A0A077Z7F7_TRITR Loading...

Protein ADT 2, c

AlphaFold DB , UniProt , Accession A0A077Z7F7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,056 aa.

						>A0A077Z7F7_TRITR|A0A077Z7F7
MFIPDVLVIHRYHNYTPVEIGPKRTNCVHYAVKEADIHGIFSLCGQQWRGTLKVDDDLYTLQPLPEGLATLDDILTKRRNLVGEPKRHVLYKRSPFMTDSPSFCGVDTSYERTMMDDPTKIRKMPIGVGGPQSPVVMHSEKLTMEIAIFVDNELWLKYSRKYGAAADEKLTDFMNTVIHHVQILYQDQSISPQLEFSVVRFEVFKTQPKALKGPKHGHGNALSYLNAFCKYQYYLSTRRRWDFALLFSGYKKNWMSIYPTTRRICRYDIHRPPSDRTISGIARLYGVCDPLNSCLLAEGTDFSSVYITTHEIGHGLGMLHDEPYCASNYIMSGSLGAGKVHWSKCSNRSFQTYLKKLNYYRRNCLISAQFPVGPINTTLLPGQKYSADEQCQMVHGSDYNRVKTSERSTEGICHMLWCGQNNWGRIITSHPALEGTTCAAGKYCRGGKCIPDRSKNPPKVVNGAWSSWKRVSCSACSCPPIISSIGVLKSERTCTNPAPENGGADCSGSSHRAIVCNRNCGLRPHIAEVVSAKLYTSRICAGHRQRLKDATINGIGVQLTRFSSRACKVFCEINVTNADSINFRFFGDWMPDGSPCGDNHYCINGKCLPLDCRDSALVFNPSDCPTESESCQLEPKRPIGRIPALSNSIIDNSGDRETLSDEDKSRQHGEMLDRVTDLPSNDILPSWSPWSAWSDCSASCGDGIKTRGRTCWRDHCDGDAIDRDSCRLQPCVEARSIDFKDPLWSSWTEWTPCSTTCGTGARARYRKCIIGNCPGSYNEVQQCEMPACGHWTSWSAWSDCSATCGVGVRRRSRLCDGSRCPGDQEQTFMCHERACDLSGEWYSWSAWSPCTVTCGMGERQRSRICKGTKCNGIATMSEQCKQAECAAWAPWEQWSACSRSAGMRFRSRQCHGLGKCVGHNSDSEHCMIFVNSNGWTEWSAWSDCSRTCGVGLRRRYRTCLGTREMCPGDFKAFETCQMRDCPQTGPFQHIKPLIIGNGHPQSAANEYSWSQWSHCIGHCGTGIRKRIRLCRGPNCPANVLSESQYCQLLPCGGPGR
					

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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	M	23.9	Very low	28	Very low	198 Å²	198	126.5 Å²	126.5	98%	0.975	63%	0.633	S	S	*	*				0	114.9	0	-80.9	178.3	-58.1	0	0	107	I3	M1-I3 HydrophobicContact CB-CG1 4.48Å; M1-I3 PolarHBondContact O-N 3.42Å
2	F	26.6	Very low	27.9	Very low	98 Å²	98	130 Å²	130	43%	0.43	64%	0.636	S	S	.	*			trans	-76.3	110.8	159	-88.5	-100.4	0	0	0	105.9	L90	F2-L90 HydrophobicContact CD2-CB 3.93Å; F2-L90 HydrophobicContact CE2-CB 3.35Å; F2-L90 HydrophobicContact CE2-CD2 3.56Å; F2-L90 HydrophobicContact CE2-CG 4.06Å; F2-L90 HydrophobicContact CZ-CB 3.96Å; F2-L90 HydrophobicContact CZ-CD2 3.44Å; F2-L90 VanDerWaalsContact CZ-CD2 3.44Å; F2-L90 HydrophobicContact CZ-CG 4.26Å
3	I	29.4	Very low	28.4	Very low	101 Å²	101	134.2 Å²	134.2	52%	0.518	65%	0.653	S	S	.	*			trans	-90.1	120.7	167.5	-55.6	179.5	0	0	0	104.8	M1 D5	M1-I3 HydrophobicContact CB-CG1 4.48Å; M1-I3 PolarHBondContact O-N 3.42Å; I3-D5 PolarHBondContact O-N 2.99Å
4	P	30.8	Very low	29	Very low	55 Å²	55	135.6 Å²	135.6	36%	0.357	67%	0.665	S	S	.	*	G	3₁₀ helix	trans	-61.3	-9.7	-172.9	-23.9	34.2	0	0	0	115.8	V6 P85	P4-V6 PolarHBondContact O-N 3.13Å; P4-P85 HydrophobicContact CB-CB 4.34Å; P4-P85 HydrophobicContact CB-CG 3.67Å; P4-P85 HydrophobicContact CG-CG 4.07Å
5	D	35.5	Very low	29.8	Very low	130 Å²	130	134.1 Å²	134.1	70%	0.695	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-90	5.5	-172.6	-58	-29.3	0	0	0	114.7	I3	I3-D5 PolarHBondContact O-N 2.99Å
6	V	31.8	Very low	30.4	Very low	126 Å²	126	132.4 Å²	132.4	76%	0.764	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-125.8	17.7	-175.3	-163.5	0	0	0	0	113.2	P4	P4-V6 PolarHBondContact O-N 3.13Å
7	L	26	Very low	31.1	Very low	124 Å²	124	131.3 Å²	131.3	65%	0.649	66%	0.655	S	S	*	*			trans	-103.2	76.9	163.3	-129.6	143.9	0	0	0	108.9	I9	L7-I9 HydrophobicContact CD2-CG1 3.67Å; L7-I9 PolarHBondContact O-N 2.03Å
8	V	26.4	Very low	31.7	Very low	105 Å²	105	127.6 Å²	127.6	64%	0.636	64%	0.641	S	S	*	*			trans	-64	94.3	155	-178.1	0	0	0	0	105.4	H10	V8-H10 PolarHBondContact O-N 3.4Å
9	I	26.1	Very low	32.1	Very low	92 Å²	92	130.6 Å²	130.6	47%	0.472	65%	0.653	S	S	.	*			trans	-64	93.9	152.9	-61.6	172.5	0	0	0	103.5	L7 R11 Y15	L7-I9 HydrophobicContact CD2-CG1 3.67Å; L7-I9 PolarHBondContact O-N 2.03Å; I9-R11 PolarHBondContact O-N 2.96Å; I9-R11 VanDerWaalsContact O-N 3.15Å; I9-Y15 HydrophobicContact CG2-CE2 3.93Å; I9-Y15 WeakPolarHBondContact CG2-OH 3.04Å
10	H	27	Very low	32.2	Very low	122 Å²	122	129 Å²	129	57%	0.565	65%	0.645	S	S	*	*			trans	-51.8	126.4	165.1	-88.5	-93.5	0	0	0	105.9	V8 Y12	V8-H10 PolarHBondContact O-N 3.4Å; H10-Y12 HydrophobicContact CB-CD2 3.47Å; H10-Y12 VanDerWaalsContact CB-CD2 3.47Å; H10-Y12 HydrophobicContact CB-CE2 3.51Å; H10-Y12 PolarHBondContact O-N 3.38Å
11	R	24.7	Very low	32.6	Very low	240 Å²	240	125.6 Å²	125.6	91%	0.906	64%	0.643	S	S	*	*			trans	-58.3	81.8	169.6	-91.8	-178.3	174	171.7	-1.7	107.8	I9	I9-R11 PolarHBondContact O-N 2.96Å; I9-R11 VanDerWaalsContact O-N 3.15Å
12	Y	27.3	Very low	33.2	Very low	169 Å²	169	122.2 Å²	122.2	66%	0.663	64%	0.636	S	S	*	*			trans	-93.6	126.9	164.2	-83.8	-82.5	0	0	0	106.8	H10 N14	H10-Y12 HydrophobicContact CB-CD2 3.47Å; H10-Y12 VanDerWaalsContact CB-CD2 3.47Å; H10-Y12 HydrophobicContact CB-CE2 3.51Å; H10-Y12 PolarHBondContact O-N 3.38Å; Y12-N14 PolarHBondContact O-N 2.67Å
13	H	33.6	Very low	33.7	Very low	185 Å²	185	127.6 Å²	127.6	86%	0.856	66%	0.659	S	S	*	*	S	Bend	trans	-66.8	20	-161.3	-82	-83	0	0	0	116.9
14	N	37.1	Very low	34.4	Very low	154 Å²	154	134.1 Å²	134.1	82%	0.824	68%	0.677	S	S	*	*			trans	-130.4	35.1	-164.9	-84.3	-6.4	0	0	0	117.1	Y12	Y12-N14 PolarHBondContact O-N 2.67Å
15	Y	40.5	Very low	35.4	Very low	113 Å²	113	135.8 Å²	135.8	44%	0.443	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-90.1	120.6	172.7	-63.6	-73.7	0	0	0	112.3	I9 V32	I9-Y15 HydrophobicContact CG2-CE2 3.93Å; I9-Y15 WeakPolarHBondContact CG2-OH 3.04Å; Y15-V32 HydrophobicContact CE1-CG2 4.26Å
16	T	39.5	Very low	36.8	Very low	106 Å²	106	137.5 Å²	137.5	65%	0.65	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-92.9	118.8	169.5	32.4	0	0	0	0	110.6	V18	T16-V18 PolarHBondContact O-N 2.76Å
17	P	43.6	Very low	38.2	Very low	114 Å²	114	133.1 Å²	133.1	74%	0.74	67%	0.67	S	S	*	*	B	Isolated β-bridge	trans	-60.2	134.1	168.7	-18.2	30	0	0	0	110.2
18	V	41.3	Very low	40.2	Very low	64 Å²	64	130.8 Å²	130.8	39%	0.388	66%	0.661	S	S	.	*			trans	-94.8	109.4	173.6	-174.5	0	0	0	0	108.5	T16 I20 A31	T16-V18 PolarHBondContact O-N 2.76Å; V18-I20 HydrophobicContact CB-CG1 4.45Å; V18-I20 HydrophobicContact CG1-CD1 4.37Å; V18-I20 HydrophobicContact CG1-CG1 3.81Å; V18-I20 PolarHBondContact O-N 2.89Å; V18-I20 VanDerWaalsContact O-N 3.14Å; V18-A31 HydrophobicContact CG2-CB 3.67Å
19	E	38.9	Very low	42.2	Very low	186 Å²	186	127.4 Å²	127.4	87%	0.869	64%	0.638	S	S	*	*			trans	-72.3	101.5	171.5	-75	-163.9	152.1	0	0	110.1	G21	E19-G21 PolarHBondContact O-N 3.4Å
20	I	34.9	Very low	44.2	Very low	97 Å²	97	127 Å²	127	50%	0.497	63%	0.631	S	S	.	*			trans	-98.1	83.4	175.1	-50.9	-177	0	0	0	109.2	V18 H29	V18-I20 HydrophobicContact CB-CG1 4.45Å; V18-I20 HydrophobicContact CG1-CD1 4.37Å; V18-I20 HydrophobicContact CG1-CG1 3.81Å; V18-I20 PolarHBondContact O-N 2.89Å; V18-I20 VanDerWaalsContact O-N 3.14Å; I20-H29 HydrophobicContact CD1-CB 3.96Å; I20-H29 HydrophobicContact CG1-CB 4.42Å
21	G	40.4	Very low	45.8	Very low	58 Å²	58	122.6 Å²	122.6	60%	0.598	62%	0.616	S	S	*	*	S	Bend	trans	74.6	178.6	165.7	0	0	0	0	0	116.6	E19 K23	E19-G21 PolarHBondContact O-N 3.4Å; G21-K23 PolarHBondContact O-N 3.41Å; G21-K23 VanDerWaalsContact O-N 3.1Å
22	P	37.1	Very low	47.9	Very low	128 Å²	128	113 Å²	113	83%	0.831	58%	0.584	S	S	*	*	S	Bend	trans	-72.6	106	-165.1	26.4	-32.6	0	0	0	113.1	R24	P22-R24 VanDerWaalsContact C-N 3.27Å; P22-R24 PolarHBondContact O-N 2.89Å
23	K	37.1	Very low	49.6	Very low	210 Å²	210	113.5 Å²	113.5	91%	0.913	59%	0.59	S	S	*	*	S	Bend	trans	25.5	29.1	152.1	-75.6	-172.4	176.4	178.6	0	121.2	G21	G21-K23 PolarHBondContact O-N 3.41Å; G21-K23 VanDerWaalsContact O-N 3.1Å
24	R	44.1	Very low	50.8	Low	238 Å²	238	111.4 Å²	111.4	90%	0.898	58%	0.58	S	S	*	*			trans	-122.3	21.6	179.3	-74.9	-165.2	179.4	-166.5	1.8	115.6	P22	P22-R24 VanDerWaalsContact C-N 3.27Å; P22-R24 PolarHBondContact O-N 2.89Å
25	T	50.7	Low	52.2	Low	91 Å²	91	108.3 Å²	108.3	56%	0.558	58%	0.576	S	S	*	*			trans	-128.4	129.9	177.1	50.3	0	0	0	0	111.4	C27	T25-C27 PolarHBondContact O-N 2.92Å
26	N	64.3	Low	53.5	Low	165 Å²	165	107.8 Å²	107.8	88%	0.882	58%	0.581	S	S	*	*	S	Bend	trans	-74.1	42	172.3	-74.6	-8.1	0	0	0	111.7
27	C	61.4	Low	54.7	Low	35 Å²	35	106 Å²	106	24%	0.236	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.1	135.1	-175.1	-65.4	0	0	0	0	110.3	T25 L43 C44	T25-C27 PolarHBondContact O-N 2.92Å; C27-L43 CarbonylContact C-O 3.59Å; C27-L43 VanDerWaalsContact CA-O 3.24Å; C27-L43 WeakPolarHBondContact CA-O 3.38Å; C27-C44 HydrophobicContact CB-CB 4.16Å; C27-C44 WeakPolarHBondContact CB-SG 3.43Å; C27-C44 WeakPolarHBondContact SG-CB 3.43Å; C27-C44 CovalentContact SG-SG 2.04Å; C27-C44 PolarHBondContact SG-SG 2.82Å
28	V	69.5	Low	56.1	Low	75 Å²	75	104.3 Å²	104.3	46%	0.455	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.7	170.4	-173.4	0	0	0	0	108.4	Y30 L43	V28-Y30 HydrophobicContact CB-CE2 4.02Å; V28-Y30 HydrophobicContact CG1-CD2 4.45Å; V28-Y30 HydrophobicContact CG1-CE1 4.17Å; V28-Y30 HydrophobicContact CG1-CE2 3.7Å; V28-L43 HydrophobicContact CB-CB 4.47Å; V28-L43 PolarHBondContact N-O 3.23Å; V28-L43 PolarHBondContact O-N 3.21Å
29	H	68.1	Low	57.6	Low	34 Å²	34	101.4 Å²	101.4	16%	0.157	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	131.2	-177.7	-58	-76.5	0	0	0	110.4	I20 F41 S42	I20-H29 HydrophobicContact CD1-CB 3.96Å; I20-H29 HydrophobicContact CG1-CB 4.42Å; H29-F41 CarbonylContact C-O 3.46Å; H29-F41 WeakPolarHBondContact CA-O 2.99Å; H29-S42 PolarHBondContact CE1-OG 3.42Å; H29-S42 WeakPolarHBondContact ND1-CB 3.39Å; H29-S42 PolarHBondContact ND1-OG 3.13Å
30	Y	66.8	Low	59.5	Low	83 Å²	83	97.7 Å²	97.7	33%	0.325	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.2	-179.8	-57.6	-89.9	0	0	0	109.2	V28 I40 F41 L43 W48	V28-Y30 HydrophobicContact CB-CE2 4.02Å; V28-Y30 HydrophobicContact CG1-CD2 4.45Å; V28-Y30 HydrophobicContact CG1-CE1 4.17Å; V28-Y30 HydrophobicContact CG1-CE2 3.7Å; Y30-I40 CarbonylContact O-C 3.42Å; Y30-I40 WeakPolarHBondContact O-CA 3.47Å; Y30-F41 PolarHBondContact N-O 3.33Å; Y30-F41 PolarHBondContact O-N 3.33Å; Y30-L43 HydrophobicContact CE2-CB 4.04Å; Y30-W48 AromaticContact CD2-CH2 3.99Å; Y30-W48 HydrophobicContact CD2-CH2 3.99Å; Y30-W48 AromaticContact CD2-CZ3 3.84Å; Y30-W48 HydrophobicContact CD2-CZ3 3.84Å; Y30-W48 AromaticContact CE2-CH2 3.85Å; Y30-W48 HydrophobicContact CE2-CH2 3.85Å; Y30-W48 HydrophobicContact CE2-CZ3 4.12Å
31	A	62.1	Low	61.5	Low	30 Å²	30	94.6 Å²	94.6	25%	0.248	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	140.3	165.6	0	0	0	0	0	109.1	V18 G39	V18-A31 HydrophobicContact CG2-CB 3.67Å; A31-G39 CarbonylContact C-O 3.57Å; A31-G39 WeakPolarHBondContact CA-O 3.19Å
32	V	67.2	Low	63.1	Low	39 Å²	39	93.2 Å²	93.2	24%	0.236	48%	0.481	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	130.4	174.7	-179.2	0	0	0	0	107.6	Y15 H38 G39 F41	Y15-V32 HydrophobicContact CE1-CG2 4.26Å; V32-H38 CarbonylContact O-C 3.46Å; V32-H38 WeakPolarHBondContact O-CA 3.34Å; V32-G39 PolarHBondContact N-O 2.84Å; V32-G39 PolarHBondContact O-N 2.77Å; V32-F41 HydrophobicContact CB-CE2 4.48Å; V32-F41 HydrophobicContact CG2-CD2 4.23Å; V32-F41 HydrophobicContact CG2-CE2 3.93Å
33	K	63.3	Low	64.8	Low	178 Å²	178	89 Å²	89	77%	0.774	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	106.9	175.1	-176.6	179.8	-179.9	-175	0	108.1	I37	K33-I37 WeakPolarHBondContact CA-O 3.29Å
34	E	59	Low	66.2	Low	141 Å²	141	81 Å²	81	66%	0.659	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.6	123.9	177.3	-164.6	168.3	-158.9	0	0	110.3	D36 I37	E34-D36 PolarHBondContact O-N 2.83Å; E34-D36 VanDerWaalsContact O-N 3.12Å; E34-I37 PolarHBondContact N-O 3.44Å; E34-I37 WeakPolarHBondContact O-CA 3.33Å; E34-I37 WeakPolarHBondContact O-CB 3.44Å; E34-I37 PolarHBondContact O-N 2.86Å
35	A	66.5	Low	67.2	Low	89 Å²	89	72.5 Å²	72.5	74%	0.736	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	-113.1	-173.6	0	0	0	0	0	112.5
36	D	67	Low	67.9	Low	102 Å²	102	75.1 Å²	75.1	55%	0.545	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	11.9	-178.4	-56.2	-51.1	0	0	0	112.9	E34 D55	E34-D36 PolarHBondContact O-N 2.83Å; E34-D36 VanDerWaalsContact O-N 3.12Å; D36-D55 WeakPolarHBondContact CB-OD1 3.34Å; D36-D55 PolarHBondContact O-N 2.94Å
37	I	64.8	Low	68	Low	68 Å²	68	69.2 Å²	69.2	35%	0.349	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.5	-178	-54.6	-179.8	0	0	0	110.2	K33 E34 L52 K53 V54	K33-I37 WeakPolarHBondContact CA-O 3.29Å; E34-I37 PolarHBondContact N-O 3.44Å; E34-I37 WeakPolarHBondContact O-CA 3.33Å; E34-I37 WeakPolarHBondContact O-CB 3.44Å; E34-I37 PolarHBondContact O-N 2.86Å; I37-L52 HydrophobicContact CG2-CD1 3.36Å; I37-L52 HydrophobicContact CG2-CG 4.34Å; I37-K53 CarbonylContact C-O 3.47Å; I37-K53 VanDerWaalsContact CA-O 3.3Å; I37-K53 WeakPolarHBondContact CA-O 3.3Å; I37-V54 HydrophobicContact CG1-CG1 4.25Å; I37-V54 HydrophobicContact CG1-CG2 4.4Å; I37-V54 HydrophobicContact CG2-CG2 4.4Å
38	H	73.4	Confident	68.5	Low	80 Å²	80	71.4 Å²	71.4	37%	0.37	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	117.3	174.7	-59.1	-92.8	0	0	0	110.4	V32 L52 K53	V32-H38 CarbonylContact O-C 3.46Å; V32-H38 WeakPolarHBondContact O-CA 3.34Å; H38-L52 CarbonylContact O-C 3.57Å; H38-K53 HydrophobicContact CB-CB 4.24Å; H38-K53 PolarHBondContact N-O 3.39Å; H38-K53 PolarHBondContact O-N 2.77Å
39	G	73.8	Confident	68.9	Low	3 Å²	3	74.5 Å²	74.5	3%	0.031	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.1	-178.1	0	0	0	0	0	112.9	A31 V32 T51	A31-G39 CarbonylContact C-O 3.57Å; A31-G39 WeakPolarHBondContact CA-O 3.19Å; V32-G39 PolarHBondContact N-O 2.84Å; V32-G39 PolarHBondContact O-N 2.77Å; G39-T51 CarbonylContact C-O 3.56Å; G39-T51 VanDerWaalsContact CA-O 3.26Å; G39-T51 WeakPolarHBondContact CA-O 3.41Å
40	I	77.4	Confident	69.5	Low	107 Å²	107	73.5 Å²	73.5	55%	0.549	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	126.1	162.8	-59.8	174.3	0	0	0	107.5	Y30 G50 T51	Y30-I40 CarbonylContact O-C 3.42Å; Y30-I40 WeakPolarHBondContact O-CA 3.47Å; I40-G50 CarbonylContact O-C 3.5Å; I40-G50 WeakPolarHBondContact O-CA 3.34Å; I40-T51 PolarHBondContact N-O 2.96Å; I40-T51 PolarHBondContact O-N 2.8Å
41	F	77.8	Confident	70	Confident	32 Å²	32	72.1 Å²	72.1	14%	0.14	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.6	179.8	-53.1	-86.3	0	0	0	110.1	H29 Y30 V32 W48 R49 L52 L61	H29-F41 CarbonylContact C-O 3.46Å; H29-F41 WeakPolarHBondContact CA-O 2.99Å; Y30-F41 PolarHBondContact N-O 3.33Å; Y30-F41 PolarHBondContact O-N 3.33Å; V32-F41 HydrophobicContact CB-CE2 4.48Å; V32-F41 HydrophobicContact CG2-CD2 4.23Å; V32-F41 HydrophobicContact CG2-CE2 3.93Å; F41-W48 HydrophobicContact CB-CE3 3.88Å; F41-W48 HydrophobicContact CB-CZ3 3.85Å; F41-W48 HydrophobicContact CG-CE3 4.42Å; F41-W48 HydrophobicContact CG-CZ3 4.4Å; F41-R49 CarbonylContact C-O 3.48Å; F41-R49 VanDerWaalsContact CA-O 3.3Å; F41-R49 WeakPolarHBondContact CA-O 3.1Å; F41-L52 HydrophobicContact CZ-CB 4.13Å; F41-L52 HydrophobicContact CZ-CD1 4.03Å; F41-L61 HydrophobicContact CD1-CD2 4.05Å; F41-L61 HydrophobicContact CE1-CD2 4.22Å
42	S	73.4	Confident	70.6	Confident	29 Å²	29	72.5 Å²	72.5	20%	0.203	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	121.8	176.1	-57	0	0	0	0	107.6	H29 R49	H29-S42 PolarHBondContact CE1-OG 3.42Å; H29-S42 WeakPolarHBondContact ND1-CB 3.39Å; H29-S42 PolarHBondContact ND1-OG 3.13Å; S42-R49 PolarHBondContact N-O 3.21Å; S42-R49 PolarHBondContact O-N 3.41Å
43	L	73.2	Confident	70.9	Confident	40 Å²	40	74.8 Å²	74.8	21%	0.209	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	99.3	171.6	-179.3	66.1	0	0	0	107.9	C27 V28 Y30 W48	C27-L43 CarbonylContact C-O 3.59Å; C27-L43 VanDerWaalsContact CA-O 3.24Å; C27-L43 WeakPolarHBondContact CA-O 3.38Å; V28-L43 HydrophobicContact CB-CB 4.47Å; V28-L43 PolarHBondContact N-O 3.23Å; V28-L43 PolarHBondContact O-N 3.21Å; Y30-L43 HydrophobicContact CE2-CB 4.04Å; L43-W48 HydrophobicContact CD1-CD2 4.21Å; L43-W48 HydrophobicContact CD1-CG 4.13Å
44	C	66	Low	71.2	Confident	41 Å²	41	68 Å²	68	28%	0.277	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	118.6	175.7	-64.2	0	0	0	0	108.4	C27 Q46 Q47	C27-C44 HydrophobicContact CB-CB 4.16Å; C27-C44 WeakPolarHBondContact CB-SG 3.43Å; C27-C44 WeakPolarHBondContact SG-CB 3.43Å; C27-C44 CovalentContact SG-SG 2.04Å; C27-C44 PolarHBondContact SG-SG 2.82Å; C44-Q46 PolarHBondContact O-N 2.68Å; C44-Q47 PolarHBondContact N-O 2Å; C44-Q47 VanDerWaalsContact N-O 3.13Å; C44-Q47 WeakPolarHBondContact O-CB 3.37Å; C44-Q47 PolarHBondContact O-N 2.9Å
45	G	65.6	Low	71.8	Confident	60 Å²	60	66 Å²	66	62%	0.619	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	48.8	175.9	0	0	0	0	0	114.6	Q47	G45-Q47 PolarHBondContact O-N 2.88Å; G45-Q47 VanDerWaalsContact O-N 3.14Å
46	Q	64.4	Low	71.6	Confident	147 Å²	147	65.9 Å²	65.9	69%	0.687	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	11.3	-175.3	-56.7	-176.5	-1.8	0	0	115.4	C44	C44-Q46 PolarHBondContact O-N 2.68Å
47	Q	67.3	Low	71.2	Confident	40 Å²	40	62.9 Å²	62.9	19%	0.187	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.6	177.8	-72.6	-171.6	-17.3	0	0	110.9	C44 G45 P63 K86	C44-Q47 PolarHBondContact N-O 2Å; C44-Q47 VanDerWaalsContact N-O 3.13Å; C44-Q47 WeakPolarHBondContact O-CB 3.37Å; C44-Q47 PolarHBondContact O-N 2.9Å; G45-Q47 PolarHBondContact O-N 2.88Å; G45-Q47 VanDerWaalsContact O-N 3.14Å; Q47-P63 HydrophobicContact CB-CG 3.74Å; Q47-P63 HydrophobicContact CG-CB 4.27Å; Q47-P63 HydrophobicContact CG-CG 4Å; Q47-K86 HydrophobicContact CG-CD 4.03Å
48	W	72.9	Confident	71.2	Confident	81 Å²	81	61.5 Å²	61.5	31%	0.307	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.7	167.7	-65.7	84.3	0	0	0	111.3	Y30 F41 L43 L61 H88	Y30-W48 AromaticContact CD2-CH2 3.99Å; Y30-W48 HydrophobicContact CD2-CH2 3.99Å; Y30-W48 AromaticContact CD2-CZ3 3.84Å; Y30-W48 HydrophobicContact CD2-CZ3 3.84Å; Y30-W48 AromaticContact CE2-CH2 3.85Å; Y30-W48 HydrophobicContact CE2-CH2 3.85Å; Y30-W48 HydrophobicContact CE2-CZ3 4.12Å; F41-W48 HydrophobicContact CB-CE3 3.88Å; F41-W48 HydrophobicContact CB-CZ3 3.85Å; F41-W48 HydrophobicContact CG-CE3 4.42Å; F41-W48 HydrophobicContact CG-CZ3 4.4Å; L43-W48 HydrophobicContact CD1-CD2 4.21Å; L43-W48 HydrophobicContact CD1-CG 4.13Å; W48-L61 HydrophobicContact CB-CD2 3.69Å; W48-H88 AromaticContact CD1-CE1 3.85Å; W48-H88 PolarHBondContact N-NE2 2.82Å; W48-H88 PolarHBondContact O-CD2 2.88Å; W48-H88 PolarHBondContact O-NE2 3.41Å
49	R	76.9	Confident	71.2	Confident	141 Å²	141	60.6 Å²	60.6	53%	0.532	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.7	164.6	-68.1	178.8	-173.2	-167.4	2	107.1	F41 S42 L61 P63	F41-R49 CarbonylContact C-O 3.48Å; F41-R49 VanDerWaalsContact CA-O 3.3Å; F41-R49 WeakPolarHBondContact CA-O 3.1Å; S42-R49 PolarHBondContact N-O 3.21Å; S42-R49 PolarHBondContact O-N 3.41Å; R49-L61 WeakPolarHBondContact CA-O 3.21Å; R49-P63 HydrophobicContact CG-CG 4.32Å
50	G	80.1	Confident	71.3	Confident	12 Å²	12	61.2 Å²	61.2	12%	0.124	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	173	177	0	0	0	0	0	113.6	I40 L61	I40-G50 CarbonylContact O-C 3.5Å; I40-G50 WeakPolarHBondContact O-CA 3.34Å; G50-L61 PolarHBondContact N-O 2.02Å; G50-L61 PolarHBondContact O-N 2.81Å
51	T	77.8	Confident	71.4	Confident	55 Å²	55	57.1 Å²	57.1	34%	0.337	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.7	175.7	-54.8	0	0	0	0	107.4	G39 I40 L58 Y59	G39-T51 CarbonylContact C-O 3.56Å; G39-T51 VanDerWaalsContact CA-O 3.26Å; G39-T51 WeakPolarHBondContact CA-O 3.41Å; I40-T51 PolarHBondContact N-O 2.96Å; I40-T51 PolarHBondContact O-N 2.8Å; T51-L58 HydrophobicContact CG2-CD1 3.31Å; T51-L58 HydrophobicContact CG2-CD2 4.13Å; T51-L58 HydrophobicContact CG2-CG 3.67Å; T51-Y59 CarbonylContact C-O 3.3Å; T51-Y59 VanDerWaalsContact CA-O 3.27Å; T51-Y59 WeakPolarHBondContact CA-O 2.96Å; T51-Y59 WeakPolarHBondContact CG2-O 3.23Å
52	L	75.6	Confident	71.2	Confident	38 Å²	38	59.6 Å²	59.6	20%	0.199	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.7	178.7	178.4	72.2	0	0	0	107.6	I37 H38 F41 V54 L58 Y59	I37-L52 HydrophobicContact CG2-CD1 3.36Å; I37-L52 HydrophobicContact CG2-CG 4.34Å; H38-L52 CarbonylContact O-C 3.57Å; F41-L52 HydrophobicContact CZ-CB 4.13Å; F41-L52 HydrophobicContact CZ-CD1 4.03Å; L52-V54 HydrophobicContact CD1-CG2 4.44Å; L52-V54 HydrophobicContact CD2-CG2 3.69Å; L52-V54 HydrophobicContact CG-CG2 3.73Å; L52-L58 CarbonylContact O-C 3.53Å; L52-Y59 PolarHBondContact N-O 2.79Å; L52-Y59 WeakPolarHBondContact O-CA 2.97Å; L52-Y59 WeakPolarHBondContact O-CB 3.38Å; L52-Y59 PolarHBondContact O-N 3.41Å
53	K	72.1	Confident	71	Confident	87 Å²	87	59.2 Å²	59.2	38%	0.378	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.1	166.6	-174.4	-174.4	174.9	-168.1	0	107.5	I37 H38 D55 D57 L58	I37-K53 CarbonylContact C-O 3.47Å; I37-K53 VanDerWaalsContact CA-O 3.3Å; I37-K53 WeakPolarHBondContact CA-O 3.3Å; H38-K53 HydrophobicContact CB-CB 4.24Å; H38-K53 PolarHBondContact N-O 3.39Å; H38-K53 PolarHBondContact O-N 2.77Å; K53-D55 WeakPolarHBondContact CE-O 3.49Å; K53-D57 CarbonylContact C-O 3.57Å; K53-D57 VanDerWaalsContact CA-O 3.32Å; K53-D57 WeakPolarHBondContact CA-O 3.25Å; K53-L58 HydrophobicContact CB-CD1 4.24Å
54	V	70.9	Confident	70.6	Confident	36 Å²	36	59.4 Å²	59.4	22%	0.218	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	117.8	171.6	-177.2	0	0	0	0	105.9	I37 L52 D56 D57 Y59	I37-V54 HydrophobicContact CG1-CG1 4.25Å; I37-V54 HydrophobicContact CG1-CG2 4.4Å; I37-V54 HydrophobicContact CG2-CG2 4.4Å; L52-V54 HydrophobicContact CD1-CG2 4.44Å; L52-V54 HydrophobicContact CD2-CG2 3.69Å; L52-V54 HydrophobicContact CG-CG2 3.73Å; V54-D56 PolarHBondContact O-N 3.06Å; V54-D57 PolarHBondContact N-O 2.76Å; V54-D57 WeakPolarHBondContact O-CA 3.48Å; V54-D57 WeakPolarHBondContact O-CB 3.23Å; V54-D57 PolarHBondContact O-N 2.93Å; V54-Y59 HydrophobicContact CB-CD2 4.43Å; V54-Y59 HydrophobicContact CB-CE2 4.08Å; V54-Y59 HydrophobicContact CG2-CD2 4.2Å; V54-Y59 HydrophobicContact CG2-CE2 4.21Å
55	D	70.2	Confident	70.3	Confident	98 Å²	98	61.2 Å²	61.2	52%	0.524	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	-125.7	-169.9	-51	-39.2	0	0	0	110.6	D36 K53	D36-D55 WeakPolarHBondContact CB-OD1 3.34Å; D36-D55 PolarHBondContact O-N 2.94Å; K53-D55 WeakPolarHBondContact CE-O 3.49Å
56	D	63.9	Low	69.7	Low	87 Å²	87	64.7 Å²	64.7	47%	0.465	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-11.7	172.2	-73.3	-39	0	0	0	113.2	V54 P95 M97	V54-D56 PolarHBondContact O-N 3.06Å; D56-P95 HydrophobicContact CB-CG 4.42Å; D56-P95 WeakPolarHBondContact O-CB 3.33Å; D56-P95 WeakPolarHBondContact O-CG 3.17Å; D56-M97 WeakPolarHBondContact OD1-CE 3.03Å
57	D	58.5	Low	69	Low	38 Å²	38	59 Å²	59	20%	0.203	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.1	-173.3	-70.2	-36.7	0	0	0	112.7	K53 V54 Y59 K92	K53-D57 CarbonylContact C-O 3.57Å; K53-D57 VanDerWaalsContact CA-O 3.32Å; K53-D57 WeakPolarHBondContact CA-O 3.25Å; V54-D57 PolarHBondContact N-O 2.76Å; V54-D57 WeakPolarHBondContact O-CA 3.48Å; V54-D57 WeakPolarHBondContact O-CB 3.23Å; V54-D57 PolarHBondContact O-N 2.93Å; D57-Y59 HydrophobicContact CB-CD2 4.31Å; D57-Y59 HydrophobicContact CB-CE2 3.55Å; D57-K92 HydrophobicContact CB-CD 4.41Å; D57-K92 WeakPolarHBondContact OD1-CE 3.48Å; D57-K92 IonicContact OD1-NZ 3.03Å; D57-K92 PolarHBondContact OD1-NZ 3.43Å; D57-K92 WeakPolarHBondContact OD2-CE 3.42Å; D57-K92 IonicContact OD2-NZ 3.83Å; D57-K92 PolarHBondContact OD2-NZ 2.85Å
58	L	63.5	Low	68.1	Low	39 Å²	39	59.8 Å²	59.8	20%	0.204	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.9	174.8	-166.7	74.2	0	0	0	109	T51 L52 K53 K92 R93	T51-L58 HydrophobicContact CG2-CD1 3.31Å; T51-L58 HydrophobicContact CG2-CD2 4.13Å; T51-L58 HydrophobicContact CG2-CG 3.67Å; L52-L58 CarbonylContact O-C 3.53Å; K53-L58 HydrophobicContact CB-CD1 4.24Å; L58-K92 CarbonylContact O-C 3.59Å; L58-K92 WeakPolarHBondContact O-CA 3.08Å; L58-R93 HydrophobicContact CB-CB 3.92Å; L58-R93 HydrophobicContact CD2-CB 3.95Å; L58-R93 HydrophobicContact CD2-CG 4.44Å; L58-R93 HydrophobicContact CG-CB 4.2Å; L58-R93 PolarHBondContact N-O 2.91Å; L58-R93 CarbonylContact O-C 3.42Å; L58-R93 WeakPolarHBondContact O-CA 3.47Å; L58-R93 WeakPolarHBondContact O-CB 3.3Å; L58-R93 PolarHBondContact O-N 3.32Å
59	Y	73.7	Confident	67	Low	62 Å²	62	57.8 Å²	57.8	24%	0.243	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.7	175.8	-64.3	-99.3	0	0	0	109.2	T51 L52 V54 D57 L90 Y91 K92	T51-Y59 CarbonylContact C-O 3.3Å; T51-Y59 VanDerWaalsContact CA-O 3.27Å; T51-Y59 WeakPolarHBondContact CA-O 2.96Å; T51-Y59 WeakPolarHBondContact CG2-O 3.23Å; L52-Y59 PolarHBondContact N-O 2.79Å; L52-Y59 WeakPolarHBondContact O-CA 2.97Å; L52-Y59 WeakPolarHBondContact O-CB 3.38Å; L52-Y59 PolarHBondContact O-N 3.41Å; V54-Y59 HydrophobicContact CB-CD2 4.43Å; V54-Y59 HydrophobicContact CB-CE2 4.08Å; V54-Y59 HydrophobicContact CG2-CD2 4.2Å; V54-Y59 HydrophobicContact CG2-CE2 4.21Å; D57-Y59 HydrophobicContact CB-CD2 4.31Å; D57-Y59 HydrophobicContact CB-CE2 3.55Å; Y59-L90 HydrophobicContact CD1-CD2 3.96Å; Y59-L90 HydrophobicContact CD1-CG 4.17Å; Y59-L90 HydrophobicContact CG-CD2 4.43Å; Y59-Y91 CarbonylContact C-O 3.58Å; Y59-Y91 WeakPolarHBondContact CA-O 3.2Å; Y59-K92 HydrophobicContact CD1-CB 4.01Å; Y59-K92 HydrophobicContact CE1-CB 3.83Å; Y59-K92 HydrophobicContact CE1-CD 4.48Å; Y59-K92 HydrophobicContact CE1-CG 4.26Å
60	T	76.3	Confident	65.5	Low	16 Å²	16	53.9 Å²	53.9	10%	0.098	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.4	177	-57.4	0	0	0	0	109.8	L90 Y91 R93	T60-L90 WeakPolarHBondContact O-CA 3.04Å; T60-Y91 HydrophobicContact CG2-CE1 3.92Å; T60-Y91 PolarHBondContact N-O 3.5Å; T60-Y91 WeakPolarHBondContact O-CD1 3.2Å; T60-Y91 PolarHBondContact O-N 3.42Å; T60-R93 VanDerWaalsContact OG1-CD 3.27Å; T60-R93 WeakPolarHBondContact OG1-CD 3.42Å; T60-R93 PolarHBondContact OG1-NE 2.03Å
61	L	78.8	Confident	63.9	Low	21 Å²	21	56.5 Å²	56.5	11%	0.11	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	123.9	175.8	-177.1	71.8	0	0	0	109.3	F41 W48 R49 G50 H88 V89 L90	F41-L61 HydrophobicContact CD1-CD2 4.05Å; F41-L61 HydrophobicContact CE1-CD2 4.22Å; W48-L61 HydrophobicContact CB-CD2 3.69Å; R49-L61 WeakPolarHBondContact CA-O 3.21Å; G50-L61 PolarHBondContact N-O 2.02Å; G50-L61 PolarHBondContact O-N 2.81Å; L61-H88 HydrophobicContact CD1-CB 3.51Å; L61-H88 HydrophobicContact CG-CB 4.23Å; L61-V89 WeakPolarHBondContact CA-O 3.09Å; L61-L90 HydrophobicContact CB-CD1 4.04Å; L61-L90 HydrophobicContact CD1-CD1 4.3Å
62	Q	75.1	Confident	62.3	Low	84 Å²	84	55.9 Å²	55.9	39%	0.393	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	152.3	175.5	64.5	-178.2	-1.9	0	0	111.6	H88 V89 Y91	Q62-H88 CarbonylContact O-C 3.55Å; Q62-H88 VanDerWaalsContact O-CA 3.27Å; Q62-H88 WeakPolarHBondContact O-CA 3.4Å; Q62-H88 WeakPolarHBondContact O-CB 3.39Å; Q62-V89 HydrophobicContact CG-CB 4.3Å; Q62-V89 PolarHBondContact N-O 2.87Å; Q62-V89 PolarHBondContact O-N 2.05Å; Q62-Y91 HydrophobicContact CG-CE1 4.11Å
63	P	68.7	Low	60.8	Low	21 Å²	21	56.7 Å²	56.7	14%	0.136	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	141.1	175	-23.7	35	0	0	0	111.7	Q47 R49	Q47-P63 HydrophobicContact CB-CG 3.74Å; Q47-P63 HydrophobicContact CG-CB 4.27Å; Q47-P63 HydrophobicContact CG-CG 4Å; R49-P63 HydrophobicContact CG-CG 4.32Å
64	L	64.9	Low	59.5	Low	44 Å²	44	59 Å²	59	23%	0.23	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-66.3	131	169.5	-169.8	72.9	0	0	0	108.3	E66 L68 R87 V89	L64-E66 PolarHBondContact O-N 2.81Å; L64-L68 HydrophobicContact CD1-CB 4.15Å; L64-L68 HydrophobicContact CD1-CD1 4.33Å; L64-L68 HydrophobicContact CD2-CB 4.16Å; L64-L68 HydrophobicContact CG-CB 3.97Å; L64-R87 HydrophobicContact CB-CB 4.4Å; L64-R87 WeakPolarHBondContact CB-O 3Å; L64-R87 HydrophobicContact CD2-CB 4.25Å; L64-R87 PolarHBondContact N-O 2.87Å; L64-V89 HydrophobicContact CD1-CG2 3.43Å; L64-V89 VanDerWaalsContact CD1-CG2 3.43Å
65	P	59.4	Low	58.1	Low	79 Å²	79	63.2 Å²	63.2	51%	0.513	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-54.7	135.9	175.7	-24.5	33	0	0	0	110.9	G67 L68	P65-G67 PolarHBondContact O-N 2.9Å; P65-L68 HydrophobicContact CB-CD1 4.5Å; P65-L68 HydrophobicContact CG-CD1 4.2Å; P65-L68 PolarHBondContact O-N 3.47Å
