 2.89Å; D234-K319 PolarHBondContact OD2-NZ 2.93Å
235	V	96.8	Very high	83.9	Confident	12 Å²	12	57.7 Å²	57.7	7%	0.073	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.5	177.6	59.8	0	0	0	0	112	V187 R237 D248 I250 K319	V187-V235 HydrophobicContact CG1-CB 4.28Å; V187-V235 HydrophobicContact CG1-CG1 4.34Å; V187-V235 HydrophobicContact CG1-CG2 4.15Å; V187-V235 HydrophobicContact CG2-CB 3.91Å; V187-V235 HydrophobicContact CG2-CG1 4.01Å; V235-R237 HydrophobicContact CG2-CG 4.26Å; V235-D248 HydrophobicContact CG2-CB 4.06Å; V235-I250 HydrophobicContact CB-CD1 3.65Å; V235-I250 HydrophobicContact CG2-CD1 3.69Å; V235-K319 PolarHBondContact O-NZ 3.27Å; V235-K319 VanDerWaalsContact O-NZ 3.09Å
236	I	94.8	Very high	82.7	Confident	13 Å²	13	61.5 Å²	61.5	7%	0.067	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	113.1	159.6	-53	-56.5	0	0	0	107.7	K249 Y251 I317 W323 T326 F328 M349	I236-K249 PolarHBondContact N-O 2.89Å; I236-K249 PolarHBondContact O-N 2.75Å; I236-Y251 HydrophobicContact CB-CD2 4.2Å; I236-Y251 HydrophobicContact CB-CE2 4.16Å; I236-Y251 HydrophobicContact CG1-CD2 3.66Å; I236-Y251 HydrophobicContact CG1-CE2 3.95Å; I236-I317 HydrophobicContact CD1-CD1 4.15Å; I236-I317 HydrophobicContact CD1-CG2 3.81Å; I236-W323 HydrophobicContact CG2-CB 4.23Å; I236-T326 HydrophobicContact CD1-CG2 4.2Å; I236-F328 HydrophobicContact CD1-CE1 4.03Å; I236-F328 HydrophobicContact CD1-CZ 4.41Å; I236-F328 HydrophobicContact CG1-CE1 4.4Å; I236-F328 HydrophobicContact CG1-CZ 4.28Å; I236-M349 HydrophobicContact CB-CE 4.16Å; I236-M349 HydrophobicContact CG1-CE 4.12Å; I236-M349 HydrophobicContact CG1-SD 4.48Å; I236-M349 HydrophobicContact CG2-CE 3.83Å
237	R	91.1	Very high	82.2	Confident	108 Å²	108	61.8 Å²	61.8	41%	0.408	32%	0.316	S	S	.	.			trans	-76.2	142.1	-179	-61.8	-66.8	-171.8	147.8	7.4	110.7	D188 V235 D248	D188-R237 IonicContact OD1-CZ 3.88Å; D188-R237 IonicContact OD1-NH1 2.66Å; D188-R237 PolarHBondContact OD1-NH1 2.94Å; D188-R237 IonicContact OD1-NH2 3.75Å; D188-R237 PolarHBondContact OD1-NH2 2.82Å; D188-R237 IonicContact OD2-CZ 2.89Å; D188-R237 IonicContact OD2-NH1 2.69Å; D188-R237 PolarHBondContact OD2-NH1 2.75Å; D188-R237 IonicContact OD2-NH2 2.75Å; V235-R237 HydrophobicContact CG2-CG 4.26Å; R237-D248 WeakPolarHBondContact CA-OD1 3.46Å; R237-D248 WeakPolarHBondContact CD-OD1 3.4Å; R237-D248 WeakPolarHBondContact CD-OD2 3.47Å; R237-D248 IonicContact CZ-OD2 3.98Å; R237-D248 IonicContact NE-OD2 3.32Å; R237-D248 IonicContact NH1-OD2 3.96Å; R237-D248 PolarHBondContact NH1-OD2 2.97Å
238	A	81.1	Confident	82.1	Confident	21 Å²	21	57.3 Å²	57.3	17%	0.174	30%	0.296	C	S	.	.			trans	-74.7	154.5	175.2	0	0	0	0	0	112.2	K240 E246 D248	A238-K240 PolarHBondContact O-N 3.49Å; A238-K240 VanDerWaalsContact O-N 3.14Å; A238-E246 HydrophobicContact CB-CB 3.95Å; A238-E246 VanDerWaalsContact CB-O 3.31Å; A238-E246 WeakPolarHBondContact CB-O 3.21Å; A238-D248 PolarHBondContact N-OD1 2.64Å
239	E	70.6	Confident	82	Confident	60 Å²	60	57.4 Å²	57.4	28%	0.28	29%	0.294	S	S	.	.			trans	-72.6	104	-179.6	-119.6	-174.8	147.2	0	0	111.4	H241 R242 W323	E239-H241 PolarHBondContact O-N 3.2Å; E239-R242 HydrophobicContact CB-CG 4.18Å; E239-R242 PolarHBondContact O-N 2.98Å; E239-R242 WeakPolarHBondContact OE2-CD 3.41Å; E239-R242 IonicContact OE2-CZ 3.89Å; E239-R242 IonicContact OE2-NE 2.67Å; E239-R242 PolarHBondContact OE2-NE 2.86Å; E239-R242 IonicContact OE2-NH2 3.68Å; E239-W323 PolarHBondContact OE2-NE1 3.02Å
240	K	61.1	Low	82	Confident	206 Å²	206	54.5 Å²	54.5	90%	0.896	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-19.7	-179.7	-67.9	-177.8	179.5	176.2	0	114.6	A238	A238-K240 PolarHBondContact O-N 3.49Å; A238-K240 VanDerWaalsContact O-N 3.14Å
241	H	54.5	Low	82	Confident	186 Å²	186	54 Å²	54	86%	0.861	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-10.6	-174.7	-69.2	-62.9	0	0	0	115.5	E239	E239-H241 PolarHBondContact O-N 3.2Å
242	R	54.8	Low	82	Confident	128 Å²	128	52.9 Å²	52.9	48%	0.483	27%	0.265	S	S	.	.	S	Bend	trans	-78.2	-20.3	-173.9	-81.4	-170.9	176	-100.5	-14.1	115.9	E239 D244	E239-R242 HydrophobicContact CB-CG 4.18Å; E239-R242 PolarHBondContact O-N 2.98Å; E239-R242 WeakPolarHBondContact OE2-CD 3.41Å; E239-R242 IonicContact OE2-CZ 3.89Å; E239-R242 IonicContact OE2-NE 2.67Å; E239-R242 PolarHBondContact OE2-NE 2.86Å; E239-R242 IonicContact OE2-NH2 3.68Å; R242-D244 WeakPolarHBondContact CB-OD2 3.38Å; R242-D244 WeakPolarHBondContact CD-OD2 3.47Å; R242-D244 PolarHBondContact O-N 2.85Å
243	G	52.3	Low	82.1	Confident	62 Å²	62	50.3 Å²	50.3	64%	0.639	25%	0.254	S	S	*	.	S	Bend	trans	67	1.9	-179.4	0	0	0	0	0	115.3	G245 N392	G243-G245 VanDerWaalsContact C-N 3.28Å; G243-N392 PolarHBondContact O-ND2 3.1Å
244	D	59.3	Low	82.1	Confident	51 Å²	51	50.1 Å²	50.1	27%	0.273	25%	0.252	S	S	.	.	S	Bend	trans	-75	-17.6	170.4	52.4	23.4	0	0	0	112.7	R242 E246 N392	R242-D244 WeakPolarHBondContact CB-OD2 3.38Å; R242-D244 WeakPolarHBondContact CD-OD2 3.47Å; R242-D244 PolarHBondContact O-N 2.85Å; D244-E246 VanDerWaalsContact C-N 3.27Å; D244-E246 PolarHBondContact O-N 2.84Å; D244-E246 PolarHBondContact OD1-N 2.93Å; D244-E246 VanDerWaalsContact OD1-N 3.1Å; D244-N392 VanDerWaalsContact C-ND2 3.31Å; D244-N392 WeakPolarHBondContact O-CB 3.23Å; D244-N392 PolarHBondContact O-N 3.09Å; D244-N392 PolarHBondContact O-ND2 3.4Å
245	G	65.4	Low	82.1	Confident	24 Å²	24	49.2 Å²	49.2	25%	0.247	25%	0.248	C	C	.	.			trans	62.3	36	-179.4	0	0	0	0	0	112.3	G243 N392 R395	G243-G245 VanDerWaalsContact C-N 3.28Å; G245-N392 PolarHBondContact N-ND2 3.3Å; G245-R395 PolarHBondContact O-NH1 2.75Å
246	E	74.2	Confident	82.2	Confident	86 Å²	86	48.7 Å²	48.7	40%	0.402	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-54.8	147	166.7	-80.6	-158.6	-164.5	0	0	111.3	A238 D244 K249	A238-E246 HydrophobicContact CB-CB 3.95Å; A238-E246 VanDerWaalsContact CB-O 3.31Å; A238-E246 WeakPolarHBondContact CB-O 3.21Å; D244-E246 VanDerWaalsContact C-N 3.27Å; D244-E246 PolarHBondContact O-N 2.84Å; D244-E246 PolarHBondContact OD1-N 2.93Å; D244-E246 VanDerWaalsContact OD1-N 3.1Å; E246-K249 IonicContact OE2-NZ 3.81Å; E246-K249 PolarHBondContact OE2-NZ 2.83Å
247	D	86.9	Confident	82.3	Confident	30 Å²	30	48.7 Å²	48.7	16%	0.16	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-95.7	150.7	-178.2	-170.2	21	0	0	0	110.5	K249 C276 K277 G278 C389	D247-K249 WeakPolarHBondContact O-CG 3.31Å; D247-C276 WeakPolarHBondContact OD2-CB 3.27Å; D247-K277 PolarHBondContact OD2-N 3.1Å; D247-G278 PolarHBondContact OD1-N 2.87Å; D247-G278 WeakPolarHBondContact OD2-CA 3.48Å; D247-G278 PolarHBondContact OD2-N 3.46Å; D247-C389 HydrophobicContact CB-CB 3.84Å
248	D	93.6	Very high	82.5	Confident	24 Å²	24	44.1 Å²	44.1	13%	0.128	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-61.5	145.4	172.2	-67.5	-24.3	0	0	0	109.1	V235 R237 A238 K277	V235-D248 HydrophobicContact CG2-CB 4.06Å; R237-D248 WeakPolarHBondContact CA-OD1 3.46Å; R237-D248 WeakPolarHBondContact CD-OD1 3.4Å; R237-D248 WeakPolarHBondContact CD-OD2 3.47Å; R237-D248 IonicContact CZ-OD2 3.98Å; R237-D248 IonicContact NE-OD2 3.32Å; R237-D248 IonicContact NH1-OD2 3.96Å; R237-D248 PolarHBondContact NH1-OD2 2.97Å; A238-D248 PolarHBondContact N-OD1 2.64Å; D248-K277 HydrophobicContact CB-CB 3.85Å; D248-K277 HydrophobicContact CB-CD 3.76Å; D248-K277 HydrophobicContact CB-CG 4.41Å; D248-K277 VanDerWaalsContact O-CB 3.24Å; D248-K277 WeakPolarHBondContact O-CB 3.43Å; D248-K277 PolarHBondContact O-N 3.09Å; D248-K277 IonicContact OD2-NZ 3.41Å
249	K	96	Very high	83	Confident	17 Å²	17	44.6 Å²	44.6	7%	0.074	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	131	-175.5	-50.6	-168.9	-165	87.3	0	110.3	I236 E246 D247 Y251 R274 V275 E353	I236-K249 PolarHBondContact N-O 2.89Å; I236-K249 PolarHBondContact O-N 2.75Å; E246-K249 IonicContact OE2-NZ 3.81Å; E246-K249 PolarHBondContact OE2-NZ 2.83Å; D247-K249 WeakPolarHBondContact O-CG 3.31Å; K249-Y251 HydrophobicContact CB-CD2 4.33Å; K249-Y251 HydrophobicContact CB-CE2 3.71Å; K249-R274 VanDerWaalsContact CD-NH1 3.29Å; K249-V275 WeakPolarHBondContact CA-O 3.45Å; K249-E353 VanDerWaalsContact CD-OE1 3.29Å; K249-E353 WeakPolarHBondContact CD-OE1 3.36Å; K249-E353 VanDerWaalsContact CE-OE1 3.23Å; K249-E353 WeakPolarHBondContact CE-OE1 3.43Å; K249-E353 IonicContact NZ-OE1 3.95Å; K249-E353 PolarHBondContact NZ-OE1 2.95Å
250	I	98.4	Very high	83.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.1	177	-45.8	-49.5	0	0	0	107.8	V185 V187 Y192 V235 Y252 R274 V275	V185-I250 HydrophobicContact CG1-CG2 4.13Å; V187-I250 HydrophobicContact CB-CD1 4.43Å; V187-I250 HydrophobicContact CG1-CD1 4.29Å; V187-I250 HydrophobicContact CG2-CD1 3.85Å; Y192-I250 HydrophobicContact CD1-CB 4.19Å; Y192-I250 HydrophobicContact CD1-CG1 3.64Å; Y192-I250 HydrophobicContact CD1-CG2 4.14Å; Y192-I250 HydrophobicContact CD2-CG1 4.31Å; Y192-I250 HydrophobicContact CE1-CB 4.41Å; Y192-I250 HydrophobicContact CE1-CD1 4.49Å; Y192-I250 HydrophobicContact CE1-CG1 3.51Å; Y192-I250 HydrophobicContact CE2-CD1 4.43Å; Y192-I250 HydrophobicContact CE2-CG1 4.25Å; Y192-I250 HydrophobicContact CG-CG1 4.02Å; Y192-I250 HydrophobicContact CG-CG2 4.2Å; V235-I250 HydrophobicContact CB-CD1 3.65Å; V235-I250 HydrophobicContact CG2-CD1 3.69Å; I250-Y252 HydrophobicContact CB-CE2 4.18Å; I250-Y252 HydrophobicContact CG2-CD2 4.38Å; I250-Y252 HydrophobicContact CG2-CE2 3.72Å; I250-R274 CarbonylContact O-C 3.54Å; I250-R274 WeakPolarHBondContact O-CA 3.42Å; I250-V275 HydrophobicContact CB-CG2 3.91Å; I250-V275 HydrophobicContact CG1-CG2 4.29Å; I250-V275 PolarHBondContact N-O 2.81Å; I250-V275 PolarHBondContact O-N 2.85Å
251	Y	98.6	Very high	85.1	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	143.6	178	-78.3	-94.4	0	0	0	110.2	A233 D234 I236 K249 V272 A273 R274 F328 M349 V352 E353 F356	A233-Y251 WeakPolarHBondContact CA-O 3.26Å; A233-Y251 WeakPolarHBondContact CB-O 3.43Å; D234-Y251 PolarHBondContact N-O 2.87Å; D234-Y251 PolarHBondContact O-N 3.27Å; I236-Y251 HydrophobicContact CB-CD2 4.2Å; I236-Y251 HydrophobicContact CB-CE2 4.16Å; I236-Y251 HydrophobicContact CG1-CD2 3.66Å; I236-Y251 HydrophobicContact CG1-CE2 3.95Å; K249-Y251 HydrophobicContact CB-CD2 4.33Å; K249-Y251 HydrophobicContact CB-CE2 3.71Å; Y251-V272 HydrophobicContact CD1-CG2 3.71Å; Y251-V272 HydrophobicContact CE1-CG2 4.29Å; Y251-A273 CarbonylContact C-O 3.58Å; Y251-A273 WeakPolarHBondContact CA-O 3.2Å; Y251-R274 HydrophobicContact CD1-CB 3.99Å; Y251-R274 HydrophobicContact CE1-CB 3.79Å; Y251-R274 HydrophobicContact CE2-CB 4.4Å; Y251-R274 HydrophobicContact CG-CB 4.37Å; Y251-R274 WeakPolarHBondContact OH-CD 3.12Å; Y251-R274 PolarHBondContact OH-NH1 2.86Å; Y251-F328 HydrophobicContact CD1-CE2 4.33Å; Y251-F328 HydrophobicContact CD1-CZ 4.46Å; Y251-F328 HydrophobicContact CG-CZ 4.44Å; Y251-M349 HydrophobicContact CE2-CE 3.63Å; Y251-M349 WeakPolarHBondContact OH-CE 3.34Å; Y251-V352 HydrophobicContact CD1-CG1 4.5Å; Y251-V352 HydrophobicContact CE1-CG1 3.72Å; Y251-E353 PolarHBondContact OH-OE1 2.69Å; Y251-F356 HydrophobicContact CE1-CD2 4.25Å; Y251-F356 AromaticContact CE1-CE2 3.89Å; Y251-F356 HydrophobicContact CE1-CE2 3.89Å
252	Y	98.8	Very high	86.2	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.9	176.6	-65.1	-97.6	0	0	0	109.8	T183 Y192 I206 F232 A233 I250 V272 A273 V275	T183-Y252 HydrophobicContact CG2-CD1 4.2Å; Y192-Y252 WeakPolarHBondContact CB-OH 3.37Å; I206-Y252 HydrophobicContact CD1-CD1 4.12Å; I206-Y252 HydrophobicContact CD1-CD2 4.39Å; I206-Y252 HydrophobicContact CD1-CG 3.99Å; I206-Y252 HydrophobicContact CG1-CD1 4.17Å; I206-Y252 HydrophobicContact CG1-CE1 4.28Å; I206-Y252 HydrophobicContact CG2-CD1 4.23Å; I206-Y252 HydrophobicContact CG2-CD2 4.18Å; I206-Y252 HydrophobicContact CG2-CE1 3.69Å; I206-Y252 HydrophobicContact CG2-CE2 3.62Å; I206-Y252 HydrophobicContact CG2-CG 4.44Å; I206-Y252 WeakPolarHBondContact CG2-OH 3.16Å; F232-Y252 CarbonylContact O-C 3.48Å; F232-Y252 WeakPolarHBondContact O-CA 3.19Å; A233-Y252 HydrophobicContact CB-CD1 3.62Å; A233-Y252 HydrophobicContact CB-CE1 3.9Å; A233-Y252 HydrophobicContact CB-CG 4.22Å; I250-Y252 HydrophobicContact CB-CE2 4.18Å; I250-Y252 HydrophobicContact CG2-CD2 4.38Å; I250-Y252 HydrophobicContact CG2-CE2 3.72Å; Y252-V272 WeakPolarHBondContact O-CA 3.42Å; Y252-A273 PolarHBondContact N-O 3.43Å; Y252-A273 PolarHBondContact O-N 2.9Å; Y252-V275 HydrophobicContact CE2-CG2 4.06Å
253	F	98.9	Very high	87.4	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.5	177.7	-58.3	-91.1	0	0	0	109.2	V231 F232 R271 V272 L298 V315 I317 F328	V231-F253 WeakPolarHBondContact CB-O 3.2Å; V231-F253 PolarHBondContact N-O 3.03Å; F232-F253 HydrophobicContact CB-CB 4.36Å; F232-F253 HydrophobicContact CB-CD2 4.18Å; F232-F253 HydrophobicContact CD1-CD2 4.03Å; F232-F253 HydrophobicContact CD1-CE2 4.26Å; F232-F253 PolarHBondContact N-O 3.26Å; F232-F253 PolarHBondContact O-N 2.89Å; F253-R271 WeakPolarHBondContact CA-O 3.41Å; F253-V272 HydrophobicContact CD1-CB 4.1Å; F253-V272 HydrophobicContact CD1-CG2 4.15Å; F253-V272 HydrophobicContact CE1-CB 3.88Å; F253-V272 HydrophobicContact CE1-CG2 3.59Å; F253-V272 HydrophobicContact CZ-CG2 3.98Å; F253-L298 HydrophobicContact CD1-CD2 4.07Å; F253-L298 HydrophobicContact CE1-CD2 4.37Å; F253-V315 HydrophobicContact CB-CB 4.39Å; F253-V315 HydrophobicContact CB-CG2 3.84Å; F253-V315 HydrophobicContact CD1-CB 4.45Å; F253-V315 HydrophobicContact CD1-CG1 4.07Å; F253-V315 HydrophobicContact CD1-CG2 3.95Å; F253-V315 HydrophobicContact CD2-CB 4.28Å; F253-V315 HydrophobicContact CD2-CG1 4.03Å; F253-V315 HydrophobicContact CD2-CG2 4.49Å; F253-V315 HydrophobicContact CE1-CG1 4.05Å; F253-V315 HydrophobicContact CE2-CG1 4.03Å; F253-V315 HydrophobicContact CG-CB 4.12Å; F253-V315 HydrophobicContact CG-CG1 4.05Å; F253-V315 HydrophobicContact CG-CG2 3.84Å; F253-V315 HydrophobicContact CZ-CG1 4.03Å; F253-I317 HydrophobicContact CE2-CD1 4.19Å; F253-F328 AromaticContact CE1-CD2 3.88Å; F253-F328 HydrophobicContact CE1-CD2 3.88Å; F253-F328 HydrophobicContact CE1-CE2 4.3Å; F253-F328 HydrophobicContact CE1-CG 4.5Å; F253-F328 AromaticContact CZ-CD2 3.56Å; F253-F328 HydrophobicContact CZ-CD2 3.56Å; F253-F328 AromaticContact CZ-CE2 3.7Å; F253-F328 HydrophobicContact CZ-CE2 3.7Å; F253-F328 HydrophobicContact CZ-CG 4.04Å; F253-F328 HydrophobicContact CZ-CZ 4.31Å
254	F	98.8	Very high	88.5	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	156.6	-178.1	57.4	-90	0	0	0	111.1	I206 L225 P228 S229 F230 E256 R271 A273 K295	I206-F254 HydrophobicContact CD1-CE1 4.18Å; L225-F254 HydrophobicContact CD2-CE1 4.2Å; L225-F254 HydrophobicContact CD2-CE2 3.83Å; L225-F254 HydrophobicContact CD2-CZ 3.59Å; P228-F254 HydrophobicContact CB-CB 4.42Å; P228-F254 HydrophobicContact CB-CD2 3.68Å; P228-F254 HydrophobicContact CB-CE2 4.22Å; P228-F254 HydrophobicContact CB-CG 4.28Å; S229-F254 CarbonylContact O-C 3.56Å; S229-F254 WeakPolarHBondContact O-CA 2.91Å; S229-F254 VanDerWaalsContact O-CB 3.23Å; S229-F254 WeakPolarHBondContact O-CB 3.36Å; F230-F254 HydrophobicContact CD1-CB 4.02Å; F230-F254 HydrophobicContact CD1-CD1 4.44Å; F230-F254 HydrophobicContact CD1-CG 4.41Å; F230-F254 HydrophobicContact CE1-CD1 4.48Å; F254-E256 HydrophobicContact CD2-CB 4.01Å; F254-E256 HydrophobicContact CD2-CG 4.43Å; F254-E256 HydrophobicContact CE2-CB 4.02Å; F254-E256 HydrophobicContact CE2-CG 4.08Å; F254-R271 HydrophobicContact CD1-CB 4.32Å; F254-R271 HydrophobicContact CD2-CB 3.95Å; F254-R271 HydrophobicContact CD2-CG 4.11Å; F254-R271 HydrophobicContact CE1-CB 4.06Å; F254-R271 HydrophobicContact CE2-CB 3.67Å; F254-R271 HydrophobicContact CE2-CG 3.64Å; F254-R271 HydrophobicContact CG-CB 4.27Å; F254-R271 HydrophobicContact CZ-CB 3.73Å; F254-R271 HydrophobicContact CZ-CG 4.04Å; F254-R271 PolarHBondContact N-O 2.81Å; F254-R271 PolarHBondContact O-N 2.98Å; F254-A273 HydrophobicContact CE1-CB 3.71Å; F254-A273 HydrophobicContact CZ-CB 4.28Å; F254-K295 HydrophobicContact CZ-CD 4.21Å
255	T	98.7	Very high	89.7	Confident	6 Å²	6	37.7 Å²	37.7	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.9	168.3	-59.9	0	0	0	0	108.5	P228 S229 L268 I269 V311 V312	P228-T255 CarbonylContact C-O 3.6Å; P228-T255 WeakPolarHBondContact CA-O 3.35Å; S229-T255 PolarHBondContact N-O 2.86Å; S229-T255 PolarHBondContact O-N 2.89Å; T255-L268 HydrophobicContact CG2-CB 3.68Å; T255-L268 HydrophobicContact CG2-CD1 4.32Å; T255-L268 HydrophobicContact CG2-CD2 4.45Å; T255-L268 HydrophobicContact CG2-CG 4.37Å; T255-I269 WeakPolarHBondContact CA-O 3.35Å; T255-V311 HydrophobicContact CG2-CG1 4.43Å; T255-V311 HydrophobicContact CG2-CG2 4.49Å; T255-V312 VanDerWaalsContact OG1-CG1 3.29Å; T255-V312 WeakPolarHBondContact OG1-CG1 3.26Å; T255-V312 PolarHBondContact OG1-N 3.13Å; T255-V312 PolarHBondContact OG1-O 2.74Å
256	E	98	Very high	90.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	168.4	176.8	72.9	171.8	175.2	0	0	112.3	N226 P228 F254 S258 L268 I269 R271 K295	N226-E256 PolarHBondContact N-OE2 3.41Å; N226-E256 VanDerWaalsContact N-OE2 3.1Å; N226-E256 WeakPolarHBondContact O-CB 3.31Å; P228-E256 HydrophobicContact CB-CB 4.22Å; F254-E256 HydrophobicContact CD2-CB 4.01Å; F254-E256 HydrophobicContact CD2-CG 4.43Å; F254-E256 HydrophobicContact CE2-CB 4.02Å; F254-E256 HydrophobicContact CE2-CG 4.08Å; E256-S258 PolarHBondContact O-N 2.89Å; E256-L268 CarbonylContact O-C 3.57Å; E256-L268 WeakPolarHBondContact O-CA 3.1Å; E256-I269 PolarHBondContact N-O 3.32Å; E256-I269 PolarHBondContact O-N 2.96Å; E256-R271 HydrophobicContact CG-CG 3.88Å; E256-R271 IonicContact OE1-CZ 3.3Å; E256-R271 VanDerWaalsContact OE1-CZ 3.32Å; E256-R271 IonicContact OE1-NE 3.54Å; E256-R271 PolarHBondContact OE1-NE 2.97Å; E256-R271 IonicContact OE1-NH2 3.79Å; E256-R271 PolarHBondContact OE1-NH2 2.8Å; E256-K295 VanDerWaalsContact OE1-CE 3.27Å; E256-K295 WeakPolarHBondContact OE1-CE 3.14Å; E256-K295 IonicContact OE1-NZ 3.43Å; E256-K295 PolarHBondContact OE1-NZ 2.61Å; E256-K295 IonicContact OE2-NZ 2.75Å; E256-K295 PolarHBondContact OE2-NZ 3.35Å
257	V	97.2	Very high	91.8	Very high	14 Å²	14	39.6 Å²	39.6	9%	0.085	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	121.1	170.5	178	0	0	0	0	109.6	N226 E227 V259 K266 L268	N226-V257 WeakPolarHBondContact CB-O 3.35Å; N226-V257 WeakPolarHBondContact ND2-CB 3.37Å; N226-V257 PolarHBondContact ND2-O 2.71Å; N226-V257 PolarHBondContact O-N 3.2Å; E227-V257 HydrophobicContact CB-CG2 4Å; V257-V259 PolarHBondContact O-N 2.84Å; V257-K266 HydrophobicContact CG1-CB 4.26Å; V257-K266 HydrophobicContact CG1-CD 4.49Å; V257-K266 HydrophobicContact CG1-CG 4.14Å; V257-K266 HydrophobicContact CG2-CB 4.45Å; V257-K266 HydrophobicContact CG2-CD 4.06Å; V257-K266 HydrophobicContact CG2-CG 4.46Å; V257-L268 HydrophobicContact CG2-CD2 4Å
258	S	95	Very high	92.2	Very high	12 Å²	12	40.6 Å²	40.6	8%	0.084	20%	0.2	C	C	.	.			trans	-44.2	133.7	172.4	170.7	0	0	0	0	112.1	E256 Y261 L267	E256-S258 PolarHBondContact O-N 2.89Å; S258-Y261 WeakPolarHBondContact OG-CB 3.35Å; S258-Y261 PolarHBondContact OG-N 2.88Å; S258-Y261 PolarHBondContact OG-O 2.58Å; S258-Y261 VanDerWaalsContact OG-O 3.09Å; S258-L267 WeakPolarHBondContact CB-O 3.38Å; S258-L267 PolarHBondContact N-O 2.89Å
259	V	91.5	Very high	92.4	Very high	30 Å²	30	39.7 Å²	39.7	18%	0.182	20%	0.195	C	C	.	.	S	Bend	trans	-106.2	-21.5	167.4	-61.5	0	0	0	0	111.4	N226 V257 W374 L418	N226-V259 HydrophobicContact CB-CG1 4.13Å; V257-V259 PolarHBondContact O-N 2.84Å; V259-W374 HydrophobicContact CG2-CD2 4.16Å; V259-W374 HydrophobicContact CG2-CG 4.3Å; V259-W374 HydrophobicContact CG2-CZ2 4.06Å; V259-L418 HydrophobicContact CG2-CD2 3.86Å
260	E	90.2	Very high	92.5	Very high	31 Å²	31	39.1 Å²	39.1	15%	0.145	19%	0.193	C	C	.	.	S	Bend	trans	-96.9	-15.9	-171	71.7	-84.6	-153.2	0	0	115.3	I269 R271 M362 W374 L418	E260-I269 WeakPolarHBondContact OE1-CD1 3.4Å; E260-R271 VanDerWaalsContact CD-NH2 3.3Å; E260-R271 IonicContact OE1-CZ 2.85Å; E260-R271 VanDerWaalsContact OE1-CZ 3.27Å; E260-R271 IonicContact OE1-NH1 3.37Å; E260-R271 PolarHBondContact OE1-NH1 2.87Å; E260-R271 IonicContact OE1-NH2 3.55Å; E260-R271 PolarHBondContact OE1-NH2 3.4Å; E260-R271 IonicContact OE2-CZ 3.6Å; E260-R271 IonicContact OE2-NH1 3.93Å; E260-R271 IonicContact OE2-NH2 3.67Å; E260-R271 PolarHBondContact OE2-NH2 3.02Å; E260-M362 HydrophobicContact CB-CE 3.88Å; E260-M362 HydrophobicContact CB-SD 3.65Å; E260-M362 HydrophobicContact CG-SD 4.07Å; E260-W374 HydrophobicContact CB-CB 3.98Å; E260-L418 HydrophobicContact CB-CD2 4.34Å
261	Y	85.4	Confident	92.5	Very high	115 Å²	115	39.1 Å²	39.1	45%	0.451	19%	0.193	S	C	.	.			trans	-117	131.8	170.7	-55.5	-87.2	0	0	0	111.2	S258 L267 I269 K297	S258-Y261 WeakPolarHBondContact OG-CB 3.35Å; S258-Y261 PolarHBondContact OG-N 2.88Å; S258-Y261 PolarHBondContact OG-O 2.58Å; S258-Y261 VanDerWaalsContact OG-O 3.09Å; Y261-L267 HydrophobicContact CD2-CD2 4.26Å; Y261-L267 HydrophobicContact CG-CD2 4.21Å; Y261-I269 HydrophobicContact CD2-CD1 3.5Å; Y261-I269 VanDerWaalsContact CD2-CD1 3.5Å; Y261-I269 HydrophobicContact CE2-CD1 3.72Å; Y261-K297 HydrophobicContact CE2-CD 4.32Å; Y261-K297 PolarHBondContact OH-NZ 2.89Å
262	E	78.9	Confident	92.6	Very high	128 Å²	128	39.1 Å²	39.1	60%	0.598	19%	0.193	S	C	*	.			trans	-89.9	133.2	167.6	-66.4	166.5	168.1	0	0	109.1	K373	E262-K373 VanDerWaalsContact CD-NZ 3.31Å; E262-K373 WeakPolarHBondContact OE1-CE 3.47Å; E262-K373 IonicContact OE1-NZ 3.55Å; E262-K373 PolarHBondContact OE1-NZ 3.14Å; E262-K373 IonicContact OE2-NZ 2.64Å; E262-K373 PolarHBondContact OE2-NZ 3.37Å
263	F	78.6	Confident	92.6	Very high	83 Å²	83	39.1 Å²	39.1	36%	0.364	19%	0.193	S	C	.	.			trans	-144.9	170.1	177.7	-165.6	-107.8	0	0	0	110.1	F30 G265 L267 W336	F30-F263 HydrophobicContact CE2-CE2 4.23Å; F30-F263 AromaticContact CE2-CZ 3.82Å; F30-F263 HydrophobicContact CE2-CZ 3.82Å; F30-F263 AromaticContact CZ-CE2 3.98Å; F30-F263 HydrophobicContact CZ-CE2 3.98Å; F30-F263 AromaticContact CZ-CZ 3.59Å; F30-F263 HydrophobicContact CZ-CZ 3.59Å; F263-G265 PolarHBondContact O-N 2.88Å; F263-L267 HydrophobicContact CB-CB 4.33Å; F263-W336 HydrophobicContact CE1-CZ2 4.17Å; F263-W336 HydrophobicContact CZ-CZ2 4.43Å
264	F	76.9	Confident	92.5	Very high	147 Å²	147	39.5 Å²	39.5	65%	0.645	19%	0.194	S	C	*	.	S	Bend	trans	-60.3	-14.8	-178.5	-65.5	-82.5	0	0	0	114.7	V26	V26-F264 HydrophobicContact CB-CE2 4.44Å; V26-F264 HydrophobicContact CG1-CD2 4.42Å; V26-F264 HydrophobicContact CG1-CE2 3.82Å; V26-F264 HydrophobicContact CG1-CZ 4.43Å; V26-F264 HydrophobicContact CG2-CE2 4.19Å; V26-F264 HydrophobicContact CG2-CZ 4.11Å
265	G	84	Confident	92.5	Very high	44 Å²	44	39.5 Å²	39.5	45%	0.454	19%	0.194	S	C	.	.	S	Bend	trans	-153.4	-174.4	171.6	0	0	0	0	0	109.9	F263 L267	F263-G265 PolarHBondContact O-N 2.88Å; G265-L267 PolarHBondContact O-N 2.89Å; G265-L267 VanDerWaalsContact O-N 3.14Å
266	K	90.2	Very high	92.4	Very high	122 Å²	122	39.4 Å²	39.4	53%	0.53	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-55.2	120.5	175.1	-71.4	-179.1	168.5	-175.4	0	110	E227 V257 Q335	E227-K266 IonicContact OE1-NZ 3.09Å; E227-K266 PolarHBondContact OE1-NZ 2.68Å; E227-K266 IonicContact OE2-NZ 3.82Å; E227-K266 PolarHBondContact OE2-NZ 3.08Å; V257-K266 HydrophobicContact CG1-CB 4.26Å; V257-K266 HydrophobicContact CG1-CD 4.49Å; V257-K266 HydrophobicContact CG1-CG 4.14Å; V257-K266 HydrophobicContact CG2-CB 4.45Å; V257-K266 HydrophobicContact CG2-CD 4.06Å; V257-K266 HydrophobicContact CG2-CG 4.46Å; K266-Q335 PolarHBondContact O-NE2 3.09Å
267	L	93.2	Very high	92.3	Very high	29 Å²	29	41.9 Å²	41.9	15%	0.152	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-96	121.6	170.7	-178.6	69.6	0	0	0	108.3	S258 Y261 F263 G265 I269 W336	S258-L267 WeakPolarHBondContact CB-O 3.38Å; S258-L267 PolarHBondContact N-O 2.89Å; Y261-L267 HydrophobicContact CD2-CD2 4.26Å; Y261-L267 HydrophobicContact CG-CD2 4.21Å; F263-L267 HydrophobicContact CB-CB 4.33Å; G265-L267 PolarHBondContact O-N 2.89Å; G265-L267 VanDerWaalsContact O-N 3.14Å; L267-I269 HydrophobicContact CD2-CD1 4.42Å; L267-I269 HydrophobicContact CG-CG1 4.5Å; L267-W336 HydrophobicContact CD1-CH2 3.82Å; L267-W336 HydrophobicContact CD1-CZ2 3.81Å
268	L	96.1	Very high	92.2	Very high	51 Å²	51	43.2 Å²	43.2	27%	0.267	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	144.2	173.9	-61.9	-179.7	0	0	0	110.4	T255 E256 V257 N310 V311 Q335	T255-L268 HydrophobicContact CG2-CB 3.68Å; T255-L268 HydrophobicContact CG2-CD1 4.32Å; T255-L268 HydrophobicContact CG2-CD2 4.45Å; T255-L268 HydrophobicContact CG2-CG 4.37Å; E256-L268 CarbonylContact O-C 3.57Å; E256-L268 WeakPolarHBondContact O-CA 3.1Å; V257-L268 HydrophobicContact CG2-CD2 4Å; L268-N310 CarbonylContact C-O 3.57Å; L268-N310 WeakPolarHBondContact O-CB 3.39Å; L268-N310 PolarHBondContact O-ND2 3.36Å; L268-V311 HydrophobicContact CB-CG2 4.35Å; L268-V311 HydrophobicContact CD1-CG2 3.82Å; L268-Q335 HydrophobicContact CD1-CB 4.27Å
269	I	97.4	Very high	92.3	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.6	178.5	-70.1	-176.4	0	0	0	110.1	T255 E256 E260 Y261 L267 K297	T255-I269 WeakPolarHBondContact CA-O 3.35Å; E256-I269 PolarHBondContact N-O 3.32Å; E256-I269 PolarHBondContact O-N 2.96Å; E260-I269 WeakPolarHBondContact OE1-CD1 3.4Å; Y261-I269 HydrophobicContact CD2-CD1 3.5Å; Y261-I269 VanDerWaalsContact CD2-CD1 3.5Å; Y261-I269 HydrophobicContact CE2-CD1 3.72Å; L267-I269 HydrophobicContact CD2-CD1 4.42Å; L267-I269 HydrophobicContact CG-CG1 4.5Å; I269-K297 HydrophobicContact CG2-CB 4.41Å; I269-K297 HydrophobicContact CG2-CD 4.43Å; I269-K297 HydrophobicContact CG2-CG 3.82Å
270	P	98.4	Very high	92.6	Very high	5 Å²	5	44.3 Å²	44.3	3%	0.032	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135.8	168.4	-18.2	34.4	0	0	0	110.4	L298 N310 V312 F332	P270-L298 HydrophobicContact CB-CB 4.19Å; P270-L298 PolarHBondContact O-N 2.87Å; P270-N310 VanDerWaalsContact CD-O 3.29Å; P270-N310 WeakPolarHBondContact CD-O 3.22Å; P270-V312 HydrophobicContact CB-CB 4.18Å; P270-V312 HydrophobicContact CB-CG1 4.07Å; P270-F332 HydrophobicContact CB-CD1 4.29Å; P270-F332 HydrophobicContact CB-CE1 3.77Å; P270-F332 HydrophobicContact CG-CD1 3.91Å; P270-F332 HydrophobicContact CG-CE1 3.87Å
271	R	98.7	Very high	92.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	143.2	177.9	-63.8	-61.7	-165.3	-154.3	-8.5	110.4	F253 F254 E256 E260 A296	F253-R271 WeakPolarHBondContact CA-O 3.41Å; F254-R271 HydrophobicContact CD1-CB 4.32Å; F254-R271 HydrophobicContact CD2-CB 3.95Å; F254-R271 HydrophobicContact CD2-CG 4.11Å; F254-R271 HydrophobicContact CE1-CB 4.06Å; F254-R271 HydrophobicContact CE2-CB 3.67Å; F254-R271 HydrophobicContact CE2-CG 3.64Å; F254-R271 HydrophobicContact CG-CB 4.27Å; F254-R271 HydrophobicContact CZ-CB 3.73Å; F254-R271 HydrophobicContact CZ-CG 4.04Å; F254-R271 PolarHBondContact N-O 2.81Å; F254-R271 PolarHBondContact O-N 2.98Å; E256-R271 HydrophobicContact CG-CG 3.88Å; E256-R271 IonicContact OE1-CZ 3.3Å; E256-R271 VanDerWaalsContact OE1-CZ 3.32Å; E256-R271 IonicContact OE1-NE 3.54Å; E256-R271 PolarHBondContact OE1-NE 2.97Å; E256-R271 IonicContact OE1-NH2 3.79Å; E256-R271 PolarHBondContact OE1-NH2 2.8Å; E260-R271 VanDerWaalsContact CD-NH2 3.3Å; E260-R271 IonicContact OE1-CZ 2.85Å; E260-R271 VanDerWaalsContact OE1-CZ 3.27Å; E260-R271 IonicContact OE1-NH1 3.37Å; E260-R271 PolarHBondContact OE1-NH1 2.87Å; E260-R271 IonicContact OE1-NH2 3.55Å; E260-R271 PolarHBondContact OE1-NH2 3.4Å; E260-R271 IonicContact OE2-CZ 3.6Å; E260-R271 IonicContact OE2-NH1 3.93Å; E260-R271 IonicContact OE2-NH2 3.67Å; E260-R271 PolarHBondContact OE2-NH2 3.02Å; R271-A296 WeakPolarHBondContact CA-O 3.08Å; R271-A296 WeakPolarHBondContact CD-O 3.23Å
272	V	98.8	Very high	93.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.9	151.8	58.1	0	0	0	0	107.3	Y251 Y252 F253 K295 A296 L298 V352 F356 V423	Y251-V272 HydrophobicContact CD1-CG2 3.71Å; Y251-V272 HydrophobicContact CE1-CG2 4.29Å; Y252-V272 WeakPolarHBondContact O-CA 3.42Å; F253-V272 HydrophobicContact CD1-CB 4.1Å; F253-V272 HydrophobicContact CD1-CG2 4.15Å; F253-V272 HydrophobicContact CE1-CB 3.88Å; F253-V272 HydrophobicContact CE1-CG2 3.59Å; F253-V272 HydrophobicContact CZ-CG2 3.98Å; V272-K295 CarbonylContact O-C 3.51Å; V272-K295 WeakPolarHBondContact O-CA 3.24Å; V272-A296 HydrophobicContact CG1-CB 4.35Å; V272-A296 PolarHBondContact N-O 3.08Å; V272-A296 VanDerWaalsContact N-O 3.14Å; V272-A296 PolarHBondContact O-N 3.37Å; V272-L298 HydrophobicContact CG1-CD1 4.31Å; V272-V352 HydrophobicContact CG2-CG1 4.47Å; V272-F356 HydrophobicContact CG1-CE2 4.22Å; V272-F356 HydrophobicContact CG1-CZ 4.27Å; V272-F356 HydrophobicContact CG2-CE2 4.31Å; V272-F356 HydrophobicContact CG2-CZ 4.48Å; V272-V423 HydrophobicContact CG1-CB 4.43Å; V272-V423 HydrophobicContact CG1-CG2 3.85Å
273	A	98.8	Very high	94.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	161.6	172.9	0	0	0	0	0	110.2	Y251 Y252 F254 F293 L294 K295	Y251-A273 CarbonylContact C-O 3.58Å; Y251-A273 WeakPolarHBondContact CA-O 3.2Å; Y252-A273 PolarHBondContact N-O 3.43Å; Y252-A273 PolarHBondContact O-N 2.9Å; F254-A273 HydrophobicContact CE1-CB 3.71Å; F254-A273 HydrophobicContact CZ-CB 4.28Å; A273-F293 HydrophobicContact CB-CE2 3.92Å; A273-F293 HydrophobicContact CB-CZ 4.3Å; A273-L294 CarbonylContact C-O 3.53Å; A273-L294 WeakPolarHBondContact CA-O 3.29Å; A273-L294 WeakPolarHBondContact CB-O 3.38Å; A273-K295 HydrophobicContact CB-CB 3.75Å
274	R	97.9	Very high	95.1	Very high	9 Å²	9	41 Å²	41	3%	0.034	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158.2	174.4	75.6	177.5	-164.9	177.2	-4.2	113.3	K249 I250 Y251 F293 L294 E353 F356	K249-R274 VanDerWaalsContact CD-NH1 3.29Å; I250-R274 CarbonylContact O-C 3.54Å; I250-R274 WeakPolarHBondContact O-CA 3.42Å; Y251-R274 HydrophobicContact CD1-CB 3.99Å; Y251-R274 HydrophobicContact CE1-CB 3.79Å; Y251-R274 HydrophobicContact CE2-CB 4.4Å; Y251-R274 HydrophobicContact CG-CB 4.37Å; Y251-R274 WeakPolarHBondContact OH-CD 3.12Å; Y251-R274 PolarHBondContact OH-NH1 2.86Å; R274-F293 WeakPolarHBondContact O-CA 3.35Å; R274-L294 PolarHBondContact N-O 3.25Å; R274-L294 PolarHBondContact O-N 3.4Å; R274-E353 IonicContact CZ-OE2 3.02Å; R274-E353 IonicContact NH1-OE1 2.78Å; R274-E353 PolarHBondContact NH1-OE1 2.88Å; R274-E353 IonicContact NH1-OE2 2.69Å; R274-E353 PolarHBondContact NH1-OE2 3.2Å; R274-E353 IonicContact NH2-OE2 2.81Å; R274-F356 HydrophobicContact CG-CD1 3.99Å; R274-F356 HydrophobicContact CG-CD2 4.5Å; R274-F356 HydrophobicContact CG-CE1 3.99Å; R274-F356 HydrophobicContact CG-CE2 4.49Å; R274-F356 HydrophobicContact CG-CG 4.27Å; R274-F356 HydrophobicContact CG-CZ 4.25Å
275	V	98.6	Very high	96.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.2	164.3	-59.9	0	0	0	0	109.8	Y192 K249 I250 Y252 W290 F293	Y192-V275 HydrophobicContact CD1-CG2 4.5Å; Y192-V275 HydrophobicContact CE1-CG2 4.33Å; K249-V275 WeakPolarHBondContact CA-O 3.45Å; I250-V275 HydrophobicContact CB-CG2 3.91Å; I250-V275 HydrophobicContact CG1-CG2 4.29Å; I250-V275 PolarHBondContact N-O 2.81Å; I250-V275 PolarHBondContact O-N 2.85Å; Y252-V275 HydrophobicContact CE2-CG2 4.06Å; V275-W290 HydrophobicContact CB-CD2 4.13Å; V275-W290 HydrophobicContact CB-CE3 3.72Å; V275-W290 HydrophobicContact CB-CH2 4.43Å; V275-W290 HydrophobicContact CB-CZ3 3.88Å; V275-W290 HydrophobicContact CG1-CB 4.44Å; V275-W290 HydrophobicContact CG1-CD2 3.68Å; V275-W290 HydrophobicContact CG1-CE3 3.8Å; V275-W290 HydrophobicContact CG1-CG 3.94Å; V275-W290 HydrophobicContact CG1-CZ3 4.34Å; V275-W290 HydrophobicContact CG2-CE3 4.12Å; V275-W290 HydrophobicContact CG2-CH2 3.92Å; V275-W290 HydrophobicContact CG2-CZ2 4.3Å; V275-W290 HydrophobicContact CG2-CZ3 3.8Å; V275-F293 HydrophobicContact CG1-CB 4.1Å; V275-F293 HydrophobicContact CG1-CD2 4.02Å
276	C	97.4	Very high	96.8	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	137.2	173.5	-54.5	0	0	0	0	109.6	D247 G278 D279 S292 C389	D247-C276 WeakPolarHBondContact OD2-CB 3.27Å; C276-G278 PolarHBondContact O-N 3.42Å; C276-D279 WeakPolarHBondContact O-CB 3.29Å; C276-D279 PolarHBondContact O-N 3.12Å; C276-S292 PolarHBondContact N-OG 3.45Å; C276-S292 WeakPolarHBondContact SG-CB 3.3Å; C276-C389 HydrophobicContact CB-CB 3.78Å; C276-C389 WeakPolarHBondContact CB-SG 3.07Å; C276-C389 WeakPolarHBondContact SG-CA 3.47Å; C276-C389 WeakPolarHBondContact SG-CB 3.28Å; C276-C389 PolarHBondContact SG-N 3.28Å; C276-C389 VanDerWaalsContact SG-N 3.41Å; C276-C389 CovalentContact SG-SG 2.03Å; C276-C389 PolarHBondContact SG-SG 3.26Å
277	K	96.1	Very high	97.1	Very high	52 Å²	52	33.4 Å²	33.4	23%	0.226	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-45.1	-176	-179.9	-164.3	158.1	-166.6	0	111.7	V187 D188 Y192 R208 D247 D248 D279	V187-K277 HydrophobicContact CG1-CD 4.24Å; D188-K277 WeakPolarHBondContact OD2-CE 3.4Å; D188-K277 IonicContact OD2-NZ 4Å; D188-K277 PolarHBondContact OD2-NZ 2.83Å; Y192-K277 WeakPolarHBondContact OH-CA 3.29Å; Y192-K277 WeakPolarHBondContact OH-CG 3.44Å; Y192-K277 PolarHBondContact OH-O 3.05Å; Y192-K277 VanDerWaalsContact OH-O 3.07Å; R208-K277 PolarHBondContact NH1-O 2.91Å; D247-K277 PolarHBondContact OD2-N 3.1Å; D248-K277 HydrophobicContact CB-CB 3.85Å; D248-K277 HydrophobicContact CB-CD 3.76Å; D248-K277 HydrophobicContact CB-CG 4.41Å; D248-K277 VanDerWaalsContact O-CB 3.24Å; D248-K277 WeakPolarHBondContact O-CB 3.43Å; D248-K277 PolarHBondContact O-N 3.09Å; D248-K277 IonicContact OD2-NZ 3.41Å; K277-D279 VanDerWaalsContact C-N 3.25Å; K277-D279 PolarHBondContact O-N 3.03Å
278	G	94.6	Very high	97.3	Very high	42 Å²	42	39 Å²	39	43%	0.433	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	13.9	-179.7	0	0	0	0	0	115.6	D247 C276	D247-G278 PolarHBondContact OD1-N 2.87Å; D247-G278 WeakPolarHBondContact OD2-CA 3.48Å; D247-G278 PolarHBondContact OD2-N 3.46Å; C276-G278 PolarHBondContact O-N 3.42Å
279	D	97.2	Very high	97.4	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.021	19%	0.189	C	C	.	.			trans	-66.4	136.6	171.2	-163.4	-13.6	0	0	0	110.4	R208 L216 C276 K277 G281 W290 T291 S292 S402	R208-D279 PolarHBondContact NH1-O 3.37Å; R208-D279 PolarHBondContact NH2-O 3.07Å; L216-D279 HydrophobicContact CD2-CB 4Å; L216-D279 WeakPolarHBondContact CD2-O 3.19Å; C276-D279 WeakPolarHBondContact O-CB 3.29Å; C276-D279 PolarHBondContact O-N 3.12Å; K277-D279 VanDerWaalsContact C-N 3.25Å; K277-D279 PolarHBondContact O-N 3.03Å; D279-G281 PolarHBondContact OD1-N 2.66Å; D279-W290 HydrophobicContact CB-CE3 3.93Å; D279-W290 HydrophobicContact CB-CZ3 3.95Å; D279-T291 PolarHBondContact OD1-N 2.95Å; D279-T291 PolarHBondContact OD1-OG1 2.72Å; D279-T291 PolarHBondContact OD2-N 2.74Å; D279-T291 PolarHBondContact OD2-OG1 3.18Å; D279-T291 VanDerWaalsContact OD2-OG1 3.13Å; D279-S292 WeakPolarHBondContact OD2-CB 3.5Å; D279-S292 PolarHBondContact OD2-N 2.98Å; D279-S292 PolarHBondContact OD2-OG 2.92Å; D279-S402 WeakPolarHBondContact OD1-CB 3.39Å; D279-S402 PolarHBondContact OD1-OG 3.41Å
280	L	97	Very high	97.5	Very high	60 Å²	60	39 Å²	39	31%	0.314	19%	0.188	S	C	.	.			trans	-119.6	2.7	179.8	-57.9	178	0	0	0	112.1	Y213 S402 L403	Y213-L280 HydrophobicContact CD1-CD2 4.06Å; Y213-L280 HydrophobicContact CE1-CD2 4.04Å; L280-S402 WeakPolarHBondContact CA-OG 3.24Å; L280-S402 WeakPolarHBondContact CB-OG 3.39Å; L280-S402 PolarHBondContact N-OG 2.92Å; L280-L403 HydrophobicContact CB-CD1 4.36Å; L280-L403 HydrophobicContact CB-CD2 4.47Å; L280-L403 HydrophobicContact CB-CG 4.14Å; L280-L403 HydrophobicContact CD1-CD1 4.12Å
281	G	97.5	Very high	97.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.188	C	C	.	.			trans	82.2	-178.6	-164.5	0	0	0	0	0	112.5	D279 K289 S402 L403	D279-G281 PolarHBondContact OD1-N 2.66Å; G281-K289 VanDerWaalsContact CA-O 3.27Å; G281-K289 WeakPolarHBondContact CA-O 3.33Å; G281-S402 PolarHBondContact N-OG 3.3Å; G281-S402 CarbonylContact O-C 3.56Å; G281-S402 VanDerWaalsContact O-CB 3.31Å; G281-S402 WeakPolarHBondContact O-CB 3.33Å; G281-S402 PolarHBondContact O-OG 3.26Å; G281-L403 WeakPolarHBondContact O-CD2 3.38Å; G281-L403 PolarHBondContact O-N 3.49Å
282	G	97.3	Very high	97.4	Very high	4 Å²	4	39.2 Å²	39.2	4%	0.041	19%	0.189	C	C	.	.			trans	-100.6	157.8	174.9	0	0	0	0	0	112.8	T285 L286 Q287	G282-T285 CarbonylContact C-O 3.55Å; G282-T285 VanDerWaalsContact CA-O 3.29Å; G282-T285 WeakPolarHBondContact CA-O 3.37Å; G282-L286 PolarHBondContact N-O 2.88Å; G282-Q287 WeakPolarHBondContact O-CA 3.31Å
283	E	96	Very high	97.4	Very high	116 Å²	116	39.2 Å²	39.2	54%	0.542	19%	0.189	S	C	.	.	S	Bend	trans	-68.9	-35.8	-177.8	-174.3	-172.4	-167.6	0	0	112.8	Q287 L403	E283-Q287 WeakPolarHBondContact O-CG 3.48Å; E283-Q287 PolarHBondContact O-NE2 2.83Å; E283-L403 WeakPolarHBondContact CB-O 3.4Å
284	R	95.8	Very high	97.5	Very high	168 Å²	168	39.2 Å²	39.2	63%	0.634	19%	0.189	S	C	*	.	S	Bend	trans	-127.9	-64.4	-175	-59.7	174.5	-172.5	158.1	0.6	111.6	D407	R284-D407 IonicContact NH1-OD2 3.3Å; R284-D407 PolarHBondContact NH1-OD2 2.91Å
285	T	97.3	Very high	97.5	Very high	25 Å²	25	38.8 Å²	38.8	15%	0.153	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	141.1	166.4	-55	0	0	0	0	109.1	G282 Q287 D407 L410	G282-T285 CarbonylContact C-O 3.55Å; G282-T285 VanDerWaalsContact CA-O 3.29Å; G282-T285 WeakPolarHBondContact CA-O 3.37Å; T285-Q287 VanDerWaalsContact C-N 3.35Å; T285-Q287 PolarHBondContact O-N 2.88Å; T285-D407 WeakPolarHBondContact CB-OD1 3.5Å; T285-D407 PolarHBondContact N-OD1 3.36Å; T285-D407 PolarHBondContact OG1-OD1 3.01Å; T285-L410 HydrophobicContact CG2-CB 3.77Å
286	L	97.8	Very high	97.5	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.037	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	36	179.4	-65.6	165.5	0	0	0	115	E219 W224 G282 K288 K289 T291 L410 V413 R414	E219-L286 HydrophobicContact CG-CD2 4.06Å; W224-L286 HydrophobicContact CH2-CD2 4.02Å; W224-L286 HydrophobicContact CZ2-CD2 3.91Å; G282-L286 PolarHBondContact N-O 2.88Å; L286-K288 PolarHBondContact O-N 3.34Å; L286-K289 HydrophobicContact CB-CB 4.24Å; L286-K289 HydrophobicContact CD2-CB 3.78Å; L286-K289 HydrophobicContact CD2-CD 4.34Å; L286-K289 PolarHBondContact O-N 2.99Å; L286-K289 VanDerWaalsContact O-O 3.04Å; L286-T291 HydrophobicContact CB-CG2 4.4Å; L286-L410 HydrophobicContact CD1-CB 4.33Å; L286-L410 HydrophobicContact CD1-CD2 4.44Å; L286-L410 WeakPolarHBondContact CD1-O 3.31Å; L286-V413 HydrophobicContact CD1-CG1 3.76Å; L286-R414 HydrophobicContact CD1-CB 4.17Å; L286-R414 HydrophobicContact CD2-CB 4.18Å; L286-R414 HydrophobicContact CD2-CG 3.94Å; L286-R414 HydrophobicContact CG-CB 4.3Å; L286-R414 HydrophobicContact CG-CG 4.48Å
287	Q	97.7	Very high	97.5	Very high	122 Å²	122	40.9 Å²	40.9	57%	0.57	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	126.9	168.5	-75.5	176.8	-9.3	0	0	111.2	G282 E283 T285 K289	G282-Q287 WeakPolarHBondContact O-CA 3.31Å; E283-Q287 WeakPolarHBondContact O-CG 3.48Å; E283-Q287 PolarHBondContact O-NE2 2.83Å; T285-Q287 VanDerWaalsContact C-N 3.35Å; T285-Q287 PolarHBondContact O-N 2.88Å; Q287-K289 PolarHBondContact O-N 2.9Å; Q287-K289 VanDerWaalsContact O-N 3.16Å
288	K	96.8	Very high	97.6	Very high	145 Å²	145	38.6 Å²	38.6	63%	0.63	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	22.3	-175.3	-54.4	176.9	-176.4	173.2	0	113.9	L216 R217 L286	L216-K288 VanDerWaalsContact CD1-C 3.48Å; R217-K288 PolarHBondContact N-O 2.97Å; L286-K288 PolarHBondContact O-N 3.34Å
289	K	98.4	Very high	97.8	Very high	57 Å²	57	37.5 Å²	37.5	25%	0.248	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-130.4	148.5	178.4	-58.8	177.9	-159.3	176.8	0	112	L216 R217 E219 G281 L286 Q287 T291	L216-K289 WeakPolarHBondContact CD1-O 3.32Å; R217-K289 CarbonylContact O-C 3.54Å; R217-K289 WeakPolarHBondContact O-CA 3.41Å; R217-K289 WeakPolarHBondContact O-CB 3.42Å; E219-K289 HydrophobicContact CG-CD 3.9Å; E219-K289 WeakPolarHBondContact OE1-CD 3.24Å; E219-K289 IonicContact OE1-NZ 3.18Å; E219-K289 PolarHBondContact OE1-NZ 3.26Å; E219-K289 WeakPolarHBondContact OE2-CD 3.39Å; E219-K289 WeakPolarHBondContact OE2-CE 3.22Å; E219-K289 IonicContact OE2-NZ 2.97Å; E219-K289 PolarHBondContact OE2-NZ 2.81Å; G281-K289 VanDerWaalsContact CA-O 3.27Å; G281-K289 WeakPolarHBondContact CA-O 3.33Å; L286-K289 HydrophobicContact CB-CB 4.24Å; L286-K289 HydrophobicContact CD2-CB 3.78Å; L286-K289 HydrophobicContact CD2-CD 4.34Å; L286-K289 PolarHBondContact O-N 2.99Å; L286-K289 VanDerWaalsContact O-O 3.04Å; Q287-K289 PolarHBondContact O-N 2.9Å; Q287-K289 VanDerWaalsContact O-N 3.16Å; K289-T291 PolarHBondContact O-N 3.01Å
290	W	98.6	Very high	97.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.			trans	-55.1	132.5	-175.9	-62.1	110.3	0	0	0	112.6	Y192 I206 R208 L216 R217 W224 V275 D279 F293	Y192-W290 HydrophobicContact CD1-CH2 4.12Å; Y192-W290 AromaticContact CE1-CH2 3.68Å; Y192-W290 HydrophobicContact CE1-CH2 3.68Å; Y192-W290 HydrophobicContact CE1-CZ2 4.5Å; Y192-W290 HydrophobicContact CE1-CZ3 4.43Å; I206-W290 PolarHBondContact O-NE1 3.25Å; I206-W290 VanDerWaalsContact O-NE1 3.09Å; R208-W290 HydrophobicContact CB-CH2 3.56Å; R208-W290 HydrophobicContact CB-CZ2 3.76Å; L216-W290 HydrophobicContact CB-CH2 4.33Å; L216-W290 HydrophobicContact CB-CZ2 4.32Å; L216-W290 HydrophobicContact CD2-CD2 4.08Å; L216-W290 HydrophobicContact CD2-CE3 3.46Å; L216-W290 VanDerWaalsContact CD2-CE3 3.46Å; L216-W290 HydrophobicContact CD2-CH2 3.87Å; L216-W290 HydrophobicContact CD2-CZ2 4.47Å; L216-W290 HydrophobicContact CD2-CZ3 3.35Å; L216-W290 HydrophobicContact CG-CD2 3.81Å; L216-W290 HydrophobicContact CG-CE3 3.74Å; L216-W290 HydrophobicContact CG-CG 4.45Å; L216-W290 HydrophobicContact CG-CH2 4.09Å; L216-W290 HydrophobicContact CG-CZ2 4.2Å; L216-W290 HydrophobicContact CG-CZ3 3.9Å; R217-W290 VanDerWaalsContact O-CD1 3.3Å; R217-W290 PolarHBondContact O-N 2.79Å; R217-W290 VanDerWaalsContact O-N 3.1Å; W224-W290 HydrophobicContact CH2-CB 4.33Å; W224-W290 WeakPolarHBondContact CH2-O 3.33Å; W224-W290 HydrophobicContact CZ3-CB 4.1Å; V275-W290 HydrophobicContact CB-CD2 4.13Å; V275-W290 HydrophobicContact CB-CE3 3.72Å; V275-W290 HydrophobicContact CB-CH2 4.43Å; V275-W290 HydrophobicContact CB-CZ3 3.88Å; V275-W290 HydrophobicContact CG1-CB 4.44Å; V275-W290 HydrophobicContact CG1-CD2 3.68Å; V275-W290 HydrophobicContact CG1-CE3 3.8Å; V275-W290 HydrophobicContact CG1-CG 3.94Å; V275-W290 HydrophobicContact CG1-CZ3 4.34Å; V275-W290 HydrophobicContact CG2-CE3 4.12Å; V275-W290 HydrophobicContact CG2-CH2 3.92Å; V275-W290 HydrophobicContact CG2-CZ2 4.3Å; V275-W290 HydrophobicContact CG2-CZ3 3.8Å; D279-W290 HydrophobicContact CB-CE3 3.93Å; D279-W290 HydrophobicContact CB-CZ3 3.95Å; W290-F293 HydrophobicContact CB-CB 3.7Å; W290-F293 HydrophobicContact CG-CB 4.31Å