66	E	52.6	Low	57	Low	133 Å²	133	61.3 Å²	61.3	62%	0.621	34%	0.335	S	S	*	.	H	α-helix	trans	-57.7	-24.6	-172.5	-67.6	-178.5	163	0	0	113.3	L64 K86	L64-E66 PolarHBondContact O-N 2.81Å; E66-K86 IonicContact OE1-NZ 3.85Å; E66-K86 PolarHBondContact OE1-NZ 2.85Å
67	G	50.1	Low	55.9	Low	26 Å²	26	66.7 Å²	66.7	27%	0.268	36%	0.355	S	S	.	.	H	α-helix	trans	-77.7	-10.5	174.9	0	0	0	0	0	116.3	P65 T70	P65-G67 PolarHBondContact O-N 2.9Å; G67-T70 PolarHBondContact O-OG1 2.73Å; G67-T70 VanDerWaalsContact O-OG1 3.13Å
68	L	47.9	Very low	55.2	Low	57 Å²	57	73.5 Å²	73.5	30%	0.298	38%	0.377	S	S	.	.	H	α-helix	trans	-98	-21.4	173.4	-79.9	164.3	0	0	0	112.3	L64 P65 T70 L71	L64-L68 HydrophobicContact CD1-CB 4.15Å; L64-L68 HydrophobicContact CD1-CD1 4.33Å; L64-L68 HydrophobicContact CD2-CB 4.16Å; L64-L68 HydrophobicContact CG-CB 3.97Å; P65-L68 HydrophobicContact CB-CD1 4.5Å; P65-L68 HydrophobicContact CG-CD1 4.2Å; P65-L68 PolarHBondContact O-N 3.47Å; L68-T70 VanDerWaalsContact C-N 3.29Å; L68-L71 PolarHBondContact O-N 2.97Å
69	A	49.2	Very low	54.3	Low	39 Å²	39	82.9 Å²	82.9	32%	0.322	41%	0.41	S	S	.	.	H	α-helix	trans	-63.1	-39	172.3	0	0	0	0	0	111	L71 D72 D73	A69-L71 VanDerWaalsContact C-N 3.31Å; A69-L71 PolarHBondContact O-N 2.88Å; A69-D72 PolarHBondContact O-N 3.41Å; A69-D73 PolarHBondContact O-N 3.42Å
70	T	46.6	Very low	52.6	Low	59 Å²	59	84.8 Å²	84.8	36%	0.362	42%	0.424	S	S	.	.	H	α-helix	trans	-69.2	-23.5	-179.9	53	0	0	0	0	114.2	G67 L68 D72 D73 I74	G67-T70 PolarHBondContact O-OG1 2.73Å; G67-T70 VanDerWaalsContact O-OG1 3.13Å; L68-T70 VanDerWaalsContact C-N 3.29Å; T70-D72 VanDerWaalsContact C-N 3.31Å; T70-D73 PolarHBondContact O-N 2.04Å; T70-I74 VanDerWaalsContact O-CG1 3.32Å; T70-I74 WeakPolarHBondContact O-CG1 3.4Å; T70-I74 PolarHBondContact O-N 2.93Å
71	L	45.4	Very low	50.9	Low	67 Å²	67	90.5 Å²	90.5	35%	0.351	45%	0.454	S	S	.	.	H	α-helix	trans	-72	-30.3	178.6	-155.6	77.7	0	0	0	111.1	L68 A69 L75	L68-L71 PolarHBondContact O-N 2.97Å; A69-L71 VanDerWaalsContact C-N 3.31Å; A69-L71 PolarHBondContact O-N 2.88Å; L71-L75 VanDerWaalsContact O-CD1 3.31Å; L71-L75 WeakPolarHBondContact O-CD1 3.25Å; L71-L75 VanDerWaalsContact O-CG 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.3Å; L71-L75 PolarHBondContact O-N 3.39Å
72	D	44.4	Very low	48.9	Very low	43 Å²	43	97.1 Å²	97.1	23%	0.23	50%	0.495	C	S	.	.	H	α-helix	trans	-86.1	-25.7	174.8	-148.6	42.1	0	0	0	112.3	A69 T70 I74 L75 T76 R87	A69-D72 PolarHBondContact O-N 3.41Å; T70-D72 VanDerWaalsContact C-N 3.31Å; D72-I74 PolarHBondContact O-N 2.04Å; D72-L75 CarbonylContact O-C 3.6Å; D72-L75 WeakPolarHBondContact O-CA 3.49Å; D72-L75 PolarHBondContact O-N 3.16Å; D72-T76 WeakPolarHBondContact O-CB 3.34Å; D72-T76 PolarHBondContact O-N 3.44Å; D72-T76 PolarHBondContact O-OG1 2.91Å; D72-R87 IonicContact OD2-CZ 2.63Å; D72-R87 IonicContact OD2-NH1 3.2Å; D72-R87 PolarHBondContact OD2-NH1 3.13Å; D72-R87 IonicContact OD2-NH2 3.52Å
73	D	44	Very low	47.4	Very low	55 Å²	55	96.5 Å²	96.5	29%	0.294	51%	0.511	S	S	.	.	H	α-helix	trans	-61.6	-33.7	168.6	-73.6	-6.6	0	0	0	111.5	A69 T70 K77 N80	A69-D73 PolarHBondContact O-N 3.42Å; T70-D73 PolarHBondContact O-N 2.04Å; D73-K77 PolarHBondContact O-N 2.95Å; D73-N80 PolarHBondContact OD2-ND2 3.21Å
74	I	45.7	Very low	46.4	Very low	135 Å²	135	100.1 Å²	100.1	69%	0.692	53%	0.526	S	S	*	.	H	α-helix	trans	-71.6	-30.9	171.6	-65.5	166.5	0	0	0	111.4	T70 D72	T70-I74 VanDerWaalsContact O-CG1 3.32Å; T70-I74 WeakPolarHBondContact O-CG1 3.4Å; T70-I74 PolarHBondContact O-N 2.93Å; D72-I74 PolarHBondContact O-N 2.04Å
75	L	40.7	Very low	45.7	Very low	124 Å²	124	101.6 Å²	101.6	65%	0.649	54%	0.538	S	S	*	.	H	α-helix	trans	-89.8	-19.9	-177.8	-67	164.9	0	0	0	114.2	L71 D72	L71-L75 VanDerWaalsContact O-CD1 3.31Å; L71-L75 WeakPolarHBondContact O-CD1 3.25Å; L71-L75 VanDerWaalsContact O-CG 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.3Å; L71-L75 PolarHBondContact O-N 3.39Å; D72-L75 CarbonylContact O-C 3.6Å; D72-L75 WeakPolarHBondContact O-CA 3.49Å; D72-L75 PolarHBondContact O-N 3.16Å
76	T	46.8	Very low	45.5	Very low	58 Å²	58	101.9 Å²	101.9	36%	0.356	53%	0.531	S	S	.	.	H	α-helix	trans	-112	-4.5	-172.7	56.2	0	0	0	0	115.2	D72 R78	D72-T76 WeakPolarHBondContact O-CB 3.34Å; D72-T76 PolarHBondContact O-N 3.44Å; D72-T76 PolarHBondContact O-OG1 2.91Å; T76-R78 PolarHBondContact O-N 3.47Å
77	K	42.9	Very low	45.9	Very low	201 Å²	201	99.6 Å²	99.6	87%	0.874	52%	0.517	S	S	*	.			trans	49.8	19.7	174.7	-85.5	-169	178.7	-174.5	0	114.8	D73	D73-K77 PolarHBondContact O-N 2.95Å
78	R	41.7	Very low	46.7	Very low	180 Å²	180	99.9 Å²	99.9	68%	0.679	51%	0.511	S	S	*	.			trans	-89.7	120	173.9	-77.7	-170.5	176	-174.7	-0.2	108.7	T76 N80	T76-R78 PolarHBondContact O-N 3.47Å; R78-N80 PolarHBondContact O-N 3.01Å
79	R	46	Very low	47.5	Very low	237 Å²	237	99.5 Å²	99.5	89%	0.894	51%	0.511	S	S	*	.			trans	-61.8	120.3	166.6	-81.3	178.9	172.2	169.5	-3	107.2	L81	R79-L81 PolarHBondContact O-N 3.38Å
80	N	38.5	Very low	48.3	Very low	101 Å²	101	100.2 Å²	100.2	54%	0.54	51%	0.509	S	S	.	.			trans	-51.3	106	172.7	-77.4	-38.9	0	0	0	109.9	D73 R78	D73-N80 PolarHBondContact OD2-ND2 3.21Å; R78-N80 PolarHBondContact O-N 3.01Å
81	L	39.2	Very low	49.1	Very low	137 Å²	137	101.4 Å²	101.4	72%	0.717	51%	0.508	S	S	*	.			trans	-70	130.3	160.1	-83.7	151.4	0	0	0	106.9	R79 G83	R79-L81 PolarHBondContact O-N 3.38Å; L81-G83 PolarHBondContact O-N 2.98Å
82	V	36.4	Very low	50.1	Low	159 Å²	159	103.5 Å²	103.5	96%	0.964	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	110.8	178	177.8	0	0	0	0	108.6
83	G	45.5	Very low	50.5	Low	71 Å²	71	106.7 Å²	106.7	73%	0.732	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.3	1.9	176.3	0	0	0	0	0	117	L81	L81-G83 PolarHBondContact O-N 2.98Å
84	E	46.5	Very low	50.5	Low	97 Å²	97	108.6 Å²	108.6	45%	0.453	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-67.6	138.6	178.9	-82.7	-167.2	179.6	0	0	113.7	K86	E84-K86 PolarHBondContact O-N 2.83Å
85	P	51.3	Low	50.1	Low	75 Å²	75	103.7 Å²	103.7	49%	0.487	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-66.5	129.4	-179.5	25.1	-32.3	0	0	0	112.1	P4 R87	P4-P85 HydrophobicContact CB-CB 4.34Å; P4-P85 HydrophobicContact CB-CG 3.67Å; P4-P85 HydrophobicContact CG-CG 4.07Å; P85-R87 PolarHBondContact O-N 3.44Å
86	K	53.4	Low	49.8	Very low	86 Å²	86	104.9 Å²	104.9	37%	0.374	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-56.1	133.3	174.5	-67.8	-170.3	179.8	-172.9	0	109.8	Q47 E66 E84 H88	Q47-K86 HydrophobicContact CG-CD 4.03Å; E66-K86 IonicContact OE1-NZ 3.85Å; E66-K86 PolarHBondContact OE1-NZ 2.85Å; E84-K86 PolarHBondContact O-N 2.83Å; K86-H88 PolarHBondContact O-CE1 2.9Å; K86-H88 PolarHBondContact O-ND1 3.11Å; K86-H88 VanDerWaalsContact O-ND1 3.07Å
87	R	61.4	Low	49.1	Very low	84 Å²	84	107.6 Å²	107.6	32%	0.317	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-73.8	155.1	179.3	-59.8	-173.7	-175	-172.6	8.7	111.7	L64 D72 P85	L64-R87 HydrophobicContact CB-CB 4.4Å; L64-R87 WeakPolarHBondContact CB-O 3Å; L64-R87 HydrophobicContact CD2-CB 4.25Å; L64-R87 PolarHBondContact N-O 2.87Å; D72-R87 IonicContact OD2-CZ 2.63Å; D72-R87 IonicContact OD2-NH1 3.2Å; D72-R87 PolarHBondContact OD2-NH1 3.13Å; D72-R87 IonicContact OD2-NH2 3.52Å; P85-R87 PolarHBondContact O-N 3.44Å
88	H	67.7	Low	48.4	Very low	32 Å²	32	104.2 Å²	104.2	15%	0.148	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	156.7	-178.5	-59	79.7	0	0	0	111.9	W48 L61 Q62 K86	W48-H88 AromaticContact CD1-CE1 3.85Å; W48-H88 PolarHBondContact N-NE2 2.82Å; W48-H88 PolarHBondContact O-CD2 2.88Å; W48-H88 PolarHBondContact O-NE2 3.41Å; L61-H88 HydrophobicContact CD1-CB 3.51Å; L61-H88 HydrophobicContact CG-CB 4.23Å; Q62-H88 CarbonylContact O-C 3.55Å; Q62-H88 VanDerWaalsContact O-CA 3.27Å; Q62-H88 WeakPolarHBondContact O-CA 3.4Å; Q62-H88 WeakPolarHBondContact O-CB 3.39Å; K86-H88 PolarHBondContact O-CE1 2.9Å; K86-H88 PolarHBondContact O-ND1 3.11Å; K86-H88 VanDerWaalsContact O-ND1 3.07Å
89	V	65.1	Low	47.8	Very low	50 Å²	50	103.2 Å²	103.2	30%	0.303	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.8	170.5	-178.9	0	0	0	0	108.5	L61 Q62 L64 Y91	L61-V89 WeakPolarHBondContact CA-O 3.09Å; Q62-V89 HydrophobicContact CG-CB 4.3Å; Q62-V89 PolarHBondContact N-O 2.87Å; Q62-V89 PolarHBondContact O-N 2.05Å; L64-V89 HydrophobicContact CD1-CG2 3.43Å; L64-V89 VanDerWaalsContact CD1-CG2 3.43Å; V89-Y91 HydrophobicContact CG1-CD1 4.36Å
90	L	66.3	Low	47.2	Very low	53 Å²	53	96.1 Å²	96.1	28%	0.277	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.8	166	-170	76.1	0	0	0	108.4	F2 Y59 T60 L61	F2-L90 HydrophobicContact CD2-CB 3.93Å; F2-L90 HydrophobicContact CE2-CB 3.35Å; F2-L90 HydrophobicContact CE2-CD2 3.56Å; F2-L90 HydrophobicContact CE2-CG 4.06Å; F2-L90 HydrophobicContact CZ-CB 3.96Å; F2-L90 HydrophobicContact CZ-CD2 3.44Å; F2-L90 VanDerWaalsContact CZ-CD2 3.44Å; F2-L90 HydrophobicContact CZ-CG 4.26Å; Y59-L90 HydrophobicContact CD1-CD2 3.96Å; Y59-L90 HydrophobicContact CD1-CG 4.17Å; Y59-L90 HydrophobicContact CG-CD2 4.43Å; T60-L90 WeakPolarHBondContact O-CA 3.04Å; L61-L90 HydrophobicContact CB-CD1 4.04Å; L61-L90 HydrophobicContact CD1-CD1 4.3Å
91	Y	63.3	Low	46.8	Very low	85 Å²	85	97.3 Å²	97.3	33%	0.333	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141.6	174.2	63.1	-81.9	0	0	0	110.9	Y59 T60 Q62 V89 R93	Y59-Y91 CarbonylContact C-O 3.58Å; Y59-Y91 WeakPolarHBondContact CA-O 3.2Å; T60-Y91 HydrophobicContact CG2-CE1 3.92Å; T60-Y91 PolarHBondContact N-O 3.5Å; T60-Y91 WeakPolarHBondContact O-CD1 3.2Å; T60-Y91 PolarHBondContact O-N 3.42Å; Q62-Y91 HydrophobicContact CG-CE1 4.11Å; V89-Y91 HydrophobicContact CG1-CD1 4.36Å; Y91-R93 HydrophobicContact CE2-CG 4.13Å; Y91-R93 PolarHBondContact O-N 3.07Å
92	K	64.8	Low	46.5	Very low	111 Å²	111	93.4 Å²	93.4	48%	0.483	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	115.1	177.2	180	173.8	164.9	162	0	109.2	D57 L58 Y59	D57-K92 HydrophobicContact CB-CD 4.41Å; D57-K92 WeakPolarHBondContact OD1-CE 3.48Å; D57-K92 IonicContact OD1-NZ 3.03Å; D57-K92 PolarHBondContact OD1-NZ 3.43Å; D57-K92 WeakPolarHBondContact OD2-CE 3.42Å; D57-K92 IonicContact OD2-NZ 3.83Å; D57-K92 PolarHBondContact OD2-NZ 2.85Å; L58-K92 CarbonylContact O-C 3.59Å; L58-K92 WeakPolarHBondContact O-CA 3.08Å; Y59-K92 HydrophobicContact CD1-CB 4.01Å; Y59-K92 HydrophobicContact CE1-CB 3.83Å; Y59-K92 HydrophobicContact CE1-CD 4.48Å; Y59-K92 HydrophobicContact CE1-CG 4.26Å
93	R	52.7	Low	46.3	Very low	110 Å²	110	89 Å²	89	42%	0.415	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	126.4	159.9	-79.6	-173	170.4	-163.1	-5.8	108.2	L58 T60 Y91	L58-R93 HydrophobicContact CB-CB 3.92Å; L58-R93 HydrophobicContact CD2-CB 3.95Å; L58-R93 HydrophobicContact CD2-CG 4.44Å; L58-R93 HydrophobicContact CG-CB 4.2Å; L58-R93 PolarHBondContact N-O 2.91Å; L58-R93 CarbonylContact O-C 3.42Å; L58-R93 WeakPolarHBondContact O-CA 3.47Å; L58-R93 WeakPolarHBondContact O-CB 3.3Å; L58-R93 PolarHBondContact O-N 3.32Å; T60-R93 VanDerWaalsContact OG1-CD 3.27Å; T60-R93 WeakPolarHBondContact OG1-CD 3.42Å; T60-R93 PolarHBondContact OG1-NE 2.03Å; Y91-R93 HydrophobicContact CE2-CG 4.13Å; Y91-R93 PolarHBondContact O-N 3.07Å
94	S	45.5	Very low	45.7	Very low	95 Å²	95	87.7 Å²	87.7	66%	0.664	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-50.3	131.8	167.9	-35.9	0	0	0	0	109	F96	S94-F96 PolarHBondContact O-N 2.89Å
95	P	37.1	Very low	45.5	Very low	31 Å²	31	83 Å²	83	20%	0.201	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-54	121.4	-174.2	-24.3	31.3	0	0	0	111.6	D56 M97 R276	D56-P95 HydrophobicContact CB-CG 4.42Å; D56-P95 WeakPolarHBondContact O-CB 3.33Å; D56-P95 WeakPolarHBondContact O-CG 3.17Å; P95-M97 HydrophobicContact CB-CG 3.99Å; P95-M97 PolarHBondContact O-N 2.84Å; P95-R276 PolarHBondContact O-NH2 2.75Å
96	F	32.9	Very low	44.9	Very low	149 Å²	149	80.4 Å²	80.4	65%	0.654	42%	0.424	S	S	*	.			trans	-76.3	77.8	155.2	-81.5	-90.5	0	0	0	106.7	S94 T98	S94-F96 PolarHBondContact O-N 2.89Å; F96-T98 PolarHBondContact O-N 2.54Å
97	M	32.4	Very low	44.3	Very low	115 Å²	115	77.7 Å²	77.7	57%	0.567	41%	0.414	S	S	*	.			trans	-66.8	119.4	166.5	-74.2	-166.4	95.4	0	0	108.6	D56 P95 D99	D56-M97 WeakPolarHBondContact OD1-CE 3.03Å; P95-M97 HydrophobicContact CB-CG 3.99Å; P95-M97 PolarHBondContact O-N 2.84Å; M97-D99 PolarHBondContact O-N 2.95Å; M97-D99 VanDerWaalsContact O-N 3.12Å
98	T	28.4	Very low	43.1	Very low	130 Å²	130	77.4 Å²	77.4	80%	0.798	42%	0.421	S	S	*	.	S	Bend	trans	-65.4	92.7	171.6	46.7	0	0	0	0	109.1	F96	F96-T98 PolarHBondContact O-N 2.54Å
99	D	29.9	Very low	41.5	Very low	159 Å²	159	80.1 Å²	80.1	85%	0.85	44%	0.444	S	S	*	.	S	Bend	trans	171.4	75.7	146.2	-92.1	-17.8	0	0	0	109.8	M97	M97-D99 PolarHBondContact O-N 2.95Å; M97-D99 VanDerWaalsContact O-N 3.12Å
100	S	32.9	Very low	40.2	Very low	89 Å²	89	83.4 Å²	83.4	62%	0.622	45%	0.452	S	S	*	.			trans	170.5	122.7	151.9	39	0	0	0	0	109.6	S102	S100-S102 PolarHBondContact O-N 2.84Å
101	P	29.6	Very low	38.5	Very low	125 Å²	125	87 Å²	87	81%	0.812	47%	0.468	S	S	*	.			trans	-78.9	72.1	172.6	33.6	-31.1	0	0	0	108.5
102	S	33.6	Very low	37	Very low	55 Å²	55	90.2 Å²	90.2	39%	0.385	48%	0.479	S	S	.	.			trans	-138.2	82.7	164.9	64.2	0	0	0	0	108.9	S100	S100-S102 PolarHBondContact O-N 2.84Å
103	F	32.5	Very low	35.7	Very low	66 Å²	66	87.4 Å²	87.4	29%	0.289	47%	0.471	S	S	.	.			trans	-54.2	158.8	157.6	-147.2	-102.4	0	0	0	109.8	H320 E322 G333	F103-H320 HydrophobicContact CD1-CB 4.05Å; F103-H320 AromaticContact CD1-CD2 3.67Å; F103-H320 AromaticContact CD1-CE1 3.05Å; F103-H320 WeakPolarHBondContact CD1-CE1 3.37Å; F103-H320 AromaticContact CD1-CG 3.34Å; F103-H320 AromaticContact CD1-ND1 2.94Å; F103-H320 WeakPolarHBondContact CD1-ND1 3.18Å; F103-H320 AromaticContact CD1-NE2 3.45Å; F103-H320 WeakPolarHBondContact CD1-NE2 3.45Å; F103-H320 HydrophobicContact CE1-CB 3.29Å; F103-H320 AromaticContact CE1-CD2 3.31Å; F103-H320 WeakPolarHBondContact CE1-CD2 3.16Å; F103-H320 AromaticContact CE1-CE1 3.56Å; F103-H320 AromaticContact CE1-CG 2.97Å; F103-H320 AromaticContact CE1-ND1 3.16Å; F103-H320 WeakPolarHBondContact CE1-ND1 3.39Å; F103-H320 AromaticContact CE1-NE2 3.61Å; F103-H320 AromaticContact CG-CE1 3.96Å; F103-H320 AromaticContact CG-ND1 3.67Å; F103-H320 HydrophobicContact CZ-CB 3.78Å; F103-H320 AromaticContact CZ-CG 3.96Å; F103-E322 HydrophobicContact CZ-CB 4.41Å; F103-E322 WeakPolarHBondContact CZ-OE2 3.48Å; F103-G333 VanDerWaalsContact CD1-CA 3.5Å; F103-G333 VanDerWaalsContact CZ-N 3.28Å
104	C	32.4	Very low	34.8	Very low	44 Å²	44	85.4 Å²	85.4	30%	0.297	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	149.6	-170.9	85.3	0	0	0	0	112.6	V106 I278 H320	C104-V106 PolarHBondContact O-N 2.72Å; C104-V106 VanDerWaalsContact O-N 3.13Å; C104-I278 HydrophobicContact CB-CG1 4.36Å; C104-I278 HydrophobicContact CB-CG2 4.36Å; C104-H320 PolarHBondContact O-CE1 2.02Å
105	G	43.1	Very low	34.3	Very low	0 Å²	0	85.5 Å²	85.5	0%	0	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-12.3	155.1	0	0	0	0	0	119.5	I281 A282	G105-I281 WeakPolarHBondContact O-CA 3.26Å; G105-I281 WeakPolarHBondContact O-CG1 3.44Å; G105-A282 PolarHBondContact O-N 3.21Å; G105-A282 VanDerWaalsContact O-N 3.16Å; G105-A282 VanDerWaalsContact O-O 3.08Å
106	V	38.6	Very low	34.1	Very low	19 Å²	19	85.9 Å²	85.9	12%	0.115	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-110.3	122	-174.7	-167.9	0	0	0	0	112.5	C104 T108 L284 H314	C104-V106 PolarHBondContact O-N 2.72Å; C104-V106 VanDerWaalsContact O-N 3.13Å; V106-T108 HydrophobicContact CG1-CG2 3.81Å; V106-L284 HydrophobicContact CG1-CB 3.85Å; V106-H314 WeakPolarHBondContact CG2-CE1 3.1Å; V106-H314 WeakPolarHBondContact CG2-ND1 3.04Å
107	D	39.5	Very low	34.3	Very low	29 Å²	29	81 Å²	81	16%	0.155	44%	0.439	C	S	.	.			trans	-89.8	96.1	165	-180	16.3	0	0	0	109.7	S109 L222 R283	D107-S109 VanDerWaalsContact C-N 3.27Å; D107-S109 VanDerWaalsContact CG-OG 3.31Å; D107-S109 WeakPolarHBondContact OD1-CB 3.02Å; D107-S109 PolarHBondContact OD1-N 2.67Å; D107-S109 PolarHBondContact OD1-OG 2.97Å; D107-S109 PolarHBondContact OD2-OG 3.32Å; D107-L222 HydrophobicContact CB-CD1 3.96Å; D107-R283 IonicContact OD2-CZ 2.71Å; D107-R283 IonicContact OD2-NH1 3.22Å; D107-R283 PolarHBondContact OD2-NH1 3.44Å
108	T	37.2	Very low	34.3	Very low	78 Å²	78	79.3 Å²	79.3	48%	0.479	44%	0.437	S	S	.	.			trans	-82.8	0.6	176.4	56.7	0	0	0	0	113.2	V106 Y110 E111	V106-T108 HydrophobicContact CG1-CG2 3.81Å; T108-Y110 PolarHBondContact O-N 2.96Å; T108-E111 PolarHBondContact O-N 3.45Å
109	S	33.2	Very low	34.5	Very low	90 Å²	90	76.4 Å²	76.4	63%	0.629	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-4.2	-172.6	70.9	0	0	0	0	114.7	D107	D107-S109 VanDerWaalsContact C-N 3.27Å; D107-S109 VanDerWaalsContact CG-OG 3.31Å; D107-S109 WeakPolarHBondContact OD1-CB 3.02Å; D107-S109 PolarHBondContact OD1-N 2.67Å; D107-S109 PolarHBondContact OD1-OG 2.97Å; D107-S109 PolarHBondContact OD2-OG 3.32Å
110	Y	37.3	Very low	34.7	Very low	118 Å²	118	76.8 Å²	76.8	46%	0.463	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	22.5	-173.3	-140.2	-118.1	0	0	0	115.4	T108 R112 T113	T108-Y110 PolarHBondContact O-N 2.96Å; Y110-R112 PolarHBondContact O-N 2.91Å; Y110-T113 HydrophobicContact CD1-CG2 3.78Å; Y110-T113 WeakPolarHBondContact CD1-OG1 3.43Å; Y110-T113 VanDerWaalsContact CE1-CB 3.45Å; Y110-T113 HydrophobicContact CE1-CG2 3.05Å; Y110-T113 WeakPolarHBondContact CE1-OG1 3.26Å; Y110-T113 HydrophobicContact CE2-CG2 3.95Å; Y110-T113 HydrophobicContact CG-CG2 4.48Å; Y110-T113 PolarHBondContact O-N 2.79Å; Y110-T113 VanDerWaalsContact OH-CG2 3.23Å; Y110-T113 WeakPolarHBondContact OH-CG2 3.26Å
111	E	31.9	Very low	34.8	Very low	130 Å²	130	78.5 Å²	78.5	61%	0.607	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-9.6	169.8	-79	-173	150.6	0	0	114.4	T108	T108-E111 PolarHBondContact O-N 3.45Å
112	R	32.3	Very low	35	Very low	151 Å²	151	84.1 Å²	84.1	57%	0.57	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-20.5	-174.4	-119	176.4	-83.7	-141.2	-3.5	116.3	Y110 D116	Y110-R112 PolarHBondContact O-N 2.91Å; R112-D116 PolarHBondContact O-N 2.95Å
113	T	36.5	Very low	34.8	Very low	52 Å²	52	91.6 Å²	91.6	32%	0.319	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-8.9	-171	50.6	0	0	0	0	117.6	Y110	Y110-T113 HydrophobicContact CD1-CG2 3.78Å; Y110-T113 WeakPolarHBondContact CD1-OG1 3.43Å; Y110-T113 VanDerWaalsContact CE1-CB 3.45Å; Y110-T113 HydrophobicContact CE1-CG2 3.05Å; Y110-T113 WeakPolarHBondContact CE1-OG1 3.26Å; Y110-T113 HydrophobicContact CE2-CG2 3.95Å; Y110-T113 HydrophobicContact CG-CG2 4.48Å; Y110-T113 PolarHBondContact O-N 2.79Å; Y110-T113 VanDerWaalsContact OH-CG2 3.23Å; Y110-T113 WeakPolarHBondContact OH-CG2 3.26Å
114	M	33	Very low	34.6	Very low	68 Å²	68	96.9 Å²	96.9	34%	0.335	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-7.9	165.9	-68.6	-161.8	-169.6	0	0	112.9	Y285 D289 Y353	M114-Y285 WeakPolarHBondContact CE-O 3.33Å; M114-D289 HydrophobicContact CE-CB 3.58Å; M114-Y353 HydrophobicContact SD-CE2 4.48Å
115	M	36.8	Very low	34.6	Very low	98 Å²	98	101 Å²	101	48%	0.483	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	-25.6	-179.9	-69.3	-166.4	175	0	0	114
116	D	33	Very low	33.9	Very low	38 Å²	38	108.5 Å²	108.5	20%	0.203	54%	0.537	C	S	.	.	S	Bend	trans	-141.8	92.1	-178.6	-67	-48.7	0	0	0	112.1	R112 R908 H919	R112-D116 PolarHBondContact O-N 2.95Å; D116-R908 IonicContact OD1-CZ 2.72Å; D116-R908 IonicContact OD1-NH1 2.97Å; D116-R908 IonicContact OD1-NH2 2.67Å; D116-R908 PolarHBondContact OD1-NH2 2.82Å; D116-H919 IonicContact OD2-CD2 2.69Å
117	D	35.3	Very low	33.6	Very low	46 Å²	46	111.1 Å²	111.1	25%	0.246	57%	0.568	C	S	.	*			trans	156.5	101	141.1	-172.1	12.3	0	0	0	113.3	T119 K120 R906	D117-T119 PolarHBondContact O-N 3.42Å; D117-T119 WeakPolarHBondContact OD1-CB 3.29Å; D117-T119 PolarHBondContact OD1-N 3.42Å; D117-T119 PolarHBondContact OD1-OG1 3.34Å; D117-K120 WeakPolarHBondContact OD2-CG 3.08Å; D117-R906 IonicContact OD1-CZ 2.6Å; D117-R906 IonicContact OD1-NH1 3.1Å; D117-R906 IonicContact OD1-NH2 2.71Å; D117-R906 PolarHBondContact OD1-NH2 2.99Å
118	P	32.7	Very low	33.2	Very low	81 Å²	81	116.6 Å²	116.6	53%	0.526	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-72.9	-4.6	175.9	-13.3	28.3	0	0	0	115
119	T	33.1	Very low	32.7	Very low	69 Å²	69	116.6 Å²	116.6	42%	0.423	62%	0.618	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.2	-2.3	-161.3	62.6	0	0	0	0	116.2	D117 I121	D117-T119 PolarHBondContact O-N 3.42Å; D117-T119 WeakPolarHBondContact OD1-CB 3.29Å; D117-T119 PolarHBondContact OD1-N 3.42Å; D117-T119 PolarHBondContact OD1-OG1 3.34Å; T119-I121 PolarHBondContact O-N 2.92Å
120	K	33.9	Very low	32.6	Very low	167 Å²	167	115.7 Å²	115.7	73%	0.726	62%	0.622	S	S	*	*			trans	-89.4	11.1	179.3	-77.1	-176.1	-177.2	179.3	0	116.3	D117	D117-K120 WeakPolarHBondContact OD2-CG 3.08Å
121	I	35.7	Very low	32.5	Very low	124 Å²	124	116.4 Å²	116.4	64%	0.636	64%	0.642	S	S	*	*	S	Bend	trans	-104.6	103.5	175.8	-56.9	176.1	0	0	0	108.6	T119 K123	T119-I121 PolarHBondContact O-N 2.92Å; I121-K123 PolarHBondContact O-N 2.94Å
122	R	32.9	Very low	32.3	Very low	244 Å²	244	119 Å²	119	92%	0.921	65%	0.654	S	S	*	*			trans	-53	133	171.1	-89.3	179.2	165.1	-173.6	-4.7	110.3	M124	R122-M124 PolarHBondContact O-N 2.87Å
123	K	28.9	Very low	32.2	Very low	212 Å²	212	116.8 Å²	116.8	92%	0.922	66%	0.661	S	S	*	*			trans	-46.3	121.4	172.3	-66.1	176.3	176.3	179.8	0	111.4	I121	I121-K123 PolarHBondContact O-N 2.94Å
124	M	28.4	Very low	31.9	Very low	177 Å²	177	119.8 Å²	119.8	87%	0.872	68%	0.682	S	S	*	*			trans	-107.9	146.9	148.2	-96.7	-178.2	165.1	0	0	108.1	R122	R122-M124 PolarHBondContact O-N 2.87Å
125	P	32.4	Very low	31.7	Very low	129 Å²	129	123 Å²	123	84%	0.838	70%	0.704	S	S	*	*			trans	-74.1	142.7	-157.9	-6.5	22.8	0	0	0	112.6	G127	P125-G127 PolarHBondContact O-N 2.74Å
126	I	30.3	Very low	31.3	Very low	159 Å²	159	123.1 Å²	123.1	82%	0.815	71%	0.711	S	S	*	*			trans	-72.4	115.6	176	-65.7	165.6	0	0	0	108.9
127	G	31.1	Very low	31.3	Very low	74 Å²	74	127.2 Å²	127.2	76%	0.763	73%	0.73	S	S	*	*			trans	-84.7	138	158.3	0	0	0	0	0	110	P125	P125-G127 PolarHBondContact O-N 2.74Å
128	V	30.5	Very low	31.1	Very low	144 Å²	144	133 Å²	133	87%	0.873	76%	0.755	S	S	*	*			trans	-80.5	141.4	-160.9	173.9	0	0	0	0	113.7
129	G	28.3	Very low	31.6	Very low	78 Å²	78	133.6 Å²	133.6	80%	0.804	76%	0.761	S	S	*	*			trans	102.1	110.8	141.6	0	0	0	0	0	118.8
130	G	30.1	Very low	32.7	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	78%	0.781	S	S	*	*			trans	167.7	122.7	161.7	0	0	0	0	0	114
131	P	34.7	Very low	34.4	Very low	134 Å²	134	137.4 Å²	137.4	87%	0.87	78%	0.775	S	S	*	*			trans	-75.9	148.1	-171.3	24.8	-23	0	0	0	113.8	S133	P131-S133 PolarHBondContact O-N 2.81Å
132	Q	29.4	Very low	36.9	Very low	185 Å²	185	132 Å²	132	86%	0.864	75%	0.747	S	S	*	*			trans	-69.4	117.3	-174.6	-59.2	176.4	14.9	0	0	111.4
133	S	29.1	Very low	39.6	Very low	103 Å²	103	121.3 Å²	121.3	72%	0.72	71%	0.709	S	S	*	*			trans	-109.6	150	160.8	-86.4	0	0	0	0	110.1	P131 V135	P131-S133 PolarHBondContact O-N 2.81Å; S133-V135 PolarHBondContact O-N 2.9Å
134	P	29.7	Very low	42.5	Very low	116 Å²	116	111.2 Å²	111.2	75%	0.753	67%	0.665	S	S	*	*			trans	-66.4	125.4	-179.1	2.3	11.2	0	0	0	109.1	V136	P134-V136 PolarHBondContact O-N 3.43Å
135	V	29	Very low	45.4	Very low	134 Å²	134	102.8 Å²	102.8	81%	0.812	62%	0.623	S	S	*	*			trans	-68.8	96.7	179.9	-179.8	0	0	0	0	109.1	S133	S133-V135 PolarHBondContact O-N 2.9Å
136	V	28.1	Very low	48.3	Very low	101 Å²	101	96.7 Å²	96.7	61%	0.612	58%	0.584	S	S	*	*			trans	-71.7	119.8	161.5	-176.1	0	0	0	0	106.9	P134 H138	P134-V136 PolarHBondContact O-N 3.43Å; V136-H138 WeakPolarHBondContact CG1-CD2 3.4Å; V136-H138 PolarHBondContact O-N 2.79Å
137	M	34.1	Very low	51.2	Low	124 Å²	124	89.1 Å²	89.1	61%	0.611	55%	0.545	S	S	*	.			trans	-70.2	92	173.2	-84.6	-150.9	74.7	0	0	109.7
138	H	31.5	Very low	54.2	Low	167 Å²	167	85.6 Å²	85.6	77%	0.773	51%	0.509	S	S	*	.			trans	-122.8	94.7	166.3	-80.1	-52.2	0	0	0	109.6	V136	V136-H138 WeakPolarHBondContact CG1-CD2 3.4Å; V136-H138 PolarHBondContact O-N 2.79Å
139	S	41.4	Very low	57.2	Low	94 Å²	94	78.7 Å²	78.7	66%	0.657	47%	0.467	S	S	*	.			trans	177.4	117.2	155.4	173.9	0	0	0	0	108.8	K141	S139-K141 VanDerWaalsContact C-N 3.34Å; S139-K141 PolarHBondContact O-N 2.79Å
140	E	56.7	Low	60.4	Low	180 Å²	180	75 Å²	75	84%	0.841	43%	0.429	S	S	*	.			trans	-80.4	5.5	-164.1	-66	-179.4	144.9	0	0	116
141	K	69.6	Low	63.4	Low	137 Å²	137	71.7 Å²	71.7	60%	0.596	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.2	128.7	-174.2	-64.5	-174.8	178.9	-174.4	0	112.1	S139	S139-K141 VanDerWaalsContact C-N 3.34Å; S139-K141 PolarHBondContact O-N 2.79Å
142	L	88.5	Confident	66.1	Low	11 Å²	11	66.8 Å²	66.8	6%	0.058	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	143.1	169.2	-63.3	178.3	0	0	0	109.3	P192 Q193 L194 E195 F350 L354 L365 I366	L142-P192 HydrophobicContact CD1-CB 4.4Å; L142-P192 HydrophobicContact CD1-CG 3.59Å; L142-P192 HydrophobicContact CG-CG 4.18Å; L142-Q193 PolarHBondContact N-O 2.73Å; L142-Q193 VanDerWaalsContact N-O 3.08Å; L142-L194 HydrophobicContact CB-CD1 3.7Å; L142-E195 PolarHBondContact O-N 3.37Å; L142-F350 HydrophobicContact CD1-CZ 4.13Å; L142-L354 HydrophobicContact CD1-CD1 3.57Å; L142-L354 HydrophobicContact CD1-CD2 3.63Å; L142-L354 HydrophobicContact CD1-CG 4.26Å; L142-L365 WeakPolarHBondContact CA-O 3.09Å; L142-L365 HydrophobicContact CB-CB 4.23Å; L142-L365 HydrophobicContact CD2-CB 4.25Å; L142-I366 HydrophobicContact CD2-CG1 4.07Å
143	T	88.7	Confident	69	Low	18 Å²	18	60.9 Å²	60.9	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	130.9	175.1	-53.4	0	0	0	0	109.8	E195 L365 A368 V372	T143-E195 CarbonylContact C-O 3.59Å; T143-E195 VanDerWaalsContact CA-O 3.25Å; T143-E195 WeakPolarHBondContact CA-O 3.23Å; T143-L365 PolarHBondContact N-O 3.31Å; T143-L365 CarbonylContact O-C 3.16Å; T143-L365 VanDerWaalsContact O-CA 3.26Å; T143-L365 WeakPolarHBondContact O-CA 3.43Å; T143-A368 HydrophobicContact CG2-CB 4.02Å; T143-V372 HydrophobicContact CG2-CG2 4.18Å
144	M	90.6	Very high	71.9	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114	173	-174.3	-176.7	-71.3	0	0	109.7	I146 L194 E195 F196 S197 D242 F243 V287 I312 L316 L365	M144-I146 HydrophobicContact CB-CG2 4.46Å; M144-I146 HydrophobicContact CG-CG2 3.72Å; M144-I146 PolarHBondContact O-N 2.88Å; M144-I146 HydrophobicContact SD-CG2 3.82Å; M144-L194 HydrophobicContact CB-CD1 4.14Å; M144-L194 HydrophobicContact CE-CD2 3.94Å; M144-E195 PolarHBondContact N-O 3.29Å; M144-F196 HydrophobicContact CB-CD1 4.09Å; M144-F196 HydrophobicContact CB-CE1 4.34Å; M144-F196 HydrophobicContact CE-CE1 4.47Å; M144-F196 HydrophobicContact CG-CD1 4.45Å; M144-F196 WeakPolarHBondContact O-CA 3.41Å; M144-F196 HydrophobicContact SD-CD1 4.08Å; M144-F196 HydrophobicContact SD-CE1 3.67Å; M144-S197 PolarHBondContact O-N 2.85Å; M144-D242 HydrophobicContact CG-CB 4.13Å; M144-F243 HydrophobicContact CG-CB 4.23Å; M144-F243 HydrophobicContact SD-CB 3.8Å; M144-F243 HydrophobicContact SD-CD1 4.2Å; M144-F243 HydrophobicContact SD-CG 4.3Å; M144-V287 HydrophobicContact CE-CB 4.43Å; M144-V287 HydrophobicContact CE-CG1 3.84Å; M144-V287 HydrophobicContact CE-CG2 3.67Å; M144-I312 HydrophobicContact CE-CG2 4.05Å; M144-I312 HydrophobicContact SD-CG2 4.26Å; M144-L316 HydrophobicContact CE-CD1 4.35Å; M144-L316 HydrophobicContact CE-CD2 3.71Å; M144-L316 HydrophobicContact CE-CG 4.14Å; M144-L365 HydrophobicContact CB-CD2 3.84Å; M144-L365 HydrophobicContact CE-CD2 4.15Å; M144-L365 HydrophobicContact CG-CD2 3.98Å
145	E	89.7	Confident	74.8	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	113.7	172.8	-63.7	-176.3	150.5	0	0	109.7	S197 V199 D242 F243 Q369 F370	E145-S197 CarbonylContact C-O 3.56Å; E145-S197 WeakPolarHBondContact CA-O 3.02Å; E145-V199 HydrophobicContact CB-CG1 3.81Å; E145-V199 HydrophobicContact CB-CG2 4.19Å; E145-V199 HydrophobicContact CG-CG1 4.01Å; E145-D242 PolarHBondContact N-OD2 3.43Å; E145-D242 WeakPolarHBondContact O-CA 3.44Å; E145-D242 WeakPolarHBondContact O-CB 3.39Å; E145-D242 PolarHBondContact O-N 2.02Å; E145-F243 PolarHBondContact O-N 3.1Å; E145-Q369 WeakPolarHBondContact OE1-CA 3.41Å; E145-Q369 PolarHBondContact OE1-N 2.88Å; E145-F370 WeakPolarHBondContact OE1-CD2 3.45Å; E145-F370 PolarHBondContact OE1-N 3.38Å
146	I	92.1	Very high	77.6	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.2	-174	62.8	171	0	0	0	113.5	M144 I148 I178 F196 S197 V198 V199 R200 F243 L245	M144-I146 HydrophobicContact CB-CG2 4.46Å; M144-I146 HydrophobicContact CG-CG2 3.72Å; M144-I146 PolarHBondContact O-N 2.88Å; M144-I146 HydrophobicContact SD-CG2 3.82Å; I146-I148 HydrophobicContact CD1-CD1 4.25Å; I146-I148 HydrophobicContact CD1-CG1 4.31Å; I146-I178 HydrophobicContact CD1-CD1 4.02Å; I146-I178 HydrophobicContact CD1-CG2 3.98Å; I146-F196 HydrophobicContact CD1-CB 4.27Å; I146-F196 HydrophobicContact CD1-CD1 4.33Å; I146-F196 HydrophobicContact CG2-CD1 3.95Å; I146-S197 PolarHBondContact N-O 2.91Å; I146-V198 HydrophobicContact CD1-CG2 3.95Å; I146-V198 HydrophobicContact CG1-CB 4.44Å; I146-V198 HydrophobicContact CG1-CG2 3.98Å; I146-V199 WeakPolarHBondContact O-CG2 3.38Å; I146-V199 PolarHBondContact O-N 2.8Å; I146-R200 PolarHBondContact O-N 2.84Å; I146-F243 VanDerWaalsContact CA-O 3.29Å; I146-F243 WeakPolarHBondContact CA-O 3.4Å; I146-F243 HydrophobicContact CG2-CB 4.43Å; I146-L245 HydrophobicContact CB-CD1 3.6Å; I146-L245 HydrophobicContact CD1-CD1 4.04Å; I146-L245 HydrophobicContact CG1-CD1 4.32Å; I146-L245 HydrophobicContact CG2-CD1 3.98Å
147	A	91.8	Very high	80.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.1	170.7	0	0	0	0	0	110.6	F149 R200 W241 F243 A244 L245	A147-F149 HydrophobicContact CB-CE2 3.68Å; A147-F149 HydrophobicContact CB-CZ 4.22Å; A147-R200 HydrophobicContact CB-CB 3.86Å; A147-W241 HydrophobicContact CB-CB 4.1Å; A147-W241 HydrophobicContact CB-CD2 3.46Å; A147-W241 VanDerWaalsContact CB-CD2 3.46Å; A147-W241 HydrophobicContact CB-CE3 3.81Å; A147-W241 HydrophobicContact CB-CG 3.59Å; A147-W241 HydrophobicContact CB-CZ3 4.47Å; A147-F243 PolarHBondContact N-O 2.69Å; A147-A244 CarbonylContact O-C 3.5Å; A147-A244 WeakPolarHBondContact O-CA 3.49Å; A147-L245 PolarHBondContact O-N 2.82Å
148	I	93.5	Very high	82.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	128.2	-176.8	-58.5	164.5	0	0	0	109.2	I146 M174 I178 V198 R200 F201 E202 L245 F247	I146-I148 HydrophobicContact CD1-CD1 4.25Å; I146-I148 HydrophobicContact CD1-CG1 4.31Å; I148-M174 HydrophobicContact CG2-SD 4.36Å; I148-I178 HydrophobicContact CD1-CD1 4.03Å; I148-I178 HydrophobicContact CD1-CG1 3.62Å; I148-V198 HydrophobicContact CD1-CB 4.49Å; I148-V198 HydrophobicContact CD1-CG1 3.76Å; I148-V198 HydrophobicContact CD1-CG2 3.85Å; I148-V198 HydrophobicContact CG1-CG1 4.44Å; I148-R200 PolarHBondContact N-O 2.71Å; I148-F201 HydrophobicContact CB-CD2 3.86Å; I148-F201 HydrophobicContact CD1-CD2 4.39Å; I148-F201 HydrophobicContact CG2-CD2 3.71Å; I148-F201 HydrophobicContact CG2-CE2 3.86Å; I148-F201 CarbonylContact O-C 3.56Å; I148-F201 WeakPolarHBondContact O-CA 3.43Å; I148-E202 PolarHBondContact O-N 3.04Å; I148-L245 HydrophobicContact CG1-CD1 4.19Å; I148-F247 HydrophobicContact CG2-CD2 3.94Å; I148-F247 HydrophobicContact CG2-CE2 4.02Å
149	F	95.4	Very high	85.6	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	136	176.2	-60.6	-90.9	0	0	0	109.3	A147 E202 F204 F228 Y231 L235 W241 A244 L245 L246 F247	A147-F149 HydrophobicContact CB-CE2 3.68Å; A147-F149 HydrophobicContact CB-CZ 4.22Å; F149-E202 CarbonylContact C-O 3.55Å; F149-E202 VanDerWaalsContact CA-O 3.29Å; F149-E202 WeakPolarHBondContact CA-O 3.33Å; F149-E202 HydrophobicContact CD1-CB 3.9Å; F149-E202 HydrophobicContact CD1-CG 4.44Å; F149-E202 HydrophobicContact CE1-CB 4.14Å; F149-F204 HydrophobicContact CB-CE2 4.18Å; F149-F204 HydrophobicContact CB-CZ 4.17Å; F149-F204 AromaticContact CD1-CE1 3.96Å; F149-F204 HydrophobicContact CD1-CE1 3.96Å; F149-F204 HydrophobicContact CD1-CE2 4.3Å; F149-F204 AromaticContact CD1-CZ 3.46Å; F149-F204 HydrophobicContact CD1-CZ 3.46Å; F149-F204 VanDerWaalsContact CD1-CZ 3.46Å; F149-F204 HydrophobicContact CE1-CZ 4.27Å; F149-F204 HydrophobicContact CG-CZ 4.18Å; F149-F228 HydrophobicContact CB-CE2 4.13Å; F149-F228 HydrophobicContact CB-CZ 4.45Å; F149-F228 AromaticContact CD2-CE2 3.63Å; F149-F228 HydrophobicContact CD2-CE2 3.63Å; F149-F228 AromaticContact CD2-CZ 3.57Å; F149-F228 HydrophobicContact CD2-CZ 3.57Å; F149-F228 HydrophobicContact CE2-CE2 4.21Å; F149-F228 HydrophobicContact CE2-CZ 4.14Å; F149-F228 AromaticContact CG-CE2 3.91Å; F149-F228 HydrophobicContact CG-CE2 3.91Å; F149-F228 HydrophobicContact CG-CZ 4.24Å; F149-Y231 HydrophobicContact CE1-CE1 4.27Å; F149-L235 HydrophobicContact CE1-CD2 3.72Å; F149-L235 HydrophobicContact CZ-CD2 3.74Å; F149-W241 HydrophobicContact CZ-CH2 4.44Å; F149-W241 HydrophobicContact CZ-CZ2 4.37Å; F149-A244 HydrophobicContact CE2-CB 4.12Å; F149-L245 PolarHBondContact N-O 3.4Å; F149-L246 HydrophobicContact CB-CD1 3.78Å; F149-L246 CarbonylContact O-C 3.49Å; F149-L246 WeakPolarHBondContact O-CA 3.1Å; F149-F247 PolarHBondContact O-N 2.04Å
150	V	94.6	Very high	87.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.6	172.9	176.4	0	0	0	0	109.1	L154 L170 M174 F201 E202 V203 F204 F247	V150-L154 HydrophobicContact CG1-CB 3.74Å; V150-L154 HydrophobicContact CG1-CD2 3.69Å; V150-L154 HydrophobicContact CG1-CG 3.84Å; V150-L170 HydrophobicContact CB-CD2 4.3Å; V150-L170 HydrophobicContact CG1-CD1 4.21Å; V150-L170 HydrophobicContact CG1-CD2 3.73Å; V150-L170 HydrophobicContact CG1-CG 4.45Å; V150-L170 HydrophobicContact CG2-CD2 4.39Å; V150-M174 HydrophobicContact CG2-CG 4.08Å; V150-M174 HydrophobicContact CG2-SD 3.85Å; V150-F201 HydrophobicContact CG2-CE2 4.29Å; V150-F201 HydrophobicContact CG2-CZ 4.43Å; V150-E202 PolarHBondContact N-O 2.02Å; V150-V203 HydrophobicContact CB-CB 4.46Å; V150-V203 HydrophobicContact CB-CG1 4.3Å; V150-V203 HydrophobicContact CB-CG2 4.18Å; V150-V203 HydrophobicContact CG1-CG1 4.39Å; V150-V203 HydrophobicContact CG2-CG2 4.36Å; V150-F204 WeakPolarHBondContact O-CB 3.3Å; V150-F204 PolarHBondContact O-N 3.39Å; V150-F247 HydrophobicContact CG2-CB 4.44Å
151	D	93	Very high	88.8	Confident	0 Å²	0	36 Å²	36	0%	0	16%	0.162	C	C	.	.			trans	-75.7	166.5	179.3	83.8	0.1	0	0	0	114.1	E153 L154 W155 Y224 L246 F247 S248 G249 Y250	D151-E153 VanDerWaalsContact C-N 3.3Å; D151-E153 PolarHBondContact O-N 2.92Å; D151-E153 PolarHBondContact OD1-N 3.2Å; D151-L154 PolarHBondContact O-N 3.44Å; D151-L154 PolarHBondContact OD1-N 2.84Å; D151-W155 PolarHBondContact O-N 3.43Å; D151-W155 VanDerWaalsContact O-N 3.14Å; D151-Y224 VanDerWaalsContact CB-OH 3.25Å; D151-Y224 WeakPolarHBondContact CB-OH 3.37Å; D151-Y224 PolarHBondContact OD2-OH 3.48Å; D151-L246 HydrophobicContact CB-CD1 4.24Å; D151-F247 PolarHBondContact N-O 2.73Å; D151-S248 WeakPolarHBondContact OD1-CA 3.43Å; D151-S248 WeakPolarHBondContact OD2-CA 3.45Å; D151-S248 VanDerWaalsContact OD2-CB 3.24Å; D151-S248 WeakPolarHBondContact OD2-CB 3.46Å; D151-S248 PolarHBondContact OD2-OG 3.04Å; D151-G249 PolarHBondContact OD1-N 2.84Å; D151-Y250 WeakPolarHBondContact OD2-CD2 2.97Å
152	N	91.9	Very high	89.5	Confident	31 Å²	31	33 Å²	33	17%	0.166	15%	0.147	C	C	.	.	H	α-helix	trans	-63.3	-35.9	-177.7	-174.7	-131.2	0	0	0	113.5	L154 W155 L156 F204 K205 Q207	N152-L154 VanDerWaalsContact C-N 3.33Å; N152-L154 PolarHBondContact O-N 3.3Å; N152-W155 PolarHBondContact O-N 3.36Å; N152-L156 WeakPolarHBondContact O-CB 3.14Å; N152-L156 VanDerWaalsContact O-CG 3.27Å; N152-L156 WeakPolarHBondContact O-CG 3.47Å; N152-L156 PolarHBondContact O-N 2.74Å; N152-F204 WeakPolarHBondContact CA-O 3.49Å; N152-F204 VanDerWaalsContact CB-O 3.25Å; N152-F204 WeakPolarHBondContact CB-O 3Å; N152-F204 PolarHBondContact N-O 3.48Å; N152-F204 PolarHBondContact ND2-O 2.94Å; N152-F204 VanDerWaalsContact ND2-O 3.13Å; N152-K205 PolarHBondContact ND2-O 2.97Å; N152-Q207 HydrophobicContact CB-CB 4.06Å
153	E	89.1	Confident	89.4	Confident	61 Å²	61	34.5 Å²	34.5	29%	0.285	17%	0.165	S	C	.	.	H	α-helix	trans	-64.5	-39.3	179.9	-67.5	-59.5	147.8	0	0	111.8	D151 K157 Y250	D151-E153 VanDerWaalsContact C-N 3.3Å; D151-E153 PolarHBondContact O-N 2.92Å; D151-E153 PolarHBondContact OD1-N 3.2Å; E153-K157 WeakPolarHBondContact O-CG 3.5Å; E153-K157 PolarHBondContact O-N 3.43Å; E153-Y250 HydrophobicContact CB-CD2 4.36Å; E153-Y250 HydrophobicContact CB-CE2 4.49Å; E153-Y250 HydrophobicContact CG-CD1 3.88Å; E153-Y250 HydrophobicContact CG-CD2 3.85Å; E153-Y250 HydrophobicContact CG-CE1 3.68Å; E153-Y250 HydrophobicContact CG-CE2 3.65Å; E153-Y250 HydrophobicContact CG-CG 3.95Å
154	L	90	Very high	89.2	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-68.9	-44.1	175.6	-174.8	53.1	0	0	0	111.3	V150 D151 N152 L156 K157 Y158 L170 F247 G299 T300	V150-L154 HydrophobicContact CG1-CB 3.74Å; V150-L154 HydrophobicContact CG1-CD2 3.69Å; V150-L154 HydrophobicContact CG1-CG 3.84Å; D151-L154 PolarHBondContact O-N 3.44Å; D151-L154 PolarHBondContact OD1-N 2.84Å; N152-L154 VanDerWaalsContact C-N 3.33Å; N152-L154 PolarHBondContact O-N 3.3Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 2.79Å; L154-K157 WeakPolarHBondContact O-CB 3.34Å; L154-K157 PolarHBondContact O-N 3Å; L154-K157 VanDerWaalsContact O-N 3.15Å; L154-Y158 HydrophobicContact CD1-CD2 4.01Å; L154-Y158 HydrophobicContact CD1-CE2 3.88Å; L154-Y158 HydrophobicContact CG-CD2 4.45Å; L154-Y158 PolarHBondContact O-N 3.14Å; L154-Y158 VanDerWaalsContact O-N 3.15Å; L154-L170 HydrophobicContact CD2-CD1 4.17Å; L154-L170 HydrophobicContact CG-CD1 4.1Å; L154-F247 HydrophobicContact CD2-CB 3.95Å; L154-G299 VanDerWaalsContact CD1-O 3.26Å; L154-G299 WeakPolarHBondContact CD1-O 3.32Å; L154-G299 WeakPolarHBondContact CD2-O 3.45Å; L154-T300 HydrophobicContact CD1-CG2 4.49Å
155	W	92.2	Very high	89	Confident	45 Å²	45	40.6 Å²	40.6	17%	0.17	22%	0.218	C	C	.	.	H	α-helix	trans	-59	-43.8	175.8	-179.4	76.5	0	0	0	112.1	D151 N152 K157 Y158 S159 D167 V203 K205	D151-W155 PolarHBondContact O-N 3.43Å; D151-W155 VanDerWaalsContact O-N 3.14Å; N152-W155 PolarHBondContact O-N 3.36Å; W155-K157 VanDerWaalsContact C-N 3.29Å; W155-K157 PolarHBondContact O-N 2.76Å; W155-Y158 PolarHBondContact O-N 3.48Å; W155-Y158 VanDerWaalsContact O-N 3.17Å; W155-S159 VanDerWaalsContact O-CB 3.31Å; W155-S159 WeakPolarHBondContact O-CB 2.99Å; W155-S159 PolarHBondContact O-N 3.48Å; W155-D167 PolarHBondContact NE1-OD1 2.8Å; W155-V203 HydrophobicContact CB-CG1 3.97Å; W155-V203 VanDerWaalsContact CD1-CG1 3.48Å; W155-V203 HydrophobicContact CG-CG1 3.92Å; W155-K205 HydrophobicContact CD2-CB 4.35Å; W155-K205 HydrophobicContact CD2-CG 4.05Å; W155-K205 HydrophobicContact CE3-CB 4.41Å; W155-K205 HydrophobicContact CG-CG 4.45Å; W155-K205 HydrophobicContact CH2-CB 4.45Å; W155-K205 HydrophobicContact CH2-CG 4.49Å; W155-K205 HydrophobicContact CZ2-CB 4.39Å; W155-K205 HydrophobicContact CZ2-CD 3.88Å; W155-K205 HydrophobicContact CZ2-CG 3.95Å; W155-K205 HydrophobicContact CZ3-CB 4.46Å
156	L	87.9	Confident	88.9	Confident	50 Å²	50	40.7 Å²	40.7	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-62.1	-34.1	176.8	-74.3	172.8	0	0	0	112.7	N152 L154 R160	N152-L156 WeakPolarHBondContact O-CB 3.14Å; N152-L156 VanDerWaalsContact O-CG 3.27Å; N152-L156 WeakPolarHBondContact O-CG 3.47Å; N152-L156 PolarHBondContact O-N 2.74Å; L154-L156 VanDerWaalsContact C-N 3.33Å; L154-L156 PolarHBondContact O-N 2.79Å; L156-R160 WeakPolarHBondContact O-CB 3.34Å; L156-R160 WeakPolarHBondContact O-CG 3.06Å; L156-R160 PolarHBondContact O-N 3Å; L156-R160 PolarHBondContact O-NE 2.99Å
157	K	84.6	Confident	88.7	Confident	52 Å²	52	43.5 Å²	43.5	23%	0.226	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-45	173.5	-76.1	176.3	173.5	175.1	0	111.7	E153 L154 W155 K161 G249 T300	E153-K157 WeakPolarHBondContact O-CG 3.5Å; E153-K157 PolarHBondContact O-N 3.43Å; L154-K157 WeakPolarHBondContact O-CB 3.34Å; L154-K157 PolarHBondContact O-N 3Å; L154-K157 VanDerWaalsContact O-N 3.15Å; W155-K157 VanDerWaalsContact C-N 3.29Å; W155-K157 PolarHBondContact O-N 2.76Å; K157-K161 WeakPolarHBondContact O-CB 3.18Å; K157-K161 PolarHBondContact O-N 2.86Å; K157-G249 WeakPolarHBondContact CE-O 3.06Å; K157-G249 PolarHBondContact NZ-O 3.49Å; K157-T300 HydrophobicContact CD-CG2 4.37Å
158	Y	87.7	Confident	88.5	Confident	18 Å²	18	49.9 Å²	49.9	7%	0.071	26%	0.264	C	S	.	.	H	α-helix	trans	-68	-40.7	176.8	-87.9	-106.4	0	0	0	111.8	L154 W155 R160 K161 Y162 K169 L170 F173	L154-Y158 HydrophobicContact CD1-CD2 4.01Å; L154-Y158 HydrophobicContact CD1-CE2 3.88Å; L154-Y158 HydrophobicContact CG-CD2 4.45Å; L154-Y158 PolarHBondContact O-N 3.14Å; L154-Y158 VanDerWaalsContact O-N 3.15Å; W155-Y158 PolarHBondContact O-N 3.48Å; W155-Y158 VanDerWaalsContact O-N 3.17Å; Y158-R160 PolarHBondContact O-N 2.83Å; Y158-K161 PolarHBondContact O-N 2.77Å; Y158-K161 VanDerWaalsContact O-N 3.15Å; Y158-Y162 AromaticContact CD1-CD2 3.63Å; Y158-Y162 HydrophobicContact CD1-CD2 3.63Å; Y158-Y162 AromaticContact CD1-CE2 3.66Å; Y158-Y162 HydrophobicContact CD1-CE2 3.66Å; Y158-Y162 HydrophobicContact CE1-CD2 4.24Å; Y158-Y162 AromaticContact CE1-CE2 3.8Å; Y158-Y162 HydrophobicContact CE1-CE2 3.8Å; Y158-Y162 HydrophobicContact CG-CD2 4.25Å; Y158-Y162 HydrophobicContact CG-CE2 4.4Å; Y158-Y162 WeakPolarHBondContact O-CB 2.9Å; Y158-Y162 PolarHBondContact O-N 3.28Å; Y158-K169 HydrophobicContact CD1-CB 4Å; Y158-K169 HydrophobicContact CE1-CB 4.14Å; Y158-L170 HydrophobicContact CD1-CB 3.85Å; Y158-L170 HydrophobicContact CD1-CD1 4.39Å; Y158-L170 HydrophobicContact CD2-CD1 3.92Å; Y158-L170 HydrophobicContact CE1-CB 4.24Å; Y158-L170 HydrophobicContact CE1-CD1 4.38Å; Y158-L170 HydrophobicContact CE2-CD1 3.91Å; Y158-L170 HydrophobicContact CG-CB 4.11Å; Y158-L170 HydrophobicContact CG-CD1 4.17Å; Y158-F173 HydrophobicContact CE1-CB 4.38Å; Y158-F173 WeakPolarHBondContact OH-CB 3.43Å; Y158-F173 WeakPolarHBondContact OH-CD1 3.38Å; Y158-F173 WeakPolarHBondContact OH-CG 2.98Å
159	S	88.8	Confident	88.2	Confident	38 Å²	38	53.8 Å²	53.8	27%	0.266	28%	0.281	S	S	.	.	H	α-helix	trans	-57.7	-46.9	175.1	-176.8	0	0	0	0	112	W155 K161 G163	W155-S159 VanDerWaalsContact O-CB 3.31Å; W155-S159 WeakPolarHBondContact O-CB 2.99Å; W155-S159 PolarHBondContact O-N 3.48Å; S159-K161 VanDerWaalsContact C-N 3.32Å; S159-K161 PolarHBondContact O-N 3.47Å; S159-G163 VanDerWaalsContact O-CA 3.24Å; S159-G163 WeakPolarHBondContact O-CA 3.42Å; S159-G163 PolarHBondContact O-N 2.84Å
160	R	86	Confident	88	Confident	169 Å²	169	53.8 Å²	53.8	64%	0.638	28%	0.281	S	S	*	.	H	α-helix	trans	-64.2	-32.9	175.4	-74.8	-175.1	-65.8	-98.1	-1	113.8	L156 Y158	L156-R160 WeakPolarHBondContact O-CB 3.34Å; L156-R160 WeakPolarHBondContact O-CG 3.06Å; L156-R160 PolarHBondContact O-N 3Å; L156-R160 PolarHBondContact O-NE 2.99Å; Y158-R160 PolarHBondContact O-N 2.83Å
161	K	79.3	Confident	87.7	Confident	125 Å²	125	56 Å²	56	54%	0.543	29%	0.294	S	S	.	.	H	α-helix	trans	-86.7	-37	-175.4	-173.1	175.2	178.4	-167.4	0	113.3	K157 Y158 S159	K157-K161 WeakPolarHBondContact O-CB 3.18Å; K157-K161 PolarHBondContact O-N 2.86Å; Y158-K161 PolarHBondContact O-N 2.77Å; Y158-K161 VanDerWaalsContact O-N 3.15Å; S159-K161 VanDerWaalsContact C-N 3.32Å; S159-K161 PolarHBondContact O-N 3.47Å
162	Y	83.6	Confident	87.5	Confident	72 Å²	72	58.3 Å²	58.3	28%	0.282	31%	0.306	S	S	.	.	H	α-helix	trans	-120.1	-2.9	-169.5	-60	-69.3	0	0	0	113.5	Y158 A164 A165 K169	Y158-Y162 AromaticContact CD1-CD2 3.63Å; Y158-Y162 HydrophobicContact CD1-CD2 3.63Å; Y158-Y162 AromaticContact CD1-CE2 3.66Å; Y158-Y162 HydrophobicContact CD1-CE2 3.66Å; Y158-Y162 HydrophobicContact CE1-CD2 4.24Å; Y158-Y162 AromaticContact CE1-CE2 3.8Å; Y158-Y162 HydrophobicContact CE1-CE2 3.8Å; Y158-Y162 HydrophobicContact CG-CD2 4.25Å; Y158-Y162 HydrophobicContact CG-CE2 4.4Å; Y158-Y162 WeakPolarHBondContact O-CB 2.9Å; Y158-Y162 PolarHBondContact O-N 3.28Å; Y162-A164 PolarHBondContact O-N 2.98Å; Y162-A165 PolarHBondContact O-N 2.78Å; Y162-K169 HydrophobicContact CD1-CG 3.93Å; Y162-K169 HydrophobicContact CD2-CB 3.92Å; Y162-K169 HydrophobicContact CD2-CG 4.18Å; Y162-K169 HydrophobicContact CE1-CG 4.26Å; Y162-K169 HydrophobicContact CE2-CB 4.17Å; Y162-K169 HydrophobicContact CE2-CG 4.5Å; Y162-K169 HydrophobicContact CG-CB 4.13Å; Y162-K169 HydrophobicContact CG-CG 3.88Å
163	G	86.7	Confident	87.5	Confident	43 Å²	43	56.9 Å²	56.9	44%	0.443	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	55.9	-124	179.5	0	0	0	0	0	111.9	S159 A165 A166	S159-G163 VanDerWaalsContact O-CA 3.24Å; S159-G163 WeakPolarHBondContact O-CA 3.42Å; S159-G163 PolarHBondContact O-N 2.84Å; G163-A165 PolarHBondContact O-N 2.02Å; G163-A166 VanDerWaalsContact O-CB 3.25Å; G163-A166 WeakPolarHBondContact O-CB 3.35Å; G163-A166 PolarHBondContact O-N 3.44Å
164	A	85.5	Confident	87.6	Confident	111 Å²	111	54 Å²	54	92%	0.917	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-61	-26	179.8	0	0	0	0	0	113.9	Y162 A166	Y162-A164 PolarHBondContact O-N 2.98Å; A164-A166 VanDerWaalsContact C-N 3.27Å; A164-A166 PolarHBondContact O-N 2.82Å
165	A	86.3	Confident	87.5	Confident	35 Å²	35	57.4 Å²	57.4	29%	0.289	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-84.5	6.1	-179.8	0	0	0	0	0	113.7	Y162 G163 D167 E168 K169	Y162-A165 PolarHBondContact O-N 2.78Å; G163-A165 PolarHBondContact O-N 2.02Å; A165-D167 PolarHBondContact O-N 3.31Å; A165-E168 PolarHBondContact O-N 3.34Å; A165-K169 HydrophobicContact CB-CG 4.45Å; A165-K169 WeakPolarHBondContact O-CB 3.29Å; A165-K169 WeakPolarHBondContact O-CG 3.43Å; A165-K169 PolarHBondContact O-N 2.81Å
166	A	86.5	Confident	87.4	Confident	3 Å²	3	55.4 Å²	55.4	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-43.6	-174.1	0	0	0	0	0	114.2	G163 A164 L170	G163-A166 VanDerWaalsContact O-CB 3.25Å; G163-A166 WeakPolarHBondContact O-CB 3.35Å; G163-A166 PolarHBondContact O-N 3.44Å; A164-A166 VanDerWaalsContact C-N 3.27Å; A164-A166 PolarHBondContact O-N 2.82Å; A166-L170 WeakPolarHBondContact O-CB 3.14Å; A166-L170 PolarHBondContact O-N 2.87Å
167	D	87.9	Confident	87.7	Confident	59 Å²	59	53 Å²	53	32%	0.316	28%	0.284	S	S	.	.	H	α-helix	trans	-65.8	-42.4	-179.5	-69.1	-18.1	0	0	0	111.2	W155 A165 T171 K205	W155-D167 PolarHBondContact NE1-OD1 2.8Å; A165-D167 PolarHBondContact O-N 3.31Å; D167-T171 VanDerWaalsContact O-CB 3.31Å; D167-T171 WeakPolarHBondContact O-CB 3.39Å; D167-T171 PolarHBondContact O-N 2.86Å; D167-T171 PolarHBondContact O-OG1 2.98Å; D167-K205 WeakPolarHBondContact OD1-CE 3.03Å; D167-K205 IonicContact OD1-NZ 3.98Å; D167-K205 WeakPolarHBondContact OD2-CE 3.42Å; D167-K205 IonicContact OD2-NZ 3.49Å; D167-K205 PolarHBondContact OD2-NZ 2.89Å
168	E	88	Confident	88	Confident	135 Å²	135	50.8 Å²	50.8	63%	0.631	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-51.6	176.5	-173.4	-165.9	148.3	0	0	110.7	A165 L170 T171 D172	A165-E168 PolarHBondContact O-N 3.34Å; E168-L170 VanDerWaalsContact C-N 3.34Å; E168-L170 PolarHBondContact O-N 2.76Å; E168-T171 PolarHBondContact O-N 2.91Å; E168-D172 VanDerWaalsContact O-CB 3.3Å; E168-D172 WeakPolarHBondContact O-CB 3.43Å; E168-D172 PolarHBondContact O-N 2.96Å
169	K	88	Confident	88.2	Confident	82 Å²	82	51.1 Å²	51.1	36%	0.357	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-37.4	-179.8	-68.8	-61.9	-178.2	-168.4	0	112.8	Y158 Y162 A165 F173	Y158-K169 HydrophobicContact CD1-CB 4Å; Y158-K169 HydrophobicContact CE1-CB 4.14Å; Y162-K169 HydrophobicContact CD1-CG 3.93Å; Y162-K169 HydrophobicContact CD2-CB 3.92Å; Y162-K169 HydrophobicContact CD2-CG 4.18Å; Y162-K169 HydrophobicContact CE1-CG 4.26Å; Y162-K169 HydrophobicContact CE2-CB 4.17Å; Y162-K169 HydrophobicContact CE2-CG 4.5Å; Y162-K169 HydrophobicContact CG-CB 4.13Å; Y162-K169 HydrophobicContact CG-CG 3.88Å; A165-K169 HydrophobicContact CB-CG 4.45Å; A165-K169 WeakPolarHBondContact O-CB 3.29Å; A165-K169 WeakPolarHBondContact O-CG 3.43Å; A165-K169 PolarHBondContact O-N 2.81Å; K169-F173 VanDerWaalsContact O-CB 3.32Å; K169-F173 WeakPolarHBondContact O-CB 3.3Å; K169-F173 PolarHBondContact O-N 2.73Å
170	L	89.8	Confident	88.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-43.1	176.7	179.9	63.1	0	0	0	111.3	V150 L154 Y158 A166 E168 D172 F173 M174 V203	V150-L170 HydrophobicContact CB-CD2 4.3Å; V150-L170 HydrophobicContact CG1-CD1 4.21Å; V150-L170 HydrophobicContact CG1-CD2 3.73Å; V150-L170 HydrophobicContact CG1-CG 4.45Å; V150-L170 HydrophobicContact CG2-CD2 4.39Å; L154-L170 HydrophobicContact CD2-CD1 4.17Å; L154-L170 HydrophobicContact CG-CD1 4.1Å; Y158-L170 HydrophobicContact CD1-CB 3.85Å; Y158-L170 HydrophobicContact CD1-CD1 4.39Å; Y158-L170 HydrophobicContact CD2-CD1 3.92Å; Y158-L170 HydrophobicContact CE1-CB 4.24Å; Y158-L170 HydrophobicContact CE1-CD1 4.38Å; Y158-L170 HydrophobicContact CE2-CD1 3.91Å; Y158-L170 HydrophobicContact CG-CB 4.11Å; Y158-L170 HydrophobicContact CG-CD1 4.17Å; A166-L170 WeakPolarHBondContact O-CB 3.14Å; A166-L170 PolarHBondContact O-N 2.87Å; E168-L170 VanDerWaalsContact C-N 3.34Å; E168-L170 PolarHBondContact O-N 2.76Å; L170-D172 VanDerWaalsContact C-N 3.33Å; L170-F173 PolarHBondContact O-N 2.95Å; L170-M174 HydrophobicContact CD1-CG 4.3Å; L170-M174 WeakPolarHBondContact O-CB 3.23Å; L170-M174 WeakPolarHBondContact O-CG 3.46Å; L170-M174 PolarHBondContact O-N 3.09Å; L170-V203 HydrophobicContact CD2-CB 4.5Å; L170-V203 HydrophobicContact CD2-CG1 3.68Å; L170-V203 HydrophobicContact CD2-CG2 3.94Å
171	T	89.4	Confident	88.8	Confident	47 Å²	47	41.3 Å²	41.3	29%	0.288	23%	0.234	S	C	.	.	H	α-helix	trans	-62.4	-43.7	175.7	-56.9	0	0	0	0	110.7	D167 E168 F173 M174 N175 F201	D167-T171 VanDerWaalsContact O-CB 3.31Å; D167-T171 WeakPolarHBondContact O-CB 3.39Å; D167-T171 PolarHBondContact O-N 2.86Å; D167-T171 PolarHBondContact O-OG1 2.98Å; E168-T171 PolarHBondContact O-N 2.91Å; T171-F173 PolarHBondContact O-N 3.42Å; T171-M174 PolarHBondContact O-N 3.25Å; T171-N175 WeakPolarHBondContact O-CB 3.34Å; T171-N175 VanDerWaalsContact O-CG 3.27Å; T171-N175 PolarHBondContact O-N 3.29Å; T171-N175 PolarHBondContact O-ND2 2.8Å; T171-F201 HydrophobicContact CG2-CE1 4.19Å
172	D	88.6	Confident	89.4	Confident	47 Å²	47	36 Å²	36	25%	0.251	21%	0.211	S	C	.	.	H	α-helix	trans	-62.1	-44.1	178.5	-167	69.1	0	0	0	112.5	E168 L170 T176 K384 Y385	E168-D172 VanDerWaalsContact O-CB 3.3Å; E168-D172 WeakPolarHBondContact O-CB 3.43Å; E168-D172 PolarHBondContact O-N 2.96Å; L170-D172 VanDerWaalsContact C-N 3.33Å; D172-T176 WeakPolarHBondContact O-CB 3.38Å; D172-T176 PolarHBondContact O-N 3.48Å; D172-T176 VanDerWaalsContact O-N 3.09Å; D172-T176 PolarHBondContact O-OG1 2.92Å; D172-K384 VanDerWaalsContact CG-CE 3.43Å; D172-K384 WeakPolarHBondContact OD1-CE 3.24Å; D172-K384 IonicContact OD1-NZ 2.9Å; D172-K384 PolarHBondContact OD1-NZ 3.2Å; D172-K384 WeakPolarHBondContact OD2-CE 3.25Å; D172-K384 IonicContact OD2-NZ 2.71Å; D172-K384 PolarHBondContact OD2-NZ 3.33Å; D172-K384 VanDerWaalsContact OD2-NZ 3.08Å; D172-Y385 PolarHBondContact OD2-OH 2.99Å
173	F	90.7	Very high	89.8	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.009	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-49.1	174	173	-106.6	0	0	0	111.6	Y158 K169 L170 T171 N175 T176 V177 G299 D301 F302 M393	Y158-F173 HydrophobicContact CE1-CB 4.38Å; Y158-F173 WeakPolarHBondContact OH-CB 3.43Å; Y158-F173 WeakPolarHBondContact OH-CD1 3.38Å; Y158-F173 WeakPolarHBondContact OH-CG 2.98Å; K169-F173 VanDerWaalsContact O-CB 3.32Å; K169-F173 WeakPolarHBondContact O-CB 3.3Å; K169-F173 PolarHBondContact O-N 2.73Å; L170-F173 PolarHBondContact O-N 2.95Å; T171-F173 PolarHBondContact O-N 3.42Å; F173-N175 PolarHBondContact O-N 2.86Å; F173-T176 WeakPolarHBondContact O-CB 3.48Å; F173-T176 PolarHBondContact O-N 2.75Å; F173-T176 VanDerWaalsContact O-N 3.13Å; F173-V177 HydrophobicContact CD1-CG2 4.44Å; F173-V177 HydrophobicContact CD2-CG2 4.39Å; F173-V177 HydrophobicContact CE1-CG2 4.05Å; F173-V177 HydrophobicContact CE2-CG2 4Å; F173-V177 HydrophobicContact CZ-CG2 3.81Å; F173-V177 WeakPolarHBondContact O-CG2 3.43Å; F173-V177 PolarHBondContact O-N 2.64Å; F173-G299 VanDerWaalsContact CE1-O 3.24Å; F173-G299 WeakPolarHBondContact CE1-O 3.29Å; F173-D301 WeakPolarHBondContact CZ-O 3.21Å; F173-F302 HydrophobicContact CD2-CD1 4.19Å; F173-F302 AromaticContact CD2-CE1 3.68Å; F173-F302 HydrophobicContact CD2-CE1 3.68Å; F173-F302 HydrophobicContact CD2-CZ 4.02Å; F173-F302 AromaticContact CE2-CD1 3.73Å; F173-F302 HydrophobicContact CE2-CD1 3.73Å; F173-F302 AromaticContact CE2-CE1 3.72Å; F173-F302 HydrophobicContact CE2-CE1 3.72Å; F173-F302 HydrophobicContact CE2-CG 4.25Å; F173-F302 HydrophobicContact CE2-CZ 4.26Å; F173-M393 HydrophobicContact CD2-SD 4.16Å; F173-M393 HydrophobicContact CE2-SD 4.23Å
174	M	91.6	Very high	90.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.8	-44.1	-180	-71.2	-74.2	106.5	0	0	112.4	I148 V150 L170 T171 T176 V177 I178 F201 F247	I148-M174 HydrophobicContact CG2-SD 4.36Å; V150-M174 HydrophobicContact CG2-CG 4.08Å; V150-M174 HydrophobicContact CG2-SD 3.85Å; L170-M174 HydrophobicContact CD1-CG 4.3Å; L170-M174 WeakPolarHBondContact O-CB 3.23Å; L170-M174 WeakPolarHBondContact O-CG 3.46Å; L170-M174 PolarHBondContact O-N 3.09Å; T171-M174 PolarHBondContact O-N 3.25Å; M174-T176 VanDerWaalsContact C-N 3.26Å; M174-T176 PolarHBondContact O-N 2.86Å; M174-V177 PolarHBondContact O-N 3.05Å; M174-I178 WeakPolarHBondContact O-CG1 3.09Å; M174-I178 PolarHBondContact O-N 3.19Å; M174-F201 HydrophobicContact CB-CE2 3.64Å; M174-F201 HydrophobicContact CB-CZ 4.08Å; M174-F201 HydrophobicContact CG-CE2 3.73Å; M174-F201 HydrophobicContact CG-CZ 4.02Å; M174-F247 HydrophobicContact CE-CB 4.28Å; M174-F247 HydrophobicContact CE-CD1 3.99Å; M174-F247 HydrophobicContact CE-CD2 4.25Å; M174-F247 HydrophobicContact CE-CE1 4.38Å; M174-F247 HydrophobicContact CE-CG 3.9Å; M174-F247 HydrophobicContact SD-CB 4.15Å; M174-F247 HydrophobicContact SD-CD1 4.32Å; M174-F247 HydrophobicContact SD-CD2 3.49Å; M174-F247 WeakPolarHBondContact SD-CD2 3.31Å; M174-F247 HydrophobicContact SD-CE2 3.89Å; M174-F247 HydrophobicContact SD-CG 3.72Å; M174-F247 HydrophobicContact SD-CZ 4.45Å
175	N	88.4	Confident	90.5	Very high	72 Å²	72	26.8 Å²	26.8	39%	0.385	14%	0.141	S	C	.	.	H	α-helix	trans	-60.9	-38.4	175	-74.3	-18.5	0	0	0	111.6	T171 F173 H179	T171-N175 WeakPolarHBondContact O-CB 3.34Å; T171-N175 VanDerWaalsContact O-CG 3.27Å; T171-N175 PolarHBondContact O-N 3.29Å; T171-N175 PolarHBondContact O-ND2 2.8Å; F173-N175 PolarHBondContact O-N 2.86Å; N175-H179 VanDerWaalsContact O-CB 3.23Å; N175-H179 WeakPolarHBondContact O-CB 3.43Å; N175-H179 PolarHBondContact O-N 3.37Å
176	T	90.8	Very high	90.7	Very high	4 Å²	4	29.8 Å²	29.8	3%	0.025	15%	0.149	C	C	.	.	H	α-helix	trans	-68.7	-40.2	177.6	-54.1	0	0	0	0	111.7	D172 F173 M174 H180 F302 P381 K384 Y385	D172-T176 WeakPolarHBondContact O-CB 3.38Å; D172-T176 PolarHBondContact O-N 3.48Å; D172-T176 VanDerWaalsContact O-N 3.09Å; D172-T176 PolarHBondContact O-OG1 2.92Å; F173-T176 WeakPolarHBondContact O-CB 3.48Å; F173-T176 PolarHBondContact O-N 2.75Å; F173-T176 VanDerWaalsContact O-N 3.13Å; M174-T176 VanDerWaalsContact C-N 3.26Å; M174-T176 PolarHBondContact O-N 2.86Å; T176-H180 PolarHBondContact O-N 2.92Å; T176-F302 HydrophobicContact CG2-CE1 3.79Å; T176-F302 HydrophobicContact CG2-CZ 4.25Å; T176-P381 HydrophobicContact CG2-CB 3.77Å; T176-P381 HydrophobicContact CG2-CG 4.46Å; T176-K384 PolarHBondContact OG1-NZ 3.04Å; T176-Y385 HydrophobicContact CG2-CD2 3.7Å; T176-Y385 HydrophobicContact CG2-CE2 3.73Å; T176-Y385 WeakPolarHBondContact OG1-CE2 3.46Å