291	T	98.6	Very high	97.6	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.043	16%	0.162	C	C	.	.	S	Bend	trans	-96	-15.4	169.3	67.6	0	0	0	0	112.1	D279 L286 K289 S402 L410	D279-T291 PolarHBondContact OD1-N 2.95Å; D279-T291 PolarHBondContact OD1-OG1 2.72Å; D279-T291 PolarHBondContact OD2-N 2.74Å; D279-T291 PolarHBondContact OD2-OG1 3.18Å; D279-T291 VanDerWaalsContact OD2-OG1 3.13Å; L286-T291 HydrophobicContact CB-CG2 4.4Å; K289-T291 PolarHBondContact O-N 3.01Å; T291-S402 VanDerWaalsContact OG1-CB 3.29Å; T291-S402 WeakPolarHBondContact OG1-CB 3.41Å; T291-L410 HydrophobicContact CG2-CD2 3.42Å; T291-L410 VanDerWaalsContact CG2-CD2 3.42Å
292	S	98.4	Very high	97.3	Very high	1 Å²	1	36 Å²	36	1%	0.007	16%	0.164	C	C	.	.	S	Bend	trans	-103.3	-4	-176.2	57.2	0	0	0	0	115.2	C276 D279 L294	C276-S292 PolarHBondContact N-OG 3.45Å; C276-S292 WeakPolarHBondContact SG-CB 3.3Å; D279-S292 WeakPolarHBondContact OD2-CB 3.5Å; D279-S292 PolarHBondContact OD2-N 2.98Å; D279-S292 PolarHBondContact OD2-OG 2.92Å; S292-L294 PolarHBondContact O-N 2.92Å
293	F	98.8	Very high	96.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.			trans	-67.6	118.4	-176.2	-179.3	-96.9	0	0	0	112	I206 T218 W224 L225 A273 R274 V275 W290 K295 P417	I206-F293 HydrophobicContact CD1-CE2 3.9Å; T218-F293 HydrophobicContact CG2-CD2 4.18Å; T218-F293 HydrophobicContact CG2-CE2 4.22Å; T218-F293 HydrophobicContact CG2-CG 4.48Å; W224-F293 HydrophobicContact CB-CE1 4.23Å; W224-F293 AromaticContact CD2-CD1 3.88Å; W224-F293 HydrophobicContact CD2-CD1 3.88Å; W224-F293 HydrophobicContact CD2-CE1 4.21Å; W224-F293 HydrophobicContact CE3-CB 4.14Å; W224-F293 AromaticContact CE3-CD1 3.31Å; W224-F293 HydrophobicContact CE3-CD1 3.31Å; W224-F293 AromaticContact CE3-CE1 3.82Å; W224-F293 HydrophobicContact CE3-CE1 3.82Å; W224-F293 AromaticContact CE3-CG 3.79Å; W224-F293 HydrophobicContact CE3-CG 3.79Å; W224-F293 HydrophobicContact CG-CE1 4.41Å; W224-F293 HydrophobicContact CH2-CB 4.21Å; W224-F293 HydrophobicContact CZ3-CB 3.61Å; W224-F293 AromaticContact CZ3-CD1 3.71Å; W224-F293 HydrophobicContact CZ3-CD1 3.71Å; W224-F293 AromaticContact CZ3-CG 3.78Å; W224-F293 HydrophobicContact CZ3-CG 3.78Å; L225-F293 HydrophobicContact CD2-CZ 4.31Å; A273-F293 HydrophobicContact CB-CE2 3.92Å; A273-F293 HydrophobicContact CB-CZ 4.3Å; R274-F293 WeakPolarHBondContact O-CA 3.35Å; V275-F293 HydrophobicContact CG1-CB 4.1Å; V275-F293 HydrophobicContact CG1-CD2 4.02Å; W290-F293 HydrophobicContact CB-CB 3.7Å; W290-F293 HydrophobicContact CG-CB 4.31Å; F293-K295 HydrophobicContact CZ-CB 4.48Å; F293-K295 HydrophobicContact CZ-CD 4.5Å; F293-P417 HydrophobicContact CD1-CB 3.93Å; F293-P417 HydrophobicContact CE1-CB 4.04Å
294	L	98.8	Very high	96.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.5	168.5	-67.7	176.3	0	0	0	109.7	A273 R274 S292 F356 Y361 V413 P417	A273-L294 CarbonylContact C-O 3.53Å; A273-L294 WeakPolarHBondContact CA-O 3.29Å; A273-L294 WeakPolarHBondContact CB-O 3.38Å; R274-L294 PolarHBondContact N-O 3.25Å; R274-L294 PolarHBondContact O-N 3.4Å; S292-L294 PolarHBondContact O-N 2.92Å; L294-F356 HydrophobicContact CB-CD1 3.76Å; L294-F356 HydrophobicContact CB-CE1 3.77Å; L294-F356 HydrophobicContact CD1-CD1 4.29Å; L294-F356 WeakPolarHBondContact O-CE1 3.3Å; L294-Y361 HydrophobicContact CD1-CE1 4.41Å; L294-Y361 HydrophobicContact CD2-CD1 4.37Å; L294-Y361 HydrophobicContact CD2-CE1 3.87Å; L294-V413 HydrophobicContact CD2-CG2 4.07Å; L294-P417 CarbonylContact C-O 3.52Å; L294-P417 WeakPolarHBondContact CA-O 3.48Å
295	K	98.8	Very high	95.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.8	171.3	68.4	-178.7	177.9	-175.7	0	112.3	S223 W224 F254 E256 V272 A273 F293 P417 L418 L419	S223-K295 VanDerWaalsContact O-CE 3.29Å; S223-K295 WeakPolarHBondContact O-CE 3.39Å; S223-K295 PolarHBondContact O-NZ 3.41Å; S223-K295 VanDerWaalsContact O-NZ 3.16Å; W224-K295 WeakPolarHBondContact O-CE 3.26Å; W224-K295 PolarHBondContact O-NZ 2.97Å; F254-K295 HydrophobicContact CZ-CD 4.21Å; E256-K295 VanDerWaalsContact OE1-CE 3.27Å; E256-K295 WeakPolarHBondContact OE1-CE 3.14Å; E256-K295 IonicContact OE1-NZ 3.43Å; E256-K295 PolarHBondContact OE1-NZ 2.61Å; E256-K295 IonicContact OE2-NZ 2.75Å; E256-K295 PolarHBondContact OE2-NZ 3.35Å; V272-K295 CarbonylContact O-C 3.51Å; V272-K295 WeakPolarHBondContact O-CA 3.24Å; A273-K295 HydrophobicContact CB-CB 3.75Å; F293-K295 HydrophobicContact CZ-CB 4.48Å; F293-K295 HydrophobicContact CZ-CD 4.5Å; K295-P417 PolarHBondContact N-O 2.56Å; K295-L418 HydrophobicContact CG-CB 4.49Å; K295-L418 HydrophobicContact CG-CD1 3.99Å; K295-L419 PolarHBondContact O-N 2.8Å
296	A	98.7	Very high	94.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	155.7	174.7	0	0	0	0	0	110.5	R271 V272 V355 F356 L419 V423	R271-A296 WeakPolarHBondContact CA-O 3.08Å; R271-A296 WeakPolarHBondContact CD-O 3.23Å; V272-A296 HydrophobicContact CG1-CB 4.35Å; V272-A296 PolarHBondContact N-O 3.08Å; V272-A296 VanDerWaalsContact N-O 3.14Å; V272-A296 PolarHBondContact O-N 3.37Å; A296-V355 HydrophobicContact CB-CG1 3.8Å; A296-F356 HydrophobicContact CB-CZ 4.33Å; A296-L419 HydrophobicContact CB-CB 4.26Å; A296-L419 HydrophobicContact CB-CD1 4.39Å; A296-V423 HydrophobicContact CB-CG2 4.23Å
297	K	98.4	Very high	94.4	Very high	49 Å²	49	39.6 Å²	39.6	21%	0.213	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	128.8	170.6	-178.2	175.8	-173.3	-175	0	109.8	Y261 I269 V299 P422 V423	Y261-K297 HydrophobicContact CE2-CD 4.32Å; Y261-K297 PolarHBondContact OH-NZ 2.89Å; I269-K297 HydrophobicContact CG2-CB 4.41Å; I269-K297 HydrophobicContact CG2-CD 4.43Å; I269-K297 HydrophobicContact CG2-CG 3.82Å; K297-V299 HydrophobicContact CD-CG2 4.09Å; K297-V299 HydrophobicContact CG-CG2 3.95Å; K297-P422 HydrophobicContact CB-CB 4.22Å; K297-V423 PolarHBondContact O-N 2.83Å
298	L	98	Very high	94	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-101.3	116.9	172.1	-171.4	67.3	0	0	0	108.2	F253 P270 V272 F332 Y347 V423	F253-L298 HydrophobicContact CD1-CD2 4.07Å; F253-L298 HydrophobicContact CE1-CD2 4.37Å; P270-L298 HydrophobicContact CB-CB 4.19Å; P270-L298 PolarHBondContact O-N 2.87Å; V272-L298 HydrophobicContact CG1-CD1 4.31Å; L298-F332 HydrophobicContact CD2-CE1 4.25Å; L298-F332 HydrophobicContact CD2-CZ 3.87Å; L298-F332 HydrophobicContact CG-CZ 4.22Å; L298-Y347 HydrophobicContact CD1-CD1 3.62Å; L298-Y347 HydrophobicContact CD1-CD2 3.9Å; L298-Y347 HydrophobicContact CD1-CE1 3.48Å; L298-Y347 VanDerWaalsContact CD1-CE1 3.48Å; L298-Y347 HydrophobicContact CD1-CE2 3.78Å; L298-Y347 HydrophobicContact CD1-CG 3.84Å; L298-Y347 HydrophobicContact CD2-CE2 4.14Å; L298-Y347 HydrophobicContact CG-CE1 4.06Å; L298-Y347 HydrophobicContact CG-CE2 3.97Å; L298-V423 HydrophobicContact CD1-CB 3.9Å; L298-V423 HydrophobicContact CD1-CG1 3.67Å
299	V	97.7	Very high	93.9	Very high	20 Å²	20	29.7 Å²	29.7	12%	0.121	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-100.2	128.4	-170	177.3	0	0	0	0	111	K297 S301 Y347 P422 V423 L424 P425	K297-V299 HydrophobicContact CD-CG2 4.09Å; K297-V299 HydrophobicContact CG-CG2 3.95Å; V299-S301 WeakPolarHBondContact CG1-OG 3.46Å; V299-Y347 VanDerWaalsContact C-OH 3.29Å; V299-Y347 VanDerWaalsContact O-CE1 3.3Å; V299-Y347 WeakPolarHBondContact O-CE1 3.4Å; V299-Y347 PolarHBondContact O-OH 2.76Å; V299-P422 HydrophobicContact CG2-CB 3.71Å; V299-V423 PolarHBondContact N-O 2.64Å; V299-L424 HydrophobicContact CB-CD2 3.97Å; V299-L424 HydrophobicContact CG1-CD2 4.19Å; V299-L424 HydrophobicContact CG2-CD2 4.06Å; V299-P425 WeakPolarHBondContact O-CD 3.46Å
300	C	97.1	Very high	93.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	15%	0.146	C	C	.	.			trans	-132.7	116.2	164.2	-164.8	0	0	0	0	108.4	F309 F332 C345	C300-F309 HydrophobicContact CB-CB 4.24Å; C300-F309 PolarHBondContact O-N 2.9Å; C300-F332 HydrophobicContact CB-CB 4.22Å; C300-F332 HydrophobicContact CB-CD1 3.9Å; C300-F332 HydrophobicContact CB-CD2 3.75Å; C300-F332 HydrophobicContact CB-CE1 4.15Å; C300-F332 HydrophobicContact CB-CE2 4.03Å; C300-F332 HydrophobicContact CB-CG 3.7Å; C300-F332 HydrophobicContact CB-CZ 4.22Å; C300-C345 WeakPolarHBondContact CA-SG 3.14Å; C300-C345 HydrophobicContact CB-CB 3.84Å; C300-C345 WeakPolarHBondContact CB-SG 3.31Å; C300-C345 WeakPolarHBondContact SG-CB 3.35Å; C300-C345 CovalentContact SG-SG 2.04Å; C300-C345 PolarHBondContact SG-SG 2.96Å
301	S	93.8	Very high	93.7	Very high	21 Å²	21	28.3 Å²	28.3	15%	0.147	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	155.4	-169.6	53	0	0	0	0	111.6	V299 P303 F307 P430	V299-S301 WeakPolarHBondContact CG1-OG 3.46Å; S301-P303 WeakPolarHBondContact O-CD 3.45Å; S301-F307 CarbonylContact C-O 3.53Å; S301-F307 WeakPolarHBondContact CA-O 3.39Å; S301-F307 WeakPolarHBondContact CB-O 3.2Å; S301-P430 WeakPolarHBondContact O-CD 3.18Å
302	M	89.7	Confident	93.7	Very high	9 Å²	9	28.1 Å²	28.1	4%	0.044	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	100.6	163.9	-66.5	178.5	-74	0	0	108.4	V37 E304 L305 N306 F307 F309 I433	V37-M302 HydrophobicContact CG1-CE 3.77Å; V37-M302 HydrophobicContact CG2-CE 4.38Å; M302-E304 PolarHBondContact O-N 3.05Å; M302-L305 HydrophobicContact CB-CB 4.27Å; M302-L305 HydrophobicContact CE-CD1 4.15Å; M302-L305 PolarHBondContact O-N 2.87Å; M302-L305 HydrophobicContact SD-CD1 3.88Å; M302-N306 PolarHBondContact O-N 3.1Å; M302-N306 VanDerWaalsContact O-N 3.09Å; M302-F307 HydrophobicContact CB-CB 4.41Å; M302-F307 HydrophobicContact CE-CB 3.7Å; M302-F307 HydrophobicContact CE-CD1 3.6Å; M302-F307 HydrophobicContact CE-CE1 4.45Å; M302-F307 HydrophobicContact CE-CG 3.77Å; M302-F307 PolarHBondContact N-O 3.41Å; M302-F307 PolarHBondContact O-N 2.95Å; M302-F307 VanDerWaalsContact O-N 3.11Å; M302-F309 HydrophobicContact CE-CE2 4.09Å; M302-F309 HydrophobicContact CE-CZ 3.96Å; M302-F309 HydrophobicContact CG-CE2 4.28Å; M302-I433 HydrophobicContact CE-CD1 4.37Å; M302-I433 HydrophobicContact CG-CD1 3.52Å; M302-I433 HydrophobicContact SD-CD1 3.31Å; M302-I433 WeakPolarHBondContact SD-CD1 3.43Å
303	P	85.5	Confident	93.6	Very high	66 Å²	66	31.7 Å²	31.7	43%	0.429	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35	-179.1	-23.8	35.2	0	0	0	113	S301 L305 N306	S301-P303 WeakPolarHBondContact O-CD 3.45Å; P303-L305 VanDerWaalsContact C-N 3.3Å; P303-L305 PolarHBondContact O-N 3.2Å; P303-N306 PolarHBondContact O-N 2.87Å
304	E	85.1	Confident	93.6	Very high	139 Å²	139	32.3 Å²	32.3	65%	0.65	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-34.5	-176.6	-52.8	73.3	-159.3	0	0	111.9	M302	M302-E304 PolarHBondContact O-N 3.05Å
305	L	82.6	Confident	93.6	Very high	50 Å²	50	32.5 Å²	32.5	26%	0.262	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	6.7	179.9	-56.4	-178.2	0	0	0	112.6	V37 M302 P303 F307	V37-L305 HydrophobicContact CG2-CB 4.12Å; V37-L305 HydrophobicContact CG2-CD1 3.95Å; M302-L305 HydrophobicContact CB-CB 4.27Å; M302-L305 HydrophobicContact CE-CD1 4.15Å; M302-L305 PolarHBondContact O-N 2.87Å; M302-L305 HydrophobicContact SD-CD1 3.88Å; P303-L305 VanDerWaalsContact C-N 3.3Å; P303-L305 PolarHBondContact O-N 3.2Å; L305-F307 HydrophobicContact CB-CB 4.38Å; L305-F307 PolarHBondContact O-N 3.01Å
306	N	83.7	Confident	93.6	Very high	129 Å²	129	34.9 Å²	34.9	69%	0.69	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	29.2	-173.5	-63.9	-80.5	0	0	0	114.2	M302 P303	M302-N306 PolarHBondContact O-N 3.1Å; M302-N306 VanDerWaalsContact O-N 3.09Å; P303-N306 PolarHBondContact O-N 2.87Å
307	F	87	Confident	93.5	Very high	12 Å²	12	35.4 Å²	35.4	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	140.4	-173	-170.7	-86.6	0	0	0	111.4	L34 V37 S301 M302 L305 F309 L341	L34-F307 HydrophobicContact CD2-CE2 4.15Å; V37-F307 HydrophobicContact CG2-CB 4.24Å; V37-F307 HydrophobicContact CG2-CD2 3.88Å; V37-F307 HydrophobicContact CG2-CG 4.23Å; S301-F307 CarbonylContact C-O 3.53Å; S301-F307 WeakPolarHBondContact CA-O 3.39Å; S301-F307 WeakPolarHBondContact CB-O 3.2Å; M302-F307 HydrophobicContact CB-CB 4.41Å; M302-F307 HydrophobicContact CE-CB 3.7Å; M302-F307 HydrophobicContact CE-CD1 3.6Å; M302-F307 HydrophobicContact CE-CE1 4.45Å; M302-F307 HydrophobicContact CE-CG 3.77Å; M302-F307 PolarHBondContact N-O 3.41Å; M302-F307 PolarHBondContact O-N 2.95Å; M302-F307 VanDerWaalsContact O-N 3.11Å; L305-F307 HydrophobicContact CB-CB 4.38Å; L305-F307 PolarHBondContact O-N 3.01Å; F307-F309 HydrophobicContact CD1-CD2 4.2Å; F307-F309 HydrophobicContact CD1-CE1 4.24Å; F307-F309 AromaticContact CD1-CE2 3.77Å; F307-F309 HydrophobicContact CD1-CE2 3.77Å; F307-F309 AromaticContact CD1-CZ 3.79Å; F307-F309 HydrophobicContact CD1-CZ 3.79Å; F307-F309 AromaticContact CE1-CD1 3.97Å; F307-F309 HydrophobicContact CE1-CD1 3.97Å; F307-F309 HydrophobicContact CE1-CD2 4.33Å; F307-F309 AromaticContact CE1-CE1 3.66Å; F307-F309 HydrophobicContact CE1-CE1 3.66Å; F307-F309 HydrophobicContact CE1-CE2 4.04Å; F307-F309 HydrophobicContact CE1-CG 4.28Å; F307-F309 AromaticContact CE1-CZ 3.68Å; F307-F309 HydrophobicContact CE1-CZ 3.68Å; F307-L341 HydrophobicContact CE1-CD1 4.1Å; F307-L341 HydrophobicContact CE2-CD1 4.04Å; F307-L341 HydrophobicContact CZ-CD1 3.59Å
308	V	90.4	Very high	93.5	Very high	59 Å²	59	33.7 Å²	33.7	36%	0.358	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	132.5	-174.7	-168.8	0	0	0	0	111.6	N310 S334	V308-N310 HydrophobicContact CG1-CB 4.01Å; V308-S334 PolarHBondContact O-OG 3.4Å
309	F	94.8	Very high	93.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.			trans	-97.6	92.1	170	-53.3	-95.3	0	0	0	107.7	C300 M302 F307 F332 T333 L341 A343 P430 I433	C300-F309 HydrophobicContact CB-CB 4.24Å; C300-F309 PolarHBondContact O-N 2.9Å; M302-F309 HydrophobicContact CE-CE2 4.09Å; M302-F309 HydrophobicContact CE-CZ 3.96Å; M302-F309 HydrophobicContact CG-CE2 4.28Å; F307-F309 HydrophobicContact CD1-CD2 4.2Å; F307-F309 HydrophobicContact CD1-CE1 4.24Å; F307-F309 AromaticContact CD1-CE2 3.77Å; F307-F309 HydrophobicContact CD1-CE2 3.77Å; F307-F309 AromaticContact CD1-CZ 3.79Å; F307-F309 HydrophobicContact CD1-CZ 3.79Å; F307-F309 AromaticContact CE1-CD1 3.97Å; F307-F309 HydrophobicContact CE1-CD1 3.97Å; F307-F309 HydrophobicContact CE1-CD2 4.33Å; F307-F309 AromaticContact CE1-CE1 3.66Å; F307-F309 HydrophobicContact CE1-CE1 3.66Å; F307-F309 HydrophobicContact CE1-CE2 4.04Å; F307-F309 HydrophobicContact CE1-CG 4.28Å; F307-F309 AromaticContact CE1-CZ 3.68Å; F307-F309 HydrophobicContact CE1-CZ 3.68Å; F309-F332 HydrophobicContact CB-CB 3.52Å; F309-T333 CarbonylContact C-O 3.56Å; F309-T333 VanDerWaalsContact C-O 3.25Å; F309-T333 VanDerWaalsContact CA-O 3.31Å; F309-T333 WeakPolarHBondContact CA-O 3.31Å; F309-L341 HydrophobicContact CE1-CB 4.07Å; F309-A343 HydrophobicContact CB-CB 4.43Å; F309-A343 HydrophobicContact CD1-CB 3.58Å; F309-A343 HydrophobicContact CD2-CB 3.69Å; F309-A343 HydrophobicContact CE1-CB 3.57Å; F309-A343 HydrophobicContact CE2-CB 3.7Å; F309-A343 HydrophobicContact CG-CB 3.64Å; F309-A343 HydrophobicContact CZ-CB 3.65Å; F309-P430 HydrophobicContact CE2-CG 4.19Å; F309-I433 HydrophobicContact CE2-CD1 4.42Å; F309-I433 HydrophobicContact CZ-CD1 4.38Å; F309-I433 HydrophobicContact CZ-CG2 3.94Å
310	N	95	Very high	92.8	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.032	21%	0.206	C	C	.	.			trans	-106.2	14.9	-166.1	75.5	-52.9	0	0	0	114.5	L268 P270 V308 T333 Q335	L268-N310 CarbonylContact C-O 3.57Å; L268-N310 WeakPolarHBondContact O-CB 3.39Å; L268-N310 PolarHBondContact O-ND2 3.36Å; P270-N310 VanDerWaalsContact CD-O 3.29Å; P270-N310 WeakPolarHBondContact CD-O 3.22Å; V308-N310 HydrophobicContact CG1-CB 4.01Å; N310-T333 PolarHBondContact N-O 2.92Å; N310-Q335 VanDerWaalsContact ND2-CD 3.32Å; N310-Q335 WeakPolarHBondContact ND2-CG 3.43Å; N310-Q335 PolarHBondContact ND2-OE1 3.42Å; N310-Q335 WeakPolarHBondContact OD1-CB 3.48Å; N310-Q335 WeakPolarHBondContact OD1-CG 3.32Å; N310-Q335 PolarHBondContact OD1-N 3.38Å
311	V	96.9	Very high	92.2	Very high	22 Å²	22	51 Å²	51	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.3	170.4	-178.2	0	0	0	0	107.7	T255 L268 F332 T333 Q335	T255-V311 HydrophobicContact CG2-CG1 4.43Å; T255-V311 HydrophobicContact CG2-CG2 4.49Å; L268-V311 HydrophobicContact CB-CG2 4.35Å; L268-V311 HydrophobicContact CD1-CG2 3.82Å; V311-F332 CarbonylContact O-C 3.6Å; V311-F332 WeakPolarHBondContact O-CA 3.08Å; V311-T333 PolarHBondContact N-O 3.16Å; V311-T333 PolarHBondContact O-N 2.99Å; V311-Q335 HydrophobicContact CG2-CB 3.89Å
312	V	98.2	Very high	91.7	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.2	170	63.4	0	0	0	0	109.9	V231 T255 P270 V315 V331 F332	V231-V312 HydrophobicContact CG2-CG1 3.94Å; V231-V312 WeakPolarHBondContact CG2-O 3.36Å; T255-V312 VanDerWaalsContact OG1-CG1 3.29Å; T255-V312 WeakPolarHBondContact OG1-CG1 3.26Å; T255-V312 PolarHBondContact OG1-N 3.13Å; T255-V312 PolarHBondContact OG1-O 2.74Å; P270-V312 HydrophobicContact CB-CB 4.18Å; P270-V312 HydrophobicContact CB-CG1 4.07Å; V312-V315 HydrophobicContact CG2-CG2 3.7Å; V312-V331 WeakPolarHBondContact CA-O 3.18Å; V312-V331 WeakPolarHBondContact CG2-O 3.24Å; V312-F332 HydrophobicContact CB-CD1 3.82Å; V312-F332 HydrophobicContact CB-CE1 3.73Å; V312-F332 HydrophobicContact CB-CZ 4.45Å; V312-F332 HydrophobicContact CG2-CD1 4.21Å; V312-F332 HydrophobicContact CG2-CE1 3.93Å; V312-F332 HydrophobicContact CG2-CZ 4.15Å
313	H	97.2	Very high	91.5	Very high	75 Å²	75	53.2 Å²	53.2	35%	0.347	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	-36.8	177.6	-67.5	-74.9	0	0	0	113.3	V231 V331 T333	V231-H313 VanDerWaalsContact CG1-O 3.31Å; V231-H313 WeakPolarHBondContact CG1-O 3.35Å; H313-V331 HydrophobicContact CB-CG1 4.29Å; H313-V331 PolarHBondContact N-O 2.86Å; H313-T333 WeakPolarHBondContact NE2-CG2 3.34Å; H313-T333 PolarHBondContact NE2-OG1 3.1Å
314	D	98.5	Very high	91.5	Very high	14 Å²	14	54.4 Å²	54.4	8%	0.075	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.3	179.2	-165.7	20.5	0	0	0	111.8	G330 V331 Q441 I442	D314-G330 WeakPolarHBondContact O-CA 3.46Å; D314-V331 PolarHBondContact O-N 2.99Å; D314-Q441 VanDerWaalsContact OD2-CA 3.22Å; D314-Q441 WeakPolarHBondContact OD2-CA 3.32Å; D314-Q441 PolarHBondContact OD2-NE2 2.76Å; D314-I442 HydrophobicContact CB-CG2 4.12Å; D314-I442 PolarHBondContact OD2-N 3.31Å
315	V	98.7	Very high	91.8	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	124.4	177.5	179.5	0	0	0	0	110.7	V231 F232 F253 V312 F328 Y329	V231-V315 HydrophobicContact CG1-CG2 4.36Å; F232-V315 HydrophobicContact CB-CB 3.99Å; F232-V315 HydrophobicContact CD1-CB 4.42Å; F232-V315 WeakPolarHBondContact CD1-O 3.44Å; F232-V315 WeakPolarHBondContact CD2-O 3.4Å; F232-V315 HydrophobicContact CG-CB 4.38Å; F232-V315 WeakPolarHBondContact CG-O 3.2Å; F253-V315 HydrophobicContact CB-CB 4.39Å; F253-V315 HydrophobicContact CB-CG2 3.84Å; F253-V315 HydrophobicContact CD1-CB 4.45Å; F253-V315 HydrophobicContact CD1-CG1 4.07Å; F253-V315 HydrophobicContact CD1-CG2 3.95Å; F253-V315 HydrophobicContact CD2-CB 4.28Å; F253-V315 HydrophobicContact CD2-CG1 4.03Å; F253-V315 HydrophobicContact CD2-CG2 4.49Å; F253-V315 HydrophobicContact CE1-CG1 4.05Å; F253-V315 HydrophobicContact CE2-CG1 4.03Å; F253-V315 HydrophobicContact CG-CB 4.12Å; F253-V315 HydrophobicContact CG-CG1 4.05Å; F253-V315 HydrophobicContact CG-CG2 3.84Å; F253-V315 HydrophobicContact CZ-CG1 4.03Å; V312-V315 HydrophobicContact CG2-CG2 3.7Å; V315-F328 HydrophobicContact CG1-CB 4.44Å; V315-Y329 CarbonylContact C-O 3.49Å; V315-Y329 VanDerWaalsContact CA-O 3.26Å; V315-Y329 WeakPolarHBondContact CA-O 3.34Å
316	F	98.4	Very high	92.4	Very high	51 Å²	51	49.6 Å²	49.6	22%	0.224	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135.4	172.7	-174.2	-95.5	0	0	0	111.3	L318 Y329 I442 V443 V444	F316-L318 HydrophobicContact CD1-CB 4.29Å; F316-L318 HydrophobicContact CE1-CB 4.12Å; F316-L318 HydrophobicContact CE1-CD1 4.23Å; F316-Y329 PolarHBondContact N-O 3.49Å; F316-Y329 PolarHBondContact O-N 2.92Å; F316-I442 HydrophobicContact CB-CG2 4.14Å; F316-V443 HydrophobicContact CD2-CB 4.07Å; F316-V443 HydrophobicContact CD2-CG1 3.96Å; F316-V443 HydrophobicContact CE2-CB 4.06Å; F316-V443 HydrophobicContact CE2-CG1 4.08Å; F316-V444 HydrophobicContact CD1-CB 3.8Å; F316-V444 HydrophobicContact CD1-CG2 4.02Å; F316-V444 HydrophobicContact CE1-CB 3.94Å; F316-V444 WeakPolarHBondContact CE1-O 3.25Å; F316-V444 WeakPolarHBondContact CZ-O 3.44Å
317	I	97.6	Very high	93	Very high	10 Å²	10	44 Å²	44	5%	0.051	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	102.2	176.4	-60.3	-171.2	0	0	0	109.8	F232 D234 I236 F253 K319 T326 F328	F232-I317 HydrophobicContact CD1-CD1 4.41Å; F232-I317 HydrophobicContact CD1-CG1 4.4Å; F232-I317 HydrophobicContact CE1-CD1 3.86Å; F232-I317 HydrophobicContact CE1-CG1 3.81Å; D234-I317 HydrophobicContact CB-CD1 3.94Å; I236-I317 HydrophobicContact CD1-CD1 4.15Å; I236-I317 HydrophobicContact CD1-CG2 3.81Å; F253-I317 HydrophobicContact CE2-CD1 4.19Å; I317-K319 HydrophobicContact CG2-CG 3.8Å; I317-K319 PolarHBondContact O-N 2.84Å; I317-K319 VanDerWaalsContact O-N 3.08Å; I317-T326 HydrophobicContact CG2-CG2 3.5Å; I317-F328 HydrophobicContact CB-CD1 4.24Å; I317-F328 HydrophobicContact CB-CE1 4.47Å; I317-F328 HydrophobicContact CD1-CD1 4.03Å; I317-F328 HydrophobicContact CD1-CE1 3.75Å; I317-F328 HydrophobicContact CD1-CZ 4.39Å; I317-F328 HydrophobicContact CG1-CD1 3.71Å; I317-F328 HydrophobicContact CG1-CE1 3.95Å; I317-F328 HydrophobicContact CG2-CD1 3.92Å; I317-F328 HydrophobicContact CG2-CE1 3.82Å
318	L	96.7	Very high	93.6	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.073	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	89.8	173.9	-177.5	63.2	0	0	0	109.3	F316 T326 V327 Y329 V444 R446 D456	F316-L318 HydrophobicContact CD1-CB 4.29Å; F316-L318 HydrophobicContact CE1-CB 4.12Å; F316-L318 HydrophobicContact CE1-CD1 4.23Å; L318-T326 WeakPolarHBondContact O-CA 3.47Å; L318-V327 PolarHBondContact N-O 3.37Å; L318-V327 PolarHBondContact O-N 2.96Å; L318-V327 VanDerWaalsContact O-N 3.08Å; L318-Y329 HydrophobicContact CB-CD2 4.34Å; L318-Y329 HydrophobicContact CB-CE2 4.49Å; L318-Y329 HydrophobicContact CD2-CE2 3.91Å; L318-V444 HydrophobicContact CD2-CG1 4.01Å; L318-R446 HydrophobicContact CD1-CG 4.22Å; L318-R446 HydrophobicContact CD2-CG 4.12Å; L318-D456 WeakPolarHBondContact CD2-OD2 3.27Å
319	K	93.1	Very high	94	Very high	104 Å²	104	40.9 Å²	40.9	45%	0.452	19%	0.187	S	C	.	.			trans	-65.4	133.1	-175.5	-63.3	-172.8	-174.6	-174.4	0	111.7	D234 V235 I317	D234-K319 IonicContact OD1-NZ 3.27Å; D234-K319 PolarHBondContact OD1-NZ 2.82Å; D234-K319 WeakPolarHBondContact OD2-CE 3.12Å; D234-K319 IonicContact OD2-NZ 2.89Å; D234-K319 PolarHBondContact OD2-NZ 2.93Å; V235-K319 PolarHBondContact O-NZ 3.27Å; V235-K319 VanDerWaalsContact O-NZ 3.09Å; I317-K319 HydrophobicContact CG2-CG 3.8Å; I317-K319 PolarHBondContact O-N 2.84Å; I317-K319 VanDerWaalsContact O-N 3.08Å
320	G	88.4	Confident	94.1	Very high	24 Å²	24	41 Å²	41	25%	0.247	19%	0.187	C	C	.	.			trans	-84	179.7	177.3	0	0	0	0	0	114.3	D322 T326	G320-D322 CarbonylContact C-O 3.58Å; G320-D322 WeakPolarHBondContact CA-O 3.23Å; G320-T326 PolarHBondContact N-OG1 2.82Å; G320-T326 VanDerWaalsContact N-OG1 3.14Å
321	R	84.1	Confident	94.3	Very high	258 Å²	258	40.7 Å²	40.7	97%	0.974	19%	0.186	S	C	*	.	S	Bend	trans	-76.7	-47.7	165.3	-69.7	-176.1	-178.4	174.5	2.8	110.1
322	D	84.7	Confident	94.3	Very high	39 Å²	39	39.6 Å²	39.6	21%	0.209	18%	0.179	C	C	.	.	S	Bend	trans	-85.9	149.3	158.4	-171.8	-29.8	0	0	0	108.2	G320 R324 D325	G320-D322 CarbonylContact C-O 3.58Å; G320-D322 WeakPolarHBondContact CA-O 3.23Å; D322-R324 HydrophobicContact CB-CB 4.43Å; D322-R324 PolarHBondContact O-N 3.48Å; D322-R324 WeakPolarHBondContact OD1-CB 3.49Å; D322-R324 VanDerWaalsContact OD1-CG 3.32Å; D322-R324 WeakPolarHBondContact OD1-CG 3.46Å; D322-R324 PolarHBondContact OD1-N 2.89Å; D322-R324 WeakPolarHBondContact OD2-CD 3.27Å; D322-R324 IonicContact OD2-NE 2.96Å; D322-D325 PolarHBondContact N-OD2 3.41Å; D322-D325 PolarHBondContact O-N 2.87Å; D322-D325 VanDerWaalsContact O-N 3.12Å
323	W	84.4	Confident	94.1	Very high	39 Å²	39	40.3 Å²	40.3	15%	0.148	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.7	-28	170.4	68.5	-93.4	0	0	0	111.6	I236 E239 D325 T326 M349 E353	I236-W323 HydrophobicContact CG2-CB 4.23Å; E239-W323 PolarHBondContact OE2-NE1 3.02Å; W323-D325 VanDerWaalsContact C-N 3.27Å; W323-D325 PolarHBondContact O-N 2.8Å; W323-T326 WeakPolarHBondContact O-CB 3.5Å; W323-T326 PolarHBondContact O-N 2.93Å; W323-T326 VanDerWaalsContact O-N 3.12Å; W323-T326 PolarHBondContact O-OG1 2.9Å; W323-M349 HydrophobicContact CE3-CE 4.39Å; W323-M349 HydrophobicContact CE3-CG 3.68Å; W323-M349 HydrophobicContact CZ3-CG 4.02Å; W323-E353 HydrophobicContact CH2-CB 4.2Å; W323-E353 HydrophobicContact CH2-CG 4.01Å; W323-E353 HydrophobicContact CZ3-CB 4.1Å; W323-E353 HydrophobicContact CZ3-CG 3.67Å
324	R	86.9	Confident	93.9	Very high	90 Å²	90	37.1 Å²	37.1	34%	0.34	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-64.3	-28.5	175.3	-63.7	172.5	-172	-84.4	-9	113.5	D322 T326 N348	D322-R324 HydrophobicContact CB-CB 4.43Å; D322-R324 PolarHBondContact O-N 3.48Å; D322-R324 WeakPolarHBondContact OD1-CB 3.49Å; D322-R324 VanDerWaalsContact OD1-CG 3.32Å; D322-R324 WeakPolarHBondContact OD1-CG 3.46Å; D322-R324 PolarHBondContact OD1-N 2.89Å; D322-R324 WeakPolarHBondContact OD2-CD 3.27Å; D322-R324 IonicContact OD2-NE 2.96Å; R324-T326 PolarHBondContact O-N 2.85Å; R324-N348 PolarHBondContact O-OD1 2.79Å
325	D	90	Very high	93.4	Very high	84 Å²	84	39 Å²	39	45%	0.449	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-84.3	4.2	177	-51.7	-34.9	0	0	0	112.3	D322 W323 R446	D322-D325 PolarHBondContact N-OD2 3.41Å; D322-D325 PolarHBondContact O-N 2.87Å; D322-D325 VanDerWaalsContact O-N 3.12Å; W323-D325 VanDerWaalsContact C-N 3.27Å; W323-D325 PolarHBondContact O-N 2.8Å; D325-R446 PolarHBondContact O-NH1 2.89Å; D325-R446 PolarHBondContact O-NH2 2.81Å
326	T	95.3	Very high	92.5	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.025	19%	0.192	C	C	.	.			trans	-77.1	133.3	176.5	-58.3	0	0	0	0	110.3	I236 I317 L318 G320 W323 R324 F328 M349	I236-T326 HydrophobicContact CD1-CG2 4.2Å; I317-T326 HydrophobicContact CG2-CG2 3.5Å; L318-T326 WeakPolarHBondContact O-CA 3.47Å; G320-T326 PolarHBondContact N-OG1 2.82Å; G320-T326 VanDerWaalsContact N-OG1 3.14Å; W323-T326 WeakPolarHBondContact O-CB 3.5Å; W323-T326 PolarHBondContact O-N 2.93Å; W323-T326 VanDerWaalsContact O-N 3.12Å; W323-T326 PolarHBondContact O-OG1 2.9Å; R324-T326 PolarHBondContact O-N 2.85Å; T326-F328 HydrophobicContact CG2-CD1 4.2Å; T326-F328 HydrophobicContact CG2-CE1 3.88Å; T326-M349 HydrophobicContact CG2-CB 4.47Å; T326-M349 VanDerWaalsContact O-CB 3.22Å; T326-M349 WeakPolarHBondContact O-CB 3.45Å; T326-M349 PolarHBondContact O-N 2.84Å
327	V	97.4	Very high	90.5	Very high	13 Å²	13	43 Å²	43	8%	0.079	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131	178.7	-175.6	0	0	0	0	109.1	L318 Y329 A346 Y347 I426	L318-V327 PolarHBondContact N-O 3.37Å; L318-V327 PolarHBondContact O-N 2.96Å; L318-V327 VanDerWaalsContact O-N 3.08Å; V327-Y329 HydrophobicContact CB-CD2 4.29Å; V327-Y329 HydrophobicContact CB-CE2 3.92Å; V327-Y329 HydrophobicContact CG1-CD2 3.79Å; V327-Y329 HydrophobicContact CG1-CE2 3.41Å; V327-Y329 VanDerWaalsContact CG1-CE2 3.41Å; V327-A346 HydrophobicContact CG1-CB 3.99Å; V327-Y347 WeakPolarHBondContact CA-O 3.47Å; V327-I426 HydrophobicContact CG1-CD1 4.08Å
328	F	98.4	Very high	88.6	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	120	170.5	-53.8	-22.5	0	0	0	108.4	I236 Y251 F253 V315 I317 T326 A346 Y347 M349 V352	I236-F328 HydrophobicContact CD1-CE1 4.03Å; I236-F328 HydrophobicContact CD1-CZ 4.41Å; I236-F328 HydrophobicContact CG1-CE1 4.4Å; I236-F328 HydrophobicContact CG1-CZ 4.28Å; Y251-F328 HydrophobicContact CD1-CE2 4.33Å; Y251-F328 HydrophobicContact CD1-CZ 4.46Å; Y251-F328 HydrophobicContact CG-CZ 4.44Å; F253-F328 AromaticContact CE1-CD2 3.88Å; F253-F328 HydrophobicContact CE1-CD2 3.88Å; F253-F328 HydrophobicContact CE1-CE2 4.3Å; F253-F328 HydrophobicContact CE1-CG 4.5Å; F253-F328 AromaticContact CZ-CD2 3.56Å; F253-F328 HydrophobicContact CZ-CD2 3.56Å; F253-F328 AromaticContact CZ-CE2 3.7Å; F253-F328 HydrophobicContact CZ-CE2 3.7Å; F253-F328 HydrophobicContact CZ-CG 4.04Å; F253-F328 HydrophobicContact CZ-CZ 4.31Å; V315-F328 HydrophobicContact CG1-CB 4.44Å; I317-F328 HydrophobicContact CB-CD1 4.24Å; I317-F328 HydrophobicContact CB-CE1 4.47Å; I317-F328 HydrophobicContact CD1-CD1 4.03Å; I317-F328 HydrophobicContact CD1-CE1 3.75Å; I317-F328 HydrophobicContact CD1-CZ 4.39Å; I317-F328 HydrophobicContact CG1-CD1 3.71Å; I317-F328 HydrophobicContact CG1-CE1 3.95Å; I317-F328 HydrophobicContact CG2-CD1 3.92Å; I317-F328 HydrophobicContact CG2-CE1 3.82Å; T326-F328 HydrophobicContact CG2-CD1 4.2Å; T326-F328 HydrophobicContact CG2-CE1 3.88Å; F328-A346 CarbonylContact O-C 3.55Å; F328-A346 VanDerWaalsContact O-CA 3.32Å; F328-A346 WeakPolarHBondContact O-CA 3.46Å; F328-Y347 HydrophobicContact CB-CD2 4.45Å; F328-Y347 PolarHBondContact N-O 2.89Å; F328-Y347 WeakPolarHBondContact O-CD2 3.48Å; F328-Y347 PolarHBondContact O-N 2.87Å; F328-M349 HydrophobicContact CE1-SD 4.13Å; F328-M349 HydrophobicContact CE2-SD 3.97Å; F328-M349 HydrophobicContact CZ-SD 3.39Å; F328-M349 WeakPolarHBondContact CZ-SD 3.39Å; F328-V352 HydrophobicContact CD2-CG2 4.01Å; F328-V352 HydrophobicContact CE2-CB 4.42Å; F328-V352 HydrophobicContact CE2-CG1 4.16Å; F328-V352 HydrophobicContact CE2-CG2 3.9Å
329	Y	98.6	Very high	87.1	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.016	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	126	171.8	-81.9	-92.8	0	0	0	108.6	V315 F316 L318 V327 V344 A346 V444 D456 I458	V315-Y329 CarbonylContact C-O 3.49Å; V315-Y329 VanDerWaalsContact CA-O 3.26Å; V315-Y329 WeakPolarHBondContact CA-O 3.34Å; F316-Y329 PolarHBondContact N-O 3.49Å; F316-Y329 PolarHBondContact O-N 2.92Å; L318-Y329 HydrophobicContact CB-CD2 4.34Å; L318-Y329 HydrophobicContact CB-CE2 4.49Å; L318-Y329 HydrophobicContact CD2-CE2 3.91Å; V327-Y329 HydrophobicContact CB-CD2 4.29Å; V327-Y329 HydrophobicContact CB-CE2 3.92Å; V327-Y329 HydrophobicContact CG1-CD2 3.79Å; V327-Y329 HydrophobicContact CG1-CE2 3.41Å; V327-Y329 VanDerWaalsContact CG1-CE2 3.41Å; Y329-V344 HydrophobicContact CD1-CG1 4.01Å; Y329-A346 HydrophobicContact CD1-CB 3.93Å; Y329-A346 HydrophobicContact CE1-CB 3.62Å; Y329-A346 HydrophobicContact CE2-CB 4.42Å; Y329-A346 HydrophobicContact CG-CB 4.45Å; Y329-V444 HydrophobicContact CD1-CG2 4.12Å; Y329-V444 HydrophobicContact CD2-CB 4.37Å; Y329-V444 HydrophobicContact CD2-CG1 4.34Å; Y329-V444 HydrophobicContact CD2-CG2 3.92Å; Y329-V444 HydrophobicContact CE2-CG1 4.17Å; Y329-V444 HydrophobicContact CG-CG2 3.72Å; Y329-D456 PolarHBondContact OH-OD2 2.9Å; Y329-I458 HydrophobicContact CD1-CD1 4.14Å; Y329-I458 HydrophobicContact CD1-CG1 4.48Å; Y329-I458 HydrophobicContact CE1-CD1 3.76Å; Y329-I458 HydrophobicContact CE1-CG1 4.22Å
330	G	98.4	Very high	86.1	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	142.6	178.3	0	0	0	0	0	112.3	D314 F332 V344 C345	D314-G330 WeakPolarHBondContact O-CA 3.46Å; G330-F332 VanDerWaalsContact C-CE2 3.42Å; G330-F332 VanDerWaalsContact O-CD2 3.24Å; G330-F332 WeakPolarHBondContact O-CD2 3.44Å; G330-F332 VanDerWaalsContact O-CE2 3.26Å; G330-F332 WeakPolarHBondContact O-CE2 3.33Å; G330-V344 WeakPolarHBondContact O-CA 3.49Å; G330-C345 PolarHBondContact N-O 2.81Å; G330-C345 PolarHBondContact O-N 3.45Å
331	V	98.1	Very high	86.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.3	170.5	164.2	0	0	0	0	109.6	V312 H313 D314 V344 Y439 I442 T460	V312-V331 WeakPolarHBondContact CA-O 3.18Å; V312-V331 WeakPolarHBondContact CG2-O 3.24Å; H313-V331 HydrophobicContact CB-CG1 4.29Å; H313-V331 PolarHBondContact N-O 2.86Å; D314-V331 PolarHBondContact O-N 2.99Å; V331-V344 HydrophobicContact CG2-CG2 4.28Å; V331-Y439 VanDerWaalsContact CG1-CB 3.44Å; V331-Y439 WeakPolarHBondContact CG1-O 3.41Å; V331-I442 HydrophobicContact CG2-CB 3.68Å; V331-I442 HydrophobicContact CG2-CD1 4.02Å; V331-I442 HydrophobicContact CG2-CG1 4.42Å; V331-I442 HydrophobicContact CG2-CG2 3.89Å; V331-T460 HydrophobicContact CG2-CG2 4.04Å
332	F	97.4	Very high	86.5	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	145.1	-176.8	-56.2	-102.9	0	0	0	112.1	P270 L298 C300 F309 V311 V312 G330 S342 A343 C345 Y347	P270-F332 HydrophobicContact CB-CD1 4.29Å; P270-F332 HydrophobicContact CB-CE1 3.77Å; P270-F332 HydrophobicContact CG-CD1 3.91Å; P270-F332 HydrophobicContact CG-CE1 3.87Å; L298-F332 HydrophobicContact CD2-CE1 4.25Å; L298-F332 HydrophobicContact CD2-CZ 3.87Å; L298-F332 HydrophobicContact CG-CZ 4.22Å; C300-F332 HydrophobicContact CB-CB 4.22Å; C300-F332 HydrophobicContact CB-CD1 3.9Å; C300-F332 HydrophobicContact CB-CD2 3.75Å; C300-F332 HydrophobicContact CB-CE1 4.15Å; C300-F332 HydrophobicContact CB-CE2 4.03Å; C300-F332 HydrophobicContact CB-CG 3.7Å; C300-F332 HydrophobicContact CB-CZ 4.22Å; F309-F332 HydrophobicContact CB-CB 3.52Å; V311-F332 CarbonylContact O-C 3.6Å; V311-F332 WeakPolarHBondContact O-CA 3.08Å; V312-F332 HydrophobicContact CB-CD1 3.82Å; V312-F332 HydrophobicContact CB-CE1 3.73Å; V312-F332 HydrophobicContact CB-CZ 4.45Å; V312-F332 HydrophobicContact CG2-CD1 4.21Å; V312-F332 HydrophobicContact CG2-CE1 3.93Å; V312-F332 HydrophobicContact CG2-CZ 4.15Å; G330-F332 VanDerWaalsContact C-CE2 3.42Å; G330-F332 VanDerWaalsContact O-CD2 3.24Å; G330-F332 WeakPolarHBondContact O-CD2 3.44Å; G330-F332 VanDerWaalsContact O-CE2 3.26Å; G330-F332 WeakPolarHBondContact O-CE2 3.33Å; F332-S342 CarbonylContact O-C 3.49Å; F332-S342 WeakPolarHBondContact O-CA 3.31Å; F332-A343 PolarHBondContact N-O 2.89Å; F332-A343 PolarHBondContact O-N 3.02Å; F332-C345 HydrophobicContact CD2-CB 4.13Å; F332-C345 HydrophobicContact CE2-CB 3.74Å; F332-Y347 AromaticContact CE2-CE2 3.98Å; F332-Y347 HydrophobicContact CE2-CE2 3.98Å; F332-Y347 AromaticContact CZ-CE2 3.85Å; F332-Y347 HydrophobicContact CZ-CE2 3.85Å; F332-Y347 AromaticContact CZ-CZ 3.97Å; F332-Y347 VanDerWaalsContact CZ-OH 3.26Å; F332-Y347 WeakPolarHBondContact CZ-OH 3.29Å
333	T	94.7	Very high	87	Confident	19 Å²	19	32 Å²	32	12%	0.117	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	172.5	163.9	68.3	0	0	0	0	110.3	F309 N310 V311 H313	F309-T333 CarbonylContact C-O 3.56Å; F309-T333 VanDerWaalsContact C-O 3.25Å; F309-T333 VanDerWaalsContact CA-O 3.31Å; F309-T333 WeakPolarHBondContact CA-O 3.31Å; N310-T333 PolarHBondContact N-O 2.92Å; V311-T333 PolarHBondContact N-O 3.16Å; V311-T333 PolarHBondContact O-N 2.99Å; H313-T333 WeakPolarHBondContact NE2-CG2 3.34Å; H313-T333 PolarHBondContact NE2-OG1 3.1Å
334	S	91.1	Very high	87.6	Confident	8 Å²	8	30.1 Å²	30.1	6%	0.056	17%	0.165	C	C	.	.			trans	-88.9	142.2	170	-160.1	0	0	0	0	111.3	V308 W336	V308-S334 PolarHBondContact O-OG 3.4Å; S334-W336 PolarHBondContact O-N 3.34Å; S334-W336 VanDerWaalsContact OG-CE3 3.27Å
335	Q	89.3	Confident	88.1	Confident	52 Å²	52	25.8 Å²	25.8	24%	0.243	15%	0.149	C	C	.	.	S	Bend	trans	-66.3	-22.8	176.5	75.6	171.6	39.6	0	0	113	K266 L268 N310 V311 G337	K266-Q335 PolarHBondContact O-NE2 3.09Å; L268-Q335 HydrophobicContact CD1-CB 4.27Å; N310-Q335 VanDerWaalsContact ND2-CD 3.32Å; N310-Q335 WeakPolarHBondContact ND2-CG 3.43Å; N310-Q335 PolarHBondContact ND2-OE1 3.42Å; N310-Q335 WeakPolarHBondContact OD1-CB 3.48Å; N310-Q335 WeakPolarHBondContact OD1-CG 3.32Å; N310-Q335 PolarHBondContact OD1-N 3.38Å; V311-Q335 HydrophobicContact CG2-CB 3.89Å; Q335-G337 PolarHBondContact O-N 2.98Å
336	W	79.5	Confident	88.4	Confident	86 Å²	86	21.9 Å²	21.9	33%	0.326	13%	0.128	S	C	.	.	S	Bend	trans	-84.6	53.5	179.2	-54.5	-71	0	0	0	109.9	F263 L267 S334 N338	F263-W336 HydrophobicContact CE1-CZ2 4.17Å; F263-W336 HydrophobicContact CZ-CZ2 4.43Å; L267-W336 HydrophobicContact CD1-CH2 3.82Å; L267-W336 HydrophobicContact CD1-CZ2 3.81Å; S334-W336 PolarHBondContact O-N 3.34Å; S334-W336 VanDerWaalsContact OG-CE3 3.27Å; W336-N338 VanDerWaalsContact C-N 3.26Å; W336-N338 PolarHBondContact O-N 2.81Å
337	G	57.5	Low	88.6	Confident	54 Å²	54	21.8 Å²	21.8	56%	0.557	13%	0.127	S	C	*	.			trans	-71.4	31.5	-152.6	0	0	0	0	0	119.2	Q335	Q335-G337 PolarHBondContact O-N 2.98Å
338	N	57.4	Low	88.5	Confident	171 Å²	171	24 Å²	24	91%	0.914	14%	0.138	S	C	*	.	S	Bend	trans	-96.2	12.5	175.9	-78.8	2.5	0	0	0	114.2	W336	W336-N338 VanDerWaalsContact C-N 3.26Å; W336-N338 PolarHBondContact O-N 2.81Å
339	V	63.9	Low	88.3	Confident	18 Å²	18	24 Å²	24	11%	0.109	14%	0.138	C	C	.	.	S	Bend	trans	-108.6	-9.5	-178.4	-150.9	0	0	0	0	113.6	L34 S38 L341	L34-V339 HydrophobicContact CD2-CG2 3.48Å; L34-V339 VanDerWaalsContact CD2-CG2 3.48Å; S38-V339 VanDerWaalsContact OG-CG1 3.29Å; S38-V339 WeakPolarHBondContact OG-CG1 3.43Å; V339-L341 HydrophobicContact CB-CD1 3.82Å; V339-L341 HydrophobicContact CB-CG 4Å; V339-L341 HydrophobicContact CG1-CD1 3.52Å; V339-L341 HydrophobicContact CG1-CG 3.85Å; V339-L341 PolarHBondContact O-N 3.02Å
340	G	72.8	Confident	88.1	Confident	16 Å²	16	25.5 Å²	25.5	17%	0.165	15%	0.152	C	C	.	.			trans	60.5	29.4	-178.3	0	0	0	0	0	114.5	K435 D436 V437	G340-K435 CarbonylContact O-C 3.59Å; G340-D436 WeakPolarHBondContact O-CA 3.45Å; G340-D436 PolarHBondContact O-N 3.26Å; G340-V437 PolarHBondContact O-N 3.08Å; G340-V437 VanDerWaalsContact O-N 3.08Å
341	L	87.9	Confident	88	Confident	11 Å²	11	27.5 Å²	27.5	6%	0.058	17%	0.168	C	C	.	.			trans	-95	125.8	-176.8	-71.6	167	0	0	0	111.7	V37 F307 F309 V339 T434 K435	V37-L341 HydrophobicContact CB-CD1 4.48Å; V37-L341 HydrophobicContact CG1-CD1 3.54Å; V37-L341 HydrophobicContact CG1-CD2 4.41Å; F307-L341 HydrophobicContact CE1-CD1 4.1Å; F307-L341 HydrophobicContact CE2-CD1 4.04Å; F307-L341 HydrophobicContact CZ-CD1 3.59Å; F309-L341 HydrophobicContact CE1-CB 4.07Å; V339-L341 HydrophobicContact CB-CD1 3.82Å; V339-L341 HydrophobicContact CB-CG 4Å; V339-L341 HydrophobicContact CG1-CD1 3.52Å; V339-L341 HydrophobicContact CG1-CG 3.85Å; V339-L341 PolarHBondContact O-N 3.02Å; L341-T434 WeakPolarHBondContact CA-O 3.37Å; L341-K435 HydrophobicContact CD2-CB 3.99Å; L341-K435 HydrophobicContact CD2-CG 3.94Å
342	S	93.1	Very high	87.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	153.5	168.7	-58.1	0	0	0	0	111.1	F332 I433 T434 V437 N438 Y439	F332-S342 CarbonylContact O-C 3.49Å; F332-S342 WeakPolarHBondContact O-CA 3.31Å; S342-I433 WeakPolarHBondContact O-CA 3.38Å; S342-T434 PolarHBondContact N-O 2.97Å; S342-T434 PolarHBondContact O-N 3.46Å; S342-V437 WeakPolarHBondContact CB-O 3.38Å; S342-V437 PolarHBondContact OG-O 2.87Å; S342-N438 VanDerWaalsContact OG-CA 3.31Å; S342-N438 WeakPolarHBondContact OG-CA 3.23Å; S342-Y439 PolarHBondContact OG-N 2.97Å
343	A	94.8	Very high	87.8	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	149.3	173.6	0	0	0	0	0	111.7	F309 F332 P430 L432 I433	F309-A343 HydrophobicContact CB-CB 4.43Å; F309-A343 HydrophobicContact CD1-CB 3.58Å; F309-A343 HydrophobicContact CD2-CB 3.69Å; F309-A343 HydrophobicContact CE1-CB 3.57Å; F309-A343 HydrophobicContact CE2-CB 3.7Å; F309-A343 HydrophobicContact CG-CB 3.64Å; F309-A343 HydrophobicContact CZ-CB 3.65Å; F332-A343 PolarHBondContact N-O 2.89Å; F332-A343 PolarHBondContact O-N 3.02Å; A343-P430 HydrophobicContact CB-CB 4.03Å; A343-P430 HydrophobicContact CB-CG 4.26Å; A343-L432 CarbonylContact C-O 3.49Å; A343-L432 VanDerWaalsContact CA-O 3.24Å; A343-L432 WeakPolarHBondContact CA-O 3.37Å; A343-I433 HydrophobicContact CB-CG1 4.35Å
344	V	96.9	Very high	87.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	120	167.9	-176.2	0	0	0	0	108.3	Y329 G330 V331 P430 R431 L432 Y439 I442 I458 T460	Y329-V344 HydrophobicContact CD1-CG1 4.01Å; G330-V344 WeakPolarHBondContact O-CA 3.49Å; V331-V344 HydrophobicContact CG2-CG2 4.28Å; V344-P430 CarbonylContact O-C 3.56Å; V344-R431 PolarHBondContact O-N 3.25Å; V344-L432 HydrophobicContact CB-CB 4.07Å; V344-L432 HydrophobicContact CG2-CB 4.15Å; V344-L432 HydrophobicContact CG2-CD2 4.35Å; V344-L432 PolarHBondContact N-O 3.24Å; V344-L432 PolarHBondContact O-N 3.03Å; V344-Y439 HydrophobicContact CG2-CD2 4.43Å; V344-Y439 HydrophobicContact CG2-CE2 4.44Å; V344-I442 HydrophobicContact CG1-CD1 3.57Å; V344-I442 HydrophobicContact CG2-CD1 4.28Å; V344-I458 HydrophobicContact CG1-CD1 4.41Å; V344-T460 HydrophobicContact CG2-CG2 4.11Å
345	C	97.5	Very high	88.2	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.1	173.1	-82.8	0	0	0	0	110.4	C300 G330 F332 Y347 P425 P430	C300-C345 WeakPolarHBondContact CA-SG 3.14Å; C300-C345 HydrophobicContact CB-CB 3.84Å; C300-C345 WeakPolarHBondContact CB-SG 3.31Å; C300-C345 WeakPolarHBondContact SG-CB 3.35Å; C300-C345 CovalentContact SG-SG 2.04Å; C300-C345 PolarHBondContact SG-SG 2.96Å; G330-C345 PolarHBondContact N-O 2.81Å; G330-C345 PolarHBondContact O-N 3.45Å; F332-C345 HydrophobicContact CD2-CB 4.13Å; F332-C345 HydrophobicContact CE2-CB 3.74Å; C345-Y347 HydrophobicContact CB-CE2 3.75Å; C345-Y347 VanDerWaalsContact CB-OH 3.23Å; C345-Y347 WeakPolarHBondContact CB-OH 3.43Å; C345-P425 HydrophobicContact CB-CB 4.07Å; C345-P430 VanDerWaalsContact SG-CA 3.6Å