177	V	93	Very high	90.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-51.7	175	168.6	0	0	0	0	110.4	F173 M174 H180 V181 F247 F302 V305	F173-V177 HydrophobicContact CD1-CG2 4.44Å; F173-V177 HydrophobicContact CD2-CG2 4.39Å; F173-V177 HydrophobicContact CE1-CG2 4.05Å; F173-V177 HydrophobicContact CE2-CG2 4Å; F173-V177 HydrophobicContact CZ-CG2 3.81Å; F173-V177 WeakPolarHBondContact O-CG2 3.43Å; F173-V177 PolarHBondContact O-N 2.64Å; M174-V177 PolarHBondContact O-N 3.05Å; V177-H180 PolarHBondContact O-N 2.9Å; V177-V181 WeakPolarHBondContact O-CG2 3.47Å; V177-V181 PolarHBondContact O-N 3.5Å; V177-F247 HydrophobicContact CG1-CE1 4.22Å; V177-F247 HydrophobicContact CG1-CZ 4.07Å; V177-F302 HydrophobicContact CG2-CD1 4.34Å; V177-V305 HydrophobicContact CB-CG2 4.32Å; V177-V305 HydrophobicContact CG1-CG2 4.19Å; V177-V305 HydrophobicContact CG2-CG2 4.22Å
178	I	92	Very high	90.9	Very high	4 Å²	4	37 Å²	37	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-67.1	-38.2	-179	-62.7	-61.3	0	0	0	112.1	I146 I148 M174 H180 V181 Q182 V198 L245	I146-I178 HydrophobicContact CD1-CD1 4.02Å; I146-I178 HydrophobicContact CD1-CG2 3.98Å; I148-I178 HydrophobicContact CD1-CD1 4.03Å; I148-I178 HydrophobicContact CD1-CG1 3.62Å; M174-I178 WeakPolarHBondContact O-CG1 3.09Å; M174-I178 PolarHBondContact O-N 3.19Å; I178-H180 VanDerWaalsContact C-N 3.28Å; I178-H180 PolarHBondContact O-N 3.3Å; I178-V181 PolarHBondContact O-N 2.95Å; I178-Q182 PolarHBondContact O-N 2.89Å; I178-V198 HydrophobicContact CG2-CG2 4.07Å; I178-L245 HydrophobicContact CD1-CD2 4.45Å
179	H	90.9	Very high	91.1	Very high	26 Å²	26	32.4 Å²	32.4	12%	0.12	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-41.3	173.2	179.7	-158.8	0	0	0	111.1	N175 Q182 I183 I375 T377	N175-H179 VanDerWaalsContact O-CB 3.23Å; N175-H179 WeakPolarHBondContact O-CB 3.43Å; N175-H179 PolarHBondContact O-N 3.37Å; H179-Q182 WeakPolarHBondContact O-CB 3Å; H179-Q182 PolarHBondContact O-N 3.06Å; H179-I183 WeakPolarHBondContact O-CG1 3Å; H179-I183 PolarHBondContact O-N 3.39Å; H179-I183 VanDerWaalsContact O-N 3.13Å; H179-I375 HydrophobicContact CB-CG2 4.21Å; H179-T377 PolarHBondContact CE1-OG1 3.49Å; H179-T377 PolarHBondContact ND1-OG1 2.99Å
180	H	92.9	Very high	91.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-71.6	-36.7	176.8	-158.7	-170.7	0	0	0	112.9	T176 V177 I178 Q182 I183 L184 V305 P381 L433 E434	T176-H180 PolarHBondContact O-N 2.92Å; V177-H180 PolarHBondContact O-N 2.9Å; I178-H180 VanDerWaalsContact C-N 3.28Å; I178-H180 PolarHBondContact O-N 3.3Å; H180-Q182 VanDerWaalsContact C-N 3.28Å; H180-Q182 PolarHBondContact O-N 3.42Å; H180-I183 WeakPolarHBondContact O-CB 3.5Å; H180-I183 PolarHBondContact O-N 3.01Å; H180-I183 VanDerWaalsContact O-N 3.12Å; H180-L184 PolarHBondContact O-N 2.87Å; H180-V305 HydrophobicContact CB-CB 4.48Å; H180-V305 HydrophobicContact CB-CG1 3.71Å; H180-V305 HydrophobicContact CB-CG2 3.88Å; H180-P381 HydrophobicContact CB-CB 4.24Å; H180-P381 HydrophobicContact CB-CG 3.78Å; H180-L433 WeakPolarHBondContact ND1-CD2 3.05Å; H180-E434 VanDerWaalsContact NE2-CG 3.31Å; H180-E434 WeakPolarHBondContact NE2-CG 3.42Å; H180-E434 PolarHBondContact NE2-N 2.92Å
181	V	94.5	Very high	91.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.5	-44.3	170.5	172.8	0	0	0	0	110.4	V177 I178 I183 L184 Y185 F196 V305 T308 I312	V177-V181 WeakPolarHBondContact O-CG2 3.47Å; V177-V181 PolarHBondContact O-N 3.5Å; I178-V181 PolarHBondContact O-N 2.95Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.08Å; V181-L184 PolarHBondContact O-N 3.3Å; V181-Y185 HydrophobicContact CG1-CD2 3.89Å; V181-Y185 HydrophobicContact CG1-CE2 4.06Å; V181-Y185 WeakPolarHBondContact O-CD2 3.42Å; V181-Y185 PolarHBondContact O-N 3.33Å; V181-F196 HydrophobicContact CG1-CD2 4.46Å; V181-F196 HydrophobicContact CG1-CE2 3.83Å; V181-F196 HydrophobicContact CG1-CZ 3.95Å; V181-V305 HydrophobicContact CG2-CG1 4.36Å; V181-T308 HydrophobicContact CG2-CG2 4.11Å; V181-I312 HydrophobicContact CG1-CD1 3.82Å
182	Q	91.7	Very high	91.1	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.061	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-43	175	176.1	63.5	77.3	0	0	112.2	I178 H179 H180 Y185 Q186 L194 F196	I178-Q182 PolarHBondContact O-N 2.89Å; H179-Q182 WeakPolarHBondContact O-CB 3Å; H179-Q182 PolarHBondContact O-N 3.06Å; H180-Q182 VanDerWaalsContact C-N 3.28Å; H180-Q182 PolarHBondContact O-N 3.42Å; Q182-Y185 PolarHBondContact O-N 2.8Å; Q182-Q186 VanDerWaalsContact NE2-NE2 3.18Å; Q182-Q186 WeakPolarHBondContact O-CB 3.46Å; Q182-Q186 VanDerWaalsContact O-CG 3.31Å; Q182-Q186 WeakPolarHBondContact O-CG 3.38Å; Q182-Q186 PolarHBondContact O-N 3.44Å; Q182-L194 PolarHBondContact NE2-O 3.15Å; Q182-F196 HydrophobicContact CB-CD2 4.21Å
183	I	92	Very high	91	Very high	28 Å²	28	32 Å²	32	14%	0.144	17%	0.168	C	C	.	.	H	α-helix	trans	-63.5	-42.1	177.6	-64.2	164.3	0	0	0	111	H179 H180 V181 Y185 Q186 D187 L380 P381 E434	H179-I183 WeakPolarHBondContact O-CG1 3Å; H179-I183 PolarHBondContact O-N 3.39Å; H179-I183 VanDerWaalsContact O-N 3.13Å; H180-I183 WeakPolarHBondContact O-CB 3.5Å; H180-I183 PolarHBondContact O-N 3.01Å; H180-I183 VanDerWaalsContact O-N 3.12Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.08Å; I183-Y185 PolarHBondContact O-N 3.01Å; I183-Q186 WeakPolarHBondContact O-CB 3.42Å; I183-Q186 PolarHBondContact O-N 3.16Å; I183-Q186 VanDerWaalsContact O-N 3.09Å; I183-D187 PolarHBondContact O-N 2.92Å; I183-L380 HydrophobicContact CD1-CD2 3.85Å; I183-P381 HydrophobicContact CD1-CG 3.99Å; I183-E434 HydrophobicContact CD1-CB 4.18Å; I183-E434 HydrophobicContact CG2-CB 4.33Å; I183-E434 HydrophobicContact CG2-CG 3.84Å
184	L	94	Very high	90.9	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-67.8	-32.5	179.3	-66.2	177.7	0	0	0	113.1	H180 V181 Q186 D187 V305 Y306 T309 I330 V340 W342	H180-L184 PolarHBondContact O-N 2.87Å; V181-L184 PolarHBondContact O-N 3.3Å; L184-Q186 VanDerWaalsContact C-N 3.3Å; L184-D187 WeakPolarHBondContact O-CB 3.19Å; L184-D187 PolarHBondContact O-N 2.75Å; L184-V305 HydrophobicContact CD1-CG1 3.79Å; L184-Y306 HydrophobicContact CD1-CD1 4.05Å; L184-Y306 HydrophobicContact CD1-CE1 4.06Å; L184-T309 HydrophobicContact CB-CG2 3.91Å; L184-T309 HydrophobicContact CD1-CG2 4.03Å; L184-T309 WeakPolarHBondContact CD1-OG1 3.39Å; L184-I330 HydrophobicContact CB-CD1 4.41Å; L184-V340 HydrophobicContact CD2-CB 4.31Å; L184-W342 PolarHBondContact O-NE1 2.95Å
185	Y	93.6	Very high	90.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-79.4	-11.9	171.7	-85.6	-86.2	0	0	0	113.8	V181 Q182 I183 D187 I190 L194 F196 T309 I312 G313 L316 M318 W342	V181-Y185 HydrophobicContact CG1-CD2 3.89Å; V181-Y185 HydrophobicContact CG1-CE2 4.06Å; V181-Y185 WeakPolarHBondContact O-CD2 3.42Å; V181-Y185 PolarHBondContact O-N 3.33Å; Q182-Y185 PolarHBondContact O-N 2.8Å; I183-Y185 PolarHBondContact O-N 3.01Å; Y185-D187 VanDerWaalsContact C-N 3.32Å; Y185-I190 HydrophobicContact CD1-CD1 4.25Å; Y185-I190 HydrophobicContact CE1-CD1 4.25Å; Y185-L194 HydrophobicContact CD1-CB 4.22Å; Y185-L194 HydrophobicContact CD1-CD2 3.83Å; Y185-L194 HydrophobicContact CE1-CD2 4.01Å; Y185-L194 HydrophobicContact CG-CD2 4.46Å; Y185-F196 HydrophobicContact CD1-CZ 4.36Å; Y185-F196 AromaticContact CD2-CE2 3.5Å; Y185-F196 HydrophobicContact CD2-CE2 3.5Å; Y185-F196 AromaticContact CD2-CZ 3.48Å; Y185-F196 HydrophobicContact CD2-CZ 3.48Å; Y185-F196 VanDerWaalsContact CD2-CZ 3.48Å; Y185-F196 HydrophobicContact CE2-CE2 4.24Å; Y185-F196 AromaticContact CE2-CZ 3.75Å; Y185-F196 HydrophobicContact CE2-CZ 3.75Å; Y185-F196 AromaticContact CG-CE2 3.69Å; Y185-F196 HydrophobicContact CG-CE2 3.69Å; Y185-F196 AromaticContact CG-CZ 3.81Å; Y185-F196 HydrophobicContact CG-CZ 3.81Å; Y185-T309 HydrophobicContact CD2-CG2 4.02Å; Y185-T309 HydrophobicContact CE2-CG2 3.6Å; Y185-T309 PolarHBondContact OH-O 2.91Å; Y185-I312 HydrophobicContact CE1-CG2 4.43Å; Y185-I312 HydrophobicContact CE2-CB 4.21Å; Y185-I312 HydrophobicContact CE2-CD1 4.46Å; Y185-I312 HydrophobicContact CE2-CG2 4.1Å; Y185-I312 VanDerWaalsContact OH-CB 3.3Å; Y185-I312 WeakPolarHBondContact OH-CB 3.43Å; Y185-I312 WeakPolarHBondContact OH-CG2 3.3Å; Y185-G313 WeakPolarHBondContact OH-CA 3.28Å; Y185-G313 PolarHBondContact OH-N 3.36Å; Y185-L316 HydrophobicContact CE1-CD1 3.6Å; Y185-M318 HydrophobicContact CE1-CE 4.31Å; Y185-W342 AromaticContact CD1-CZ2 3.86Å; Y185-W342 HydrophobicContact CD1-CZ2 3.86Å; Y185-W342 HydrophobicContact CD2-CZ2 4.08Å; Y185-W342 AromaticContact CE1-CH2 3.74Å; Y185-W342 HydrophobicContact CE1-CH2 3.74Å; Y185-W342 AromaticContact CE1-CZ2 3.53Å; Y185-W342 HydrophobicContact CE1-CZ2 3.53Å; Y185-W342 HydrophobicContact CE2-CH2 4.04Å; Y185-W342 AromaticContact CE2-CZ2 3.78Å; Y185-W342 HydrophobicContact CE2-CZ2 3.78Å; Y185-W342 HydrophobicContact CG-CZ2 4.12Å; Y185-W342 AromaticContact CZ-CH2 3.45Å; Y185-W342 VanDerWaalsContact CZ-CH2 3.45Å; Y185-W342 AromaticContact CZ-CZ2 3.48Å; Y185-W342 VanDerWaalsContact CZ-CZ2 3.48Å; Y185-W342 VanDerWaalsContact OH-CH2 3.3Å; Y185-W342 WeakPolarHBondContact OH-CH2 3.41Å
186	Q	90.3	Very high	90.8	Very high	98 Å²	98	31.5 Å²	31.5	46%	0.458	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.2	169.9	-77.1	172.4	-4.1	0	0	113.4	Q182 I183 L184 Q193	Q182-Q186 VanDerWaalsContact NE2-NE2 3.18Å; Q182-Q186 WeakPolarHBondContact O-CB 3.46Å; Q182-Q186 VanDerWaalsContact O-CG 3.31Å; Q182-Q186 WeakPolarHBondContact O-CG 3.38Å; Q182-Q186 PolarHBondContact O-N 3.44Å; I183-Q186 WeakPolarHBondContact O-CB 3.42Å; I183-Q186 PolarHBondContact O-N 3.16Å; I183-Q186 VanDerWaalsContact O-N 3.09Å; L184-Q186 VanDerWaalsContact C-N 3.3Å; Q186-Q193 PolarHBondContact O-OE1 2.98Å
187	D	91	Very high	90.5	Very high	31 Å²	31	31.5 Å²	31.5	17%	0.166	16%	0.164	C	C	.	.	S	Bend	trans	-60.3	144.9	176.7	-174.3	-119.3	0	0	0	111.4	I183 L184 Y185 S189 I190 Q193 H341	I183-D187 PolarHBondContact O-N 2.92Å; L184-D187 WeakPolarHBondContact O-CB 3.19Å; L184-D187 PolarHBondContact O-N 2.75Å; Y185-D187 VanDerWaalsContact C-N 3.32Å; D187-S189 PolarHBondContact O-N 2.9Å; D187-S189 VanDerWaalsContact O-N 3.17Å; D187-S189 VanDerWaalsContact OD1-CB 3.24Å; D187-S189 WeakPolarHBondContact OD1-CB 3.3Å; D187-S189 PolarHBondContact OD1-N 2.87Å; D187-S189 PolarHBondContact OD1-OG 2.75Å; D187-I190 WeakPolarHBondContact O-CG2 3.38Å; D187-I190 PolarHBondContact O-N 2.78Å; D187-Q193 PolarHBondContact O-NE2 2.89Å; D187-H341 VanDerWaalsContact CG-ND1 3.31Å; D187-H341 IonicContact OD1-CG 3.48Å; D187-H341 IonicContact OD1-ND1 3.77Å; D187-H341 PolarHBondContact OD1-ND1 2.95Å; D187-H341 IonicContact OD2-CE1 3.8Å; D187-H341 PolarHBondContact OD2-CE1 2.95Å; D187-H341 IonicContact OD2-ND1 3.81Å; D187-H341 PolarHBondContact OD2-ND1 3.46Å
188	Q	88.4	Confident	90.2	Very high	183 Å²	183	34 Å²	34	86%	0.855	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-14	-174.5	-64.8	179.9	-5.2	0	0	113.2	I190	Q188-I190 VanDerWaalsContact C-N 3.3Å
189	S	91.7	Very high	89.9	Confident	38 Å²	38	36 Å²	36	27%	0.266	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.4	-179.6	67.1	0	0	0	0	114.3	D187 W342	D187-S189 PolarHBondContact O-N 2.9Å; D187-S189 VanDerWaalsContact O-N 3.17Å; D187-S189 VanDerWaalsContact OD1-CB 3.24Å; D187-S189 WeakPolarHBondContact OD1-CB 3.3Å; D187-S189 PolarHBondContact OD1-N 2.87Å; D187-S189 PolarHBondContact OD1-OG 2.75Å; S189-W342 WeakPolarHBondContact CB-O 3.42Å; S189-W342 WeakPolarHBondContact OG-CA 3.43Å; S189-W342 VanDerWaalsContact OG-CB 3.32Å; S189-W342 WeakPolarHBondContact OG-CB 3.3Å; S189-W342 PolarHBondContact OG-N 2.73Å; S189-W342 PolarHBondContact OG-O 3.4Å
190	I	90.6	Very high	89.8	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	19%	0.193	C	C	.	.	S	Bend	trans	-116.9	135	176.1	-170.3	164.3	0	0	0	111.2	Y185 D187 Q188 Q193 M318 W342 F350	Y185-I190 HydrophobicContact CD1-CD1 4.25Å; Y185-I190 HydrophobicContact CE1-CD1 4.25Å; D187-I190 WeakPolarHBondContact O-CG2 3.38Å; D187-I190 PolarHBondContact O-N 2.78Å; Q188-I190 VanDerWaalsContact C-N 3.3Å; I190-Q193 PolarHBondContact O-NE2 2.04Å; I190-M318 HydrophobicContact CD1-CE 3.31Å; I190-M318 HydrophobicContact CD1-SD 4.37Å; I190-W342 HydrophobicContact CB-CB 4.15Å; I190-W342 HydrophobicContact CB-CD2 4.32Å; I190-W342 HydrophobicContact CB-CG 3.72Å; I190-W342 HydrophobicContact CD1-CD2 3.76Å; I190-W342 HydrophobicContact CD1-CE3 4.17Å; I190-W342 HydrophobicContact CD1-CG 4.08Å; I190-W342 HydrophobicContact CD1-CZ2 4.22Å; I190-W342 HydrophobicContact CG1-CG 4.43Å; I190-W342 VanDerWaalsContact CG2-CD1 3.42Å; I190-W342 HydrophobicContact CG2-CG 4.13Å; I190-F350 HydrophobicContact CD1-CD1 3.9Å; I190-F350 HydrophobicContact CD1-CE1 4.19Å; I190-F350 HydrophobicContact CD1-CG 4.41Å; I190-F350 HydrophobicContact CG1-CD1 3.73Å; I190-F350 HydrophobicContact CG1-CE1 3.97Å
191	S	87.3	Confident	89.6	Confident	62 Å²	62	39.8 Å²	39.8	43%	0.434	21%	0.207	S	C	.	.	S	Bend	trans	-152.1	138	-179.5	177.9	0	0	0	0	110.8	N347 Q351	S191-N347 PolarHBondContact N-OD1 2.95Å; S191-N347 PolarHBondContact O-OD1 3.1Å; S191-Q351 WeakPolarHBondContact O-CG 3.48Å; S191-Q351 PolarHBondContact O-NE2 3.49Å
192	P	88.8	Confident	89.5	Confident	41 Å²	41	42.3 Å²	42.3	27%	0.266	22%	0.219	S	C	.	.	S	Bend	cis	-70.2	162.4	4	29.8	-36.9	0	0	0	113.9	L142 F350 L354	L142-P192 HydrophobicContact CD1-CB 4.4Å; L142-P192 HydrophobicContact CD1-CG 3.59Å; L142-P192 HydrophobicContact CG-CG 4.18Å; P192-F350 HydrophobicContact CG-CE1 4.23Å; P192-F350 HydrophobicContact CG-CZ 4.46Å; P192-F350 WeakPolarHBondContact O-CE1 3.4Å; P192-L354 HydrophobicContact CG-CD1 3.4Å; P192-L354 VanDerWaalsContact CG-CD1 3.4Å
193	Q	86	Confident	89.5	Confident	63 Å²	63	43.4 Å²	43.4	29%	0.294	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.6	-179.2	-67.5	-78.4	-54.5	0	0	110.8	L142 Q186 D187 I190	L142-Q193 PolarHBondContact N-O 2.73Å; L142-Q193 VanDerWaalsContact N-O 3.08Å; Q186-Q193 PolarHBondContact O-OE1 2.98Å; D187-Q193 PolarHBondContact O-NE2 2.89Å; I190-Q193 PolarHBondContact O-NE2 2.04Å
194	L	89.3	Confident	89.5	Confident	4 Å²	4	42.4 Å²	42.4	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128	-177.9	-175	68.2	0	0	0	110.8	L142 M144 Q182 Y185 F196 L316 L365	L142-L194 HydrophobicContact CB-CD1 3.7Å; M144-L194 HydrophobicContact CB-CD1 4.14Å; M144-L194 HydrophobicContact CE-CD2 3.94Å; Q182-L194 PolarHBondContact NE2-O 3.15Å; Y185-L194 HydrophobicContact CD1-CB 4.22Å; Y185-L194 HydrophobicContact CD1-CD2 3.83Å; Y185-L194 HydrophobicContact CE1-CD2 4.01Å; Y185-L194 HydrophobicContact CG-CD2 4.46Å; L194-F196 HydrophobicContact CD2-CE1 4.15Å; L194-F196 HydrophobicContact CD2-CE2 4.49Å; L194-F196 HydrophobicContact CD2-CZ 3.85Å; L194-F196 HydrophobicContact CG-CZ 4.44Å; L194-L316 HydrophobicContact CD2-CD1 3.74Å; L194-L365 HydrophobicContact CD1-CD1 4.38Å
195	E	88.4	Confident	89.3	Confident	57 Å²	57	47 Å²	47	27%	0.266	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	139.4	176.8	-170.2	167.8	-176.6	0	0	110.1	L142 T143 M144	L142-E195 PolarHBondContact O-N 3.37Å; T143-E195 CarbonylContact C-O 3.59Å; T143-E195 VanDerWaalsContact CA-O 3.25Å; T143-E195 WeakPolarHBondContact CA-O 3.23Å; M144-E195 PolarHBondContact N-O 3.29Å
196	F	89	Confident	89.1	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	131.8	179.5	-64.5	-83.1	0	0	0	110.3	M144 I146 V181 Q182 Y185 L194 I312	M144-F196 HydrophobicContact CB-CD1 4.09Å; M144-F196 HydrophobicContact CB-CE1 4.34Å; M144-F196 HydrophobicContact CE-CE1 4.47Å; M144-F196 HydrophobicContact CG-CD1 4.45Å; M144-F196 WeakPolarHBondContact O-CA 3.41Å; M144-F196 HydrophobicContact SD-CD1 4.08Å; M144-F196 HydrophobicContact SD-CE1 3.67Å; I146-F196 HydrophobicContact CD1-CB 4.27Å; I146-F196 HydrophobicContact CD1-CD1 4.33Å; I146-F196 HydrophobicContact CG2-CD1 3.95Å; V181-F196 HydrophobicContact CG1-CD2 4.46Å; V181-F196 HydrophobicContact CG1-CE2 3.83Å; V181-F196 HydrophobicContact CG1-CZ 3.95Å; Q182-F196 HydrophobicContact CB-CD2 4.21Å; Y185-F196 HydrophobicContact CD1-CZ 4.36Å; Y185-F196 AromaticContact CD2-CE2 3.5Å; Y185-F196 HydrophobicContact CD2-CE2 3.5Å; Y185-F196 AromaticContact CD2-CZ 3.48Å; Y185-F196 HydrophobicContact CD2-CZ 3.48Å; Y185-F196 VanDerWaalsContact CD2-CZ 3.48Å; Y185-F196 HydrophobicContact CE2-CE2 4.24Å; Y185-F196 AromaticContact CE2-CZ 3.75Å; Y185-F196 HydrophobicContact CE2-CZ 3.75Å; Y185-F196 AromaticContact CG-CE2 3.69Å; Y185-F196 HydrophobicContact CG-CE2 3.69Å; Y185-F196 AromaticContact CG-CZ 3.81Å; Y185-F196 HydrophobicContact CG-CZ 3.81Å; L194-F196 HydrophobicContact CD2-CE1 4.15Å; L194-F196 HydrophobicContact CD2-CE2 4.49Å; L194-F196 HydrophobicContact CD2-CZ 3.85Å; L194-F196 HydrophobicContact CG-CZ 4.44Å; F196-I312 HydrophobicContact CE1-CD1 3.84Å; F196-I312 HydrophobicContact CE1-CG2 4.2Å; F196-I312 HydrophobicContact CZ-CD1 4.01Å; F196-I312 HydrophobicContact CZ-CG2 4.26Å
197	S	86.1	Confident	88.9	Confident	4 Å²	4	48.8 Å²	48.8	3%	0.028	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.3	173.4	-174.3	0	0	0	0	109.4	M144 E145 I146 V199	M144-S197 PolarHBondContact O-N 2.85Å; E145-S197 CarbonylContact C-O 3.56Å; E145-S197 WeakPolarHBondContact CA-O 3.02Å; I146-S197 PolarHBondContact N-O 2.91Å; S197-V199 PolarHBondContact O-N 2.84Å
198	V	86.3	Confident	88.9	Confident	54 Å²	54	48.6 Å²	48.6	33%	0.327	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	104.6	177.6	-177.1	0	0	0	0	109.2	I146 I148 I178	I146-V198 HydrophobicContact CD1-CG2 3.95Å; I146-V198 HydrophobicContact CG1-CB 4.44Å; I146-V198 HydrophobicContact CG1-CG2 3.98Å; I148-V198 HydrophobicContact CD1-CB 4.49Å; I148-V198 HydrophobicContact CD1-CG1 3.76Å; I148-V198 HydrophobicContact CD1-CG2 3.85Å; I148-V198 HydrophobicContact CG1-CG1 4.44Å; I178-V198 HydrophobicContact CG2-CG2 4.07Å
199	V	85.7	Confident	88.9	Confident	44 Å²	44	48.2 Å²	48.2	27%	0.267	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-13.8	-179.1	-59.9	0	0	0	0	112.8	E145 I146 S197 W241 F370	E145-V199 HydrophobicContact CB-CG1 3.81Å; E145-V199 HydrophobicContact CB-CG2 4.19Å; E145-V199 HydrophobicContact CG-CG1 4.01Å; I146-V199 WeakPolarHBondContact O-CG2 3.38Å; I146-V199 PolarHBondContact O-N 2.8Å; S197-V199 PolarHBondContact O-N 2.84Å; V199-W241 HydrophobicContact CG2-CB 3.66Å; V199-F370 HydrophobicContact CB-CD2 4.16Å; V199-F370 HydrophobicContact CG1-CB 3.88Å; V199-F370 HydrophobicContact CG1-CD2 3.56Å; V199-F370 HydrophobicContact CG1-CE2 4.39Å; V199-F370 HydrophobicContact CG1-CG 3.9Å
200	R	88.2	Confident	88.7	Confident	41 Å²	41	49 Å²	49	16%	0.155	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	138.1	175.8	-171.9	173.8	-173	145.5	4.4	111	I146 A147 I148 E202	I146-R200 PolarHBondContact O-N 2.84Å; A147-R200 HydrophobicContact CB-CB 3.86Å; I148-R200 PolarHBondContact N-O 2.71Å; R200-E202 IonicContact CZ-OE2 3.99Å; R200-E202 IonicContact NE-OE2 3.96Å; R200-E202 PolarHBondContact NE-OE2 2.01Å; R200-E202 IonicContact NH2-OE2 3.44Å; R200-E202 PolarHBondContact NH2-OE2 3.37Å
201	F	89.6	Confident	88.6	Confident	66 Å²	66	48.9 Å²	48.9	29%	0.289	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	121.6	170.2	-178.9	-104.5	0	0	0	108.4	I148 V150 T171 M174 V203	I148-F201 HydrophobicContact CB-CD2 3.86Å; I148-F201 HydrophobicContact CD1-CD2 4.39Å; I148-F201 HydrophobicContact CG2-CD2 3.71Å; I148-F201 HydrophobicContact CG2-CE2 3.86Å; I148-F201 CarbonylContact O-C 3.56Å; I148-F201 WeakPolarHBondContact O-CA 3.43Å; V150-F201 HydrophobicContact CG2-CE2 4.29Å; V150-F201 HydrophobicContact CG2-CZ 4.43Å; T171-F201 HydrophobicContact CG2-CE1 4.19Å; M174-F201 HydrophobicContact CB-CE2 3.64Å; M174-F201 HydrophobicContact CB-CZ 4.08Å; M174-F201 HydrophobicContact CG-CE2 3.73Å; M174-F201 HydrophobicContact CG-CZ 4.02Å; F201-V203 HydrophobicContact CD1-CG2 4.46Å; F201-V203 HydrophobicContact CE1-CG2 3.64Å; F201-V203 HydrophobicContact CZ-CG2 3.79Å
202	E	91.4	Very high	88.4	Confident	54 Å²	54	50.3 Å²	50.3	25%	0.252	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	128.8	-175.3	-170.6	168.4	165.7	0	0	111.4	I148 F149 V150 R200 F204	I148-E202 PolarHBondContact O-N 3.04Å; F149-E202 CarbonylContact C-O 3.55Å; F149-E202 VanDerWaalsContact CA-O 3.29Å; F149-E202 WeakPolarHBondContact CA-O 3.33Å; F149-E202 HydrophobicContact CD1-CB 3.9Å; F149-E202 HydrophobicContact CD1-CG 4.44Å; F149-E202 HydrophobicContact CE1-CB 4.14Å; V150-E202 PolarHBondContact N-O 2.02Å; R200-E202 IonicContact CZ-OE2 3.99Å; R200-E202 IonicContact NE-OE2 3.96Å; R200-E202 PolarHBondContact NE-OE2 2.01Å; R200-E202 IonicContact NH2-OE2 3.44Å; R200-E202 PolarHBondContact NH2-OE2 3.37Å; E202-F204 HydrophobicContact CG-CD1 4.22Å; E202-F204 HydrophobicContact CG-CE1 3.9Å
203	V	91.9	Very high	87.7	Confident	35 Å²	35	48.7 Å²	48.7	21%	0.212	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	118.5	180	-179.3	0	0	0	0	109.4	V150 W155 L170 F201 K205	V150-V203 HydrophobicContact CB-CB 4.46Å; V150-V203 HydrophobicContact CB-CG1 4.3Å; V150-V203 HydrophobicContact CB-CG2 4.18Å; V150-V203 HydrophobicContact CG1-CG1 4.39Å; V150-V203 HydrophobicContact CG2-CG2 4.36Å; W155-V203 HydrophobicContact CB-CG1 3.97Å; W155-V203 VanDerWaalsContact CD1-CG1 3.48Å; W155-V203 HydrophobicContact CG-CG1 3.92Å; L170-V203 HydrophobicContact CD2-CB 4.5Å; L170-V203 HydrophobicContact CD2-CG1 3.68Å; L170-V203 HydrophobicContact CD2-CG2 3.94Å; F201-V203 HydrophobicContact CD1-CG2 4.46Å; F201-V203 HydrophobicContact CE1-CG2 3.64Å; F201-V203 HydrophobicContact CZ-CG2 3.79Å; V203-K205 PolarHBondContact O-N 2.86Å
204	F	93.1	Very high	87.2	Confident	7 Å²	7	49.9 Å²	49.9	3%	0.031	26%	0.263	C	S	.	.			trans	-80	83.4	179.7	-58.7	-33.7	0	0	0	111.2	F149 V150 N152 E202 T206 P208 L211 Y231 L246	F149-F204 HydrophobicContact CB-CE2 4.18Å; F149-F204 HydrophobicContact CB-CZ 4.17Å; F149-F204 AromaticContact CD1-CE1 3.96Å; F149-F204 HydrophobicContact CD1-CE1 3.96Å; F149-F204 HydrophobicContact CD1-CE2 4.3Å; F149-F204 AromaticContact CD1-CZ 3.46Å; F149-F204 HydrophobicContact CD1-CZ 3.46Å; F149-F204 VanDerWaalsContact CD1-CZ 3.46Å; F149-F204 HydrophobicContact CE1-CZ 4.27Å; F149-F204 HydrophobicContact CG-CZ 4.18Å; V150-F204 WeakPolarHBondContact O-CB 3.3Å; V150-F204 PolarHBondContact O-N 3.39Å; N152-F204 WeakPolarHBondContact CA-O 3.49Å; N152-F204 VanDerWaalsContact CB-O 3.25Å; N152-F204 WeakPolarHBondContact CB-O 3Å; N152-F204 PolarHBondContact N-O 3.48Å; N152-F204 PolarHBondContact ND2-O 2.94Å; N152-F204 VanDerWaalsContact ND2-O 3.13Å; E202-F204 HydrophobicContact CG-CD1 4.22Å; E202-F204 HydrophobicContact CG-CE1 3.9Å; F204-T206 PolarHBondContact O-N 3.27Å; F204-P208 HydrophobicContact CD1-CG 4Å; F204-P208 HydrophobicContact CD2-CG 4.23Å; F204-P208 HydrophobicContact CE1-CG 3.87Å; F204-P208 HydrophobicContact CE2-CG 4.13Å; F204-P208 HydrophobicContact CG-CG 4.19Å; F204-P208 HydrophobicContact CZ-CG 3.95Å; F204-L211 HydrophobicContact CE2-CD1 3.78Å; F204-L211 HydrophobicContact CZ-CD1 4.33Å; F204-Y231 HydrophobicContact CE1-CE1 4.49Å; F204-Y231 AromaticContact CZ-CE1 3.77Å; F204-Y231 HydrophobicContact CZ-CE1 3.77Å; F204-L246 HydrophobicContact CE2-CD1 4.28Å
205	K	89.5	Confident	86.6	Confident	102 Å²	102	57 Å²	57	44%	0.443	29%	0.293	S	S	.	.	S	Bend	trans	-59.7	-24	167.5	-58.7	-169.4	178.5	-177.2	0	112.8	N152 W155 D167 V203	N152-K205 PolarHBondContact ND2-O 2.97Å; W155-K205 HydrophobicContact CD2-CB 4.35Å; W155-K205 HydrophobicContact CD2-CG 4.05Å; W155-K205 HydrophobicContact CE3-CB 4.41Å; W155-K205 HydrophobicContact CG-CG 4.45Å; W155-K205 HydrophobicContact CH2-CB 4.45Å; W155-K205 HydrophobicContact CH2-CG 4.49Å; W155-K205 HydrophobicContact CZ2-CB 4.39Å; W155-K205 HydrophobicContact CZ2-CD 3.88Å; W155-K205 HydrophobicContact CZ2-CG 3.95Å; W155-K205 HydrophobicContact CZ3-CB 4.46Å; D167-K205 WeakPolarHBondContact OD1-CE 3.03Å; D167-K205 IonicContact OD1-NZ 3.98Å; D167-K205 WeakPolarHBondContact OD2-CE 3.42Å; D167-K205 IonicContact OD2-NZ 3.49Å; D167-K205 PolarHBondContact OD2-NZ 2.89Å; V203-K205 PolarHBondContact O-N 2.86Å
206	T	87.7	Confident	85.9	Confident	119 Å²	119	54.3 Å²	54.3	73%	0.73	28%	0.281	S	S	*	.	S	Bend	trans	-134.4	126.7	167.6	-55.7	0	0	0	0	108.3	F204	F204-T206 PolarHBondContact O-N 3.27Å
207	Q	87.3	Confident	84.9	Confident	17 Å²	17	56.7 Å²	56.7	8%	0.079	31%	0.307	C	S	.	.			trans	-66.3	130	-176.9	-163.8	72.1	7.7	0	0	111.5	N152 L211 Y224	N152-Q207 HydrophobicContact CB-CB 4.06Å; Q207-L211 HydrophobicContact CG-CB 4.14Å; Q207-L211 WeakPolarHBondContact CG-O 3.46Å; Q207-L211 VanDerWaalsContact NE2-CB 3.29Å; Q207-L211 PolarHBondContact NE2-O 3.11Å; Q207-Y224 PolarHBondContact NE2-OH 3.04Å; Q207-Y224 VanDerWaalsContact NE2-OH 3.13Å
208	P	90.3	Very high	84.2	Confident	27 Å²	27	62.4 Å²	62.4	18%	0.175	33%	0.333	C	S	.	.			trans	-55.9	146.5	175.3	-26.1	34.1	0	0	0	112.4	F204 A210 L211 K212 Y231	F204-P208 HydrophobicContact CD1-CG 4Å; F204-P208 HydrophobicContact CD2-CG 4.23Å; F204-P208 HydrophobicContact CE1-CG 3.87Å; F204-P208 HydrophobicContact CE2-CG 4.13Å; F204-P208 HydrophobicContact CG-CG 4.19Å; F204-P208 HydrophobicContact CZ-CG 3.95Å; P208-A210 PolarHBondContact O-N 3.04Å; P208-L211 HydrophobicContact CG-CD1 4.42Å; P208-L211 CarbonylContact O-C 3.59Å; P208-L211 PolarHBondContact O-N 3.26Å; P208-K212 PolarHBondContact O-N 3.06Å; P208-Y231 HydrophobicContact CB-CD2 4.46Å; P208-Y231 HydrophobicContact CB-CE2 3.79Å; P208-Y231 HydrophobicContact CG-CE2 4.01Å
209	K	89.1	Confident	83.4	Confident	175 Å²	175	60 Å²	60	76%	0.761	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-51.9	-35	179.7	-69.8	-174.5	-179.8	-178.1	0	113.1	L211	K209-L211 VanDerWaalsContact C-N 3.3Å; K209-L211 PolarHBondContact O-N 3.11Å
210	A	86.5	Confident	82.7	Confident	53 Å²	53	59.4 Å²	59.4	44%	0.438	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-71.2	-20.9	178.4	0	0	0	0	0	114.1	P208 Y231	P208-A210 PolarHBondContact O-N 3.04Å; A210-Y231 HydrophobicContact CB-CD2 4.11Å
211	L	89	Confident	82	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-119.8	14.9	-173.5	-57.5	-179.8	0	0	0	113	F204 Q207 P208 K209 H216 Y224 A227 F228 Y231	F204-L211 HydrophobicContact CE2-CD1 3.78Å; F204-L211 HydrophobicContact CZ-CD1 4.33Å; Q207-L211 HydrophobicContact CG-CB 4.14Å; Q207-L211 WeakPolarHBondContact CG-O 3.46Å; Q207-L211 VanDerWaalsContact NE2-CB 3.29Å; Q207-L211 PolarHBondContact NE2-O 3.11Å; P208-L211 HydrophobicContact CG-CD1 4.42Å; P208-L211 CarbonylContact O-C 3.59Å; P208-L211 PolarHBondContact O-N 3.26Å; K209-L211 VanDerWaalsContact C-N 3.3Å; K209-L211 PolarHBondContact O-N 3.11Å; L211-H216 PolarHBondContact O-NE2 3.28Å; L211-H216 VanDerWaalsContact O-NE2 3.15Å; L211-Y224 HydrophobicContact CB-CE2 4.44Å; L211-A227 VanDerWaalsContact CD2-C 3.5Å; L211-A227 HydrophobicContact CD2-CB 3.82Å; L211-F228 HydrophobicContact CD1-CD2 4.29Å; L211-F228 HydrophobicContact CD2-CB 4.28Å; L211-Y231 HydrophobicContact CD1-CD1 3.81Å; L211-Y231 HydrophobicContact CD1-CD2 4.31Å; L211-Y231 HydrophobicContact CD1-CE1 4.22Å; L211-Y231 HydrophobicContact CD1-CG 3.86Å; L211-Y231 HydrophobicContact CD2-CG 4.43Å; L211-Y231 HydrophobicContact CG-CD2 4.36Å; L211-Y231 HydrophobicContact CG-CG 4.14Å
212	K	83.9	Confident	81	Confident	92 Å²	92	57.1 Å²	57.1	40%	0.4	31%	0.308	S	S	.	.			trans	-64.7	144.2	175.8	-74.5	-169.5	174.3	-169.2	0	110.9	P208 P214 K215 H216	P208-K212 PolarHBondContact O-N 3.06Å; K212-P214 VanDerWaalsContact O-N 3.09Å; K212-K215 VanDerWaalsContact O-CB 3.31Å; K212-K215 WeakPolarHBondContact O-CB 3.47Å; K212-K215 PolarHBondContact O-N 3.3Å; K212-H216 PolarHBondContact O-CD2 2.85Å; K212-H216 PolarHBondContact O-NE2 3.17Å
213	G	74.1	Confident	80.3	Confident	6 Å²	6	57 Å²	57	6%	0.062	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-36	-55.1	-178.9	0	0	0	0	0	115.8	K215 H216 G217 H218 Y250	G213-K215 PolarHBondContact O-N 2.99Å; G213-K215 VanDerWaalsContact O-N 3.17Å; G213-H216 WeakPolarHBondContact CA-NE2 3.4Å; G213-H216 PolarHBondContact N-NE2 3.02Å; G213-H216 CarbonylContact O-C 3.5Å; G213-H216 PolarHBondContact O-N 3.48Å; G213-H216 VanDerWaalsContact O-N 3.1Å; G213-G217 PolarHBondContact O-N 3.47Å; G213-G217 VanDerWaalsContact O-N 3.15Å; G213-H218 PolarHBondContact O-N 2.94Å; G213-Y250 VanDerWaalsContact CA-OH 3.3Å; G213-Y250 WeakPolarHBondContact CA-OH 3.43Å
214	P	75.3	Confident	80.1	Confident	88 Å²	88	55.3 Å²	55.3	57%	0.571	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-58.8	-30.3	-178.5	-26.6	34.9	0	0	0	114.7	K212 H216	K212-P214 VanDerWaalsContact O-N 3.09Å; P214-H216 PolarHBondContact O-N 3.38Å
215	K	75.8	Confident	79.8	Confident	153 Å²	153	55 Å²	55	67%	0.665	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-66.3	-21.1	-179.9	-66.1	-64.4	-173.6	-176.3	0	113.1	K212 G213	K212-K215 VanDerWaalsContact O-CB 3.31Å; K212-K215 WeakPolarHBondContact O-CB 3.47Å; K212-K215 PolarHBondContact O-N 3.3Å; G213-K215 PolarHBondContact O-N 2.99Å; G213-K215 VanDerWaalsContact O-N 3.17Å
216	H	74.7	Confident	79.5	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.005	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-133.6	30.2	-177.8	62	88	0	0	0	111.8	L211 K212 G213 P214 H218 G219 N220 Y224 Y250	L211-H216 PolarHBondContact O-NE2 3.28Å; L211-H216 VanDerWaalsContact O-NE2 3.15Å; K212-H216 PolarHBondContact O-CD2 2.85Å; K212-H216 PolarHBondContact O-NE2 3.17Å; G213-H216 WeakPolarHBondContact CA-NE2 3.4Å; G213-H216 PolarHBondContact N-NE2 3.02Å; G213-H216 CarbonylContact O-C 3.5Å; G213-H216 PolarHBondContact O-N 3.48Å; G213-H216 VanDerWaalsContact O-N 3.1Å; P214-H216 PolarHBondContact O-N 3.38Å; H216-H218 VanDerWaalsContact C-N 3.3Å; H216-H218 PolarHBondContact O-N 2.47Å; H216-G219 PolarHBondContact CE1-N 3.38Å; H216-G219 PolarHBondContact ND1-N 3.19Å; H216-G219 VanDerWaalsContact ND1-N 3.15Å; H216-G219 PolarHBondContact O-N 3.36Å; H216-N220 WeakPolarHBondContact O-CB 3.42Å; H216-N220 PolarHBondContact O-N 3.33Å; H216-Y224 HydrophobicContact CB-CD2 4.26Å; H216-Y224 HydrophobicContact CB-CG 4.22Å; H216-Y224 AromaticContact CD2-CD2 3.74Å; H216-Y224 AromaticContact CD2-CE2 3.95Å; H216-Y224 AromaticContact CE1-CD1 3.7Å; H216-Y224 AromaticContact CE1-CD2 3.83Å; H216-Y224 AromaticContact CE1-CE1 3.74Å; H216-Y224 AromaticContact CE1-CE2 3.85Å; H216-Y224 AromaticContact CE1-CG 3.75Å; H216-Y224 AromaticContact CE1-CZ 3.8Å; H216-Y224 AromaticContact CG-CD2 3.65Å; H216-Y224 AromaticContact CG-CG 3.71Å; H216-Y224 AromaticContact ND1-CD1 3.64Å; H216-Y224 AromaticContact ND1-CD2 3.71Å; H216-Y224 AromaticContact ND1-CG 3.39Å; H216-Y224 AromaticContact NE2-CD2 3.87Å; H216-Y224 AromaticContact NE2-CE2 3.7Å; H216-Y224 AromaticContact NE2-CZ 3.94Å; H216-Y250 AromaticContact CE1-CE2 3.62Å; H216-Y250 AromaticContact CE1-CZ 3.81Å
217	G	68.3	Low	79.5	Confident	53 Å²	53	47.6 Å²	47.6	55%	0.546	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	37.4	175.1	0	0	0	0	0	114.4	G213 G219	G213-G217 PolarHBondContact O-N 3.47Å; G213-G217 VanDerWaalsContact O-N 3.15Å; G217-G219 VanDerWaalsContact C-N 3.33Å; G217-G219 PolarHBondContact O-N 2.9Å
218	H	71.6	Confident	79.8	Confident	124 Å²	124	46.8 Å²	46.8	57%	0.574	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	43.6	177.9	-61.9	-89.6	0	0	0	113.9	G213 H216 Y250	G213-H218 PolarHBondContact O-N 2.94Å; H216-H218 VanDerWaalsContact C-N 3.3Å; H216-H218 PolarHBondContact O-N 2.47Å; H218-Y250 HydrophobicContact CB-CE1 4.47Å; H218-Y250 WeakPolarHBondContact O-CD1 3.4Å
219	G	68.3	Low	79.7	Confident	3 Å²	3	45.6 Å²	45.6	3%	0.031	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.8	27.5	178.8	0	0	0	0	0	114	H216 G217 A221 I269 H270	H216-G219 PolarHBondContact CE1-N 3.38Å; H216-G219 PolarHBondContact ND1-N 3.19Å; H216-G219 VanDerWaalsContact ND1-N 3.15Å; H216-G219 PolarHBondContact O-N 3.36Å; G217-G219 VanDerWaalsContact C-N 3.33Å; G217-G219 PolarHBondContact O-N 2.9Å; G219-A221 PolarHBondContact O-N 3.08Å; G219-I269 WeakPolarHBondContact O-CG2 3.4Å; G219-H270 PolarHBondContact O-N 3.35Å; G219-H270 VanDerWaalsContact O-N 3.08Å
220	N	72.3	Confident	79.6	Confident	32 Å²	32	43.4 Å²	43.4	17%	0.171	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-65.4	119.3	164.2	177	-66.6	0	0	0	109.2	H216 L222 S223 Y224 H270 P272	H216-N220 WeakPolarHBondContact O-CB 3.42Å; H216-N220 PolarHBondContact O-N 3.33Å; N220-L222 PolarHBondContact O-N 3.24Å; N220-L222 PolarHBondContact OD1-N 2.92Å; N220-S223 PolarHBondContact O-N 2.95Å; N220-S223 PolarHBondContact OD1-N 3.43Å; N220-S223 PolarHBondContact OD1-OG 3.36Å; N220-Y224 WeakPolarHBondContact O-CB 3.46Å; N220-Y224 PolarHBondContact O-N 2.91Å; N220-H270 WeakPolarHBondContact CA-O 3.44Å; N220-P272 WeakPolarHBondContact ND2-CD 3.23Å; N220-P272 WeakPolarHBondContact ND2-CG 3.44Å
221	A	72.1	Confident	79.8	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-53.3	-51.1	-171.1	0	0	0	0	0	113.2	G219 Y224 L225 I269 H270 I281	G219-A221 PolarHBondContact O-N 3.08Å; A221-Y224 PolarHBondContact O-N 2.91Å; A221-L225 WeakPolarHBondContact O-CB 3.25Å; A221-L225 PolarHBondContact O-N 3.09Å; A221-I269 HydrophobicContact CB-CG2 3.46Å; A221-I269 VanDerWaalsContact CB-CG2 3.46Å; A221-H270 PolarHBondContact N-O 3.27Å; A221-H270 VanDerWaalsContact N-O 3.1Å; A221-I281 HydrophobicContact CB-CD1 4.13Å; A221-I281 HydrophobicContact CB-CG2 4.21Å
222	L	69.7	Low	79.9	Confident	58 Å²	58	43 Å²	43	30%	0.304	23%	0.23	S	C	.	.	H	α-helix	trans	-71.3	-46.1	-175	-178.5	61.1	0	0	0	111.8	D107 N220 Y224 L225 N226 I281	D107-L222 HydrophobicContact CB-CD1 3.96Å; N220-L222 PolarHBondContact O-N 3.24Å; N220-L222 PolarHBondContact OD1-N 2.92Å; L222-Y224 PolarHBondContact O-N 2.83Å; L222-L225 PolarHBondContact O-N 2.96Å; L222-N226 WeakPolarHBondContact O-CB 3.4Å; L222-N226 PolarHBondContact O-N 3.41Å; L222-N226 PolarHBondContact O-ND2 2.71Å; L222-I281 HydrophobicContact CB-CD1 4.29Å; L222-I281 HydrophobicContact CD1-CD1 4.25Å
223	S	76.5	Confident	80.1	Confident	50 Å²	50	42.8 Å²	42.8	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-63.4	-34.7	177.6	-60.5	0	0	0	0	111.5	N220 A227	N220-S223 PolarHBondContact O-N 2.95Å; N220-S223 PolarHBondContact OD1-N 3.43Å; N220-S223 PolarHBondContact OD1-OG 3.36Å; S223-A227 WeakPolarHBondContact O-CB 3.21Å; S223-A227 PolarHBondContact O-N 2.78Å
224	Y	87.6	Confident	80.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-74.4	-44.8	-179.9	-162.1	-175	0	0	0	111.3	D151 Q207 L211 H216 N220 A221 L222 N226 A227 F228 L246 Y250 L296	D151-Y224 VanDerWaalsContact CB-OH 3.25Å; D151-Y224 WeakPolarHBondContact CB-OH 3.37Å; D151-Y224 PolarHBondContact OD2-OH 3.48Å; Q207-Y224 PolarHBondContact NE2-OH 3.04Å; Q207-Y224 VanDerWaalsContact NE2-OH 3.13Å; L211-Y224 HydrophobicContact CB-CE2 4.44Å; H216-Y224 HydrophobicContact CB-CD2 4.26Å; H216-Y224 HydrophobicContact CB-CG 4.22Å; H216-Y224 AromaticContact CD2-CD2 3.74Å; H216-Y224 AromaticContact CD2-CE2 3.95Å; H216-Y224 AromaticContact CE1-CD1 3.7Å; H216-Y224 AromaticContact CE1-CD2 3.83Å; H216-Y224 AromaticContact CE1-CE1 3.74Å; H216-Y224 AromaticContact CE1-CE2 3.85Å; H216-Y224 AromaticContact CE1-CG 3.75Å; H216-Y224 AromaticContact CE1-CZ 3.8Å; H216-Y224 AromaticContact CG-CD2 3.65Å; H216-Y224 AromaticContact CG-CG 3.71Å; H216-Y224 AromaticContact ND1-CD1 3.64Å; H216-Y224 AromaticContact ND1-CD2 3.71Å; H216-Y224 AromaticContact ND1-CG 3.39Å; H216-Y224 AromaticContact NE2-CD2 3.87Å; H216-Y224 AromaticContact NE2-CE2 3.7Å; H216-Y224 AromaticContact NE2-CZ 3.94Å; N220-Y224 WeakPolarHBondContact O-CB 3.46Å; N220-Y224 PolarHBondContact O-N 2.91Å; A221-Y224 PolarHBondContact O-N 2.91Å; L222-Y224 PolarHBondContact O-N 2.83Å; Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 3.29Å; Y224-A227 PolarHBondContact O-N 2.9Å; Y224-F228 WeakPolarHBondContact O-CB 3.42Å; Y224-F228 PolarHBondContact O-N 2.96Å; Y224-L246 HydrophobicContact CD2-CD2 4.16Å; Y224-L246 HydrophobicContact CE1-CD2 4.36Å; Y224-L246 HydrophobicContact CE2-CD2 3.58Å; Y224-Y250 AromaticContact CE1-CD2 3.73Å; Y224-Y250 HydrophobicContact CE1-CD2 3.73Å; Y224-Y250 AromaticContact CE1-CE2 3.89Å; Y224-Y250 HydrophobicContact CE1-CE2 3.89Å; Y224-L296 HydrophobicContact CD1-CD1 3.94Å; Y224-L296 HydrophobicContact CD1-CD2 3.75Å; Y224-L296 HydrophobicContact CE1-CD1 4.07Å; Y224-L296 HydrophobicContact CG-CD1 4.48Å; Y224-L296 HydrophobicContact CG-CD2 3.93Å
225	L	87.2	Confident	81	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-54.9	-49.9	170.2	-178	65.9	0	0	0	110.7	A221 L222 A227 F228 C229 I281 R283 C294 L296	A221-L225 WeakPolarHBondContact O-CB 3.25Å; A221-L225 PolarHBondContact O-N 3.09Å; L222-L225 PolarHBondContact O-N 2.96Å; L225-A227 VanDerWaalsContact C-N 3.34Å; L225-A227 PolarHBondContact O-N 2.6Å; L225-F228 PolarHBondContact O-N 3Å; L225-F228 VanDerWaalsContact O-N 3.15Å; L225-C229 WeakPolarHBondContact O-CB 3.45Å; L225-C229 PolarHBondContact O-N 3.32Å; L225-C229 PolarHBondContact O-SG 2.04Å; L225-I281 HydrophobicContact CB-CD1 4.38Å; L225-I281 HydrophobicContact CB-CG2 3.93Å; L225-I281 HydrophobicContact CD1-CG2 4.46Å; L225-I281 HydrophobicContact CD2-CB 4.41Å; L225-I281 HydrophobicContact CD2-CD1 3.85Å; L225-I281 HydrophobicContact CD2-CG1 3.82Å; L225-I281 HydrophobicContact CD2-CG2 4.09Å; L225-I281 HydrophobicContact CG-CG2 4.38Å; L225-R283 HydrophobicContact CD2-CG 4.19Å; L225-C294 HydrophobicContact CD1-CB 4.43Å; L225-L296 HydrophobicContact CD1-CB 4.23Å
226	N	82.6	Confident	80.7	Confident	49 Å²	49	41.9 Å²	41.9	26%	0.262	22%	0.215	S	C	.	.	H	α-helix	trans	-57.1	-44	178.5	-75.2	-25.7	0	0	0	113.1	L222 Y224 K230 R283	L222-N226 WeakPolarHBondContact O-CB 3.4Å; L222-N226 PolarHBondContact O-N 3.41Å; L222-N226 PolarHBondContact O-ND2 2.71Å; Y224-N226 VanDerWaalsContact C-N 3.34Å; Y224-N226 PolarHBondContact O-N 3.29Å; N226-K230 WeakPolarHBondContact O-CG 3.22Å; N226-K230 PolarHBondContact O-N 3.48Å; N226-R283 PolarHBondContact OD1-NH2 2.97Å
227	A	88.2	Confident	80	Confident	17 Å²	17	46.3 Å²	46.3	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-42.9	177.5	0	0	0	0	0	111.2	L211 S223 Y224 L225 K230 Y231	L211-A227 VanDerWaalsContact CD2-C 3.5Å; L211-A227 HydrophobicContact CD2-CB 3.82Å; S223-A227 WeakPolarHBondContact O-CB 3.21Å; S223-A227 PolarHBondContact O-N 2.78Å; Y224-A227 PolarHBondContact O-N 2.9Å; L225-A227 VanDerWaalsContact C-N 3.34Å; L225-A227 PolarHBondContact O-N 2.6Å; A227-K230 PolarHBondContact O-N 2.88Å; A227-Y231 WeakPolarHBondContact O-CB 3.48Å; A227-Y231 PolarHBondContact O-N 2.62Å
228	F	93.7	Very high	79.3	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.9	-45.2	178.4	178.7	-117.7	0	0	0	112.9	F149 L211 Y224 L225 K230 Y231 Q232 A244 L246 C294 L295	F149-F228 HydrophobicContact CB-CE2 4.13Å; F149-F228 HydrophobicContact CB-CZ 4.45Å; F149-F228 AromaticContact CD2-CE2 3.63Å; F149-F228 HydrophobicContact CD2-CE2 3.63Å; F149-F228 AromaticContact CD2-CZ 3.57Å; F149-F228 HydrophobicContact CD2-CZ 3.57Å; F149-F228 HydrophobicContact CE2-CE2 4.21Å; F149-F228 HydrophobicContact CE2-CZ 4.14Å; F149-F228 AromaticContact CG-CE2 3.91Å; F149-F228 HydrophobicContact CG-CE2 3.91Å; F149-F228 HydrophobicContact CG-CZ 4.24Å; L211-F228 HydrophobicContact CD1-CD2 4.29Å; L211-F228 HydrophobicContact CD2-CB 4.28Å; Y224-F228 WeakPolarHBondContact O-CB 3.42Å; Y224-F228 PolarHBondContact O-N 2.96Å; L225-F228 PolarHBondContact O-N 3Å; L225-F228 VanDerWaalsContact O-N 3.15Å; F228-K230 VanDerWaalsContact C-N 3.28Å; F228-K230 PolarHBondContact O-N 2.9Å; F228-Y231 HydrophobicContact CD2-CD1 4.4Å; F228-Y231 WeakPolarHBondContact O-CB 3.34Å; F228-Y231 PolarHBondContact O-N 3.5Å; F228-Y231 VanDerWaalsContact O-N 3.07Å; F228-Q232 HydrophobicContact CE2-CB 4.34Å; F228-Q232 HydrophobicContact CZ-CB 4.35Å; F228-Q232 PolarHBondContact O-N 3.19Å; F228-A244 HydrophobicContact CE1-CB 4.01Å; F228-A244 HydrophobicContact CZ-CB 3.74Å; F228-L246 HydrophobicContact CB-CD2 3.86Å; F228-L246 HydrophobicContact CD1-CB 3.7Å; F228-L246 HydrophobicContact CD1-CD2 4.35Å; F228-L246 HydrophobicContact CD2-CB 3.91Å; F228-L246 HydrophobicContact CD2-CD1 4.47Å; F228-L246 HydrophobicContact CD2-CD2 3.74Å; F228-L246 HydrophobicContact CD2-CG 4.26Å; F228-L246 HydrophobicContact CE1-CB 3.62Å; F228-L246 HydrophobicContact CE2-CB 3.83Å; F228-L246 HydrophobicContact CE2-CD1 4.42Å; F228-L246 HydrophobicContact CE2-CD2 4.4Å; F228-L246 HydrophobicContact CE2-CG 4.45Å; F228-L246 HydrophobicContact CG-CB 3.85Å; F228-L246 HydrophobicContact CG-CD2 3.71Å; F228-L246 HydrophobicContact CG-CG 4.39Å; F228-L246 HydrophobicContact CZ-CB 3.68Å; F228-C294 HydrophobicContact CD1-CB 3.93Å; F228-C294 HydrophobicContact CE1-CB 4.04Å; F228-L295 WeakPolarHBondContact CE1-O 3.49Å
229	C	87.6	Confident	78.5	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-55.6	-42.5	174.9	-65	0	0	0	0	112.3	L225 Q232 Y233 L291 C294	L225-C229 WeakPolarHBondContact O-CB 3.45Å; L225-C229 PolarHBondContact O-N 3.32Å; L225-C229 PolarHBondContact O-SG 2.04Å; C229-Q232 WeakPolarHBondContact O-CG 3.48Å; C229-Q232 PolarHBondContact O-NE2 2.94Å; C229-Y233 VanDerWaalsContact O-CB 3.27Å; C229-Y233 WeakPolarHBondContact O-CB 3.18Å; C229-Y233 PolarHBondContact O-N 2.75Å; C229-Y233 VanDerWaalsContact O-N 3.08Å; C229-L291 WeakPolarHBondContact CB-O 3.49Å; C229-C294 VanDerWaalsContact CA-SG 3.55Å; C229-C294 HydrophobicContact CB-CB 3.92Å; C229-C294 WeakPolarHBondContact CB-SG 3.35Å; C229-C294 WeakPolarHBondContact SG-CB 3.32Å; C229-C294 CovalentContact SG-SG 2.01Å; C229-C294 PolarHBondContact SG-SG 3.34Å
230	K	87.5	Confident	78.7	Confident	129 Å²	129	64 Å²	64	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-66.5	-46.1	173.7	-71.9	176	-178.7	179.4	0	111.6	N226 A227 F228 Y233 Y234 L291	N226-K230 WeakPolarHBondContact O-CG 3.22Å; N226-K230 PolarHBondContact O-N 3.48Å; A227-K230 PolarHBondContact O-N 2.88Å; F228-K230 VanDerWaalsContact C-N 3.28Å; F228-K230 PolarHBondContact O-N 2.9Å; K230-Y233 PolarHBondContact O-N 2.86Å; K230-Y234 WeakPolarHBondContact O-CD2 3.44Å; K230-Y234 PolarHBondContact O-N 3.1Å; K230-Y234 VanDerWaalsContact O-N 3.12Å; K230-L291 HydrophobicContact CG-CD1 4.39Å
231	Y	90.9	Very high	79.5	Confident	42 Å²	42	63.3 Å²	63.3	17%	0.165	28%	0.281	C	S	.	.	H	α-helix	trans	-59.3	-50.4	179.9	176.1	-95.5	0	0	0	111.9	F149 F204 P208 A210 L211 A227 F228 Y233 Y234 L235	F149-Y231 HydrophobicContact CE1-CE1 4.27Å; F204-Y231 HydrophobicContact CE1-CE1 4.49Å; F204-Y231 AromaticContact CZ-CE1 3.77Å; F204-Y231 HydrophobicContact CZ-CE1 3.77Å; P208-Y231 HydrophobicContact CB-CD2 4.46Å; P208-Y231 HydrophobicContact CB-CE2 3.79Å; P208-Y231 HydrophobicContact CG-CE2 4.01Å; A210-Y231 HydrophobicContact CB-CD2 4.11Å; L211-Y231 HydrophobicContact CD1-CD1 3.81Å; L211-Y231 HydrophobicContact CD1-CD2 4.31Å; L211-Y231 HydrophobicContact CD1-CE1 4.22Å; L211-Y231 HydrophobicContact CD1-CG 3.86Å; L211-Y231 HydrophobicContact CD2-CG 4.43Å; L211-Y231 HydrophobicContact CG-CD2 4.36Å; L211-Y231 HydrophobicContact CG-CG 4.14Å; A227-Y231 WeakPolarHBondContact O-CB 3.48Å; A227-Y231 PolarHBondContact O-N 2.62Å; F228-Y231 HydrophobicContact CD2-CD1 4.4Å; F228-Y231 WeakPolarHBondContact O-CB 3.34Å; F228-Y231 PolarHBondContact O-N 3.5Å; F228-Y231 VanDerWaalsContact O-N 3.07Å; Y231-Y233 VanDerWaalsContact C-N 3.33Å; Y231-Y233 PolarHBondContact O-N 3.34Å; Y231-Y234 PolarHBondContact O-N 2.72Å; Y231-L235 HydrophobicContact CE1-CD2 3.96Å; Y231-L235 WeakPolarHBondContact O-CB 3.36Å; Y231-L235 PolarHBondContact O-N 2.83Å
232	Q	90.9	Very high	80.4	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.009	28%	0.283	C	S	.	.	H	α-helix	trans	-63.9	-38.9	178.9	77.9	75.1	29.8	0	0	111.2	F228 C229 Y234 L235 S236 A244 P290 L291 C294	F228-Q232 HydrophobicContact CE2-CB 4.34Å; F228-Q232 HydrophobicContact CZ-CB 4.35Å; F228-Q232 PolarHBondContact O-N 3.19Å; C229-Q232 WeakPolarHBondContact O-CG 3.48Å; C229-Q232 PolarHBondContact O-NE2 2.94Å; Q232-Y234 PolarHBondContact O-N 3.34Å; Q232-L235 CarbonylContact O-C 3.45Å; Q232-L235 PolarHBondContact O-N 3.44Å; Q232-S236 VanDerWaalsContact O-CB 3.3Å; Q232-S236 WeakPolarHBondContact O-CB 3.22Å; Q232-S236 PolarHBondContact O-N 2.87Å; Q232-S236 PolarHBondContact O-OG 3.41Å; Q232-A244 HydrophobicContact CB-CB 3.8Å; Q232-A244 HydrophobicContact CG-CB 3.84Å; Q232-P290 PolarHBondContact NE2-O 2.95Å; Q232-L291 PolarHBondContact NE2-O 3.38Å; Q232-C294 HydrophobicContact CG-CB 4.13Å
233	Y	86.5	Confident	81.5	Confident	88 Å²	88	60.9 Å²	60.9	35%	0.345	27%	0.269	S	S	.	.	H	α-helix	trans	-58.1	-51.9	177.1	172.2	-110.7	0	0	0	111.3	C229 K230 Y231 L235 S236 T237 P290 L291	C229-Y233 VanDerWaalsContact O-CB 3.27Å; C229-Y233 WeakPolarHBondContact O-CB 3.18Å; C229-Y233 PolarHBondContact O-N 2.75Å; C229-Y233 VanDerWaalsContact O-N 3.08Å; K230-Y233 PolarHBondContact O-N 2.86Å; Y231-Y233 VanDerWaalsContact C-N 3.33Å; Y231-Y233 PolarHBondContact O-N 3.34Å; Y233-L235 VanDerWaalsContact C-N 3.27Å; Y233-L235 PolarHBondContact O-N 2.87Å; Y233-S236 PolarHBondContact O-N 2.8Å; Y233-S236 PolarHBondContact O-OG 3.43Å; Y233-T237 WeakPolarHBondContact O-CG2 3.46Å; Y233-T237 PolarHBondContact O-N 3.5Å; Y233-P290 HydrophobicContact CD2-CB 3.84Å; Y233-P290 VanDerWaalsContact CD2-O 3.3Å; Y233-P290 WeakPolarHBondContact CD2-O 3.46Å; Y233-P290 HydrophobicContact CE2-CB 3.72Å; Y233-L291 HydrophobicContact CD1-CD1 4.2Å; Y233-L291 HydrophobicContact CD2-CB 4.44Å; Y233-L291 HydrophobicContact CG-CD1 3.98Å
234	Y	84.3	Confident	82.3	Confident	161 Å²	161	58.5 Å²	58.5	63%	0.631	25%	0.252	S	S	*	.	H	α-helix	trans	-63.1	-34.4	178.2	-73.1	-63.5	0	0	0	112.6	K230 Y231 Q232 T237	K230-Y234 WeakPolarHBondContact O-CD2 3.44Å; K230-Y234 PolarHBondContact O-N 3.1Å; K230-Y234 VanDerWaalsContact O-N 3.12Å; Y231-Y234 PolarHBondContact O-N 2.72Å; Q232-Y234 PolarHBondContact O-N 3.34Å; Y234-T237 PolarHBondContact O-OG1 3.36Å
235	L	84.8	Confident	82.7	Confident	42 Å²	42	58.5 Å²	58.5	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-72.1	-35.4	177.5	-160.7	66	0	0	0	112.2	F149 Y231 Q232 Y233 T237 R238 W241	F149-L235 HydrophobicContact CE1-CD2 3.72Å; F149-L235 HydrophobicContact CZ-CD2 3.74Å; Y231-L235 HydrophobicContact CE1-CD2 3.96Å; Y231-L235 WeakPolarHBondContact O-CB 3.36Å; Y231-L235 PolarHBondContact O-N 2.83Å; Q232-L235 CarbonylContact O-C 3.45Å; Q232-L235 PolarHBondContact O-N 3.44Å; Y233-L235 VanDerWaalsContact C-N 3.27Å; Y233-L235 PolarHBondContact O-N 2.87Å; L235-T237 VanDerWaalsContact C-N 3.27Å; L235-T237 PolarHBondContact O-N 2.85Å; L235-R238 PolarHBondContact O-N 2.84Å; L235-W241 HydrophobicContact CB-CH2 3.99Å; L235-W241 HydrophobicContact CB-CZ2 4.21Å; L235-W241 HydrophobicContact CD2-CH2 3.91Å; L235-W241 HydrophobicContact CD2-CZ2 4.43Å; L235-W241 HydrophobicContact CG-CH2 3.82Å; L235-W241 HydrophobicContact CG-CZ2 4.47Å
236	S	69.1	Low	83.1	Confident	26 Å²	26	58.5 Å²	58.5	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-24.5	-178.3	75.7	0	0	0	0	113	Q232 Y233 R238 R239	Q232-S236 VanDerWaalsContact O-CB 3.3Å; Q232-S236 WeakPolarHBondContact O-CB 3.22Å; Q232-S236 PolarHBondContact O-N 2.87Å; Q232-S236 PolarHBondContact O-OG 3.41Å; Y233-S236 PolarHBondContact O-N 2.8Å; Y233-S236 PolarHBondContact O-OG 3.43Å; S236-R238 PolarHBondContact O-N 3.18Å; S236-R239 CarbonylContact C-O 3.56Å; S236-R239 WeakPolarHBondContact CA-O 3.3Å; S236-R239 CarbonylContact O-C 3.59Å; S236-R239 PolarHBondContact O-N 3.39Å
237	T	60.1	Low	83.7	Confident	93 Å²	93	56.2 Å²	56.2	57%	0.571	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.2	174.4	65.2	0	0	0	0	113.5	Y233 Y234 L235	Y233-T237 WeakPolarHBondContact O-CG2 3.46Å; Y233-T237 PolarHBondContact O-N 3.5Å; Y234-T237 PolarHBondContact O-OG1 3.36Å; L235-T237 VanDerWaalsContact C-N 3.27Å; L235-T237 PolarHBondContact O-N 2.85Å
238	R	53.3	Low	83.8	Confident	226 Å²	226	55.4 Å²	55.4	85%	0.853	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-16.8	177.3	-60.5	-172.5	-178.3	-171.1	-0.4	114	L235 S236	L235-R238 PolarHBondContact O-N 2.84Å; S236-R238 PolarHBondContact O-N 3.18Å
239	R	55.3	Low	83.4	Confident	165 Å²	165	55.5 Å²	55.5	62%	0.623	23%	0.234	S	C	*	.	S	Bend	trans	-154.3	125.9	-172.7	-67	-169	-178.3	178.9	-1	110	S236 W241	S236-R239 CarbonylContact C-O 3.56Å; S236-R239 WeakPolarHBondContact CA-O 3.3Å; S236-R239 CarbonylContact O-C 3.59Å; S236-R239 PolarHBondContact O-N 3.39Å; R239-W241 HydrophobicContact CB-CE3 4.4Å; R239-W241 HydrophobicContact CB-CZ3 3.77Å; R239-W241 WeakPolarHBondContact O-CZ3 3.33Å
240	R	73.6	Confident	82.7	Confident	161 Å²	161	56.7 Å²	56.7	61%	0.608	24%	0.238	S	C	*	.			trans	-91.5	132	-168	-149.7	168.1	175.4	-178.6	5.1	111.8
241	W	88.3	Confident	81.4	Confident	17 Å²	17	53.6 Å²	53.6	6%	0.064	23%	0.225	C	C	.	.			trans	-146	159	166.3	50.3	77	0	0	0	107.7	A147 F149 V199 L235 R239	A147-W241 HydrophobicContact CB-CB 4.1Å; A147-W241 HydrophobicContact CB-CD2 3.46Å; A147-W241 VanDerWaalsContact CB-CD2 3.46Å; A147-W241 HydrophobicContact CB-CE3 3.81Å; A147-W241 HydrophobicContact CB-CG 3.59Å; A147-W241 HydrophobicContact CB-CZ3 4.47Å; F149-W241 HydrophobicContact CZ-CH2 4.44Å; F149-W241 HydrophobicContact CZ-CZ2 4.37Å; V199-W241 HydrophobicContact CG2-CB 3.66Å; L235-W241 HydrophobicContact CB-CH2 3.99Å; L235-W241 HydrophobicContact CB-CZ2 4.21Å; L235-W241 HydrophobicContact CD2-CH2 3.91Å; L235-W241 HydrophobicContact CD2-CZ2 4.43Å; L235-W241 HydrophobicContact CG-CH2 3.82Å; L235-W241 HydrophobicContact CG-CZ2 4.47Å; R239-W241 HydrophobicContact CB-CE3 4.4Å; R239-W241 HydrophobicContact CB-CZ3 3.77Å; R239-W241 WeakPolarHBondContact O-CZ3 3.33Å
242	D	90.5	Very high	79.3	Confident	9 Å²	9	56.5 Å²	56.5	5%	0.048	24%	0.238	C	C	.	.	S	Bend	trans	-86.6	-32.7	-179.4	-61	-36.9	0	0	0	112.3	M144 E145 S293 C364 L365	M144-D242 HydrophobicContact CG-CB 4.13Å; E145-D242 PolarHBondContact N-OD2 3.43Å; E145-D242 WeakPolarHBondContact O-CA 3.44Å; E145-D242 WeakPolarHBondContact O-CB 3.39Å; E145-D242 PolarHBondContact O-N 2.02Å; D242-S293 WeakPolarHBondContact O-CB 3.39Å; D242-S293 PolarHBondContact O-OG 3.37Å; D242-C364 VanDerWaalsContact CG-SG 3.54Å; D242-C364 VanDerWaalsContact OD1-CB 3.26Å; D242-C364 WeakPolarHBondContact OD1-CB 3.32Å; D242-C364 PolarHBondContact OD1-SG 2.9Å; D242-C364 VanDerWaalsContact OD1-SG 3.34Å; D242-L365 HydrophobicContact CB-CD2 4.35Å
243	F	93.2	Very high	76.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	135.9	-175.2	-154.7	-127.1	0	0	0	112.8	M144 E145 I146 A147 V287 S293 C294 L295 I312	M144-F243 HydrophobicContact CG-CB 4.23Å; M144-F243 HydrophobicContact SD-CB 3.8Å; M144-F243 HydrophobicContact SD-CD1 4.2Å; M144-F243 HydrophobicContact SD-CG 4.3Å; E145-F243 PolarHBondContact O-N 3.1Å; I146-F243 VanDerWaalsContact CA-O 3.29Å; I146-F243 WeakPolarHBondContact CA-O 3.4Å; I146-F243 HydrophobicContact CG2-CB 4.43Å; A147-F243 PolarHBondContact N-O 2.69Å; F243-V287 HydrophobicContact CB-CG2 4.47Å; F243-V287 HydrophobicContact CD1-CG2 4.3Å; F243-V287 HydrophobicContact CD2-CB 4.4Å; F243-V287 HydrophobicContact CD2-CG2 3.58Å; F243-V287 HydrophobicContact CE1-CG2 4.4Å; F243-V287 HydrophobicContact CE2-CG2 3.77Å; F243-V287 HydrophobicContact CG-CG2 3.9Å; F243-V287 HydrophobicContact CZ-CG2 4.19Å; F243-S293 VanDerWaalsContact CD2-CA 3.46Å; F243-C294 VanDerWaalsContact CE2-N 3.32Å; F243-L295 HydrophobicContact CD1-CD2 4.26Å; F243-L295 HydrophobicContact CE1-CB 4.13Å; F243-L295 HydrophobicContact CE1-CD2 3.45Å; F243-L295 VanDerWaalsContact CE1-CD2 3.45Å; F243-L295 HydrophobicContact CE1-CG 3.93Å; F243-L295 HydrophobicContact CZ-CB 4.12Å; F243-L295 HydrophobicContact CZ-CD2 4.24Å; F243-L295 HydrophobicContact CZ-CG 4.43Å; F243-I312 HydrophobicContact CD1-CG1 4.35Å; F243-I312 HydrophobicContact CE1-CG1 4.05Å
244	A	94.2	Very high	73.8	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	135	-179.1	0	0	0	0	0	111.8	A147 F149 F228 Q232 S293 C294 L295	A147-A244 CarbonylContact O-C 3.5Å; A147-A244 WeakPolarHBondContact O-CA 3.49Å; F149-A244 HydrophobicContact CE2-CB 4.12Å; F228-A244 HydrophobicContact CE1-CB 4.01Å; F228-A244 HydrophobicContact CZ-CB 3.74Å; Q232-A244 HydrophobicContact CB-CB 3.8Å; Q232-A244 HydrophobicContact CG-CB 3.84Å; A244-S293 WeakPolarHBondContact CB-O 3.33Å; A244-S293 PolarHBondContact N-O 3.04Å; A244-C294 CarbonylContact O-C 3.59Å; A244-C294 VanDerWaalsContact O-CA 3.27Å; A244-C294 WeakPolarHBondContact O-CA 3.42Å; A244-L295 PolarHBondContact O-N 3.49Å
245	L	95.8	Very high	71	Confident	0 Å²	0	69 Å²	69	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.2	-179.1	-52.9	95.1	0	0	0	109.9	I146 A147 I148 F149 I178 F247 L295 T308 I312	I146-L245 HydrophobicContact CB-CD1 3.6Å; I146-L245 HydrophobicContact CD1-CD1 4.04Å; I146-L245 HydrophobicContact CG1-CD1 4.32Å; I146-L245 HydrophobicContact CG2-CD1 3.98Å; A147-L245 PolarHBondContact O-N 2.82Å; I148-L245 HydrophobicContact CG1-CD1 4.19Å; F149-L245 PolarHBondContact N-O 3.4Å; I178-L245 HydrophobicContact CD1-CD2 4.45Å; L245-F247 HydrophobicContact CB-CE2 4.18Å; L245-L295 HydrophobicContact CB-CD1 3.8Å; L245-L295 HydrophobicContact CB-CG 4.15Å; L245-L295 HydrophobicContact CD2-CD1 4.07Å; L245-L295 HydrophobicContact CD2-CD2 3.77Å; L245-L295 HydrophobicContact CD2-CG 4.16Å; L245-L295 HydrophobicContact CG-CD1 4.05Å; L245-L295 HydrophobicContact CG-CD2 4.04Å; L245-L295 HydrophobicContact CG-CG 3.96Å; L245-T308 HydrophobicContact CD2-CG2 3.5Å; L245-I312 HydrophobicContact CD2-CD1 4.17Å; L245-I312 HydrophobicContact CD2-CG1 4.44Å
246	L	95.6	Very high	68.4	Low	0 Å²	0	70.1 Å²	70.1	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117.1	170.6	-178.4	60.2	0	0	0	110.4	F149 D151 F204 Y224 F228 L295 L296 A297	F149-L246 HydrophobicContact CB-CD1 3.78Å; F149-L246 CarbonylContact O-C 3.49Å; F149-L246 WeakPolarHBondContact O-CA 3.1Å; D151-L246 HydrophobicContact CB-CD1 4.24Å; F204-L246 HydrophobicContact CE2-CD1 4.28Å; Y224-L246 HydrophobicContact CD2-CD2 4.16Å; Y224-L246 HydrophobicContact CE1-CD2 4.36Å; Y224-L246 HydrophobicContact CE2-CD2 3.58Å; F228-L246 HydrophobicContact CB-CD2 3.86Å; F228-L246 HydrophobicContact CD1-CB 3.7Å; F228-L246 HydrophobicContact CD1-CD2 4.35Å; F228-L246 HydrophobicContact CD2-CB 3.91Å; F228-L246 HydrophobicContact CD2-CD1 4.47Å; F228-L246 HydrophobicContact CD2-CD2 3.74Å; F228-L246 HydrophobicContact CD2-CG 4.26Å; F228-L246 HydrophobicContact CE1-CB 3.62Å; F228-L246 HydrophobicContact CE2-CB 3.83Å; F228-L246 HydrophobicContact CE2-CD1 4.42Å; F228-L246 HydrophobicContact CE2-CD2 4.4Å; F228-L246 HydrophobicContact CE2-CG 4.45Å; F228-L246 HydrophobicContact CG-CB 3.85Å; F228-L246 HydrophobicContact CG-CD2 3.71Å; F228-L246 HydrophobicContact CG-CG 4.39Å; F228-L246 HydrophobicContact CZ-CB 3.68Å; L246-L295 PolarHBondContact N-O 3.43Å; L246-L296 HydrophobicContact CB-CD1 4.17Å; L246-L296 HydrophobicContact CD2-CD1 3.92Å; L246-L296 HydrophobicContact CG-CD1 3.92Å; L246-L296 WeakPolarHBondContact O-CA 3.15Å; L246-A297 PolarHBondContact O-N 3.12Å
247	F	94.4	Very high	66.4	Low	0 Å²	0	75.8 Å²	75.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.4	170.9	-71.7	-83.7	0	0	0	110.6	I148 F149 V150 D151 L154 M174 V177 L245 A297 T308	I148-F247 HydrophobicContact CG2-CD2 3.94Å; I148-F247 HydrophobicContact CG2-CE2 4.02Å; F149-F247 PolarHBondContact O-N 2.04Å; V150-F247 HydrophobicContact CG2-CB 4.44Å; D151-F247 PolarHBondContact N-O 2.73Å; L154-F247 HydrophobicContact CD2-CB 3.95Å; M174-F247 HydrophobicContact CE-CB 4.28Å; M174-F247 HydrophobicContact CE-CD1 3.99Å; M174-F247 HydrophobicContact CE-CD2 4.25Å; M174-F247 HydrophobicContact CE-CE1 4.38Å; M174-F247 HydrophobicContact CE-CG 3.9Å; M174-F247 HydrophobicContact SD-CB 4.15Å; M174-F247 HydrophobicContact SD-CD1 4.32Å; M174-F247 HydrophobicContact SD-CD2 3.49Å; M174-F247 WeakPolarHBondContact SD-CD2 3.31Å; M174-F247 HydrophobicContact SD-CE2 3.89Å; M174-F247 HydrophobicContact SD-CG 3.72Å; M174-F247 HydrophobicContact SD-CZ 4.45Å; V177-F247 HydrophobicContact CG1-CE1 4.22Å; V177-F247 HydrophobicContact CG1-CZ 4.07Å; L245-F247 HydrophobicContact CB-CE2 4.18Å; F247-A297 WeakPolarHBondContact CA-O 3.27Å; F247-A297 HydrophobicContact CD1-CB 4.26Å; F247-A297 HydrophobicContact CE1-CB 4.18Å; F247-T308 VanDerWaalsContact CE1-OG1 3.29Å; F247-T308 WeakPolarHBondContact CE1-OG1 3.48Å; F247-T308 HydrophobicContact CZ-CG2 4.13Å; F247-T308 WeakPolarHBondContact CZ-OG1 3.45Å