346	A	97.4	Very high	88.6	Confident	1 Å²	1	30 Å²	30	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.5	179.6	0	0	0	0	0	110.2	V327 F328 Y329 P425 I426 R431	V327-A346 HydrophobicContact CG1-CB 3.99Å; F328-A346 CarbonylContact O-C 3.55Å; F328-A346 VanDerWaalsContact O-CA 3.32Å; F328-A346 WeakPolarHBondContact O-CA 3.46Å; Y329-A346 HydrophobicContact CD1-CB 3.93Å; Y329-A346 HydrophobicContact CE1-CB 3.62Å; Y329-A346 HydrophobicContact CE2-CB 4.42Å; Y329-A346 HydrophobicContact CG-CB 4.45Å; A346-P425 CarbonylContact O-C 3.52Å; A346-P425 VanDerWaalsContact O-CA 3.27Å; A346-P425 WeakPolarHBondContact O-CA 3.03Å; A346-P425 WeakPolarHBondContact O-CB 3.37Å; A346-I426 HydrophobicContact CB-CD1 4.25Å; A346-I426 WeakPolarHBondContact O-CG1 3.39Å; A346-I426 PolarHBondContact O-N 2.67Å; A346-R431 HydrophobicContact CB-CG 3.91Å
347	Y	98	Very high	89.3	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	129.6	-174.5	-52.6	-88.2	0	0	0	110.6	L298 V299 V327 F328 F332 C345 V423 L424 P425	L298-Y347 HydrophobicContact CD1-CD1 3.62Å; L298-Y347 HydrophobicContact CD1-CD2 3.9Å; L298-Y347 HydrophobicContact CD1-CE1 3.48Å; L298-Y347 VanDerWaalsContact CD1-CE1 3.48Å; L298-Y347 HydrophobicContact CD1-CE2 3.78Å; L298-Y347 HydrophobicContact CD1-CG 3.84Å; L298-Y347 HydrophobicContact CD2-CE2 4.14Å; L298-Y347 HydrophobicContact CG-CE1 4.06Å; L298-Y347 HydrophobicContact CG-CE2 3.97Å; V299-Y347 VanDerWaalsContact C-OH 3.29Å; V299-Y347 VanDerWaalsContact O-CE1 3.3Å; V299-Y347 WeakPolarHBondContact O-CE1 3.4Å; V299-Y347 PolarHBondContact O-OH 2.76Å; V327-Y347 WeakPolarHBondContact CA-O 3.47Å; F328-Y347 HydrophobicContact CB-CD2 4.45Å; F328-Y347 PolarHBondContact N-O 2.89Å; F328-Y347 WeakPolarHBondContact O-CD2 3.48Å; F328-Y347 PolarHBondContact O-N 2.87Å; F332-Y347 AromaticContact CE2-CE2 3.98Å; F332-Y347 HydrophobicContact CE2-CE2 3.98Å; F332-Y347 AromaticContact CZ-CE2 3.85Å; F332-Y347 HydrophobicContact CZ-CE2 3.85Å; F332-Y347 AromaticContact CZ-CZ 3.97Å; F332-Y347 VanDerWaalsContact CZ-OH 3.26Å; F332-Y347 WeakPolarHBondContact CZ-OH 3.29Å; C345-Y347 HydrophobicContact CB-CE2 3.75Å; C345-Y347 VanDerWaalsContact CB-OH 3.23Å; C345-Y347 WeakPolarHBondContact CB-OH 3.43Å; Y347-V423 HydrophobicContact CD1-CG1 3.78Å; Y347-V423 HydrophobicContact CE1-CG1 4.48Å; Y347-V423 HydrophobicContact CG-CG1 4.36Å; Y347-L424 WeakPolarHBondContact CD1-O 3.19Å; Y347-P425 HydrophobicContact CD1-CB 4.09Å; Y347-P425 HydrophobicContact CE1-CB 3.72Å; Y347-P425 HydrophobicContact CE1-CG 4.38Å
348	N	95.8	Very high	91.1	Very high	59 Å²	59	32.5 Å²	32.5	32%	0.316	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	129.4	176.5	-175.2	-52.5	0	0	0	110.2	R324 A350 A351 V352 I426	R324-N348 PolarHBondContact O-OD1 2.79Å; N348-A350 PolarHBondContact O-N 3.33Å; N348-A350 VanDerWaalsContact OD1-CB 3.23Å; N348-A350 WeakPolarHBondContact OD1-CB 3.36Å; N348-A350 PolarHBondContact OD1-N 3.48Å; N348-A351 WeakPolarHBondContact O-CB 3.24Å; N348-A351 PolarHBondContact O-N 2.95Å; N348-V352 PolarHBondContact O-N 2.93Å; N348-I426 HydrophobicContact CB-CD1 4.18Å; N348-I426 HydrophobicContact CB-CG1 4.13Å
349	M	94.9	Very high	93	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-57.8	-30.3	-179.3	179.9	56.2	-174.5	0	0	113.6	I236 Y251 W323 T326 F328 A351 V352 E353	I236-M349 HydrophobicContact CB-CE 4.16Å; I236-M349 HydrophobicContact CG1-CE 4.12Å; I236-M349 HydrophobicContact CG1-SD 4.48Å; I236-M349 HydrophobicContact CG2-CE 3.83Å; Y251-M349 HydrophobicContact CE2-CE 3.63Å; Y251-M349 WeakPolarHBondContact OH-CE 3.34Å; W323-M349 HydrophobicContact CE3-CE 4.39Å; W323-M349 HydrophobicContact CE3-CG 3.68Å; W323-M349 HydrophobicContact CZ3-CG 4.02Å; T326-M349 HydrophobicContact CG2-CB 4.47Å; T326-M349 VanDerWaalsContact O-CB 3.22Å; T326-M349 WeakPolarHBondContact O-CB 3.45Å; T326-M349 PolarHBondContact O-N 2.84Å; F328-M349 HydrophobicContact CE1-SD 4.13Å; F328-M349 HydrophobicContact CE2-SD 3.97Å; F328-M349 HydrophobicContact CZ-SD 3.39Å; F328-M349 WeakPolarHBondContact CZ-SD 3.39Å; M349-A351 PolarHBondContact O-N 2.81Å; M349-V352 WeakPolarHBondContact O-CB 3.41Å; M349-V352 PolarHBondContact O-N 3.19Å; M349-V352 HydrophobicContact SD-CB 4.23Å; M349-V352 HydrophobicContact SD-CG1 4.43Å; M349-E353 HydrophobicContact CE-CG 3.63Å; M349-E353 PolarHBondContact O-N 2.78Å; M349-E353 HydrophobicContact SD-CG 4.49Å
350	A	93.9	Very high	94.6	Very high	37 Å²	37	28.2 Å²	28.2	31%	0.306	16%	0.157	S	C	.	.	H	α-helix	trans	-64.6	-36.7	174.3	0	0	0	0	0	112.8	N348 E354	N348-A350 PolarHBondContact O-N 3.33Å; N348-A350 VanDerWaalsContact OD1-CB 3.23Å; N348-A350 WeakPolarHBondContact OD1-CB 3.36Å; N348-A350 PolarHBondContact OD1-N 3.48Å; A350-E354 WeakPolarHBondContact O-CB 3.44Å; A350-E354 PolarHBondContact O-N 3.23Å
351	A	95.6	Very high	95.8	Very high	42 Å²	42	27.7 Å²	27.7	35%	0.347	15%	0.15	S	C	.	.	H	α-helix	trans	-71.5	-36.4	175.6	0	0	0	0	0	111.6	N348 M349 E354 V355	N348-A351 WeakPolarHBondContact O-CB 3.24Å; N348-A351 PolarHBondContact O-N 2.95Å; M349-A351 PolarHBondContact O-N 2.81Å; A351-E354 PolarHBondContact O-N 3.12Å; A351-V355 PolarHBondContact O-N 3.47Å
352	V	97.3	Very high	96.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.4	-50.8	172.1	-179.6	0	0	0	0	110.4	Y251 V272 F328 N348 M349 E354 V355 F356 V423	Y251-V352 HydrophobicContact CD1-CG1 4.5Å; Y251-V352 HydrophobicContact CE1-CG1 3.72Å; V272-V352 HydrophobicContact CG2-CG1 4.47Å; F328-V352 HydrophobicContact CD2-CG2 4.01Å; F328-V352 HydrophobicContact CE2-CB 4.42Å; F328-V352 HydrophobicContact CE2-CG1 4.16Å; F328-V352 HydrophobicContact CE2-CG2 3.9Å; N348-V352 PolarHBondContact O-N 2.93Å; M349-V352 WeakPolarHBondContact O-CB 3.41Å; M349-V352 PolarHBondContact O-N 3.19Å; M349-V352 HydrophobicContact SD-CB 4.23Å; M349-V352 HydrophobicContact SD-CG1 4.43Å; V352-E354 VanDerWaalsContact C-N 3.33Å; V352-E354 PolarHBondContact O-N 3Å; V352-V355 PolarHBondContact O-N 2.79Å; V352-F356 HydrophobicContact CG1-CD2 3.81Å; V352-F356 HydrophobicContact CG1-CE2 3.65Å; V352-F356 VanDerWaalsContact O-CD2 3.22Å; V352-F356 WeakPolarHBondContact O-CD2 3.31Å; V352-F356 PolarHBondContact O-N 3.36Å; V352-F356 VanDerWaalsContact O-N 3.15Å; V352-V423 HydrophobicContact CG2-CG1 3.82Å
353	E	94.7	Very high	96.3	Very high	17 Å²	17	31.1 Å²	31.1	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-35.5	177.3	-84.6	-73.2	-177.4	0	0	113	K249 Y251 R274 W323 M349 F356 S357	K249-E353 VanDerWaalsContact CD-OE1 3.29Å; K249-E353 WeakPolarHBondContact CD-OE1 3.36Å; K249-E353 VanDerWaalsContact CE-OE1 3.23Å; K249-E353 WeakPolarHBondContact CE-OE1 3.43Å; K249-E353 IonicContact NZ-OE1 3.95Å; K249-E353 PolarHBondContact NZ-OE1 2.95Å; Y251-E353 PolarHBondContact OH-OE1 2.69Å; R274-E353 IonicContact CZ-OE2 3.02Å; R274-E353 IonicContact NH1-OE1 2.78Å; R274-E353 PolarHBondContact NH1-OE1 2.88Å; R274-E353 IonicContact NH1-OE2 2.69Å; R274-E353 PolarHBondContact NH1-OE2 3.2Å; R274-E353 IonicContact NH2-OE2 2.81Å; W323-E353 HydrophobicContact CH2-CB 4.2Å; W323-E353 HydrophobicContact CH2-CG 4.01Å; W323-E353 HydrophobicContact CZ3-CB 4.1Å; W323-E353 HydrophobicContact CZ3-CG 3.67Å; M349-E353 HydrophobicContact CE-CG 3.63Å; M349-E353 PolarHBondContact O-N 2.78Å; M349-E353 HydrophobicContact SD-CG 4.49Å; E353-F356 PolarHBondContact O-N 3.22Å; E353-S357 WeakPolarHBondContact O-CB 3.37Å; E353-S357 PolarHBondContact O-N 3.03Å; E353-S357 PolarHBondContact O-OG 2.76Å
354	E	96.1	Very high	96	Very high	100 Å²	100	35.4 Å²	35.4	47%	0.467	19%	0.185	S	C	.	.	H	α-helix	trans	-60.1	-46.1	174.7	177.3	143.2	-123.5	0	0	112.1	A350 A351 V352 S357 K358 G359	A350-E354 WeakPolarHBondContact O-CB 3.44Å; A350-E354 PolarHBondContact O-N 3.23Å; A351-E354 PolarHBondContact O-N 3.12Å; V352-E354 VanDerWaalsContact C-N 3.33Å; V352-E354 PolarHBondContact O-N 3Å; E354-S357 PolarHBondContact O-N 2.86Å; E354-S357 PolarHBondContact O-OG 3.37Å; E354-K358 HydrophobicContact CG-CD 4.21Å; E354-K358 WeakPolarHBondContact O-CB 3.41Å; E354-K358 PolarHBondContact O-N 3.01Å; E354-K358 WeakPolarHBondContact OE1-CD 3.14Å; E354-K358 WeakPolarHBondContact OE1-CE 3.42Å; E354-K358 IonicContact OE1-NZ 2.78Å; E354-K358 PolarHBondContact OE1-NZ 2.93Å; E354-G359 PolarHBondContact O-N 2.65Å
355	V	98.1	Very high	95.5	Very high	15 Å²	15	37 Å²	37	9%	0.091	20%	0.198	C	C	.	.	H	α-helix	trans	-59	-49.4	174.7	170.2	0	0	0	0	110.9	A296 A351 V352 S357 G359 L419 D421 V423	A296-V355 HydrophobicContact CB-CG1 3.8Å; A351-V355 PolarHBondContact O-N 3.47Å; V352-V355 PolarHBondContact O-N 2.79Å; V355-S357 PolarHBondContact O-N 3.27Å; V355-G359 WeakPolarHBondContact O-CA 3.2Å; V355-G359 PolarHBondContact O-N 3.4Å; V355-L419 HydrophobicContact CG1-CB 4.49Å; V355-L419 HydrophobicContact CG1-CD1 3.93Å; V355-D421 VanDerWaalsContact CG1-O 3.24Å; V355-D421 WeakPolarHBondContact CG1-O 3.28Å; V355-V423 HydrophobicContact CB-CG2 4.16Å; V355-V423 HydrophobicContact CG1-CG2 4.23Å; V355-V423 HydrophobicContact CG2-CG2 4.06Å
356	F	97.1	Very high	94.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-70.1	-33.6	-178.7	-74.4	-71.4	0	0	0	114.5	Y251 V272 R274 L294 A296 V352 E353 R385 L419	Y251-F356 HydrophobicContact CE1-CD2 4.25Å; Y251-F356 AromaticContact CE1-CE2 3.89Å; Y251-F356 HydrophobicContact CE1-CE2 3.89Å; V272-F356 HydrophobicContact CG1-CE2 4.22Å; V272-F356 HydrophobicContact CG1-CZ 4.27Å; V272-F356 HydrophobicContact CG2-CE2 4.31Å; V272-F356 HydrophobicContact CG2-CZ 4.48Å; R274-F356 HydrophobicContact CG-CD1 3.99Å; R274-F356 HydrophobicContact CG-CD2 4.5Å; R274-F356 HydrophobicContact CG-CE1 3.99Å; R274-F356 HydrophobicContact CG-CE2 4.49Å; R274-F356 HydrophobicContact CG-CG 4.27Å; R274-F356 HydrophobicContact CG-CZ 4.25Å; L294-F356 HydrophobicContact CB-CD1 3.76Å; L294-F356 HydrophobicContact CB-CE1 3.77Å; L294-F356 HydrophobicContact CD1-CD1 4.29Å; L294-F356 WeakPolarHBondContact O-CE1 3.3Å; A296-F356 HydrophobicContact CB-CZ 4.33Å; V352-F356 HydrophobicContact CG1-CD2 3.81Å; V352-F356 HydrophobicContact CG1-CE2 3.65Å; V352-F356 VanDerWaalsContact O-CD2 3.22Å; V352-F356 WeakPolarHBondContact O-CD2 3.31Å; V352-F356 PolarHBondContact O-N 3.36Å; V352-F356 VanDerWaalsContact O-N 3.15Å; E353-F356 PolarHBondContact O-N 3.22Å; F356-R385 PolarHBondContact O-NE 3.46Å; F356-R385 VanDerWaalsContact O-NE 3.11Å; F356-R385 PolarHBondContact O-NH2 2.89Å; F356-L419 HydrophobicContact CB-CD1 4.49Å; F356-L419 HydrophobicContact CD1-CD1 3.49Å; F356-L419 VanDerWaalsContact CD1-CD1 3.49Å; F356-L419 HydrophobicContact CE1-CD1 3.93Å; F356-L419 HydrophobicContact CG-CD1 4.16Å
357	S	94.6	Very high	93.6	Very high	53 Å²	53	46.3 Å²	46.3	37%	0.371	26%	0.255	S	S	.	.	H	α-helix	trans	-87.8	-30.3	-175.8	62.7	0	0	0	0	114.3	E353 E354 V355 R385	E353-S357 WeakPolarHBondContact O-CB 3.37Å; E353-S357 PolarHBondContact O-N 3.03Å; E353-S357 PolarHBondContact O-OG 2.76Å; E354-S357 PolarHBondContact O-N 2.86Å; E354-S357 PolarHBondContact O-OG 3.37Å; V355-S357 PolarHBondContact O-N 3.27Å; S357-R385 VanDerWaalsContact C-CZ 3.48Å; S357-R385 WeakPolarHBondContact O-CD 3.34Å; S357-R385 PolarHBondContact O-NE 2.92Å; S357-R385 PolarHBondContact O-NH1 3.13Å
358	K	96.1	Very high	91.6	Very high	140 Å²	140	55.2 Å²	55.2	61%	0.609	30%	0.297	S	S	*	.	H	α-helix	trans	-120.2	-28	-176.3	-55.7	-178.8	-162.5	166.3	0	114	E354 R385	E354-K358 HydrophobicContact CG-CD 4.21Å; E354-K358 WeakPolarHBondContact O-CB 3.41Å; E354-K358 PolarHBondContact O-N 3.01Å; E354-K358 WeakPolarHBondContact OE1-CD 3.14Å; E354-K358 WeakPolarHBondContact OE1-CE 3.42Å; E354-K358 IonicContact OE1-NZ 2.78Å; E354-K358 PolarHBondContact OE1-NZ 2.93Å; K358-R385 PolarHBondContact O-NH1 2.57Å
359	G	96.8	Very high	89.8	Confident	7 Å²	7	61 Å²	61	7%	0.072	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-55.7	155.3	-173.1	0	0	0	0	0	114.2	E354 V355 R385 D421	E354-G359 PolarHBondContact O-N 2.65Å; V355-G359 WeakPolarHBondContact O-CA 3.2Å; V355-G359 PolarHBondContact O-N 3.4Å; G359-R385 PolarHBondContact O-NH1 2.9Å; G359-R385 VanDerWaalsContact O-NH1 3.12Å; G359-R385 PolarHBondContact O-NH2 2.89Å; G359-D421 WeakPolarHBondContact CA-OD2 3.27Å
360	K	97.6	Very high	88.1	Confident	92 Å²	92	66.2 Å²	66.2	40%	0.4	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-79.9	154.4	178	-61.2	-63.9	-174.3	172.7	0	110.6	R376 L419 E420 D421	K360-R376 HydrophobicContact CB-CG 4.23Å; K360-L419 WeakPolarHBondContact O-CA 3.31Å; K360-E420 HydrophobicContact CB-CB 4.48Å; K360-E420 PolarHBondContact O-N 3.45Å; K360-D421 PolarHBondContact N-OD2 3.08Å
361	Y	98.4	Very high	87.1	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.016	37%	0.371	C	S	.	.	B	Isolated β-bridge	trans	-92.6	156.5	178.1	-57.9	-91.9	0	0	0	110.5	L294 Y377 P381 R385 P386 F412 H416 L419	L294-Y361 HydrophobicContact CD1-CE1 4.41Å; L294-Y361 HydrophobicContact CD2-CD1 4.37Å; L294-Y361 HydrophobicContact CD2-CE1 3.87Å; Y361-Y377 VanDerWaalsContact O-CB 3.27Å; Y361-Y377 WeakPolarHBondContact O-CB 3.21Å; Y361-Y377 PolarHBondContact O-N 2.97Å; Y361-P381 HydrophobicContact CD2-CB 4.44Å; Y361-P381 HydrophobicContact CE2-CB 3.99Å; Y361-P381 HydrophobicContact CE2-CG 4.4Å; Y361-R385 VanDerWaalsContact OH-CG 3.26Å; Y361-R385 WeakPolarHBondContact OH-CG 3.31Å; Y361-R385 PolarHBondContact OH-NE 2.9Å; Y361-P386 HydrophobicContact CE1-CB 4.49Å; Y361-P386 PolarHBondContact OH-O 3.44Å; Y361-F412 AromaticContact CD1-CE1 4Å; Y361-F412 HydrophobicContact CD1-CE1 4Å; Y361-F412 AromaticContact CD2-CE1 3.72Å; Y361-F412 HydrophobicContact CD2-CE1 3.72Å; Y361-F412 HydrophobicContact CD2-CZ 4.09Å; Y361-F412 HydrophobicContact CE1-CE1 4.27Å; Y361-F412 HydrophobicContact CE2-CE1 4.04Å; Y361-F412 AromaticContact CG-CE1 3.71Å; Y361-F412 HydrophobicContact CG-CE1 3.71Å; Y361-F412 HydrophobicContact CG-CZ 4.26Å; Y361-H416 HydrophobicContact CD1-CB 4.24Å; Y361-H416 WeakPolarHBondContact CD1-O 3.1Å; Y361-H416 HydrophobicContact CG-CB 4.44Å; Y361-L419 HydrophobicContact CD1-CD2 3.67Å; Y361-L419 HydrophobicContact CE1-CD2 3.82Å; Y361-L419 HydrophobicContact CG-CD2 4.23Å
362	M	96.8	Very high	86.3	Confident	20 Å²	20	71.9 Å²	71.9	10%	0.099	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	144.4	163.4	-61.6	-158.2	86.8	0	0	111.1	E260 W374 V375 H416 L418 E420	E260-M362 HydrophobicContact CB-CE 3.88Å; E260-M362 HydrophobicContact CB-SD 3.65Å; E260-M362 HydrophobicContact CG-SD 4.07Å; M362-W374 HydrophobicContact CB-CE3 3.74Å; M362-W374 HydrophobicContact CB-CZ3 4.33Å; M362-W374 HydrophobicContact CE-CB 3.91Å; M362-W374 HydrophobicContact SD-CB 4.4Å; M362-V375 CarbonylContact C-O 3.58Å; M362-V375 WeakPolarHBondContact CA-O 3.35Å; M362-H416 PolarHBondContact O-CD2 3.47Å; M362-L418 HydrophobicContact CB-CB 4.44Å; M362-L418 HydrophobicContact CB-CD2 4.3Å; M362-L418 HydrophobicContact CB-CG 4.24Å; M362-L418 HydrophobicContact CG-CD2 4.25Å; M362-L418 HydrophobicContact CG-CG 4.11Å; M362-L418 PolarHBondContact N-O 3.32Å; M362-L418 HydrophobicContact SD-CD2 3.66Å; M362-L418 HydrophobicContact SD-CG 4.05Å; M362-E420 HydrophobicContact CG-CB 3.64Å; M362-E420 HydrophobicContact CG-CG 4.35Å
363	Q	93.4	Very high	85.8	Confident	63 Å²	63	75.7 Å²	75.7	29%	0.294	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	138.3	179.9	166.9	88.2	82.5	0	0	108.7	A365 W374 V375 Y377 H416	Q363-A365 PolarHBondContact O-N 3.35Å; Q363-W374 WeakPolarHBondContact O-CA 3.48Å; Q363-V375 PolarHBondContact N-O 3.41Å; Q363-V375 PolarHBondContact O-N 3.08Å; Q363-Y377 HydrophobicContact CB-CD2 4.13Å; Q363-Y377 HydrophobicContact CG-CD2 4.39Å; Q363-H416 PolarHBondContact NE2-NE2 3.4Å; Q363-H416 PolarHBondContact OE1-NE2 2.84Å
364	K	89.8	Confident	85.6	Confident	90 Å²	90	76.2 Å²	76.2	39%	0.391	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	119.7	164.6	-68.5	176.4	-174.8	171	0	110.4	S223 T372 W374	S223-K364 WeakPolarHBondContact OG-CE 3.32Å; S223-K364 PolarHBondContact OG-NZ 2.91Å; K364-T372 HydrophobicContact CB-CG2 3.75Å; K364-T372 HydrophobicContact CD-CG2 4.09Å; K364-T372 HydrophobicContact CG-CG2 3.83Å; K364-W374 HydrophobicContact CD-CH2 4.42Å; K364-W374 HydrophobicContact CD-CZ2 4.15Å; K364-W374 HydrophobicContact CG-CD2 4.02Å; K364-W374 HydrophobicContact CG-CE3 4.17Å; K364-W374 HydrophobicContact CG-CH2 3.89Å; K364-W374 HydrophobicContact CG-CZ2 3.69Å; K364-W374 HydrophobicContact CG-CZ3 4.12Å
365	A	85.3	Confident	85.5	Confident	33 Å²	33	74.6 Å²	74.6	27%	0.273	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.9	167.9	0	0	0	0	0	109.6	Q363 V367 K373 V375	Q363-A365 PolarHBondContact O-N 3.35Å; A365-V367 PolarHBondContact O-N 3.47Å; A365-K373 PolarHBondContact N-O 3.18Å; A365-K373 PolarHBondContact O-N 2.85Å; A365-V375 HydrophobicContact CB-CG1 4.49Å; A365-V375 HydrophobicContact CB-CG2 3.81Å
366	T	80.5	Confident	85.3	Confident	124 Å²	124	78.8 Å²	78.8	76%	0.761	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	114.2	167.5	45.6	0	0	0	0	109
367	V	74.7	Confident	85.3	Confident	74 Å²	74	81.1 Å²	81.1	45%	0.448	41%	0.414	S	S	.	.			trans	-83	144	169.3	-176.1	0	0	0	0	108	A365 Q369 H371 K373	A365-V367 PolarHBondContact O-N 3.47Å; V367-Q369 PolarHBondContact O-N 3.48Å; V367-H371 PolarHBondContact N-O 2.87Å; V367-H371 VanDerWaalsContact N-O 3.09Å; V367-K373 HydrophobicContact CG2-CB 4.24Å; V367-K373 HydrophobicContact CG2-CD 4.09Å; V367-K373 HydrophobicContact CG2-CG 3.85Å
368	E	56.8	Low	85.2	Confident	189 Å²	189	84.8 Å²	84.8	88%	0.883	43%	0.43	S	S	*	.	S	Bend	trans	-54.6	132	-179	-64.1	-167.5	163.8	0	0	110.7
369	Q	57.8	Low	85.1	Confident	179 Å²	179	79.6 Å²	79.6	84%	0.836	42%	0.416	S	S	*	.	S	Bend	trans	71.6	56.7	-174.1	-49.2	-174.9	4.8	0	0	115.7	V367 H371	V367-Q369 PolarHBondContact O-N 3.48Å; Q369-H371 PolarHBondContact O-N 2.94Å
370	S	57.9	Low	85	Confident	111 Å²	111	86.7 Å²	86.7	78%	0.776	45%	0.45	S	S	*	.	S	Bend	trans	86.5	-9.2	149.6	77	0	0	0	0	120.9
371	H	73.7	Confident	84.9	Confident	124 Å²	124	84.4 Å²	84.4	57%	0.574	45%	0.445	S	S	*	.			trans	-92.7	125.5	175.6	-64.9	-76.2	0	0	0	112.5	V367 Q369	V367-H371 PolarHBondContact N-O 2.87Å; V367-H371 VanDerWaalsContact N-O 3.09Å; Q369-H371 PolarHBondContact O-N 2.94Å
372	T	79.4	Confident	84.8	Confident	75 Å²	75	84.9 Å²	84.9	46%	0.46	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	119.2	169.6	-62.1	0	0	0	0	108.8	K364	K364-T372 HydrophobicContact CB-CG2 3.75Å; K364-T372 HydrophobicContact CD-CG2 4.09Å; K364-T372 HydrophobicContact CG-CG2 3.83Å
373	K	86.3	Confident	84.7	Confident	80 Å²	80	89.1 Å²	89.1	35%	0.348	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	151.1	173.5	-60	-154.7	179.4	-145.9	0	110.6	E262 A365 V367	E262-K373 VanDerWaalsContact CD-NZ 3.31Å; E262-K373 WeakPolarHBondContact OE1-CE 3.47Å; E262-K373 IonicContact OE1-NZ 3.55Å; E262-K373 PolarHBondContact OE1-NZ 3.14Å; E262-K373 IonicContact OE2-NZ 2.64Å; E262-K373 PolarHBondContact OE2-NZ 3.37Å; A365-K373 PolarHBondContact N-O 3.18Å; A365-K373 PolarHBondContact O-N 2.85Å; V367-K373 HydrophobicContact CG2-CB 4.24Å; V367-K373 HydrophobicContact CG2-CD 4.09Å; V367-K373 HydrophobicContact CG2-CG 3.85Å
374	W	90.9	Very high	84.8	Confident	27 Å²	27	86.7 Å²	86.7	10%	0.102	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.2	172.6	-68.9	79.4	0	0	0	109.9	V259 E260 M362 Q363 K364	V259-W374 HydrophobicContact CG2-CD2 4.16Å; V259-W374 HydrophobicContact CG2-CG 4.3Å; V259-W374 HydrophobicContact CG2-CZ2 4.06Å; E260-W374 HydrophobicContact CB-CB 3.98Å; M362-W374 HydrophobicContact CB-CE3 3.74Å; M362-W374 HydrophobicContact CB-CZ3 4.33Å; M362-W374 HydrophobicContact CE-CB 3.91Å; M362-W374 HydrophobicContact SD-CB 4.4Å; Q363-W374 WeakPolarHBondContact O-CA 3.48Å; K364-W374 HydrophobicContact CD-CH2 4.42Å; K364-W374 HydrophobicContact CD-CZ2 4.15Å; K364-W374 HydrophobicContact CG-CD2 4.02Å; K364-W374 HydrophobicContact CG-CE3 4.17Å; K364-W374 HydrophobicContact CG-CH2 3.89Å; K364-W374 HydrophobicContact CG-CZ2 3.69Å; K364-W374 HydrophobicContact CG-CZ3 4.12Å
375	V	92.8	Very high	85.1	Confident	67 Å²	67	85.1 Å²	85.1	41%	0.406	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	161.3	-177.4	-62.4	0	0	0	0	110.4	M362 Q363 A365 Y377	M362-V375 CarbonylContact C-O 3.58Å; M362-V375 WeakPolarHBondContact CA-O 3.35Å; Q363-V375 PolarHBondContact N-O 3.41Å; Q363-V375 PolarHBondContact O-N 3.08Å; A365-V375 HydrophobicContact CB-CG1 4.49Å; A365-V375 HydrophobicContact CB-CG2 3.81Å; V375-Y377 PolarHBondContact O-N 3.43Å
376	R	95.1	Very high	85.8	Confident	102 Å²	102	83.5 Å²	83.5	39%	0.385	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	128.7	175.8	-166.6	177	-155.8	142.9	4.7	110.9	K360 N378 E420 D421	K360-R376 HydrophobicContact CB-CG 4.23Å; R376-N378 PolarHBondContact O-N 2.67Å; R376-E420 HydrophobicContact CB-CG 4.1Å; R376-E420 VanDerWaalsContact CD-OE1 3.26Å; R376-E420 WeakPolarHBondContact CD-OE1 3.44Å; R376-E420 HydrophobicContact CG-CB 4.41Å; R376-E420 HydrophobicContact CG-CG 3.91Å; R376-E420 IonicContact CZ-OE1 3.73Å; R376-E420 IonicContact CZ-OE2 2.68Å; R376-E420 VanDerWaalsContact NE-CD 3.26Å; R376-E420 IonicContact NE-OE1 2.69Å; R376-E420 PolarHBondContact NE-OE1 3.16Å; R376-E420 IonicContact NE-OE2 2.8Å; R376-E420 PolarHBondContact NE-OE2 2.96Å; R376-E420 IonicContact NH1-OE1 2.82Å; R376-E420 PolarHBondContact NH1-OE1 3.47Å; R376-E420 IonicContact NH1-OE2 3.46Å; R376-E420 PolarHBondContact NH1-OE2 3.3Å; R376-E420 IonicContact NH2-OE1 3.65Å; R376-E420 IonicContact NH2-OE2 3.63Å; R376-E420 PolarHBondContact NH2-OE2 2.87Å; R376-D421 IonicContact CZ-OD1 3.18Å; R376-D421 IonicContact NH2-OD1 2.75Å; R376-D421 PolarHBondContact NH2-OD1 2.88Å; R376-D421 IonicContact NH2-OD2 3.63Å
377	Y	95.8	Very high	86.5	Confident	49 Å²	49	77.8 Å²	77.8	19%	0.192	41%	0.414	C	S	.	.			trans	-77.7	106.5	170.9	-177.8	-98.5	0	0	0	110.2	Y361 Q363 V375 G379 F412	Y361-Y377 VanDerWaalsContact O-CB 3.27Å; Y361-Y377 WeakPolarHBondContact O-CB 3.21Å; Y361-Y377 PolarHBondContact O-N 2.97Å; Q363-Y377 HydrophobicContact CB-CD2 4.13Å; Q363-Y377 HydrophobicContact CG-CD2 4.39Å; V375-Y377 PolarHBondContact O-N 3.43Å; Y377-G379 VanDerWaalsContact CE1-CA 3.44Å; Y377-G379 WeakPolarHBondContact CE1-O 3.35Å; Y377-F412 HydrophobicContact CD1-CE2 4.21Å; Y377-F412 AromaticContact CD1-CZ 3.78Å; Y377-F412 HydrophobicContact CD1-CZ 3.78Å; Y377-F412 AromaticContact CE1-CE2 3.69Å; Y377-F412 HydrophobicContact CE1-CE2 3.69Å; Y377-F412 AromaticContact CE1-CZ 3.68Å; Y377-F412 HydrophobicContact CE1-CZ 3.68Å; Y377-F412 HydrophobicContact CE2-CE2 4.05Å; Y377-F412 HydrophobicContact CE2-CZ 4.45Å; Y377-F412 HydrophobicContact CG-CZ 4.19Å; Y377-F412 AromaticContact CZ-CE2 3.61Å
378	N	94	Very high	87.5	Confident	131 Å²	131	75.7 Å²	75.7	70%	0.701	40%	0.404	S	S	*	.			trans	-92.9	-2.6	-179.7	-67.9	-24.3	0	0	0	113.9	R376	R376-N378 PolarHBondContact O-N 2.67Å
379	G	93.4	Very high	89.4	Confident	30 Å²	30	67.6 Å²	67.6	31%	0.309	37%	0.368	S	S	.	.	S	Bend	trans	-72.6	177	175.8	0	0	0	0	0	113.2	Y377 P381	Y377-G379 VanDerWaalsContact CE1-CA 3.44Å; Y377-G379 WeakPolarHBondContact CE1-O 3.35Å; G379-P381 WeakPolarHBondContact O-CD 3.42Å
380	I	94.2	Very high	91.1	Very high	157 Å²	157	59.9 Å²	59.9	81%	0.805	33%	0.332	S	S	*	.			trans	-86.3	114.6	174.5	-57.8	174.9	0	0	0	108.2
381	P	95.4	Very high	92.7	Very high	44 Å²	44	56 Å²	56	29%	0.286	31%	0.306	S	S	.	.			trans	-65.1	153.7	176.9	28.3	-34.6	0	0	0	110.8	Y361 G379 F412	Y361-P381 HydrophobicContact CD2-CB 4.44Å; Y361-P381 HydrophobicContact CE2-CB 3.99Å; Y361-P381 HydrophobicContact CE2-CG 4.4Å; G379-P381 WeakPolarHBondContact O-CD 3.42Å; P381-F412 HydrophobicContact CB-CE1 4.45Å; P381-F412 HydrophobicContact CB-CZ 4.23Å
382	P	97.1	Very high	93.4	Very high	13 Å²	13	52.7 Å²	52.7	8%	0.084	29%	0.292	C	S	.	.			trans	-55.3	159.3	174.7	-26.3	35.1	0	0	0	113.9	P384 P386 K408 T409 F412	P382-P384 CarbonylContact C-O 3.55Å; P382-P384 CarbonylContact O-C 3.52Å; P382-P386 HydrophobicContact CB-CG 4.38Å; P382-P386 HydrophobicContact CG-CG 4.29Å; P382-K408 HydrophobicContact CB-CG 4.29Å; P382-K408 HydrophobicContact CG-CD 4.43Å; P382-K408 HydrophobicContact CG-CG 3.97Å; P382-T409 WeakPolarHBondContact CB-OG1 3.23Å; P382-F412 VanDerWaalsContact CD-CD2 3.42Å; P382-F412 HydrophobicContact CG-CB 3.78Å; P382-F412 HydrophobicContact CG-CD2 3.91Å; P382-F412 HydrophobicContact CG-CG 3.95Å
383	S	94.6	Very high	93.8	Very high	110 Å²	110	55.2 Å²	55.2	77%	0.769	30%	0.299	S	S	*	.	S	Bend	trans	-114.5	133.4	167.1	-172.5	0	0	0	0	109
384	P	95.7	Very high	94.1	Very high	11 Å²	11	52.7 Å²	52.7	7%	0.071	29%	0.289	C	S	.	.	S	Bend	cis	-65.4	160.6	-2.2	29.7	-36.4	0	0	0	113	P382 L394 I399 L405 T409	P382-P384 CarbonylContact C-O 3.55Å; P382-P384 CarbonylContact O-C 3.52Å; P384-L394 HydrophobicContact CB-CD1 3.88Å; P384-L394 HydrophobicContact CB-CD2 3.71Å; P384-L394 HydrophobicContact CB-CG 4.49Å; P384-I399 HydrophobicContact CG-CD1 3.97Å; P384-L405 HydrophobicContact CG-CD2 3.51Å; P384-T409 HydrophobicContact CG-CG2 4.44Å; P384-T409 WeakPolarHBondContact O-CG2 3.22Å; P384-T409 PolarHBondContact O-OG1 3.25Å; P384-T409 VanDerWaalsContact O-OG1 3.13Å
385	R	96.5	Very high	94.1	Very high	57 Å²	57	56.1 Å²	56.1	22%	0.215	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-55.8	124.3	-176.2	178	175.5	170.2	98.4	0.2	110.2	F356 S357 K358 G359 Y361 G387 A388	F356-R385 PolarHBondContact O-NE 3.46Å; F356-R385 VanDerWaalsContact O-NE 3.11Å; F356-R385 PolarHBondContact O-NH2 2.89Å; S357-R385 VanDerWaalsContact C-CZ 3.48Å; S357-R385 WeakPolarHBondContact O-CD 3.34Å; S357-R385 PolarHBondContact O-NE 2.92Å; S357-R385 PolarHBondContact O-NH1 3.13Å; K358-R385 PolarHBondContact O-NH1 2.57Å; G359-R385 PolarHBondContact O-NH1 2.9Å; G359-R385 VanDerWaalsContact O-NH1 3.12Å; G359-R385 PolarHBondContact O-NH2 2.89Å; Y361-R385 VanDerWaalsContact OH-CG 3.26Å; Y361-R385 WeakPolarHBondContact OH-CG 3.31Å; Y361-R385 PolarHBondContact OH-NE 2.9Å; R385-G387 PolarHBondContact O-N 3.39Å; R385-A388 HydrophobicContact CB-CB 4.06Å; R385-A388 HydrophobicContact CG-CB 4.44Å; R385-A388 VanDerWaalsContact O-CB 3.27Å; R385-A388 WeakPolarHBondContact O-CB 3.43Å; R385-A388 PolarHBondContact O-N 2.74Å
386	P	98.3	Very high	94	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	133.4	175.6	-22.8	31.8	0	0	0	111.8	Y361 P382 A388 T409 F412 V413	Y361-P386 HydrophobicContact CE1-CB 4.49Å; Y361-P386 PolarHBondContact OH-O 3.44Å; P382-P386 HydrophobicContact CB-CG 4.38Å; P382-P386 HydrophobicContact CG-CG 4.29Å; P386-A388 VanDerWaalsContact C-N 3.32Å; P386-A388 PolarHBondContact O-N 3.08Å; P386-T409 HydrophobicContact CB-CG2 4.27Å; P386-T409 HydrophobicContact CG-CG2 4.19Å; P386-F412 HydrophobicContact CB-CB 4.41Å; P386-F412 HydrophobicContact CB-CD1 3.7Å; P386-F412 HydrophobicContact CB-CE1 4.47Å; P386-F412 HydrophobicContact CB-CG 4.43Å; P386-F412 HydrophobicContact CG-CB 3.99Å; P386-F412 HydrophobicContact CG-CD1 3.41Å; P386-F412 VanDerWaalsContact CG-CD1 3.41Å; P386-F412 HydrophobicContact CG-CE1 4.1Å; P386-F412 HydrophobicContact CG-CG 3.87Å; P386-V413 HydrophobicContact CB-CB 3.88Å
387	G	96.9	Very high	93.8	Very high	4 Å²	4	61.3 Å²	61.3	4%	0.041	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	6.9	-178	0	0	0	0	0	116	R385	R385-G387 PolarHBondContact O-N 3.39Å
388	A	95.7	Very high	93.7	Very high	30 Å²	30	65.8 Å²	65.8	25%	0.248	35%	0.353	C	S	.	.			trans	-87.6	148.5	175.4	0	0	0	0	0	112.5	R385 P386	R385-A388 HydrophobicContact CB-CB 4.06Å; R385-A388 HydrophobicContact CG-CB 4.44Å; R385-A388 VanDerWaalsContact O-CB 3.27Å; R385-A388 WeakPolarHBondContact O-CB 3.43Å; R385-A388 PolarHBondContact O-N 2.74Å; P386-A388 VanDerWaalsContact C-N 3.32Å; P386-A388 PolarHBondContact O-N 3.08Å
389	C	95.1	Very high	93.8	Very high	18 Å²	18	60.5 Å²	60.5	12%	0.122	33%	0.325	C	S	.	.			trans	-73.4	157.5	175.7	-48.9	0	0	0	0	112.1	D247 C276 S391	D247-C389 HydrophobicContact CB-CB 3.84Å; C276-C389 HydrophobicContact CB-CB 3.78Å; C276-C389 WeakPolarHBondContact CB-SG 3.07Å; C276-C389 WeakPolarHBondContact SG-CA 3.47Å; C276-C389 WeakPolarHBondContact SG-CB 3.28Å; C276-C389 PolarHBondContact SG-N 3.28Å; C276-C389 VanDerWaalsContact SG-N 3.41Å; C276-C389 CovalentContact SG-SG 2.03Å; C276-C389 PolarHBondContact SG-SG 3.26Å; C389-S391 PolarHBondContact O-N 3.3Å; C389-S391 VanDerWaalsContact O-N 3.14Å
390	I	94.2	Very high	93.8	Very high	17 Å²	17	62.4 Å²	62.4	9%	0.087	33%	0.333	C	S	.	.			trans	-76.4	101.6	179.8	-53	-57	0	0	0	110.2	L394 R395 I399 L405	I390-L394 HydrophobicContact CD1-CD1 4.33Å; I390-L394 HydrophobicContact CG2-CB 4.36Å; I390-R395 HydrophobicContact CG2-CG 4.1Å; I390-R395 VanDerWaalsContact O-CZ 3.25Å; I390-R395 PolarHBondContact O-NH1 3.29Å; I390-R395 PolarHBondContact O-NH2 3Å; I390-I399 HydrophobicContact CD1-CG2 4.02Å; I390-I399 VanDerWaalsContact CG2-O 3.28Å; I390-I399 WeakPolarHBondContact CG2-O 3.02Å; I390-L405 HydrophobicContact CD1-CD1 4.33Å; I390-L405 HydrophobicContact CD1-CD2 3.94Å; I390-L405 HydrophobicContact CD1-CG 4.18Å
391	S	91	Very high	93.8	Very high	30 Å²	30	55.9 Å²	55.9	21%	0.21	30%	0.301	C	S	.	.			trans	-87.9	168.8	177	69.8	0	0	0	0	113	C389 Q393 L394 R395	C389-S391 PolarHBondContact O-N 3.3Å; C389-S391 VanDerWaalsContact O-N 3.14Å; S391-Q393 PolarHBondContact O-N 2.84Å; S391-L394 PolarHBondContact O-N 2.81Å; S391-R395 WeakPolarHBondContact O-CG 3.37Å; S391-R395 PolarHBondContact O-N 3.07Å
392	N	88.3	Confident	93.9	Very high	54 Å²	54	53.9 Å²	53.9	29%	0.289	29%	0.289	S	S	.	.	H	α-helix	trans	-59.3	-30.5	174.8	-74.1	-14.7	0	0	0	113.2	G243 D244 G245 L394 R395 Q396	G243-N392 PolarHBondContact O-ND2 3.1Å; D244-N392 VanDerWaalsContact C-ND2 3.31Å; D244-N392 WeakPolarHBondContact O-CB 3.23Å; D244-N392 PolarHBondContact O-N 3.09Å; D244-N392 PolarHBondContact O-ND2 3.4Å; G245-N392 PolarHBondContact N-ND2 3.3Å; N392-L394 VanDerWaalsContact C-N 3.35Å; N392-R395 PolarHBondContact O-N 3.31Å; N392-R395 PolarHBondContact OD1-NH1 2.9Å; N392-Q396 WeakPolarHBondContact O-CG 3.39Å; N392-Q396 PolarHBondContact O-N 2.86Å
393	Q	88.9	Confident	93.9	Very high	129 Å²	129	56.3 Å²	56.3	60%	0.603	30%	0.3	S	S	*	.	H	α-helix	trans	-63.4	-41.2	173.5	-171.8	-178.8	6.5	0	0	111.4	S391 Q396 H397	S391-Q393 PolarHBondContact O-N 2.84Å; Q393-Q396 PolarHBondContact O-N 3.18Å; Q393-H397 PolarHBondContact O-CD2 2.92Å; Q393-H397 PolarHBondContact O-N 2.92Å
394	L	91.3	Very high	94	Very high	27 Å²	27	56 Å²	56	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-37.5	176.1	-62.2	-174.2	0	0	0	111.8	P384 I390 S391 N392 Q396 H397 N398 I399	P384-L394 HydrophobicContact CB-CD1 3.88Å; P384-L394 HydrophobicContact CB-CD2 3.71Å; P384-L394 HydrophobicContact CB-CG 4.49Å; I390-L394 HydrophobicContact CD1-CD1 4.33Å; I390-L394 HydrophobicContact CG2-CB 4.36Å; S391-L394 PolarHBondContact O-N 2.81Å; N392-L394 VanDerWaalsContact C-N 3.35Å; L394-Q396 VanDerWaalsContact C-N 3.31Å; L394-Q396 PolarHBondContact O-N 2.81Å; L394-H397 CarbonylContact O-C 3.56Å; L394-H397 WeakPolarHBondContact O-CA 3.45Å; L394-H397 PolarHBondContact O-N 3.28Å; L394-N398 PolarHBondContact O-N 2.96Å; L394-I399 CarbonylContact C-O 3.41Å; L394-I399 VanDerWaalsContact C-O 3.3Å; L394-I399 HydrophobicContact CB-CB 4.24Å; L394-I399 PolarHBondContact O-N 3.16Å
395	R	91.8	Very high	94.1	Very high	99 Å²	99	56.2 Å²	56.2	37%	0.374	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-39.7	173.1	-63.5	175.6	-177.2	111.8	8.2	112	G245 I390 S391 N392 H397 N398 I399	G245-R395 PolarHBondContact O-NH1 2.75Å; I390-R395 HydrophobicContact CG2-CG 4.1Å; I390-R395 VanDerWaalsContact O-CZ 3.25Å; I390-R395 PolarHBondContact O-NH1 3.29Å; I390-R395 PolarHBondContact O-NH2 3Å; S391-R395 WeakPolarHBondContact O-CG 3.37Å; S391-R395 PolarHBondContact O-N 3.07Å; N392-R395 PolarHBondContact O-N 3.31Å; N392-R395 PolarHBondContact OD1-NH1 2.9Å; R395-H397 PolarHBondContact O-N 3.43Å; R395-N398 PolarHBondContact O-N 2.68Å; R395-I399 WeakPolarHBondContact CA-O 3.29Å; R395-I399 PolarHBondContact N-O 2.84Å
396	Q	91.1	Very high	94.1	Very high	154 Å²	154	56.1 Å²	56.1	72%	0.72	29%	0.294	S	S	*	.	H	α-helix	trans	-65.8	-24.6	174	-71.7	170.7	5.6	0	0	113.4	N392 Q393 L394 N398	N392-Q396 WeakPolarHBondContact O-CG 3.39Å; N392-Q396 PolarHBondContact O-N 2.86Å; Q393-Q396 PolarHBondContact O-N 3.18Å; L394-Q396 VanDerWaalsContact C-N 3.31Å; L394-Q396 PolarHBondContact O-N 2.81Å; Q396-N398 VanDerWaalsContact C-N 3.32Å
397	H	91.3	Very high	94.1	Very high	123 Å²	123	58.9 Å²	58.9	57%	0.569	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	26.7	173.6	-67.8	-61.4	0	0	0	113.1	Q393 L394 R395 I399	Q393-H397 PolarHBondContact O-CD2 2.92Å; Q393-H397 PolarHBondContact O-N 2.92Å; L394-H397 CarbonylContact O-C 3.56Å; L394-H397 WeakPolarHBondContact O-CA 3.45Å; L394-H397 PolarHBondContact O-N 3.28Å; R395-H397 PolarHBondContact O-N 3.43Å; H397-I399 PolarHBondContact O-N 3.08Å
398	N	93.8	Very high	94.1	Very high	143 Å²	143	66.1 Å²	66.1	77%	0.765	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	10.9	-179.8	-58.7	-40.9	0	0	0	116	L394 R395 Q396 S400	L394-N398 PolarHBondContact O-N 2.96Å; R395-N398 PolarHBondContact O-N 2.68Å; Q396-N398 VanDerWaalsContact C-N 3.32Å; N398-S400 PolarHBondContact O-N 3.26Å
399	I	94.8	Very high	94.3	Very high	21 Å²	21	64.9 Å²	64.9	11%	0.108	33%	0.328	C	S	.	.			trans	-95.2	84.3	172.7	-55.7	178	0	0	0	107.9	P384 I390 L394 R395 H397 H404 L405	P384-I399 HydrophobicContact CG-CD1 3.97Å; I390-I399 HydrophobicContact CD1-CG2 4.02Å; I390-I399 VanDerWaalsContact CG2-O 3.28Å; I390-I399 WeakPolarHBondContact CG2-O 3.02Å; L394-I399 CarbonylContact C-O 3.41Å; L394-I399 VanDerWaalsContact C-O 3.3Å; L394-I399 HydrophobicContact CB-CB 4.24Å; L394-I399 PolarHBondContact O-N 3.16Å; R395-I399 WeakPolarHBondContact CA-O 3.29Å; R395-I399 PolarHBondContact N-O 2.84Å; H397-I399 PolarHBondContact O-N 3.08Å; I399-H404 HydrophobicContact CG2-CB 4.34Å; I399-L405 HydrophobicContact CG2-CD2 3.93Å; I399-L405 HydrophobicContact CG2-CG 4.37Å
400	S	93.3	Very high	94.4	Very high	69 Å²	69	64.1 Å²	64.1	48%	0.483	32%	0.323	S	S	.	.			trans	-83.1	-18.8	-176.3	58.6	0	0	0	0	115.2	N398 H404	N398-S400 PolarHBondContact O-N 3.26Å; S400-H404 PolarHBondContact OG-CE1 3.37Å; S400-H404 VanDerWaalsContact OG-CE1 3.26Å; S400-H404 PolarHBondContact OG-ND1 2.92Å
401	S	94.8	Very high	94.6	Very high	21 Å²	21	66.3 Å²	66.3	15%	0.147	33%	0.333	C	S	.	.	S	Bend	trans	-153.2	171.3	179.5	72.5	0	0	0	0	110.7	L403 H404	S401-L403 PolarHBondContact O-N 2.85Å; S401-L403 PolarHBondContact OG-N 2.03Å; S401-H404 PolarHBondContact O-N 2.83Å; S401-H404 VanDerWaalsContact O-N 3.15Å
402	S	96.7	Very high	95	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.014	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-60.4	-27.6	176.6	59.8	0	0	0	0	113.7	D279 L280 G281 T291 H404 L405	D279-S402 WeakPolarHBondContact OD1-CB 3.39Å; D279-S402 PolarHBondContact OD1-OG 3.41Å; L280-S402 WeakPolarHBondContact CA-OG 3.24Å; L280-S402 WeakPolarHBondContact CB-OG 3.39Å; L280-S402 PolarHBondContact N-OG 2.92Å; G281-S402 PolarHBondContact N-OG 3.3Å; G281-S402 CarbonylContact O-C 3.56Å; G281-S402 VanDerWaalsContact O-CB 3.31Å; G281-S402 WeakPolarHBondContact O-CB 3.33Å; G281-S402 PolarHBondContact O-OG 3.26Å; T291-S402 VanDerWaalsContact OG1-CB 3.29Å; T291-S402 WeakPolarHBondContact OG1-CB 3.41Å; S402-H404 PolarHBondContact O-N 3Å; S402-L405 VanDerWaalsContact O-CB 3.29Å; S402-L405 WeakPolarHBondContact O-CB 3.26Å; S402-L405 WeakPolarHBondContact O-CG 3.15Å; S402-L405 PolarHBondContact O-N 2.8Å; S402-L405 VanDerWaalsContact O-N 3.13Å
403	L	96.9	Very high	95.4	Very high	64 Å²	64	63.1 Å²	63.1	34%	0.335	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-62.1	-31.4	177.5	-61.8	169.6	0	0	0	111.7	L280 G281 E283 S401 L405	L280-L403 HydrophobicContact CB-CD1 4.36Å; L280-L403 HydrophobicContact CB-CD2 4.47Å; L280-L403 HydrophobicContact CB-CG 4.14Å; L280-L403 HydrophobicContact CD1-CD1 4.12Å; G281-L403 WeakPolarHBondContact O-CD2 3.38Å; G281-L403 PolarHBondContact O-N 3.49Å; E283-L403 WeakPolarHBondContact CB-O 3.4Å; S401-L403 PolarHBondContact O-N 2.85Å; S401-L403 PolarHBondContact OG-N 2.03Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-L405 PolarHBondContact O-N 3.2Å
404	H	97.3	Very high	95.9	Very high	102 Å²	102	61.2 Å²	61.2	47%	0.472	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-87.5	8.1	179.2	-57.5	135.2	0	0	0	113.7	I399 S400 S401 S402	I399-H404 HydrophobicContact CG2-CB 4.34Å; S400-H404 PolarHBondContact OG-CE1 3.37Å; S400-H404 VanDerWaalsContact OG-CE1 3.26Å; S400-H404 PolarHBondContact OG-ND1 2.92Å; S401-H404 PolarHBondContact O-N 2.83Å; S401-H404 VanDerWaalsContact O-N 3.15Å; S402-H404 PolarHBondContact O-N 3Å
405	L	98	Very high	96.1	Very high	17 Å²	17	62.9 Å²	62.9	9%	0.089	31%	0.309	C	S	.	.	S	Bend	trans	-71.5	139	176.6	-72.6	169.1	0	0	0	111.1	P384 I390 I399 S402 L403 D407 L410	P384-L405 HydrophobicContact CG-CD2 3.51Å; I390-L405 HydrophobicContact CD1-CD1 4.33Å; I390-L405 HydrophobicContact CD1-CD2 3.94Å; I390-L405 HydrophobicContact CD1-CG 4.18Å; I399-L405 HydrophobicContact CG2-CD2 3.93Å; I399-L405 HydrophobicContact CG2-CG 4.37Å; S402-L405 VanDerWaalsContact O-CB 3.29Å; S402-L405 WeakPolarHBondContact O-CB 3.26Å; S402-L405 WeakPolarHBondContact O-CG 3.15Å; S402-L405 PolarHBondContact O-N 2.8Å; S402-L405 VanDerWaalsContact O-N 3.13Å; L403-L405 VanDerWaalsContact C-N 3.31Å; L403-L405 PolarHBondContact O-N 3.2Å; L405-D407 PolarHBondContact O-N 2.97Å; L405-L410 HydrophobicContact CB-CD1 4.28Å; L405-L410 HydrophobicContact CB-CD2 3.8Å; L405-L410 HydrophobicContact CB-CG 3.95Å; L405-L410 HydrophobicContact CD1-CD2 3.86Å; L405-L410 HydrophobicContact CG-CD2 4.5Å
406	P	97.8	Very high	96.4	Very high	54 Å²	54	58.7 Å²	58.7	35%	0.351	29%	0.294	S	S	.	.			trans	-59.2	136.8	176.3	-24.1	33.7	0	0	0	112.3	K408 T409 L410	P406-K408 PolarHBondContact O-N 3.19Å; P406-T409 WeakPolarHBondContact O-CA 3.4Å; P406-T409 WeakPolarHBondContact O-CB 3.41Å; P406-T409 PolarHBondContact O-N 3.48Å; P406-L410 PolarHBondContact O-N 3.38Å; P406-L410 VanDerWaalsContact O-N 3.16Å
407	D	97.4	Very high	96.7	Very high	58 Å²	58	51.4 Å²	51.4	31%	0.31	26%	0.26	S	S	.	.	H	α-helix	trans	-51.4	-32.5	177.4	-83.6	-54.6	0	0	0	112.6	R284 T285 L405 T409 L410 Q411	R284-D407 IonicContact NH1-OD2 3.3Å; R284-D407 PolarHBondContact NH1-OD2 2.91Å; T285-D407 WeakPolarHBondContact CB-OD1 3.5Å; T285-D407 PolarHBondContact N-OD1 3.36Å; T285-D407 PolarHBondContact OG1-OD1 3.01Å; L405-D407 PolarHBondContact O-N 2.97Å; D407-T409 PolarHBondContact O-N 3.14Å; D407-L410 PolarHBondContact O-N 3.44Å; D407-Q411 WeakPolarHBondContact O-CB 3.3Å; D407-Q411 PolarHBondContact O-N 2.65Å
408	K	97.4	Very high	97.1	Very high	156 Å²	156	45.5 Å²	45.5	68%	0.678	23%	0.232	S	C	*	.	H	α-helix	trans	-62.6	-38.3	175	-173	-179.3	178.3	-177.6	0	113.1	P382 P406 F412	P382-K408 HydrophobicContact CB-CG 4.29Å; P382-K408 HydrophobicContact CG-CD 4.43Å; P382-K408 HydrophobicContact CG-CG 3.97Å; P406-K408 PolarHBondContact O-N 3.19Å; K408-F412 WeakPolarHBondContact O-CB 3.45Å; K408-F412 PolarHBondContact O-N 2.04Å
409	T	98.3	Very high	97.3	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.025	20%	0.197	C	C	.	.	H	α-helix	trans	-72.4	-42.8	176.2	-66.5	0	0	0	0	110.6	P382 P384 P386 P406 D407 F412 V413	P382-T409 WeakPolarHBondContact CB-OG1 3.23Å; P384-T409 HydrophobicContact CG-CG2 4.44Å; P384-T409 WeakPolarHBondContact O-CG2 3.22Å; P384-T409 PolarHBondContact O-OG1 3.25Å; P384-T409 VanDerWaalsContact O-OG1 3.13Å; P386-T409 HydrophobicContact CB-CG2 4.27Å; P386-T409 HydrophobicContact CG-CG2 4.19Å; P406-T409 WeakPolarHBondContact O-CA 3.4Å; P406-T409 WeakPolarHBondContact O-CB 3.41Å; P406-T409 PolarHBondContact O-N 3.48Å; D407-T409 PolarHBondContact O-N 3.14Å; T409-F412 PolarHBondContact O-N 3.15Å; T409-V413 PolarHBondContact O-N 3.32Å
410	L	98.6	Very high	97.4	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	20%	0.204	C	C	.	.	H	α-helix	trans	-64.3	-44.6	178.4	-63.8	177.6	0	0	0	112.3	T285 L286 T291 L405 P406 D407 F412 V413 R414	T285-L410 HydrophobicContact CG2-CB 3.77Å; L286-L410 HydrophobicContact CD1-CB 4.33Å; L286-L410 HydrophobicContact CD1-CD2 4.44Å; L286-L410 WeakPolarHBondContact CD1-O 3.31Å; T291-L410 HydrophobicContact CG2-CD2 3.42Å; T291-L410 VanDerWaalsContact CG2-CD2 3.42Å; L405-L410 HydrophobicContact CB-CD1 4.28Å; L405-L410 HydrophobicContact CB-CD2 3.8Å; L405-L410 HydrophobicContact CB-CG 3.95Å; L405-L410 HydrophobicContact CD1-CD2 3.86Å; L405-L410 HydrophobicContact CG-CD2 4.5Å; P406-L410 PolarHBondContact O-N 3.38Å; P406-L410 VanDerWaalsContact O-N 3.16Å; D407-L410 PolarHBondContact O-N 3.44Å; L410-F412 VanDerWaalsContact C-N 3.3Å; L410-F412 PolarHBondContact O-N 3.23Å; L410-V413 VanDerWaalsContact O-CG1 3.3Å; L410-V413 WeakPolarHBondContact O-CG1 3.05Å; L410-R414 WeakPolarHBondContact O-CB 3.46Å; L410-R414 PolarHBondContact O-N 2.89Å; L410-R414 VanDerWaalsContact O-N 3.11Å
411	Q	98.2	Very high	97.6	Very high	63 Å²	63	39.4 Å²	39.4	29%	0.294	19%	0.193	S	C	.	.	H	α-helix	trans	-62.1	-39	174.9	-176.3	57.9	47.1	0	0	111.4	D407 R414 D415	D407-Q411 WeakPolarHBondContact O-CB 3.3Å; D407-Q411 PolarHBondContact O-N 2.65Å; Q411-R414 VanDerWaalsContact NE2-CZ 3.26Å; Q411-D415 VanDerWaalsContact NE2-CG 3.28Å; Q411-D415 PolarHBondContact NE2-OD1 3.49Å; Q411-D415 PolarHBondContact NE2-OD2 3.45Å; Q411-D415 PolarHBondContact O-N 3.39Å
412	F	98.4	Very high	97.7	Very high	17 Å²	17	40.8 Å²	40.8	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-66	-50.9	178.4	-168.6	-76.9	0	0	0	112.2	Y361 Y377 P381 P382 P386 K408 T409 L410 R414 D415 H416	Y361-F412 AromaticContact CD1-CE1 4Å; Y361-F412 HydrophobicContact CD1-CE1 4Å; Y361-F412 AromaticContact CD2-CE1 3.72Å; Y361-F412 HydrophobicContact CD2-CE1 3.72Å; Y361-F412 HydrophobicContact CD2-CZ 4.09Å; Y361-F412 HydrophobicContact CE1-CE1 4.27Å; Y361-F412 HydrophobicContact CE2-CE1 4.04Å; Y361-F412 AromaticContact CG-CE1 3.71Å; Y361-F412 HydrophobicContact CG-CE1 3.71Å; Y361-F412 HydrophobicContact CG-CZ 4.26Å; Y377-F412 HydrophobicContact CD1-CE2 4.21Å; Y377-F412 AromaticContact CD1-CZ 3.78Å; Y377-F412 HydrophobicContact CD1-CZ 3.78Å; Y377-F412 AromaticContact CE1-CE2 3.69Å; Y377-F412 HydrophobicContact CE1-CE2 3.69Å; Y377-F412 AromaticContact CE1-CZ 3.68Å; Y377-F412 HydrophobicContact CE1-CZ 3.68Å; Y377-F412 HydrophobicContact CE2-CE2 4.05Å; Y377-F412 HydrophobicContact CE2-CZ 4.45Å; Y377-F412 HydrophobicContact CG-CZ 4.19Å; Y377-F412 AromaticContact CZ-CE2 3.61Å; P381-F412 HydrophobicContact CB-CE1 4.45Å; P381-F412 HydrophobicContact CB-CZ 4.23Å; P382-F412 VanDerWaalsContact CD-CD2 3.42Å; P382-F412 HydrophobicContact CG-CB 3.78Å; P382-F412 HydrophobicContact CG-CD2 3.91Å; P382-F412 HydrophobicContact CG-CG 3.95Å; P386-F412 HydrophobicContact CB-CB 4.41Å; P386-F412 HydrophobicContact CB-CD1 3.7Å; P386-F412 HydrophobicContact CB-CE1 4.47Å; P386-F412 HydrophobicContact CB-CG 4.43Å; P386-F412 HydrophobicContact CG-CB 3.99Å; P386-F412 HydrophobicContact CG-CD1 3.41Å; P386-F412 VanDerWaalsContact CG-CD1 3.41Å; P386-F412 HydrophobicContact CG-CE1 4.1Å; P386-F412 HydrophobicContact CG-CG 3.87Å; K408-F412 WeakPolarHBondContact O-CB 3.45Å; K408-F412 PolarHBondContact O-N 2.04Å; T409-F412 PolarHBondContact O-N 3.15Å; L410-F412 VanDerWaalsContact C-N 3.3Å; L410-F412 PolarHBondContact O-N 3.23Å; F412-R414 VanDerWaalsContact C-N 3.25Å; F412-R414 PolarHBondContact O-N 2.63Å; F412-D415 PolarHBondContact O-N 3.06Å; F412-H416 HydrophobicContact CD1-CB 4.02Å; F412-H416 AromaticContact CD1-ND1 3.77Å; F412-H416 AromaticContact CD2-CE1 3.96Å; F412-H416 AromaticContact CD2-ND1 3.9Å; F412-H416 HydrophobicContact CE1-CB 3.73Å; F412-H416 AromaticContact CE1-CG 3.72Å; F412-H416 AromaticContact CE1-ND1 3.89Å; F412-H416 AromaticContact CE2-CE1 3.91Å; F412-H416 AromaticContact CG-ND1 3.8Å; F412-H416 HydrophobicContact CZ-CB 4.35Å; F412-H416 AromaticContact CZ-CG 3.89Å; F412-H416 AromaticContact CZ-ND1 4Å; F412-H416 WeakPolarHBondContact O-CB 3.43Å; F412-H416 PolarHBondContact O-N 3.31Å; F412-H416 PolarHBondContact O-ND1 3.16Å
413	V	98.3	Very high	97.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-62.3	-34.7	179.3	65	0	0	0	0	111.7	L286 L294 P386 T409 L410 D415 H416	L286-V413 HydrophobicContact CD1-CG1 3.76Å; L294-V413 HydrophobicContact CD2-CG2 4.07Å; P386-V413 HydrophobicContact CB-CB 3.88Å; T409-V413 PolarHBondContact O-N 3.32Å; L410-V413 VanDerWaalsContact O-CG1 3.3Å; L410-V413 WeakPolarHBondContact O-CG1 3.05Å; V413-D415 VanDerWaalsContact C-N 3.32Å; V413-D415 PolarHBondContact O-N 2.82Å; V413-H416 CarbonylContact O-C 3.51Å; V413-H416 PolarHBondContact O-N 3.34Å
414	R	98	Very high	97.8	Very high	88 Å²	88	41.4 Å²	41.4	33%	0.332	21%	0.205	S	C	.	.	H	α-helix	trans	-58.2	-43.2	175.8	-169	-171.8	77.9	176.7	12.2	112.9	E219 W224 L286 L410 Q411 F412	E219-R414 HydrophobicContact CG-CG 4.09Å; W224-R414 HydrophobicContact CZ2-CG 4.38Å; W224-R414 PolarHBondContact NE1-O 3.48Å; L286-R414 HydrophobicContact CD1-CB 4.17Å; L286-R414 HydrophobicContact CD2-CB 4.18Å; L286-R414 HydrophobicContact CD2-CG 3.94Å; L286-R414 HydrophobicContact CG-CB 4.3Å; L286-R414 HydrophobicContact CG-CG 4.48Å; L410-R414 WeakPolarHBondContact O-CB 3.46Å; L410-R414 PolarHBondContact O-N 2.89Å; L410-R414 VanDerWaalsContact O-N 3.11Å; Q411-R414 VanDerWaalsContact NE2-CZ 3.26Å; F412-R414 VanDerWaalsContact C-N 3.25Å; F412-R414 PolarHBondContact O-N 2.63Å
415	D	96.8	Very high	97.8	Very high	63 Å²	63	36.8 Å²	36.8	34%	0.337	18%	0.184	S	C	.	.	H	α-helix	trans	-90.6	-16.8	-175.1	-58.2	-16.8	0	0	0	112.5	Q411 F412 V413 P417	Q411-D415 VanDerWaalsContact NE2-CG 3.28Å; Q411-D415 PolarHBondContact NE2-OD1 3.49Å; Q411-D415 PolarHBondContact NE2-OD2 3.45Å; Q411-D415 PolarHBondContact O-N 3.39Å; F412-D415 PolarHBondContact O-N 3.06Å; V413-D415 VanDerWaalsContact C-N 3.32Å; V413-D415 PolarHBondContact O-N 2.82Å; D415-P417 VanDerWaalsContact C-CD 3.41Å
416	H	97.6	Very high	97.6	Very high	11 Å²	11	38.7 Å²	38.7	5%	0.051	19%	0.193	C	C	.	.			trans	-127.6	54.9	-176.3	-49.7	78.8	0	0	0	113.5	Y361 M362 Q363 F412 V413 L418	Y361-H416 HydrophobicContact CD1-CB 4.24Å; Y361-H416 WeakPolarHBondContact CD1-O 3.1Å; Y361-H416 HydrophobicContact CG-CB 4.44Å; M362-H416 PolarHBondContact O-CD2 3.47Å; Q363-H416 PolarHBondContact NE2-NE2 3.4Å; Q363-H416 PolarHBondContact OE1-NE2 2.84Å; F412-H416 HydrophobicContact CD1-CB 4.02Å; F412-H416 AromaticContact CD1-ND1 3.77Å; F412-H416 AromaticContact CD2-CE1 3.96Å; F412-H416 AromaticContact CD2-ND1 3.9Å; F412-H416 HydrophobicContact CE1-CB 3.73Å; F412-H416 AromaticContact CE1-CG 3.72Å; F412-H416 AromaticContact CE1-ND1 3.89Å; F412-H416 AromaticContact CE2-CE1 3.91Å; F412-H416 AromaticContact CG-ND1 3.8Å; F412-H416 HydrophobicContact CZ-CB 4.35Å; F412-H416 AromaticContact CZ-CG 3.89Å; F412-H416 AromaticContact CZ-ND1 4Å; F412-H416 WeakPolarHBondContact O-CB 3.43Å; F412-H416 PolarHBondContact O-N 3.31Å; F412-H416 PolarHBondContact O-ND1 3.16Å; V413-H416 CarbonylContact O-C 3.51Å; V413-H416 PolarHBondContact O-N 3.34Å; H416-L418 VanDerWaalsContact C-N 3.27Å; H416-L418 PolarHBondContact O-N 3.18Å
417	P	97.9	Very high	97.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.2	C	C	.	.			trans	-73.8	-16	-179.9	32.8	-39.2	0	0	0	113.7	S223 W224 F293 L294 K295 D415	S223-P417 VanDerWaalsContact O-CG 3.26Å; S223-P417 WeakPolarHBondContact O-CG 3.39Å; W224-P417 HydrophobicContact CD2-CB 4.46Å; W224-P417 HydrophobicContact CG-CB 4.37Å; W224-P417 HydrophobicContact CG-CG 4.18Å; F293-P417 HydrophobicContact CD1-CB 3.93Å; F293-P417 HydrophobicContact CE1-CB 4.04Å; L294-P417 CarbonylContact C-O 3.52Å; L294-P417 WeakPolarHBondContact CA-O 3.48Å; K295-P417 PolarHBondContact N-O 2.56Å; D415-P417 VanDerWaalsContact C-CD 3.41Å
418	L	98.5	Very high	97.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-97.1	129.3	-177.5	177.2	61	0	0	0	110.9	V259 E260 K295 M362 H416	V259-L418 HydrophobicContact CG2-CD2 3.86Å; E260-L418 HydrophobicContact CB-CD2 4.34Å; K295-L418 HydrophobicContact CG-CB 4.49Å; K295-L418 HydrophobicContact CG-CD1 3.99Å; M362-L418 HydrophobicContact CB-CB 4.44Å; M362-L418 HydrophobicContact CB-CD2 4.3Å; M362-L418 HydrophobicContact CB-CG 4.24Å; M362-L418 HydrophobicContact CG-CD2 4.25Å; M362-L418 HydrophobicContact CG-CG 4.11Å; M362-L418 PolarHBondContact N-O 3.32Å; M362-L418 HydrophobicContact SD-CD2 3.66Å; M362-L418 HydrophobicContact SD-CG 4.05Å; H416-L418 VanDerWaalsContact C-N 3.27Å; H416-L418 PolarHBondContact O-N 3.18Å
419	L	98.5	Very high	96.9	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.016	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-87.7	146.7	170.7	-61	175.2	0	0	0	111.1	K295 A296 V355 F356 K360 Y361	K295-L419 PolarHBondContact O-N 2.8Å; A296-L419 HydrophobicContact CB-CB 4.26Å; A296-L419 HydrophobicContact CB-CD1 4.39Å; V355-L419 HydrophobicContact CG1-CB 4.49Å; V355-L419 HydrophobicContact CG1-CD1 3.93Å; F356-L419 HydrophobicContact CB-CD1 4.49Å; F356-L419 HydrophobicContact CD1-CD1 3.49Å; F356-L419 VanDerWaalsContact CD1-CD1 3.49Å; F356-L419 HydrophobicContact CE1-CD1 3.93Å; F356-L419 HydrophobicContact CG-CD1 4.16Å; K360-L419 WeakPolarHBondContact O-CA 3.31Å; Y361-L419 HydrophobicContact CD1-CD2 3.67Å; Y361-L419 HydrophobicContact CE1-CD2 3.82Å; Y361-L419 HydrophobicContact CG-CD2 4.23Å
420	E	96.9	Very high	96.6	Very high	54 Å²	54	36.6 Å²	36.6	25%	0.252	19%	0.193	S	C	.	.	S	Bend	trans	-86.7	-41.1	-178.8	176.9	-100.7	-172.2	0	0	112.3	K360 M362 R376	K360-E420 HydrophobicContact CB-CB 4.48Å; K360-E420 PolarHBondContact O-N 3.45Å; M362-E420 HydrophobicContact CG-CB 3.64Å; M362-E420 HydrophobicContact CG-CG 4.35Å; R376-E420 HydrophobicContact CB-CG 4.1Å; R376-E420 VanDerWaalsContact CD-OE1 3.26Å; R376-E420 WeakPolarHBondContact CD-OE1 3.44Å; R376-E420 HydrophobicContact CG-CB 4.41Å; R376-E420 HydrophobicContact CG-CG 3.91Å; R376-E420 IonicContact CZ-OE1 3.73Å; R376-E420 IonicContact CZ-OE2 2.68Å; R376-E420 VanDerWaalsContact NE-CD 3.26Å; R376-E420 IonicContact NE-OE1 2.69Å; R376-E420 PolarHBondContact NE-OE1 3.16Å; R376-E420 IonicContact NE-OE2 2.8Å; R376-E420 PolarHBondContact NE-OE2 2.96Å; R376-E420 IonicContact NH1-OE1 2.82Å; R376-E420 PolarHBondContact NH1-OE1 3.47Å; R376-E420 IonicContact NH1-OE2 3.46Å; R376-E420 PolarHBondContact NH1-OE2 3.3Å; R376-E420 IonicContact NH2-OE1 3.65Å; R376-E420 IonicContact NH2-OE2 3.63Å; R376-E420 PolarHBondContact NH2-OE2 2.87Å
421	D	97.4	Very high	96.3	Very high	47 Å²	47	38.6 Å²	38.6	25%	0.251	20%	0.2	S	C	.	.	S	Bend	trans	-69.4	126.2	177	-58.2	-73.8	0	0	0	110.2	V355 G359 K360 R376	V355-D421 VanDerWaalsContact CG1-O 3.24Å; V355-D421 WeakPolarHBondContact CG1-O 3.28Å; G359-D421 WeakPolarHBondContact CA-OD2 3.27Å; K360-D421 PolarHBondContact N-OD2 3.08Å; R376-D421 IonicContact CZ-OD1 3.18Å; R376-D421 IonicContact NH2-OD1 2.75Å; R376-D421 PolarHBondContact NH2-OD1 2.88Å; R376-D421 IonicContact NH2-OD2 3.63Å
422	P	97.4	Very high	96	Very high	51 Å²	51	36 Å²	36	33%	0.331	19%	0.188	S	C	.	.			trans	-82.5	154.4	-179.6	32.8	-35.1	0	0	0	112.7	K297 V299 L424	K297-P422 HydrophobicContact CB-CB 4.22Å; V299-P422 HydrophobicContact CG2-CB 3.71Å; P422-L424 HydrophobicContact CB-CD2 4.4Å; P422-L424 HydrophobicContact CG-CD2 4.06Å; P422-L424 HydrophobicContact CG-CG 4.49Å
423	V	98.4	Very high	95.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-83.5	115	165.5	179.2	0	0	0	0	108.8	V272 A296 K297 L298 V299 Y347 V352 V355	V272-V423 HydrophobicContact CG1-CB 4.43Å; V272-V423 HydrophobicContact CG1-CG2 3.85Å; A296-V423 HydrophobicContact CB-CG2 4.23Å; K297-V423 PolarHBondContact O-N 2.83Å; L298-V423 HydrophobicContact CD1-CB 3.9Å; L298-V423 HydrophobicContact CD1-CG1 3.67Å; V299-V423 PolarHBondContact N-O 2.64Å; Y347-V423 HydrophobicContact CD1-CG1 3.78Å; Y347-V423 HydrophobicContact CE1-CG1 4.48Å; Y347-V423 HydrophobicContact CG-CG1 4.36Å; V352-V423 HydrophobicContact CG2-CG1 3.82Å; V355-V423 HydrophobicContact CB-CG2 4.16Å; V355-V423 HydrophobicContact CG1-CG2 4.23Å; V355-V423 HydrophobicContact CG2-CG2 4.06Å
424	L	97.6	Very high	95.3	Very high	78 Å²	78	36.3 Å²	36.3	41%	0.408	19%	0.19	S	C	.	.	P	Polyproline II helix	trans	-96.5	148.4	179.5	-59.4	-179	0	0	0	111.5	V299 Y347 P422	V299-L424 HydrophobicContact CB-CD2 3.97Å; V299-L424 HydrophobicContact CG1-CD2 4.19Å; V299-L424 HydrophobicContact CG2-CD2 4.06Å; Y347-L424 WeakPolarHBondContact CD1-O 3.19Å; P422-L424 HydrophobicContact CB-CD2 4.4Å; P422-L424 HydrophobicContact CG-CD2 4.06Å; P422-L424 HydrophobicContact CG-CG 4.49Å
425	P	96.8	Very high	94.7	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.032	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-74.7	158.8	178.6	32	-32.5	0	0	0	111.3	V299 C345 A346 Y347 G427 N428	V299-P425 WeakPolarHBondContact O-CD 3.46Å; C345-P425 HydrophobicContact CB-CB 4.07Å; A346-P425 CarbonylContact O-C 3.52Å; A346-P425 VanDerWaalsContact O-CA 3.27Å; A346-P425 WeakPolarHBondContact O-CA 3.03Å; A346-P425 WeakPolarHBondContact O-CB 3.37Å; Y347-P425 HydrophobicContact CD1-CB 4.09Å; Y347-P425 HydrophobicContact CE1-CB 3.72Å; Y347-P425 HydrophobicContact CE1-CG 4.38Å; P425-G427 PolarHBondContact O-N 3.15Å; P425-N428 WeakPolarHBondContact O-CA 3.17Å; P425-N428 PolarHBondContact O-N 2.64Å
426	I	94.4	Very high	94.1	Very high	56 Å²	56	36.2 Å²	36.2	29%	0.287	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-59.6	120.7	176.4	-59.3	166.7	0	0	0	108.7	V327 A346 N348	V327-I426 HydrophobicContact CG1-CD1 4.08Å; A346-I426 HydrophobicContact CB-CD1 4.25Å; A346-I426 WeakPolarHBondContact O-CG1 3.39Å; A346-I426 PolarHBondContact O-N 2.67Å; N348-I426 HydrophobicContact CB-CD1 4.18Å; N348-I426 HydrophobicContact CB-CG1 4.13Å
427	G	91.7	Very high	93.8	Very high	48 Å²	48	37.2 Å²	37.2	50%	0.495	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	82.6	7.9	-174.9	0	0	0	0	0	114.9	P425 R429	P425-G427 PolarHBondContact O-N 3.15Å; G427-R429 PolarHBondContact O-N 3.12Å; G427-R429 VanDerWaalsContact O-N 3.12Å
428	N	93.2	Very high	93.5	Very high	96 Å²	96	39.9 Å²	39.9	51%	0.513	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	57.5	18.3	-179.3	-66.9	-20	0	0	0	115.7	P425	P425-N428 WeakPolarHBondContact O-CA 3.17Å; P425-N428 PolarHBondContact O-N 2.64Å
429	R	91.6	Very high	93.4	Very high	74 Å²	74	40 Å²	40	28%	0.279	22%	0.215	S	C	.	.	S	Bend	trans	-142.7	167.6	179.9	68.3	-175.1	-165.4	-111.5	4.3	111.2	G427 E475	G427-R429 PolarHBondContact O-N 3.12Å; G427-R429 VanDerWaalsContact O-N 3.12Å; R429-E475 IonicContact CZ-OE2 3.36Å; R429-E475 IonicContact NH1-OE2 3.03Å; R429-E475 PolarHBondContact NH1-OE2 3.03Å; R429-E475 VanDerWaalsContact NH2-CB 3.28Å; R429-E475 PolarHBondContact NH2-O 2.89Å; R429-E475 IonicContact NH2-OE2 3.37Å; R429-E475 PolarHBondContact NH2-OE2 3.42Å
430	P	93.3	Very high	93.3	Very high	11 Å²	11	41.1 Å²	41.1	7%	0.071	22%	0.223	C	C	.	.			trans	-69.4	153.2	171.8	-15.5	33.2	0	0	0	111.2	S301 F309 A343 V344 C345 I433	S301-P430 WeakPolarHBondContact O-CD 3.18Å; F309-P430 HydrophobicContact CE2-CG 4.19Å; A343-P430 HydrophobicContact CB-CB 4.03Å; A343-P430 HydrophobicContact CB-CG 4.26Å; V344-P430 CarbonylContact O-C 3.56Å; C345-P430 VanDerWaalsContact SG-CA 3.6Å; P430-I433 HydrophobicContact CB-CD1 4.09Å; P430-I433 HydrophobicContact CB-CG1 3.79Å; P430-I433 HydrophobicContact CG-CD1 3.78Å; P430-I433 HydrophobicContact CG-CG1 4Å
431	R	92.1	Very high	93.4	Very high	44 Å²	44	39.7 Å²	39.7	17%	0.166	22%	0.216	C	C	.	.	S	Bend	trans	-79.3	-40.9	172.6	-69	-57.1	-164.9	147.6	2.7	111.8	V344 A346 E474 V477	V344-R431 PolarHBondContact O-N 3.25Å; A346-R431 HydrophobicContact CB-CG 3.91Å; R431-E474 PolarHBondContact NH1-O 3.14Å; R431-V477 HydrophobicContact CB-CG2 4.12Å; R431-V477 WeakPolarHBondContact O-CG2 3.43Å
432	L	92.4	Very high	93.5	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.8	176.9	-179.2	61.3	0	0	0	109.3	A343 V344 T434 Y439 V477 I479	A343-L432 CarbonylContact C-O 3.49Å; A343-L432 VanDerWaalsContact CA-O 3.24Å; A343-L432 WeakPolarHBondContact CA-O 3.37Å; V344-L432 HydrophobicContact CB-CB 4.07Å; V344-L432 HydrophobicContact CG2-CB 4.15Å; V344-L432 HydrophobicContact CG2-CD2 4.35Å; V344-L432 PolarHBondContact N-O 3.24Å; V344-L432 PolarHBondContact O-N 3.03Å; L432-T434 HydrophobicContact CD1-CG2 4.32Å; L432-T434 HydrophobicContact CD2-CG2 4.25Å; L432-T434 HydrophobicContact CG-CG2 4.11Å; L432-Y439 HydrophobicContact CD2-CE2 4.08Å; L432-V477 HydrophobicContact CB-CB 4.48Å; L432-V477 HydrophobicContact CB-CG1 4.28Å; L432-V477 HydrophobicContact CD1-CB 4.29Å; L432-V477 HydrophobicContact CD1-CG1 3.95Å; L432-V477 HydrophobicContact CD2-CG1 4.43Å; L432-V477 HydrophobicContact CG-CG1 4.45Å; L432-I479 HydrophobicContact CD1-CD1 4.16Å; L432-I479 HydrophobicContact CD1-CG1 4.19Å; L432-I479 HydrophobicContact CD2-CD1 4.44Å
433	I	91.5	Very high	93.5	Very high	21 Å²	21	35.2 Å²	35.2	11%	0.108	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.9	171.9	-54.5	-177.3	0	0	0	107.4	P42 S44 M302 F309 S342 A343 P430	P42-I433 HydrophobicContact CG-CB 4.25Å; P42-I433 HydrophobicContact CG-CD1 4.34Å; S44-I433 PolarHBondContact OG-O 2.04Å; S44-I433 VanDerWaalsContact OG-O 3.1Å; M302-I433 HydrophobicContact CE-CD1 4.37Å; M302-I433 HydrophobicContact CG-CD1 3.52Å; M302-I433 HydrophobicContact SD-CD1 3.31Å; M302-I433 WeakPolarHBondContact SD-CD1 3.43Å; F309-I433 HydrophobicContact CE2-CD1 4.42Å; F309-I433 HydrophobicContact CZ-CD1 4.38Å; F309-I433 HydrophobicContact CZ-CG2 3.94Å; S342-I433 WeakPolarHBondContact O-CA 3.38Å; A343-I433 HydrophobicContact CB-CG1 4.35Å; P430-I433 HydrophobicContact CB-CD1 4.09Å; P430-I433 HydrophobicContact CB-CG1 3.79Å; P430-I433 HydrophobicContact CG-CD1 3.78Å; P430-I433 HydrophobicContact CG-CG1 4Å
434	T	88.9	Confident	93.5	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.025	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.2	179.2	59.3	0	0	0	0	110.9	S44 L341 S342 L432 Y439 I479	S44-T434 WeakPolarHBondContact OG-CG2 3.4Å; L341-T434 WeakPolarHBondContact CA-O 3.37Å; S342-T434 PolarHBondContact N-O 2.97Å; S342-T434 PolarHBondContact O-N 3.46Å; L432-T434 HydrophobicContact CD1-CG2 4.32Å; L432-T434 HydrophobicContact CD2-CG2 4.25Å; L432-T434 HydrophobicContact CG-CG2 4.11Å; T434-Y439 HydrophobicContact CG2-CE2 3.66Å; T434-Y439 WeakPolarHBondContact CG2-OH 3.27Å; T434-Y439 WeakPolarHBondContact OG1-CE2 3.45Å; T434-I479 HydrophobicContact CG2-CD1 4.24Å
435	K	85.4	Confident	93.4	Very high	55 Å²	55	32.6 Å²	32.6	24%	0.239	18%	0.175	C	C	.	.	S	Bend	trans	-107.1	150	174.6	-164.3	-162	167.9	-176.2	0	110.3	S38 H43 G340 L341 V437	S38-K435 PolarHBondContact O-NZ 2.97Å; H43-K435 VanDerWaalsContact CE1-CD 3.41Å; H43-K435 WeakPolarHBondContact CE1-CD 3.41Å; G340-K435 CarbonylContact O-C 3.59Å; L341-K435 HydrophobicContact CD2-CB 3.99Å; L341-K435 HydrophobicContact CD2-CG 3.94Å; K435-V437 PolarHBondContact O-N 3.17Å; K435-V437 VanDerWaalsContact O-N 3.16Å
436	D	85.4	Confident	93.3	Very high	95 Å²	95	36.6 Å²	36.6	51%	0.508	19%	0.19	S	C	.	.	S	Bend	trans	61.3	17.6	178.9	-52.8	-57.5	0	0	0	114.4	G340 K464	G340-D436 WeakPolarHBondContact O-CA 3.45Å; G340-D436 PolarHBondContact O-N 3.26Å; D436-K464 PolarHBondContact O-NZ 2.62Å
437	V	89.8	Confident	93.3	Very high	31 Å²	31	34.2 Å²	34.2	19%	0.188	18%	0.178	C	C	.	.			trans	-134.7	122.3	-176	176.7	0	0	0	0	109.6	G340 S342 K435 Y439 T462	G340-V437 PolarHBondContact O-N 3.08Å; G340-V437 VanDerWaalsContact O-N 3.08Å; S342-V437 WeakPolarHBondContact CB-O 3.38Å; S342-V437 PolarHBondContact OG-O 2.87Å; K435-V437 PolarHBondContact O-N 3.17Å; K435-V437 VanDerWaalsContact O-N 3.16Å; V437-Y439 HydrophobicContact CG1-CD1 3.88Å; V437-Y439 HydrophobicContact CG1-CE1 3.69Å; V437-T462 HydrophobicContact CG1-CG2 3.68Å
438	N	92.9	Very high	93.4	Very high	56 Å²	56	37.7 Å²	37.7	30%	0.299	18%	0.181	S	C	.	.			trans	-99.5	109.1	172.4	-55.4	-43.6	0	0	0	109.2	S342 T462 D463	S342-N438 VanDerWaalsContact OG-CA 3.31Å; S342-N438 WeakPolarHBondContact OG-CA 3.23Å; N438-T462 VanDerWaalsContact O-CA 3.3Å; N438-T462 WeakPolarHBondContact O-CA 3.33Å; N438-D463 HydrophobicContact CB-CB 4.23Å; N438-D463 PolarHBondContact ND2-OD2 2.78Å; N438-D463 PolarHBondContact O-N 2.97Å; N438-D463 VanDerWaalsContact O-N 3.1Å
439	Y	96.3	Very high	93.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	138.4	173	-69.3	-42.1	0	0	0	111	V331 S342 V344 L432 T434 V437 T460 G461 T462 H468	V331-Y439 VanDerWaalsContact CG1-CB 3.44Å; V331-Y439 WeakPolarHBondContact CG1-O 3.41Å; S342-Y439 PolarHBondContact OG-N 2.97Å; V344-Y439 HydrophobicContact CG2-CD2 4.43Å; V344-Y439 HydrophobicContact CG2-CE2 4.44Å; L432-Y439 HydrophobicContact CD2-CE2 4.08Å; T434-Y439 HydrophobicContact CG2-CE2 3.66Å; T434-Y439 WeakPolarHBondContact CG2-OH 3.27Å; T434-Y439 WeakPolarHBondContact OG1-CE2 3.45Å; V437-Y439 HydrophobicContact CG1-CD1 3.88Å; V437-Y439 HydrophobicContact CG1-CE1 3.69Å; Y439-T460 HydrophobicContact CD1-CG2 4.45Å; Y439-T460 HydrophobicContact CD2-CG2 4.31Å; Y439-T460 WeakPolarHBondContact CE1-OG1 3.41Å; Y439-T460 HydrophobicContact CE2-CG2 4.43Å; Y439-T460 HydrophobicContact CG-CG2 4.32Å; Y439-T460 VanDerWaalsContact CZ-OG1 3.25Å; Y439-G461 CarbonylContact C-O 3.59Å; Y439-G461 WeakPolarHBondContact CA-O 3.34Å; Y439-T462 HydrophobicContact CD1-CG2 3.86Å; Y439-T462 HydrophobicContact CE1-CG2 4.07Å; Y439-H468 HydrophobicContact CE1-CB 4.28Å; Y439-H468 AromaticContact CE1-CG 3.98Å; Y439-H468 AromaticContact CE1-ND1 3.46Å; Y439-H468 WeakPolarHBondContact CE1-ND1 3.29Å; Y439-H468 AromaticContact CZ-ND1 3.59Å; Y439-H468 PolarHBondContact OH-ND1 3.15Å
440	T	96.9	Very high	93.5	Very high	28 Å²	28	32.5 Å²	32.5	17%	0.172	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-30.4	-177.5	57.6	0	0	0	0	113.5	G461 D463 I492	T440-G461 PolarHBondContact N-O 2.91Å; T440-G461 PolarHBondContact OG1-O 3.36Å; T440-D463 HydrophobicContact CG2-CB 4.06Å; T440-I492 WeakPolarHBondContact CB-O 3.29Å; T440-I492 PolarHBondContact OG1-O 2.84Å
441	Q	98.3	Very high	93.4	Very high	23 Å²	23	36 Å²	36	11%	0.107	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.2	-173.1	-66.9	-70.4	-83.6	0	0	111.4	D314 T460 G461 I492 K493 N494 L495	D314-Q441 VanDerWaalsContact OD2-CA 3.22Å; D314-Q441 WeakPolarHBondContact OD2-CA 3.32Å; D314-Q441 PolarHBondContact OD2-NE2 2.76Å; Q441-T460 CarbonylContact O-C 3.47Å; Q441-T460 VanDerWaalsContact O-CA 3.29Å; Q441-T460 WeakPolarHBondContact O-CA 3.28Å; Q441-G461 PolarHBondContact O-N 3.42Å; Q441-I492 HydrophobicContact CB-CG2 4.42Å; Q441-I492 HydrophobicContact CG-CG2 4.25Å; Q441-K493 PolarHBondContact OE1-O 3.04Å; Q441-N494 VanDerWaalsContact OE1-CA 3.26Å; Q441-L495 HydrophobicContact CB-CB 3.71Å; Q441-L495 HydrophobicContact CB-CD2 4.31Å; Q441-L495 HydrophobicContact CG-CB 4.37Å
442	I	98.7	Very high	93.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	136.9	179.8	-174.4	163.4	0	0	0	112.8	D314 F316 V331 V344 V444 I458 F459 T460	D314-I442 HydrophobicContact CB-CG2 4.12Å; D314-I442 PolarHBondContact OD2-N 3.31Å; F316-I442 HydrophobicContact CB-CG2 4.14Å; V331-I442 HydrophobicContact CG2-CB 3.68Å; V331-I442 HydrophobicContact CG2-CD1 4.02Å; V331-I442 HydrophobicContact CG2-CG1 4.42Å; V331-I442 HydrophobicContact CG2-CG2 3.89Å; V344-I442 HydrophobicContact CG1-CD1 3.57Å; V344-I442 HydrophobicContact CG2-CD1 4.28Å; I442-V444 HydrophobicContact CD1-CG2 4.29Å; I442-V444 HydrophobicContact CG1-CG2 4.08Å; I442-I458 HydrophobicContact CD1-CG2 3.71Å; I442-I458 HydrophobicContact CG1-CG2 4.02Å; I442-F459 WeakPolarHBondContact CA-O 3.34Å; I442-T460 HydrophobicContact CB-CG2 4.11Å; I442-T460 HydrophobicContact CD1-CG2 4Å; I442-T460 HydrophobicContact CG1-CG2 3.97Å
443	V	98.6	Very high	93.4	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	149.6	163.6	-63	0	0	0	0	109.8	F316 F459 L495 L497	F316-V443 HydrophobicContact CD2-CB 4.07Å; F316-V443 HydrophobicContact CD2-CG1 3.96Å; F316-V443 HydrophobicContact CE2-CB 4.06Å; F316-V443 HydrophobicContact CE2-CG1 4.08Å; V443-F459 HydrophobicContact CG2-CB 3.78Å; V443-F459 HydrophobicContact CG2-CD2 4.3Å; V443-F459 HydrophobicContact CG2-CG 4.4Å; V443-F459 PolarHBondContact N-O 3.45Å; V443-F459 PolarHBondContact O-N 2.88Å; V443-L495 HydrophobicContact CG1-CB 4.21Å; V443-L495 HydrophobicContact CG1-CD2 4.37Å; V443-L495 HydrophobicContact CG1-CG 4.1Å; V443-L495 WeakPolarHBondContact CG1-O 3.39Å; V443-L495 HydrophobicContact CG2-CD2 3.84Å; V443-L495 HydrophobicContact CG2-CG 3.94Å; V443-L497 HydrophobicContact CB-CB 4.15Å; V443-L497 HydrophobicContact CG2-CB 3.84Å; V443-L497 HydrophobicContact CG2-CD1 4.46Å
444	V	97.9	Very high	93.5	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	134.9	-175.4	-171.6	0	0	0	0	110.8	F316 L318 Y329 I442 D456 V457 I458	F316-V444 HydrophobicContact CD1-CB 3.8Å; F316-V444 HydrophobicContact CD1-CG2 4.02Å; F316-V444 HydrophobicContact CE1-CB 3.94Å; F316-V444 WeakPolarHBondContact CE1-O 3.25Å; F316-V444 WeakPolarHBondContact CZ-O 3.44Å; L318-V444 HydrophobicContact CD2-CG1 4.01Å; Y329-V444 HydrophobicContact CD1-CG2 4.12Å; Y329-V444 HydrophobicContact CD2-CB 4.37Å; Y329-V444 HydrophobicContact CD2-CG1 4.34Å; Y329-V444 HydrophobicContact CD2-CG2 3.92Å; Y329-V444 HydrophobicContact CE2-CG1 4.17Å; Y329-V444 HydrophobicContact CG-CG2 3.72Å; I442-V444 HydrophobicContact CD1-CG2 4.29Å; I442-V444 HydrophobicContact CG1-CG2 4.08Å; V444-D456 HydrophobicContact CG1-CB 4.06Å; V444-V457 CarbonylContact C-O 3.59Å; V444-V457 VanDerWaalsContact CA-O 3.29Å; V444-V457 WeakPolarHBondContact CA-O 3.45Å; V444-V457 WeakPolarHBondContact CG1-O 3.25Å; V444-I458 HydrophobicContact CG1-CG1 4.21Å; V444-I458 HydrophobicContact CG2-CG1 4.14Å; V444-I458 HydrophobicContact CG2-CG2 4.44Å
445	E	95.8	Very high	93.8	Very high	21 Å²	21	45.3 Å²	45.3	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	144	176.6	-174.4	160.6	-153.9	0	0	111.5	V447 D456 V457 L497 S499 Y536	E445-V447 HydrophobicContact CB-CG2 4.5Å; E445-V447 HydrophobicContact CG-CG2 4.12Å; E445-D456 WeakPolarHBondContact O-CA 3.12Å; E445-V457 PolarHBondContact N-O 2.91Å; E445-V457 PolarHBondContact O-N 2.71Å; E445-L497 HydrophobicContact CB-CD1 4.17Å; E445-L497 HydrophobicContact CB-CD2 3.84Å; E445-L497 HydrophobicContact CG-CD2 4.15Å; E445-S499 WeakPolarHBondContact OE1-CA 3.17Å; E445-S499 WeakPolarHBondContact OE1-CB 3.43Å; E445-S499 PolarHBondContact OE1-OG 2.93Å; E445-Y536 PolarHBondContact OE2-OH 2.99Å
446	R	94.9	Very high	94.3	Very high	90 Å²	90	43.9 Å²	43.9	34%	0.34	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.7	170.3	-87.7	169.3	-179.2	161.1	-2	110	L318 D325 I454 D456	L318-R446 HydrophobicContact CD1-CG 4.22Å; L318-R446 HydrophobicContact CD2-CG 4.12Å; D325-R446 PolarHBondContact O-NH1 2.89Å; D325-R446 PolarHBondContact O-NH2 2.81Å; R446-I454 HydrophobicContact CB-CG2 3.87Å; R446-I454 HydrophobicContact CG-CG2 3.94Å; R446-D456 WeakPolarHBondContact CG-OD1 3.03Å; R446-D456 IonicContact NE-OD1 2.99Å; R446-D456 PolarHBondContact NE-OD1 2.87Å
447	V	94.7	Very high	94.9	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.036	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.1	-177.8	-173	0	0	0	0	109.7	E445 I454 Y455 V457 P535 Y536	E445-V447 HydrophobicContact CB-CG2 4.5Å; E445-V447 HydrophobicContact CG-CG2 4.12Å; V447-I454 WeakPolarHBondContact O-CA 3.07Å; V447-Y455 PolarHBondContact N-O 2.86Å; V447-Y455 PolarHBondContact O-N 3.49Å; V447-V457 HydrophobicContact CB-CG2 4.15Å; V447-V457 HydrophobicContact CG2-CB 4.31Å; V447-V457 HydrophobicContact CG2-CG2 3.55Å; V447-P535 HydrophobicContact CB-CB 4.29Å; V447-P535 HydrophobicContact CB-CG 4.36Å; V447-P535 HydrophobicContact CG1-CB 3.97Å; V447-P535 HydrophobicContact CG1-CG 4.37Å; V447-Y536 HydrophobicContact CB-CE1 4.35Å; V447-Y536 HydrophobicContact CG1-CD1 3.98Å; V447-Y536 HydrophobicContact CG1-CE1 3.93Å; V447-Y536 HydrophobicContact CG2-CD1 4.26Å; V447-Y536 HydrophobicContact CG2-CE1 3.42Å; V447-Y536 VanDerWaalsContact CG2-CE1 3.42Å; V447-Y536 HydrophobicContact CG2-CE2 4.25Å; V447-Y536 VanDerWaalsContact CG2-CZ 3.4Å; V447-Y536 VanDerWaalsContact CG2-OH 3.27Å; V447-Y536 WeakPolarHBondContact CG2-OH 3.43Å
448	Q	93.7	Very high	95.3	Very high	120 Å²	120	37.9 Å²	37.9	56%	0.561	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.9	170.5	-170.2	172.9	25.2	0	0	109.7	G452 N453 I454 I549	Q448-G452 PolarHBondContact NE2-O 2.82Å; Q448-N453 WeakPolarHBondContact CA-O 3.07Å; Q448-I454 HydrophobicContact CB-CG1 4.36Å; Q448-I454 HydrophobicContact CG-CG1 4.39Å; Q448-I549 WeakPolarHBondContact O-CD1 3.46Å
449	A	93.8	Very high	95.5	Very high	6 Å²	6	35.3 Å²	35.3	5%	0.05	18%	0.184	C	C	.	.			trans	-87.6	175.9	179.6	0	0	0	0	0	112.2	D451 G452 N453 Y455 P535 L565	A449-D451 WeakPolarHBondContact CB-OD1 3.43Å; A449-D451 PolarHBondContact O-N 3.19Å; A449-G452 PolarHBondContact O-N 2.86Å; A449-N453 PolarHBondContact N-O 2.67Å; A449-Y455 HydrophobicContact CB-CD2 3.93Å; A449-Y455 HydrophobicContact CB-CE2 3.82Å; A449-P535 HydrophobicContact CB-CB 4.34Å; A449-L565 HydrophobicContact CB-CD1 3.54Å
450	L	92.5	Very high	95.6	Very high	55 Å²	55	35.2 Å²	35.2	29%	0.288	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.2	-178	-66.3	-171.2	0	0	0	114.2	G452 A538 I549 L557 L561 Q563	L450-G452 PolarHBondContact O-N 2.63Å; L450-A538 HydrophobicContact CD1-CB 3.62Å; L450-A538 HydrophobicContact CG-CB 4.49Å; L450-I549 HydrophobicContact CD1-CG2 4.3Å; L450-I549 HydrophobicContact CD2-CB 4.29Å; L450-I549 HydrophobicContact CD2-CD1 4.39Å; L450-I549 HydrophobicContact CD2-CG2 4.01Å; L450-I549 HydrophobicContact CG-CG2 4.06Å; L450-L557 HydrophobicContact CD2-CD2 3.68Å; L450-L557 HydrophobicContact CD2-CG 4.28Å; L450-L561 HydrophobicContact CD1-CB 3.58Å; L450-L561 HydrophobicContact CD1-CD1 4.28Å; L450-Q563 HydrophobicContact CB-CB 4.31Å; L450-Q563 HydrophobicContact CD1-CB 3.82Å; L450-Q563 HydrophobicContact CG-CB 4.2Å
451	D	90.9	Very high	95.7	Very high	86 Å²	86	33.9 Å²	33.9	46%	0.46	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-6	171.8	68.8	-8.4	0	0	0	113.1	A449 N453 Y455	A449-D451 WeakPolarHBondContact CB-OD1 3.43Å; A449-D451 PolarHBondContact O-N 3.19Å; D451-N453 VanDerWaalsContact C-N 3.3Å; D451-N453 VanDerWaalsContact CG-ND2 3.29Å; D451-N453 WeakPolarHBondContact OD1-CB 3.17Å; D451-N453 PolarHBondContact OD1-N 2.99Å; D451-N453 PolarHBondContact OD2-ND2 3.24Å; D451-Y455 PolarHBondContact OD2-OH 2.94Å; D451-Y455 VanDerWaalsContact OD2-OH 3.1Å
452	G	90.8	Very high	95.6	Very high	37 Å²	37	33 Å²	33	38%	0.381	17%	0.172	S	C	.	.	S	Bend	trans	85	-6.1	-178.2	0	0	0	0	0	114.5	Q448 A449 L450	Q448-G452 PolarHBondContact NE2-O 2.82Å; A449-G452 PolarHBondContact O-N 2.86Å; L450-G452 PolarHBondContact O-N 2.63Å
453	N	93.3	Very high	95.5	Very high	88 Å²	88	35.3 Å²	35.3	47%	0.471	18%	0.184	S	C	.	.			trans	-75.9	157.9	176.8	-67	-46.8	0	0	0	111.2	Q448 A449 D451 Y455	Q448-N453 WeakPolarHBondContact CA-O 3.07Å; A449-N453 PolarHBondContact N-O 2.67Å; D451-N453 VanDerWaalsContact C-N 3.3Å; D451-N453 VanDerWaalsContact CG-ND2 3.29Å; D451-N453 WeakPolarHBondContact OD1-CB 3.17Å; D451-N453 PolarHBondContact OD1-N 2.99Å; D451-N453 PolarHBondContact OD2-ND2 3.24Å; N453-Y455 HydrophobicContact CB-CD2 4.48Å; N453-Y455 HydrophobicContact CB-CE2 3.59Å
454	I	93.4	Very high	95.3	Very high	109 Å²	109	39.7 Å²	39.7	56%	0.559	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.9	178.9	-60	173.8	0	0	0	108.8	R446 V447 Q448	R446-I454 HydrophobicContact CB-CG2 3.87Å; R446-I454 HydrophobicContact CG-CG2 3.94Å; V447-I454 WeakPolarHBondContact O-CA 3.07Å; Q448-I454 HydrophobicContact CB-CG1 4.36Å; Q448-I454 HydrophobicContact CG-CG1 4.39Å
455	Y	94.9	Very high	95.3	Very high	36 Å²	36	39.6 Å²	39.6	14%	0.141	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.8	-180	-63.5	-85.7	0	0	0	110.2	V447 A449 D451 N453 V457 V471 F473 L565	V447-Y455 PolarHBondContact N-O 2.86Å; V447-Y455 PolarHBondContact O-N 3.49Å; A449-Y455 HydrophobicContact CB-CD2 3.93Å; A449-Y455 HydrophobicContact CB-CE2 3.82Å; D451-Y455 PolarHBondContact OD2-OH 2.94Å; D451-Y455 VanDerWaalsContact OD2-OH 3.1Å; N453-Y455 HydrophobicContact CB-CD2 4.48Å; N453-Y455 HydrophobicContact CB-CE2 3.59Å; Y455-V457 PolarHBondContact O-N 2.86Å; Y455-V471 HydrophobicContact CD1-CG1 4.34Å; Y455-V471 HydrophobicContact CG-CG1 4.42Å; Y455-F473 AromaticContact CD1-CD1 3.74Å; Y455-F473 HydrophobicContact CD1-CD1 3.74Å; Y455-F473 AromaticContact CD1-CE1 3.76Å; Y455-F473 HydrophobicContact CD1-CE1 3.76Å; Y455-F473 AromaticContact CE1-CD1 3.61Å; Y455-F473 HydrophobicContact CE1-CD1 3.61Å; Y455-F473 AromaticContact CE1-CE1 3.77Å; Y455-F473 HydrophobicContact CE1-CE1 3.77Å; Y455-L565 HydrophobicContact CD1-CD1 4.48Å; Y455-L565 HydrophobicContact CD2-CD1 3.58Å; Y455-L565 HydrophobicContact CE1-CD1 4.22Å; Y455-L565 HydrophobicContact CE2-CD1 3.24Å; Y455-L565 HydrophobicContact CG-CD1 4.2Å
456	D	96.2	Very high	95.3	Very high	26 Å²	26	39.4 Å²	39.4	14%	0.139	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113	169.9	-72.4	-7.5	0	0	0	107.9	L318 Y329 V444 E445 R446 V472	L318-D456 WeakPolarHBondContact CD2-OD2 3.27Å; Y329-D456 PolarHBondContact OH-OD2 2.9Å; V444-D456 HydrophobicContact CG1-CB 4.06Å; E445-D456 WeakPolarHBondContact O-CA 3.12Å; R446-D456 WeakPolarHBondContact CG-OD1 3.03Å; R446-D456 IonicContact NE-OD1 2.99Å; R446-D456 PolarHBondContact NE-OD1 2.87Å; D456-V472 HydrophobicContact CB-CB 4.45Å; D456-V472 HydrophobicContact CB-CG2 4.22Å; D456-V472 WeakPolarHBondContact O-CG2 3.36Å; D456-V472 PolarHBondContact O-N 2.88Å; D456-V472 VanDerWaalsContact O-N 3.07Å
457	V	97.7	Very high	95.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119.8	175.3	-174.2	0	0	0	0	109	V444 E445 V447 Y455 F459 K469 S470 V471 P535 Y536	V444-V457 CarbonylContact C-O 3.59Å; V444-V457 VanDerWaalsContact CA-O 3.29Å; V444-V457 WeakPolarHBondContact CA-O 3.45Å; V444-V457 WeakPolarHBondContact CG1-O 3.25Å; E445-V457 PolarHBondContact N-O 2.91Å; E445-V457 PolarHBondContact O-N 2.71Å; V447-V457 HydrophobicContact CB-CG2 4.15Å; V447-V457 HydrophobicContact CG2-CB 4.31Å; V447-V457 HydrophobicContact CG2-CG2 3.55Å; Y455-V457 PolarHBondContact O-N 2.86Å; V457-F459 HydrophobicContact CB-CE2 4.42Å; V457-F459 HydrophobicContact CG1-CD2 4.41Å; V457-F459 HydrophobicContact CG1-CE2 3.85Å; V457-F459 HydrophobicContact CG1-CZ 4.04Å; V457-K469 HydrophobicContact CG1-CD 4.26Å; V457-K469 HydrophobicContact CG1-CG 3.82Å; V457-S470 CarbonylContact C-O 3.52Å; V457-S470 WeakPolarHBondContact CA-O 3.26Å; V457-V471 HydrophobicContact CG1-CG2 4.47Å; V457-V471 HydrophobicContact CG2-CG2 4.35Å; V457-P535 HydrophobicContact CG2-CG 3.53Å; V457-Y536 HydrophobicContact CB-CE2 4.49Å; V457-Y536 HydrophobicContact CG1-CE2 4.07Å; V457-Y536 HydrophobicContact CG2-CE2 4.28Å
458	I	98.2	Very high	95.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124	-176.4	-57.8	171.6	0	0	0	109	Y329 V344 I442 V444 T460 S470 V472	Y329-I458 HydrophobicContact CD1-CD1 4.14Å; Y329-I458 HydrophobicContact CD1-CG1 4.48Å; Y329-I458 HydrophobicContact CE1-CD1 3.76Å; Y329-I458 HydrophobicContact CE1-CG1 4.22Å; V344-I458 HydrophobicContact CG1-CD1 4.41Å; I442-I458 HydrophobicContact CD1-CG2 3.71Å; I442-I458 HydrophobicContact CG1-CG2 4.02Å; V444-I458 HydrophobicContact CG1-CG1 4.21Å; V444-I458 HydrophobicContact CG2-CG1 4.14Å; V444-I458 HydrophobicContact CG2-CG2 4.44Å; I458-T460 HydrophobicContact CG2-CG2 3.94Å; I458-S470 PolarHBondContact N-O 2.8Å; I458-S470 PolarHBondContact O-N 3.24Å; I458-V472 HydrophobicContact CD1-CG2 3.61Å; I458-V472 HydrophobicContact CG1-CG2 4.17Å
459	F	98.6	Very high	95.9	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.4	169.6	-61.6	-91.6	0	0	0	109.1	I442 V443 V457 L467 H468 K469 L495 L497 V504 T517 Y536	I442-F459 WeakPolarHBondContact CA-O 3.34Å; V443-F459 HydrophobicContact CG2-CB 3.78Å; V443-F459 HydrophobicContact CG2-CD2 4.3Å; V443-F459 HydrophobicContact CG2-CG 4.4Å; V443-F459 PolarHBondContact N-O 3.45Å; V443-F459 PolarHBondContact O-N 2.88Å; V457-F459 HydrophobicContact CB-CE2 4.42Å; V457-F459 HydrophobicContact CG1-CD2 4.41Å; V457-F459 HydrophobicContact CG1-CE2 3.85Å; V457-F459 HydrophobicContact CG1-CZ 4.04Å; F459-L467 HydrophobicContact CB-CD1 4.23Å; F459-L467 HydrophobicContact CD1-CD2 4.05Å; F459-H468 WeakPolarHBondContact CA-O 3.36Å; F459-K469 HydrophobicContact CD1-CB 4.12Å; F459-K469 HydrophobicContact CD1-CD 4.27Å; F459-K469 HydrophobicContact CD1-CG 3.94Å; F459-K469 HydrophobicContact CE1-CB 4.13Å; F459-K469 HydrophobicContact CE1-CD 3.45Å; F459-K469 VanDerWaalsContact CE1-CD 3.45Å; F459-K469 HydrophobicContact CE1-CG 3.59Å; F459-K469 HydrophobicContact CZ-CD 3.86Å; F459-K469 HydrophobicContact CZ-CG 4.12Å; F459-L495 HydrophobicContact CB-CD2 4.5Å; F459-L497 HydrophobicContact CD2-CD1 3.89Å; F459-L497 HydrophobicContact CE2-CD1 3.62Å; F459-L497 HydrophobicContact CZ-CD1 4.4Å; F459-V504 HydrophobicContact CD1-CG2 3.89Å; F459-V504 HydrophobicContact CD2-CG2 4.37Å; F459-V504 HydrophobicContact CE1-CG2 3.93Å; F459-V504 HydrophobicContact CE2-CG2 4.43Å; F459-V504 HydrophobicContact CG-CG2 4.1Å; F459-V504 HydrophobicContact CZ-CG2 4.22Å; F459-T517 HydrophobicContact CE2-CG2 4.4Å; F459-T517 HydrophobicContact CZ-CG2 3.89Å; F459-Y536 HydrophobicContact CZ-CE2 4.01Å
460	T	98.4	Very high	96	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126.5	179	42.5	0	0	0	0	111.9	V331 V344 Y439 Q441 I442 I458 L467 H468	V331-T460 HydrophobicContact CG2-CG2 4.04Å; V344-T460 HydrophobicContact CG2-CG2 4.11Å; Y439-T460 HydrophobicContact CD1-CG2 4.45Å; Y439-T460 HydrophobicContact CD2-CG2 4.31Å; Y439-T460 WeakPolarHBondContact CE1-OG1 3.41Å; Y439-T460 HydrophobicContact CE2-CG2 4.43Å; Y439-T460 HydrophobicContact CG-CG2 4.32Å; Y439-T460 VanDerWaalsContact CZ-OG1 3.25Å; Q441-T460 CarbonylContact O-C 3.47Å; Q441-T460 VanDerWaalsContact O-CA 3.29Å; Q441-T460 WeakPolarHBondContact O-CA 3.28Å; I442-T460 HydrophobicContact CB-CG2 4.11Å; I442-T460 HydrophobicContact CD1-CG2 4Å; I442-T460 HydrophobicContact CG1-CG2 3.97Å; I458-T460 HydrophobicContact CG2-CG2 3.94Å; T460-L467 WeakPolarHBondContact O-CA 3.45Å; T460-H468 PolarHBondContact N-O 2.85Å; T460-H468 PolarHBondContact O-N 2.76Å
461	G	98.1	Very high	96.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	152.6	173.7	0	0	0	0	0	112.2	Y439 T440 Q441 V466	Y439-G461 CarbonylContact C-O 3.59Å; Y439-G461 WeakPolarHBondContact CA-O 3.34Å; T440-G461 PolarHBondContact N-O 2.91Å; T440-G461 PolarHBondContact OG1-O 3.36Å; Q441-G461 PolarHBondContact O-N 3.42Å; G461-V466 CarbonylContact C-O 3.3Å; G461-V466 WeakPolarHBondContact CA-O 3.32Å
462	T	96.9	Very high	96.3	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	167.2	179.9	71.3	0	0	0	0	114.2	V437 N438 Y439 K464 G465 V466 I492	V437-T462 HydrophobicContact CG1-CG2 3.68Å; N438-T462 VanDerWaalsContact O-CA 3.3Å; N438-T462 WeakPolarHBondContact O-CA 3.33Å; Y439-T462 HydrophobicContact CD1-CG2 3.86Å; Y439-T462 HydrophobicContact CE1-CG2 4.07Å; T462-K464 PolarHBondContact O-N 3.49Å; T462-K464 PolarHBondContact OG1-N 2.77Å; T462-G465 PolarHBondContact O-N 2.88Å; T462-G465 PolarHBondContact OG1-N 3.13Å; T462-V466 HydrophobicContact CG2-CB 4.13Å; T462-V466 PolarHBondContact N-O 2.69Å; T462-V466 WeakPolarHBondContact OG1-CB 3.33Å; T462-V466 PolarHBondContact OG1-N 3.4Å; T462-V466 PolarHBondContact OG1-O 2.98Å; T462-I492 PolarHBondContact O-N 2.92Å; T462-I492 VanDerWaalsContact O-N 3.08Å
463	D	95.1	Very high	96	Very high	49 Å²	49	22.4 Å²	22.4	26%	0.262	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-10.9	170.8	69.3	-24.9	0	0	0	114.8	N438 T440 E490 P491	N438-D463 HydrophobicContact CB-CB 4.23Å; N438-D463 PolarHBondContact ND2-OD2 2.78Å; N438-D463 PolarHBondContact O-N 2.97Å; N438-D463 VanDerWaalsContact O-N 3.1Å; T440-D463 HydrophobicContact CG2-CB 4.06Å; D463-E490 CarbonylContact O-C 3.58Å; D463-E490 VanDerWaalsContact O-C 3.29Å; D463-P491 WeakPolarHBondContact O-CA 3.38Å
464	K	95.4	Very high	95.3	Very high	95 Å²	95	27.1 Å²	27.1	41%	0.413	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	6.4	-179.9	-64.6	166	-168.8	168.5	0	113.5	D436 T462 Q484 E490	D436-K464 PolarHBondContact O-NZ 2.62Å; T462-K464 PolarHBondContact O-N 3.49Å; T462-K464 PolarHBondContact OG1-N 2.77Å; K464-Q484 PolarHBondContact O-NE2 3.37Å; K464-Q484 VanDerWaalsContact O-NE2 3.16Å; K464-E490 CarbonylContact C-O 3.4Å
465	G	96.9	Very high	94.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	80.8	24.5	176.1	0	0	0	0	0	114.4	T462 Q484 L485 L486 E490	T462-G465 PolarHBondContact O-N 2.88Å; T462-G465 PolarHBondContact OG1-N 3.13Å; G465-Q484 PolarHBondContact O-NE2 2.84Å; G465-L485 WeakPolarHBondContact O-CA 3.18Å; G465-L485 PolarHBondContact O-N 3.12Å; G465-L486 PolarHBondContact O-N 2.84Å; G465-E490 VanDerWaalsContact CA-O 3.24Å; G465-E490 WeakPolarHBondContact CA-O 3.43Å; G465-E490 PolarHBondContact N-O 3.27Å
466	V	97.3	Very high	93.8	Very high	17 Å²	17	31.5 Å²	31.5	10%	0.103	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	142.4	176.4	-172.9	0	0	0	0	109.2	G461 T462 E482 I483 I492	G461-V466 CarbonylContact C-O 3.3Å; G461-V466 WeakPolarHBondContact CA-O 3.32Å; T462-V466 HydrophobicContact CG2-CB 4.13Å; T462-V466 PolarHBondContact N-O 2.69Å; T462-V466 WeakPolarHBondContact OG1-CB 3.33Å; T462-V466 PolarHBondContact OG1-N 3.4Å; T462-V466 PolarHBondContact OG1-O 2.98Å; V466-E482 HydrophobicContact CG1-CB 3.94Å; V466-I483 CarbonylContact C-O 3.59Å; V466-I483 VanDerWaalsContact CA-O 3.31Å; V466-I483 WeakPolarHBondContact CA-O 3.29Å; V466-I492 WeakPolarHBondContact O-CD1 3.37Å
467	L	98.2	Very high	93.5	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.1	167.6	-172.8	76.7	0	0	0	108.9	F459 T460 E482 I483 L485 L495 V504	F459-L467 HydrophobicContact CB-CD1 4.23Å; F459-L467 HydrophobicContact CD1-CD2 4.05Å; T460-L467 WeakPolarHBondContact O-CA 3.45Å; L467-E482 CarbonylContact O-C 3.6Å; L467-E482 WeakPolarHBondContact O-CA 3.14Å; L467-I483 HydrophobicContact CB-CB 4.41Å; L467-I483 HydrophobicContact CD2-CD1 4.34Å; L467-I483 PolarHBondContact N-O 3Å; L467-I483 PolarHBondContact O-N 3.01Å; L467-L485 HydrophobicContact CB-CD1 3.64Å; L467-L485 HydrophobicContact CB-CG 3.78Å; L467-L485 HydrophobicContact CD1-CD1 4.33Å; L467-L485 HydrophobicContact CD2-CD1 4.12Å; L467-L485 HydrophobicContact CG-CD1 4.25Å; L467-L495 HydrophobicContact CD1-CD1 3.93Å; L467-L495 HydrophobicContact CD1-CD2 3.98Å; L467-V504 HydrophobicContact CD1-CG1 4.33Å; L467-V504 HydrophobicContact CD2-CB 4.49Å; L467-V504 HydrophobicContact CD2-CG1 4.11Å
468	H	98	Very high	93.2	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.023	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.9	167.1	-66.3	179.5	0	0	0	109.6	Y439 F459 T460 I479 E481 E482	Y439-H468 HydrophobicContact CE1-CB 4.28Å; Y439-H468 AromaticContact CE1-CG 3.98Å; Y439-H468 AromaticContact CE1-ND1 3.46Å; Y439-H468 WeakPolarHBondContact CE1-ND1 3.29Å; Y439-H468 AromaticContact CZ-ND1 3.59Å; Y439-H468 PolarHBondContact OH-ND1 3.15Å; F459-H468 WeakPolarHBondContact CA-O 3.36Å; T460-H468 PolarHBondContact N-O 2.85Å; T460-H468 PolarHBondContact O-N 2.76Å; H468-I479 HydrophobicContact CB-CG2 4.32Å; H468-E481 WeakPolarHBondContact CA-O 3.33Å; H468-E482 VanDerWaalsContact CD2-CB 3.42Å; H468-E482 WeakPolarHBondContact CD2-CB 3.46Å; H468-E482 IonicContact NE2-OE2 2.73Å