248	S	90.5	Very high	64.8	Low	1 Å²	1	80.4 Å²	80.4	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.5	-173.9	-175.5	0	0	0	0	114.1	D151 Y250 A297 G299	D151-S248 WeakPolarHBondContact OD1-CA 3.43Å; D151-S248 WeakPolarHBondContact OD2-CA 3.45Å; D151-S248 VanDerWaalsContact OD2-CB 3.24Å; D151-S248 WeakPolarHBondContact OD2-CB 3.46Å; D151-S248 PolarHBondContact OD2-OG 3.04Å; S248-Y250 WeakPolarHBondContact OG-CD2 3.26Å; S248-Y250 PolarHBondContact OG-N 2.51Å; S248-A297 PolarHBondContact N-O 3.13Å; S248-G299 PolarHBondContact O-N 3.07Å
249	G	84.1	Confident	63.6	Low	1 Å²	1	75.4 Å²	75.4	1%	0.01	35%	0.348	C	S	.	.			trans	-100.2	4.6	172.5	0	0	0	0	0	115	D151 K157 K251	D151-G249 PolarHBondContact OD1-N 2.84Å; K157-G249 WeakPolarHBondContact CE-O 3.06Å; K157-G249 PolarHBondContact NZ-O 3.49Å; G249-K251 PolarHBondContact O-N 2.98Å
250	Y	74.1	Confident	62.3	Low	28 Å²	28	73.5 Å²	73.5	11%	0.11	36%	0.355	C	S	.	.			trans	-64.3	114.9	-177.1	-83.6	-79.6	0	0	0	112.7	D151 E153 G213 H216 H218 Y224 S248	D151-Y250 WeakPolarHBondContact OD2-CD2 2.97Å; E153-Y250 HydrophobicContact CB-CD2 4.36Å; E153-Y250 HydrophobicContact CB-CE2 4.49Å; E153-Y250 HydrophobicContact CG-CD1 3.88Å; E153-Y250 HydrophobicContact CG-CD2 3.85Å; E153-Y250 HydrophobicContact CG-CE1 3.68Å; E153-Y250 HydrophobicContact CG-CE2 3.65Å; E153-Y250 HydrophobicContact CG-CG 3.95Å; G213-Y250 VanDerWaalsContact CA-OH 3.3Å; G213-Y250 WeakPolarHBondContact CA-OH 3.43Å; H216-Y250 AromaticContact CE1-CE2 3.62Å; H216-Y250 AromaticContact CE1-CZ 3.81Å; H218-Y250 HydrophobicContact CB-CE1 4.47Å; H218-Y250 WeakPolarHBondContact O-CD1 3.4Å; Y224-Y250 AromaticContact CE1-CD2 3.73Å; Y224-Y250 HydrophobicContact CE1-CD2 3.73Å; Y224-Y250 AromaticContact CE1-CE2 3.89Å; Y224-Y250 HydrophobicContact CE1-CE2 3.89Å; S248-Y250 WeakPolarHBondContact OG-CD2 3.26Å; S248-Y250 PolarHBondContact OG-N 2.51Å
251	K	60.4	Low	60.3	Low	63 Å²	63	72.5 Å²	72.5	27%	0.274	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-109.2	127.6	166.2	-81	-178.9	178.1	176.7	0	108.8	G249 N253 D268 T300	G249-K251 PolarHBondContact O-N 2.98Å; K251-N253 PolarHBondContact O-N 2.84Å; K251-D268 VanDerWaalsContact CE-CG 3.43Å; K251-D268 WeakPolarHBondContact CE-OD1 3.44Å; K251-D268 WeakPolarHBondContact CE-OD2 3.48Å; K251-D268 WeakPolarHBondContact CG-OD1 3.31Å; K251-D268 IonicContact NZ-OD2 2.77Å; K251-T300 PolarHBondContact NZ-OG1 3.45Å
252	K	45.3	Very low	57.4	Low	103 Å²	103	83.8 Å²	83.8	45%	0.448	41%	0.409	S	S	.	.			trans	-78.9	106.8	170	-168.6	-177	-179.7	-172.6	0	107.8	W254 Y267 H270	K252-W254 PolarHBondContact O-N 3.21Å; K252-W254 VanDerWaalsContact O-N 3.12Å; K252-Y267 PolarHBondContact N-O 2.85Å; K252-H270 WeakPolarHBondContact CB-CD2 3.45Å; K252-H270 WeakPolarHBondContact CB-NE2 3.06Å
253	N	34.5	Very low	54.4	Low	147 Å²	147	94.4 Å²	94.4	79%	0.786	45%	0.448	S	S	*	.			trans	-72	98.7	162.2	-78.8	-9.9	0	0	0	107.6	K251 M255	K251-N253 PolarHBondContact O-N 2.84Å; N253-M255 PolarHBondContact O-N 3.48Å
254	W	28.2	Very low	51.4	Low	193 Å²	193	101.3 Å²	101.3	73%	0.731	48%	0.484	S	S	*	.			trans	-71.8	85.2	154.9	-170.7	-89.4	0	0	0	107	K252 S256	K252-W254 PolarHBondContact O-N 3.21Å; K252-W254 VanDerWaalsContact O-N 3.12Å; W254-S256 VanDerWaalsContact NE1-CB 3.31Å; W254-S256 PolarHBondContact NE1-OG 3.42Å; W254-S256 PolarHBondContact O-N 2.95Å
255	M	26.6	Very low	48.1	Very low	173 Å²	173	104.5 Å²	104.5	85%	0.852	51%	0.505	S	S	*	.			trans	-74.9	86	161.8	-156.7	162.1	91.5	0	0	105.7	N253 I257	N253-M255 PolarHBondContact O-N 3.48Å; M255-I257 PolarHBondContact O-N 3.05Å
256	S	28.4	Very low	45.1	Very low	66 Å²	66	112 Å²	112	46%	0.462	53%	0.533	S	S	.	.			trans	-64.1	110.6	165	-153.4	0	0	0	0	106.3	W254 Y258	W254-S256 VanDerWaalsContact NE1-CB 3.31Å; W254-S256 PolarHBondContact NE1-OG 3.42Å; W254-S256 PolarHBondContact O-N 2.95Å; S256-Y258 VanDerWaalsContact C-N 3.3Å; S256-Y258 PolarHBondContact O-N 3.28Å
257	I	28.3	Very low	42.2	Very low	145 Å²	145	117.1 Å²	117.1	74%	0.744	55%	0.554	S	S	*	*	S	Bend	trans	-40.5	104.6	142.2	-60	169.4	0	0	0	105.7	M255	M255-I257 PolarHBondContact O-N 3.05Å
258	Y	25.4	Very low	40.2	Very low	190 Å²	190	117.7 Å²	117.7	75%	0.745	56%	0.557	S	S	*	*			trans	155	103.8	161.6	-80.4	-58.9	0	0	0	108.7	S256 T260	S256-Y258 VanDerWaalsContact C-N 3.3Å; S256-Y258 PolarHBondContact O-N 3.28Å; Y258-T260 PolarHBondContact O-N 3.08Å; Y258-T260 VanDerWaalsContact O-N 3.08Å
259	P	28.7	Very low	38.2	Very low	122 Å²	122	117.8 Å²	117.8	79%	0.792	56%	0.557	S	S	*	*	S	Bend	trans	-82.8	86.1	-178.9	33	-28.9	0	0	0	108.4
260	T	28.6	Very low	36.4	Very low	125 Å²	125	119.4 Å²	119.4	77%	0.767	57%	0.565	S	S	*	*	S	Bend	trans	179	56.8	162.8	32.9	0	0	0	0	112	Y258	Y258-T260 PolarHBondContact O-N 3.08Å; Y258-T260 VanDerWaalsContact O-N 3.08Å
261	T	30.5	Very low	34.7	Very low	139 Å²	139	121.4 Å²	121.4	85%	0.853	57%	0.572	S	S	*	*			trans	-173.3	106.2	149.4	14.3	0	0	0	0	109.9	R263	T261-R263 PolarHBondContact O-N 2.86Å
262	R	28.6	Very low	34.1	Very low	255 Å²	255	122.4 Å²	122.4	96%	0.962	59%	0.585	S	S	*	*			trans	-68.2	91.1	171.2	-80.8	179.8	176.8	170.7	-1.2	109.7
263	R	27.9	Very low	33.9	Very low	231 Å²	231	124.1 Å²	124.1	87%	0.872	61%	0.607	S	S	*	*			trans	-126.9	96.1	155.8	-86.1	-172.2	-175.2	178.2	4.4	108.8	T261 C265	T261-R263 PolarHBondContact O-N 2.86Å; R263-C265 PolarHBondContact O-N 2.77Å
264	I	28.7	Very low	34	Very low	145 Å²	145	119.4 Å²	119.4	74%	0.744	59%	0.585	S	S	*	*			trans	-78.4	101.2	170	-60.1	169.6	0	0	0	106.9	R266	I264-R266 HydrophobicContact CG2-CG 4.29Å
265	C	25.3	Very low	34.6	Very low	67 Å²	67	118.3 Å²	118.3	45%	0.453	59%	0.594	S	S	.	*			trans	-99.4	112	156.9	-64.3	0	0	0	0	107	R263 Y267	R263-C265 PolarHBondContact O-N 2.77Å; C265-Y267 HydrophobicContact CB-CD1 4.12Å; C265-Y267 HydrophobicContact CB-CD2 3.82Å; C265-Y267 HydrophobicContact CB-CE1 3.58Å; C265-Y267 HydrophobicContact CB-CE2 3.24Å; C265-Y267 HydrophobicContact CB-CG 4.25Å; C265-Y267 VanDerWaalsContact CB-OH 3.32Å; C265-Y267 WeakPolarHBondContact CB-OH 3.48Å; C265-Y267 PolarHBondContact O-N 3.34Å; C265-Y267 PolarHBondContact SG-OH 3.36Å; C265-Y267 VanDerWaalsContact SG-OH 3.34Å
266	R	33.8	Very low	35.5	Very low	157 Å²	157	116 Å²	116	59%	0.592	58%	0.576	S	S	*	*			trans	-75.2	120.1	168.9	-84.3	180	-118.7	-163.1	0.7	106.8	I264	I264-R266 HydrophobicContact CG2-CG 4.29Å
267	Y	34.2	Very low	36.6	Very low	108 Å²	108	115.4 Å²	115.4	42%	0.424	57%	0.569	S	S	.	*			trans	-126.5	115.3	-175.4	-71.3	-44.5	0	0	0	109.5	K252 C265 H270 T277	K252-Y267 PolarHBondContact N-O 2.85Å; C265-Y267 HydrophobicContact CB-CD1 4.12Å; C265-Y267 HydrophobicContact CB-CD2 3.82Å; C265-Y267 HydrophobicContact CB-CE1 3.58Å; C265-Y267 HydrophobicContact CB-CE2 3.24Å; C265-Y267 HydrophobicContact CB-CG 4.25Å; C265-Y267 VanDerWaalsContact CB-OH 3.32Å; C265-Y267 WeakPolarHBondContact CB-OH 3.48Å; C265-Y267 PolarHBondContact O-N 3.34Å; C265-Y267 PolarHBondContact SG-OH 3.36Å; C265-Y267 VanDerWaalsContact SG-OH 3.34Å; Y267-H270 VanDerWaalsContact CB-CE1 3.48Å; Y267-H270 WeakPolarHBondContact CB-CE1 3.04Å; Y267-H270 PolarHBondContact O-NE2 2.86Å; Y267-T277 HydrophobicContact CD1-CG2 3.54Å; Y267-T277 HydrophobicContact CE1-CG2 4.47Å; Y267-T277 HydrophobicContact CG-CG2 3.66Å
268	D	51	Low	38.2	Very low	13 Å²	13	109 Å²	109	7%	0.07	54%	0.536	C	S	.	.	B	Isolated β-bridge	trans	-89.1	173.4	177.6	-65.8	-81.7	0	0	0	111.6	K251 H270 E298	K251-D268 VanDerWaalsContact CE-CG 3.43Å; K251-D268 WeakPolarHBondContact CE-OD1 3.44Å; K251-D268 WeakPolarHBondContact CE-OD2 3.48Å; K251-D268 WeakPolarHBondContact CG-OD1 3.31Å; K251-D268 IonicContact NZ-OD2 2.77Å; D268-H270 PolarHBondContact O-CD2 2.96Å; D268-H270 VanDerWaalsContact O-CD2 3.28Å; D268-H270 PolarHBondContact O-NE2 2.74Å; D268-E298 HydrophobicContact CB-CG 4.08Å; D268-E298 WeakPolarHBondContact CB-OE2 3.27Å
269	I	50.2	Low	40.5	Very low	3 Å²	3	101.7 Å²	101.7	2%	0.015	51%	0.513	C	S	.	.	S	Bend	trans	-1.1	115	-174.7	-44	176.9	0	0	0	115.6	G219 A221 I278 L296	G219-I269 WeakPolarHBondContact O-CG2 3.4Å; A221-I269 HydrophobicContact CB-CG2 3.46Å; A221-I269 VanDerWaalsContact CB-CG2 3.46Å; I269-I278 PolarHBondContact O-N 2.99Å; I269-I278 VanDerWaalsContact O-N 3.16Å; I269-L296 HydrophobicContact CD1-CD1 4.07Å; I269-L296 HydrophobicContact CD1-CD2 3.94Å; I269-L296 HydrophobicContact CD1-CG 3.77Å; I269-L296 HydrophobicContact CG2-CD2 4.23Å
270	H	45	Very low	42.9	Very low	35 Å²	35	96 Å²	96	16%	0.162	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-100.5	144	-165.9	-69.5	-99.7	0	0	0	113.1	G219 N220 A221 K252 Y267 D268	G219-H270 PolarHBondContact O-N 3.35Å; G219-H270 VanDerWaalsContact O-N 3.08Å; N220-H270 WeakPolarHBondContact CA-O 3.44Å; A221-H270 PolarHBondContact N-O 3.27Å; A221-H270 VanDerWaalsContact N-O 3.1Å; K252-H270 WeakPolarHBondContact CB-CD2 3.45Å; K252-H270 WeakPolarHBondContact CB-NE2 3.06Å; Y267-H270 VanDerWaalsContact CB-CE1 3.48Å; Y267-H270 WeakPolarHBondContact CB-CE1 3.04Å; Y267-H270 PolarHBondContact O-NE2 2.86Å; D268-H270 PolarHBondContact O-CD2 2.96Å; D268-H270 VanDerWaalsContact O-CD2 3.28Å; D268-H270 PolarHBondContact O-NE2 2.74Å
271	R	39.9	Very low	45.4	Very low	69 Å²	69	90.2 Å²	90.2	26%	0.26	44%	0.44	S	S	.	.			trans	-114.7	96.3	171.5	-175.6	175	-177.1	148.2	-0	111	S274 I278	R271-S274 PolarHBondContact O-N 3.39Å; R271-S274 PolarHBondContact O-OG 2.91Å; R271-I278 HydrophobicContact CB-CD1 3.8Å; R271-I278 HydrophobicContact CB-CG1 4.45Å; R271-I278 HydrophobicContact CG-CD1 4.29Å
272	P	46.4	Very low	48	Very low	84 Å²	84	83.6 Å²	83.6	55%	0.545	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	144.7	170.5	-11.7	27.1	0	0	0	110.9	N220	N220-P272 WeakPolarHBondContact ND2-CD 3.23Å; N220-P272 WeakPolarHBondContact ND2-CG 3.44Å
273	P	40.8	Very low	50.2	Low	140 Å²	140	72.9 Å²	72.9	91%	0.909	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	cis	-100.2	19.9	-0.6	36.2	-27	0	0	0	114
274	S	36.9	Very low	52.4	Low	48 Å²	48	62.8 Å²	62.8	34%	0.336	32%	0.323	S	S	.	.	S	Bend	trans	-87.3	128.6	172.6	56.5	0	0	0	0	109.9	R271 R276	R271-S274 PolarHBondContact O-N 3.39Å; R271-S274 PolarHBondContact O-OG 2.91Å; S274-R276 PolarHBondContact O-N 2.9Å
275	D	42.2	Very low	54.7	Low	170 Å²	170	58.6 Å²	58.6	91%	0.909	30%	0.298	S	S	*	.	S	Bend	trans	-64.5	25.3	171.7	-89.4	-23.7	0	0	0	114
276	R	45.2	Very low	57.2	Low	125 Å²	125	55.4 Å²	55.4	47%	0.472	28%	0.277	S	S	.	.			trans	-99.1	118.3	179.9	-61	-174.7	-172.6	-157.9	-1.5	109.3	P95 S274	P95-R276 PolarHBondContact O-NH2 2.75Å; S274-R276 PolarHBondContact O-N 2.9Å
277	T	51.9	Low	59.7	Low	53 Å²	53	48 Å²	48	33%	0.325	25%	0.249	S	C	.	.	B	Isolated β-bridge	trans	-75.8	140.7	170.1	49.6	0	0	0	0	110.1	Y267	Y267-T277 HydrophobicContact CD1-CG2 3.54Å; Y267-T277 HydrophobicContact CE1-CG2 4.47Å; Y267-T277 HydrophobicContact CG-CG2 3.66Å
278	I	60.9	Low	62.1	Low	9 Å²	9	43.9 Å²	43.9	5%	0.046	24%	0.236	C	C	.	.			trans	-118.5	126.6	177.5	-62.6	179.6	0	0	0	106.8	C104 I269 R271 G280	C104-I278 HydrophobicContact CB-CG1 4.36Å; C104-I278 HydrophobicContact CB-CG2 4.36Å; I269-I278 PolarHBondContact O-N 2.99Å; I269-I278 VanDerWaalsContact O-N 3.16Å; R271-I278 HydrophobicContact CB-CD1 3.8Å; R271-I278 HydrophobicContact CB-CG1 4.45Å; R271-I278 HydrophobicContact CG-CD1 4.29Å; I278-G280 WeakPolarHBondContact CG2-O 3.42Å
279	S	73	Confident	63.5	Low	38 Å²	38	44.3 Å²	44.3	27%	0.266	24%	0.238	S	C	.	.	S	Bend	trans	-83.9	-18.7	-179.1	-53.8	0	0	0	0	113.3	E298 I307	S279-E298 WeakPolarHBondContact O-CB 3.47Å; S279-E298 PolarHBondContact O-N 2.95Å; S279-I307 VanDerWaalsContact CB-CD1 3.42Å; S279-I307 WeakPolarHBondContact O-CG2 3.4Å
280	G	79.1	Confident	64.7	Low	2 Å²	2	48 Å²	48	2%	0.021	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	156.2	176.3	0	0	0	0	0	112.8	I278 L296 E311	I278-G280 WeakPolarHBondContact CG2-O 3.42Å; G280-L296 CarbonylContact C-O 3.6Å; G280-L296 VanDerWaalsContact CA-O 3.23Å; G280-L296 WeakPolarHBondContact CA-O 3.28Å; G280-E311 VanDerWaalsContact C-CD 3.4Å; G280-E311 VanDerWaalsContact C-OE1 3.23Å
281	I	82.4	Confident	66.1	Low	3 Å²	3	49.3 Å²	49.3	2%	0.015	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	133.4	179.7	-167.2	-170.6	0	0	0	109.7	G105 A221 L222 L225 L296 E311	G105-I281 WeakPolarHBondContact O-CA 3.26Å; G105-I281 WeakPolarHBondContact O-CG1 3.44Å; A221-I281 HydrophobicContact CB-CD1 4.13Å; A221-I281 HydrophobicContact CB-CG2 4.21Å; L222-I281 HydrophobicContact CB-CD1 4.29Å; L222-I281 HydrophobicContact CD1-CD1 4.25Å; L225-I281 HydrophobicContact CB-CD1 4.38Å; L225-I281 HydrophobicContact CB-CG2 3.93Å; L225-I281 HydrophobicContact CD1-CG2 4.46Å; L225-I281 HydrophobicContact CD2-CB 4.41Å; L225-I281 HydrophobicContact CD2-CD1 3.85Å; L225-I281 HydrophobicContact CD2-CG1 3.82Å; L225-I281 HydrophobicContact CD2-CG2 4.09Å; L225-I281 HydrophobicContact CG-CG2 4.38Å; I281-L296 HydrophobicContact CG2-CB 3.75Å; I281-L296 HydrophobicContact CG2-CD2 3.86Å; I281-L296 HydrophobicContact CG2-CG 4.15Å; I281-L296 PolarHBondContact N-O 3.5Å; I281-L296 PolarHBondContact O-N 3.39Å; I281-E311 WeakPolarHBondContact CA-OE2 3.48Å
282	A	85.3	Confident	68	Low	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.9	175.1	0	0	0	0	0	111.2	G105 L295 E311 H314	G105-A282 PolarHBondContact O-N 3.21Å; G105-A282 VanDerWaalsContact O-N 3.16Å; G105-A282 VanDerWaalsContact O-O 3.08Å; A282-L295 HydrophobicContact CB-CB 3.84Å; A282-E311 HydrophobicContact CB-CB 3.9Å; A282-E311 VanDerWaalsContact CB-O 3.28Å; A282-E311 WeakPolarHBondContact CB-O 3.14Å; A282-E311 WeakPolarHBondContact CB-OE2 3.02Å; A282-E311 PolarHBondContact N-OE2 3.04Å; A282-H314 HydrophobicContact CB-CB 4.14Å
283	R	74.3	Confident	69.9	Low	30 Å²	30	43 Å²	43	11%	0.113	24%	0.237	C	C	.	.			trans	-85.4	133	171	-65.8	-173.8	179.2	-76.7	4.9	109.8	D107 L225 N226 Y285 G286 N292 G315	D107-R283 IonicContact OD2-CZ 2.71Å; D107-R283 IonicContact OD2-NH1 3.22Å; D107-R283 PolarHBondContact OD2-NH1 3.44Å; L225-R283 HydrophobicContact CD2-CG 4.19Å; N226-R283 PolarHBondContact OD1-NH2 2.97Å; R283-Y285 PolarHBondContact O-N 3.45Å; R283-G286 PolarHBondContact O-N 3.12Å; R283-G286 VanDerWaalsContact O-N 3.15Å; R283-N292 HydrophobicContact CB-CB 4.31Å; R283-N292 VanDerWaalsContact CD-CB 3.43Å; R283-N292 VanDerWaalsContact CD-CG 3.41Å; R283-N292 WeakPolarHBondContact CD-OD1 3.38Å; R283-N292 PolarHBondContact NE-OD1 3.41Å; R283-G315 WeakPolarHBondContact O-CA 2.94Å
284	L	73.5	Confident	72.3	Confident	19 Å²	19	36.3 Å²	36.3	10%	0.099	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	133.2	171.4	-168.9	70.3	0	0	0	109.3	V106 G286 H314 M318 L319	V106-L284 HydrophobicContact CG1-CB 3.85Å; L284-G286 PolarHBondContact O-N 3.13Å; L284-H314 CarbonylContact C-O 3.56Å; L284-H314 VanDerWaalsContact CA-O 3.27Å; L284-H314 WeakPolarHBondContact CA-O 3.12Å; L284-M318 WeakPolarHBondContact CD1-O 3.27Å; L284-L319 HydrophobicContact CD1-CD2 3.94Å; L284-L319 HydrophobicContact CD2-CD2 3.53Å; L284-L319 HydrophobicContact CG-CD2 4.42Å
285	Y	77.6	Confident	75	Confident	57 Å²	57	34 Å²	34	22%	0.224	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	24.6	-175.4	-44.1	-67.6	0	0	0	113.8	M114 R283 V287 H314 G315 Y353	M114-Y285 WeakPolarHBondContact CE-O 3.33Å; R283-Y285 PolarHBondContact O-N 3.45Å; Y285-V287 VanDerWaalsContact C-N 3.34Å; Y285-V287 PolarHBondContact O-N 3.43Å; Y285-H314 PolarHBondContact N-O 3.48Å; Y285-G315 CarbonylContact C-O 3.58Å; Y285-G315 VanDerWaalsContact C-O 3.26Å; Y285-G315 WeakPolarHBondContact CA-O 3.49Å; Y285-Y353 AromaticContact CD1-CD2 3.39Å; Y285-Y353 HydrophobicContact CD1-CD2 3.39Å; Y285-Y353 AromaticContact CD1-CE2 3.67Å; Y285-Y353 HydrophobicContact CD1-CE2 3.67Å; Y285-Y353 HydrophobicContact CD1-CG 4.01Å; Y285-Y353 HydrophobicContact CE1-CD2 4.15Å; Y285-Y353 HydrophobicContact CG-CD2 4.24Å; Y285-Y353 HydrophobicContact CG-CE2 4.07Å; Y285-Y353 PolarHBondContact O-OH 2.79Å
286	G	77.8	Confident	77.3	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.01	13%	0.134	C	C	.	.			trans	-67.5	-28.7	-178	0	0	0	0	0	114.8	R283 L284 D289 N292 S293 G315	R283-G286 PolarHBondContact O-N 3.12Å; R283-G286 VanDerWaalsContact O-N 3.15Å; L284-G286 PolarHBondContact O-N 3.13Å; G286-D289 WeakPolarHBondContact O-CB 3.32Å; G286-D289 PolarHBondContact O-N 3.04Å; G286-D289 VanDerWaalsContact O-N 3.1Å; G286-N292 VanDerWaalsContact CA-O 3.28Å; G286-N292 WeakPolarHBondContact CA-O 3.47Å; G286-N292 CarbonylContact O-C 3.6Å; G286-S293 VanDerWaalsContact O-CA 3.23Å; G286-S293 WeakPolarHBondContact O-CA 3.46Å; G286-S293 PolarHBondContact O-N 2.84Å; G286-S293 PolarHBondContact O-OG 2.87Å; G286-G315 PolarHBondContact N-O 3.43Å; G286-G315 VanDerWaalsContact N-O 3.07Å
287	V	86.6	Confident	79.5	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	135.7	-174.8	169.1	0	0	0	0	111.1	M144 F243 Y285 D289 G315 L316 Y353 L365	M144-V287 HydrophobicContact CE-CB 4.43Å; M144-V287 HydrophobicContact CE-CG1 3.84Å; M144-V287 HydrophobicContact CE-CG2 3.67Å; F243-V287 HydrophobicContact CB-CG2 4.47Å; F243-V287 HydrophobicContact CD1-CG2 4.3Å; F243-V287 HydrophobicContact CD2-CB 4.4Å; F243-V287 HydrophobicContact CD2-CG2 3.58Å; F243-V287 HydrophobicContact CE1-CG2 4.4Å; F243-V287 HydrophobicContact CE2-CG2 3.77Å; F243-V287 HydrophobicContact CG-CG2 3.9Å; F243-V287 HydrophobicContact CZ-CG2 4.19Å; Y285-V287 VanDerWaalsContact C-N 3.34Å; Y285-V287 PolarHBondContact O-N 3.43Å; V287-D289 PolarHBondContact O-N 3.19Å; V287-G315 WeakPolarHBondContact CB-O 3.49Å; V287-G315 VanDerWaalsContact CG2-C 3.47Å; V287-G315 WeakPolarHBondContact CG2-O 3.27Å; V287-G315 PolarHBondContact N-O 2.74Å; V287-L316 HydrophobicContact CB-CD2 4.11Å; V287-L316 HydrophobicContact CG1-CD2 3.97Å; V287-L316 HydrophobicContact CG2-CD2 3.97Å; V287-L316 HydrophobicContact CG2-CG 4.23Å; V287-Y353 HydrophobicContact CB-CE1 4.36Å; V287-Y353 PolarHBondContact O-OH 3.43Å; V287-L365 HydrophobicContact CG1-CD1 4.12Å; V287-L365 HydrophobicContact CG1-CD2 3.89Å; V287-L365 HydrophobicContact CG1-CG 4.26Å
288	C	84.7	Confident	81	Confident	23 Å²	23	18.1 Å²	18.1	16%	0.155	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	8.8	-171.6	-49.3	0	0	0	0	115.7	S293 L357 R362 C364	C288-S293 PolarHBondContact N-OG 2.91Å; C288-L357 HydrophobicContact CB-CD1 4.47Å; C288-L357 HydrophobicContact CB-CD2 4.05Å; C288-R362 WeakPolarHBondContact CB-O 2.94Å; C288-C364 WeakPolarHBondContact CA-SG 3.34Å; C288-C364 HydrophobicContact CB-CB 3.84Å; C288-C364 WeakPolarHBondContact CB-SG 3.4Å; C288-C364 WeakPolarHBondContact SG-CB 2.98Å; C288-C364 PolarHBondContact SG-N 2.8Å; C288-C364 CovalentContact SG-SG 2.04Å; C288-C364 PolarHBondContact SG-SG 3.34Å
289	D	80.4	Confident	82.1	Confident	22 Å²	22	17.7 Å²	17.7	12%	0.118	10%	0.097	C	C	.	.			trans	-99.9	116.4	169.7	-174.9	-88.8	0	0	0	110.4	M114 G286 V287 L291 N292 S293	M114-D289 HydrophobicContact CE-CB 3.58Å; G286-D289 WeakPolarHBondContact O-CB 3.32Å; G286-D289 PolarHBondContact O-N 3.04Å; G286-D289 VanDerWaalsContact O-N 3.1Å; V287-D289 PolarHBondContact O-N 3.19Å; D289-L291 PolarHBondContact O-N 3.45Å; D289-L291 PolarHBondContact OD1-N 2.85Å; D289-L291 VanDerWaalsContact OD1-N 3.16Å; D289-N292 HydrophobicContact CB-CB 3.97Å; D289-N292 PolarHBondContact O-N 3.34Å; D289-N292 VanDerWaalsContact O-N 3.13Å; D289-N292 WeakPolarHBondContact OD1-CB 3.24Å; D289-N292 VanDerWaalsContact OD1-CG 3.27Å; D289-N292 PolarHBondContact OD1-N 3.3Å; D289-N292 PolarHBondContact OD1-ND2 2.91Å; D289-S293 PolarHBondContact N-OG 3.19Å; D289-S293 WeakPolarHBondContact O-CB 3.46Å; D289-S293 PolarHBondContact O-N 3.4Å; D289-S293 PolarHBondContact O-OG 3.04Å
290	P	75.4	Confident	82.5	Confident	79 Å²	79	16.9 Å²	16.9	51%	0.513	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-36.5	-172.4	-29.9	35.4	0	0	0	114.7	Q232 Y233	Q232-P290 PolarHBondContact NE2-O 2.95Å; Y233-P290 HydrophobicContact CD2-CB 3.84Å; Y233-P290 VanDerWaalsContact CD2-O 3.3Å; Y233-P290 WeakPolarHBondContact CD2-O 3.46Å; Y233-P290 HydrophobicContact CE2-CB 3.72Å
291	L	74.3	Confident	82.9	Confident	64 Å²	64	17.4 Å²	17.4	34%	0.335	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-39.6	-178.3	-178.1	61.6	0	0	0	112.1	C229 K230 Q232 Y233 D289	C229-L291 WeakPolarHBondContact CB-O 3.49Å; K230-L291 HydrophobicContact CG-CD1 4.39Å; Q232-L291 PolarHBondContact NE2-O 3.38Å; Y233-L291 HydrophobicContact CD1-CD1 4.2Å; Y233-L291 HydrophobicContact CD2-CB 4.44Å; Y233-L291 HydrophobicContact CG-CD1 3.98Å; D289-L291 PolarHBondContact O-N 3.45Å; D289-L291 PolarHBondContact OD1-N 2.85Å; D289-L291 VanDerWaalsContact OD1-N 3.16Å
292	N	79	Confident	83.3	Confident	14 Å²	14	17.3 Å²	17.3	8%	0.075	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-0.3	-169.6	-59.3	-55.5	0	0	0	113.8	R283 G286 D289 C294	R283-N292 HydrophobicContact CB-CB 4.31Å; R283-N292 VanDerWaalsContact CD-CB 3.43Å; R283-N292 VanDerWaalsContact CD-CG 3.41Å; R283-N292 WeakPolarHBondContact CD-OD1 3.38Å; R283-N292 PolarHBondContact NE-OD1 3.41Å; G286-N292 VanDerWaalsContact CA-O 3.28Å; G286-N292 WeakPolarHBondContact CA-O 3.47Å; G286-N292 CarbonylContact O-C 3.6Å; D289-N292 HydrophobicContact CB-CB 3.97Å; D289-N292 PolarHBondContact O-N 3.34Å; D289-N292 VanDerWaalsContact O-N 3.13Å; D289-N292 WeakPolarHBondContact OD1-CB 3.24Å; D289-N292 VanDerWaalsContact OD1-CG 3.27Å; D289-N292 PolarHBondContact OD1-N 3.3Å; D289-N292 PolarHBondContact OD1-ND2 2.91Å; N292-C294 PolarHBondContact O-N 3.14Å; N292-C294 PolarHBondContact O-SG 3.47Å
293	S	86.8	Confident	83.3	Confident	5 Å²	5	18.3 Å²	18.3	4%	0.035	10%	0.1	C	C	.	.			trans	-68.5	59.1	172.2	-86.4	0	0	0	0	112.6	D242 F243 A244 G286 C288 D289	D242-S293 WeakPolarHBondContact O-CB 3.39Å; D242-S293 PolarHBondContact O-OG 3.37Å; F243-S293 VanDerWaalsContact CD2-CA 3.46Å; A244-S293 WeakPolarHBondContact CB-O 3.33Å; A244-S293 PolarHBondContact N-O 3.04Å; G286-S293 VanDerWaalsContact O-CA 3.23Å; G286-S293 WeakPolarHBondContact O-CA 3.46Å; G286-S293 PolarHBondContact O-N 2.84Å; G286-S293 PolarHBondContact O-OG 2.87Å; C288-S293 PolarHBondContact N-OG 2.91Å; D289-S293 PolarHBondContact N-OG 3.19Å; D289-S293 WeakPolarHBondContact O-CB 3.46Å; D289-S293 PolarHBondContact O-N 3.4Å; D289-S293 PolarHBondContact O-OG 3.04Å
294	C	90	Very high	84.1	Confident	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	139.9	-171.8	44.5	0	0	0	0	111.3	L225 F228 C229 Q232 F243 A244 N292	L225-C294 HydrophobicContact CD1-CB 4.43Å; F228-C294 HydrophobicContact CD1-CB 3.93Å; F228-C294 HydrophobicContact CE1-CB 4.04Å; C229-C294 VanDerWaalsContact CA-SG 3.55Å; C229-C294 HydrophobicContact CB-CB 3.92Å; C229-C294 WeakPolarHBondContact CB-SG 3.35Å; C229-C294 WeakPolarHBondContact SG-CB 3.32Å; C229-C294 CovalentContact SG-SG 2.01Å; C229-C294 PolarHBondContact SG-SG 3.34Å; Q232-C294 HydrophobicContact CG-CB 4.13Å; F243-C294 VanDerWaalsContact CE2-N 3.32Å; A244-C294 CarbonylContact O-C 3.59Å; A244-C294 VanDerWaalsContact O-CA 3.27Å; A244-C294 WeakPolarHBondContact O-CA 3.42Å; N292-C294 PolarHBondContact O-N 3.14Å; N292-C294 PolarHBondContact O-SG 3.47Å
295	L	93.4	Very high	85	Confident	0 Å²	0	16 Å²	16	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	158.5	164.5	70.4	74.7	0	0	0	111.2	F228 F243 A244 L245 L246 A282 A297 T308 E311 I312	F228-L295 WeakPolarHBondContact CE1-O 3.49Å; F243-L295 HydrophobicContact CD1-CD2 4.26Å; F243-L295 HydrophobicContact CE1-CB 4.13Å; F243-L295 HydrophobicContact CE1-CD2 3.45Å; F243-L295 VanDerWaalsContact CE1-CD2 3.45Å; F243-L295 HydrophobicContact CE1-CG 3.93Å; F243-L295 HydrophobicContact CZ-CB 4.12Å; F243-L295 HydrophobicContact CZ-CD2 4.24Å; F243-L295 HydrophobicContact CZ-CG 4.43Å; A244-L295 PolarHBondContact O-N 3.49Å; L245-L295 HydrophobicContact CB-CD1 3.8Å; L245-L295 HydrophobicContact CB-CG 4.15Å; L245-L295 HydrophobicContact CD2-CD1 4.07Å; L245-L295 HydrophobicContact CD2-CD2 3.77Å; L245-L295 HydrophobicContact CD2-CG 4.16Å; L245-L295 HydrophobicContact CG-CD1 4.05Å; L245-L295 HydrophobicContact CG-CD2 4.04Å; L245-L295 HydrophobicContact CG-CG 3.96Å; L246-L295 PolarHBondContact N-O 3.43Å; A282-L295 HydrophobicContact CB-CB 3.84Å; L295-A297 HydrophobicContact CD1-CB 4.14Å; L295-T308 HydrophobicContact CD2-CG2 4.44Å; L295-E311 HydrophobicContact CB-CB 4.23Å; L295-E311 HydrophobicContact CD2-CB 3.93Å; L295-I312 HydrophobicContact CD2-CG1 3.56Å
296	L	91.5	Very high	85.7	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.8	171.4	167.6	69.9	0	0	0	108.1	Y224 L225 L246 I269 G280 I281	Y224-L296 HydrophobicContact CD1-CD1 3.94Å; Y224-L296 HydrophobicContact CD1-CD2 3.75Å; Y224-L296 HydrophobicContact CE1-CD1 4.07Å; Y224-L296 HydrophobicContact CG-CD1 4.48Å; Y224-L296 HydrophobicContact CG-CD2 3.93Å; L225-L296 HydrophobicContact CD1-CB 4.23Å; L246-L296 HydrophobicContact CB-CD1 4.17Å; L246-L296 HydrophobicContact CD2-CD1 3.92Å; L246-L296 HydrophobicContact CG-CD1 3.92Å; L246-L296 WeakPolarHBondContact O-CA 3.15Å; I269-L296 HydrophobicContact CD1-CD1 4.07Å; I269-L296 HydrophobicContact CD1-CD2 3.94Å; I269-L296 HydrophobicContact CD1-CG 3.77Å; I269-L296 HydrophobicContact CG2-CD2 4.23Å; G280-L296 CarbonylContact C-O 3.6Å; G280-L296 VanDerWaalsContact CA-O 3.23Å; G280-L296 WeakPolarHBondContact CA-O 3.28Å; I281-L296 HydrophobicContact CG2-CB 3.75Å; I281-L296 HydrophobicContact CG2-CD2 3.86Å; I281-L296 HydrophobicContact CG2-CG 4.15Å; I281-L296 PolarHBondContact N-O 3.5Å; I281-L296 PolarHBondContact O-N 3.39Å
297	A	90.8	Very high	86.2	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.8	177.9	0	0	0	0	0	110.7	L246 F247 S248 L295 I307	L246-A297 PolarHBondContact O-N 3.12Å; F247-A297 WeakPolarHBondContact CA-O 3.27Å; F247-A297 HydrophobicContact CD1-CB 4.26Å; F247-A297 HydrophobicContact CE1-CB 4.18Å; S248-A297 PolarHBondContact N-O 3.13Å; L295-A297 HydrophobicContact CD1-CB 4.14Å; A297-I307 HydrophobicContact CB-CG2 3.99Å
298	E	84.9	Confident	86.6	Confident	14 Å²	14	14.2 Å²	14.2	7%	0.065	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	138.4	164.5	-170.6	-171.4	160	0	0	109.7	D268 S279 T300 S304	D268-E298 HydrophobicContact CB-CG 4.08Å; D268-E298 WeakPolarHBondContact CB-OE2 3.27Å; S279-E298 WeakPolarHBondContact O-CB 3.47Å; S279-E298 PolarHBondContact O-N 2.95Å; E298-T300 HydrophobicContact CG-CG2 3.94Å; E298-T300 PolarHBondContact OE1-OG1 3.19Å; E298-S304 WeakPolarHBondContact O-CB 3.36Å; E298-S304 PolarHBondContact O-OG 2.01Å
299	G	83.8	Confident	87.1	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.			trans	-118.9	23.6	-178.8	0	0	0	0	0	115	L154 F173 S248 S304	L154-G299 VanDerWaalsContact CD1-O 3.26Å; L154-G299 WeakPolarHBondContact CD1-O 3.32Å; L154-G299 WeakPolarHBondContact CD2-O 3.45Å; F173-G299 VanDerWaalsContact CE1-O 3.24Å; F173-G299 WeakPolarHBondContact CE1-O 3.29Å; S248-G299 PolarHBondContact O-N 3.07Å; G299-S304 VanDerWaalsContact CA-OG 3.31Å; G299-S304 WeakPolarHBondContact CA-OG 3.38Å
300	T	81.6	Confident	87.6	Confident	21 Å²	21	12.4 Å²	12.4	13%	0.129	7%	0.072	C	C	.	.	S	Bend	trans	-90	-19.6	-167.6	82.9	0	0	0	0	115.5	L154 K157 K251 E298	L154-T300 HydrophobicContact CD1-CG2 4.49Å; K157-T300 HydrophobicContact CD-CG2 4.37Å; K251-T300 PolarHBondContact NZ-OG1 3.45Å; E298-T300 HydrophobicContact CG-CG2 3.94Å; E298-T300 PolarHBondContact OE1-OG1 3.19Å
301	D	86.8	Confident	88.5	Confident	14 Å²	14	8.9 Å²	8.9	8%	0.075	5%	0.048	C	C	.	.	S	Bend	trans	-158.3	-179.6	178.9	63.1	58.5	0	0	0	111.8	F173 S303 S304 M393 V394	F173-D301 WeakPolarHBondContact CZ-O 3.21Å; D301-S303 PolarHBondContact O-N 2.77Å; D301-S303 VanDerWaalsContact O-N 3.12Å; D301-S303 WeakPolarHBondContact OD1-CA 3.31Å; D301-S303 WeakPolarHBondContact OD1-CB 3.48Å; D301-S303 PolarHBondContact OD1-N 3.16Å; D301-S303 PolarHBondContact OD1-OG 2.89Å; D301-S304 WeakPolarHBondContact O-CB 3.49Å; D301-S304 PolarHBondContact O-N 3.44Å; D301-S304 PolarHBondContact O-OG 2.98Å; D301-M393 HydrophobicContact CB-CB 4.32Å; D301-V394 HydrophobicContact CB-CB 4.24Å; D301-V394 HydrophobicContact CB-CG2 3.66Å