469	K	98.2	Very high	93.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.7	169.5	-172.8	175.9	79.7	-164.5	0	109.7	V457 F459 V480 E481 T517 D534 Y536	V457-K469 HydrophobicContact CG1-CD 4.26Å; V457-K469 HydrophobicContact CG1-CG 3.82Å; F459-K469 HydrophobicContact CD1-CB 4.12Å; F459-K469 HydrophobicContact CD1-CD 4.27Å; F459-K469 HydrophobicContact CD1-CG 3.94Å; F459-K469 HydrophobicContact CE1-CB 4.13Å; F459-K469 HydrophobicContact CE1-CD 3.45Å; F459-K469 VanDerWaalsContact CE1-CD 3.45Å; F459-K469 HydrophobicContact CE1-CG 3.59Å; F459-K469 HydrophobicContact CZ-CD 3.86Å; F459-K469 HydrophobicContact CZ-CG 4.12Å; K469-V480 PolarHBondContact O-N 3.26Å; K469-E481 HydrophobicContact CB-CG 3.97Å; K469-E481 VanDerWaalsContact CE-OE1 3.31Å; K469-E481 WeakPolarHBondContact CE-OE1 3.23Å; K469-E481 PolarHBondContact N-O 2.83Å; K469-E481 IonicContact NZ-OE1 2.69Å; K469-E481 PolarHBondContact NZ-OE1 3.3Å; K469-E481 PolarHBondContact O-N 2.75Å; K469-T517 WeakPolarHBondContact CD-O 3.18Å; K469-T517 PolarHBondContact NZ-O 3.03Å; K469-T517 VanDerWaalsContact NZ-O 3.08Å; K469-D534 VanDerWaalsContact CE-OD2 3.31Å; K469-D534 WeakPolarHBondContact CE-OD2 3.32Å; K469-D534 IonicContact NZ-OD1 3.17Å; K469-D534 IonicContact NZ-OD2 3.29Å; K469-D534 PolarHBondContact NZ-OD2 3.26Å; K469-Y536 HydrophobicContact CD-CE2 4.38Å
470	S	97.1	Very high	92.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.4	-177	-43.4	0	0	0	0	111.2	V457 I458 H478	V457-S470 CarbonylContact C-O 3.52Å; V457-S470 WeakPolarHBondContact CA-O 3.26Å; I458-S470 PolarHBondContact N-O 2.8Å; I458-S470 PolarHBondContact O-N 3.24Å; S470-H478 CarbonylContact C-O 3.6Å; S470-H478 WeakPolarHBondContact CA-O 3.47Å
471	V	95.9	Very high	92.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	130.9	179.9	-173.3	0	0	0	0	109	Y455 V457 F473 V477 H478 V480 P535	Y455-V471 HydrophobicContact CD1-CG1 4.34Å; Y455-V471 HydrophobicContact CG-CG1 4.42Å; V457-V471 HydrophobicContact CG1-CG2 4.47Å; V457-V471 HydrophobicContact CG2-CG2 4.35Å; V471-F473 HydrophobicContact CB-CE1 4.31Å; V471-F473 HydrophobicContact CB-CE2 3.9Å; V471-F473 HydrophobicContact CB-CZ 3.77Å; V471-F473 HydrophobicContact CG1-CD1 4.16Å; V471-F473 HydrophobicContact CG1-CE1 3.51Å; V471-F473 HydrophobicContact CG1-CE2 4.01Å; V471-F473 HydrophobicContact CG1-CZ 3.45Å; V471-F473 VanDerWaalsContact CG1-CZ 3.45Å; V471-V477 WeakPolarHBondContact O-CA 3.43Å; V471-H478 PolarHBondContact N-O 3.27Å; V471-H478 PolarHBondContact O-N 2.93Å; V471-V480 HydrophobicContact CG2-CG2 3.66Å; V471-P535 HydrophobicContact CG1-CG 4.18Å; V471-P535 HydrophobicContact CG2-CG 4.08Å
472	V	93.1	Very high	92.8	Very high	15 Å²	15	35.7 Å²	35.7	9%	0.091	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	120.2	175.5	-175	0	0	0	0	109.5	D456 I458 V477	D456-V472 HydrophobicContact CB-CB 4.45Å; D456-V472 HydrophobicContact CB-CG2 4.22Å; D456-V472 WeakPolarHBondContact O-CG2 3.36Å; D456-V472 PolarHBondContact O-N 2.88Å; D456-V472 VanDerWaalsContact O-N 3.07Å; I458-V472 HydrophobicContact CD1-CG2 3.61Å; I458-V472 HydrophobicContact CG1-CG2 4.17Å; V472-V477 HydrophobicContact CG2-CG2 4.1Å
473	F	84.9	Confident	92.8	Very high	23 Å²	23	35.6 Å²	35.6	10%	0.101	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	99.7	177.8	-68.1	-54	0	0	0	109.6	Y455 V471 E475 D476 H478 R533 L565	Y455-F473 AromaticContact CD1-CD1 3.74Å; Y455-F473 HydrophobicContact CD1-CD1 3.74Å; Y455-F473 AromaticContact CD1-CE1 3.76Å; Y455-F473 HydrophobicContact CD1-CE1 3.76Å; Y455-F473 AromaticContact CE1-CD1 3.61Å; Y455-F473 HydrophobicContact CE1-CD1 3.61Å; Y455-F473 AromaticContact CE1-CE1 3.77Å; Y455-F473 HydrophobicContact CE1-CE1 3.77Å; V471-F473 HydrophobicContact CB-CE1 4.31Å; V471-F473 HydrophobicContact CB-CE2 3.9Å; V471-F473 HydrophobicContact CB-CZ 3.77Å; V471-F473 HydrophobicContact CG1-CD1 4.16Å; V471-F473 HydrophobicContact CG1-CE1 3.51Å; V471-F473 HydrophobicContact CG1-CE2 4.01Å; V471-F473 HydrophobicContact CG1-CZ 3.45Å; V471-F473 VanDerWaalsContact CG1-CZ 3.45Å; F473-E475 PolarHBondContact O-N 2.88Å; F473-D476 PolarHBondContact N-O 3.03Å; F473-D476 PolarHBondContact O-N 2.85Å; F473-H478 HydrophobicContact CD2-CB 3.72Å; F473-H478 HydrophobicContact CE2-CB 3.58Å; F473-R533 VanDerWaalsContact CD2-NH2 3.28Å; F473-R533 HydrophobicContact CE2-CB 4.3Å; F473-R533 HydrophobicContact CZ-CB 4.22Å; F473-L565 HydrophobicContact CE1-CB 3.72Å; F473-L565 HydrophobicContact CE1-CD1 4.3Å; F473-L565 HydrophobicContact CE1-CD2 4.49Å; F473-L565 HydrophobicContact CE1-CG 4.39Å; F473-L565 HydrophobicContact CZ-CB 4.1Å; F473-L565 HydrophobicContact CZ-CD2 4.36Å
474	E	78.3	Confident	92.8	Very high	187 Å²	187	36.2 Å²	36.2	87%	0.874	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	-90.2	-174.2	-57	-177.4	159.8	0	0	112.9	R431	R431-E474 PolarHBondContact NH1-O 3.14Å
475	E	75.3	Confident	92.8	Very high	116 Å²	116	31.8 Å²	31.8	54%	0.542	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-7.9	-175.7	-98.8	-162.5	-149.1	0	0	113.8	R429 F473	R429-E475 IonicContact CZ-OE2 3.36Å; R429-E475 IonicContact NH1-OE2 3.03Å; R429-E475 PolarHBondContact NH1-OE2 3.03Å; R429-E475 VanDerWaalsContact NH2-CB 3.28Å; R429-E475 PolarHBondContact NH2-O 2.89Å; R429-E475 IonicContact NH2-OE2 3.37Å; R429-E475 PolarHBondContact NH2-OE2 3.42Å; F473-E475 PolarHBondContact O-N 2.88Å
476	D	81.1	Confident	92.6	Very high	121 Å²	121	31.9 Å²	31.9	65%	0.647	16%	0.157	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	168.4	179.5	-72.1	-35.3	0	0	0	112.4	F473	F473-D476 PolarHBondContact N-O 3.03Å; F473-D476 PolarHBondContact O-N 2.85Å
477	V	90	Very high	92.1	Very high	28 Å²	28	37.4 Å²	37.4	17%	0.17	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.8	173	175.9	0	0	0	0	110.5	R431 L432 V471 V472	R431-V477 HydrophobicContact CB-CG2 4.12Å; R431-V477 WeakPolarHBondContact O-CG2 3.43Å; L432-V477 HydrophobicContact CB-CB 4.48Å; L432-V477 HydrophobicContact CB-CG1 4.28Å; L432-V477 HydrophobicContact CD1-CB 4.29Å; L432-V477 HydrophobicContact CD1-CG1 3.95Å; L432-V477 HydrophobicContact CD2-CG1 4.43Å; L432-V477 HydrophobicContact CG-CG1 4.45Å; V471-V477 WeakPolarHBondContact O-CA 3.43Å; V472-V477 HydrophobicContact CG2-CG2 4.1Å
478	H	92.4	Very high	91.6	Very high	20 Å²	20	42.6 Å²	42.6	9%	0.093	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.8	174.9	173.2	69.3	0	0	0	109.6	S470 V471 F473 V480 A532	S470-H478 CarbonylContact C-O 3.6Å; S470-H478 WeakPolarHBondContact CA-O 3.47Å; V471-H478 PolarHBondContact N-O 3.27Å; V471-H478 PolarHBondContact O-N 2.93Å; F473-H478 HydrophobicContact CD2-CB 3.72Å; F473-H478 HydrophobicContact CE2-CB 3.58Å; H478-V480 PolarHBondContact O-N 3.47Å; H478-A532 PolarHBondContact NE2-O 3.16Å
479	I	95.1	Very high	91.3	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	108.6	172.4	-51.2	-175.4	0	0	0	108.3	S44 P46 R47 L432 T434 H468	S44-I479 WeakPolarHBondContact OG-CD1 3.5Å; P46-I479 HydrophobicContact CB-CB 4.5Å; P46-I479 HydrophobicContact CB-CG2 3.77Å; P46-I479 HydrophobicContact CG-CG2 4.02Å; R47-I479 PolarHBondContact N-O 2.91Å; L432-I479 HydrophobicContact CD1-CD1 4.16Å; L432-I479 HydrophobicContact CD1-CG1 4.19Å; L432-I479 HydrophobicContact CD2-CD1 4.44Å; T434-I479 HydrophobicContact CG2-CD1 4.24Å; H468-I479 HydrophobicContact CB-CG2 4.32Å
480	V	96.2	Very high	91.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	-48.3	-178.2	176.2	0	0	0	0	110.7	R47 T48 K469 V471 H478 D534	R47-V480 WeakPolarHBondContact CB-O 3.49Å; T48-V480 PolarHBondContact N-O 3.17Å; T48-V480 PolarHBondContact OG1-O 3.44Å; T48-V480 VanDerWaalsContact OG1-O 3.05Å; K469-V480 PolarHBondContact O-N 3.26Å; V471-V480 HydrophobicContact CG2-CG2 3.66Å; H478-V480 PolarHBondContact O-N 3.47Å; V480-D534 HydrophobicContact CG1-CB 4.05Å
481	E	95.9	Very high	91.1	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	151	-174.2	59.5	-169.5	-177.9	0	0	113.4	T48 W50 H468 K469 I483 Y523	T48-E481 CarbonylContact O-C 3.29Å; T48-E481 VanDerWaalsContact O-CA 3.23Å; T48-E481 WeakPolarHBondContact O-CA 3.47Å; T48-E481 VanDerWaalsContact OG1-CB 3.32Å; T48-E481 WeakPolarHBondContact OG1-CB 3.21Å; W50-E481 PolarHBondContact NE1-OE2 3Å; H468-E481 WeakPolarHBondContact CA-O 3.33Å; K469-E481 HydrophobicContact CB-CG 3.97Å; K469-E481 VanDerWaalsContact CE-OE1 3.31Å; K469-E481 WeakPolarHBondContact CE-OE1 3.23Å; K469-E481 PolarHBondContact N-O 2.83Å; K469-E481 IonicContact NZ-OE1 2.69Å; K469-E481 PolarHBondContact NZ-OE1 3.3Å; K469-E481 PolarHBondContact O-N 2.75Å; E481-I483 HydrophobicContact CG-CD1 4.13Å; E481-I483 HydrophobicContact CG-CG1 4.38Å; E481-Y523 PolarHBondContact OE2-OH 2.87Å
482	E	96.4	Very high	91.2	Very high	62 Å²	62	50.2 Å²	50.2	29%	0.29	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142	162.2	65.7	173.1	-170.4	0	0	110.5	P46 T48 S49 W50 V466 L467 H468	P46-E482 HydrophobicContact CB-CB 3.9Å; P46-E482 HydrophobicContact CB-CG 3.89Å; P46-E482 HydrophobicContact CG-CB 3.9Å; P46-E482 HydrophobicContact CG-CG 4.04Å; T48-E482 PolarHBondContact O-N 2.65Å; S49-E482 WeakPolarHBondContact CB-OE1 3.48Å; S49-E482 VanDerWaalsContact OG-CD 3.3Å; S49-E482 WeakPolarHBondContact OG-CG 3.43Å; S49-E482 PolarHBondContact OG-OE1 3.43Å; W50-E482 PolarHBondContact N-O 3.02Å; V466-E482 HydrophobicContact CG1-CB 3.94Å; L467-E482 CarbonylContact O-C 3.6Å; L467-E482 WeakPolarHBondContact O-CA 3.14Å; H468-E482 VanDerWaalsContact CD2-CB 3.42Å; H468-E482 WeakPolarHBondContact CD2-CB 3.46Å; H468-E482 IonicContact NE2-OE2 2.73Å
483	I	97	Very high	91.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.01	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	120.9	-173.2	-62.4	151	0	0	0	109.5	W50 L55 V466 L467 E481 L485 F519	W50-I483 HydrophobicContact CB-CG1 4.44Å; L55-I483 HydrophobicContact CD1-CG1 4.4Å; L55-I483 HydrophobicContact CD1-CG2 3.55Å; V466-I483 CarbonylContact C-O 3.59Å; V466-I483 VanDerWaalsContact CA-O 3.31Å; V466-I483 WeakPolarHBondContact CA-O 3.29Å; L467-I483 HydrophobicContact CB-CB 4.41Å; L467-I483 HydrophobicContact CD2-CD1 4.34Å; L467-I483 PolarHBondContact N-O 3Å; L467-I483 PolarHBondContact O-N 3.01Å; E481-I483 HydrophobicContact CG-CD1 4.13Å; E481-I483 HydrophobicContact CG-CG1 4.38Å; I483-L485 HydrophobicContact CG2-CD2 3.7Å; I483-L485 HydrophobicContact CG2-CG 4.27Å; I483-L485 PolarHBondContact O-N 3.43Å; I483-F519 HydrophobicContact CD1-CD2 4.24Å; I483-F519 HydrophobicContact CD1-CE2 3.77Å; I483-F519 HydrophobicContact CG1-CE2 4.23Å
484	Q	96.7	Very high	92	Very high	63 Å²	63	53.7 Å²	53.7	29%	0.294	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	88	174.5	-174.3	66.1	52.6	0	0	111.3	W50 R52 K464 G465 L486	W50-Q484 PolarHBondContact O-N 2.86Å; W50-Q484 VanDerWaalsContact O-N 3.13Å; R52-Q484 WeakPolarHBondContact CB-O 3.39Å; K464-Q484 PolarHBondContact O-NE2 3.37Å; K464-Q484 VanDerWaalsContact O-NE2 3.16Å; G465-Q484 PolarHBondContact O-NE2 2.84Å; Q484-L486 PolarHBondContact NE2-O 2.85Å
485	L	95.8	Very high	92.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.232	C	C	.	.			trans	-73.1	-26.9	-179	-71.4	-170.4	0	0	0	114.6	R52 L57 G465 L467 I483 I492 A506 I513	R52-L485 PolarHBondContact NH1-O 3.13Å; R52-L485 PolarHBondContact NH2-O 3.36Å; L57-L485 HydrophobicContact CD1-CD2 3.97Å; L57-L485 HydrophobicContact CD2-CD2 4.2Å; G465-L485 WeakPolarHBondContact O-CA 3.18Å; G465-L485 PolarHBondContact O-N 3.12Å; L467-L485 HydrophobicContact CB-CD1 3.64Å; L467-L485 HydrophobicContact CB-CG 3.78Å; L467-L485 HydrophobicContact CD1-CD1 4.33Å; L467-L485 HydrophobicContact CD2-CD1 4.12Å; L467-L485 HydrophobicContact CG-CD1 4.25Å; I483-L485 HydrophobicContact CG2-CD2 3.7Å; I483-L485 HydrophobicContact CG2-CG 4.27Å; I483-L485 PolarHBondContact O-N 3.43Å; L485-I492 HydrophobicContact CD1-CD1 4.16Å; L485-A506 HydrophobicContact CD1-CB 3.68Å; L485-I513 HydrophobicContact CB-CG2 4.47Å; L485-I513 HydrophobicContact CD2-CG2 4.04Å; L485-I513 WeakPolarHBondContact O-CG1 3.46Å
486	L	92.8	Very high	94	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.217	C	C	.	.	S	Bend	trans	-115.8	143.3	-177.1	-56.6	173	0	0	0	112.4	R52 G465 Q484 E490 I492 S508 I513	R52-L486 PolarHBondContact NH1-O 2.03Å; G465-L486 PolarHBondContact O-N 2.84Å; Q484-L486 PolarHBondContact NE2-O 2.85Å; L486-E490 HydrophobicContact CB-CG 4.13Å; L486-E490 HydrophobicContact CD1-CG 3.49Å; L486-E490 VanDerWaalsContact CD1-CG 3.49Å; L486-E490 HydrophobicContact CG-CG 4.35Å; L486-I492 HydrophobicContact CD1-CG1 3.88Å; L486-S508 VanDerWaalsContact CD1-CB 3.44Å; L486-I513 HydrophobicContact CD2-CD1 4.3Å; L486-I513 HydrophobicContact CD2-CG1 3.58Å
487	K	86.1	Confident	94.7	Very high	134 Å²	134	37.2 Å²	37.2	58%	0.583	19%	0.193	S	C	*	.	S	Bend	trans	-69.9	-38.2	-172.1	-71.3	175.5	179.3	148.8	0	111.8	R52 E59	R52-K487 VanDerWaalsContact CZ-CG 3.47Å; R52-K487 VanDerWaalsContact NH1-N 3.15Å; E59-K487 IonicContact OE1-NZ 2.68Å; E59-K487 PolarHBondContact OE1-NZ 3.12Å; E59-K487 WeakPolarHBondContact OE2-CE 3.46Å; E59-K487 IonicContact OE2-NZ 2.74Å; E59-K487 PolarHBondContact OE2-NZ 3.46Å; E59-K487 VanDerWaalsContact OE2-NZ 3.09Å
488	N	87.7	Confident	95	Very high	110 Å²	110	35.9 Å²	35.9	59%	0.588	19%	0.186	S	C	*	.	S	Bend	trans	-102.3	155.5	173.7	-57	-40	0	0	0	108.3	E490	N488-E490 VanDerWaalsContact C-N 3.29Å; N488-E490 PolarHBondContact O-N 3.11Å
489	S	91.3	Very high	95	Very high	94 Å²	94	38.2 Å²	38.2	66%	0.657	20%	0.204	S	C	*	.	S	Bend	trans	-70.3	87	169.2	176.3	0	0	0	0	109.6
490	E	94.5	Very high	94.8	Very high	24 Å²	24	42.3 Å²	42.3	11%	0.112	22%	0.223	C	C	.	.			trans	-130.5	154.4	176.4	77.7	-178.9	160.5	0	0	109.7	D463 K464 G465 L486 N488 S508 S510	D463-E490 CarbonylContact O-C 3.58Å; D463-E490 VanDerWaalsContact O-C 3.29Å; K464-E490 CarbonylContact C-O 3.4Å; G465-E490 VanDerWaalsContact CA-O 3.24Å; G465-E490 WeakPolarHBondContact CA-O 3.43Å; G465-E490 PolarHBondContact N-O 3.27Å; L486-E490 HydrophobicContact CB-CG 4.13Å; L486-E490 HydrophobicContact CD1-CG 3.49Å; L486-E490 VanDerWaalsContact CD1-CG 3.49Å; L486-E490 HydrophobicContact CG-CG 4.35Å; N488-E490 VanDerWaalsContact C-N 3.29Å; N488-E490 PolarHBondContact O-N 3.11Å; E490-S508 VanDerWaalsContact OE1-CB 3.31Å; E490-S508 WeakPolarHBondContact OE1-CB 3.2Å; E490-S508 PolarHBondContact OE1-OG 2.96Å; E490-S510 WeakPolarHBondContact OE1-CB 3.18Å; E490-S510 PolarHBondContact OE1-OG 2.89Å; E490-S510 PolarHBondContact OE2-N 3Å; E490-S510 VanDerWaalsContact OE2-N 3.14Å
491	P	96.3	Very high	94.6	Very high	45 Å²	45	43.3 Å²	43.3	29%	0.292	23%	0.229	S	C	.	.			trans	-73.3	140.2	-176.3	28.7	-35.7	0	0	0	112.8	D463 K493	D463-P491 WeakPolarHBondContact O-CA 3.38Å; P491-K493 HydrophobicContact CG-CG 4.45Å; P491-K493 PolarHBondContact O-N 3.11Å
492	I	98.2	Very high	94.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.244	C	C	.	.			trans	-71.4	118.8	161.6	-66.2	166.1	0	0	0	107.5	T440 Q441 T462 V466 L485 L486 N494 L495 A506	T440-I492 WeakPolarHBondContact CB-O 3.29Å; T440-I492 PolarHBondContact OG1-O 2.84Å; Q441-I492 HydrophobicContact CB-CG2 4.42Å; Q441-I492 HydrophobicContact CG-CG2 4.25Å; T462-I492 PolarHBondContact O-N 2.92Å; T462-I492 VanDerWaalsContact O-N 3.08Å; V466-I492 WeakPolarHBondContact O-CD1 3.37Å; L485-I492 HydrophobicContact CD1-CD1 4.16Å; L486-I492 HydrophobicContact CD1-CG1 3.88Å; I492-N494 WeakPolarHBondContact CG2-O 3.42Å; I492-L495 HydrophobicContact CG2-CD1 4.38Å; I492-A506 HydrophobicContact CD1-CB 4.48Å; I492-A506 HydrophobicContact CG1-CB 4.41Å; I492-A506 HydrophobicContact CG2-CB 4.09Å
493	K	96.9	Very high	94.5	Very high	79 Å²	79	44.7 Å²	44.7	34%	0.343	23%	0.233	S	C	.	.			trans	-101.3	-21.1	-174.4	-65.7	-167.1	175.9	-177.4	0	114.1	Q441 P491 G507 D509	Q441-K493 PolarHBondContact OE1-O 3.04Å; P491-K493 HydrophobicContact CG-CG 4.45Å; P491-K493 PolarHBondContact O-N 3.11Å; K493-G507 PolarHBondContact N-O 2.82Å; K493-D509 VanDerWaalsContact CE-OD1 3.31Å; K493-D509 WeakPolarHBondContact CE-OD1 3.45Å; K493-D509 VanDerWaalsContact CE-OD2 3.32Å; K493-D509 WeakPolarHBondContact CE-OD2 3.2Å; K493-D509 IonicContact NZ-OD1 2.74Å; K493-D509 PolarHBondContact NZ-OD1 3.26Å; K493-D509 IonicContact NZ-OD2 2.96Å; K493-D509 PolarHBondContact NZ-OD2 3.07Å
494	N	97.6	Very high	94.5	Very high	33 Å²	33	44.6 Å²	44.6	18%	0.176	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.9	173.9	-164.2	-94.2	0	0	0	109.6	L71 Q441 I492 A506 G507	L71-N494 VanDerWaalsContact CB-OD1 3.31Å; L71-N494 WeakPolarHBondContact CB-OD1 3.46Å; L71-N494 HydrophobicContact CD1-CB 4.19Å; L71-N494 WeakPolarHBondContact CD1-OD1 3.4Å; L71-N494 HydrophobicContact CG-CB 4.08Å; L71-N494 WeakPolarHBondContact CG-OD1 3.05Å; Q441-N494 VanDerWaalsContact OE1-CA 3.26Å; I492-N494 WeakPolarHBondContact CG2-O 3.42Å; N494-A506 WeakPolarHBondContact O-CA 3.26Å; N494-G507 PolarHBondContact N-O 2.87Å; N494-G507 PolarHBondContact O-N 3.29Å
495	L	98.2	Very high	94.6	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.031	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125.6	177.4	-164.1	66.7	0	0	0	109.3	Q441 V443 F459 L467 I492 V504 Y505 A506	Q441-L495 HydrophobicContact CB-CB 3.71Å; Q441-L495 HydrophobicContact CB-CD2 4.31Å; Q441-L495 HydrophobicContact CG-CB 4.37Å; V443-L495 HydrophobicContact CG1-CB 4.21Å; V443-L495 HydrophobicContact CG1-CD2 4.37Å; V443-L495 HydrophobicContact CG1-CG 4.1Å; V443-L495 WeakPolarHBondContact CG1-O 3.39Å; V443-L495 HydrophobicContact CG2-CD2 3.84Å; V443-L495 HydrophobicContact CG2-CG 3.94Å; F459-L495 HydrophobicContact CB-CD2 4.5Å; L467-L495 HydrophobicContact CD1-CD1 3.93Å; L467-L495 HydrophobicContact CD1-CD2 3.98Å; I492-L495 HydrophobicContact CG2-CD1 4.38Å; L495-V504 HydrophobicContact CD1-CG1 3.44Å; L495-V504 VanDerWaalsContact CD1-CG1 3.44Å; L495-V504 HydrophobicContact CG-CG1 4.11Å; L495-Y505 CarbonylContact C-O 3.48Å; L495-Y505 WeakPolarHBondContact CA-O 3.44Å; L495-A506 HydrophobicContact CD1-CB 3.97Å
496	L	97.8	Very high	94.7	Very high	42 Å²	42	41.5 Å²	41.5	22%	0.22	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	156.5	173.2	-65.6	-175.2	0	0	0	110.5	L71 L73 L80 V504 Y505	L71-L496 HydrophobicContact CB-CD1 3.45Å; L71-L496 VanDerWaalsContact CB-CD1 3.45Å; L71-L496 HydrophobicContact CB-CG 3.99Å; L71-L496 HydrophobicContact CD1-CG 4.42Å; L73-L496 HydrophobicContact CB-CD1 3.97Å; L80-L496 HydrophobicContact CD1-CD1 4.21Å; L496-V504 CarbonylContact O-C 3.6Å; L496-V504 WeakPolarHBondContact O-CA 3.22Å; L496-Y505 HydrophobicContact CB-CD2 4.21Å; L496-Y505 PolarHBondContact N-O 2.94Å; L496-Y505 PolarHBondContact O-N 3.44Å
497	L	97	Very high	95	Very high	29 Å²	29	41.5 Å²	41.5	15%	0.152	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	134.4	175.3	172.6	125.4	0	0	0	109.6	V443 E445 F459 S503 V504 T517	V443-L497 HydrophobicContact CB-CB 4.15Å; V443-L497 HydrophobicContact CG2-CB 3.84Å; V443-L497 HydrophobicContact CG2-CD1 4.46Å; E445-L497 HydrophobicContact CB-CD1 4.17Å; E445-L497 HydrophobicContact CB-CD2 3.84Å; E445-L497 HydrophobicContact CG-CD2 4.15Å; F459-L497 HydrophobicContact CD2-CD1 3.89Å; F459-L497 HydrophobicContact CE2-CD1 3.62Å; F459-L497 HydrophobicContact CZ-CD1 4.4Å; L497-S503 WeakPolarHBondContact CA-O 3.43Å; L497-V504 HydrophobicContact CD1-CG2 4.01Å; L497-T517 HydrophobicContact CD1-CG2 3.99Å
498	S	95.6	Very high	95.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	117.3	166.5	175.2	0	0	0	0	109.7	E75 E500 T501 R502 S503	E75-S498 WeakPolarHBondContact OE1-CB 3.39Å; E75-S498 PolarHBondContact OE1-OG 3.34Å; E75-S498 PolarHBondContact OE2-OG 2.62Å; S498-E500 PolarHBondContact O-N 3.33Å; S498-E500 PolarHBondContact OG-N 2.88Å; S498-T501 VanDerWaalsContact CB-OG1 3.26Å; S498-T501 WeakPolarHBondContact CB-OG1 3.31Å; S498-T501 PolarHBondContact OG-N 3.39Å; S498-T501 VanDerWaalsContact OG-N 3.1Å; S498-T501 PolarHBondContact OG-OG1 2.75Å; S498-R502 VanDerWaalsContact O-CA 3.27Å; S498-R502 WeakPolarHBondContact O-CA 3.37Å; S498-R502 PolarHBondContact O-N 3.09Å; S498-S503 PolarHBondContact N-O 3.32Å; S498-S503 PolarHBondContact O-N 3.34Å
499	S	91.4	Very high	96	Very high	69 Å²	69	31.8 Å²	31.8	48%	0.483	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.9	168.8	-58.2	0	0	0	0	112.4	E445	E445-S499 WeakPolarHBondContact OE1-CA 3.17Å; E445-S499 WeakPolarHBondContact OE1-CB 3.43Å; E445-S499 PolarHBondContact OE1-OG 2.93Å
500	E	91.5	Very high	96.2	Very high	91 Å²	91	29.2 Å²	29.2	43%	0.425	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-43.9	-178.7	-160.1	-149.3	109.1	0	0	111.8	K93 R94 S498	K93-E500 WeakPolarHBondContact CE-OE1 3.38Å; K93-E500 IonicContact NZ-OE1 3.32Å; K93-E500 PolarHBondContact NZ-OE1 2.75Å; K93-E500 IonicContact NZ-OE2 3.46Å; K93-E500 PolarHBondContact NZ-OE2 3.02Å; R94-E500 IonicContact CZ-OE1 2.8Å; R94-E500 IonicContact NH1-OE1 2.61Å; R94-E500 PolarHBondContact NH1-OE1 2.89Å; R94-E500 IonicContact NH2-OE1 2.74Å; R94-E500 PolarHBondContact NH2-OE1 3.25Å; S498-E500 PolarHBondContact O-N 3.33Å; S498-E500 PolarHBondContact OG-N 2.88Å
501	T	91.9	Very high	96.3	Very high	21 Å²	21	28.1 Å²	28.1	13%	0.129	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-3.9	175.6	69.6	0	0	0	0	113.6	K93 R94 S498 S503 Y505	K93-T501 HydrophobicContact CB-CG2 4.48Å; K93-T501 HydrophobicContact CD-CG2 3.83Å; K93-T501 VanDerWaalsContact CE-CG2 3.5Å; K93-T501 HydrophobicContact CG-CG2 3.74Å; R94-T501 HydrophobicContact CG-CG2 4.08Å; S498-T501 VanDerWaalsContact CB-OG1 3.26Å; S498-T501 WeakPolarHBondContact CB-OG1 3.31Å; S498-T501 PolarHBondContact OG-N 3.39Å; S498-T501 VanDerWaalsContact OG-N 3.1Å; S498-T501 PolarHBondContact OG-OG1 2.75Å; T501-S503 PolarHBondContact O-N 3.16Å; T501-S503 PolarHBondContact O-OG 3.44Å; T501-S503 VanDerWaalsContact OG1-CB 3.3Å; T501-S503 WeakPolarHBondContact OG1-CB 3.29Å; T501-S503 PolarHBondContact OG1-OG 3.11Å; T501-Y505 PolarHBondContact OG1-OH 3.4Å
502	R	93.3	Very high	96.4	Very high	84 Å²	84	26 Å²	26	32%	0.317	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	41	-177.5	-56.7	163.5	-169	179.1	-6.9	111.4	S498 P516 T517 L550 D551	S498-R502 VanDerWaalsContact O-CA 3.27Å; S498-R502 WeakPolarHBondContact O-CA 3.37Å; S498-R502 PolarHBondContact O-N 3.09Å; R502-P516 WeakPolarHBondContact O-CA 3.27Å; R502-T517 PolarHBondContact O-N 3.3Å; R502-T517 PolarHBondContact O-OG1 3.24Å; R502-L550 HydrophobicContact CG-CD1 4.26Å; R502-L550 VanDerWaalsContact CZ-CB 3.42Å; R502-L550 PolarHBondContact NH1-O 3.37Å; R502-L550 PolarHBondContact NH2-O 2.92Å; R502-D551 IonicContact CZ-OD1 3.58Å; R502-D551 IonicContact NH1-OD1 2.75Å; R502-D551 PolarHBondContact NH1-OD1 2.71Å
503	S	96.1	Very high	96.4	Very high	7 Å²	7	26 Å²	26	5%	0.049	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.9	-173	-61.3	0	0	0	0	111.8	L497 S498 T501 Q514 S515	L497-S503 WeakPolarHBondContact CA-O 3.43Å; S498-S503 PolarHBondContact N-O 3.32Å; S498-S503 PolarHBondContact O-N 3.34Å; T501-S503 PolarHBondContact O-N 3.16Å; T501-S503 PolarHBondContact O-OG 3.44Å; T501-S503 VanDerWaalsContact OG1-CB 3.3Å; T501-S503 WeakPolarHBondContact OG1-CB 3.29Å; T501-S503 PolarHBondContact OG1-OG 3.11Å; S503-Q514 PolarHBondContact OG-NE2 3.15Å; S503-S515 CarbonylContact C-O 3.47Å; S503-S515 VanDerWaalsContact CA-O 3.27Å; S503-S515 WeakPolarHBondContact CA-O 3.48Å
504	V	98.1	Very high	96.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	129	165.7	178.4	0	0	0	0	108.1	F459 L467 L495 L496 L497 Q514 S515 T517	F459-V504 HydrophobicContact CD1-CG2 3.89Å; F459-V504 HydrophobicContact CD2-CG2 4.37Å; F459-V504 HydrophobicContact CE1-CG2 3.93Å; F459-V504 HydrophobicContact CE2-CG2 4.43Å; F459-V504 HydrophobicContact CG-CG2 4.1Å; F459-V504 HydrophobicContact CZ-CG2 4.22Å; L467-V504 HydrophobicContact CD1-CG1 4.33Å; L467-V504 HydrophobicContact CD2-CB 4.49Å; L467-V504 HydrophobicContact CD2-CG1 4.11Å; L495-V504 HydrophobicContact CD1-CG1 3.44Å; L495-V504 VanDerWaalsContact CD1-CG1 3.44Å; L495-V504 HydrophobicContact CG-CG1 4.11Å; L496-V504 CarbonylContact O-C 3.6Å; L496-V504 WeakPolarHBondContact O-CA 3.22Å; L497-V504 HydrophobicContact CD1-CG2 4.01Å; V504-Q514 WeakPolarHBondContact O-CA 3.39Å; V504-S515 PolarHBondContact N-O 3.27Å; V504-S515 PolarHBondContact O-N 2.99Å; V504-T517 HydrophobicContact CG2-CG2 4.3Å
505	Y	98.6	Very high	96.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.6	176.6	-48.4	-87.7	0	0	0	109.7	L73 L80 K93 V96 L495 L496 T501 I513 Q514	L73-Y505 HydrophobicContact CD1-CE2 4.15Å; L80-Y505 HydrophobicContact CD2-CD1 3.66Å; L80-Y505 HydrophobicContact CD2-CE1 4.12Å; L80-Y505 HydrophobicContact CD2-CG 4.06Å; K93-Y505 WeakPolarHBondContact O-CE1 3.38Å; K93-Y505 PolarHBondContact O-OH 2.89Å; V96-Y505 HydrophobicContact CG1-CD1 3.85Å; V96-Y505 HydrophobicContact CG1-CE1 3.92Å; L495-Y505 CarbonylContact C-O 3.48Å; L495-Y505 WeakPolarHBondContact CA-O 3.44Å; L496-Y505 HydrophobicContact CB-CD2 4.21Å; L496-Y505 PolarHBondContact N-O 2.94Å; L496-Y505 PolarHBondContact O-N 3.44Å; T501-Y505 PolarHBondContact OG1-OH 3.4Å; Y505-I513 CarbonylContact C-O 3.55Å; Y505-I513 VanDerWaalsContact CA-O 3.26Å; Y505-I513 WeakPolarHBondContact CA-O 3.31Å; Y505-Q514 HydrophobicContact CD1-CB 3.98Å; Y505-Q514 HydrophobicContact CD1-CG 3.94Å; Y505-Q514 HydrophobicContact CE1-CB 4.22Å; Y505-Q514 HydrophobicContact CE1-CG 3.73Å
506	A	98.4	Very high	96.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.2	178.9	0	0	0	0	0	110.7	L485 I492 N494 L495 V512 I513	L485-A506 HydrophobicContact CD1-CB 3.68Å; I492-A506 HydrophobicContact CD1-CB 4.48Å; I492-A506 HydrophobicContact CG1-CB 4.41Å; I492-A506 HydrophobicContact CG2-CB 4.09Å; N494-A506 WeakPolarHBondContact O-CA 3.26Å; L495-A506 HydrophobicContact CD1-CB 3.97Å; A506-V512 CarbonylContact O-C 3.47Å; A506-V512 WeakPolarHBondContact O-CA 3.29Å; A506-I513 PolarHBondContact N-O 3.36Å; A506-I513 PolarHBondContact O-N 2.83Å
507	G	98.3	Very high	96.3	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	137.2	175.4	0	0	0	0	0	112.1	Y68 K493 N494	Y68-G507 WeakPolarHBondContact O-CA 3.24Å; K493-G507 PolarHBondContact N-O 2.82Å; N494-G507 PolarHBondContact N-O 2.87Å; N494-G507 PolarHBondContact O-N 3.29Å
508	S	97.8	Very high	96.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.			trans	-137.3	-171.5	-179.6	80.8	0	0	0	0	112.6	Y68 L486 E490 S510 G511	Y68-S508 WeakPolarHBondContact CB-O 3.49Å; Y68-S508 PolarHBondContact N-O 2.79Å; L486-S508 VanDerWaalsContact CD1-CB 3.44Å; E490-S508 VanDerWaalsContact OE1-CB 3.31Å; E490-S508 WeakPolarHBondContact OE1-CB 3.2Å; E490-S508 PolarHBondContact OE1-OG 2.96Å; S508-S510 PolarHBondContact OG-N 3.15Å; S508-S510 PolarHBondContact OG-OG 3.28Å; S508-G511 PolarHBondContact N-O 3.16Å; S508-G511 PolarHBondContact OG-N 3.07Å; S508-G511 PolarHBondContact OG-O 3.26Å
509	D	96.5	Very high	96.2	Very high	41 Å²	41	22 Å²	22	22%	0.219	12%	0.123	C	C	.	.	S	Bend	trans	-74.3	-28.1	172.7	-75.4	-25.2	0	0	0	113.4	F66 N67 K493	F66-D509 CarbonylContact C-O 3.5Å; F66-D509 WeakPolarHBondContact CA-O 3.26Å; F66-D509 WeakPolarHBondContact CB-O 3.39Å; N67-D509 WeakPolarHBondContact CA-OD1 3.36Å; N67-D509 PolarHBondContact N-O 3.3Å; N67-D509 VanDerWaalsContact ND2-CG 3.27Å; N67-D509 PolarHBondContact ND2-OD1 3.34Å; K493-D509 VanDerWaalsContact CE-OD1 3.31Å; K493-D509 WeakPolarHBondContact CE-OD1 3.45Å; K493-D509 VanDerWaalsContact CE-OD2 3.32Å; K493-D509 WeakPolarHBondContact CE-OD2 3.2Å; K493-D509 IonicContact NZ-OD1 2.74Å; K493-D509 PolarHBondContact NZ-OD1 3.26Å; K493-D509 IonicContact NZ-OD2 2.96Å; K493-D509 PolarHBondContact NZ-OD2 3.07Å
510	S	96.3	Very high	96.4	Very high	40 Å²	40	19 Å²	19	28%	0.28	10%	0.101	S	C	.	.	S	Bend	trans	-89.7	-28.2	179	75.7	0	0	0	0	115.4	S61 Y68 E490 S508	S61-S510 VanDerWaalsContact CB-O 3.3Å; S61-S510 WeakPolarHBondContact CB-O 3.32Å; Y68-S510 WeakPolarHBondContact CE2-O 3.32Å; E490-S510 WeakPolarHBondContact OE1-CB 3.18Å; E490-S510 PolarHBondContact OE1-OG 2.89Å; E490-S510 PolarHBondContact OE2-N 3Å; E490-S510 VanDerWaalsContact OE2-N 3.14Å; S508-S510 PolarHBondContact OG-N 3.15Å; S508-S510 PolarHBondContact OG-OG 3.28Å
511	G	97.1	Very high	96.6	Very high	1 Å²	1	18 Å²	18	1%	0.01	12%	0.116	C	C	.	.			trans	-179.6	-164.3	-176.9	0	0	0	0	0	115.7	F60 S508	F60-G511 CarbonylContact O-C 3.19Å; F60-G511 WeakPolarHBondContact O-CA 3.04Å; S508-G511 PolarHBondContact N-O 3.16Å; S508-G511 PolarHBondContact OG-N 3.07Å; S508-G511 PolarHBondContact OG-O 3.26Å
512	V	98.4	Very high	96.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	132.2	169.5	-179.2	0	0	0	0	109	E59 F60 Y68 L71 L80 V82 A506	E59-V512 WeakPolarHBondContact CA-O 3.19Å; F60-V512 PolarHBondContact N-O 2.58Å; F60-V512 PolarHBondContact O-N 2.97Å; Y68-V512 HydrophobicContact CD1-CG2 4.22Å; Y68-V512 HydrophobicContact CG-CG2 4.24Å; L71-V512 HydrophobicContact CD2-CG1 4.4Å; L71-V512 HydrophobicContact CD2-CG2 3.89Å; L80-V512 HydrophobicContact CD2-CG1 4.27Å; V82-V512 HydrophobicContact CG1-CG2 3.82Å; V82-V512 HydrophobicContact CG2-CG2 4.18Å; A506-V512 CarbonylContact O-C 3.47Å; A506-V512 WeakPolarHBondContact O-CA 3.29Å
513	I	98	Very high	96.7	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.2	177	-52.3	-61.3	0	0	0	109.4	R52 L57 L58 E59 L485 L486 Y505 A506	R52-I513 VanDerWaalsContact NH2-CD1 3.25Å; L57-I513 HydrophobicContact CB-CG2 4.41Å; L57-I513 HydrophobicContact CD1-CG2 4.45Å; L58-I513 CarbonylContact O-C 3.59Å; L58-I513 WeakPolarHBondContact O-CA 3.26Å; E59-I513 HydrophobicContact CB-CD1 3.7Å; E59-I513 HydrophobicContact CG-CD1 3.51Å; L485-I513 HydrophobicContact CB-CG2 4.47Å; L485-I513 HydrophobicContact CD2-CG2 4.04Å; L485-I513 WeakPolarHBondContact O-CG1 3.46Å; L486-I513 HydrophobicContact CD2-CD1 4.3Å; L486-I513 HydrophobicContact CD2-CG1 3.58Å; Y505-I513 CarbonylContact C-O 3.55Å; Y505-I513 VanDerWaalsContact CA-O 3.26Å; Y505-I513 WeakPolarHBondContact CA-O 3.31Å; A506-I513 PolarHBondContact N-O 3.36Å; A506-I513 PolarHBondContact O-N 2.83Å
514	Q	98.2	Very high	96.4	Very high	12 Å²	12	19.8 Å²	19.8	6%	0.056	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.5	168.5	177.6	-166.8	-4.4	0	0	108.6	L58 R94 V96 S503 V504 Y505	L58-Q514 HydrophobicContact CB-CB 4.19Å; L58-Q514 PolarHBondContact N-O 3.3Å; L58-Q514 VanDerWaalsContact N-O 3.13Å; L58-Q514 PolarHBondContact O-N 2.8Å; R94-Q514 PolarHBondContact O-NE2 3.17Å; R94-Q514 PolarHBondContact O-OE1 3.16Å; V96-Q514 HydrophobicContact CB-CB 4.36Å; V96-Q514 HydrophobicContact CG1-CB 3.86Å; V96-Q514 HydrophobicContact CG1-CG 4.46Å; V96-Q514 HydrophobicContact CG2-CB 3.58Å; S503-Q514 PolarHBondContact OG-NE2 3.15Å; V504-Q514 WeakPolarHBondContact O-CA 3.39Å; Y505-Q514 HydrophobicContact CD1-CB 3.98Å; Y505-Q514 HydrophobicContact CD1-CG 3.94Å; Y505-Q514 HydrophobicContact CE1-CB 4.22Å; Y505-Q514 HydrophobicContact CE1-CG 3.73Å
515	S	97.6	Very high	96.1	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.007	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.7	174.2	-178.6	0	0	0	0	109.6	S503 V504 F519	S503-S515 CarbonylContact C-O 3.47Å; S503-S515 VanDerWaalsContact CA-O 3.27Å; S503-S515 WeakPolarHBondContact CA-O 3.48Å; V504-S515 PolarHBondContact N-O 3.27Å; V504-S515 PolarHBondContact O-N 2.99Å; S515-F519 WeakPolarHBondContact OG-CZ 3.47Å
516	P	96.4	Very high	95.8	Very high	53 Å²	53	21.5 Å²	21.5	34%	0.344	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	156.5	160.6	-23.1	34	0	0	0	111.9	R502 A518 F519	R502-P516 WeakPolarHBondContact O-CA 3.27Å; P516-A518 VanDerWaalsContact C-N 3.29Å; P516-A518 PolarHBondContact O-N 3.09Å; P516-F519 HydrophobicContact CB-CE1 4.47Å; P516-F519 HydrophobicContact CG-CE1 3.98Å; P516-F519 HydrophobicContact CG-CZ 4.33Å
517	T	95.8	Very high	95.5	Very high	4 Å²	4	23 Å²	23	3%	0.025	15%	0.151	C	C	.	.	S	Bend	trans	-71.2	-20	173.4	48.1	0	0	0	0	113.8	F459 K469 L497 R502 V504	F459-T517 HydrophobicContact CE2-CG2 4.4Å; F459-T517 HydrophobicContact CZ-CG2 3.89Å; K469-T517 WeakPolarHBondContact CD-O 3.18Å; K469-T517 PolarHBondContact NZ-O 3.03Å; K469-T517 VanDerWaalsContact NZ-O 3.08Å; L497-T517 HydrophobicContact CD1-CG2 3.99Å; R502-T517 PolarHBondContact O-N 3.3Å; R502-T517 PolarHBondContact O-OG1 3.24Å; V504-T517 HydrophobicContact CG2-CG2 4.3Å
518	A	95.8	Very high	95.2	Very high	15 Å²	15	23.7 Å²	23.7	12%	0.124	15%	0.154	C	C	.	.			trans	-153.8	150.2	174.5	0	0	0	0	0	113.4	P516 Y536	P516-A518 VanDerWaalsContact C-N 3.29Å; P516-A518 PolarHBondContact O-N 3.09Å; A518-Y536 HydrophobicContact CB-CD2 3.8Å; A518-Y536 HydrophobicContact CB-CG 3.93Å
519	F	95.6	Very high	95.1	Very high	21 Å²	21	23.8 Å²	23.8	9%	0.092	16%	0.155	C	C	.	.			trans	-108.6	45.1	177.2	-64.8	-76.8	0	0	0	112.1	L55 L57 I483 S515 P516 G521 K522	L55-F519 HydrophobicContact CB-CE1 4.34Å; L55-F519 HydrophobicContact CB-CZ 4.46Å; L55-F519 HydrophobicContact CD1-CD2 4.41Å; L55-F519 HydrophobicContact CD1-CE1 4.36Å; L55-F519 HydrophobicContact CD1-CE2 3.88Å; L55-F519 HydrophobicContact CD1-CZ 3.84Å; L55-F519 HydrophobicContact CD2-CD1 3.81Å; L55-F519 HydrophobicContact CD2-CD2 4.22Å; L55-F519 HydrophobicContact CD2-CE1 3.94Å; L55-F519 HydrophobicContact CD2-CE2 4.35Å; L55-F519 HydrophobicContact CD2-CG 3.95Å; L55-F519 HydrophobicContact CD2-CZ 4.21Å; L55-F519 HydrophobicContact CG-CE1 4.45Å; L55-F519 HydrophobicContact CG-CZ 4.42Å; L57-F519 HydrophobicContact CD2-CZ 3.86Å; I483-F519 HydrophobicContact CD1-CD2 4.24Å; I483-F519 HydrophobicContact CD1-CE2 3.77Å; I483-F519 HydrophobicContact CG1-CE2 4.23Å; S515-F519 WeakPolarHBondContact OG-CZ 3.47Å; P516-F519 HydrophobicContact CB-CE1 4.47Å; P516-F519 HydrophobicContact CG-CE1 3.98Å; P516-F519 HydrophobicContact CG-CZ 4.33Å; F519-G521 PolarHBondContact O-N 3.06Å; F519-K522 HydrophobicContact CB-CG 3.9Å; F519-K522 VanDerWaalsContact O-CB 3.3Å; F519-K522 WeakPolarHBondContact O-CB 3.21Å; F519-K522 WeakPolarHBondContact O-CG 3.48Å; F519-K522 PolarHBondContact O-N 2.91Å
520	C	95.9	Very high	95	Very high	5 Å²	5	22 Å²	22	3%	0.034	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-48.3	-40.1	-170.9	-54.7	0	0	0	0	114.4	K522 Y523 C537 C546	C520-K522 PolarHBondContact O-N 3.4Å; C520-Y523 WeakPolarHBondContact O-CD2 3.3Å; C520-Y523 PolarHBondContact O-N 3.1Å; C520-C537 WeakPolarHBondContact CA-SG 3.19Å; C520-C537 HydrophobicContact CB-CB 3.72Å; C520-C537 WeakPolarHBondContact CB-SG 3.43Å; C520-C537 WeakPolarHBondContact SG-CA 3.34Å; C520-C537 WeakPolarHBondContact SG-CB 3.49Å; C520-C537 CovalentContact SG-SG 2.04Å; C520-C537 PolarHBondContact SG-SG 3.02Å; C520-C546 CarbonylContact C-O 3.47Å; C520-C546 VanDerWaalsContact O-CB 3.26Å; C520-C546 WeakPolarHBondContact O-CB 3.39Å; C520-C546 PolarHBondContact O-SG 2.94Å
521	G	94.7	Very high	94.9	Very high	71 Å²	71	20.8 Å²	20.8	73%	0.732	14%	0.136	S	C	*	.	G	3₁₀ helix	trans	-63.5	-6.8	178.1	0	0	0	0	0	115.8	F519 C546	F519-G521 PolarHBondContact O-N 3.06Å; G521-C546 PolarHBondContact N-O 3.42Å
522	K	93.9	Very high	94.8	Very high	76 Å²	76	20.8 Å²	20.8	33%	0.33	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-78.6	-23.6	169.7	-63.3	-60.7	-168.9	-175.6	0	113	W50 D54 F519 C520 S524	W50-K522 HydrophobicContact CH2-CB 3.52Å; W50-K522 HydrophobicContact CH2-CG 4.09Å; W50-K522 HydrophobicContact CZ2-CB 3.69Å; W50-K522 HydrophobicContact CZ2-CG 4.21Å; W50-K522 HydrophobicContact CZ3-CB 4.2Å; W50-K522 HydrophobicContact CZ3-CG 4.34Å; D54-K522 VanDerWaalsContact O-CE 3.24Å; D54-K522 WeakPolarHBondContact O-CE 3.45Å; D54-K522 PolarHBondContact O-NZ 3.38Å; F519-K522 HydrophobicContact CB-CG 3.9Å; F519-K522 VanDerWaalsContact O-CB 3.3Å; F519-K522 WeakPolarHBondContact O-CB 3.21Å; F519-K522 WeakPolarHBondContact O-CG 3.48Å; F519-K522 PolarHBondContact O-N 2.91Å; C520-K522 PolarHBondContact O-N 3.4Å; K522-S524 PolarHBondContact O-N 2.98Å
523	Y	93.4	Very high	94.7	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	14%	0.14	C	C	.	.			trans	-80.3	105.3	176.7	-51.4	-52	0	0	0	109.7	T48 W50 E481 C520 T525 A532 C546	T48-Y523 HydrophobicContact CG2-CE1 4.4Å; W50-Y523 HydrophobicContact CZ2-CE1 4.16Å; E481-Y523 PolarHBondContact OE2-OH 2.87Å; C520-Y523 WeakPolarHBondContact O-CD2 3.3Å; C520-Y523 PolarHBondContact O-N 3.1Å; Y523-T525 PolarHBondContact O-N 3.39Å; Y523-A532 HydrophobicContact CD1-CB 4.14Å; Y523-A532 HydrophobicContact CD2-CB 3.95Å; Y523-A532 HydrophobicContact CE1-CB 3.8Å; Y523-A532 HydrophobicContact CE2-CB 3.56Å; Y523-A532 HydrophobicContact CG-CB 4.24Å; Y523-A532 VanDerWaalsContact CZ-CB 3.5Å; Y523-C546 VanDerWaalsContact O-CB 3.25Å; Y523-C546 WeakPolarHBondContact O-CB 3.39Å
524	S	90.4	Very high	94.6	Very high	71 Å²	71	21.8 Å²	21.8	50%	0.497	14%	0.139	S	C	.	.			trans	-78	-16.8	-163.4	58.1	0	0	0	0	115.6	K522	K522-S524 PolarHBondContact O-N 2.98Å
525	T	90.6	Very high	94.5	Very high	30 Å²	30	21.2 Å²	21.2	18%	0.184	14%	0.137	C	C	.	.	S	Bend	trans	-140.1	166.6	179.6	70.2	0	0	0	0	111.2	Y523 D527 D528 C529 W539 R660	Y523-T525 PolarHBondContact O-N 3.39Å; T525-D527 VanDerWaalsContact C-N 3.32Å; T525-D527 PolarHBondContact O-N 2.74Å; T525-D528 PolarHBondContact O-N 2.93Å; T525-C529 WeakPolarHBondContact O-CB 3.49Å; T525-C529 PolarHBondContact O-N 2.84Å; T525-W539 VanDerWaalsContact C-CE3 3.43Å; T525-R660 VanDerWaalsContact CG2-NH2 3.3Å; T525-R660 PolarHBondContact OG1-NH1 3.48Å
526	C	93.3	Very high	94.5	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-52.8	-49.1	175	-173.7	0	0	0	0	111.9	D528 C529 V530 W539 C572	C526-D528 VanDerWaalsContact C-N 3.33Å; C526-D528 PolarHBondContact O-N 3.13Å; C526-C529 WeakPolarHBondContact O-CB 3.35Å; C526-C529 PolarHBondContact O-N 2.78Å; C526-V530 WeakPolarHBondContact O-CB 3.35Å; C526-V530 WeakPolarHBondContact O-CG2 3.42Å; C526-V530 PolarHBondContact O-N 2.86Å; C526-W539 VanDerWaalsContact CA-CD2 3.46Å; C526-W539 HydrophobicContact CB-CB 4.26Å; C526-W539 HydrophobicContact CB-CD2 3.67Å; C526-W539 HydrophobicContact CB-CE3 4.33Å; C526-W539 HydrophobicContact CB-CG 3.61Å; C526-W539 HydrophobicContact CB-CZ2 4.42Å; C526-W539 VanDerWaalsContact N-CE3 3.31Å; C526-C572 HydrophobicContact CB-CB 3.67Å; C526-C572 WeakPolarHBondContact CB-SG 3.39Å; C526-C572 WeakPolarHBondContact SG-CA 3.3Å; C526-C572 WeakPolarHBondContact SG-CB 3.48Å; C526-C572 CovalentContact SG-SG 2.04Å; C526-C572 PolarHBondContact SG-SG 2.68Å
527	D	91.6	Very high	94.5	Very high	32 Å²	32	18.8 Å²	18.8	17%	0.171	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-46.1	-179.9	-44.3	-123.5	0	0	0	111.8	T525 V530 L531 A569	T525-D527 VanDerWaalsContact C-N 3.32Å; T525-D527 PolarHBondContact O-N 2.74Å; D527-V530 PolarHBondContact O-N 3.31Å; D527-L531 WeakPolarHBondContact O-CB 3.47Å; D527-L531 WeakPolarHBondContact O-CD1 3.47Å; D527-L531 WeakPolarHBondContact O-CG 3.42Å; D527-L531 PolarHBondContact O-N 3.01Å; D527-A569 HydrophobicContact CB-CB 4.48Å
528	D	91.9	Very high	94.5	Very high	14 Å²	14	18.6 Å²	18.6	8%	0.075	12%	0.119	C	C	.	.	H	α-helix	trans	-72.2	-36.7	-178.4	-169.6	28.3	0	0	0	111.9	R47 T525 C526 V530 A532	R47-D528 IonicContact CZ-OD1 3.62Å; R47-D528 IonicContact NH1-OD1 3.47Å; R47-D528 PolarHBondContact NH1-OD1 2.72Å; R47-D528 IonicContact NH2-OD1 3.61Å; R47-D528 PolarHBondContact NH2-OD1 2.83Å; T525-D528 PolarHBondContact O-N 2.93Å; C526-D528 VanDerWaalsContact C-N 3.33Å; C526-D528 PolarHBondContact O-N 3.13Å; D528-V530 VanDerWaalsContact C-N 3.33Å; D528-V530 PolarHBondContact O-N 2.73Å; D528-A532 WeakPolarHBondContact O-CB 3.47Å; D528-A532 PolarHBondContact O-N 3.03Å
529	C	95.4	Very high	94.5	Very high	3 Å²	3	19 Å²	19	2%	0.02	12%	0.118	C	C	.	.	H	α-helix	trans	-63.7	-38.1	174.5	-171.4	0	0	0	0	111.9	T525 C526 W539 C546	T525-C529 WeakPolarHBondContact O-CB 3.49Å; T525-C529 PolarHBondContact O-N 2.84Å; C526-C529 WeakPolarHBondContact O-CB 3.35Å; C526-C529 PolarHBondContact O-N 2.78Å; C529-W539 HydrophobicContact CB-CB 4.32Å; C529-W539 HydrophobicContact CB-CE3 4.3Å; C529-W539 PolarHBondContact SG-N 2.87Å; C529-W539 VanDerWaalsContact SG-N 3.38Å; C529-C546 HydrophobicContact CB-CB 3.59Å; C529-C546 WeakPolarHBondContact CB-SG 3.43Å; C529-C546 WeakPolarHBondContact SG-CB 3.29Å; C529-C546 CovalentContact SG-SG 2.03Å; C529-C546 PolarHBondContact SG-SG 2.81Å
530	V	95.3	Very high	94.4	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.018	12%	0.117	C	C	.	.	H	α-helix	trans	-77.9	-45.3	177	169.6	0	0	0	0	111.7	C526 D527 D528 A532 R533 I562 D568 A569 I571	C526-V530 WeakPolarHBondContact O-CB 3.35Å; C526-V530 WeakPolarHBondContact O-CG2 3.42Å; C526-V530 PolarHBondContact O-N 2.86Å; D527-V530 PolarHBondContact O-N 3.31Å; D528-V530 VanDerWaalsContact C-N 3.33Å; D528-V530 PolarHBondContact O-N 2.73Å; V530-A532 PolarHBondContact O-N 2.87Å; V530-R533 PolarHBondContact O-N 3.02Å; V530-I562 HydrophobicContact CG2-CG2 4.17Å; V530-D568 WeakPolarHBondContact CG1-O 3.46Å; V530-A569 HydrophobicContact CG1-CB 4.23Å; V530-I571 HydrophobicContact CG2-CD1 4.28Å
531	L	94.1	Very high	94.1	Very high	15 Å²	15	20.8 Å²	20.8	8%	0.079	13%	0.13	C	C	.	.	H	α-helix	trans	-66.5	-23.2	178.4	-71.9	168.7	0	0	0	113.1	R47 D527 R533 A569 E649 F658	R47-L531 WeakPolarHBondContact CD-O 3.37Å; R47-L531 PolarHBondContact NE-O 2.84Å; R47-L531 VanDerWaalsContact NE-O 3.16Å; D527-L531 WeakPolarHBondContact O-CB 3.47Å; D527-L531 WeakPolarHBondContact O-CD1 3.47Å; D527-L531 WeakPolarHBondContact O-CG 3.42Å; D527-L531 PolarHBondContact O-N 3.01Å; L531-R533 PolarHBondContact O-N 3.45Å; L531-A569 HydrophobicContact CG-CB 4.44Å; L531-E649 HydrophobicContact CD1-CB 4.41Å; L531-F658 HydrophobicContact CD1-CB 4.19Å; L531-F658 HydrophobicContact CD2-CB 4.34Å; L531-F658 HydrophobicContact CD2-CD2 3.92Å; L531-F658 HydrophobicContact CD2-CG 4.34Å
532	A	95.2	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.9	168.2	0	0	0	0	0	112.6	H478 Y523 D528 V530 D534	H478-A532 PolarHBondContact NE2-O 3.16Å; Y523-A532 HydrophobicContact CD1-CB 4.14Å; Y523-A532 HydrophobicContact CD2-CB 3.95Å; Y523-A532 HydrophobicContact CE1-CB 3.8Å; Y523-A532 HydrophobicContact CE2-CB 3.56Å; Y523-A532 HydrophobicContact CG-CB 4.24Å; Y523-A532 VanDerWaalsContact CZ-CB 3.5Å; D528-A532 WeakPolarHBondContact O-CB 3.47Å; D528-A532 PolarHBondContact O-N 3.03Å; V530-A532 PolarHBondContact O-N 2.87Å; A532-D534 HydrophobicContact CB-CB 4.48Å; A532-D534 PolarHBondContact O-N 3.06Å
533	R	94.9	Very high	93.7	Very high	23 Å²	23	23.6 Å²	23.6	9%	0.087	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	37.7	-177.3	-57.5	170.4	65.9	-165.5	4.4	112.6	F473 V530 L531 L565 T653	F473-R533 VanDerWaalsContact CD2-NH2 3.28Å; F473-R533 HydrophobicContact CE2-CB 4.3Å; F473-R533 HydrophobicContact CZ-CB 4.22Å; V530-R533 PolarHBondContact O-N 3.02Å; L531-R533 PolarHBondContact O-N 3.45Å; R533-L565 PolarHBondContact NE-O 2.93Å; R533-L565 PolarHBondContact NH2-O 2.77Å; R533-L565 WeakPolarHBondContact O-CD2 3.44Å; R533-T653 PolarHBondContact NH2-OG1 3.37Å
534	D	96.9	Very high	93.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	16%	0.161	C	C	.	.			trans	-91.2	118.2	-179.9	-172	-16.6	0	0	0	110.4	K469 V480 A532 Y536 C537 Q563	K469-D534 VanDerWaalsContact CE-OD2 3.31Å; K469-D534 WeakPolarHBondContact CE-OD2 3.32Å; K469-D534 IonicContact NZ-OD1 3.17Å; K469-D534 IonicContact NZ-OD2 3.29Å; K469-D534 PolarHBondContact NZ-OD2 3.26Å; V480-D534 HydrophobicContact CG1-CB 4.05Å; A532-D534 HydrophobicContact CB-CB 4.48Å; A532-D534 PolarHBondContact O-N 3.06Å; D534-Y536 PolarHBondContact O-N 3.4Å; D534-Y536 WeakPolarHBondContact OD1-CB 3.49Å; D534-Y536 WeakPolarHBondContact OD1-CD2 3.43Å; D534-Y536 PolarHBondContact OD1-N 2.87Å; D534-C537 HydrophobicContact CB-CB 4.03Å; D534-C537 VanDerWaalsContact CG-SG 3.59Å; D534-C537 PolarHBondContact O-N 3.02Å; D534-C537 PolarHBondContact OD2-SG 2.69Å; D534-C537 VanDerWaalsContact OD2-SG 3.33Å; D534-Q563 PolarHBondContact O-NE2 2.04Å
535	P	96.4	Very high	93.7	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20	178.5	27.2	-35.6	0	0	0	113.3	V447 A449 V457 V471 I549 Q563 L565	V447-P535 HydrophobicContact CB-CB 4.29Å; V447-P535 HydrophobicContact CB-CG 4.36Å; V447-P535 HydrophobicContact CG1-CB 3.97Å; V447-P535 HydrophobicContact CG1-CG 4.37Å; A449-P535 HydrophobicContact CB-CB 4.34Å; V457-P535 HydrophobicContact CG2-CG 3.53Å; V471-P535 HydrophobicContact CG1-CG 4.18Å; V471-P535 HydrophobicContact CG2-CG 4.08Å; P535-I549 WeakPolarHBondContact O-CD1 3.48Å; P535-Q563 PolarHBondContact O-NE2 3.28Å; P535-L565 HydrophobicContact CB-CD1 4.08Å; P535-L565 HydrophobicContact CB-CD2 4.36Å
536	Y	96.5	Very high	94	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-22.4	172.3	-60.8	-69.1	0	0	0	113.3	E445 V447 V457 F459 K469 A518 D534 C548 I549 L550	E445-Y536 PolarHBondContact OE2-OH 2.99Å; V447-Y536 HydrophobicContact CB-CE1 4.35Å; V447-Y536 HydrophobicContact CG1-CD1 3.98Å; V447-Y536 HydrophobicContact CG1-CE1 3.93Å; V447-Y536 HydrophobicContact CG2-CD1 4.26Å; V447-Y536 HydrophobicContact CG2-CE1 3.42Å; V447-Y536 VanDerWaalsContact CG2-CE1 3.42Å; V447-Y536 HydrophobicContact CG2-CE2 4.25Å; V447-Y536 VanDerWaalsContact CG2-CZ 3.4Å; V447-Y536 VanDerWaalsContact CG2-OH 3.27Å; V447-Y536 WeakPolarHBondContact CG2-OH 3.43Å; V457-Y536 HydrophobicContact CB-CE2 4.49Å; V457-Y536 HydrophobicContact CG1-CE2 4.07Å; V457-Y536 HydrophobicContact CG2-CE2 4.28Å; F459-Y536 HydrophobicContact CZ-CE2 4.01Å; K469-Y536 HydrophobicContact CD-CE2 4.38Å; A518-Y536 HydrophobicContact CB-CD2 3.8Å; A518-Y536 HydrophobicContact CB-CG 3.93Å; D534-Y536 PolarHBondContact O-N 3.4Å; D534-Y536 WeakPolarHBondContact OD1-CB 3.49Å; D534-Y536 WeakPolarHBondContact OD1-CD2 3.43Å; D534-Y536 PolarHBondContact OD1-N 2.87Å; Y536-C548 CarbonylContact O-C 3.38Å; Y536-C548 VanDerWaalsContact O-CA 3.26Å; Y536-C548 WeakPolarHBondContact O-CA 3.29Å; Y536-I549 PolarHBondContact O-N 3.26Å; Y536-L550 HydrophobicContact CD1-CD1 3.75Å; Y536-L550 HydrophobicContact CD1-CG 4.39Å; Y536-L550 HydrophobicContact CE1-CD1 3.97Å
537	C	96.8	Very high	94.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.3	-165.8	-56.4	0	0	0	0	113.3	C520 D534 V547 Q563	C520-C537 WeakPolarHBondContact CA-SG 3.19Å; C520-C537 HydrophobicContact CB-CB 3.72Å; C520-C537 WeakPolarHBondContact CB-SG 3.43Å; C520-C537 WeakPolarHBondContact SG-CA 3.34Å; C520-C537 WeakPolarHBondContact SG-CB 3.49Å; C520-C537 CovalentContact SG-SG 2.04Å; C520-C537 PolarHBondContact SG-SG 3.02Å; D534-C537 HydrophobicContact CB-CB 4.03Å; D534-C537 VanDerWaalsContact CG-SG 3.59Å; D534-C537 PolarHBondContact O-N 3.02Å; D534-C537 PolarHBondContact OD2-SG 2.69Å; D534-C537 VanDerWaalsContact OD2-SG 3.33Å; C537-V547 WeakPolarHBondContact CA-O 3.27Å; C537-Q563 WeakPolarHBondContact O-CG 3.29Å; C537-Q563 PolarHBondContact O-NE2 2.81Å
538	A	96	Very high	94.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	151.2	171.9	0	0	0	0	0	110.8	L450 V547 I549 L561 I562 Q563	L450-A538 HydrophobicContact CD1-CB 3.62Å; L450-A538 HydrophobicContact CG-CB 4.49Å; A538-V547 PolarHBondContact N-O 2.75Å; A538-V547 WeakPolarHBondContact O-CG2 3.35Å; A538-V547 PolarHBondContact O-N 3.18Å; A538-I549 HydrophobicContact CB-CG2 3.45Å; A538-I549 VanDerWaalsContact CB-CG2 3.45Å; A538-L561 HydrophobicContact CB-CB 4.25Å; A538-I562 WeakPolarHBondContact CA-O 3.31Å; A538-Q563 HydrophobicContact CB-CB 3.92Å
539	W	95.8	Very high	94.2	Very high	24 Å²	24	24.3 Å²	24.3	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.7	175.7	179.1	-98.2	0	0	0	110.8	T525 C526 C529 P541 A544 A545 C546 L561 I562	T525-W539 VanDerWaalsContact C-CE3 3.43Å; C526-W539 VanDerWaalsContact CA-CD2 3.46Å; C526-W539 HydrophobicContact CB-CB 4.26Å; C526-W539 HydrophobicContact CB-CD2 3.67Å; C526-W539 HydrophobicContact CB-CE3 4.33Å; C526-W539 HydrophobicContact CB-CG 3.61Å; C526-W539 HydrophobicContact CB-CZ2 4.42Å; C526-W539 VanDerWaalsContact N-CE3 3.31Å; C529-W539 HydrophobicContact CB-CB 4.32Å; C529-W539 HydrophobicContact CB-CE3 4.3Å; C529-W539 PolarHBondContact SG-N 2.87Å; C529-W539 VanDerWaalsContact SG-N 3.38Å; W539-P541 WeakPolarHBondContact O-CD 3.42Å; W539-A544 HydrophobicContact CH2-CB 4.38Å; W539-A544 WeakPolarHBondContact CH2-O 3.37Å; W539-A544 VanDerWaalsContact CZ2-CA 3.49Å; W539-A544 HydrophobicContact CZ2-CB 4.01Å; W539-A545 VanDerWaalsContact CZ3-C 3.47Å; W539-C546 HydrophobicContact CE3-CB 4.13Å; W539-L561 WeakPolarHBondContact O-CA 3.27Å; W539-I562 HydrophobicContact CB-CB 4.25Å; W539-I562 PolarHBondContact N-O 3.39Å; W539-I562 PolarHBondContact O-N 3.27Å
540	D	93.1	Very high	93.8	Very high	16 Å²	16	27 Å²	27	9%	0.086	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.8	167.7	-179.2	8.7	0	0	0	110.2	N542 T543 A544 A545 V547 L561	D540-N542 PolarHBondContact O-N 2.88Å; D540-N542 WeakPolarHBondContact OD1-CB 3.37Å; D540-N542 PolarHBondContact OD1-N 3.43Å; D540-N542 PolarHBondContact OD1-ND2 2.85Å; D540-T543 WeakPolarHBondContact CB-OG1 3.46Å; D540-T543 PolarHBondContact OD2-OG1 2.83Å; D540-A544 WeakPolarHBondContact O-CA 3.29Å; D540-A544 PolarHBondContact O-N 2.93Å; D540-A545 PolarHBondContact N-O 2.91Å; D540-A545 PolarHBondContact O-N 2.96Å; D540-V547 HydrophobicContact CB-CG2 4.36Å; D540-L561 HydrophobicContact CB-CD2 3.63Å
541	P	90.8	Very high	93.3	Very high	47 Å²	47	32.2 Å²	32.2	31%	0.305	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21	175.6	-23.2	34.7	0	0	0	114.6	W539 S560 I562	W539-P541 WeakPolarHBondContact O-CD 3.42Å; P541-S560 VanDerWaalsContact CD-O 3.24Å; P541-S560 WeakPolarHBondContact CD-O 3.44Å; P541-S560 WeakPolarHBondContact CG-O 3.13Å; P541-I562 HydrophobicContact CG-CD1 3.76Å; P541-I562 HydrophobicContact CG-CG1 4.13Å
542	N	88.3	Confident	92.6	Very high	118 Å²	118	32.9 Å²	32.9	63%	0.631	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-42.1	-175.8	-55.9	-80.9	0	0	0	112.1	D540	D540-N542 PolarHBondContact O-N 2.88Å; D540-N542 WeakPolarHBondContact OD1-CB 3.37Å; D540-N542 PolarHBondContact OD1-N 3.43Å; D540-N542 PolarHBondContact OD1-ND2 2.85Å
543	T	90.3	Very high	91.8	Very high	88 Å²	88	35.7 Å²	35.7	54%	0.54	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-9.3	174.4	58.1	0	0	0	0	113	D540 A545	D540-T543 WeakPolarHBondContact CB-OG1 3.46Å; D540-T543 PolarHBondContact OD2-OG1 2.83Å; T543-A545 VanDerWaalsContact C-N 3.31Å; T543-A545 PolarHBondContact O-N 2.74Å
544	A	91.3	Very high	90.7	Very high	66 Å²	66	43.5 Å²	43.5	55%	0.545	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	48.5	-172.7	0	0	0	0	0	112.2	W539 D540	W539-A544 HydrophobicContact CH2-CB 4.38Å; W539-A544 WeakPolarHBondContact CH2-O 3.37Å; W539-A544 VanDerWaalsContact CZ2-CA 3.49Å; W539-A544 HydrophobicContact CZ2-CB 4.01Å; D540-A544 WeakPolarHBondContact O-CA 3.29Å; D540-A544 PolarHBondContact O-N 2.93Å
545	A	94.2	Very high	89.2	Confident	38 Å²	38	50.9 Å²	50.9	31%	0.314	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	151.8	-178.4	0	0	0	0	0	111.6	W539 D540 T543	W539-A545 VanDerWaalsContact CZ3-C 3.47Å; D540-A545 PolarHBondContact N-O 2.91Å; D540-A545 PolarHBondContact O-N 2.96Å; T543-A545 VanDerWaalsContact C-N 3.31Å; T543-A545 PolarHBondContact O-N 2.74Å
546	C	95.8	Very high	87.6	Confident	6 Å²	6	54.3 Å²	54.3	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.6	168.3	-169.3	0	0	0	0	109.4	C520 G521 Y523 C529 W539	C520-C546 CarbonylContact C-O 3.47Å; C520-C546 VanDerWaalsContact O-CB 3.26Å; C520-C546 WeakPolarHBondContact O-CB 3.39Å; C520-C546 PolarHBondContact O-SG 2.94Å; G521-C546 PolarHBondContact N-O 3.42Å; Y523-C546 VanDerWaalsContact O-CB 3.25Å; Y523-C546 WeakPolarHBondContact O-CB 3.39Å; C529-C546 HydrophobicContact CB-CB 3.59Å; C529-C546 WeakPolarHBondContact CB-SG 3.43Å; C529-C546 WeakPolarHBondContact SG-CB 3.29Å; C529-C546 CovalentContact SG-SG 2.03Å; C529-C546 PolarHBondContact SG-SG 2.81Å; W539-C546 HydrophobicContact CE3-CB 4.13Å
547	V	94.9	Very high	86.1	Confident	37 Å²	37	57 Å²	57	22%	0.224	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.3	-172.3	-61.8	0	0	0	0	111	C537 A538 D540 V552 L561	C537-V547 WeakPolarHBondContact CA-O 3.27Å; A538-V547 PolarHBondContact N-O 2.75Å; A538-V547 WeakPolarHBondContact O-CG2 3.35Å; A538-V547 PolarHBondContact O-N 3.18Å; D540-V547 HydrophobicContact CB-CG2 4.36Å; V547-V552 HydrophobicContact CG2-CG2 4.1Å; V547-L561 HydrophobicContact CG2-CD2 4.44Å
548	C	93.8	Very high	84.4	Confident	17 Å²	17	62.1 Å²	62.1	12%	0.115	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	122.7	170.8	-179.7	0	0	0	0	109.6	Y536 L550 D551	Y536-C548 CarbonylContact O-C 3.38Å; Y536-C548 VanDerWaalsContact O-CA 3.26Å; Y536-C548 WeakPolarHBondContact O-CA 3.29Å; C548-L550 PolarHBondContact O-N 3.34Å; C548-L550 VanDerWaalsContact O-N 3.13Å; C548-D551 HydrophobicContact CB-CB 4.4Å; C548-D551 WeakPolarHBondContact CB-OD2 3.44Å; C548-D551 PolarHBondContact O-N 2.89Å
549	I	92.3	Very high	82.9	Confident	6 Å²	6	67.9 Å²	67.9	3%	0.031	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23.7	-177.8	67.2	170.5	0	0	0	112.6	Q448 L450 P535 Y536 A538	Q448-I549 WeakPolarHBondContact O-CD1 3.46Å; L450-I549 HydrophobicContact CD1-CG2 4.3Å; L450-I549 HydrophobicContact CD2-CB 4.29Å; L450-I549 HydrophobicContact CD2-CD1 4.39Å; L450-I549 HydrophobicContact CD2-CG2 4.01Å; L450-I549 HydrophobicContact CG-CG2 4.06Å; P535-I549 WeakPolarHBondContact O-CD1 3.48Å; Y536-I549 PolarHBondContact O-N 3.26Å; A538-I549 HydrophobicContact CB-CG2 3.45Å; A538-I549 VanDerWaalsContact CB-CG2 3.45Å
550	L	87.1	Confident	82.2	Confident	59 Å²	59	70.8 Å²	70.8	31%	0.309	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.6	178.6	-53.7	-179.2	0	0	0	112.1	R502 Y536 C548 V552	R502-L550 HydrophobicContact CG-CD1 4.26Å; R502-L550 VanDerWaalsContact CZ-CB 3.42Å; R502-L550 PolarHBondContact NH1-O 3.37Å; R502-L550 PolarHBondContact NH2-O 2.92Å; Y536-L550 HydrophobicContact CD1-CD1 3.75Å; Y536-L550 HydrophobicContact CD1-CG 4.39Å; Y536-L550 HydrophobicContact CE1-CD1 3.97Å; C548-L550 PolarHBondContact O-N 3.34Å; C548-L550 VanDerWaalsContact O-N 3.13Å; L550-V552 VanDerWaalsContact C-N 3.32Å
551	D	84.7	Confident	82.1	Confident	113 Å²	113	71.3 Å²	71.3	60%	0.604	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.1	177.6	-63.6	-24.4	0	0	0	112.1	R502 C548	R502-D551 IonicContact CZ-OD1 3.58Å; R502-D551 IonicContact NH1-OD1 2.75Å; R502-D551 PolarHBondContact NH1-OD1 2.71Å; C548-D551 HydrophobicContact CB-CB 4.4Å; C548-D551 WeakPolarHBondContact CB-OD2 3.44Å; C548-D551 PolarHBondContact O-N 2.89Å
552	V	80.6	Confident	82.3	Confident	29 Å²	29	70.3 Å²	70.3	18%	0.176	39%	0.389	C	S	.	.	S	Bend	trans	-81.3	130.5	179.1	-174.7	0	0	0	0	110.1	V547 L550 Q556 L557 L561	V547-V552 HydrophobicContact CG2-CG2 4.1Å; L550-V552 VanDerWaalsContact C-N 3.32Å; V552-Q556 HydrophobicContact CG1-CB 3.67Å; V552-L557 HydrophobicContact CB-CD1 3.81Å; V552-L557 HydrophobicContact CG1-CD1 3.91Å; V552-L557 WeakPolarHBondContact O-CD1 3.49Å; V552-L561 HydrophobicContact CG1-CD1 4.45Å; V552-L561 HydrophobicContact CG2-CD1 4.38Å
553	P	76.9	Confident	82.6	Confident	59 Å²	59	66.2 Å²	66.2	38%	0.383	37%	0.366	S	S	.	.			trans	-59.7	145.8	174	-24.5	33.9	0	0	0	112.2	E555 Q556 L557	P553-E555 VanDerWaalsContact C-N 3.26Å; P553-E555 PolarHBondContact O-N 3.34Å; P553-Q556 HydrophobicContact CB-CB 4.42Å; P553-Q556 HydrophobicContact CB-CG 4.2Å; P553-Q556 HydrophobicContact CG-CG 4.35Å; P553-Q556 CarbonylContact O-C 3.52Å; P553-Q556 WeakPolarHBondContact O-CA 3.45Å; P553-Q556 WeakPolarHBondContact O-CB 3.2Å; P553-Q556 PolarHBondContact O-N 3.3Å; P553-L557 WeakPolarHBondContact O-CD1 3.49Å; P553-L557 PolarHBondContact O-N 2.86Å
554	K	71.9	Confident	82.8	Confident	188 Å²	188	63 Å²	63	82%	0.817	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-30.7	-176	-70.8	-171.7	178.1	-176	0	113.9	Q556	K554-Q556 PolarHBondContact O-N 3.26Å
555	E	65.9	Low	82.9	Confident	155 Å²	155	60.4 Å²	60.4	72%	0.724	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.8	172.6	-50.4	81.8	-172	0	0	112.8	P553 S558	P553-E555 VanDerWaalsContact C-N 3.26Å; P553-E555 PolarHBondContact O-N 3.34Å; E555-S558 PolarHBondContact O-OG 2.96Å; E555-S558 VanDerWaalsContact O-OG 3.04Å
556	Q	63.6	Low	82.7	Confident	72 Å²	72	60.5 Å²	60.5	34%	0.336	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-18.2	178.3	-58.8	-171.5	15.1	0	0	113	V552 P553 K554 S558 R559	V552-Q556 HydrophobicContact CG1-CB 3.67Å; P553-Q556 HydrophobicContact CB-CB 4.42Å; P553-Q556 HydrophobicContact CB-CG 4.2Å; P553-Q556 HydrophobicContact CG-CG 4.35Å; P553-Q556 CarbonylContact O-C 3.52Å; P553-Q556 WeakPolarHBondContact O-CA 3.45Å; P553-Q556 WeakPolarHBondContact O-CB 3.2Å; P553-Q556 PolarHBondContact O-N 3.3Å; K554-Q556 PolarHBondContact O-N 3.26Å; Q556-S558 PolarHBondContact O-N 3.02Å; Q556-R559 VanDerWaalsContact CD-NH1 3.31Å; Q556-R559 VanDerWaalsContact O-CB 3.27Å; Q556-R559 WeakPolarHBondContact O-CB 3.3Å; Q556-R559 WeakPolarHBondContact O-CG 3.44Å; Q556-R559 PolarHBondContact O-N 3.46Å
557	L	65	Low	82.4	Confident	59 Å²	59	60.2 Å²	60.2	31%	0.309	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-18.9	166.5	-93.1	90.2	0	0	0	112.7	L450 V552 P553 R559	L450-L557 HydrophobicContact CD2-CD2 3.68Å; L450-L557 HydrophobicContact CD2-CG 4.28Å; V552-L557 HydrophobicContact CB-CD1 3.81Å; V552-L557 HydrophobicContact CG1-CD1 3.91Å; V552-L557 WeakPolarHBondContact O-CD1 3.49Å; P553-L557 WeakPolarHBondContact O-CD1 3.49Å; P553-L557 PolarHBondContact O-N 2.86Å; L557-R559 PolarHBondContact O-N 3.26Å
558	S	59.4	Low	82.3	Confident	107 Å²	107	60.5 Å²	60.5	75%	0.748	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	0.4	172.3	73.9	0	0	0	0	114	E555 Q556	E555-S558 PolarHBondContact O-OG 2.96Å; E555-S558 VanDerWaalsContact O-OG 3.04Å; Q556-S558 PolarHBondContact O-N 3.02Å
559	R	65.6	Low	82.2	Confident	122 Å²	122	59.9 Å²	59.9	46%	0.46	32%	0.317	S	S	.	.	S	Bend	trans	-73	160.5	164.2	-64.8	-178.7	-177.9	141.4	7.1	109.2	Q556 L557 L561	Q556-R559 VanDerWaalsContact CD-NH1 3.31Å; Q556-R559 VanDerWaalsContact O-CB 3.27Å; Q556-R559 WeakPolarHBondContact O-CB 3.3Å; Q556-R559 WeakPolarHBondContact O-CG 3.44Å; Q556-R559 PolarHBondContact O-N 3.46Å; L557-R559 PolarHBondContact O-N 3.26Å; R559-L561 PolarHBondContact O-N 3.38Å
560	S	79.9	Confident	82.2	Confident	85 Å²	85	64.4 Å²	64.4	59%	0.594	34%	0.341	S	S	*	.			trans	-73.4	63.6	178.8	60.3	0	0	0	0	112.5	P541	P541-S560 VanDerWaalsContact CD-O 3.24Å; P541-S560 WeakPolarHBondContact CD-O 3.44Å; P541-S560 WeakPolarHBondContact CG-O 3.13Å
561	L	92.3	Very high	82.4	Confident	26 Å²	26	65.1 Å²	65.1	14%	0.136	35%	0.345	C	S	.	.			trans	-66.4	148.1	163.6	-63.7	-178	0	0	0	109.3	L450 A538 W539 D540 V547 V552 R559	L450-L561 HydrophobicContact CD1-CB 3.58Å; L450-L561 HydrophobicContact CD1-CD1 4.28Å; A538-L561 HydrophobicContact CB-CB 4.25Å; W539-L561 WeakPolarHBondContact O-CA 3.27Å; D540-L561 HydrophobicContact CB-CD2 3.63Å; V547-L561 HydrophobicContact CG2-CD2 4.44Å; V552-L561 HydrophobicContact CG1-CD1 4.45Å; V552-L561 HydrophobicContact CG2-CD1 4.38Å; R559-L561 PolarHBondContact O-N 3.38Å
562	I	94.7	Very high	82.8	Confident	26 Å²	26	60.5 Å²	60.5	13%	0.133	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-119.4	115.4	-174.5	-57.6	-179.5	0	0	0	108.6	V530 A538 W539 P541 I571 P573	V530-I562 HydrophobicContact CG2-CG2 4.17Å; A538-I562 WeakPolarHBondContact CA-O 3.31Å; W539-I562 HydrophobicContact CB-CB 4.25Å; W539-I562 PolarHBondContact N-O 3.39Å; W539-I562 PolarHBondContact O-N 3.27Å; P541-I562 HydrophobicContact CG-CD1 3.76Å; P541-I562 HydrophobicContact CG-CG1 4.13Å; I562-I571 HydrophobicContact CG2-CB 4.33Å; I562-I571 HydrophobicContact CG2-CD1 3.46Å; I562-I571 VanDerWaalsContact CG2-CD1 3.46Å; I562-I571 HydrophobicContact CG2-CG1 3.48Å; I562-I571 VanDerWaalsContact CG2-CG1 3.48Å; I562-P573 HydrophobicContact CD1-CG 4.26Å
563	Q	94.9	Very high	83.1	Confident	33 Å²	33	62.1 Å²	62.1	15%	0.154	33%	0.332	C	S	.	.			trans	-140.6	140.4	175.3	-175.8	-179.7	58.3	0	0	108.4	L450 D534 P535 C537 A538 L565	L450-Q563 HydrophobicContact CB-CB 4.31Å; L450-Q563 HydrophobicContact CD1-CB 3.82Å; L450-Q563 HydrophobicContact CG-CB 4.2Å; D534-Q563 PolarHBondContact O-NE2 2.04Å; P535-Q563 PolarHBondContact O-NE2 3.28Å; C537-Q563 WeakPolarHBondContact O-CG 3.29Å; C537-Q563 PolarHBondContact O-NE2 2.81Å; A538-Q563 HydrophobicContact CB-CB 3.92Å; Q563-L565 HydrophobicContact CG-CD2 4.45Å
564	S	93.9	Very high	83.2	Confident	19 Å²	19	65.5 Å²	65.5	13%	0.133	35%	0.354	C	S	.	.			trans	-147.5	114.1	172.2	167.8	0	0	0	0	110.7	S566 G567 D568 I571	S564-S566 VanDerWaalsContact C-N 3.31Å; S564-S566 PolarHBondContact OG-OG 3.43Å; S564-G567 PolarHBondContact O-N 3.48Å; S564-G567 VanDerWaalsContact O-N 3.12Å; S564-D568 PolarHBondContact OG-N 3.41Å; S564-D568 VanDerWaalsContact OG-N 3.16Å; S564-I571 VanDerWaalsContact CB-CD1 3.45Å
565	L	92.9	Very high	83	Confident	13 Å²	13	61.6 Å²	61.6	7%	0.068	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6.4	-177.4	-62.8	177.9	0	0	0	113.4	A449 Y455 F473 R533 P535 Q563 G567	A449-L565 HydrophobicContact CB-CD1 3.54Å; Y455-L565 HydrophobicContact CD1-CD1 4.48Å; Y455-L565 HydrophobicContact CD2-CD1 3.58Å; Y455-L565 HydrophobicContact CE1-CD1 4.22Å; Y455-L565 HydrophobicContact CE2-CD1 3.24Å; Y455-L565 HydrophobicContact CG-CD1 4.2Å; F473-L565 HydrophobicContact CE1-CB 3.72Å; F473-L565 HydrophobicContact CE1-CD1 4.3Å; F473-L565 HydrophobicContact CE1-CD2 4.49Å; F473-L565 HydrophobicContact CE1-CG 4.39Å; F473-L565 HydrophobicContact CZ-CB 4.1Å; F473-L565 HydrophobicContact CZ-CD2 4.36Å; R533-L565 PolarHBondContact NE-O 2.93Å; R533-L565 PolarHBondContact NH2-O 2.77Å; R533-L565 WeakPolarHBondContact O-CD2 3.44Å; P535-L565 HydrophobicContact CB-CD1 4.08Å; P535-L565 HydrophobicContact CB-CD2 4.36Å; Q563-L565 HydrophobicContact CG-CD2 4.45Å; L565-G567 VanDerWaalsContact C-N 3.26Å
566	S	89.7	Confident	82.7	Confident	39 Å²	39	59.1 Å²	59.1	27%	0.273	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-12.1	160.9	58.4	0	0	0	0	112.6	S564	S564-S566 VanDerWaalsContact C-N 3.31Å; S564-S566 PolarHBondContact OG-OG 3.43Å
567	G	90.3	Very high	82.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	37%	0.367	C	S	.	.			trans	77	20.2	-174.5	0	0	0	0	0	113.6	S564 L565 A569 F658	S564-G567 PolarHBondContact O-N 3.48Å; S564-G567 VanDerWaalsContact O-N 3.12Å; L565-G567 VanDerWaalsContact C-N 3.26Å; G567-A569 PolarHBondContact O-N 3.17Å; G567-A569 VanDerWaalsContact O-N 3.12Å; G567-F658 WeakPolarHBondContact O-CE2 3.09Å
568	D	92.7	Very high	82.5	Confident	43 Å²	43	61.3 Å²	61.3	23%	0.23	37%	0.371	C	S	.	.			trans	-73.6	98.6	174.7	-174.4	6.6	0	0	0	111	V530 S564 D570 I571 V654	V530-D568 WeakPolarHBondContact CG1-O 3.46Å; S564-D568 PolarHBondContact OG-N 3.41Å; S564-D568 VanDerWaalsContact OG-N 3.16Å; D568-D570 WeakPolarHBondContact OD1-CB 3.35Å; D568-D570 PolarHBondContact OD1-N 3.3Å; D568-I571 WeakPolarHBondContact O-CD1 3.2Å; D568-I571 VanDerWaalsContact O-CG1 3.28Å; D568-I571 WeakPolarHBondContact O-CG1 3.49Å; D568-V654 HydrophobicContact CB-CG2 3.69Å
569	A	92.2	Very high	82.6	Confident	5 Å²	5	58.8 Å²	58.8	4%	0.041	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-84.7	-0.8	177	0	0	0	0	0	114.1	D527 V530 L531 G567 I571 C572 F658	D527-A569 HydrophobicContact CB-CB 4.48Å; V530-A569 HydrophobicContact CG1-CB 4.23Å; L531-A569 HydrophobicContact CG-CB 4.44Å; G567-A569 PolarHBondContact O-N 3.17Å; G567-A569 VanDerWaalsContact O-N 3.12Å; A569-I571 PolarHBondContact O-N 3.43Å; A569-C572 VanDerWaalsContact O-CB 3.27Å; A569-C572 WeakPolarHBondContact O-CB 3.44Å; A569-C572 PolarHBondContact O-N 3.24Å; A569-F658 HydrophobicContact CB-CD1 3.76Å; A569-F658 HydrophobicContact CB-CE1 3.84Å; A569-F658 HydrophobicContact CB-CG 4.18Å; A569-F658 HydrophobicContact CB-CZ 4.34Å; A569-F658 VanDerWaalsContact N-CZ 3.33Å
570	D	91.6	Very high	82.6	Confident	101 Å²	101	58.2 Å²	58.2	54%	0.54	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-66.1	-16.8	175.3	-76.4	-20.7	0	0	0	112.4	D568 C572 K656 F658	D568-D570 WeakPolarHBondContact OD1-CB 3.35Å; D568-D570 PolarHBondContact OD1-N 3.3Å; D570-C572 PolarHBondContact O-N 3.27Å; D570-K656 IonicContact OD1-NZ 3.88Å; D570-K656 PolarHBondContact OD1-NZ 2.64Å; D570-K656 IonicContact OD2-NZ 2.65Å; D570-K656 PolarHBondContact OD2-NZ 2.63Å; D570-F658 HydrophobicContact CB-CE1 4.49Å; D570-F658 WeakPolarHBondContact OD1-CE1 3.49Å
571	I	92.1	Very high	81.8	Confident	74 Å²	74	62.9 Å²	62.9	38%	0.379	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-70.3	-14.3	172.4	68.7	-176.5	0	0	0	113.5	V530 I562 S564 D568 A569	V530-I571 HydrophobicContact CG2-CD1 4.28Å; I562-I571 HydrophobicContact CG2-CB 4.33Å; I562-I571 HydrophobicContact CG2-CD1 3.46Å; I562-I571 VanDerWaalsContact CG2-CD1 3.46Å; I562-I571 HydrophobicContact CG2-CG1 3.48Å; I562-I571 VanDerWaalsContact CG2-CG1 3.48Å; S564-I571 VanDerWaalsContact CB-CD1 3.45Å; D568-I571 WeakPolarHBondContact O-CD1 3.2Å; D568-I571 VanDerWaalsContact O-CG1 3.28Å; D568-I571 WeakPolarHBondContact O-CG1 3.49Å; A569-I571 PolarHBondContact O-N 3.43Å
572	C	91.6	Very high	81.1	Confident	15 Å²	15	67.1 Å²	67.1	10%	0.101	39%	0.391	C	S	.	.	S	Bend	trans	-74	147.3	-179	-75.6	0	0	0	0	112.1	C526 A569 D570	C526-C572 HydrophobicContact CB-CB 3.67Å; C526-C572 WeakPolarHBondContact CB-SG 3.39Å; C526-C572 WeakPolarHBondContact SG-CA 3.3Å; C526-C572 WeakPolarHBondContact SG-CB 3.48Å; C526-C572 CovalentContact SG-SG 2.04Å; C526-C572 PolarHBondContact SG-SG 2.68Å; A569-C572 VanDerWaalsContact O-CB 3.27Å; A569-C572 WeakPolarHBondContact O-CB 3.44Å; A569-C572 PolarHBondContact O-N 3.24Å; D570-C572 PolarHBondContact O-N 3.27Å
573	P	88.4	Confident	80.8	Confident	64 Å²	64	66.6 Å²	66.6	42%	0.416	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-58.6	137.7	173	-21.7	33.3	0	0	0	110.5	I562 V575	I562-P573 HydrophobicContact CD1-CG 4.26Å; P573-V575 PolarHBondContact O-N 2.77Å; P573-V575 VanDerWaalsContact O-N 3.08Å
574	P	77.6	Confident	80.6	Confident	130 Å²	130	70.6 Å²	70.6	84%	0.844	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-62.3	116.6	-178.3	24.7	-33.8	0	0	0	110.5	S576	P574-S576 PolarHBondContact O-N 2.93Å
575	V	68.8	Low	80.5	Confident	105 Å²	105	77.4 Å²	77.4	64%	0.636	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-63.1	127	177.1	-175.7	0	0	0	0	108.9	P573 S577	P573-V575 PolarHBondContact O-N 2.77Å; P573-V575 VanDerWaalsContact O-N 3.08Å; V575-S577 PolarHBondContact O-N 3.16Å
576	S	60.4	Low	80.4	Confident	104 Å²	104	78.1 Å²	78.1	73%	0.727	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-58.8	122.3	172.9	53.3	0	0	0	0	109.7	P574 V578	P574-S576 PolarHBondContact O-N 2.93Å; S576-V578 PolarHBondContact O-N 3.39Å
577	S	61.1	Low	80.6	Confident	113 Å²	113	81.8 Å²	81.8	79%	0.79	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-50.7	123.2	178.9	57.9	0	0	0	0	110.8	V575 S579	V575-S577 PolarHBondContact O-N 3.16Å; S577-S579 PolarHBondContact O-N 2.8Å
578	V	62.3	Low	80.7	Confident	64 Å²	64	82.4 Å²	82.4	39%	0.388	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-48.4	127.7	178.8	178.9	0	0	0	0	109.6	S576 D582 Y583 L661	S576-V578 PolarHBondContact O-N 3.39Å; V578-D582 HydrophobicContact CG1-CB 3.89Å; V578-Y583 HydrophobicContact CG1-CD1 4.16Å; V578-Y583 HydrophobicContact CG1-CE1 4.06Å; V578-L661 HydrophobicContact CB-CD2 3.78Å; V578-L661 HydrophobicContact CG2-CD2 3.73Å
579	S	62.4	Low	80.6	Confident	53 Å²	53	86.4 Å²	86.4	37%	0.371	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-71	146	-178.7	-160.8	0	0	0	0	109.4	S577 K581 D582 Y583	S577-S579 PolarHBondContact O-N 2.8Å; S579-K581 PolarHBondContact O-N 2.8Å; S579-D582 WeakPolarHBondContact CA-OD2 3.21Å; S579-D582 WeakPolarHBondContact CB-OD2 3.26Å; S579-D582 PolarHBondContact N-OD2 3.12Å; S579-D582 WeakPolarHBondContact O-CB 3.41Å; S579-D582 PolarHBondContact O-N 2.98Å; S579-Y583 WeakPolarHBondContact O-CD1 3.42Å
580	L	65.1	Low	80.5	Confident	110 Å²	110	89.5 Å²	89.5	58%	0.576	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-12.7	168	-67.5	172.7	0	0	0	112.9	Y583	L580-Y583 HydrophobicContact CD2-CD2 4.25Å; L580-Y583 HydrophobicContact CD2-CE1 4.15Å; L580-Y583 HydrophobicContact CD2-CE2 3.84Å
581	K	62.2	Low	80.2	Confident	183 Å²	183	87.1 Å²	87.1	80%	0.796	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-26.8	171.8	-65.7	-178.3	179.7	177.1	0	113.7	S579 Y583	S579-K581 PolarHBondContact O-N 2.8Å; K581-Y583 VanDerWaalsContact C-N 3.34Å
582	D	77.9	Confident	80.2	Confident	115 Å²	115	86 Å²	86	62%	0.615	49%	0.492	S	S	*	.	S	Bend	trans	-91.4	-4.8	-174.5	-47	-41.9	0	0	0	111.6	V578 S579	V578-D582 HydrophobicContact CG1-CB 3.89Å; S579-D582 WeakPolarHBondContact CA-OD2 3.21Å; S579-D582 WeakPolarHBondContact CB-OD2 3.26Å; S579-D582 PolarHBondContact N-OD2 3.12Å; S579-D582 WeakPolarHBondContact O-CB 3.41Å; S579-D582 PolarHBondContact O-N 2.98Å
583	Y	88.6	Confident	80.1	Confident	16 Å²	16	88.2 Å²	88.2	6%	0.063	51%	0.507	C	S	.	.	S	Bend	trans	-67.4	133.5	177.5	-81.7	37.1	0	0	0	111	V578 S579 L580 K581 K585 D642 Q644 G664	V578-Y583 HydrophobicContact CG1-CD1 4.16Å; V578-Y583 HydrophobicContact CG1-CE1 4.06Å; S579-Y583 WeakPolarHBondContact O-CD1 3.42Å; L580-Y583 HydrophobicContact CD2-CD2 4.25Å; L580-Y583 HydrophobicContact CD2-CE1 4.15Å; L580-Y583 HydrophobicContact CD2-CE2 3.84Å; K581-Y583 VanDerWaalsContact C-N 3.34Å; Y583-K585 PolarHBondContact O-N 2.88Å; Y583-D642 HydrophobicContact CD2-CB 4.33Å; Y583-D642 HydrophobicContact CE2-CB 3.97Å; Y583-Q644 HydrophobicContact CE2-CG 4.31Å; Y583-Q644 WeakPolarHBondContact OH-CG 3.39Å; Y583-Q644 PolarHBondContact OH-NE2 2.98Å; Y583-G664 CarbonylContact C-O 3.53Å; Y583-G664 VanDerWaalsContact CA-O 3.32Å; Y583-G664 WeakPolarHBondContact CA-O 3.47Å
584	Q	90.6	Very high	80.3	Confident	116 Å²	116	85.2 Å²	85.2	54%	0.542	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	119.1	178.9	-174.3	172.4	-1.7	0	0	109.9	G664 Y665 T666	Q584-G664 PolarHBondContact N-O 3.32Å; Q584-Y665 HydrophobicContact CB-CD1 3.77Å; Q584-Y665 HydrophobicContact CB-CE1 3.91Å; Q584-Y665 HydrophobicContact CG-CD1 4.26Å; Q584-Y665 HydrophobicContact CG-CE1 4.22Å; Q584-Y665 CarbonylContact O-C 3.55Å; Q584-Y665 VanDerWaalsContact O-CA 3.26Å; Q584-Y665 WeakPolarHBondContact O-CA 3.47Å; Q584-T666 PolarHBondContact O-N 3.22Å
585	K	91.8	Very high	81	Confident	162 Å²	162	85.3 Å²	85.3	70%	0.704	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.3	179.9	-66.6	170.9	-172.4	163.4	0	109.9	Y583	Y583-K585 PolarHBondContact O-N 2.88Å
586	V	92.2	Very high	82	Confident	28 Å²	28	80.3 Å²	80.3	17%	0.17	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	115	179.2	-171.5	0	0	0	0	108	V588 L596 Y665 T666 L667 K668	V586-V588 HydrophobicContact CG1-CG2 3.81Å; V586-L596 HydrophobicContact CB-CD2 4.32Å; V586-L596 HydrophobicContact CG1-CD2 4.29Å; V586-L596 HydrophobicContact CG2-CD2 3.8Å; V586-Y665 HydrophobicContact CG2-CD1 3.84Å; V586-T666 PolarHBondContact N-O 2.89Å; V586-L667 HydrophobicContact CB-CD1 3.91Å; V586-L667 HydrophobicContact CG1-CD1 3.87Å; V586-K668 PolarHBondContact O-N 3.42Å
587	L	92.4	Very high	83.5	Confident	116 Å²	116	78.5 Å²	78.5	61%	0.607	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	126.7	173.7	-87.6	82.5	0	0	0	109.5	K668 D670	L587-K668 WeakPolarHBondContact CA-O 3.37Å; L587-D670 HydrophobicContact CB-CB 4.5Å; L587-D670 HydrophobicContact CD2-CB 4.44Å
588	V	92.1	Very high	84.9	Confident	14 Å²	14	73.2 Å²	73.2	9%	0.085	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.5	-177.2	-175.2	0	0	0	0	109.9	V586 A594 V635 L667 K668 L669 D670	V586-V588 HydrophobicContact CG1-CG2 3.81Å; V588-A594 HydrophobicContact CG1-CB 4.48Å; V588-A594 HydrophobicContact CG2-CB 3.81Å; V588-V635 HydrophobicContact CG1-CB 4.25Å; V588-V635 HydrophobicContact CG1-CG2 4.1Å; V588-L667 HydrophobicContact CB-CD1 4.39Å; V588-L667 HydrophobicContact CG2-CD1 3.66Å; V588-K668 PolarHBondContact N-O 3.1Å; V588-L669 CarbonylContact O-C 3.57Å; V588-L669 VanDerWaalsContact O-CA 3.3Å; V588-L669 WeakPolarHBondContact O-CA 3.32Å; V588-L669 WeakPolarHBondContact O-CD2 3.42Å; V588-D670 PolarHBondContact O-N 3.39Å
589	K	90.6	Very high	85.9	Confident	127 Å²	127	76 Å²	76	55%	0.552	41%	0.405	S	S	*	.			trans	-74	142.6	178.2	-68.3	176.9	-177.9	176.4	0	110.1	G591 S592 D670	K589-G591 PolarHBondContact O-N 2.98Å; K589-S592 VanDerWaalsContact O-CB 3.26Å; K589-S592 WeakPolarHBondContact O-CB 3.36Å; K589-S592 PolarHBondContact O-N 3.46Å; K589-S592 PolarHBondContact O-OG 2.86Å; K589-D670 HydrophobicContact CG-CB 4.16Å
590	P	90.5	Very high	87.1	Confident	69 Å²	69	75 Å²	75	45%	0.448	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	131.5	177.3	-25.4	32.4	0	0	0	112.1	S592 L669 L671	P590-S592 VanDerWaalsContact C-N 3.25Å; P590-S592 PolarHBondContact O-N 3.37Å; P590-L669 HydrophobicContact CB-CD2 4.35Å; P590-L669 HydrophobicContact CG-CD1 4.28Å; P590-L669 HydrophobicContact CG-CD2 4.07Å; P590-L671 HydrophobicContact CG-CD2 3.87Å
591	G	86	Confident	88	Confident	52 Å²	52	73.3 Å²	73.3	54%	0.536	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	2.3	-178.4	0	0	0	0	0	115.9	K589 V635	K589-G591 PolarHBondContact O-N 2.98Å; G591-V635 PolarHBondContact N-O 2.82Å
592	S	91.1	Very high	89.4	Confident	51 Å²	51	65.1 Å²	65.1	36%	0.357	35%	0.354	S	S	.	.	S	Bend	trans	-86.6	170.6	167.4	-55.3	0	0	0	0	110.9	K589 P590 S634 V635	K589-S592 VanDerWaalsContact O-CB 3.26Å; K589-S592 WeakPolarHBondContact O-CB 3.36Å; K589-S592 PolarHBondContact O-N 3.46Å; K589-S592 PolarHBondContact O-OG 2.86Å; P590-S592 VanDerWaalsContact C-N 3.25Å; P590-S592 PolarHBondContact O-N 3.37Å; S592-S634 PolarHBondContact O-N 2.83Å; S592-V635 WeakPolarHBondContact O-CB 3.43Å; S592-V635 VanDerWaalsContact O-CG2 3.27Å; S592-V635 WeakPolarHBondContact O-CG2 3.48Å; S592-V635 PolarHBondContact O-N 3.32Å
593	S	91.2	Very high	90	Very high	60 Å²	60	63.5 Å²	63.5	42%	0.42	35%	0.346	S	S	.	.			trans	-91	150.6	173.6	-56.4	0	0	0	0	112.4	I632 Y633	S593-I632 CarbonylContact C-O 3.5Å; S593-I632 WeakPolarHBondContact CA-O 3.49Å; S593-I632 WeakPolarHBondContact CB-O 3.12Å; S593-Y633 WeakPolarHBondContact OG-CD1 3.43Å
594	A	91.5	Very high	90.1	Very high	2 Å²	2	66.4 Å²	66.4	2%	0.017	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129.6	170.9	0	0	0	0	0	110.5	V588 L631 I632 V635 L667	V588-A594 HydrophobicContact CG1-CB 4.48Å; V588-A594 HydrophobicContact CG2-CB 3.81Å; A594-L631 WeakPolarHBondContact O-CA 3.48Å; A594-L631 WeakPolarHBondContact O-CD1 3.04Å; A594-I632 HydrophobicContact CB-CB 4.21Å; A594-I632 HydrophobicContact CB-CD1 4.36Å; A594-I632 PolarHBondContact N-O 2.78Å; A594-I632 PolarHBondContact O-N 3.16Å; A594-V635 HydrophobicContact CB-CG2 3.83Å; A594-L667 HydrophobicContact CB-CD1 3.78Å; A594-L667 HydrophobicContact CB-CD2 4.33Å
595	E	91.4	Very high	90	Very high	132 Å²	132	61.7 Å²	61.7	62%	0.617	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.2	174.7	-177.8	171.9	-176.3	0	0	109.5	I625 L631	E595-I625 HydrophobicContact CG-CD1 3.72Å; E595-L631 HydrophobicContact CB-CD1 4.28Å
596	L	91.8	Very high	89.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	100.8	-179.5	-52.2	-178.6	0	0	0	108	V586 W609 G629 L630 I632 Y643 Y665	V586-L596 HydrophobicContact CB-CD2 4.32Å; V586-L596 HydrophobicContact CG1-CD2 4.29Å; V586-L596 HydrophobicContact CG2-CD2 3.8Å; L596-W609 HydrophobicContact CB-CH2 3.58Å; L596-W609 HydrophobicContact CB-CZ2 4.38Å; L596-W609 HydrophobicContact CB-CZ3 4.1Å; L596-W609 HydrophobicContact CD1-CZ3 4.22Å; L596-W609 WeakPolarHBondContact O-CH2 3.03Å; L596-W609 VanDerWaalsContact O-CZ2 3.3Å; L596-W609 WeakPolarHBondContact O-CZ2 3.21Å; L596-G629 CarbonylContact O-C 3.54Å; L596-G629 WeakPolarHBondContact O-CA 3.34Å; L596-L630 HydrophobicContact CB-CB 4.4Å; L596-L630 HydrophobicContact CD1-CD2 4.36Å; L596-L630 PolarHBondContact N-O 3.4Å; L596-L630 PolarHBondContact O-N 2.82Å; L596-I632 HydrophobicContact CD1-CD1 4.18Å; L596-Y643 HydrophobicContact CD1-CD1 4.08Å; L596-Y643 HydrophobicContact CD1-CD2 4.28Å; L596-Y643 HydrophobicContact CD1-CG 3.8Å; L596-Y665 HydrophobicContact CB-CD2 4.14Å; L596-Y665 HydrophobicContact CB-CE2 4.24Å; L596-Y665 HydrophobicContact CB-CG 4.39Å; L596-Y665 HydrophobicContact CD1-CD2 4.44Å; L596-Y665 HydrophobicContact CD1-CG 4.39Å; L596-Y665 HydrophobicContact CD2-CD1 3.94Å; L596-Y665 HydrophobicContact CD2-CG 3.95Å; L596-Y665 HydrophobicContact CG-CG 4.48Å
597	P	91	Very high	89.7	Confident	65 Å²	65	58.9 Å²	58.9	42%	0.422	33%	0.332	S	S	.	.			trans	-68.1	157.9	-177.2	27.3	-33.6	0	0	0	111.8	Y665	P597-Y665 PolarHBondContact O-OH 2.7Å
598	C	89.3	Confident	89.6	Confident	2 Å²	2	56 Å²	56	1%	0.014	32%	0.316	C	S	.	.			trans	-151.3	100.4	168.3	-174.8	0	0	0	0	112.4	W609 E627 C645	C598-W609 HydrophobicContact CB-CH2 4.35Å; C598-W609 HydrophobicContact CB-CZ2 3.58Å; C598-E627 VanDerWaalsContact O-O 3.12Å; C598-C645 HydrophobicContact CB-CB 3.66Å; C598-C645 WeakPolarHBondContact CB-SG 3.14Å; C598-C645 WeakPolarHBondContact SG-CB 3.37Å; C598-C645 CovalentContact SG-SG 2.01Å; C598-C645 PolarHBondContact SG-SG 2.77Å
599	M	85	Confident	89.5	Confident	122 Å²	122	55.5 Å²	55.5	60%	0.601	31%	0.313	S	S	*	.			trans	-76.8	127	-178.9	-55.8	-52.6	-65.8	0	0	111.1
600	V	85.9	Confident	89.5	Confident	33 Å²	33	51.9 Å²	51.9	20%	0.2	30%	0.297	C	S	.	.			trans	-126.6	125.8	174.4	-170	0	0	0	0	108.8	A605 V607 L662	V600-A605 HydrophobicContact CG1-CB 4.05Å; V600-V607 HydrophobicContact CB-CG2 4.45Å; V600-V607 HydrophobicContact CG2-CG2 3.3Å; V600-L662 HydrophobicContact CB-CD1 4.39Å; V600-L662 HydrophobicContact CG2-CD1 3.48Å; V600-L662 VanDerWaalsContact CG2-CD1 3.48Å
601	N	85.3	Confident	89.5	Confident	75 Å²	75	49.2 Å²	49.2	40%	0.401	28%	0.28	S	S	.	.			trans	-86.3	-21.6	-178.8	-63.2	-4.9	0	0	0	112.9	T48	T48-N601 WeakPolarHBondContact CG2-O 3.26Å
602	S	90.8	Very high	89.5	Confident	10 Å²	10	50.9 Å²	50.9	7%	0.07	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-94.1	116.1	-175.8	-179.2	0	0	0	0	111.4	R47 L604 A605 E649	R47-S602 CarbonylContact O-C 3.58Å; R47-S602 VanDerWaalsContact O-CA 3.29Å; R47-S602 WeakPolarHBondContact O-CA 3.17Å; S602-L604 PolarHBondContact O-N 3.39Å; S602-L604 PolarHBondContact OG-N 2.85Å; S602-A605 PolarHBondContact O-N 2.79Å; S602-A605 PolarHBondContact OG-N 3.48Å; S602-E649 WeakPolarHBondContact CB-OE2 3.13Å; S602-E649 PolarHBondContact OG-OE2 3.01Å
603	N	91.2	Very high	89.2	Confident	81 Å²	81	54.5 Å²	54.5	43%	0.433	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-15.9	173.9	-60.2	-37	0	0	0	112.9	V45 P46 R47 S49	V45-N603 HydrophobicContact CG1-CB 4.06Å; P46-N603 WeakPolarHBondContact O-CB 3.43Å; P46-N603 PolarHBondContact O-ND2 2.65Å; R47-N603 PolarHBondContact O-N 3.14Å; S49-N603 PolarHBondContact OG-ND2 3.38Å
604	L	90.4	Very high	89	Confident	78 Å²	78	56.1 Å²	56.1	41%	0.408	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-11	176.2	-58.3	-179.9	0	0	0	112.6	V45 R47 S602 E649	V45-L604 HydrophobicContact CB-CD2 4.15Å; R47-L604 HydrophobicContact CB-CD1 3.96Å; R47-L604 HydrophobicContact CB-CG 4.35Å; R47-L604 HydrophobicContact CG-CD1 4.07Å; R47-L604 HydrophobicContact CG-CG 4.36Å; S602-L604 PolarHBondContact O-N 3.39Å; S602-L604 PolarHBondContact OG-N 2.85Å; L604-E649 HydrophobicContact CB-CG 4.43Å
605	A	89.5	Confident	88.8	Confident	16 Å²	16	61.4 Å²	61.4	13%	0.132	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	139.7	175.9	0	0	0	0	0	110.9	V600 S602 V648 E649	V600-A605 HydrophobicContact CG1-CB 4.05Å; S602-A605 PolarHBondContact O-N 2.79Å; S602-A605 PolarHBondContact OG-N 3.48Å; A605-V648 WeakPolarHBondContact CA-O 3.09Å; A605-E649 HydrophobicContact CB-CB 4.02Å; A605-E649 HydrophobicContact CB-CG 4.34Å
606	H	88.5	Confident	88.5	Confident	97 Å²	97	56.2 Å²	56.2	45%	0.449	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	153.8	167.5	64.1	-80.9	0	0	0	110.6	V648	H606-V648 VanDerWaalsContact CE1-CB 3.47Å; H606-V648 WeakPolarHBondContact CE1-CB 3.36Å; H606-V648 VanDerWaalsContact CE1-CG1 3.5Å; H606-V648 WeakPolarHBondContact CE1-CG1 3.48Å; H606-V648 PolarHBondContact N-O 3.18Å; H606-V648 PolarHBondContact ND1-O 2.98Å; H606-V648 VanDerWaalsContact ND1-O 3.1Å; H606-V648 PolarHBondContact O-N 3.43Å
607	V	89	Confident	87.6	Confident	34 Å²	34	62.5 Å²	62.5	21%	0.206	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.3	-179.9	173	0	0	0	0	111.1	V600 N628 C645 W646	V600-V607 HydrophobicContact CB-CG2 4.45Å; V600-V607 HydrophobicContact CG2-CG2 3.3Å; V607-N628 HydrophobicContact CB-CB 4.07Å; V607-N628 HydrophobicContact CG1-CB 4.33Å; V607-N628 HydrophobicContact CG2-CB 3.63Å; V607-C645 WeakPolarHBondContact CG1-SG 3.14Å; V607-W646 CarbonylContact C-O 3.56Å; V607-W646 WeakPolarHBondContact CA-O 3.37Å
608	M	89.1	Confident	86.5	Confident	56 Å²	56	67 Å²	67	28%	0.276	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.4	171.4	-57.7	-162.6	-42	0	0	110.1	L615 W646 V648	M608-L615 HydrophobicContact CB-CD1 4.21Å; M608-L615 HydrophobicContact SD-CD1 4.43Å; M608-W646 HydrophobicContact CB-CB 4.47Å; M608-W646 PolarHBondContact N-O 3.23Å; M608-W646 PolarHBondContact O-N 2.93Å; M608-V648 HydrophobicContact CE-CG2 3.68Å; M608-V648 HydrophobicContact CG-CG2 4.05Å; M608-V648 HydrophobicContact SD-CG2 3.99Å
609	W	91	Very high	85.4	Confident	3 Å²	3	69.1 Å²	69.1	1%	0.011	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	142.1	174.3	-80	91.4	0	0	0	111.6	L596 C598 L616 F624 N628 L630 Q644 C645 Y665	L596-W609 HydrophobicContact CB-CH2 3.58Å; L596-W609 HydrophobicContact CB-CZ2 4.38Å; L596-W609 HydrophobicContact CB-CZ3 4.1Å; L596-W609 HydrophobicContact CD1-CZ3 4.22Å; L596-W609 WeakPolarHBondContact O-CH2 3.03Å; L596-W609 VanDerWaalsContact O-CZ2 3.3Å; L596-W609 WeakPolarHBondContact O-CZ2 3.21Å; C598-W609 HydrophobicContact CB-CH2 4.35Å; C598-W609 HydrophobicContact CB-CZ2 3.58Å; W609-L616 HydrophobicContact CB-CB 4.31Å; W609-L616 HydrophobicContact CB-CD1 3.88Å; W609-L616 PolarHBondContact O-N 2.81Å; W609-F624 HydrophobicContact CB-CE1 4.21Å; W609-F624 AromaticContact CD1-CD1 3.96Å; W609-F624 AromaticContact CD1-CE1 3.53Å; W609-F624 HydrophobicContact CG-CE1 4.09Å; W609-N628 PolarHBondContact NE1-O 3.46Å; W609-L630 HydrophobicContact CB-CD2 4.39Å; W609-L630 HydrophobicContact CD2-CB 3.77Å; W609-L630 HydrophobicContact CD2-CD2 3.88Å; W609-L630 HydrophobicContact CD2-CG 4.43Å; W609-L630 HydrophobicContact CE3-CB 4.15Å; W609-L630 HydrophobicContact CE3-CD2 3.72Å; W609-L630 HydrophobicContact CG-CB 4.25Å; W609-L630 HydrophobicContact CG-CD2 4.21Å; W609-L630 HydrophobicContact CH2-CB 4.07Å; W609-L630 HydrophobicContact CZ2-CB 3.67Å; W609-L630 HydrophobicContact CZ3-CB 4.3Å; W609-L630 HydrophobicContact CZ3-CD2 4.23Å; W609-Q644 CarbonylContact C-O 3.56Å; W609-Q644 WeakPolarHBondContact CA-O 3.49Å; W609-C645 HydrophobicContact CD2-CB 3.98Å; W609-C645 HydrophobicContact CE3-CB 4.04Å; W609-C645 HydrophobicContact CH2-CB 3.82Å; W609-C645 HydrophobicContact CZ2-CB 3.74Å; W609-C645 HydrophobicContact CZ3-CB 3.96Å; W609-Y665 AromaticContact CH2-CD2 3.98Å; W609-Y665 HydrophobicContact CH2-CD2 3.98Å; W609-Y665 AromaticContact CH2-CE2 3.76Å; W609-Y665 HydrophobicContact CH2-CE2 3.76Å; W609-Y665 AromaticContact CZ3-CD2 3.96Å; W609-Y665 HydrophobicContact CZ3-CD2 3.96Å; W609-Y665 HydrophobicContact CZ3-CE2 4.19Å
610	K	90.5	Very high	84.3	Confident	51 Å²	51	68.8 Å²	68.8	22%	0.222	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.2	172.3	-58.6	177	-171.8	163.1	0	110	T614 L615 Y643 Q644	K610-T614 CarbonylContact C-O 3.49Å; K610-T614 WeakPolarHBondContact CA-O 3.36Å; K610-T614 WeakPolarHBondContact CB-O 3.42Å; K610-L615 HydrophobicContact CG-CD1 4.46Å; K610-Y643 CarbonylContact O-C 3.58Å; K610-Y643 VanDerWaalsContact O-CA 3.28Å; K610-Y643 WeakPolarHBondContact O-CA 3.26Å; K610-Q644 HydrophobicContact CB-CB 4.4Å; K610-Q644 PolarHBondContact N-O 3.34Å; K610-Q644 PolarHBondContact O-N 3.37Å