302	F	90	Very high	89.5	Confident	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-5.9	-175.2	-74.2	-57.9	0	0	0	115.6	F173 T176 V177 S304 V305 Y385 Q390 M393 H430 L433	F173-F302 HydrophobicContact CD2-CD1 4.19Å; F173-F302 AromaticContact CD2-CE1 3.68Å; F173-F302 HydrophobicContact CD2-CE1 3.68Å; F173-F302 HydrophobicContact CD2-CZ 4.02Å; F173-F302 AromaticContact CE2-CD1 3.73Å; F173-F302 HydrophobicContact CE2-CD1 3.73Å; F173-F302 AromaticContact CE2-CE1 3.72Å; F173-F302 HydrophobicContact CE2-CE1 3.72Å; F173-F302 HydrophobicContact CE2-CG 4.25Å; F173-F302 HydrophobicContact CE2-CZ 4.26Å; T176-F302 HydrophobicContact CG2-CE1 3.79Å; T176-F302 HydrophobicContact CG2-CZ 4.25Å; V177-F302 HydrophobicContact CG2-CD1 4.34Å; F302-S304 PolarHBondContact O-N 3.1Å; F302-V305 WeakPolarHBondContact O-CB 3.25Å; F302-V305 PolarHBondContact O-N 3.25Å; F302-V305 VanDerWaalsContact O-N 3.11Å; F302-Y385 HydrophobicContact CE1-CD2 4.33Å; F302-Y385 HydrophobicContact CE1-CE2 4.48Å; F302-Y385 AromaticContact CE2-CD1 3.9Å; F302-Y385 HydrophobicContact CE2-CD1 3.9Å; F302-Y385 HydrophobicContact CE2-CD2 4.2Å; F302-Y385 HydrophobicContact CE2-CE1 4.45Å; F302-Y385 AromaticContact CE2-CG 3.71Å; F302-Y385 HydrophobicContact CE2-CG 3.71Å; F302-Y385 AromaticContact CZ-CD1 3.8Å; F302-Y385 HydrophobicContact CZ-CD1 3.8Å; F302-Y385 AromaticContact CZ-CD2 3.5Å; F302-Y385 HydrophobicContact CZ-CD2 3.5Å; F302-Y385 VanDerWaalsContact CZ-CD2 3.5Å; F302-Y385 HydrophobicContact CZ-CE1 4.04Å; F302-Y385 AromaticContact CZ-CE2 3.77Å; F302-Y385 HydrophobicContact CZ-CE2 3.77Å; F302-Y385 AromaticContact CZ-CG 3.47Å; F302-Y385 HydrophobicContact CZ-CG 3.47Å; F302-Y385 VanDerWaalsContact CZ-CG 3.47Å; F302-Y385 AromaticContact CZ-CZ 3.99Å; F302-Q390 HydrophobicContact CD2-CB 4.38Å; F302-Q390 HydrophobicContact CD2-CG 3.81Å; F302-Q390 HydrophobicContact CE2-CG 4.13Å; F302-M393 HydrophobicContact CD2-CE 4.25Å; F302-M393 HydrophobicContact CD2-SD 3.79Å; F302-M393 HydrophobicContact CE2-CE 3.27Å; F302-M393 HydrophobicContact CE2-SD 3.35Å; F302-M393 WeakPolarHBondContact CE2-SD 3.42Å; F302-M393 HydrophobicContact CZ-CE 3.63Å; F302-M393 HydrophobicContact CZ-SD 3.84Å; F302-H430 WeakPolarHBondContact CB-NE2 3.34Å; F302-L433 HydrophobicContact CB-CD2 4.15Å; F302-L433 HydrophobicContact CD1-CD1 3.97Å; F302-L433 HydrophobicContact CD1-CD2 4.23Å; F302-L433 HydrophobicContact CD2-CD1 3.92Å; F302-L433 HydrophobicContact CE1-CD1 4.07Å; F302-L433 HydrophobicContact CE2-CD1 3.97Å; F302-L433 HydrophobicContact CG-CD1 3.91Å; F302-L433 HydrophobicContact CG-CD2 4.21Å; F302-L433 HydrophobicContact CG-CG 4.46Å; F302-L433 HydrophobicContact CZ-CD1 4.08Å
303	S	86.2	Confident	90.2	Very high	21 Å²	21	5.1 Å²	5.1	15%	0.147	3%	0.028	C	C	.	.	H	α-helix	trans	-58.5	-26.5	166.1	-46.3	0	0	0	0	111.1	D301 V305 Y306 I307 H430	D301-S303 PolarHBondContact O-N 2.77Å; D301-S303 VanDerWaalsContact O-N 3.12Å; D301-S303 WeakPolarHBondContact OD1-CA 3.31Å; D301-S303 WeakPolarHBondContact OD1-CB 3.48Å; D301-S303 PolarHBondContact OD1-N 3.16Å; D301-S303 PolarHBondContact OD1-OG 2.89Å; S303-V305 PolarHBondContact O-N 2.83Å; S303-V305 VanDerWaalsContact O-N 3.11Å; S303-Y306 PolarHBondContact O-N 2.7Å; S303-Y306 VanDerWaalsContact O-N 3.09Å; S303-I307 WeakPolarHBondContact O-CD1 3.47Å; S303-I307 WeakPolarHBondContact O-CG1 3.47Å; S303-I307 PolarHBondContact O-N 2.63Å; S303-I307 VanDerWaalsContact O-N 3.14Å; S303-H430 PolarHBondContact N-CD2 2.88Å
304	S	90	Very high	90.1	Very high	1 Å²	1	5 Å²	5	1%	0.007	3%	0.027	C	C	.	.	H	α-helix	trans	-52.5	-28.3	173.6	-62.5	0	0	0	0	113.7	E298 G299 D301 F302 T308	E298-S304 WeakPolarHBondContact O-CB 3.36Å; E298-S304 PolarHBondContact O-OG 2.01Å; G299-S304 VanDerWaalsContact CA-OG 3.31Å; G299-S304 WeakPolarHBondContact CA-OG 3.38Å; D301-S304 WeakPolarHBondContact O-CB 3.49Å; D301-S304 PolarHBondContact O-N 3.44Å; D301-S304 PolarHBondContact O-OG 2.98Å; F302-S304 PolarHBondContact O-N 3.1Å; S304-T308 WeakPolarHBondContact O-CB 3.13Å; S304-T308 PolarHBondContact O-N 2.91Å; S304-T308 PolarHBondContact O-OG1 2.87Å
305	V	93	Very high	90	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-60.1	-54.4	174.9	173.5	0	0	0	0	110.8	V177 H180 V181 L184 F302 S303 T308 T309 L433	V177-V305 HydrophobicContact CB-CG2 4.32Å; V177-V305 HydrophobicContact CG1-CG2 4.19Å; V177-V305 HydrophobicContact CG2-CG2 4.22Å; H180-V305 HydrophobicContact CB-CB 4.48Å; H180-V305 HydrophobicContact CB-CG1 3.71Å; H180-V305 HydrophobicContact CB-CG2 3.88Å; V181-V305 HydrophobicContact CG2-CG1 4.36Å; L184-V305 HydrophobicContact CD1-CG1 3.79Å; F302-V305 WeakPolarHBondContact O-CB 3.25Å; F302-V305 PolarHBondContact O-N 3.25Å; F302-V305 VanDerWaalsContact O-N 3.11Å; S303-V305 PolarHBondContact O-N 2.83Å; S303-V305 VanDerWaalsContact O-N 3.11Å; V305-T308 PolarHBondContact O-N 3.1Å; V305-T309 WeakPolarHBondContact O-CB 3.27Å; V305-T309 PolarHBondContact O-N 3.15Å; V305-T309 PolarHBondContact O-OG1 3.06Å; V305-L433 HydrophobicContact CG2-CD2 4.26Å
306	Y	91.5	Very high	90	Very high	15 Å²	15	5 Å²	5	6%	0.059	3%	0.027	C	C	.	.	H	α-helix	trans	-70.4	-38.4	-174.3	-60.2	-77.8	0	0	0	111	L184 S303 H310 V340 H430 P431	L184-Y306 HydrophobicContact CD1-CD1 4.05Å; L184-Y306 HydrophobicContact CD1-CE1 4.06Å; S303-Y306 PolarHBondContact O-N 2.7Å; S303-Y306 VanDerWaalsContact O-N 3.09Å; Y306-H310 VanDerWaalsContact O-CB 3.31Å; Y306-H310 WeakPolarHBondContact O-CB 3.23Å; Y306-H310 PolarHBondContact O-N 3.26Å; Y306-V340 HydrophobicContact CE1-CG1 4.18Å; Y306-H430 HydrophobicContact CD2-CB 3.75Å; Y306-H430 HydrophobicContact CE2-CB 3.62Å; Y306-H430 AromaticContact CE2-CG 3.85Å; Y306-H430 AromaticContact CE2-ND1 3.77Å; Y306-P431 HydrophobicContact CE1-CB 4.28Å; Y306-P431 HydrophobicContact CE1-CG 4.04Å; Y306-P431 HydrophobicContact CE2-CG 4.49Å; Y306-P431 WeakPolarHBondContact CE2-O 3.31Å; Y306-P431 WeakPolarHBondContact OH-CB 3.24Å; Y306-P431 PolarHBondContact OH-O 2.91Å
307	I	89.8	Confident	89.5	Confident	5 Å²	5	5 Å²	5	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-59.9	-54.5	173	-63.8	157.8	0	0	0	110.1	S279 A297 S303 T309 H310 E311 L335	S279-I307 VanDerWaalsContact CB-CD1 3.42Å; S279-I307 WeakPolarHBondContact O-CG2 3.4Å; A297-I307 HydrophobicContact CB-CG2 3.99Å; S303-I307 WeakPolarHBondContact O-CD1 3.47Å; S303-I307 WeakPolarHBondContact O-CG1 3.47Å; S303-I307 PolarHBondContact O-N 2.63Å; S303-I307 VanDerWaalsContact O-N 3.14Å; I307-T309 VanDerWaalsContact C-N 3.3Å; I307-T309 PolarHBondContact O-N 3.48Å; I307-H310 WeakPolarHBondContact O-CB 3.34Å; I307-H310 PolarHBondContact O-N 3.24Å; I307-H310 VanDerWaalsContact O-N 3.14Å; I307-E311 HydrophobicContact CG2-CG 4.25Å; I307-E311 WeakPolarHBondContact O-CG 3.05Å; I307-E311 PolarHBondContact O-N 2.82Å; I307-L335 HydrophobicContact CD1-CD1 4.08Å; I307-L335 HydrophobicContact CG1-CD1 3.63Å; I307-L335 HydrophobicContact CG1-CD2 4.18Å; I307-L335 HydrophobicContact CG1-CG 4.49Å
308	T	93.7	Very high	89.4	Confident	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-61.3	-41.3	-177.4	-57.5	0	0	0	0	111.3	V181 L245 F247 L295 S304 V305 H310 E311 I312	V181-T308 HydrophobicContact CG2-CG2 4.11Å; L245-T308 HydrophobicContact CD2-CG2 3.5Å; F247-T308 VanDerWaalsContact CE1-OG1 3.29Å; F247-T308 WeakPolarHBondContact CE1-OG1 3.48Å; F247-T308 HydrophobicContact CZ-CG2 4.13Å; F247-T308 WeakPolarHBondContact CZ-OG1 3.45Å; L295-T308 HydrophobicContact CD2-CG2 4.44Å; S304-T308 WeakPolarHBondContact O-CB 3.13Å; S304-T308 PolarHBondContact O-N 2.91Å; S304-T308 PolarHBondContact O-OG1 2.87Å; V305-T308 PolarHBondContact O-N 3.1Å; T308-H310 VanDerWaalsContact C-N 3.32Å; T308-H310 PolarHBondContact O-N 2.65Å; T308-E311 PolarHBondContact O-N 3.13Å; T308-I312 HydrophobicContact CG2-CD1 3.87Å; T308-I312 HydrophobicContact CG2-CG1 4.38Å; T308-I312 VanDerWaalsContact O-CG1 3.25Å; T308-I312 WeakPolarHBondContact O-CG1 3.26Å; T308-I312 PolarHBondContact O-N 3.34Å
309	T	95.5	Very high	89.1	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-59	-45.1	177	-56.3	0	0	0	0	111.2	L184 Y185 V305 I307 G313 I330 W342	L184-T309 HydrophobicContact CB-CG2 3.91Å; L184-T309 HydrophobicContact CD1-CG2 4.03Å; L184-T309 WeakPolarHBondContact CD1-OG1 3.39Å; Y185-T309 HydrophobicContact CD2-CG2 4.02Å; Y185-T309 HydrophobicContact CE2-CG2 3.6Å; Y185-T309 PolarHBondContact OH-O 2.91Å; V305-T309 WeakPolarHBondContact O-CB 3.27Å; V305-T309 PolarHBondContact O-N 3.15Å; V305-T309 PolarHBondContact O-OG1 3.06Å; I307-T309 VanDerWaalsContact C-N 3.3Å; I307-T309 PolarHBondContact O-N 3.48Å; T309-G313 PolarHBondContact O-N 2.83Å; T309-G313 VanDerWaalsContact O-N 3.13Å; T309-I330 HydrophobicContact CG2-CD1 4.31Å; T309-I330 HydrophobicContact CG2-CG2 3.83Å; T309-W342 HydrophobicContact CG2-CH2 3.9Å; T309-W342 HydrophobicContact CG2-CZ2 3.65Å
310	H	92.5	Very high	88.8	Confident	8 Å²	8	9.6 Å²	9.6	4%	0.037	5%	0.051	C	C	.	.	H	α-helix	trans	-63.7	-47.1	177.4	-178.1	105.5	0	0	0	112.5	Y306 I307 T308 I312 G313 H314 H320 I330 S332	Y306-H310 VanDerWaalsContact O-CB 3.31Å; Y306-H310 WeakPolarHBondContact O-CB 3.23Å; Y306-H310 PolarHBondContact O-N 3.26Å; I307-H310 WeakPolarHBondContact O-CB 3.34Å; I307-H310 PolarHBondContact O-N 3.24Å; I307-H310 VanDerWaalsContact O-N 3.14Å; T308-H310 VanDerWaalsContact C-N 3.32Å; T308-H310 PolarHBondContact O-N 2.65Å; H310-I312 PolarHBondContact O-N 2.95Å; H310-G313 VanDerWaalsContact O-CA 3.29Å; H310-G313 WeakPolarHBondContact O-CA 3.39Å; H310-G313 PolarHBondContact O-N 2.9Å; H310-H314 AromaticContact CD2-CD2 3.61Å; H310-H314 AromaticContact CD2-NE2 3.4Å; H310-H314 PolarHBondContact CD2-NE2 3.16Å; H310-H314 AromaticContact CE1-NE2 3.97Å; H310-H314 AromaticContact NE2-CD2 3.68Å; H310-H314 AromaticContact NE2-CE1 3.94Å; H310-H314 AromaticContact NE2-NE2 2.95Å; H310-H314 PolarHBondContact NE2-NE2 2.84Å; H310-H314 PolarHBondContact O-N 3.42Å; H310-H314 VanDerWaalsContact O-N 3.11Å; H310-H320 AromaticContact CE1-CD2 3.42Å; H310-H320 PolarHBondContact CE1-CD2 2.84Å; H310-H320 VanDerWaalsContact CE1-CD2 3.42Å; H310-H320 AromaticContact CE1-NE2 3.56Å; H310-H320 AromaticContact NE2-CD2 3.46Å; H310-H320 PolarHBondContact NE2-CD2 2.88Å; H310-H320 AromaticContact NE2-NE2 3.11Å; H310-H320 PolarHBondContact NE2-NE2 2.81Å; H310-H320 VanDerWaalsContact NE2-NE2 3.11Å; H310-I330 PolarHBondContact ND1-O 3.05Å; H310-S332 PolarHBondContact CE1-O 3.3Å
311	E	93.8	Very high	88.6	Confident	4 Å²	4	8.6 Å²	8.6	2%	0.019	5%	0.045	C	C	.	.	H	α-helix	trans	-68	-34.7	-179.2	-63.8	-44.7	144.1	0	0	112.9	G280 I281 A282 L295 I307 T308 G313 H314 G315	G280-E311 VanDerWaalsContact C-CD 3.4Å; G280-E311 VanDerWaalsContact C-OE1 3.23Å; I281-E311 WeakPolarHBondContact CA-OE2 3.48Å; A282-E311 HydrophobicContact CB-CB 3.9Å; A282-E311 VanDerWaalsContact CB-O 3.28Å; A282-E311 WeakPolarHBondContact CB-O 3.14Å; A282-E311 WeakPolarHBondContact CB-OE2 3.02Å; A282-E311 PolarHBondContact N-OE2 3.04Å; L295-E311 HydrophobicContact CB-CB 4.23Å; L295-E311 HydrophobicContact CD2-CB 3.93Å; I307-E311 HydrophobicContact CG2-CG 4.25Å; I307-E311 WeakPolarHBondContact O-CG 3.05Å; I307-E311 PolarHBondContact O-N 2.82Å; T308-E311 PolarHBondContact O-N 3.13Å; E311-G313 PolarHBondContact O-N 2.78Å; E311-H314 PolarHBondContact O-N 2.75Å; E311-H314 IonicContact OE2-CD2 2.86Å; E311-G315 PolarHBondContact O-N 2.99Å
312	I	95.4	Very high	87.9	Confident	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-62.7	-36	168.5	-64.5	165.6	0	0	0	109.9	M144 V181 Y185 F196 F243 L245 L295 T308 H310 H314 G315 L316	M144-I312 HydrophobicContact CE-CG2 4.05Å; M144-I312 HydrophobicContact SD-CG2 4.26Å; V181-I312 HydrophobicContact CG1-CD1 3.82Å; Y185-I312 HydrophobicContact CE1-CG2 4.43Å; Y185-I312 HydrophobicContact CE2-CB 4.21Å; Y185-I312 HydrophobicContact CE2-CD1 4.46Å; Y185-I312 HydrophobicContact CE2-CG2 4.1Å; Y185-I312 VanDerWaalsContact OH-CB 3.3Å; Y185-I312 WeakPolarHBondContact OH-CB 3.43Å; Y185-I312 WeakPolarHBondContact OH-CG2 3.3Å; F196-I312 HydrophobicContact CE1-CD1 3.84Å; F196-I312 HydrophobicContact CE1-CG2 4.2Å; F196-I312 HydrophobicContact CZ-CD1 4.01Å; F196-I312 HydrophobicContact CZ-CG2 4.26Å; F243-I312 HydrophobicContact CD1-CG1 4.35Å; F243-I312 HydrophobicContact CE1-CG1 4.05Å; L245-I312 HydrophobicContact CD2-CD1 4.17Å; L245-I312 HydrophobicContact CD2-CG1 4.44Å; L295-I312 HydrophobicContact CD2-CG1 3.56Å; T308-I312 HydrophobicContact CG2-CD1 3.87Å; T308-I312 HydrophobicContact CG2-CG1 4.38Å; T308-I312 VanDerWaalsContact O-CG1 3.25Å; T308-I312 WeakPolarHBondContact O-CG1 3.26Å; T308-I312 PolarHBondContact O-N 3.34Å; H310-I312 PolarHBondContact O-N 2.95Å; I312-H314 VanDerWaalsContact C-N 3.34Å; I312-H314 PolarHBondContact O-N 2.81Å; I312-G315 CarbonylContact O-C 3.5Å; I312-G315 WeakPolarHBondContact O-CA 3.33Å; I312-G315 PolarHBondContact O-N 2.88Å; I312-L316 HydrophobicContact CG2-CD1 3.93Å; I312-L316 HydrophobicContact CG2-CG 4.26Å; I312-L316 WeakPolarHBondContact O-CG 3.26Å; I312-L316 PolarHBondContact O-N 3.17Å
313	G	93.8	Very high	85.9	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-58.1	-45.7	175.7	0	0	0	0	0	111.7	Y185 T309 H310 E311 G315 L316 G317 M318	Y185-G313 WeakPolarHBondContact OH-CA 3.28Å; Y185-G313 PolarHBondContact OH-N 3.36Å; T309-G313 PolarHBondContact O-N 2.83Å; T309-G313 VanDerWaalsContact O-N 3.13Å; H310-G313 VanDerWaalsContact O-CA 3.29Å; H310-G313 WeakPolarHBondContact O-CA 3.39Å; H310-G313 PolarHBondContact O-N 2.9Å; E311-G313 PolarHBondContact O-N 2.78Å; G313-G315 PolarHBondContact O-N 3.2Å; G313-L316 CarbonylContact O-C 3.55Å; G313-L316 WeakPolarHBondContact O-CA 3.43Å; G313-L316 PolarHBondContact O-N 3.48Å; G313-L316 VanDerWaalsContact O-N 3.12Å; G313-G317 PolarHBondContact O-N 2.92Å; G313-M318 VanDerWaalsContact O-CB 3.25Å; G313-M318 WeakPolarHBondContact O-CB 3.5Å; G313-M318 WeakPolarHBondContact O-CG 3.33Å; G313-M318 PolarHBondContact O-N 3.39Å
314	H	84.3	Confident	85	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.118	C	C	.	.	H	α-helix	trans	-59	-46	170.3	-72.8	-51.4	0	0	0	111.7	V106 A282 L284 Y285 H310 E311 I312 L316 G317 M318 H320 M331	V106-H314 WeakPolarHBondContact CG2-CE1 3.1Å; V106-H314 WeakPolarHBondContact CG2-ND1 3.04Å; A282-H314 HydrophobicContact CB-CB 4.14Å; L284-H314 CarbonylContact C-O 3.56Å; L284-H314 VanDerWaalsContact CA-O 3.27Å; L284-H314 WeakPolarHBondContact CA-O 3.12Å; Y285-H314 PolarHBondContact N-O 3.48Å; H310-H314 AromaticContact CD2-CD2 3.61Å; H310-H314 AromaticContact CD2-NE2 3.4Å; H310-H314 PolarHBondContact CD2-NE2 3.16Å; H310-H314 AromaticContact CE1-NE2 3.97Å; H310-H314 AromaticContact NE2-CD2 3.68Å; H310-H314 AromaticContact NE2-CE1 3.94Å; H310-H314 AromaticContact NE2-NE2 2.95Å; H310-H314 PolarHBondContact NE2-NE2 2.84Å; H310-H314 PolarHBondContact O-N 3.42Å; H310-H314 VanDerWaalsContact O-N 3.11Å; E311-H314 PolarHBondContact O-N 2.75Å; E311-H314 IonicContact OE2-CD2 2.86Å; I312-H314 VanDerWaalsContact C-N 3.34Å; I312-H314 PolarHBondContact O-N 2.81Å; H314-L316 PolarHBondContact O-N 3.02Å; H314-G317 WeakPolarHBondContact O-CA 3.47Å; H314-G317 PolarHBondContact O-N 2.94Å; H314-M318 PolarHBondContact ND1-O 3.1Å; H314-M318 VanDerWaalsContact ND1-O 3.08Å; H314-H320 AromaticContact CE1-CD2 3.44Å; H314-H320 PolarHBondContact CE1-CD2 3.41Å; H314-H320 VanDerWaalsContact CE1-CD2 3.44Å; H314-H320 AromaticContact CE1-CE1 3.44Å; H314-H320 PolarHBondContact CE1-CE1 2.75Å; H314-H320 VanDerWaalsContact CE1-CE1 3.44Å; H314-H320 AromaticContact CE1-CG 3.98Å; H314-H320 AromaticContact CE1-ND1 3.96Å; H314-H320 AromaticContact CE1-NE2 3.12Å; H314-H320 PolarHBondContact CE1-NE2 3.2Å; H314-H320 AromaticContact NE2-CD2 3.58Å; H314-H320 AromaticContact NE2-CE1 3.56Å; H314-H320 AromaticContact NE2-NE2 2.95Å; H314-H320 PolarHBondContact NE2-NE2 2.02Å; H314-M331 VanDerWaalsContact CE1-CE 3.46Å; H314-M331 WeakPolarHBondContact CE1-CE 3.32Å
315	G	88.4	Confident	84.2	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-53.3	-36.9	173.8	0	0	0	0	0	113.3	R283 Y285 G286 V287 E311 I312 G313 G317	R283-G315 WeakPolarHBondContact O-CA 2.94Å; Y285-G315 CarbonylContact C-O 3.58Å; Y285-G315 VanDerWaalsContact C-O 3.26Å; Y285-G315 WeakPolarHBondContact CA-O 3.49Å; G286-G315 PolarHBondContact N-O 3.43Å; G286-G315 VanDerWaalsContact N-O 3.07Å; V287-G315 WeakPolarHBondContact CB-O 3.49Å; V287-G315 VanDerWaalsContact CG2-C 3.47Å; V287-G315 WeakPolarHBondContact CG2-O 3.27Å; V287-G315 PolarHBondContact N-O 2.74Å; E311-G315 PolarHBondContact O-N 2.99Å; I312-G315 CarbonylContact O-C 3.5Å; I312-G315 WeakPolarHBondContact O-CA 3.33Å; I312-G315 PolarHBondContact O-N 2.88Å; G313-G315 PolarHBondContact O-N 3.2Å; G315-G317 VanDerWaalsContact C-N 3.26Å; G315-G317 PolarHBondContact O-N 3.3Å
316	L	92.3	Very high	83.2	Confident	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	9.4	176.7	-68.7	173.3	0	0	0	114.1	M144 Y185 L194 V287 I312 G313 H314 M318 F350 Y353 L365	M144-L316 HydrophobicContact CE-CD1 4.35Å; M144-L316 HydrophobicContact CE-CD2 3.71Å; M144-L316 HydrophobicContact CE-CG 4.14Å; Y185-L316 HydrophobicContact CE1-CD1 3.6Å; L194-L316 HydrophobicContact CD2-CD1 3.74Å; V287-L316 HydrophobicContact CB-CD2 4.11Å; V287-L316 HydrophobicContact CG1-CD2 3.97Å; V287-L316 HydrophobicContact CG2-CD2 3.97Å; V287-L316 HydrophobicContact CG2-CG 4.23Å; I312-L316 HydrophobicContact CG2-CD1 3.93Å; I312-L316 HydrophobicContact CG2-CG 4.26Å; I312-L316 WeakPolarHBondContact O-CG 3.26Å; I312-L316 PolarHBondContact O-N 3.17Å; G313-L316 CarbonylContact O-C 3.55Å; G313-L316 WeakPolarHBondContact O-CA 3.43Å; G313-L316 PolarHBondContact O-N 3.48Å; G313-L316 VanDerWaalsContact O-N 3.12Å; H314-L316 PolarHBondContact O-N 3.02Å; L316-M318 HydrophobicContact CB-CE 4.15Å; L316-M318 HydrophobicContact CD1-CE 4.06Å; L316-F350 HydrophobicContact CB-CD2 3.96Å; L316-F350 HydrophobicContact CB-CE2 4.35Å; L316-F350 HydrophobicContact CD1-CD2 4.22Å; L316-F350 HydrophobicContact CD1-CE2 3.96Å; L316-F350 HydrophobicContact CD2-CD2 4.35Å; L316-F350 HydrophobicContact CD2-CE2 3.93Å; L316-F350 HydrophobicContact CG-CD2 4.41Å; L316-F350 HydrophobicContact CG-CE2 4.31Å; L316-Y353 VanDerWaalsContact C-CD1 3.44Å; L316-Y353 VanDerWaalsContact O-CB 3.27Å; L316-Y353 WeakPolarHBondContact O-CB 3.44Å; L316-Y353 WeakPolarHBondContact O-CD1 3.19Å; L316-L365 HydrophobicContact CD2-CD1 4.02Å
317	G	82.1	Confident	82.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	13.3	175.6	0	0	0	0	0	115.1	G313 H314 G315 S349	G313-G317 PolarHBondContact O-N 2.92Å; H314-G317 WeakPolarHBondContact O-CA 3.47Å; H314-G317 PolarHBondContact O-N 2.94Å; G315-G317 VanDerWaalsContact C-N 3.26Å; G315-G317 PolarHBondContact O-N 3.3Å; G317-S349 WeakPolarHBondContact O-CB 2.96Å
318	M	88.2	Confident	81.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-77.8	127.2	174.6	-52.9	-175.3	-153.6	0	0	109.6	Y185 I190 L284 G313 H314 L316 M331 W342 F350	Y185-M318 HydrophobicContact CE1-CE 4.31Å; I190-M318 HydrophobicContact CD1-CE 3.31Å; I190-M318 HydrophobicContact CD1-SD 4.37Å; L284-M318 WeakPolarHBondContact CD1-O 3.27Å; G313-M318 VanDerWaalsContact O-CB 3.25Å; G313-M318 WeakPolarHBondContact O-CB 3.5Å; G313-M318 WeakPolarHBondContact O-CG 3.33Å; G313-M318 PolarHBondContact O-N 3.39Å; H314-M318 PolarHBondContact ND1-O 3.1Å; H314-M318 VanDerWaalsContact ND1-O 3.08Å; L316-M318 HydrophobicContact CB-CE 4.15Å; L316-M318 HydrophobicContact CD1-CE 4.06Å; M318-M331 HydrophobicContact CB-CE 3.96Å; M318-M331 HydrophobicContact CB-CG 4.07Å; M318-M331 HydrophobicContact CB-SD 4.2Å; M318-M331 WeakPolarHBondContact O-CE 3.26Å; M318-M331 HydrophobicContact SD-CG 4.19Å; M318-M331 HydrophobicContact SD-SD 4.47Å; M318-W342 HydrophobicContact CE-CE3 4.17Å; M318-W342 HydrophobicContact CE-CH2 4.17Å; M318-W342 HydrophobicContact CE-CZ3 3.81Å; M318-W342 HydrophobicContact SD-CE3 3.52Å; M318-W342 VanDerWaalsContact SD-CE3 3.52Å; M318-W342 HydrophobicContact SD-CH2 4.14Å; M318-W342 HydrophobicContact SD-CZ3 3.24Å; M318-W342 WeakPolarHBondContact SD-CZ3 3.5Å; M318-F350 HydrophobicContact CE-CB 3.64Å; M318-F350 HydrophobicContact CE-CD1 4.4Å; M318-F350 HydrophobicContact CE-CD2 4.04Å; M318-F350 HydrophobicContact CE-CG 3.78Å; M318-F350 HydrophobicContact CG-CB 4.06Å; M318-F350 HydrophobicContact SD-CB 4.34Å
319	L	77.8	Confident	81.6	Confident	85 Å²	85	38.1 Å²	38.1	45%	0.445	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-83.6	165.9	169.4	-66.5	171.6	0	0	0	109.7	L284	L284-L319 HydrophobicContact CD1-CD2 3.94Å; L284-L319 HydrophobicContact CD2-CD2 3.53Å; L284-L319 HydrophobicContact CG-CD2 4.42Å
320	H	77.8	Confident	81.4	Confident	27 Å²	27	38.6 Å²	38.6	13%	0.125	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-59	147.6	170	-60.9	127.5	0	0	0	112.2	F103 C104 H310 H314 M331	F103-H320 HydrophobicContact CD1-CB 4.05Å; F103-H320 AromaticContact CD1-CD2 3.67Å; F103-H320 AromaticContact CD1-CE1 3.05Å; F103-H320 WeakPolarHBondContact CD1-CE1 3.37Å; F103-H320 AromaticContact CD1-CG 3.34Å; F103-H320 AromaticContact CD1-ND1 2.94Å; F103-H320 WeakPolarHBondContact CD1-ND1 3.18Å; F103-H320 AromaticContact CD1-NE2 3.45Å; F103-H320 WeakPolarHBondContact CD1-NE2 3.45Å; F103-H320 HydrophobicContact CE1-CB 3.29Å; F103-H320 AromaticContact CE1-CD2 3.31Å; F103-H320 WeakPolarHBondContact CE1-CD2 3.16Å; F103-H320 AromaticContact CE1-CE1 3.56Å; F103-H320 AromaticContact CE1-CG 2.97Å; F103-H320 AromaticContact CE1-ND1 3.16Å; F103-H320 WeakPolarHBondContact CE1-ND1 3.39Å; F103-H320 AromaticContact CE1-NE2 3.61Å; F103-H320 AromaticContact CG-CE1 3.96Å; F103-H320 AromaticContact CG-ND1 3.67Å; F103-H320 HydrophobicContact CZ-CB 3.78Å; F103-H320 AromaticContact CZ-CG 3.96Å; C104-H320 PolarHBondContact O-CE1 2.02Å; H310-H320 AromaticContact CE1-CD2 3.42Å; H310-H320 PolarHBondContact CE1-CD2 2.84Å; H310-H320 VanDerWaalsContact CE1-CD2 3.42Å; H310-H320 AromaticContact CE1-NE2 3.56Å; H310-H320 AromaticContact NE2-CD2 3.46Å; H310-H320 PolarHBondContact NE2-CD2 2.88Å; H310-H320 AromaticContact NE2-NE2 3.11Å; H310-H320 PolarHBondContact NE2-NE2 2.81Å; H310-H320 VanDerWaalsContact NE2-NE2 3.11Å; H314-H320 AromaticContact CE1-CD2 3.44Å; H314-H320 PolarHBondContact CE1-CD2 3.41Å; H314-H320 VanDerWaalsContact CE1-CD2 3.44Å; H314-H320 AromaticContact CE1-CE1 3.44Å; H314-H320 PolarHBondContact CE1-CE1 2.75Å; H314-H320 VanDerWaalsContact CE1-CE1 3.44Å; H314-H320 AromaticContact CE1-CG 3.98Å; H314-H320 AromaticContact CE1-ND1 3.96Å; H314-H320 AromaticContact CE1-NE2 3.12Å; H314-H320 PolarHBondContact CE1-NE2 3.2Å; H314-H320 AromaticContact NE2-CD2 3.58Å; H314-H320 AromaticContact NE2-CE1 3.56Å; H314-H320 AromaticContact NE2-NE2 2.95Å; H314-H320 PolarHBondContact NE2-NE2 2.02Å; H320-M331 CarbonylContact C-O 3.56Å; H320-M331 WeakPolarHBondContact CA-O 3.27Å; H320-M331 PolarHBondContact CD2-O 3.24Å
321	D	78	Confident	81.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.			trans	-67.9	-45	-176.8	-69.9	-44.4	0	0	0	111.4	Y324 C325 Y329 M331 S332 S343 S346	D321-Y324 PolarHBondContact O-N 2.83Å; D321-C325 CarbonylContact C-O 3.56Å; D321-C325 HydrophobicContact CB-CB 3.73Å; D321-C325 WeakPolarHBondContact O-CA 3.31Å; D321-C325 PolarHBondContact O-N 2.89Å; D321-Y329 VanDerWaalsContact OD2-CB 3.26Å; D321-Y329 WeakPolarHBondContact OD2-CB 3.49Å; D321-M331 PolarHBondContact N-O 3.08Å; D321-M331 VanDerWaalsContact OD2-C 3.23Å; D321-M331 WeakPolarHBondContact OD2-CA 3.25Å; D321-M331 WeakPolarHBondContact OD2-CB 3.42Å; D321-M331 PolarHBondContact OD2-N 2.88Å; D321-S332 PolarHBondContact OD2-N 3.18Å; D321-S343 WeakPolarHBondContact OD1-CB 3.43Å; D321-S343 PolarHBondContact OD1-OG 3.44Å; D321-S346 PolarHBondContact OD1-OG 2.85Å
322	E	71.8	Confident	80.6	Confident	48 Å²	48	38.1 Å²	38.1	22%	0.224	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	143.4	178.8	-55.9	92.8	150.9	0	0	112	F103 S327 S332 G333	F103-E322 HydrophobicContact CZ-CB 4.41Å; F103-E322 WeakPolarHBondContact CZ-OE2 3.48Å; E322-S327 WeakPolarHBondContact OE1-CA 3.24Å; E322-S327 WeakPolarHBondContact OE1-CB 3.3Å; E322-S332 WeakPolarHBondContact OE1-CB 2.9Å; E322-S332 PolarHBondContact OE1-OG 3.43Å; E322-S332 VanDerWaalsContact OE2-CA 3.27Å; E322-S332 WeakPolarHBondContact OE2-CA 2.91Å; E322-G333 PolarHBondContact OE2-N 3.46Å
323	P	48.5	Very low	79.3	Confident	113 Å²	113	39.2 Å²	39.2	73%	0.734	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	cis	-88.7	-3.5	2.7	35.2	-36.3	0	0	0	114.6
324	Y	67	Low	78	Confident	201 Å²	201	42.2 Å²	42.2	79%	0.788	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-34	-168.2	-56.9	-74.5	0	0	0	114	D321	D321-Y324 PolarHBondContact O-N 2.83Å
325	C	72.6	Confident	77.3	Confident	25 Å²	25	46.4 Å²	46.4	17%	0.169	26%	0.255	C	S	.	.	S	Bend	trans	-115.7	156.8	175	-86.7	0	0	0	0	110	D321 S343 C345	D321-C325 CarbonylContact C-O 3.56Å; D321-C325 HydrophobicContact CB-CB 3.73Å; D321-C325 WeakPolarHBondContact O-CA 3.31Å; D321-C325 PolarHBondContact O-N 2.89Å; C325-S343 PolarHBondContact SG-OG 2.92Å; C325-S343 VanDerWaalsContact SG-OG 3.4Å; C325-C345 HydrophobicContact CB-CB 3.85Å; C325-C345 WeakPolarHBondContact CB-SG 3.3Å; C325-C345 WeakPolarHBondContact SG-CB 3.28Å; C325-C345 PolarHBondContact SG-N 2.81Å; C325-C345 VanDerWaalsContact SG-N 3.43Å; C325-C345 CovalentContact SG-SG 2.04Å; C325-C345 PolarHBondContact SG-SG 3.03Å
326	A	72.6	Confident	76.1	Confident	55 Å²	55	47.3 Å²	47.3	46%	0.455	26%	0.264	S	S	.	.			trans	-63.9	151.8	-179.5	0	0	0	0	0	111.7	N328 Y329	A326-N328 PolarHBondContact O-N 2.99Å; A326-Y329 HydrophobicContact CB-CE2 4.11Å; A326-Y329 VanDerWaalsContact O-CD2 3.27Å; A326-Y329 WeakPolarHBondContact O-CD2 3.48Å
327	S	73.3	Confident	75	Confident	49 Å²	49	48.9 Å²	48.9	34%	0.343	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	11	-177.9	59.4	0	0	0	0	116	E322 S332 K339	E322-S327 WeakPolarHBondContact OE1-CA 3.24Å; E322-S327 WeakPolarHBondContact OE1-CB 3.3Å; S327-S332 VanDerWaalsContact O-CB 3.22Å; S327-S332 WeakPolarHBondContact O-CB 3.3Å; S327-S332 PolarHBondContact O-OG 2.84Å; S327-S332 VanDerWaalsContact O-OG 3.05Å; S327-K339 WeakPolarHBondContact O-CE 3.21Å; S327-K339 PolarHBondContact O-NZ 2.97Å
328	N	79.2	Confident	74.5	Confident	99 Å²	99	49.6 Å²	49.6	53%	0.529	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	11.4	-167	-59.5	-12.8	0	0	0	113.1	A326	A326-N328 PolarHBondContact O-N 2.99Å
329	Y	89.5	Confident	74.3	Confident	85 Å²	85	50.5 Å²	50.5	33%	0.333	29%	0.289	S	S	.	.	S	Bend	trans	-115.7	170	-177.3	-58.3	-78.2	0	0	0	110.9	D321 A326 M331 S332 H341 W342	D321-Y329 VanDerWaalsContact OD2-CB 3.26Å; D321-Y329 WeakPolarHBondContact OD2-CB 3.49Å; A326-Y329 HydrophobicContact CB-CE2 4.11Å; A326-Y329 VanDerWaalsContact O-CD2 3.27Å; A326-Y329 WeakPolarHBondContact O-CD2 3.48Å; Y329-M331 VanDerWaalsContact C-N 3.29Å; Y329-M331 PolarHBondContact O-N 3.35Å; Y329-S332 VanDerWaalsContact O-CB 3.27Å; Y329-S332 WeakPolarHBondContact O-CB 3.23Å; Y329-S332 PolarHBondContact O-N 3.33Å; Y329-S332 VanDerWaalsContact O-N 3.08Å; Y329-H341 CarbonylContact C-O 3.58Å; Y329-H341 VanDerWaalsContact CA-O 3.28Å; Y329-H341 WeakPolarHBondContact CA-O 3.47Å; Y329-H341 VanDerWaalsContact CB-O 3.27Å; Y329-H341 WeakPolarHBondContact CB-O 3.29Å; Y329-H341 HydrophobicContact CD1-CB 4.22Å; Y329-H341 WeakPolarHBondContact CD1-O 3.39Å; Y329-W342 WeakPolarHBondContact CD1-O 3.34Å