611	S	90.1	Very high	83.5	Confident	14 Å²	14	71.6 Å²	71.6	10%	0.098	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.1	167.8	177.7	0	0	0	0	108.6	N613 T614 D642	S611-N613 PolarHBondContact O-N 3.28Å; S611-T614 PolarHBondContact N-O 3.21Å; S611-T614 PolarHBondContact O-N 3.38Å; S611-T614 PolarHBondContact O-OG1 3.33Å; S611-D642 CarbonylContact C-O 3.57Å; S611-D642 WeakPolarHBondContact CA-O 3.35Å
612	N	87	Confident	83.3	Confident	86 Å²	86	69.2 Å²	69.2	46%	0.46	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	39	-178.5	-62.1	-41.9	0	0	0	113.4	T614 G641 D642	N612-T614 VanDerWaalsContact C-N 3.28Å; N612-T614 PolarHBondContact O-N 3.11Å; N612-G641 WeakPolarHBondContact OD1-CA 3.46Å; N612-D642 PolarHBondContact N-O 3.41Å; N612-D642 PolarHBondContact OD1-N 3.27Å
613	N	84	Confident	82.5	Confident	127 Å²	127	73 Å²	73	68%	0.679	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	-0	-173.1	-58.6	-52.3	0	0	0	117.5	S611	S611-N613 PolarHBondContact O-N 3.28Å
614	T	87.5	Confident	81.8	Confident	94 Å²	94	73 Å²	73	58%	0.577	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	140.4	168.1	61.5	0	0	0	0	110.8	K610 S611 N612	K610-T614 CarbonylContact C-O 3.49Å; K610-T614 WeakPolarHBondContact CA-O 3.36Å; K610-T614 WeakPolarHBondContact CB-O 3.42Å; S611-T614 PolarHBondContact N-O 3.21Å; S611-T614 PolarHBondContact O-N 3.38Å; S611-T614 PolarHBondContact O-OG1 3.33Å; N612-T614 VanDerWaalsContact C-N 3.28Å; N612-T614 PolarHBondContact O-N 3.11Å
615	L	87.5	Confident	80.8	Confident	114 Å²	114	72 Å²	72	60%	0.597	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	136.2	174.2	-169.7	71.4	0	0	0	110.2	M608 K610	M608-L615 HydrophobicContact CB-CD1 4.21Å; M608-L615 HydrophobicContact SD-CD1 4.43Å; K610-L615 HydrophobicContact CG-CD1 4.46Å
616	L	84.9	Confident	79.3	Confident	22 Å²	22	74.3 Å²	74.3	12%	0.115	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-87	131.8	171.7	-75.1	160.3	0	0	0	109.7	W609 F622 L630 Y643	W609-L616 HydrophobicContact CB-CB 4.31Å; W609-L616 HydrophobicContact CB-CD1 3.88Å; W609-L616 PolarHBondContact O-N 2.81Å; L616-F622 HydrophobicContact CD2-CD2 3.79Å; L616-F622 HydrophobicContact CD2-CE1 4.34Å; L616-F622 HydrophobicContact CD2-CE2 3.6Å; L616-F622 HydrophobicContact CD2-CG 4.27Å; L616-F622 HydrophobicContact CD2-CZ 3.91Å; L616-L630 HydrophobicContact CD1-CD2 3.7Å; L616-Y643 HydrophobicContact CD1-CD1 3.87Å; L616-Y643 HydrophobicContact CD1-CE1 3.93Å
617	D	72.7	Confident	78.1	Confident	132 Å²	132	75.9 Å²	75.9	71%	0.706	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-103	167.5	175.9	-165.7	8.9	0	0	0	110	A619	D617-A619 PolarHBondContact O-N 2.83Å
618	E	66.7	Low	77.7	Confident	160 Å²	160	77.6 Å²	77.6	75%	0.748	42%	0.421	S	S	*	.			trans	-71.4	54.5	178.9	-73.3	-170.2	160.2	0	0	113.2	F624	E618-F624 HydrophobicContact CG-CD2 4.25Å; E618-F624 HydrophobicContact CG-CE2 3.87Å
619	A	66.3	Low	77.6	Confident	46 Å²	46	75.2 Å²	75.2	38%	0.38	41%	0.411	S	S	.	.			trans	-78.6	138.5	172.2	0	0	0	0	0	110.8	D617 R621 F622	D617-A619 PolarHBondContact O-N 2.83Å; A619-R621 PolarHBondContact O-N 2.93Å; A619-F622 HydrophobicContact CB-CD2 4.34Å; A619-F622 PolarHBondContact O-N 3.43Å
620	S	62.8	Low	77.5	Confident	115 Å²	115	75.1 Å²	75.1	80%	0.804	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	2.8	-172.7	58.2	0	0	0	0	118.4	H623	S620-H623 PolarHBondContact O-NE2 3.39Å
621	R	69.7	Low	77.5	Confident	93 Å²	93	73.9 Å²	73.9	35%	0.351	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-19.6	170.7	69.7	-166.3	-74.1	165.8	5.4	112.9	A619 Y633 E638 D639	A619-R621 PolarHBondContact O-N 2.93Å; R621-Y633 PolarHBondContact O-N 3.06Å; R621-E638 IonicContact NH2-OE1 2.92Å; R621-D639 IonicContact CZ-OD1 3.19Å; R621-D639 IonicContact CZ-OD2 3.65Å; R621-D639 IonicContact NE-OD1 2.68Å; R621-D639 PolarHBondContact NE-OD1 2.92Å; R621-D639 IonicContact NH2-OD1 2.72Å; R621-D639 PolarHBondContact NH2-OD1 3.11Å; R621-D639 IonicContact NH2-OD2 3.76Å; R621-D639 PolarHBondContact NH2-OD2 3.15Å
622	F	79.4	Confident	77.6	Confident	25 Å²	25	73.2 Å²	73.2	11%	0.11	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118	-179.8	-60.3	-56.4	0	0	0	108.2	L616 A619 L630 L631 I632 Y643	L616-F622 HydrophobicContact CD2-CD2 3.79Å; L616-F622 HydrophobicContact CD2-CE1 4.34Å; L616-F622 HydrophobicContact CD2-CE2 3.6Å; L616-F622 HydrophobicContact CD2-CG 4.27Å; L616-F622 HydrophobicContact CD2-CZ 3.91Å; A619-F622 HydrophobicContact CB-CD2 4.34Å; A619-F622 PolarHBondContact O-N 3.43Å; F622-L630 HydrophobicContact CB-CD1 4.03Å; F622-L630 HydrophobicContact CD1-CD1 4.37Å; F622-L631 WeakPolarHBondContact CA-O 3.2Å; F622-I632 HydrophobicContact CD1-CB 4.38Å; F622-I632 HydrophobicContact CD1-CG1 3.96Å; F622-I632 HydrophobicContact CD1-CG2 4.09Å; F622-I632 HydrophobicContact CE1-CB 4.42Å; F622-I632 HydrophobicContact CE1-CD1 4.37Å; F622-I632 HydrophobicContact CE1-CG1 4.03Å; F622-I632 HydrophobicContact CE1-CG2 3.76Å; F622-Y643 HydrophobicContact CE1-CE1 4.49Å
623	H	75.4	Confident	77.7	Confident	88 Å²	88	74.3 Å²	74.3	41%	0.407	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.4	176.9	-75.8	-94.8	0	0	0	109.7	S620 L631 Y633	S620-H623 PolarHBondContact O-NE2 3.39Å; H623-L631 HydrophobicContact CB-CB 4.32Å; H623-L631 PolarHBondContact N-O 3.2Å; H623-L631 WeakPolarHBondContact O-CB 3.45Å; H623-L631 PolarHBondContact O-N 3.36Å; H623-Y633 HydrophobicContact CB-CE2 4.07Å; H623-Y633 AromaticContact CD2-CD2 3.58Å; H623-Y633 AromaticContact CD2-CE2 3.42Å; H623-Y633 VanDerWaalsContact CD2-CE2 3.42Å; H623-Y633 WeakPolarHBondContact CD2-CE2 3.45Å; H623-Y633 AromaticContact CG-CE2 3.87Å
624	F	75.6	Confident	77.9	Confident	83 Å²	83	72.2 Å²	72.2	36%	0.364	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.7	168.2	-58.2	-67.8	0	0	0	108.7	W609 E618 G629 L630	W609-F624 HydrophobicContact CB-CE1 4.21Å; W609-F624 AromaticContact CD1-CD1 3.96Å; W609-F624 AromaticContact CD1-CE1 3.53Å; W609-F624 HydrophobicContact CG-CE1 4.09Å; E618-F624 HydrophobicContact CG-CD2 4.25Å; E618-F624 HydrophobicContact CG-CE2 3.87Å; F624-G629 CarbonylContact C-O 3.49Å; F624-G629 WeakPolarHBondContact CA-O 3.5Å; F624-L630 HydrophobicContact CD1-CD1 4.38Å; F624-L630 HydrophobicContact CE1-CD1 4.1Å
625	I	70.5	Confident	78.1	Confident	55 Å²	55	67.7 Å²	67.7	28%	0.282	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-84.7	158.4	175.5	-51.3	160.3	0	0	0	108.3	E595 N628 G629 L631	E595-I625 HydrophobicContact CG-CD1 3.72Å; I625-N628 PolarHBondContact O-N 3.09Å; I625-N628 VanDerWaalsContact O-N 3.1Å; I625-G629 PolarHBondContact N-O 2.85Å; I625-L631 HydrophobicContact CD1-CB 3.74Å; I625-L631 HydrophobicContact CD1-CD1 4.49Å; I625-L631 HydrophobicContact CD1-CD2 4.28Å; I625-L631 HydrophobicContact CD1-CG 4.4Å; I625-L631 HydrophobicContact CG1-CB 3.75Å; I625-L631 HydrophobicContact CG1-CD2 4.22Å
626	G	56.5	Low	78.2	Confident	66 Å²	66	63.3 Å²	63.3	68%	0.68	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	144	163.1	0	0	0	0	0	111.3
627	E	64.8	Low	78.3	Confident	130 Å²	130	66.4 Å²	66.4	61%	0.607	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	29.2	-165.5	-49.3	-169.4	166.4	0	0	114.7	C598 G629	C598-E627 VanDerWaalsContact O-O 3.12Å; E627-G629 PolarHBondContact O-N 2.97Å
628	N	80.1	Confident	79	Confident	70 Å²	70	66.1 Å²	66.1	37%	0.374	36%	0.364	S	S	.	.	S	Bend	trans	62.5	9.3	167.1	-50.5	-49.9	0	0	0	117.2	V607 W609 I625	V607-N628 HydrophobicContact CB-CB 4.07Å; V607-N628 HydrophobicContact CG1-CB 4.33Å; V607-N628 HydrophobicContact CG2-CB 3.63Å; W609-N628 PolarHBondContact NE1-O 3.46Å; I625-N628 PolarHBondContact O-N 3.09Å; I625-N628 VanDerWaalsContact O-N 3.1Å
629	G	86.3	Confident	80.1	Confident	6 Å²	6	58.8 Å²	58.8	6%	0.062	33%	0.33	C	S	.	.			trans	-67.7	157	174.2	0	0	0	0	0	113	L596 F624 I625 E627	L596-G629 CarbonylContact O-C 3.54Å; L596-G629 WeakPolarHBondContact O-CA 3.34Å; F624-G629 CarbonylContact C-O 3.49Å; F624-G629 WeakPolarHBondContact CA-O 3.5Å; I625-G629 PolarHBondContact N-O 2.85Å; E627-G629 PolarHBondContact O-N 2.97Å
630	L	90.4	Very high	81.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123	177.4	174.7	64.1	0	0	0	110.8	L596 W609 L616 F622 F624 I632 Y643	L596-L630 HydrophobicContact CB-CB 4.4Å; L596-L630 HydrophobicContact CD1-CD2 4.36Å; L596-L630 PolarHBondContact N-O 3.4Å; L596-L630 PolarHBondContact O-N 2.82Å; W609-L630 HydrophobicContact CB-CD2 4.39Å; W609-L630 HydrophobicContact CD2-CB 3.77Å; W609-L630 HydrophobicContact CD2-CD2 3.88Å; W609-L630 HydrophobicContact CD2-CG 4.43Å; W609-L630 HydrophobicContact CE3-CB 4.15Å; W609-L630 HydrophobicContact CE3-CD2 3.72Å; W609-L630 HydrophobicContact CG-CB 4.25Å; W609-L630 HydrophobicContact CG-CD2 4.21Å; W609-L630 HydrophobicContact CH2-CB 4.07Å; W609-L630 HydrophobicContact CZ2-CB 3.67Å; W609-L630 HydrophobicContact CZ3-CB 4.3Å; W609-L630 HydrophobicContact CZ3-CD2 4.23Å; L616-L630 HydrophobicContact CD1-CD2 3.7Å; F622-L630 HydrophobicContact CB-CD1 4.03Å; F622-L630 HydrophobicContact CD1-CD1 4.37Å; F624-L630 HydrophobicContact CD1-CD1 4.38Å; F624-L630 HydrophobicContact CE1-CD1 4.1Å; L630-I632 HydrophobicContact CG-CG1 4.3Å; L630-Y643 HydrophobicContact CD2-CD1 3.7Å; L630-Y643 HydrophobicContact CD2-CE1 4.04Å
631	L	90.4	Very high	82.6	Confident	26 Å²	26	55.1 Å²	55.1	14%	0.136	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.7	172.7	-171.9	53.8	0	0	0	110.5	A594 E595 F622 H623 I625 Y633	A594-L631 WeakPolarHBondContact O-CA 3.48Å; A594-L631 WeakPolarHBondContact O-CD1 3.04Å; E595-L631 HydrophobicContact CB-CD1 4.28Å; F622-L631 WeakPolarHBondContact CA-O 3.2Å; H623-L631 HydrophobicContact CB-CB 4.32Å; H623-L631 PolarHBondContact N-O 3.2Å; H623-L631 WeakPolarHBondContact O-CB 3.45Å; H623-L631 PolarHBondContact O-N 3.36Å; I625-L631 HydrophobicContact CD1-CB 3.74Å; I625-L631 HydrophobicContact CD1-CD1 4.49Å; I625-L631 HydrophobicContact CD1-CD2 4.28Å; I625-L631 HydrophobicContact CD1-CG 4.4Å; I625-L631 HydrophobicContact CG1-CB 3.75Å; I625-L631 HydrophobicContact CG1-CD2 4.22Å; L631-Y633 HydrophobicContact CB-CE2 4.49Å; L631-Y633 HydrophobicContact CD2-CD2 4.33Å; L631-Y633 HydrophobicContact CD2-CE1 4.25Å; L631-Y633 HydrophobicContact CD2-CE2 3.46Å; L631-Y633 VanDerWaalsContact CD2-CE2 3.46Å; L631-Y633 VanDerWaalsContact CD2-CZ 3.43Å; L631-Y633 WeakPolarHBondContact CD2-OH 3.4Å; L631-Y633 HydrophobicContact CG-CD2 4.09Å; L631-Y633 HydrophobicContact CG-CE2 3.7Å
632	I	90.9	Very high	83.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.3	175	-47.1	173.9	0	0	0	107.2	S593 A594 L596 F622 L630 V635 D639 Y643 L667	S593-I632 CarbonylContact C-O 3.5Å; S593-I632 WeakPolarHBondContact CA-O 3.49Å; S593-I632 WeakPolarHBondContact CB-O 3.12Å; A594-I632 HydrophobicContact CB-CB 4.21Å; A594-I632 HydrophobicContact CB-CD1 4.36Å; A594-I632 PolarHBondContact N-O 2.78Å; A594-I632 PolarHBondContact O-N 3.16Å; L596-I632 HydrophobicContact CD1-CD1 4.18Å; F622-I632 HydrophobicContact CD1-CB 4.38Å; F622-I632 HydrophobicContact CD1-CG1 3.96Å; F622-I632 HydrophobicContact CD1-CG2 4.09Å; F622-I632 HydrophobicContact CE1-CB 4.42Å; F622-I632 HydrophobicContact CE1-CD1 4.37Å; F622-I632 HydrophobicContact CE1-CG1 4.03Å; F622-I632 HydrophobicContact CE1-CG2 3.76Å; L630-I632 HydrophobicContact CG-CG1 4.3Å; I632-V635 HydrophobicContact CB-CG2 4.1Å; I632-V635 HydrophobicContact CG2-CG2 3.88Å; I632-D639 HydrophobicContact CG2-CB 4.45Å; I632-Y643 HydrophobicContact CD1-CD1 4.37Å; I632-Y643 HydrophobicContact CD1-CE1 3.68Å; I632-Y643 HydrophobicContact CD1-CE2 4.18Å; I632-L667 HydrophobicContact CD1-CD2 3.71Å
633	Y	88.9	Confident	84.3	Confident	108 Å²	108	51.8 Å²	51.8	42%	0.424	29%	0.286	S	S	.	.			trans	-87.7	146.3	177	-75.5	-90.6	0	0	0	111.9	S593 R621 H623 L631 V635	S593-Y633 WeakPolarHBondContact OG-CD1 3.43Å; R621-Y633 PolarHBondContact O-N 3.06Å; H623-Y633 HydrophobicContact CB-CE2 4.07Å; H623-Y633 AromaticContact CD2-CD2 3.58Å; H623-Y633 AromaticContact CD2-CE2 3.42Å; H623-Y633 VanDerWaalsContact CD2-CE2 3.42Å; H623-Y633 WeakPolarHBondContact CD2-CE2 3.45Å; H623-Y633 AromaticContact CG-CE2 3.87Å; L631-Y633 HydrophobicContact CB-CE2 4.49Å; L631-Y633 HydrophobicContact CD2-CD2 4.33Å; L631-Y633 HydrophobicContact CD2-CE1 4.25Å; L631-Y633 HydrophobicContact CD2-CE2 3.46Å; L631-Y633 VanDerWaalsContact CD2-CE2 3.46Å; L631-Y633 VanDerWaalsContact CD2-CZ 3.43Å; L631-Y633 WeakPolarHBondContact CD2-OH 3.4Å; L631-Y633 HydrophobicContact CG-CD2 4.09Å; L631-Y633 HydrophobicContact CG-CE2 3.7Å; Y633-V635 VanDerWaalsContact C-N 3.34Å; Y633-V635 PolarHBondContact O-N 2.83Å
634	S	89.1	Confident	85.1	Confident	83 Å²	83	48.6 Å²	48.6	58%	0.58	27%	0.272	S	S	*	.	S	Bend	trans	53.2	46.1	171	-58.1	0	0	0	0	113.9	S592 A636	S592-S634 PolarHBondContact O-N 2.83Å; S634-A636 PolarHBondContact O-N 3.25Å
635	V	91.1	Very high	85.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.254	C	S	.	.			trans	-48.4	119.8	-170.7	177.5	0	0	0	0	111.7	V588 G591 S592 A594 I632 Y633 D639 L667 L669	V588-V635 HydrophobicContact CG1-CB 4.25Å; V588-V635 HydrophobicContact CG1-CG2 4.1Å; G591-V635 PolarHBondContact N-O 2.82Å; S592-V635 WeakPolarHBondContact O-CB 3.43Å; S592-V635 VanDerWaalsContact O-CG2 3.27Å; S592-V635 WeakPolarHBondContact O-CG2 3.48Å; S592-V635 PolarHBondContact O-N 3.32Å; A594-V635 HydrophobicContact CB-CG2 3.83Å; I632-V635 HydrophobicContact CB-CG2 4.1Å; I632-V635 HydrophobicContact CG2-CG2 3.88Å; Y633-V635 VanDerWaalsContact C-N 3.34Å; Y633-V635 PolarHBondContact O-N 2.83Å; V635-D639 HydrophobicContact CG1-CB 4.07Å; V635-L667 HydrophobicContact CG1-CD2 3.97Å; V635-L669 HydrophobicContact CG1-CD2 3.83Å
636	A	88.9	Confident	86.7	Confident	21 Å²	21	44.5 Å²	44.5	17%	0.174	25%	0.25	C	S	.	.			trans	-108.3	168.8	-176.4	0	0	0	0	0	111.3	S634 E638 D639	S634-A636 PolarHBondContact O-N 3.25Å; A636-E638 VanDerWaalsContact CB-CD 3.41Å; A636-E638 HydrophobicContact CB-CG 4.27Å; A636-E638 VanDerWaalsContact CB-OE2 3.28Å; A636-E638 WeakPolarHBondContact CB-OE2 3.46Å; A636-E638 PolarHBondContact O-N 3.28Å; A636-E638 VanDerWaalsContact O-N 3.16Å; A636-D639 PolarHBondContact N-OD2 3.28Å; A636-D639 PolarHBondContact O-N 2.91Å
637	P	88.1	Confident	88.3	Confident	87 Å²	87	42.1 Å²	42.1	57%	0.565	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-56.8	-30.1	-178.7	-27.4	36.9	0	0	0	114.7	Q640 L669	P637-Q640 PolarHBondContact O-NE2 3.08Å; P637-L669 HydrophobicContact CB-CD1 4.17Å; P637-L669 HydrophobicContact CG-CD1 3.96Å
638	E	87.6	Confident	89.5	Confident	127 Å²	127	36.3 Å²	36.3	59%	0.593	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-73.5	-18.1	175.9	63.2	-93.8	-149	0	0	115.1	R621 A636 Q640	R621-E638 IonicContact NH2-OE1 2.92Å; A636-E638 VanDerWaalsContact CB-CD 3.41Å; A636-E638 HydrophobicContact CB-CG 4.27Å; A636-E638 VanDerWaalsContact CB-OE2 3.28Å; A636-E638 WeakPolarHBondContact CB-OE2 3.46Å; A636-E638 PolarHBondContact O-N 3.28Å; A636-E638 VanDerWaalsContact O-N 3.16Å; E638-Q640 VanDerWaalsContact C-N 3.25Å; E638-Q640 PolarHBondContact O-N 3.4Å
639	D	88.5	Confident	90.1	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.032	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-81.4	-5.2	175.9	-62.1	-64.9	0	0	0	112.1	R621 I632 V635 A636 Y643 L667	R621-D639 IonicContact CZ-OD1 3.19Å; R621-D639 IonicContact CZ-OD2 3.65Å; R621-D639 IonicContact NE-OD1 2.68Å; R621-D639 PolarHBondContact NE-OD1 2.92Å; R621-D639 IonicContact NH2-OD1 2.72Å; R621-D639 PolarHBondContact NH2-OD1 3.11Å; R621-D639 IonicContact NH2-OD2 3.76Å; R621-D639 PolarHBondContact NH2-OD2 3.15Å; I632-D639 HydrophobicContact CG2-CB 4.45Å; V635-D639 HydrophobicContact CG1-CB 4.07Å; A636-D639 PolarHBondContact N-OD2 3.28Å; A636-D639 PolarHBondContact O-N 2.91Å; D639-Y643 VanDerWaalsContact O-CE2 3.32Å; D639-Y643 WeakPolarHBondContact O-CE2 3.47Å; D639-Y643 PolarHBondContact O-OH 3.33Å; D639-L667 HydrophobicContact CB-CD2 4.4Å; D639-L667 WeakPolarHBondContact O-CD2 3.33Å
640	Q	90.8	Very high	90.2	Very high	68 Å²	68	39.7 Å²	39.7	32%	0.318	20%	0.203	S	C	.	.			trans	-71	133.9	176.8	-65.8	179.1	100	0	0	111.3	P637 E638 L669	P637-Q640 PolarHBondContact O-NE2 3.08Å; E638-Q640 VanDerWaalsContact C-N 3.25Å; E638-Q640 PolarHBondContact O-N 3.4Å; Q640-L669 HydrophobicContact CG-CB 4.47Å; Q640-L669 HydrophobicContact CG-CD1 4.43Å; Q640-L669 HydrophobicContact CG-CG 3.9Å
641	G	91.8	Very high	90	Very high	15 Å²	15	39.8 Å²	39.8	16%	0.155	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.6	-167.7	-177.8	0	0	0	0	0	113.2	N612 L667	N612-G641 WeakPolarHBondContact OD1-CA 3.46Å; G641-L667 PolarHBondContact N-O 2.79Å; G641-L667 PolarHBondContact O-N 2.94Å
642	D	92.3	Very high	89.6	Confident	47 Å²	47	42.5 Å²	42.5	25%	0.251	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121	-178.1	-71.1	-35.3	0	0	0	110.5	Y583 S611 N612 Y665 T666	Y583-D642 HydrophobicContact CD2-CB 4.33Å; Y583-D642 HydrophobicContact CE2-CB 3.97Å; S611-D642 CarbonylContact C-O 3.57Å; S611-D642 WeakPolarHBondContact CA-O 3.35Å; N612-D642 PolarHBondContact N-O 3.41Å; N612-D642 PolarHBondContact OD1-N 3.27Å; D642-Y665 CarbonylContact C-O 3.57Å; D642-Y665 WeakPolarHBondContact CA-O 2.97Å; D642-T666 WeakPolarHBondContact OD1-CB 3.33Å; D642-T666 WeakPolarHBondContact OD1-CG2 3.27Å; D642-T666 PolarHBondContact OD1-OG1 3.47Å
643	Y	91.9	Very high	89.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.008	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.2	177.5	-70.4	-104	0	0	0	109.9	L596 K610 L616 F622 L630 I632 D639 G664 Y665 L667	L596-Y643 HydrophobicContact CD1-CD1 4.08Å; L596-Y643 HydrophobicContact CD1-CD2 4.28Å; L596-Y643 HydrophobicContact CD1-CG 3.8Å; K610-Y643 CarbonylContact O-C 3.58Å; K610-Y643 VanDerWaalsContact O-CA 3.28Å; K610-Y643 WeakPolarHBondContact O-CA 3.26Å; L616-Y643 HydrophobicContact CD1-CD1 3.87Å; L616-Y643 HydrophobicContact CD1-CE1 3.93Å; F622-Y643 HydrophobicContact CE1-CE1 4.49Å; L630-Y643 HydrophobicContact CD2-CD1 3.7Å; L630-Y643 HydrophobicContact CD2-CE1 4.04Å; I632-Y643 HydrophobicContact CD1-CD1 4.37Å; I632-Y643 HydrophobicContact CD1-CE1 3.68Å; I632-Y643 HydrophobicContact CD1-CE2 4.18Å; D639-Y643 VanDerWaalsContact O-CE2 3.32Å; D639-Y643 WeakPolarHBondContact O-CE2 3.47Å; D639-Y643 PolarHBondContact O-OH 3.33Å; Y643-G664 CarbonylContact O-C 3.56Å; Y643-G664 WeakPolarHBondContact O-CA 3.49Å; Y643-Y665 PolarHBondContact N-O 3.2Å; Y643-Y665 PolarHBondContact O-N 3.01Å; Y643-L667 HydrophobicContact CD2-CB 4.15Å; Y643-L667 HydrophobicContact CE2-CB 4Å; Y643-L667 HydrophobicContact CE2-CD2 4.08Å
644	Q	91.9	Very high	89.1	Confident	21 Å²	21	44.3 Å²	44.3	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.2	178.8	-69.7	175.6	-20.1	0	0	110.1	Y583 W609 K610 L661 A663	Y583-Q644 HydrophobicContact CE2-CG 4.31Å; Y583-Q644 WeakPolarHBondContact OH-CG 3.39Å; Y583-Q644 PolarHBondContact OH-NE2 2.98Å; W609-Q644 CarbonylContact C-O 3.56Å; W609-Q644 WeakPolarHBondContact CA-O 3.49Å; K610-Q644 HydrophobicContact CB-CB 4.4Å; K610-Q644 PolarHBondContact N-O 3.34Å; K610-Q644 PolarHBondContact O-N 3.37Å; Q644-L661 HydrophobicContact CB-CD1 3.68Å; Q644-L661 HydrophobicContact CG-CD1 3.87Å; Q644-A663 WeakPolarHBondContact CA-O 3.46Å
645	C	90.9	Very high	89	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	124.6	166.9	-176.1	0	0	0	0	110.6	C598 V607 W609 L662 A663	C598-C645 HydrophobicContact CB-CB 3.66Å; C598-C645 WeakPolarHBondContact CB-SG 3.14Å; C598-C645 WeakPolarHBondContact SG-CB 3.37Å; C598-C645 CovalentContact SG-SG 2.01Å; C598-C645 PolarHBondContact SG-SG 2.77Å; V607-C645 WeakPolarHBondContact CG1-SG 3.14Å; W609-C645 HydrophobicContact CD2-CB 3.98Å; W609-C645 HydrophobicContact CE3-CB 4.04Å; W609-C645 HydrophobicContact CH2-CB 3.82Å; W609-C645 HydrophobicContact CZ2-CB 3.74Å; W609-C645 HydrophobicContact CZ3-CB 3.96Å; C645-L662 PolarHBondContact O-N 3.47Å; C645-A663 HydrophobicContact CB-CB 4.35Å; C645-A663 PolarHBondContact N-O 3.01Å; C645-A663 PolarHBondContact O-N 2.75Å
646	W	89.7	Confident	89	Confident	52 Å²	52	46.2 Å²	46.2	20%	0.197	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.8	176.6	-64.6	77.2	0	0	0	110.6	V607 M608 R660 L661	V607-W646 CarbonylContact C-O 3.56Å; V607-W646 WeakPolarHBondContact CA-O 3.37Å; M608-W646 HydrophobicContact CB-CB 4.47Å; M608-W646 PolarHBondContact N-O 3.23Å; M608-W646 PolarHBondContact O-N 2.93Å; W646-R660 CarbonylContact C-O 3.57Å; W646-R660 WeakPolarHBondContact CA-O 3.39Å; W646-R660 VanDerWaalsContact CE3-C 3.45Å; W646-L661 HydrophobicContact CD2-CB 4.2Å; W646-L661 HydrophobicContact CD2-CD1 4.26Å; W646-L661 HydrophobicContact CE3-CB 4.11Å; W646-L661 HydrophobicContact CG-CD1 4.48Å; W646-L661 HydrophobicContact CH2-CB 4.01Å; W646-L661 HydrophobicContact CZ2-CB 4.12Å; W646-L661 HydrophobicContact CZ2-CD1 4.12Å; W646-L661 HydrophobicContact CZ3-CB 4.01Å
647	S	90.3	Very high	89.1	Confident	16 Å²	16	49 Å²	49	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	142.8	161	53.3	0	0	0	0	110.2	S659 R660	S647-S659 CarbonylContact O-C 3.52Å; S647-S659 VanDerWaalsContact O-CA 3.28Å; S647-S659 WeakPolarHBondContact O-CA 3.5Å; S647-R660 PolarHBondContact N-O 3.5Å; S647-R660 PolarHBondContact O-N 3.07Å; S647-R660 PolarHBondContact OG-O 3.44Å
648	V	90.4	Very high	89.1	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	118.9	171.4	-176.4	0	0	0	0	109.2	A605 H606 M608 N657 F658	A605-V648 WeakPolarHBondContact CA-O 3.09Å; H606-V648 VanDerWaalsContact CE1-CB 3.47Å; H606-V648 WeakPolarHBondContact CE1-CB 3.36Å; H606-V648 VanDerWaalsContact CE1-CG1 3.5Å; H606-V648 WeakPolarHBondContact CE1-CG1 3.48Å; H606-V648 PolarHBondContact N-O 3.18Å; H606-V648 PolarHBondContact ND1-O 2.98Å; H606-V648 VanDerWaalsContact ND1-O 3.1Å; H606-V648 PolarHBondContact O-N 3.43Å; M608-V648 HydrophobicContact CE-CG2 3.68Å; M608-V648 HydrophobicContact CG-CG2 4.05Å; M608-V648 HydrophobicContact SD-CG2 3.99Å; V648-N657 HydrophobicContact CG1-CB 3.79Å; V648-F658 WeakPolarHBondContact CA-O 3.27Å
649	E	91.8	Very high	89.2	Confident	14 Å²	14	43.1 Å²	43.1	7%	0.065	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.8	-179.2	-165.4	172.6	145.2	0	0	109.8	R47 L531 S602 L604 A605 N657 F658	R47-E649 IonicContact CZ-OE1 3.51Å; R47-E649 IonicContact CZ-OE2 2.74Å; R47-E649 IonicContact NE-OE1 2.98Å; R47-E649 PolarHBondContact NE-OE1 3.2Å; R47-E649 IonicContact NE-OE2 3.44Å; R47-E649 PolarHBondContact NE-OE2 2.86Å; R47-E649 IonicContact NH2-OE1 3.84Å; R47-E649 IonicContact NH2-OE2 2.66Å; R47-E649 PolarHBondContact NH2-OE2 3.27Å; L531-E649 HydrophobicContact CD1-CB 4.41Å; S602-E649 WeakPolarHBondContact CB-OE2 3.13Å; S602-E649 PolarHBondContact OG-OE2 3.01Å; L604-E649 HydrophobicContact CB-CG 4.43Å; A605-E649 HydrophobicContact CB-CB 4.02Å; A605-E649 HydrophobicContact CB-CG 4.34Å; E649-N657 CarbonylContact O-C 3.5Å; E649-N657 WeakPolarHBondContact O-CA 3.38Å; E649-F658 PolarHBondContact N-O 3.1Å; E649-F658 PolarHBondContact O-N 2.69Å
650	W	88.3	Confident	89	Confident	133 Å²	133	46.1 Å²	46.1	50%	0.504	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.7	178.4	173.6	-105.5	0	0	0	110.5	P652 G655 K656	W650-P652 WeakPolarHBondContact O-CD 3.37Å; W650-G655 WeakPolarHBondContact CH2-O 3.37Å; W650-G655 WeakPolarHBondContact CZ3-O 3.27Å; W650-K656 VanDerWaalsContact CE3-C 3.4Å
651	A	86.2	Confident	88.9	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.025	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	104.5	173.2	0	0	0	0	0	110	T653 V654 G655 K656 F658	A651-T653 PolarHBondContact O-N 2.73Å; A651-V654 HydrophobicContact CB-CB 4.31Å; A651-V654 HydrophobicContact CB-CG2 4.34Å; A651-V654 PolarHBondContact O-N 2.89Å; A651-G655 PolarHBondContact O-N 3.49Å; A651-K656 PolarHBondContact N-O 3.35Å; A651-F658 HydrophobicContact CB-CD2 3.84Å; A651-F658 HydrophobicContact CB-CE2 3.65Å
652	P	82.3	Confident	88.6	Confident	83 Å²	83	46.3 Å²	46.3	54%	0.539	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-39.6	-170.7	-22.9	34	0	0	0	113.7	W650 V654 G655	W650-P652 WeakPolarHBondContact O-CD 3.37Å; P652-V654 VanDerWaalsContact C-N 3.27Å; P652-V654 PolarHBondContact O-N 3.07Å; P652-G655 PolarHBondContact O-N 3.29Å
653	T	82.6	Confident	88.5	Confident	92 Å²	92	45 Å²	45	56%	0.564	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-25.3	-176.8	-46.6	0	0	0	0	112.8	R533 A651	R533-T653 PolarHBondContact NH2-OG1 3.37Å; A651-T653 PolarHBondContact O-N 2.73Å
654	V	86.3	Confident	88.5	Confident	54 Å²	54	45.4 Å²	45.4	33%	0.327	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-24.2	177.6	-172.4	0	0	0	0	111.5	D568 A651 P652 K656	D568-V654 HydrophobicContact CB-CG2 3.69Å; A651-V654 HydrophobicContact CB-CB 4.31Å; A651-V654 HydrophobicContact CB-CG2 4.34Å; A651-V654 PolarHBondContact O-N 2.89Å; P652-V654 VanDerWaalsContact C-N 3.27Å; P652-V654 PolarHBondContact O-N 3.07Å; V654-K656 HydrophobicContact CG1-CB 4.08Å
655	G	87.4	Confident	88.5	Confident	44 Å²	44	45 Å²	45	45%	0.454	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	34.2	-176.2	0	0	0	0	0	113.2	W650 A651 P652	W650-G655 WeakPolarHBondContact CH2-O 3.37Å; W650-G655 WeakPolarHBondContact CZ3-O 3.27Å; A651-G655 PolarHBondContact O-N 3.49Å; P652-G655 PolarHBondContact O-N 3.29Å
656	K	90.6	Very high	88.7	Confident	78 Å²	78	46 Å²	46	34%	0.339	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	146.7	-173.9	-173.3	-177.8	175.2	-169.9	0	112.3	D570 W650 A651 V654 F658	D570-K656 IonicContact OD1-NZ 3.88Å; D570-K656 PolarHBondContact OD1-NZ 2.64Å; D570-K656 IonicContact OD2-NZ 2.65Å; D570-K656 PolarHBondContact OD2-NZ 2.63Å; W650-K656 VanDerWaalsContact CE3-C 3.4Å; A651-K656 PolarHBondContact N-O 3.35Å; V654-K656 HydrophobicContact CG1-CB 4.08Å; K656-F658 HydrophobicContact CB-CE2 4.41Å; K656-F658 HydrophobicContact CD-CE1 4.17Å; K656-F658 HydrophobicContact CD-CZ 4.03Å
657	N	90.6	Very high	88.9	Confident	80 Å²	80	43.6 Å²	43.6	43%	0.428	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	128.5	166.1	-83.4	-35.7	0	0	0	110.9	V648 E649	V648-N657 HydrophobicContact CG1-CB 3.79Å; E649-N657 CarbonylContact O-C 3.5Å; E649-N657 WeakPolarHBondContact O-CA 3.38Å
658	F	89.9	Confident	89	Confident	16 Å²	16	48.4 Å²	48.4	7%	0.07	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.8	170.5	-70	-79.3	0	0	0	109.9	L531 G567 A569 D570 V648 E649 A651 K656	L531-F658 HydrophobicContact CD1-CB 4.19Å; L531-F658 HydrophobicContact CD2-CB 4.34Å; L531-F658 HydrophobicContact CD2-CD2 3.92Å; L531-F658 HydrophobicContact CD2-CG 4.34Å; G567-F658 WeakPolarHBondContact O-CE2 3.09Å; A569-F658 HydrophobicContact CB-CD1 3.76Å; A569-F658 HydrophobicContact CB-CE1 3.84Å; A569-F658 HydrophobicContact CB-CG 4.18Å; A569-F658 HydrophobicContact CB-CZ 4.34Å; A569-F658 VanDerWaalsContact N-CZ 3.33Å; D570-F658 HydrophobicContact CB-CE1 4.49Å; D570-F658 WeakPolarHBondContact OD1-CE1 3.49Å; V648-F658 WeakPolarHBondContact CA-O 3.27Å; E649-F658 PolarHBondContact N-O 3.1Å; E649-F658 PolarHBondContact O-N 2.69Å; A651-F658 HydrophobicContact CB-CD2 3.84Å; A651-F658 HydrophobicContact CB-CE2 3.65Å; K656-F658 HydrophobicContact CB-CE2 4.41Å; K656-F658 HydrophobicContact CD-CE1 4.17Å; K656-F658 HydrophobicContact CD-CZ 4.03Å
659	S	88.4	Confident	89	Confident	74 Å²	74	48.8 Å²	48.8	52%	0.517	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.8	-173.5	70.1	0	0	0	0	112.3	S647	S647-S659 CarbonylContact O-C 3.52Å; S647-S659 VanDerWaalsContact O-CA 3.28Å; S647-S659 WeakPolarHBondContact O-CA 3.5Å
660	R	85.3	Confident	88.9	Confident	70 Å²	70	51.6 Å²	51.6	26%	0.264	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	137.4	-177.8	172.7	177.9	167.7	-166.2	-3.7	111.3	T525 W646 S647 L662	T525-R660 VanDerWaalsContact CG2-NH2 3.3Å; T525-R660 PolarHBondContact OG1-NH1 3.48Å; W646-R660 CarbonylContact C-O 3.57Å; W646-R660 WeakPolarHBondContact CA-O 3.39Å; W646-R660 VanDerWaalsContact CE3-C 3.45Å; S647-R660 PolarHBondContact N-O 3.5Å; S647-R660 PolarHBondContact O-N 3.07Å; S647-R660 PolarHBondContact OG-O 3.44Å; R660-L662 HydrophobicContact CG-CD2 4.36Å
661	L	87.3	Confident	88.4	Confident	33 Å²	33	50.4 Å²	50.4	17%	0.173	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.9	168.7	-179.2	67.5	0	0	0	108.7	V578 Q644 W646 A663	V578-L661 HydrophobicContact CB-CD2 3.78Å; V578-L661 HydrophobicContact CG2-CD2 3.73Å; Q644-L661 HydrophobicContact CB-CD1 3.68Å; Q644-L661 HydrophobicContact CG-CD1 3.87Å; W646-L661 HydrophobicContact CD2-CB 4.2Å; W646-L661 HydrophobicContact CD2-CD1 4.26Å; W646-L661 HydrophobicContact CE3-CB 4.11Å; W646-L661 HydrophobicContact CG-CD1 4.48Å; W646-L661 HydrophobicContact CH2-CB 4.01Å; W646-L661 HydrophobicContact CZ2-CB 4.12Å; W646-L661 HydrophobicContact CZ2-CD1 4.12Å; W646-L661 HydrophobicContact CZ3-CB 4.01Å; L661-A663 WeakPolarHBondContact CD1-O 3.42Å
662	L	86.9	Confident	87.8	Confident	54 Å²	54	55.4 Å²	55.4	28%	0.283	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-43.3	-179.7	-65	178.9	0	0	0	112.1	V600 C645 R660	V600-L662 HydrophobicContact CB-CD1 4.39Å; V600-L662 HydrophobicContact CG2-CD1 3.48Å; V600-L662 VanDerWaalsContact CG2-CD1 3.48Å; C645-L662 PolarHBondContact O-N 3.47Å; R660-L662 HydrophobicContact CG-CD2 4.36Å
663	A	89	Confident	86.9	Confident	20 Å²	20	57.7 Å²	57.7	17%	0.165	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.1	-178.1	0	0	0	0	0	111.6	Q644 C645 L661 Y665	Q644-A663 WeakPolarHBondContact CA-O 3.46Å; C645-A663 HydrophobicContact CB-CB 4.35Å; C645-A663 PolarHBondContact N-O 3.01Å; C645-A663 PolarHBondContact O-N 2.75Å; L661-A663 WeakPolarHBondContact CD1-O 3.42Å; A663-Y665 HydrophobicContact CB-CD2 4.46Å; A663-Y665 HydrophobicContact CB-CE2 3.53Å
664	G	91.9	Very high	85.4	Confident	10 Å²	10	56.3 Å²	56.3	10%	0.103	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.8	175	0	0	0	0	0	110.5	Y583 Q584 Y643	Y583-G664 CarbonylContact C-O 3.53Å; Y583-G664 VanDerWaalsContact CA-O 3.32Å; Y583-G664 WeakPolarHBondContact CA-O 3.47Å; Q584-G664 PolarHBondContact N-O 3.32Å; Y643-G664 CarbonylContact O-C 3.56Å; Y643-G664 WeakPolarHBondContact O-CA 3.49Å
665	Y	93	Very high	83.6	Confident	13 Å²	13	59.6 Å²	59.6	5%	0.051	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	143.3	-176.3	-61.2	-86.4	0	0	0	110.5	Q584 V586 L596 P597 W609 D642 Y643 A663	Q584-Y665 HydrophobicContact CB-CD1 3.77Å; Q584-Y665 HydrophobicContact CB-CE1 3.91Å; Q584-Y665 HydrophobicContact CG-CD1 4.26Å; Q584-Y665 HydrophobicContact CG-CE1 4.22Å; Q584-Y665 CarbonylContact O-C 3.55Å; Q584-Y665 VanDerWaalsContact O-CA 3.26Å; Q584-Y665 WeakPolarHBondContact O-CA 3.47Å; V586-Y665 HydrophobicContact CG2-CD1 3.84Å; L596-Y665 HydrophobicContact CB-CD2 4.14Å; L596-Y665 HydrophobicContact CB-CE2 4.24Å; L596-Y665 HydrophobicContact CB-CG 4.39Å; L596-Y665 HydrophobicContact CD1-CD2 4.44Å; L596-Y665 HydrophobicContact CD1-CG 4.39Å; L596-Y665 HydrophobicContact CD2-CD1 3.94Å; L596-Y665 HydrophobicContact CD2-CG 3.95Å; L596-Y665 HydrophobicContact CG-CG 4.48Å; P597-Y665 PolarHBondContact O-OH 2.7Å; W609-Y665 AromaticContact CH2-CD2 3.98Å; W609-Y665 HydrophobicContact CH2-CD2 3.98Å; W609-Y665 AromaticContact CH2-CE2 3.76Å; W609-Y665 HydrophobicContact CH2-CE2 3.76Å; W609-Y665 AromaticContact CZ3-CD2 3.96Å; W609-Y665 HydrophobicContact CZ3-CD2 3.96Å; W609-Y665 HydrophobicContact CZ3-CE2 4.19Å; D642-Y665 CarbonylContact C-O 3.57Å; D642-Y665 WeakPolarHBondContact CA-O 2.97Å; Y643-Y665 PolarHBondContact N-O 3.2Å; Y643-Y665 PolarHBondContact O-N 3.01Å; A663-Y665 HydrophobicContact CB-CD2 4.46Å; A663-Y665 HydrophobicContact CB-CE2 3.53Å
666	T	94.3	Very high	81.6	Confident	21 Å²	21	63.5 Å²	63.5	13%	0.129	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	106.3	168.2	-58.5	0	0	0	0	108.6	Q584 V586 D642 K668	Q584-T666 PolarHBondContact O-N 3.22Å; V586-T666 PolarHBondContact N-O 2.89Å; D642-T666 WeakPolarHBondContact OD1-CB 3.33Å; D642-T666 WeakPolarHBondContact OD1-CG2 3.27Å; D642-T666 PolarHBondContact OD1-OG1 3.47Å; T666-K668 HydrophobicContact CG2-CG 4.32Å
667	L	93.4	Very high	79.4	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	129	-179.9	-169.5	69.1	0	0	0	110.5	V586 V588 A594 I632 V635 D639 G641 Y643	V586-L667 HydrophobicContact CB-CD1 3.91Å; V586-L667 HydrophobicContact CG1-CD1 3.87Å; V588-L667 HydrophobicContact CB-CD1 4.39Å; V588-L667 HydrophobicContact CG2-CD1 3.66Å; A594-L667 HydrophobicContact CB-CD1 3.78Å; A594-L667 HydrophobicContact CB-CD2 4.33Å; I632-L667 HydrophobicContact CD1-CD2 3.71Å; V635-L667 HydrophobicContact CG1-CD2 3.97Å; D639-L667 HydrophobicContact CB-CD2 4.4Å; D639-L667 WeakPolarHBondContact O-CD2 3.33Å; G641-L667 PolarHBondContact N-O 2.79Å; G641-L667 PolarHBondContact O-N 2.94Å; Y643-L667 HydrophobicContact CD2-CB 4.15Å; Y643-L667 HydrophobicContact CE2-CB 4Å; Y643-L667 HydrophobicContact CE2-CD2 4.08Å
668	K	93	Very high	77.1	Confident	117 Å²	117	72 Å²	72	51%	0.509	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	146.9	176.9	-65.1	-167.2	176.9	-169	0	111.7	V586 L587 V588 T666	V586-K668 PolarHBondContact O-N 3.42Å; L587-K668 WeakPolarHBondContact CA-O 3.37Å; V588-K668 PolarHBondContact N-O 3.1Å; T666-K668 HydrophobicContact CG2-CG 4.32Å
669	L	91.3	Very high	74.6	Confident	15 Å²	15	77.6 Å²	77.6	8%	0.079	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.6	173.1	-73.5	179	0	0	0	111.3	V588 P590 V635 P637 Q640 L671	V588-L669 CarbonylContact O-C 3.57Å; V588-L669 VanDerWaalsContact O-CA 3.3Å; V588-L669 WeakPolarHBondContact O-CA 3.32Å; V588-L669 WeakPolarHBondContact O-CD2 3.42Å; P590-L669 HydrophobicContact CB-CD2 4.35Å; P590-L669 HydrophobicContact CG-CD1 4.28Å; P590-L669 HydrophobicContact CG-CD2 4.07Å; V635-L669 HydrophobicContact CG1-CD2 3.83Å; P637-L669 HydrophobicContact CB-CD1 4.17Å; P637-L669 HydrophobicContact CG-CD1 3.96Å; Q640-L669 HydrophobicContact CG-CB 4.47Å; Q640-L669 HydrophobicContact CG-CD1 4.43Å; Q640-L669 HydrophobicContact CG-CG 3.9Å; L669-L671 VanDerWaalsContact C-N 3.26Å; L669-L671 HydrophobicContact CB-CD1 4.48Å; L669-L671 HydrophobicContact CB-CD2 4.37Å; L669-L671 HydrophobicContact CB-CG 3.96Å; L669-L671 PolarHBondContact O-N 3.32Å
670	D	88.1	Confident	72.4	Confident	73 Å²	73	81.5 Å²	81.5	39%	0.39	47%	0.471	S	S	.	.			trans	-75.3	80.5	167	-175.4	31.6	0	0	0	109.2	L587 V588 K589	L587-D670 HydrophobicContact CB-CB 4.5Å; L587-D670 HydrophobicContact CD2-CB 4.44Å; V588-D670 PolarHBondContact O-N 3.39Å; K589-D670 HydrophobicContact CG-CB 4.16Å
671	L	79.7	Confident	70	Confident	107 Å²	107	89.8 Å²	89.8	56%	0.56	50%	0.502	S	S	*	.			trans	-88.1	132.3	176.1	-66.5	173	0	0	0	109.8	P590 L669	P590-L671 HydrophobicContact CG-CD2 3.87Å; L669-L671 VanDerWaalsContact C-N 3.26Å; L669-L671 HydrophobicContact CB-CD1 4.48Å; L669-L671 HydrophobicContact CB-CD2 4.37Å; L669-L671 HydrophobicContact CB-CG 3.96Å; L669-L671 PolarHBondContact O-N 3.32Å
672	P	72.9	Confident	67.8	Low	109 Å²	109	96 Å²	96	71%	0.708	54%	0.535	S	S	*	.			trans	-59.8	143.8	175.8	25.6	-33.6	0	0	0	110.5	G674	P672-G674 PolarHBondContact O-N 2.97Å
673	P	62.2	Low	65.2	Low	131 Å²	131	98.3 Å²	98.3	85%	0.851	56%	0.562	S	S	*	*			trans	-60	115.2	-173.4	22.6	-33.1	0	0	0	111.1
674	G	52.5	Low	62.3	Low	63 Å²	63	103 Å²	103	65%	0.649	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-62.8	144.6	178.2	0	0	0	0	0	111.7	P672	P672-G674 PolarHBondContact O-N 2.97Å
675	P	48.1	Very low	59.3	Low	123 Å²	123	108.6 Å²	108.6	80%	0.799	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-61.8	144.5	177.6	26.8	-34.4	0	0	0	110.7	A677	P675-A677 PolarHBondContact O-N 3.11Å
676	P	45.8	Very low	56.1	Low	125 Å²	125	114 Å²	114	81%	0.812	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-61.5	132.2	-174	24.1	-33.8	0	0	0	111.5	R678	P676-R678 PolarHBondContact O-N 2.92Å
677	A	44.3	Very low	52.9	Low	98 Å²	98	124.1 Å²	124.1	81%	0.81	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-60	119.9	-174.9	0	0	0	0	0	111.7	P675 T679	P675-A677 PolarHBondContact O-N 3.11Å; A677-T679 PolarHBondContact O-N 2.03Å
678	R	40.9	Very low	49.7	Very low	240 Å²	240	128.8 Å²	128.8	91%	0.906	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-68.4	117.9	169.9	-81.3	-175.8	170.4	-177.6	-2.3	109.5	P676 N680	P676-R678 PolarHBondContact O-N 2.92Å; R678-N680 PolarHBondContact O-N 3.38Å
679	T	38.8	Very low	46.6	Very low	132 Å²	132	130.6 Å²	130.6	81%	0.81	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-58.9	125.8	171.6	45.8	0	0	0	0	111.4	A677 R681	A677-T679 PolarHBondContact O-N 2.03Å; T679-R681 PolarHBondContact O-N 3.36Å
680	N	40.9	Very low	43.5	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-59.6	132.6	173	-78.1	-27.8	0	0	0	111.7	R678	R678-N680 PolarHBondContact O-N 3.38Å
681	R	35.3	Very low	40.6	Very low	244 Å²	244	139.5 Å²	139.5	92%	0.921	78%	0.781	S	S	*	*			trans	-118.4	118	153.6	-85.6	-171.1	171.6	-173.4	-1.9	108.6	T679	T679-R681 PolarHBondContact O-N 3.36Å
682	L	41.8	Very low	38.1	Very low	163 Å²	163	139.2 Å²	139.2	85%	0.853	79%	0.788	S	S	*	*			trans	-67.6	134.1	161.6	-95.7	76.7	0	0	0	109
683	A	31.7	Very low	35.9	Very low	103 Å²	103	138.8 Å²	138.8	85%	0.851	79%	0.788	S	S	*	*			trans	-146.9	114.7	154.2	0	0	0	0	0	108.7
684	T	29.5	Very low	34.4	Very low	119 Å²	119	139.3 Å²	139.3	73%	0.73	79%	0.788	S	S	*	*			trans	-78.6	149.9	179.5	-29.7	0	0	0	0	110.7
685	T	27.8	Very low	33.2	Very low	127 Å²	127	143.8 Å²	143.8	78%	0.779	80%	0.796	S	S	*	*			trans	135.8	129.3	135.7	52.7	0	0	0	0	118.9
686	V	26.7	Very low	32.9	Very low	128 Å²	128	143.5 Å²	143.5	78%	0.776	80%	0.795	S	S	*	*			trans	76.6	98.4	136.5	176.4	0	0	0	0	120.6
687	R	25.7	Very low	32.1	Very low	233 Å²	233	142.4 Å²	142.4	88%	0.879	80%	0.796	S	S	*	*				42.7	117.9	117.7	-169.2	-169.6	-158.4	179.6	7	120
688	S	26.4	Very low	31.4	Very low	99 Å²	99	147.3 Å²	147.3	69%	0.692	80%	0.802	S	S	*	*				-177.8	133.5	117.4	55	0	0	0	0	114.8
689	Q	28	Very low	30.8	Very low	154 Å²	154	139.9 Å²	139.9	72%	0.72	80%	0.8	S	S	*	*			trans	49.6	129.9	140.7	-78.4	165.8	-83.3	0	0	123.6
690	E	27.3	Very low	30.3	Very low	153 Å²	153	141.9 Å²	141.9	72%	0.715	81%	0.806	S	S	*	*			trans	77.5	142.3	132.3	-68.7	165.6	-157.5	0	0	118.3
691	T	26.5	Very low	29.7	Very low	122 Å²	122	137.2 Å²	137.2	75%	0.748	79%	0.794	S	S	*	*			cis	-148.8	177.9	4.8	-9.7	0	0	0	0	111.5
692	S	27.6	Very low	29.4	Very low	102 Å²	102	135.1 Å²	135.1	71%	0.713	79%	0.792	S	S	*	*			trans	-41.7	166	167.2	61.5	0	0	0	0	115.8
693	S	27.2	Very low	28.7	Very low	100 Å²	100	133 Å²	133	70%	0.699	79%	0.786	S	S	*	*			cis	-171.4	154.4	43.8	55.9	0	0	0	0	116.5
694	V	29.4	Very low	28.5	Very low	141 Å²	141	135.2 Å²	135.2	86%	0.855	78%	0.779	S	S	*	*			trans	79.2	107.3	141.8	172.2	0	0	0	0	121
695	L	27.6	Very low	28.4	Very low	157 Å²	157	139.1 Å²	139.1	82%	0.822	78%	0.78	S	S	*	*			trans	-66.4	-166.1	156.6	-72.1	160.5	0	0	0	112.9
696	P	42.6	Very low	28.3	Very low	118 Å²	118	141.4 Å²	141.4	77%	0.766	78%	0.782	S	S	*	*			cis	-130.8	-176.4	-46	33	-15.8	0	0	0	111.9
697	A	28.7	Very low	29.1	Very low	102 Å²	102	140.3 Å²	140.3	84%	0.843	78%	0.777	S	S	*	*			trans	-166	139.9	131.7	0	0	0	0	0	112.1
698	E	28.4	Very low	29.1	Very low	201 Å²	201	136.2 Å²	136.2	94%	0.939	77%	0.772	S	S	*	*			trans	-88.3	159.8	175.3	-61.8	166.4	109.9	0	0	112
699	G	28.9	Very low	29.1	Very low	83 Å²	83	136.8 Å²	136.8	86%	0.856	77%	0.772	S	S	*	*			trans	-160.8	109.7	172	0	0	0	0	0	111.4
700	N	28.1	Very low	29	Very low	175 Å²	175	135.1 Å²	135.1	94%	0.936	78%	0.777	S	S	*	*			trans	-112.3	144.5	-164.1	-166.4	0.2	0	0	0	111.9
701	G	28.1	Very low	29	Very low	57 Å²	57	131.8 Å²	131.8	59%	0.588	78%	0.776	S	S	*	*			trans	125.3	119.9	147	0	0	0	0	0	121.4
702	K	28.8	Very low	29	Very low	200 Å²	200	130.4 Å²	130.4	87%	0.87	77%	0.771	S	S	*	*				77.4	107.6	129.2	-65.3	-175.1	177.4	-179.7	0	123.8
703	T	27.8	Very low	28.9	Very low	120 Å²	120	135.2 Å²	135.2	74%	0.736	78%	0.779	S	S	*	*				56.9	125.5	116.7	-12.5	0	0	0	0	124.5
704	E	27.1	Very low	28.8	Very low	149 Å²	149	136.1 Å²	136.1	70%	0.696	78%	0.781	S	S	*	*				106.5	122.3	129.2	-116.2	-178.5	161.8	0	0	124.1
705	R	26.8	Very low	28.7	Very low	200 Å²	200	135.5 Å²	135.5	76%	0.755	78%	0.783	S	S	*	*			trans	50.5	114.3	149.9	-78.4	166.2	-166	-115.7	-3.2	123.5
706	Q	26.1	Very low	28.7	Very low	176 Å²	176	134.1 Å²	134.1	82%	0.822	78%	0.781	S	S	*	*				44.3	160.5	119	-80.6	-172.8	-23.1	0	0	122.6
707	P	43.2	Very low	28.1	Very low	104 Å²	104	134.1 Å²	134.1	68%	0.675	78%	0.779	S	S	*	*			cis	-138.4	-157.1	-29.7	38	-17.1	0	0	0	113.1
708	L	26.1	Very low	28	Very low	148 Å²	148	136.8 Å²	136.8	78%	0.775	78%	0.778	S	S	*	*			trans	99.1	95.3	161.1	-70.4	146.9	0	0	0	121.1
709	T	27	Very low	27.9	Very low	111 Å²	111	133.7 Å²	133.7	68%	0.681	77%	0.767	S	S	*	*				47.7	122.2	124.7	56.5	0	0	0	0	123.7
710	S	26.7	Very low	27.7	Very low	118 Å²	118	136.8 Å²	136.8	83%	0.825	77%	0.77	S	S	*	*			trans	64.6	143.2	137.4	68.7	0	0	0	0	119.6
711	A	27.2	Very low	27.8	Very low	84 Å²	84	134.2 Å²	134.2	69%	0.694	76%	0.761	S	S	*	*			cis	-151.3	161.6	13.4	0	0	0	0	0	113.4
712	S	25.2	Very low	28.2	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	77%	0.769	S	S	*	*			trans	27.3	132.8	146.8	58.9	0	0	0	0	121.9
713	F	27	Very low	28.5	Very low	202 Å²	202	133.9 Å²	133.9	89%	0.886	77%	0.768	S	S	*	*				-160	165	110.6	-102.2	-66.1	0	0	0	112.6
714	T	25	Very low	28.5	Very low	119 Å²	119	136.4 Å²	136.4	73%	0.73	77%	0.772	S	S	*	*			trans	-102.8	159.2	-162.3	43.2	0	0	0	0	114.8
715	S	27.1	Very low	28.6	Very low	128 Å²	128	136.4 Å²	136.4	90%	0.895	78%	0.782	S	S	*	*			trans	-142.8	113.5	156.9	-65.1	0	0	0	0	112
716	T	26.4	Very low	28.5	Very low	128 Å²	128	133.7 Å²	133.7	79%	0.785	78%	0.783	S	S	*	*			trans	-74.4	168.3	164.8	-14.9	0	0	0	0	109
717	V	30.1	Very low	29.5	Very low	118 Å²	118	130.3 Å²	130.3	72%	0.715	78%	0.776	S	S	*	*			cis	-164.9	163.7	49.3	-138.6	0	0	0	0	105.5
718	L	26.6	Very low	28.7	Very low	159 Å²	159	130.5 Å²	130.5	83%	0.832	78%	0.78	S	S	*	*				-172.5	160.9	52.6	-149.8	127.7	0	0	0	112.8
719	L	27.1	Very low	28.7	Very low	135 Å²	135	131.5 Å²	131.5	71%	0.707	79%	0.785	S	S	*	*			trans	-87.7	164.9	-172.1	-75.8	81.7	0	0	0	115.4
720	T	24.3	Very low	28.9	Very low	149 Å²	149	132.6 Å²	132.6	91%	0.914	79%	0.792	S	S	*	*			trans	-146.1	153.4	134.8	12.8	0	0	0	0	111.1
721	T	30.3	Very low	29.1	Very low	121 Å²	121	132.4 Å²	132.4	74%	0.742	79%	0.788	S	S	*	*			trans	-110.4	159.5	-168.2	41	0	0	0	0	114.1
722	P	35.8	Very low	29.5	Very low	117 Å²	117	133.9 Å²	133.9	76%	0.76	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-93.6	163	166.3	37.3	-33	0	0	0	112.9
723	P	35.3	Very low	29.8	Very low	132 Å²	132	135.5 Å²	135.5	86%	0.857	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-90.9	159.6	-176.4	35.5	-35.2	0	0	0	115.3
724	Q	28.7	Very low	29.9	Very low	173 Å²	173	131.9 Å²	131.9	81%	0.808	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-93.8	156.5	177.8	-56.8	174	-61.4	0	0	113.1
725	T	27.7	Very low	30.1	Very low	150 Å²	150	130.1 Å²	130.1	92%	0.92	80%	0.804	S	S	*	*				-170.9	158.2	112.5	13.9	0	0	0	0	114.5
726	D	26.6	Very low	30	Very low	142 Å²	142	130.9 Å²	130.9	76%	0.759	80%	0.803	S	S	*	*			trans	-96.4	-169.2	-166	-92.9	-49.4	0	0	0	114.5
727	P	47	Very low	30	Very low	106 Å²	106	131.6 Å²	131.6	69%	0.688	81%	0.807	S	S	*	*			cis	-143	-169.5	-40.9	39.8	-21.7	0	0	0	115.7
728	S	25.6	Very low	29.8	Very low	107 Å²	107	137.3 Å²	137.3	75%	0.748	82%	0.816	S	S	*	*			trans	86.6	142.3	159.1	84.2	0	0	0	0	117.6
729	L	27.1	Very low	29.7	Very low	170 Å²	170	137.9 Å²	137.9	89%	0.89	82%	0.819	S	S	*	*			cis	-132.6	156.5	21	-76.3	128.7	0	0	0	114.8
730	T	29.6	Very low	29.6	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	83%	0.825	S	S	*	*			trans	-86.9	168.7	169.8	9.2	0	0	0	0	112.4
731	P	31.6	Very low	29.9	Very low	113 Å²	113	138.9 Å²	138.9	73%	0.734	82%	0.821	S	S	*	*				-152	-153.7	51.2	43.4	-20.6	0	0	0	114.7
732	P	36.3	Very low	29.9	Very low	116 Å²	116	140.7 Å²	140.7	75%	0.753	83%	0.826	S	S	*	*			cis	-118.5	179.4	-43.2	20.6	2.3	0	0	0	113.2
733	P	31.4	Very low	29.7	Very low	126 Å²	126	140.6 Å²	140.6	82%	0.818	83%	0.828	S	S	*	*			trans	-107.7	165.6	-169.8	40.2	-34	0	0	0	116.1
734	S	28.1	Very low	29.5	Very low	126 Å²	126	143.7 Å²	143.7	88%	0.881	83%	0.831	S	S	*	*			trans	-113.5	130.1	163.7	-67.3	0	0	0	0	110.4
735	G	28.5	Very low	29.6	Very low	82 Å²	82	142.1 Å²	142.1	85%	0.845	83%	0.828	S	S	*	*			trans	-90.8	158.3	-168.2	0	0	0	0	0	115.8
736	T	25.3	Very low	30	Very low	144 Å²	144	141.1 Å²	141.1	88%	0.883	82%	0.824	S	S	*	*			trans	-98	133.1	176.3	-19.3	0	0	0	0	111.2
737	V	26.6	Very low	30.6	Very low	144 Å²	144	138.7 Å²	138.7	87%	0.873	82%	0.824	S	S	*	*			trans	-131.6	134.5	161.8	178	0	0	0	0	109.3
738	R	26.6	Very low	30.1	Very low	237 Å²	237	138.4 Å²	138.4	89%	0.894	83%	0.831	S	S	*	*			trans	-70.3	149	-179.7	-80.8	172.5	160.8	170	-6.5	112.6
739	L	24.8	Very low	30.6	Very low	171 Å²	171	142.2 Å²	142.2	90%	0.895	84%	0.837	S	S	*	*			trans	-142.8	155	143.2	-99.7	158.4	0	0	0	109.4
740	Q	25.3	Very low	31.1	Very low	177 Å²	177	144.7 Å²	144.7	83%	0.827	84%	0.836	S	S	*	*			trans	-80.4	148.2	-167.7	-65.7	159.5	-82.9	0	0	113.3
741	P	30.6	Very low	31.6	Very low	128 Å²	128	146.6 Å²	146.6	83%	0.831	84%	0.84	S	S	*	*			trans	-88.2	120.2	160.2	33.3	-27.4	0	0	0	110
742	N	30.1	Very low	32.2	Very low	159 Å²	159	150.2 Å²	150.2	85%	0.85	85%	0.847	S	S	*	*			trans	-152.2	76.7	169.1	-153	37.4	0	0	0	112.3
743	S	30.3	Very low	32.6	Very low	115 Å²	115	152.4 Å²	152.4	80%	0.804	85%	0.847	S	S	*	*			trans	-161.9	110.3	159	55.5	0	0	0	0	108.9
744	Q	32.4	Very low	33.9	Very low	197 Å²	197	152.9 Å²	152.9	92%	0.921	84%	0.843	S	S	*	*			trans	-74.3	127.1	170.2	-73.5	165	-82.2	0	0	109
745	D	29.8	Very low	35.3	Very low	141 Å²	141	151.4 Å²	151.4	75%	0.754	83%	0.825	S	S	*	*			trans	-99.3	111.1	171.9	-156.8	-9	0	0	0	108.5	A747	D745-A747 VanDerWaalsContact C-N 3.27Å; D745-A747 PolarHBondContact O-N 3.07Å
746	P	36.1	Very low	36.8	Very low	128 Å²	128	151 Å²	151	83%	0.831	81%	0.809	S	S	*	*	S	Bend	trans	-84.4	63.4	-167.2	35	-36.6	0	0	0	112.2
747	A	39.3	Very low	38.6	Very low	91 Å²	91	149.3 Å²	149.3	75%	0.752	80%	0.798	S	S	*	*			trans	-137.2	11.8	-176.6	0	0	0	0	0	115.2	D745	D745-A747 VanDerWaalsContact C-N 3.27Å; D745-A747 PolarHBondContact O-N 3.07Å
748	A	37	Very low	40.3	Very low	101 Å²	101	145 Å²	145	84%	0.835	78%	0.777	S	S	*	*	S	Bend	trans	-126.4	27.2	-171	0	0	0	0	0	115.2
749	E	35.4	Very low	42.1	Very low	187 Å²	187	139.2 Å²	139.2	87%	0.874	76%	0.764	S	S	*	*			trans	-136.9	62	-178.4	-160	170.8	-133.2	0	0	112.7
750	Y	38.8	Very low	44.1	Very low	222 Å²	222	136.3 Å²	136.3	87%	0.871	75%	0.748	S	S	*	*			trans	-151.2	44.4	171.5	-127.3	-78.7	0	0	0	115.9
751	L	39.4	Very low	46.2	Very low	173 Å²	173	131.2 Å²	131.2	91%	0.906	73%	0.732	S	S	*	*			trans	-128.9	52.4	170.2	-80.6	177.2	0	0	0	113.5
752	Q	44.4	Very low	48.2	Very low	189 Å²	189	129.3 Å²	129.3	88%	0.883	72%	0.715	S	S	*	*			trans	-135.8	66.9	159.4	-77	-164.8	-13.4	0	0	111.5
753	H	45.4	Very low	50.4	Low	162 Å²	162	128.2 Å²	128.2	75%	0.75	70%	0.703	S	S	*	*	S	Bend	trans	-144	139.4	158.1	-113.6	58	0	0	0	111.3	N755	H753-N755 VanDerWaalsContact C-N 3.28Å; H753-N755 PolarHBondContact O-N 3.45Å
754	N	56.8	Low	52.7	Low	137 Å²	137	127 Å²	127	73%	0.733	69%	0.687	S	S	*	*			trans	-82.5	71.3	-169.7	-157.1	-9.2	0	0	0	110.8	S756	N754-S756 PolarHBondContact O-N 3.13Å; N754-S756 VanDerWaalsContact O-N 3.07Å; N754-S756 PolarHBondContact OD1-OG 3.32Å; N754-S756 VanDerWaalsContact OD1-OG 3.1Å
755	N	57.6	Low	55	Low	94 Å²	94	122.2 Å²	122.2	50%	0.503	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.2	-0.7	-170.9	-73.5	-17	0	0	0	115.1	H753 V757 A758 L759	H753-N755 VanDerWaalsContact C-N 3.28Å; H753-N755 PolarHBondContact O-N 3.45Å; N755-V757 VanDerWaalsContact C-N 3.26Å; N755-V757 PolarHBondContact O-N 3.06Å; N755-A758 PolarHBondContact O-N 3.06Å; N755-A758 VanDerWaalsContact O-N 3.08Å; N755-L759 HydrophobicContact CB-CD1 4.34Å; N755-L759 PolarHBondContact O-N 3.43Å
756	S	60.2	Low	57.3	Low	75 Å²	75	121.9 Å²	121.9	52%	0.524	66%	0.659	S	S	.	*	H	α-helix	trans	-51.7	-40.5	-178.2	-46.5	0	0	0	0	113.2	N754 L760	N754-S756 PolarHBondContact O-N 3.13Å; N754-S756 VanDerWaalsContact O-N 3.07Å; N754-S756 PolarHBondContact OD1-OG 3.32Å; N754-S756 VanDerWaalsContact OD1-OG 3.1Å; S756-L760 WeakPolarHBondContact O-CB 3.45Å; S756-L760 PolarHBondContact O-N 3.17Å
757	V	62.8	Low	59.3	Low	107 Å²	107	120.6 Å²	120.6	65%	0.648	64%	0.64	S	S	*	*	H	α-helix	trans	-73	-41.2	179.2	-178.2	0	0	0	0	111.6	N755 L760 S761	N755-V757 VanDerWaalsContact C-N 3.26Å; N755-V757 PolarHBondContact O-N 3.06Å; V757-L760 PolarHBondContact O-N 2.94Å; V757-S761 WeakPolarHBondContact O-CB 3.44Å; V757-S761 PolarHBondContact O-N 2.74Å; V757-S761 PolarHBondContact O-OG 3.17Å
758	A	62.9	Low	61.3	Low	53 Å²	53	121.3 Å²	121.3	44%	0.438	63%	0.631	S	S	.	*	H	α-helix	trans	-65.9	-40.8	178.2	0	0	0	0	0	111.7	N755 S761 L762	N755-A758 PolarHBondContact O-N 3.06Å; N755-A758 VanDerWaalsContact O-N 3.08Å; A758-S761 PolarHBondContact O-N 3.17Å; A758-L762 WeakPolarHBondContact O-CB 3.48Å; A758-L762 PolarHBondContact O-N 3.28Å
759	L	63.7	Low	63.5	Low	117 Å²	117	121.3 Å²	121.3	61%	0.613	62%	0.617	S	S	*	*	H	α-helix	trans	-64.4	-42.3	173.4	-75.1	164.1	0	0	0	111.8	N755 S761 L762 F763	N755-L759 HydrophobicContact CB-CD1 4.34Å; N755-L759 PolarHBondContact O-N 3.43Å; L759-S761 VanDerWaalsContact C-N 3.35Å; L759-S761 PolarHBondContact O-N 3.23Å; L759-L762 PolarHBondContact O-N 2.94Å; L759-F763 WeakPolarHBondContact O-CB 3.03Å; L759-F763 PolarHBondContact O-N 3.08Å
760	L	67.6	Low	65.5	Low	109 Å²	109	118.5 Å²	118.5	57%	0.571	60%	0.602	S	S	*	*	H	α-helix	trans	-64	-39.2	174.9	-160.1	81.9	0	0	0	111.9	S756 V757 F763 L764	S756-L760 WeakPolarHBondContact O-CB 3.45Å; S756-L760 PolarHBondContact O-N 3.17Å; V757-L760 PolarHBondContact O-N 2.94Å; L760-F763 PolarHBondContact O-N 3.02Å; L760-L764 HydrophobicContact CG-CD1 4.41Å; L760-L764 WeakPolarHBondContact O-CB 3.24Å; L760-L764 WeakPolarHBondContact O-CG 3.41Å; L760-L764 PolarHBondContact O-N 2.92Å
761	S	69.3	Low	67.1	Low	70 Å²	70	111.4 Å²	111.4	49%	0.49	58%	0.579	S	S	.	*	H	α-helix	trans	-66.7	-41.2	175.1	-62.5	0	0	0	0	112.6	V757 A758 L759 L764 L765	V757-S761 WeakPolarHBondContact O-CB 3.44Å; V757-S761 PolarHBondContact O-N 2.74Å; V757-S761 PolarHBondContact O-OG 3.17Å; A758-S761 PolarHBondContact O-N 3.17Å; L759-S761 VanDerWaalsContact C-N 3.35Å; L759-S761 PolarHBondContact O-N 3.23Å; S761-L764 PolarHBondContact O-N 3.3Å; S761-L765 WeakPolarHBondContact O-CB 3.5Å; S761-L765 PolarHBondContact O-N 2.91Å
762	L	72.9	Confident	68.8	Low	88 Å²	88	105.9 Å²	105.9	46%	0.461	56%	0.558	S	S	.	*	H	α-helix	trans	-63.8	-43.3	173.1	-100	150.4	0	0	0	111.7	A758 L759 L765 F766	A758-L762 WeakPolarHBondContact O-CB 3.48Å; A758-L762 PolarHBondContact O-N 3.28Å; L759-L762 PolarHBondContact O-N 2.94Å; L762-L765 PolarHBondContact O-N 2.9Å; L762-F766 HydrophobicContact CD2-CD2 4.16Å; L762-F766 HydrophobicContact CD2-CE2 3.65Å; L762-F766 VanDerWaalsContact O-CD2 3.26Å; L762-F766 WeakPolarHBondContact O-CD2 3.48Å; L762-F766 PolarHBondContact O-N 3.37Å
763	F	76.9	Confident	70.1	Confident	137 Å²	137	99 Å²	99	60%	0.601	53%	0.533	S	S	*	.	H	α-helix	trans	-61.5	-47.1	175.4	-178.7	-96.2	0	0	0	111.7	L759 L760 L765 F766 F767	L759-F763 WeakPolarHBondContact O-CB 3.03Å; L759-F763 PolarHBondContact O-N 3.08Å; L760-F763 PolarHBondContact O-N 3.02Å; F763-L765 VanDerWaalsContact C-N 3.34Å; F763-L765 PolarHBondContact O-N 2.87Å; F763-F766 PolarHBondContact O-N 2.9Å; F763-F767 VanDerWaalsContact O-CB 3.24Å; F763-F767 WeakPolarHBondContact O-CB 3.44Å; F763-F767 PolarHBondContact O-N 3.37Å
764	L	78.9	Confident	71.1	Confident	88 Å²	88	95 Å²	95	46%	0.461	52%	0.516	S	S	.	.	H	α-helix	trans	-61.2	-40.1	174.6	-82.2	162.7	0	0	0	112.4	L760 S761 F767 L768	L760-L764 HydrophobicContact CG-CD1 4.41Å; L760-L764 WeakPolarHBondContact O-CB 3.24Å; L760-L764 WeakPolarHBondContact O-CG 3.41Å; L760-L764 PolarHBondContact O-N 2.92Å; S761-L764 PolarHBondContact O-N 3.3Å; L764-F767 PolarHBondContact O-N 2.9Å; L764-L768 WeakPolarHBondContact O-CB 2.93Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.48Å; L764-L768 PolarHBondContact O-N 3.41Å
765	L	80.5	Confident	71.8	Confident	97 Å²	97	93.3 Å²	93.3	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-49.6	175.9	-176.8	71.2	0	0	0	111.3	S761 L762 F763 F767 L768 L769	S761-L765 WeakPolarHBondContact O-CB 3.5Å; S761-L765 PolarHBondContact O-N 2.91Å; L762-L765 PolarHBondContact O-N 2.9Å; F763-L765 VanDerWaalsContact C-N 3.34Å; F763-L765 PolarHBondContact O-N 2.87Å; L765-F767 PolarHBondContact O-N 3.49Å; L765-L768 PolarHBondContact O-N 2.9Å; L765-L769 HydrophobicContact CG-CD1 4.16Å; L765-L769 WeakPolarHBondContact O-CB 3.49Å; L765-L769 VanDerWaalsContact O-CG 3.3Å; L765-L769 WeakPolarHBondContact O-CG 3.36Å; L765-L769 PolarHBondContact O-N 3.48Å
766	F	78.1	Confident	72.7	Confident	134 Å²	134	95.2 Å²	95.2	59%	0.588	51%	0.511	S	S	*	.	H	α-helix	trans	-64.5	-38.1	177.2	-81.6	-62.8	0	0	0	112.5	L762 F763 L769 F770	L762-F766 HydrophobicContact CD2-CD2 4.16Å; L762-F766 HydrophobicContact CD2-CE2 3.65Å; L762-F766 VanDerWaalsContact O-CD2 3.26Å; L762-F766 WeakPolarHBondContact O-CD2 3.48Å; L762-F766 PolarHBondContact O-N 3.37Å; F763-F766 PolarHBondContact O-N 2.9Å; F766-L769 PolarHBondContact O-N 3.46Å; F766-F770 VanDerWaalsContact O-CB 3.31Å; F766-F770 WeakPolarHBondContact O-CB 3.26Å; F766-F770 PolarHBondContact O-N 2.85Å
767	F	78.4	Confident	73	Confident	101 Å²	101	94.3 Å²	94.3	44%	0.443	50%	0.5	S	S	.	.	H	α-helix	trans	-64.3	-42	175.3	-176.4	-105.4	0	0	0	112.1	F763 L764 L765 F770 L771	F763-F767 VanDerWaalsContact O-CB 3.24Å; F763-F767 WeakPolarHBondContact O-CB 3.44Å; F763-F767 PolarHBondContact O-N 3.37Å; L764-F767 PolarHBondContact O-N 2.9Å; L765-F767 PolarHBondContact O-N 3.49Å; F767-F770 PolarHBondContact O-N 3.18Å; F767-L771 HydrophobicContact CD1-CD1 3.87Å; F767-L771 HydrophobicContact CE1-CD1 3.45Å; F767-L771 VanDerWaalsContact CE1-CD1 3.45Å; F767-L771 HydrophobicContact CE1-CG 4.27Å; F767-L771 HydrophobicContact CZ-CD1 3.91Å; F767-L771 HydrophobicContact CZ-CG 4.37Å; F767-L771 WeakPolarHBondContact O-CB 3.37Å; F767-L771 WeakPolarHBondContact O-CG 3.19Å; F767-L771 PolarHBondContact O-N 3.37Å
768	L	81.3	Confident	73.2	Confident	107 Å²	107	89.8 Å²	89.8	56%	0.56	47%	0.474	S	S	*	.	H	α-helix	trans	-67.6	-39.3	174.7	-73.7	169.4	0	0	0	112.4	L764 L765 L771 A772	L764-L768 WeakPolarHBondContact O-CB 2.93Å; L764-L768 VanDerWaalsContact O-CG 3.25Å; L764-L768 WeakPolarHBondContact O-CG 3.48Å; L764-L768 PolarHBondContact O-N 3.41Å; L765-L768 PolarHBondContact O-N 2.9Å; L768-L771 PolarHBondContact O-N 3.45Å; L768-A772 WeakPolarHBondContact O-CB 3.46Å; L768-A772 PolarHBondContact O-N 3.35Å
769	L	82	Confident	73.5	Confident	100 Å²	100	94.6 Å²	94.6	52%	0.524	48%	0.481	S	S	.	.	H	α-helix	trans	-65.1	-39.7	173.7	-72.6	170.1	0	0	0	111.7	L765 F766 A772 A773	L765-L769 HydrophobicContact CG-CD1 4.16Å; L765-L769 WeakPolarHBondContact O-CB 3.49Å; L765-L769 VanDerWaalsContact O-CG 3.3Å; L765-L769 WeakPolarHBondContact O-CG 3.36Å; L765-L769 PolarHBondContact O-N 3.48Å; F766-L769 PolarHBondContact O-N 3.46Å; L769-A772 PolarHBondContact O-N 2.65Å; L769-A773 WeakPolarHBondContact O-CB 3.31Å; L769-A773 PolarHBondContact O-N 2.9Å
770	F	76.9	Confident	73.7	Confident	129 Å²	129	92.4 Å²	92.4	57%	0.566	47%	0.469	S	S	*	.	H	α-helix	trans	-64.3	-44.6	173.9	179	-97.5	0	0	0	111.8	F766 F767 A773 M774	F766-F770 VanDerWaalsContact O-CB 3.31Å; F766-F770 WeakPolarHBondContact O-CB 3.26Å; F766-F770 PolarHBondContact O-N 2.85Å; F767-F770 PolarHBondContact O-N 3.18Å; F770-A773 PolarHBondContact O-N 3.49Å; F770-M774 HydrophobicContact CD1-CG 4.32Å; F770-M774 HydrophobicContact CE1-CG 3.85Å; F770-M774 HydrophobicContact CZ-CG 3.96Å; F770-M774 WeakPolarHBondContact O-CB 3.33Å; F770-M774 PolarHBondContact O-N 3.26Å
771	L	73.3	Confident	73.3	Confident	73 Å²	73	93.8 Å²	93.8	38%	0.382	47%	0.472	S	S	.	.	H	α-helix	trans	-61.8	-42.3	173.6	-77.4	173.9	0	0	0	112	F767 L768 M774 V775	F767-L771 HydrophobicContact CD1-CD1 3.87Å; F767-L771 HydrophobicContact CE1-CD1 3.45Å; F767-L771 VanDerWaalsContact CE1-CD1 3.45Å; F767-L771 HydrophobicContact CE1-CG 4.27Å; F767-L771 HydrophobicContact CZ-CD1 3.91Å; F767-L771 HydrophobicContact CZ-CG 4.37Å; F767-L771 WeakPolarHBondContact O-CB 3.37Å; F767-L771 WeakPolarHBondContact O-CG 3.19Å; F767-L771 PolarHBondContact O-N 3.37Å; L768-L771 PolarHBondContact O-N 3.45Å; L771-M774 WeakPolarHBondContact O-CB 3.3Å; L771-M774 PolarHBondContact O-N 3.46Å; L771-V775 WeakPolarHBondContact O-CB 3.25Å; L771-V775 WeakPolarHBondContact O-CG2 3.43Å; L771-V775 PolarHBondContact O-N 2.83Å
772	A	75.1	Confident	73	Confident	57 Å²	57	98.5 Å²	98.5	47%	0.471	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-42.1	175.7	0	0	0	0	0	111.8	L768 L769 V775 Y776	L768-A772 WeakPolarHBondContact O-CB 3.46Å; L768-A772 PolarHBondContact O-N 3.35Å; L769-A772 PolarHBondContact O-N 2.65Å; A772-V775 PolarHBondContact O-N 3.37Å; A772-Y776 VanDerWaalsContact O-CB 3.25Å; A772-Y776 WeakPolarHBondContact O-CB 3.36Å; A772-Y776 PolarHBondContact O-N 2.91Å
773	A	70.8	Confident	72.3	Confident	44 Å²	44	96.8 Å²	96.8	36%	0.364	47%	0.472	S	S	.	.	H	α-helix	trans	-65.5	-41.4	174.7	0	0	0	0	0	112.2	L769 F770 Y776 N777	L769-A773 WeakPolarHBondContact O-CB 3.31Å; L769-A773 PolarHBondContact O-N 2.9Å; F770-A773 PolarHBondContact O-N 3.49Å; A773-Y776 PolarHBondContact O-N 2.84Å; A773-N777 VanDerWaalsContact O-CB 3.29Å; A773-N777 WeakPolarHBondContact O-CB 3.48Å; A773-N777 VanDerWaalsContact O-CG 3.3Å; A773-N777 PolarHBondContact O-N 3.07Å; A773-N777 PolarHBondContact O-ND2 2.82Å
774	M	67.3	Low	71.6	Confident	78 Å²	78	94.8 Å²	94.8	38%	0.384	47%	0.473	S	S	.	.	H	α-helix	trans	-58.6	-50.7	172.4	-90.3	-80.9	-77.4	0	0	111.5	F770 L771 Y776 N777 C778 L783	F770-M774 HydrophobicContact CD1-CG 4.32Å; F770-M774 HydrophobicContact CE1-CG 3.85Å; F770-M774 HydrophobicContact CZ-CG 3.96Å; F770-M774 WeakPolarHBondContact O-CB 3.33Å; F770-M774 PolarHBondContact O-N 3.26Å; L771-M774 WeakPolarHBondContact O-CB 3.3Å; L771-M774 PolarHBondContact O-N 3.46Å; M774-Y776 PolarHBondContact O-N 3.45Å; M774-N777 PolarHBondContact O-N 3.31Å; M774-C778 WeakPolarHBondContact O-CB 3.46Å; M774-C778 PolarHBondContact O-N 3.39Å; M774-L783 HydrophobicContact SD-CD1 3.62Å
775	V	71.9	Confident	70.5	Confident	101 Å²	101	93.8 Å²	93.8	61%	0.612	48%	0.477	S	S	*	.	H	α-helix	trans	-63	-41.8	178.2	171.2	0	0	0	0	111.3	L771 A772 C778 Y779	L771-V775 WeakPolarHBondContact O-CB 3.25Å; L771-V775 WeakPolarHBondContact O-CG2 3.43Å; L771-V775 PolarHBondContact O-N 2.83Å; A772-V775 PolarHBondContact O-N 3.37Å; V775-C778 PolarHBondContact O-N 3.4Å; V775-Y779 WeakPolarHBondContact O-CB 3.36Å; V775-Y779 PolarHBondContact O-N 3.42Å
776	Y	76.4	Confident	69.4	Low	134 Å²	134	93.9 Å²	93.9	53%	0.525	48%	0.484	S	S	.	.	H	α-helix	trans	-62.9	-50.8	176.5	178.8	-97.6	0	0	0	112.1	A772 A773 M774 C778 Y779 M780	A772-Y776 VanDerWaalsContact O-CB 3.25Å; A772-Y776 WeakPolarHBondContact O-CB 3.36Å; A772-Y776 PolarHBondContact O-N 2.91Å; A773-Y776 PolarHBondContact O-N 2.84Å; M774-Y776 PolarHBondContact O-N 3.45Å; Y776-C778 VanDerWaalsContact C-N 3.27Å; Y776-C778 PolarHBondContact O-N 3.38Å; Y776-Y779 WeakPolarHBondContact O-CB 3.39Å; Y776-Y779 PolarHBondContact O-N 2.89Å; Y776-M780 HydrophobicContact CD1-CG 4.3Å; Y776-M780 HydrophobicContact CD2-CG 4.34Å; Y776-M780 HydrophobicContact CE1-CG 3.94Å; Y776-M780 HydrophobicContact CE2-CG 3.98Å; Y776-M780 HydrophobicContact CG-CG 4.5Å; Y776-M780 WeakPolarHBondContact O-CB 3.35Å; Y776-M780 VanDerWaalsContact O-CG 3.29Å; Y776-M780 WeakPolarHBondContact O-CG 3.29Å; Y776-M780 PolarHBondContact O-N 3.46Å
777	N	66.9	Low	68.5	Low	56 Å²	56	88.8 Å²	88.8	30%	0.299	46%	0.464	S	S	.	.	H	α-helix	trans	-65.2	-32.2	178.7	-72.7	-38.2	0	0	0	112.1	A773 M774 M780 Q781 Y782 L783	A773-N777 VanDerWaalsContact O-CB 3.29Å; A773-N777 WeakPolarHBondContact O-CB 3.48Å; A773-N777 VanDerWaalsContact O-CG 3.3Å; A773-N777 PolarHBondContact O-N 3.07Å; A773-N777 PolarHBondContact O-ND2 2.82Å; M774-N777 PolarHBondContact O-N 3.31Å; N777-M780 CarbonylContact O-C 3.53Å; N777-M780 PolarHBondContact O-N 2.88Å; N777-Q781 PolarHBondContact O-N 3.42Å; N777-Y782 PolarHBondContact O-N 2.86Å; N777-L783 HydrophobicContact CB-CD1 3.59Å; N777-L783 HydrophobicContact CB-CG 3.92Å
778	C	65.6	Low	67.6	Low	13 Å²	13	87.4 Å²	87.4	9%	0.088	46%	0.461	C	S	.	.	H	α-helix	trans	-69.6	-38.8	173.5	-172.2	0	0	0	0	112.7	M774 V775 Y776 L783 C787	M774-C778 WeakPolarHBondContact O-CB 3.46Å; M774-C778 PolarHBondContact O-N 3.39Å; V775-C778 PolarHBondContact O-N 3.4Å; Y776-C778 VanDerWaalsContact C-N 3.27Å; Y776-C778 PolarHBondContact O-N 3.38Å; C778-L783 HydrophobicContact CB-CD1 4.45Å; C778-C787 HydrophobicContact CB-CB 4.06Å; C778-C787 WeakPolarHBondContact CB-SG 3.35Å; C778-C787 VanDerWaalsContact SG-C 3.55Å; C778-C787 WeakPolarHBondContact SG-CB 3.33Å; C778-C787 PolarHBondContact SG-O 2.87Å; C778-C787 VanDerWaalsContact SG-O 3.36Å; C778-C787 CovalentContact SG-SG 2.03Å; C778-C787 PolarHBondContact SG-SG 3.03Å
779	Y	69.5	Low	66.8	Low	153 Å²	153	91.8 Å²	91.8	60%	0.6	47%	0.47	S	S	*	.	H	α-helix	trans	-65.1	-42.9	172.2	-179.1	-92.9	0	0	0	111.5	V775 Y776 Q781 R791	V775-Y779 WeakPolarHBondContact O-CB 3.36Å; V775-Y779 PolarHBondContact O-N 3.42Å; Y776-Y779 WeakPolarHBondContact O-CB 3.39Å; Y776-Y779 PolarHBondContact O-N 2.89Å; Y779-Q781 VanDerWaalsContact C-N 3.3Å; Y779-Q781 PolarHBondContact O-N 3.48Å; Y779-R791 PolarHBondContact O-NH1 2.85Å
780	M	68.2	Low	65.6	Low	72 Å²	72	92 Å²	92	36%	0.355	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	4.7	179.8	-62.8	-62.8	-68.5	0	0	114.7	Y776 N777 Y782	Y776-M780 HydrophobicContact CD1-CG 4.3Å; Y776-M780 HydrophobicContact CD2-CG 4.34Å; Y776-M780 HydrophobicContact CE1-CG 3.94Å; Y776-M780 HydrophobicContact CE2-CG 3.98Å; Y776-M780 HydrophobicContact CG-CG 4.5Å; Y776-M780 WeakPolarHBondContact O-CB 3.35Å; Y776-M780 VanDerWaalsContact O-CG 3.29Å; Y776-M780 WeakPolarHBondContact O-CG 3.29Å; Y776-M780 PolarHBondContact O-N 3.46Å; N777-M780 CarbonylContact O-C 3.53Å; N777-M780 PolarHBondContact O-N 2.88Å; M780-Y782 HydrophobicContact CB-CD2 3.61Å; M780-Y782 HydrophobicContact CB-CE2 3.53Å; M780-Y782 HydrophobicContact CG-CE2 4.38Å; M780-Y782 PolarHBondContact O-N 2.88Å
781	Q	58.8	Low	64.8	Low	137 Å²	137	89.7 Å²	89.7	64%	0.64	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	21.9	176.6	-53.2	-177.4	-30.9	0	0	116.5	N777 Y779 L788	N777-Q781 PolarHBondContact O-N 3.42Å; Y779-Q781 VanDerWaalsContact C-N 3.3Å; Y779-Q781 PolarHBondContact O-N 3.48Å; Q781-L788 HydrophobicContact CG-CD2 4.25Å
782	Y	62.9	Low	64.1	Low	170 Å²	170	89.4 Å²	89.4	67%	0.667	47%	0.467	S	S	*	.			trans	-88.1	6.6	177.9	-58.7	-52	0	0	0	114.7	N777 M780	N777-Y782 PolarHBondContact O-N 2.86Å; M780-Y782 HydrophobicContact CB-CD2 3.61Å; M780-Y782 HydrophobicContact CB-CE2 3.53Å; M780-Y782 HydrophobicContact CG-CE2 4.38Å; M780-Y782 PolarHBondContact O-N 2.88Å
783	L	58.8	Low	63.6	Low	52 Å²	52	92 Å²	92	27%	0.272	48%	0.477	S	S	.	.	S	Bend	trans	-127.4	152.7	-176.7	-79.4	168.9	0	0	0	112.3	M774 N777 C778	M774-L783 HydrophobicContact SD-CD1 3.62Å; N777-L783 HydrophobicContact CB-CD1 3.59Å; N777-L783 HydrophobicContact CB-CG 3.92Å; C778-L783 HydrophobicContact CB-CD1 4.45Å
784	P	61.3	Low	62.9	Low	95 Å²	95	96.3 Å²	96.3	62%	0.617	49%	0.493	S	S	*	.			trans	-68.6	171.2	-169.7	25.8	-34.6	0	0	0	115.5	P786 C787	P784-P786 VanDerWaalsContact O-CD 3.27Å; P784-P786 WeakPolarHBondContact O-CD 3.07Å; P784-C787 PolarHBondContact O-N 2.85Å; P784-C787 VanDerWaalsContact O-N 3.08Å
785	A	55.9	Low	62.5	Low	67 Å²	67	98.5 Å²	98.5	55%	0.554	51%	0.506	S	S	*	.	H	α-helix	trans	-46	-35	-166.6	0	0	0	0	0	118.4	C787 L788 R789	A785-C787 PolarHBondContact O-N 3.42Å; A785-L788 PolarHBondContact O-N 3.45Å; A785-R789 PolarHBondContact O-N 2.88Å
786	P	57.9	Low	61	Low	99 Å²	99	96.2 Å²	96.2	64%	0.643	50%	0.503	S	S	*	.	H	α-helix	trans	-58.1	-35.1	177.4	-26.6	36.2	0	0	0	113.4	P784 R789 L790	P784-P786 VanDerWaalsContact O-CD 3.27Å; P784-P786 WeakPolarHBondContact O-CD 3.07Å; P786-R789 WeakPolarHBondContact O-CB 3.48Å; P786-R789 PolarHBondContact O-N 3.35Å; P786-L790 PolarHBondContact O-N 3.42Å
787	C	59.4	Low	59.4	Low	26 Å²	26	94.5 Å²	94.5	18%	0.176	51%	0.511	C	S	.	.	H	α-helix	trans	-74.9	-33.5	-176.5	-151.1	0	0	0	0	112.5	C778 P784 A785 R789 L790 R791	C778-C787 HydrophobicContact CB-CB 4.06Å; C778-C787 WeakPolarHBondContact CB-SG 3.35Å; C778-C787 VanDerWaalsContact SG-C 3.55Å; C778-C787 WeakPolarHBondContact SG-CB 3.33Å; C778-C787 PolarHBondContact SG-O 2.87Å; C778-C787 VanDerWaalsContact SG-O 3.36Å; C778-C787 CovalentContact SG-SG 2.03Å; C778-C787 PolarHBondContact SG-SG 3.03Å; P784-C787 PolarHBondContact O-N 2.85Å; P784-C787 VanDerWaalsContact O-N 3.08Å; A785-C787 PolarHBondContact O-N 3.42Å; C787-R789 VanDerWaalsContact C-N 3.27Å; C787-R789 PolarHBondContact O-N 2.88Å; C787-L790 WeakPolarHBondContact O-CB 3.39Å; C787-L790 PolarHBondContact O-N 3.06Å; C787-L790 VanDerWaalsContact O-N 3.17Å; C787-R791 PolarHBondContact O-N 3.31Å; C787-R791 VanDerWaalsContact O-N 3.13Å
788	L	58.9	Low	58	Low	72 Å²	72	100.1 Å²	100.1	38%	0.377	54%	0.541	S	S	.	.	H	α-helix	trans	-64.5	-30.9	173.2	-63.4	175.1	0	0	0	112.3	Q781 A785 A792	Q781-L788 HydrophobicContact CG-CD2 4.25Å; A785-L788 PolarHBondContact O-N 3.45Å; L788-A792 PolarHBondContact O-N 3.18Å
789	R	65.3	Low	56.6	Low	199 Å²	199	108.2 Å²	108.2	75%	0.751	58%	0.575	S	S	*	*	H	α-helix	trans	-65.4	-42.2	171.8	-69.7	-175.8	174.2	-179.2	-0.8	111.9	A785 P786 C787 R791 A792 T793	A785-R789 PolarHBondContact O-N 2.88Å; P786-R789 WeakPolarHBondContact O-CB 3.48Å; P786-R789 PolarHBondContact O-N 3.35Å; C787-R789 VanDerWaalsContact C-N 3.27Å; C787-R789 PolarHBondContact O-N 2.88Å; R789-R791 VanDerWaalsContact C-N 3.33Å; R789-R791 PolarHBondContact O-N 3.15Å; R789-A792 WeakPolarHBondContact O-CB 3.25Å; R789-A792 PolarHBondContact O-N 3.36Å; R789-A792 VanDerWaalsContact O-N 3.17Å; R789-T793 PolarHBondContact O-N 3.43Å; R789-T793 PolarHBondContact O-OG1 3.49Å
790	L	57.3	Low	54.7	Low	106 Å²	106	106.6 Å²	106.6	56%	0.555	58%	0.584	S	S	*	*	H	α-helix	trans	-63.2	-39.5	177.9	-157.5	81.8	0	0	0	111.9	P786 C787 T793 L794	P786-L790 PolarHBondContact O-N 3.42Å; C787-L790 WeakPolarHBondContact O-CB 3.39Å; C787-L790 PolarHBondContact O-N 3.06Å; C787-L790 VanDerWaalsContact O-N 3.17Å; L790-T793 WeakPolarHBondContact CA-OG1 3.29Å; L790-T793 PolarHBondContact O-N 3.28Å; L790-T793 PolarHBondContact O-OG1 3.09Å; L790-L794 HydrophobicContact CD2-CD1 4.44Å; L790-L794 HydrophobicContact CG-CD1 4.32Å; L790-L794 WeakPolarHBondContact O-CG 3.46Å; L790-L794 PolarHBondContact O-N 3.48Å
791	R	58.4	Low	52.8	Low	79 Å²	79	108.5 Å²	108.5	30%	0.298	60%	0.6	S	S	.	*	H	α-helix	trans	-61.5	-43.1	172.3	178.7	177.9	173.3	175.9	-0.3	112.1	Y779 C787 R789 T793 L794 L795	Y779-R791 PolarHBondContact O-NH1 2.85Å; C787-R791 PolarHBondContact O-N 3.31Å; C787-R791 VanDerWaalsContact O-N 3.13Å; R789-R791 VanDerWaalsContact C-N 3.33Å; R789-R791 PolarHBondContact O-N 3.15Å; R791-T793 VanDerWaalsContact C-N 3.3Å; R791-T793 PolarHBondContact O-N 3.32Å; R791-L794 PolarHBondContact O-N 3.07Å; R791-L795 HydrophobicContact CG-CD1 3.6Å; R791-L795 HydrophobicContact CG-CG 4.38Å; R791-L795 PolarHBondContact O-N 3.34Å
792	A	60.1	Low	51.4	Low	68 Å²	68	110.8 Å²	110.8	56%	0.562	61%	0.61	S	S	*	*	H	α-helix	trans	-64.4	-32.9	177.7	0	0	0	0	0	112.7	L788 R789	L788-A792 PolarHBondContact O-N 3.18Å; R789-A792 WeakPolarHBondContact O-CB 3.25Å; R789-A792 PolarHBondContact O-N 3.36Å; R789-A792 VanDerWaalsContact O-N 3.17Å
793	T	63.5	Low	49.9	Very low	110 Å²	110	110.9 Å²	110.9	68%	0.675	62%	0.617	S	S	*	*	H	α-helix	trans	-74.7	-29.6	173.1	45.8	0	0	0	0	113.9	R789 L790 R791	R789-T793 PolarHBondContact O-N 3.43Å; R789-T793 PolarHBondContact O-OG1 3.49Å; L790-T793 WeakPolarHBondContact CA-OG1 3.29Å; L790-T793 PolarHBondContact O-N 3.28Å; L790-T793 PolarHBondContact O-OG1 3.09Å; R791-T793 VanDerWaalsContact C-N 3.3Å; R791-T793 PolarHBondContact O-N 3.32Å
794	L	55.7	Low	48.8	Very low	136 Å²	136	113.1 Å²	113.1	71%	0.712	64%	0.635	S	S	*	*	H	α-helix	trans	-85.8	-30.6	-177.3	-79.1	165.8	0	0	0	114.5	L790 R791	L790-L794 HydrophobicContact CD2-CD1 4.44Å; L790-L794 HydrophobicContact CG-CD1 4.32Å; L790-L794 WeakPolarHBondContact O-CG 3.46Å; L790-L794 PolarHBondContact O-N 3.48Å; R791-L794 PolarHBondContact O-N 3.07Å
795	L	60.1	Low	47.4	Very low	123 Å²	123	117.7 Å²	117.7	64%	0.644	65%	0.647	S	S	*	*	H	α-helix	trans	-94.6	-5.3	-174.5	-69.7	173.9	0	0	0	115	R791	R791-L795 HydrophobicContact CG-CD1 3.6Å; R791-L795 HydrophobicContact CG-CG 4.38Å; R791-L795 PolarHBondContact O-N 3.34Å
796	G	40.1	Very low	46	Very low	54 Å²	54	124.6 Å²	124.6	56%	0.557	66%	0.661	S	S	*	*			trans	76.1	137.1	-179.9	0	0	0	0	0	113.7	N798	G796-N798 PolarHBondContact O-N 3.08Å
797	S	42.8	Very low	44.6	Very low	98 Å²	98	130.9 Å²	130.9	69%	0.685	67%	0.672	S	S	*	*			trans	-83.9	102.1	-177.1	66.4	0	0	0	0	112.4	K799	S797-K799 PolarHBondContact O-N 2.88Å; S797-K799 VanDerWaalsContact O-N 3.17Å
798	N	37.7	Very low	43.3	Very low	174 Å²	174	134.3 Å²	134.3	93%	0.93	70%	0.702	S	S	*	*			trans	-77.3	93.9	156.1	-80	-15.2	0	0	0	108.8	G796	G796-N798 PolarHBondContact O-N 3.08Å
799	K	36.5	Very low	41.7	Very low	183 Å²	183	136.4 Å²	136.4	80%	0.796	72%	0.721	S	S	*	*			trans	-76.7	133.7	176.6	-95	-178.6	172	178	0	111.8	S797	S797-K799 PolarHBondContact O-N 2.88Å; S797-K799 VanDerWaalsContact O-N 3.17Å
800	C	28.5	Very low	39.9	Very low	119 Å²	119	135.8 Å²	135.8	80%	0.804	73%	0.727	S	S	*	*			trans	177.2	135.7	141.3	-98.3	0	0	0	0	108.8
801	T	28.8	Very low	38.7	Very low	111 Å²	111	136.1 Å²	136.1	68%	0.681	75%	0.745	S	S	*	*			cis	-170.7	132.6	-23.1	3.4	0	0	0	0	107.4
802	H	29.6	Very low	37.1	Very low	185 Å²	185	135.6 Å²	135.6	86%	0.856	76%	0.764	S	S	*	*			trans	61.3	148.4	179.3	-70.9	-104.7	0	0	0	115.4
803	Q	31.5	Very low	35.4	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.804	78%	0.781	S	S	*	*			cis	-141.3	-153.3	15.6	-147.6	-169.6	-22.2	0	0	110.7
804	P	35.6	Very low	33.7	Very low	100 Å²	100	143.2 Å²	143.2	65%	0.649	79%	0.787	S	S	*	*			trans	-106.4	-177.5	-134	40.2	-22.9	0	0	0	116.5
805	E	31.2	Very low	32.4	Very low	190 Å²	190	145 Å²	145	89%	0.888	79%	0.792	S	S	*	*			trans	-25.1	134.9	174.6	-58.6	174.3	146.1	0	0	117.9
806	Y	26.5	Very low	30.7	Very low	213 Å²	213	144.3 Å²	144.3	84%	0.835	80%	0.804	S	S	*	*			trans	-100.6	120.5	165.7	-124.5	-93.6	0	0	0	110.7
807	R	28.9	Very low	30.1	Very low	231 Å²	231	147.8 Å²	147.8	87%	0.872	82%	0.819	S	S	*	*			trans	-80.5	167.5	164	-87.9	-177.6	172.6	165.4	-2.8	110.7
808	A	32.4	Very low	29.4	Very low	97 Å²	97	148.1 Å²	148.1	80%	0.802	83%	0.828	S	S	*	*			trans	-28.6	143.3	173.1	0	0	0	0	0	117.3
809	C	26.6	Very low	28.9	Very low	117 Å²	117	144.6 Å²	144.6	79%	0.791	82%	0.823	S	S	*	*			trans	-109.4	89.1	161.4	-72	0	0	0	0	110
810	E	27.4	Very low	28.5	Very low	186 Å²	186	143 Å²	143	87%	0.869	82%	0.819	S	S	*	*			trans	-93.7	151.2	146.7	-80.4	-171.9	128.8	0	0	109.2
811	A	31.6	Very low	28.4	Very low	112 Å²	112	145.5 Å²	145.5	93%	0.926	82%	0.816	S	S	*	*			trans	68.7	128.1	162	0	0	0	0	0	120.7
812	G	24.6	Very low	28.3	Very low	69 Å²	69	147.3 Å²	147.3	71%	0.711	82%	0.82	S	S	*	*			trans	-167.4	135.7	152.5	0	0	0	0	0	107.9
813	L	25	Very low	28.1	Very low	176 Å²	176	145.3 Å²	145.3	92%	0.921	82%	0.815	S	S	*	*			cis	-127.9	154.9	3.9	-80.8	75.5	0	0	0	110.7
814	M	26.8	Very low	27.8	Very low	161 Å²	161	144.7 Å²	144.7	79%	0.793	82%	0.815	S	S	*	*			trans	-114.4	142.7	155.1	-93.5	-63.7	-145.1	0	0	110.5
815	E	27.6	Very low	27.3	Very low	174 Å²	174	145.1 Å²	145.1	81%	0.813	82%	0.815	S	S	*	*			trans	22.9	128.9	151.1	-63.7	177.2	142.8	0	0	121.1
816	A	26.4	Very low	27	Very low	109 Å²	109	144.9 Å²	144.9	90%	0.901	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-96.4	126.2	156.8	0	0	0	0	0	109.9
817	S	26.2	Very low	26.9	Very low	126 Å²	126	143.4 Å²	143.4	88%	0.881	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-94.3	157	176	57.5	0	0	0	0	112.3
818	A	28.8	Very low	27.6	Very low	105 Å²	105	138 Å²	138	87%	0.868	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-103.4	141.8	-164.1	0	0	0	0	0	115.6
819	A	27.2	Very low	27.3	Very low	100 Å²	100	137.9 Å²	137.9	83%	0.826	81%	0.809	S	S	*	*			trans	-177	146.1	146	0	0	0	0	0	107
820	E	27	Very low	27.2	Very low	151 Å²	151	140.5 Å²	140.5	71%	0.706	81%	0.809	S	S	*	*			cis	-155.7	146.3	26.3	-171.3	168.1	-162	0	0	112.1
821	K	26.6	Very low	27.1	Very low	170 Å²	170	138.7 Å²	138.7	74%	0.739	81%	0.806	S	S	*	*			trans	18.2	142.7	157.8	-55.5	163.8	-169	142.8	0	120.1
822	I	26.7	Very low	26.8	Very low	150 Å²	150	137.1 Å²	137.1	77%	0.769	80%	0.8	S	S	*	*				-159.1	146.5	62	-76.4	167.5	0	0	0	112.3
823	N	25	Very low	26.8	Very low	142 Å²	142	139.5 Å²	139.5	76%	0.759	81%	0.806	S	S	*	*			trans	-2	143.9	160.6	-47	-15.7	0	0	0	120.3
824	M	26	Very low	26.9	Very low	160 Å²	160	139.2 Å²	139.2	79%	0.788	80%	0.8	S	S	*	*				-172.5	139.3	66.2	-95.3	-165.3	67.6	0	0	115
825	T	24.8	Very low	27.3	Very low	108 Å²	108	137.5 Å²	137.5	66%	0.663	80%	0.801	S	S	*	*			trans	57.8	144	147.2	35.1	0	0	0	0	126.3
826	E	25.9	Very low	27.3	Very low	185 Å²	185	134.8 Å²	134.8	86%	0.864	80%	0.797	S	S	*	*			trans	91.4	110.3	147	-77.9	170	-168.4	0	0	123.1
827	Q	22.7	Very low	27.3	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	79%	0.793	S	S	*	*			trans	-90.7	177.7	141.8	-80.1	-175.6	-14.5	0	0	108.9
828	P	44.8	Very low	27.4	Very low	118 Å²	118	139.3 Å²	139.3	77%	0.766	79%	0.787	S	S	*	*			cis	-131	180	-19.3	29.4	-8.8	0	0	0	113.3
829	A	25.4	Very low	27.3	Very low	94 Å²	94	143.2 Å²	143.2	78%	0.777	79%	0.792	S	S	*	*			trans	164.3	128.6	130.1	0	0	0	0	0	116.8
830	Q	25.6	Very low	27.2	Very low	171 Å²	171	147.1 Å²	147.1	80%	0.799	79%	0.793	S	S	*	*			trans	34	147.1	135.4	-76.6	-175.4	-15.7	0	0	126.6
831	N	25.3	Very low	27.1	Very low	148 Å²	148	144 Å²	144	79%	0.791	79%	0.794	S	S	*	*			trans	70.2	112.5	152.5	-60.4	-15.7	0	0	0	117.9
832	G	24	Very low	27.1	Very low	79 Å²	79	144.2 Å²	144.2	81%	0.814	80%	0.802	S	S	*	*				108.8	152.7	90.4	0	0	0	0	0	108.5
833	S	24.7	Very low	27.2	Very low	119 Å²	119	148 Å²	148	83%	0.832	81%	0.806	S	S	*	*			cis	-158.1	163.1	5.8	50	0	0	0	0	109.8
834	Q	27.4	Very low	27.1	Very low	170 Å²	170	149.1 Å²	149.1	79%	0.794	81%	0.812	S	S	*	*			trans	-60.7	154.4	164	-98.5	178.9	-9	0	0	111.2
835	P	35.3	Very low	27.2	Very low	125 Å²	125	146.2 Å²	146.2	81%	0.812	80%	0.804	S	S	*	*				-143.7	157.3	79.8	36.8	-18.6	0	0	0	117.7
836	T	27.2	Very low	27.3	Very low	118 Å²	118	144.7 Å²	144.7	72%	0.724	81%	0.809	S	S	*	*			trans	-62.1	144.3	169.3	47	0	0	0	0	114.6
837	K	27.1	Very low	27.3	Very low	190 Å²	190	146.3 Å²	146.3	83%	0.826	81%	0.809	S	S	*	*			trans	-161.9	116.9	135.4	-115.2	172.7	-174.7	179.4	0	114
838	N	27.3	Very low	27.6	Very low	140 Å²	140	146.3 Å²	146.3	75%	0.749	81%	0.809	S	S	*	*			trans	35.8	118.9	144.8	-54.7	2.4	0	0	0	120.8
839	L	27.5	Very low	26.9	Very low	186 Å²	186	146.9 Å²	146.9	97%	0.974	81%	0.811	S	S	*	*				-135.7	142.4	119.7	-124.8	105.6	0	0	0	109.4
840	Q	25.7	Very low	27.2	Very low	182 Å²	182	149 Å²	149	85%	0.85	81%	0.805	S	S	*	*			trans	-134.3	158.2	-173.9	-177.4	174.4	-1.5	0	0	109.2
841	A	25.4	Very low	27.5	Very low	87 Å²	87	146 Å²	146	72%	0.719	80%	0.8	S	S	*	*			trans	86.8	142.6	-174.6	0	0	0	0	0	114.5
842	L	25.8	Very low	27.6	Very low	174 Å²	174	148.2 Å²	148.2	91%	0.911	81%	0.806	S	S	*	*			cis	-109.5	147.5	2	-88.5	77.9	0	0	0	112.6
843	R	27.7	Very low	27.7	Very low	229 Å²	229	150.6 Å²	150.6	86%	0.864	81%	0.808	S	S	*	*			trans	-92.7	141.4	151.1	-82.4	-178.1	171.3	170.8	-4.4	107.6	T845	R843-T845 HydrophobicContact CB-CG2 4.46Å
844	D	24.1	Very low	27.9	Very low	165 Å²	165	148.2 Å²	148.2	88%	0.882	80%	0.803	S	S	*	*			trans	-111.6	139.3	154	-162.1	-5	0	0	0	107.5
845	T	27.8	Very low	28	Very low	99 Å²	99	148.3 Å²	148.3	61%	0.607	81%	0.809	S	S	*	*			trans	-130.4	89.6	-171.5	50.4	0	0	0	0	110.1	R843	R843-T845 HydrophobicContact CB-CG2 4.46Å
846	G	26.4	Very low	27.7	Very low	76 Å²	76	146 Å²	146	78%	0.784	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-79	133.2	162.7	0	0	0	0	0	110.3
847	Y	26.6	Very low	27.7	Very low	219 Å²	219	152.2 Å²	152.2	86%	0.859	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-77	129.4	-176.9	-80	-105.3	0	0	0	112
848	E	29.4	Very low	27.7	Very low	184 Å²	184	151.2 Å²	151.2	86%	0.86	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-95.8	128.8	160.5	-67.8	-176.7	158.7	0	0	109.5
849	T	30.3	Very low	28	Very low	130 Å²	130	150.1 Å²	150.1	80%	0.798	82%	0.821	S	S	*	*			trans	-140.9	96.4	160.9	40.8	0	0	0	0	110
850	E	31.6	Very low	28	Very low	138 Å²	138	146.6 Å²	146.6	65%	0.645	81%	0.812	S	S	*	*			trans	-80.7	130.6	166	-74.9	-100	-157.9	0	0	109.1	R217 E852	R217-E850 IonicContact NH2-OE1 3.95Å; E850-E852 PolarHBondContact O-N 2.91Å
851	P	30.9	Very low	28.2	Very low	108 Å²	108	147 Å²	147	70%	0.701	81%	0.813	S	S	*	*			trans	-84.7	110.7	174.5	31.4	-31	0	0	0	111.4	C853	P851-C853 PolarHBondContact O-N 3.38Å; P851-C853 VanDerWaalsContact O-N 3.17Å
852	E	27.3	Very low	28.4	Very low	195 Å²	195	149.7 Å²	149.7	91%	0.911	82%	0.816	S	S	*	*			trans	-67.4	110.3	172.1	-66.5	-166.2	143.5	0	0	111.5	E850 G854	E850-E852 PolarHBondContact O-N 2.91Å; E852-G854 PolarHBondContact O-N 2.73Å
853	C	27.1	Very low	28.7	Very low	128 Å²	128	151.7 Å²	151.7	87%	0.865	82%	0.817	S	S	*	*			trans	-94.7	85.2	168.3	-76.7	0	0	0	0	111.1	P851	P851-C853 PolarHBondContact O-N 3.38Å; P851-C853 VanDerWaalsContact O-N 3.17Å
854	G	27.6	Very low	28.7	Very low	70 Å²	70	144.7 Å²	144.7	72%	0.722	82%	0.817	S	S	*	*			trans	-98	103.5	169.4	0	0	0	0	0	112	E852	E852-G854 PolarHBondContact O-N 2.73Å
855	N	29.3	Very low	28.9	Very low	172 Å²	172	140.7 Å²	140.7	92%	0.92	81%	0.814	S	S	*	*			trans	-118.9	69.1	172.6	-100.9	-29	0	0	0	111.4
856	G	28.9	Very low	29	Very low	76 Å²	76	143.9 Å²	143.9	78%	0.784	83%	0.827	S	S	*	*			trans	-107	96.6	170.7	0	0	0	0	0	111.3
857	R	28	Very low	29.2	Very low	249 Å²	249	146.4 Å²	146.4	94%	0.94	83%	0.833	S	S	*	*			trans	-75.5	122.4	168.7	-81.5	-177.1	172.5	-178	-1.9	110.1
858	L	27.6	Very low	29.3	Very low	168 Å²	168	141.5 Å²	141.5	88%	0.88	83%	0.831	S	S	*	*			trans	-136.4	150.6	156	-92.6	133.2	0	0	0	109.2
859	P	33.3	Very low	29.4	Very low	117 Å²	117	138.6 Å²	138.6	76%	0.76	83%	0.831	S	S	*	*			trans	-84	156.2	-159.7	33.2	-35.5	0	0	0	114.1
860	S	27.9	Very low	29.4	Very low	112 Å²	112	141.4 Å²	141.4	78%	0.783	84%	0.835	S	S	*	*			trans	-70.1	137.5	-179.9	46.2	0	0	0	0	113.6
861	H	29.4	Very low	29.4	Very low	191 Å²	191	144.4 Å²	144.4	88%	0.884	85%	0.849	S	S	*	*			trans	-108.6	124.2	157.5	-104.5	-82	0	0	0	109.4
862	N	30	Very low	29.5	Very low	144 Å²	144	146.5 Å²	146.5	77%	0.77	85%	0.847	S	S	*	*			trans	-67.6	134.1	174.7	-73.7	-21.6	0	0	0	111.3
863	F	30.9	Very low	30.3	Very low	215 Å²	215	142 Å²	142	94%	0.943	84%	0.835	S	S	*	*			trans	-149.2	131.2	138.1	-97.5	-74.3	0	0	0	109
864	G	27.7	Very low	30.3	Very low	83 Å²	83	144.8 Å²	144.8	86%	0.856	83%	0.833	S	S	*	*			trans	-96.9	164.9	-179.4	0	0	0	0	0	112.9
865	G	28.3	Very low	30.4	Very low	80 Å²	80	147.3 Å²	147.3	83%	0.825	83%	0.83	S	S	*	*			trans	-179.1	110.8	173.2	0	0	0	0	0	111.1
866	D	30	Very low	30.5	Very low	166 Å²	166	145.4 Å²	145.4	89%	0.888	82%	0.824	S	S	*	*			trans	-67.1	144.5	178.3	-67.9	-58.8	0	0	0	112.7
867	S	30.6	Very low	30.4	Very low	129 Å²	129	148.7 Å²	148.7	90%	0.902	82%	0.823	S	S	*	*				-174.4	157.2	126.8	35.9	0	0	0	0	112.1
868	S	29.9	Very low	30.4	Very low	116 Å²	116	142.8 Å²	142.8	81%	0.811	82%	0.819	S	S	*	*			trans	-111.5	142.6	-160.6	55.8	0	0	0	0	114.4
869	S	30.5	Very low	30.6	Very low	123 Å²	123	141.6 Å²	141.6	86%	0.86	81%	0.813	S	S	*	*			trans	-159.7	142.3	138.9	50.9	0	0	0	0	111.3
870	Q	30.8	Very low	30.6	Very low	190 Å²	190	141.3 Å²	141.3	89%	0.888	82%	0.815	S	S	*	*			trans	-89.6	145.6	179.1	-61.5	165.5	-60.5	0	0	110.3
871	E	31.4	Very low	30.7	Very low	201 Å²	201	145.2 Å²	145.2	94%	0.939	82%	0.82	S	S	*	*				-164.7	129.9	125.5	-108.7	168.8	-168.4	0	0	110.7
872	K	33.4	Very low	30.6	Very low	151 Å²	151	141.1 Å²	141.1	66%	0.657	81%	0.813	S	S	*	*			trans	-106	151.9	173	-113.7	-166.3	174.1	-158	0	106.9	D875	K872-D875 IonicContact NZ-OD1 2.73Å; K872-D875 PolarHBondContact NZ-OD1 2.69Å; K872-D875 IonicContact NZ-OD2 2.69Å; K872-D875 PolarHBondContact NZ-OD2 3.43Å
873	P	42.6	Very low	30.6	Very low	102 Å²	102	142 Å²	142	66%	0.662	82%	0.817	S	S	*	*				-151.8	173.7	89	35.2	-14.6	0	0	0	117
874	F	28.6	Very low	30.5	Very low	185 Å²	185	140.1 Å²	140.1	81%	0.811	81%	0.81	S	S	*	*			trans	78.9	83.2	171.7	-58.3	-69.8	0	0	0	117.5
875	D	29.1	Very low	30.5	Very low	124 Å²	124	145.7 Å²	145.7	66%	0.663	81%	0.812	S	S	*	*			trans	-65.2	140.7	153.1	-52.8	-79.3	0	0	0	110	K872	K872-D875 IonicContact NZ-OD1 2.73Å; K872-D875 PolarHBondContact NZ-OD1 2.69Å; K872-D875 IonicContact NZ-OD2 2.69Å; K872-D875 PolarHBondContact NZ-OD2 3.43Å
876	V	30.6	Very low	30.5	Very low	131 Å²	131	146.8 Å²	146.8	79%	0.794	81%	0.812	S	S	*	*			trans	-122.2	122.1	164.9	175.7	0	0	0	0	107.7
877	D	28.6	Very low	30.6	Very low	145 Å²	145	146.3 Å²	146.3	78%	0.775	81%	0.81	S	S	*	*			trans	-66.2	141.9	-176.5	-133.5	-25.1	0	0	0	111.5
878	C	28	Very low	30.7	Very low	126 Å²	126	144 Å²	144	85%	0.851	80%	0.799	S	S	*	*			trans	-121.6	64	-178.6	-79.8	0	0	0	0	110.3
879	D	30.7	Very low	31	Very low	142 Å²	142	145.6 Å²	145.6	76%	0.759	80%	0.799	S	S	*	*			trans	-106.6	140.2	172.8	-106.8	-21.4	0	0	0	112.6
880	S	34.6	Very low	30.9	Very low	112 Å²	112	147.6 Å²	147.6	78%	0.783	80%	0.8	S	S	*	*			trans	-50.8	137.1	-169.1	55.2	0	0	0	0	116.2
881	Q	28.2	Very low	31.4	Very low	193 Å²	193	142.3 Å²	142.3	90%	0.902	79%	0.788	S	S	*	*			trans	-128.4	133.9	152	-71.3	-164.5	-6.4	0	0	111.8
882	S	28.6	Very low	31.7	Very low	106 Å²	106	147.2 Å²	147.2	74%	0.741	80%	0.8	S	S	*	*			trans	-81.1	127.9	-178.4	52.5	0	0	0	0	111.8	Q884	S882-Q884 PolarHBondContact O-N 3.34Å
883	I	29.3	Very low	31.7	Very low	163 Å²	163	147.1 Å²	147.1	84%	0.836	81%	0.807	S	S	*	*			trans	-76.7	115.9	171.9	-61.5	173	0	0	0	108.9
884	Q	28.2	Very low	31.1	Very low	174 Å²	174	149.4 Å²	149.4	81%	0.813	82%	0.815	S	S	*	*			trans	-84.7	141.4	169.6	-74.6	-177.7	-24.6	0	0	110.5	S882	S882-Q884 PolarHBondContact O-N 3.34Å
885	F	29	Very low	31.2	Very low	201 Å²	201	147.4 Å²	147.4	88%	0.882	82%	0.815	S	S	*	*			trans	-75.4	147.1	168.8	-71.2	-98.4	0	0	0	109.9
886	A	27.8	Very low	31.3	Very low	102 Å²	102	148.8 Å²	148.8	84%	0.843	82%	0.824	S	S	*	*			trans	-112.6	114.7	170.7	0	0	0	0	0	109.1
887	D	31.3	Very low	31.4	Very low	156 Å²	156	149.9 Å²	149.9	83%	0.834	83%	0.826	S	S	*	*			trans	-108.4	133.6	170	-84.4	-37.1	0	0	0	110.1
888	A	33.1	Very low	31.6	Very low	82 Å²	82	150.3 Å²	150.3	68%	0.678	83%	0.829	S	S	*	*			trans	64.6	142.3	142.1	0	0	0	0	0	123.3
889	D	37.6	Very low	31.8	Very low	149 Å²	149	152 Å²	152	80%	0.797	83%	0.828	S	S	*	*			trans	70.5	120.9	152.5	-53.1	-21.9	0	0	0	120.6
890	D	28.6	Very low	31.9	Very low	165 Å²	165	152.8 Å²	152.8	88%	0.882	83%	0.833	S	S	*	*				-166.3	170.1	89.9	-128.7	-31.1	0	0	0	114.9
891	A	40.9	Very low	31.7	Very low	78 Å²	78	156.2 Å²	156.2	65%	0.645	84%	0.837	S	S	*	*			trans	-67.1	147.5	-162.2	0	0	0	0	0	119.9
892	Y	38.1	Very low	32	Very low	305 Å²	305	152.8 Å²	152.8	100%	1.196	83%	0.832	S	S	*	*				-167.1	0	109.5	-115	-74	0	0	0	113.6

Retrieved 892 of 892 residues in 587.5 ms (Link to these results)

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