330	I	91.6	Very high	74.9	Confident	11 Å²	11	46.8 Å²	46.8	6%	0.056	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-39.3	-175.4	-69.7	164	0	0	0	112.6	L184 T309 H310 S332 K339 H341 W342	L184-I330 HydrophobicContact CB-CD1 4.41Å; T309-I330 HydrophobicContact CG2-CD1 4.31Å; T309-I330 HydrophobicContact CG2-CG2 3.83Å; H310-I330 PolarHBondContact ND1-O 3.05Å; I330-S332 PolarHBondContact O-N 2.98Å; I330-K339 WeakPolarHBondContact CG1-O 3.38Å; I330-H341 PolarHBondContact N-O 3.42Å; I330-W342 HydrophobicContact CB-CD2 4.45Å; I330-W342 HydrophobicContact CB-CE3 4.27Å; I330-W342 HydrophobicContact CB-CZ3 4.35Å; I330-W342 HydrophobicContact CD1-CD2 3.99Å; I330-W342 HydrophobicContact CD1-CG 4.22Å; I330-W342 HydrophobicContact CD1-CZ2 4.05Å; I330-W342 HydrophobicContact CG2-CE3 4.33Å; I330-W342 HydrophobicContact CG2-CH2 3.87Å; I330-W342 HydrophobicContact CG2-CZ2 4.27Å; I330-W342 HydrophobicContact CG2-CZ3 3.9Å
331	M	86.8	Confident	75.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	16.1	-179.4	-64.9	-55.2	-59.7	0	0	113.4	H314 M318 H320 D321 Y329 W342	H314-M331 VanDerWaalsContact CE1-CE 3.46Å; H314-M331 WeakPolarHBondContact CE1-CE 3.32Å; M318-M331 HydrophobicContact CB-CE 3.96Å; M318-M331 HydrophobicContact CB-CG 4.07Å; M318-M331 HydrophobicContact CB-SD 4.2Å; M318-M331 WeakPolarHBondContact O-CE 3.26Å; M318-M331 HydrophobicContact SD-CG 4.19Å; M318-M331 HydrophobicContact SD-SD 4.47Å; H320-M331 CarbonylContact C-O 3.56Å; H320-M331 WeakPolarHBondContact CA-O 3.27Å; H320-M331 PolarHBondContact CD2-O 3.24Å; D321-M331 PolarHBondContact N-O 3.08Å; D321-M331 VanDerWaalsContact OD2-C 3.23Å; D321-M331 WeakPolarHBondContact OD2-CA 3.25Å; D321-M331 WeakPolarHBondContact OD2-CB 3.42Å; D321-M331 PolarHBondContact OD2-N 2.88Å; Y329-M331 VanDerWaalsContact C-N 3.29Å; Y329-M331 PolarHBondContact O-N 3.35Å; M331-W342 HydrophobicContact CG-CE3 4.01Å; M331-W342 HydrophobicContact CG-CZ3 3.72Å; M331-W342 HydrophobicContact SD-CZ3 3.79Å
332	S	81.3	Confident	76.4	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.007	28%	0.279	C	S	.	.	S	Bend	trans	-67.8	148.3	170.3	173.2	0	0	0	0	111.8	H310 D321 E322 S327 Y329 I330 S334 K339	H310-S332 PolarHBondContact CE1-O 3.3Å; D321-S332 PolarHBondContact OD2-N 3.18Å; E322-S332 WeakPolarHBondContact OE1-CB 2.9Å; E322-S332 PolarHBondContact OE1-OG 3.43Å; E322-S332 VanDerWaalsContact OE2-CA 3.27Å; E322-S332 WeakPolarHBondContact OE2-CA 2.91Å; S327-S332 VanDerWaalsContact O-CB 3.22Å; S327-S332 WeakPolarHBondContact O-CB 3.3Å; S327-S332 PolarHBondContact O-OG 2.84Å; S327-S332 VanDerWaalsContact O-OG 3.05Å; Y329-S332 VanDerWaalsContact O-CB 3.27Å; Y329-S332 WeakPolarHBondContact O-CB 3.23Å; Y329-S332 PolarHBondContact O-N 3.33Å; Y329-S332 VanDerWaalsContact O-N 3.08Å; I330-S332 PolarHBondContact O-N 2.98Å; S332-S334 PolarHBondContact O-N 2.93Å; S332-S334 PolarHBondContact OG-OG 2.95Å; S332-K339 VanDerWaalsContact CB-NZ 3.32Å; S332-K339 PolarHBondContact OG-NZ 2.93Å
333	G	68.5	Low	77.4	Confident	24 Å²	24	46.6 Å²	46.6	25%	0.247	27%	0.268	C	S	.	.	S	Bend	trans	-69.6	1.5	178	0	0	0	0	0	119.5	F103 E322	F103-G333 VanDerWaalsContact CD1-CA 3.5Å; F103-G333 VanDerWaalsContact CZ-N 3.28Å; E322-G333 PolarHBondContact OE2-N 3.46Å
334	S	67.1	Low	79.4	Confident	63 Å²	63	50 Å²	50	44%	0.441	27%	0.272	S	S	.	.	S	Bend	trans	-130.8	144.7	176.9	48.8	0	0	0	0	107.1	S332 K339	S332-S334 PolarHBondContact O-N 2.93Å; S332-S334 PolarHBondContact OG-OG 2.95Å; S334-K339 WeakPolarHBondContact O-CD 3.14Å; S334-K339 WeakPolarHBondContact O-CE 3.48Å; S334-K339 PolarHBondContact O-NZ 3.29Å; S334-K339 PolarHBondContact OG-NZ 2.89Å
335	L	69	Low	80.5	Confident	88 Å²	88	42.1 Å²	42.1	46%	0.461	25%	0.246	S	C	.	.			trans	-71.2	147.5	160	-61.5	170.1	0	0	0	107.9	I307	I307-L335 HydrophobicContact CD1-CD1 4.08Å; I307-L335 HydrophobicContact CG1-CD1 3.63Å; I307-L335 HydrophobicContact CG1-CD2 4.18Å; I307-L335 HydrophobicContact CG1-CG 4.49Å
336	G	63.2	Low	81.4	Confident	19 Å²	19	41 Å²	41	20%	0.196	24%	0.238	C	C	.	.			trans	177.1	-176.4	-179.7	0	0	0	0	0	114.4	K339	G336-K339 WeakPolarHBondContact O-CG 3.31Å
337	A	68.3	Low	82.4	Confident	34 Å²	34	39.8 Å²	39.8	28%	0.281	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	136.5	-173	0	0	0	0	0	112.1	K339 H414 M415	A337-K339 VanDerWaalsContact C-N 3.28Å; A337-K339 PolarHBondContact O-N 3.02Å; A337-H414 CarbonylContact C-O 3.45Å; A337-H414 WeakPolarHBondContact CA-O 3.38Å; A337-H414 WeakPolarHBondContact CB-CE1 3.47Å; A337-H414 WeakPolarHBondContact CB-ND1 3.03Å; A337-M415 HydrophobicContact CB-CB 3.95Å; A337-M415 HydrophobicContact CB-CE 3.85Å; A337-M415 HydrophobicContact CB-CG 4.36Å; A337-M415 HydrophobicContact CB-SD 4.19Å
338	G	72	Confident	83.1	Confident	14 Å²	14	46 Å²	46	14%	0.144	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	6.9	171.9	0	0	0	0	0	116.4	V340 H414	G338-V340 PolarHBondContact O-N 3.44Å; G338-H414 WeakPolarHBondContact CA-CD2 3.24Å; G338-H414 WeakPolarHBondContact CA-NE2 3.37Å; G338-H414 PolarHBondContact N-O 3.3Å
339	K	84.7	Confident	83.5	Confident	19 Å²	19	42.8 Å²	42.8	8%	0.083	23%	0.225	C	C	.	.			trans	-83.2	60.7	-175.3	-56.1	-170.5	-171.7	-162.8	0	112.1	S327 I330 S332 S334 G336 A337	S327-K339 WeakPolarHBondContact O-CE 3.21Å; S327-K339 PolarHBondContact O-NZ 2.97Å; I330-K339 WeakPolarHBondContact CG1-O 3.38Å; S332-K339 VanDerWaalsContact CB-NZ 3.32Å; S332-K339 PolarHBondContact OG-NZ 2.93Å; S334-K339 WeakPolarHBondContact O-CD 3.14Å; S334-K339 WeakPolarHBondContact O-CE 3.48Å; S334-K339 PolarHBondContact O-NZ 3.29Å; S334-K339 PolarHBondContact OG-NZ 2.89Å; G336-K339 WeakPolarHBondContact O-CG 3.31Å; A337-K339 VanDerWaalsContact C-N 3.28Å; A337-K339 PolarHBondContact O-N 3.02Å
340	V	90	Very high	83.7	Confident	8 Å²	8	38.8 Å²	38.8	5%	0.048	21%	0.209	C	C	.	.			trans	-112.7	-0.1	-176.4	-59.4	0	0	0	0	113.4	L184 Y306 G338 P431	L184-V340 HydrophobicContact CD2-CB 4.31Å; Y306-V340 HydrophobicContact CE1-CG1 4.18Å; G338-V340 PolarHBondContact O-N 3.44Å; V340-P431 HydrophobicContact CG1-CB 3.92Å; V340-P431 HydrophobicContact CG1-CG 4.19Å
341	H	93.1	Very high	83.7	Confident	64 Å²	64	41.6 Å²	41.6	30%	0.296	22%	0.222	S	C	.	.	S	Bend	trans	-122.4	155.6	178.9	-62.2	-63.4	0	0	0	111	D187 Y329 I330 G446	D187-H341 VanDerWaalsContact CG-ND1 3.31Å; D187-H341 IonicContact OD1-CG 3.48Å; D187-H341 IonicContact OD1-ND1 3.77Å; D187-H341 PolarHBondContact OD1-ND1 2.95Å; D187-H341 IonicContact OD2-CE1 3.8Å; D187-H341 PolarHBondContact OD2-CE1 2.95Å; D187-H341 IonicContact OD2-ND1 3.81Å; D187-H341 PolarHBondContact OD2-ND1 3.46Å; Y329-H341 CarbonylContact C-O 3.58Å; Y329-H341 VanDerWaalsContact CA-O 3.28Å; Y329-H341 WeakPolarHBondContact CA-O 3.47Å; Y329-H341 VanDerWaalsContact CB-O 3.27Å; Y329-H341 WeakPolarHBondContact CB-O 3.29Å; Y329-H341 HydrophobicContact CD1-CB 4.22Å; Y329-H341 WeakPolarHBondContact CD1-O 3.39Å; I330-H341 PolarHBondContact N-O 3.42Å; H341-G446 PolarHBondContact NE2-O 2.66Å
342	W	94.6	Very high	83.5	Confident	5 Å²	5	44.6 Å²	44.6	2%	0.019	24%	0.241	C	C	.	.			trans	-86.2	146.8	173.4	-57.6	88.4	0	0	0	111.1	L184 Y185 S189 I190 T309 M318 Y329 I330 M331	L184-W342 PolarHBondContact O-NE1 2.95Å; Y185-W342 AromaticContact CD1-CZ2 3.86Å; Y185-W342 HydrophobicContact CD1-CZ2 3.86Å; Y185-W342 HydrophobicContact CD2-CZ2 4.08Å; Y185-W342 AromaticContact CE1-CH2 3.74Å; Y185-W342 HydrophobicContact CE1-CH2 3.74Å; Y185-W342 AromaticContact CE1-CZ2 3.53Å; Y185-W342 HydrophobicContact CE1-CZ2 3.53Å; Y185-W342 HydrophobicContact CE2-CH2 4.04Å; Y185-W342 AromaticContact CE2-CZ2 3.78Å; Y185-W342 HydrophobicContact CE2-CZ2 3.78Å; Y185-W342 HydrophobicContact CG-CZ2 4.12Å; Y185-W342 AromaticContact CZ-CH2 3.45Å; Y185-W342 VanDerWaalsContact CZ-CH2 3.45Å; Y185-W342 AromaticContact CZ-CZ2 3.48Å; Y185-W342 VanDerWaalsContact CZ-CZ2 3.48Å; Y185-W342 VanDerWaalsContact OH-CH2 3.3Å; Y185-W342 WeakPolarHBondContact OH-CH2 3.41Å; S189-W342 WeakPolarHBondContact CB-O 3.42Å; S189-W342 WeakPolarHBondContact OG-CA 3.43Å; S189-W342 VanDerWaalsContact OG-CB 3.32Å; S189-W342 WeakPolarHBondContact OG-CB 3.3Å; S189-W342 PolarHBondContact OG-N 2.73Å; S189-W342 PolarHBondContact OG-O 3.4Å; I190-W342 HydrophobicContact CB-CB 4.15Å; I190-W342 HydrophobicContact CB-CD2 4.32Å; I190-W342 HydrophobicContact CB-CG 3.72Å; I190-W342 HydrophobicContact CD1-CD2 3.76Å; I190-W342 HydrophobicContact CD1-CE3 4.17Å; I190-W342 HydrophobicContact CD1-CG 4.08Å; I190-W342 HydrophobicContact CD1-CZ2 4.22Å; I190-W342 HydrophobicContact CG1-CG 4.43Å; I190-W342 VanDerWaalsContact CG2-CD1 3.42Å; I190-W342 HydrophobicContact CG2-CG 4.13Å; T309-W342 HydrophobicContact CG2-CH2 3.9Å; T309-W342 HydrophobicContact CG2-CZ2 3.65Å; M318-W342 HydrophobicContact CE-CE3 4.17Å; M318-W342 HydrophobicContact CE-CH2 4.17Å; M318-W342 HydrophobicContact CE-CZ3 3.81Å; M318-W342 HydrophobicContact SD-CE3 3.52Å; M318-W342 VanDerWaalsContact SD-CE3 3.52Å; M318-W342 HydrophobicContact SD-CH2 4.14Å; M318-W342 HydrophobicContact SD-CZ3 3.24Å; M318-W342 WeakPolarHBondContact SD-CZ3 3.5Å; Y329-W342 WeakPolarHBondContact CD1-O 3.34Å; I330-W342 HydrophobicContact CB-CD2 4.45Å; I330-W342 HydrophobicContact CB-CE3 4.27Å; I330-W342 HydrophobicContact CB-CZ3 4.35Å; I330-W342 HydrophobicContact CD1-CD2 3.99Å; I330-W342 HydrophobicContact CD1-CG 4.22Å; I330-W342 HydrophobicContact CD1-CZ2 4.05Å; I330-W342 HydrophobicContact CG2-CE3 4.33Å; I330-W342 HydrophobicContact CG2-CH2 3.87Å; I330-W342 HydrophobicContact CG2-CZ2 4.27Å; I330-W342 HydrophobicContact CG2-CZ3 3.9Å; M331-W342 HydrophobicContact CG-CE3 4.01Å; M331-W342 HydrophobicContact CG-CZ3 3.72Å; M331-W342 HydrophobicContact SD-CZ3 3.79Å
343	S	92.3	Very high	83.8	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.007	24%	0.242	C	C	.	.			trans	-82.6	163.1	174.6	93.2	0	0	0	0	110.8	D321 C325 C345 S346 N347	D321-S343 WeakPolarHBondContact OD1-CB 3.43Å; D321-S343 PolarHBondContact OD1-OG 3.44Å; C325-S343 PolarHBondContact SG-OG 2.92Å; C325-S343 VanDerWaalsContact SG-OG 3.4Å; S343-C345 PolarHBondContact O-N 2.9Å; S343-C345 WeakPolarHBondContact OG-CA 3.37Å; S343-C345 WeakPolarHBondContact OG-CB 3.46Å; S343-C345 PolarHBondContact OG-N 3.27Å; S343-S346 PolarHBondContact N-OG 3.32Å; S343-S346 PolarHBondContact O-N 3.4Å; S343-S346 PolarHBondContact OG-N 2.98Å; S343-S346 PolarHBondContact OG-OG 3.19Å; S343-N347 PolarHBondContact O-N 3.12Å
344	K	91.6	Very high	84.8	Confident	186 Å²	186	44.2 Å²	44.2	81%	0.809	23%	0.233	S	C	*	.	H	α-helix	trans	-59.7	-29.3	169	-66.5	-176.5	179.9	-179.7	0	112.1	R348	K344-R348 WeakPolarHBondContact O-CB 3.38Å; K344-R348 PolarHBondContact O-N 3.44Å; K344-R348 VanDerWaalsContact O-N 3.11Å
345	C	88.2	Confident	85.6	Confident	35 Å²	35	47.4 Å²	47.4	24%	0.236	24%	0.238	C	C	.	.	H	α-helix	trans	-69.4	-47.9	176.4	-59.5	0	0	0	0	110.7	C325 S343 N347 R348 S349	C325-C345 HydrophobicContact CB-CB 3.85Å; C325-C345 WeakPolarHBondContact CB-SG 3.3Å; C325-C345 WeakPolarHBondContact SG-CB 3.28Å; C325-C345 PolarHBondContact SG-N 2.81Å; C325-C345 VanDerWaalsContact SG-N 3.43Å; C325-C345 CovalentContact SG-SG 2.04Å; C325-C345 PolarHBondContact SG-SG 3.03Å; S343-C345 PolarHBondContact O-N 2.9Å; S343-C345 WeakPolarHBondContact OG-CA 3.37Å; S343-C345 WeakPolarHBondContact OG-CB 3.46Å; S343-C345 PolarHBondContact OG-N 3.27Å; C345-N347 PolarHBondContact O-N 2.01Å; C345-R348 PolarHBondContact O-N 3.38Å; C345-S349 PolarHBondContact O-N 3.42Å; C345-S349 PolarHBondContact O-OG 3.42Å; C345-S349 VanDerWaalsContact O-OG 3.11Å
346	S	91.4	Very high	86.1	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.9	-47.7	179	-21.2	0	0	0	0	110.7	D321 S343 R348 S349 F350	D321-S346 PolarHBondContact OD1-OG 2.85Å; S343-S346 PolarHBondContact N-OG 3.32Å; S343-S346 PolarHBondContact O-N 3.4Å; S343-S346 PolarHBondContact OG-N 2.98Å; S343-S346 PolarHBondContact OG-OG 3.19Å; S346-R348 VanDerWaalsContact C-N 3.34Å; S346-R348 PolarHBondContact O-N 2.04Å; S346-S349 PolarHBondContact O-N 3.14Å; S346-F350 WeakPolarHBondContact O-CB 3.23Å; S346-F350 PolarHBondContact O-N 3.32Å
347	N	93.8	Very high	87	Confident	31 Å²	31	46.6 Å²	46.6	17%	0.166	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-40.8	178.8	-170.3	29.7	0	0	0	112.3	S191 S343 C345 F350 Q351	S191-N347 PolarHBondContact N-OD1 2.95Å; S191-N347 PolarHBondContact O-OD1 3.1Å; S343-N347 PolarHBondContact O-N 3.12Å; C345-N347 PolarHBondContact O-N 2.01Å; N347-F350 PolarHBondContact O-N 3.11Å; N347-Q351 VanDerWaalsContact O-CG 3.32Å; N347-Q351 WeakPolarHBondContact O-CG 3.05Å; N347-Q351 PolarHBondContact O-N 2.91Å
348	R	89.1	Confident	87.7	Confident	180 Å²	180	47.3 Å²	47.3	68%	0.679	23%	0.225	S	C	*	.	H	α-helix	trans	-62.9	-44.9	175.2	-177	-175.1	-64.6	-175.5	-0.7	111.9	K344 C345 S346 Q351 T352	K344-R348 WeakPolarHBondContact O-CB 3.38Å; K344-R348 PolarHBondContact O-N 3.44Å; K344-R348 VanDerWaalsContact O-N 3.11Å; C345-R348 PolarHBondContact O-N 3.38Å; S346-R348 VanDerWaalsContact C-N 3.34Å; S346-R348 PolarHBondContact O-N 2.04Å; R348-Q351 PolarHBondContact O-N 3.36Å; R348-T352 WeakPolarHBondContact O-CB 3.28Å; R348-T352 PolarHBondContact O-N 2.81Å; R348-T352 PolarHBondContact O-OG1 2.85Å
349	S	88.1	Confident	87.8	Confident	31 Å²	31	54.3 Å²	54.3	22%	0.217	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-43.9	179.2	-63.7	0	0	0	0	111.4	G317 C345 S346 T352 Y353	G317-S349 WeakPolarHBondContact O-CB 2.96Å; C345-S349 PolarHBondContact O-N 3.42Å; C345-S349 PolarHBondContact O-OG 3.42Å; C345-S349 VanDerWaalsContact O-OG 3.11Å; S346-S349 PolarHBondContact O-N 3.14Å; S349-T352 WeakPolarHBondContact O-CB 2.95Å; S349-T352 PolarHBondContact O-N 3.15Å; S349-Y353 PolarHBondContact O-N 3.05Å
350	F	92.7	Very high	87.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.6	-51.6	174.8	174.4	-130.3	0	0	0	113	L142 I190 P192 L316 M318 S346 N347 T352 Y353 L354	L142-F350 HydrophobicContact CD1-CZ 4.13Å; I190-F350 HydrophobicContact CD1-CD1 3.9Å; I190-F350 HydrophobicContact CD1-CE1 4.19Å; I190-F350 HydrophobicContact CD1-CG 4.41Å; I190-F350 HydrophobicContact CG1-CD1 3.73Å; I190-F350 HydrophobicContact CG1-CE1 3.97Å; P192-F350 HydrophobicContact CG-CE1 4.23Å; P192-F350 HydrophobicContact CG-CZ 4.46Å; P192-F350 WeakPolarHBondContact O-CE1 3.4Å; L316-F350 HydrophobicContact CB-CD2 3.96Å; L316-F350 HydrophobicContact CB-CE2 4.35Å; L316-F350 HydrophobicContact CD1-CD2 4.22Å; L316-F350 HydrophobicContact CD1-CE2 3.96Å; L316-F350 HydrophobicContact CD2-CD2 4.35Å; L316-F350 HydrophobicContact CD2-CE2 3.93Å; L316-F350 HydrophobicContact CG-CD2 4.41Å; L316-F350 HydrophobicContact CG-CE2 4.31Å; M318-F350 HydrophobicContact CE-CB 3.64Å; M318-F350 HydrophobicContact CE-CD1 4.4Å; M318-F350 HydrophobicContact CE-CD2 4.04Å; M318-F350 HydrophobicContact CE-CG 3.78Å; M318-F350 HydrophobicContact CG-CB 4.06Å; M318-F350 HydrophobicContact SD-CB 4.34Å; S346-F350 WeakPolarHBondContact O-CB 3.23Å; S346-F350 PolarHBondContact O-N 3.32Å; N347-F350 PolarHBondContact O-N 3.11Å; F350-T352 PolarHBondContact O-N 3.31Å; F350-Y353 WeakPolarHBondContact O-CB 3.22Å; F350-Y353 PolarHBondContact O-N 3.05Å; F350-Y353 VanDerWaalsContact O-N 3.08Å; F350-L354 HydrophobicContact CD1-CD1 4.35Å; F350-L354 HydrophobicContact CD2-CD1 4.16Å; F350-L354 HydrophobicContact CD2-CG 4.12Å; F350-L354 HydrophobicContact CE1-CD1 3.9Å; F350-L354 HydrophobicContact CE2-CD1 3.68Å; F350-L354 HydrophobicContact CE2-CD2 3.97Å; F350-L354 HydrophobicContact CE2-CG 3.8Å; F350-L354 HydrophobicContact CG-CD1 4.49Å; F350-L354 HydrophobicContact CZ-CD1 3.56Å; F350-L354 HydrophobicContact CZ-CD2 4.45Å; F350-L354 HydrophobicContact CZ-CG 4.21Å; F350-L354 WeakPolarHBondContact O-CG 3.08Å; F350-L354 PolarHBondContact O-N 2.91Å
351	Q	91.1	Very high	86.7	Confident	70 Å²	70	69.7 Å²	69.7	33%	0.327	31%	0.306	S	S	.	.	H	α-helix	trans	-59.1	-38.1	176.2	-71.7	177.7	3.7	0	0	112.1	S191 N347 R348 Y353 L354 K355	S191-Q351 WeakPolarHBondContact O-CG 3.48Å; S191-Q351 PolarHBondContact O-NE2 3.49Å; N347-Q351 VanDerWaalsContact O-CG 3.32Å; N347-Q351 WeakPolarHBondContact O-CG 3.05Å; N347-Q351 PolarHBondContact O-N 2.91Å; R348-Q351 PolarHBondContact O-N 3.36Å; Q351-Y353 VanDerWaalsContact C-N 3.35Å; Q351-L354 PolarHBondContact O-N 3.43Å; Q351-K355 VanDerWaalsContact O-CG 3.3Å; Q351-K355 WeakPolarHBondContact O-CG 3.49Å; Q351-K355 PolarHBondContact O-N 3.4Å
352	T	83.6	Confident	86	Confident	64 Å²	64	72.3 Å²	72.3	39%	0.393	31%	0.313	S	S	.	.	H	α-helix	trans	-64.8	-40.9	176.4	-58.2	0	0	0	0	111.2	R348 S349 F350 K355 K356	R348-T352 WeakPolarHBondContact O-CB 3.28Å; R348-T352 PolarHBondContact O-N 2.81Å; R348-T352 PolarHBondContact O-OG1 2.85Å; S349-T352 WeakPolarHBondContact O-CB 2.95Å; S349-T352 PolarHBondContact O-N 3.15Å; F350-T352 PolarHBondContact O-N 3.31Å; T352-K355 PolarHBondContact O-N 3.5Å; T352-K356 WeakPolarHBondContact O-CG 3.35Å; T352-K356 PolarHBondContact O-N 2.75Å; T352-K356 VanDerWaalsContact O-N 3.09Å
353	Y	87.8	Confident	85.5	Confident	6 Å²	6	73 Å²	73	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-45.2	177	-174.7	-125.5	0	0	0	112.2	M114 Y285 V287 L316 S349 F350 Q351 K355 K356 L357	M114-Y353 HydrophobicContact SD-CE2 4.48Å; Y285-Y353 AromaticContact CD1-CD2 3.39Å; Y285-Y353 HydrophobicContact CD1-CD2 3.39Å; Y285-Y353 AromaticContact CD1-CE2 3.67Å; Y285-Y353 HydrophobicContact CD1-CE2 3.67Å; Y285-Y353 HydrophobicContact CD1-CG 4.01Å; Y285-Y353 HydrophobicContact CE1-CD2 4.15Å; Y285-Y353 HydrophobicContact CG-CD2 4.24Å; Y285-Y353 HydrophobicContact CG-CE2 4.07Å; Y285-Y353 PolarHBondContact O-OH 2.79Å; V287-Y353 HydrophobicContact CB-CE1 4.36Å; V287-Y353 PolarHBondContact O-OH 3.43Å; L316-Y353 VanDerWaalsContact C-CD1 3.44Å; L316-Y353 VanDerWaalsContact O-CB 3.27Å; L316-Y353 WeakPolarHBondContact O-CB 3.44Å; L316-Y353 WeakPolarHBondContact O-CD1 3.19Å; S349-Y353 PolarHBondContact O-N 3.05Å; F350-Y353 WeakPolarHBondContact O-CB 3.22Å; F350-Y353 PolarHBondContact O-N 3.05Å; F350-Y353 VanDerWaalsContact O-N 3.08Å; Q351-Y353 VanDerWaalsContact C-N 3.35Å; Y353-K355 VanDerWaalsContact C-N 3.31Å; Y353-K355 PolarHBondContact O-N 2.96Å; Y353-K356 WeakPolarHBondContact O-CA 3.38Å; Y353-K356 WeakPolarHBondContact O-CB 3.49Å; Y353-K356 PolarHBondContact O-N 2.97Å; Y353-L357 HydrophobicContact CD1-CD1 3.94Å; Y353-L357 HydrophobicContact CD1-CG 4.41Å; Y353-L357 HydrophobicContact CE1-CD1 3.52Å; Y353-L357 HydrophobicContact CE1-CD2 4.47Å; Y353-L357 HydrophobicContact CE1-CG 4.03Å; Y353-L357 HydrophobicContact CE2-CD1 4.49Å; Y353-L357 HydrophobicContact CE2-CD2 4.25Å; Y353-L357 HydrophobicContact CE2-CG 4.1Å; Y353-L357 PolarHBondContact O-N 3.32Å
354	L	88.9	Confident	85.3	Confident	11 Å²	11	74.2 Å²	74.2	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-59.1	-41.6	174.7	-67.4	175.8	0	0	0	112.3	L142 P192 F350 Q351 K356 L357 N358 L365	L142-L354 HydrophobicContact CD1-CD1 3.57Å; L142-L354 HydrophobicContact CD1-CD2 3.63Å; L142-L354 HydrophobicContact CD1-CG 4.26Å; P192-L354 HydrophobicContact CG-CD1 3.4Å; P192-L354 VanDerWaalsContact CG-CD1 3.4Å; F350-L354 HydrophobicContact CD1-CD1 4.35Å; F350-L354 HydrophobicContact CD2-CD1 4.16Å; F350-L354 HydrophobicContact CD2-CG 4.12Å; F350-L354 HydrophobicContact CE1-CD1 3.9Å; F350-L354 HydrophobicContact CE2-CD1 3.68Å; F350-L354 HydrophobicContact CE2-CD2 3.97Å; F350-L354 HydrophobicContact CE2-CG 3.8Å; F350-L354 HydrophobicContact CG-CD1 4.49Å; F350-L354 HydrophobicContact CZ-CD1 3.56Å; F350-L354 HydrophobicContact CZ-CD2 4.45Å; F350-L354 HydrophobicContact CZ-CG 4.21Å; F350-L354 WeakPolarHBondContact O-CG 3.08Å; F350-L354 PolarHBondContact O-N 2.91Å; Q351-L354 PolarHBondContact O-N 3.43Å; L354-K356 VanDerWaalsContact C-N 3.31Å; L354-K356 PolarHBondContact O-N 2.7Å; L354-L357 PolarHBondContact O-N 2.93Å; L354-N358 WeakPolarHBondContact O-CB 3.5Å; L354-N358 VanDerWaalsContact O-CG 3.25Å; L354-N358 PolarHBondContact O-N 3.25Å; L354-N358 PolarHBondContact O-ND2 2.94Å; L354-L365 HydrophobicContact CD2-CD1 3.99Å
355	K	84.3	Confident	85.2	Confident	130 Å²	130	65.4 Å²	65.4	57%	0.565	29%	0.288	S	S	*	.	H	α-helix	trans	-58.9	-42.3	173.9	-76.1	176	-177.7	-176.9	0	111.5	Q351 T352 Y353 Y359	Q351-K355 VanDerWaalsContact O-CG 3.3Å; Q351-K355 WeakPolarHBondContact O-CG 3.49Å; Q351-K355 PolarHBondContact O-N 3.4Å; T352-K355 PolarHBondContact O-N 3.5Å; Y353-K355 VanDerWaalsContact C-N 3.31Å; Y353-K355 PolarHBondContact O-N 2.96Å; K355-Y359 VanDerWaalsContact O-CB 3.28Å; K355-Y359 WeakPolarHBondContact O-CB 3.29Å; K355-Y359 PolarHBondContact O-N 2.88Å
356	K	78.8	Confident	84.9	Confident	79 Å²	79	68.2 Å²	68.2	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-64.3	-47.8	175.3	-71.1	176.1	178.8	178.4	0	111.7	T352 Y353 L354 N358 Y359 Y360	T352-K356 WeakPolarHBondContact O-CG 3.35Å; T352-K356 PolarHBondContact O-N 2.75Å; T352-K356 VanDerWaalsContact O-N 3.09Å; Y353-K356 WeakPolarHBondContact O-CA 3.38Å; Y353-K356 WeakPolarHBondContact O-CB 3.49Å; Y353-K356 PolarHBondContact O-N 2.97Å; L354-K356 VanDerWaalsContact C-N 3.31Å; L354-K356 PolarHBondContact O-N 2.7Å; K356-N358 VanDerWaalsContact C-N 3.31Å; K356-N358 PolarHBondContact O-N 3.26Å; K356-Y359 WeakPolarHBondContact O-CB 3.3Å; K356-Y359 PolarHBondContact O-N 3.11Å; K356-Y360 WeakPolarHBondContact O-CD2 3.02Å; K356-Y360 PolarHBondContact O-N 2.79Å
357	L	81.8	Confident	83.7	Confident	10 Å²	10	71.4 Å²	71.4	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-42.9	178.1	-74.2	178.1	0	0	0	112	C288 Y353 L354 Y360 R361 R362 N363	C288-L357 HydrophobicContact CB-CD1 4.47Å; C288-L357 HydrophobicContact CB-CD2 4.05Å; Y353-L357 HydrophobicContact CD1-CD1 3.94Å; Y353-L357 HydrophobicContact CD1-CG 4.41Å; Y353-L357 HydrophobicContact CE1-CD1 3.52Å; Y353-L357 HydrophobicContact CE1-CD2 4.47Å; Y353-L357 HydrophobicContact CE1-CG 4.03Å; Y353-L357 HydrophobicContact CE2-CD1 4.49Å; Y353-L357 HydrophobicContact CE2-CD2 4.25Å; Y353-L357 HydrophobicContact CE2-CG 4.1Å; Y353-L357 PolarHBondContact O-N 3.32Å; L354-L357 PolarHBondContact O-N 2.93Å; L357-Y360 PolarHBondContact O-N 3.14Å; L357-R361 PolarHBondContact O-N 3.01Å; L357-R361 VanDerWaalsContact O-N 3.14Å; L357-R362 HydrophobicContact CD2-CB 4.38Å; L357-R362 PolarHBondContact O-N 3.2Å; L357-N363 HydrophobicContact CB-CB 3.75Å; L357-N363 PolarHBondContact O-N 2.95Å
358	N	83.4	Confident	82.2	Confident	50 Å²	50	72.4 Å²	72.4	27%	0.267	33%	0.334	S	S	.	.	H	α-helix	trans	-64.1	-45.5	175.6	-72.4	-13.3	0	0	0	111.7	L354 K356 Y360 R361 N363 I366	L354-N358 WeakPolarHBondContact O-CB 3.5Å; L354-N358 VanDerWaalsContact O-CG 3.25Å; L354-N358 PolarHBondContact O-N 3.25Å; L354-N358 PolarHBondContact O-ND2 2.94Å; K356-N358 VanDerWaalsContact C-N 3.31Å; K356-N358 PolarHBondContact O-N 3.26Å; N358-Y360 VanDerWaalsContact C-N 3.3Å; N358-Y360 PolarHBondContact O-N 2.92Å; N358-R361 PolarHBondContact O-N 3.02Å; N358-N363 WeakPolarHBondContact OD1-CB 3.39Å; N358-N363 PolarHBondContact OD1-ND2 3.33Å; N358-I366 VanDerWaalsContact OD1-CD1 3.3Å; N358-I366 WeakPolarHBondContact OD1-CD1 3.38Å
359	Y	74.5	Confident	80.7	Confident	161 Å²	161	68.2 Å²	68.2	63%	0.631	32%	0.322	S	S	*	.	H	α-helix	trans	-57	-43.5	178.2	-179.9	-96.7	0	0	0	112	K355 K356 R361	K355-Y359 VanDerWaalsContact O-CB 3.28Å; K355-Y359 WeakPolarHBondContact O-CB 3.29Å; K355-Y359 PolarHBondContact O-N 2.88Å; K356-Y359 WeakPolarHBondContact O-CB 3.3Å; K356-Y359 PolarHBondContact O-N 3.11Å; Y359-R361 VanDerWaalsContact C-N 3.29Å; Y359-R361 PolarHBondContact O-N 3.4Å
360	Y	74.5	Confident	79.3	Confident	130 Å²	130	71.3 Å²	71.3	51%	0.51	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	1.3	177.4	-65.3	-65.5	0	0	0	114.4	K356 L357 N358 R362	K356-Y360 WeakPolarHBondContact O-CD2 3.02Å; K356-Y360 PolarHBondContact O-N 2.79Å; L357-Y360 PolarHBondContact O-N 3.14Å; N358-Y360 VanDerWaalsContact C-N 3.3Å; N358-Y360 PolarHBondContact O-N 2.92Å; Y360-R362 PolarHBondContact O-N 2.9Å
361	R	77.4	Confident	77.2	Confident	219 Å²	219	76.9 Å²	76.9	83%	0.826	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	38.2	-172.5	-55.6	-173.5	-177.6	-163.6	1	113.2	L357 N358 Y359	L357-R361 PolarHBondContact O-N 3.01Å; L357-R361 VanDerWaalsContact O-N 3.14Å; N358-R361 PolarHBondContact O-N 3.02Å; Y359-R361 VanDerWaalsContact C-N 3.29Å; Y359-R361 PolarHBondContact O-N 3.4Å
362	R	77	Confident	75.4	Confident	119 Å²	119	76 Å²	76	45%	0.449	37%	0.367	S	S	.	.			trans	-115.2	10.5	179.4	-67.3	-174	-177.9	-169.4	0.9	113.1	C288 L357 Y360 C364	C288-R362 WeakPolarHBondContact CB-O 2.94Å; L357-R362 HydrophobicContact CD2-CB 4.38Å; L357-R362 PolarHBondContact O-N 3.2Å; Y360-R362 PolarHBondContact O-N 2.9Å; R362-C364 PolarHBondContact O-N 2.89Å
363	N	85.2	Confident	73.6	Confident	20 Å²	20	75.1 Å²	75.1	11%	0.107	37%	0.371	C	S	.	.			trans	-72.3	97.8	178.8	-165.8	-8.8	0	0	0	110.7	L357 N358 L365 I366	L357-N363 HydrophobicContact CB-CB 3.75Å; L357-N363 PolarHBondContact O-N 2.95Å; N358-N363 WeakPolarHBondContact OD1-CB 3.39Å; N358-N363 PolarHBondContact OD1-ND2 3.33Å; N363-L365 PolarHBondContact O-N 2.83Å; N363-L365 VanDerWaalsContact OD1-CB 3.31Å; N363-L365 WeakPolarHBondContact OD1-CB 3.27Å; N363-L365 PolarHBondContact OD1-N 3Å; N363-I366 HydrophobicContact CB-CD1 3.89Å; N363-I366 HydrophobicContact CB-CG1 4.19Å; N363-I366 WeakPolarHBondContact ND2-CD1 3.34Å; N363-I366 WeakPolarHBondContact ND2-CG1 3.17Å
364	C	88.4	Confident	71.4	Confident	27 Å²	27	79.9 Å²	79.9	18%	0.182	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-69.4	-19.8	175.9	66.8	0	0	0	0	113	D242 C288 R362 I366	D242-C364 VanDerWaalsContact CG-SG 3.54Å; D242-C364 VanDerWaalsContact OD1-CB 3.26Å; D242-C364 WeakPolarHBondContact OD1-CB 3.32Å; D242-C364 PolarHBondContact OD1-SG 2.9Å; D242-C364 VanDerWaalsContact OD1-SG 3.34Å; C288-C364 WeakPolarHBondContact CA-SG 3.34Å; C288-C364 HydrophobicContact CB-CB 3.84Å; C288-C364 WeakPolarHBondContact CB-SG 3.4Å; C288-C364 WeakPolarHBondContact SG-CB 2.98Å; C288-C364 PolarHBondContact SG-N 2.8Å; C288-C364 CovalentContact SG-SG 2.04Å; C288-C364 PolarHBondContact SG-SG 3.34Å; R362-C364 PolarHBondContact O-N 2.89Å; C364-I366 VanDerWaalsContact C-N 3.34Å; C364-I366 PolarHBondContact O-N 3.37Å
365	L	89.5	Confident	69.6	Low	1 Å²	1	82.6 Å²	82.6	1%	0.005	42%	0.416	C	S	.	.	G	3₁₀ helix	trans	-81.2	-6.9	-171.7	-51.1	175.3	0	0	0	114.9	L142 T143 M144 L194 D242 V287 L316 L354 N363	L142-L365 WeakPolarHBondContact CA-O 3.09Å; L142-L365 HydrophobicContact CB-CB 4.23Å; L142-L365 HydrophobicContact CD2-CB 4.25Å; T143-L365 PolarHBondContact N-O 3.31Å; T143-L365 CarbonylContact O-C 3.16Å; T143-L365 VanDerWaalsContact O-CA 3.26Å; T143-L365 WeakPolarHBondContact O-CA 3.43Å; M144-L365 HydrophobicContact CB-CD2 3.84Å; M144-L365 HydrophobicContact CE-CD2 4.15Å; M144-L365 HydrophobicContact CG-CD2 3.98Å; L194-L365 HydrophobicContact CD1-CD1 4.38Å; D242-L365 HydrophobicContact CB-CD2 4.35Å; V287-L365 HydrophobicContact CG1-CD1 4.12Å; V287-L365 HydrophobicContact CG1-CD2 3.89Å; V287-L365 HydrophobicContact CG1-CG 4.26Å; L316-L365 HydrophobicContact CD2-CD1 4.02Å; L354-L365 HydrophobicContact CD2-CD1 3.99Å; N363-L365 PolarHBondContact O-N 2.83Å; N363-L365 VanDerWaalsContact OD1-CB 3.31Å; N363-L365 WeakPolarHBondContact OD1-CB 3.27Å; N363-L365 PolarHBondContact OD1-N 3Å
366	I	82	Confident	67.8	Low	94 Å²	94	82.9 Å²	82.9	48%	0.482	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-83.9	-22.8	-177.6	-61.9	175.7	0	0	0	111.3	L142 N358 N363 C364	L142-I366 HydrophobicContact CD2-CG1 4.07Å; N358-I366 VanDerWaalsContact OD1-CD1 3.3Å; N358-I366 WeakPolarHBondContact OD1-CD1 3.38Å; N363-I366 HydrophobicContact CB-CD1 3.89Å; N363-I366 HydrophobicContact CB-CG1 4.19Å; N363-I366 WeakPolarHBondContact ND2-CD1 3.34Å; N363-I366 WeakPolarHBondContact ND2-CG1 3.17Å; C364-I366 VanDerWaalsContact C-N 3.34Å; C364-I366 PolarHBondContact O-N 3.37Å
367	S	66.2	Low	66.6	Low	67 Å²	67	81.6 Å²	81.6	47%	0.469	42%	0.423	S	S	.	.			trans	-124	111	-176.5	62.7	0	0	0	0	111.1
368	A	62.3	Low	65.8	Low	51 Å²	51	87.3 Å²	87.3	42%	0.421	46%	0.459	S	S	.	.			trans	-78.4	123.5	164.2	0	0	0	0	0	109.2	T143	T143-A368 HydrophobicContact CG2-CB 4.02Å
369	Q	57.7	Low	65.4	Low	92 Å²	92	88.5 Å²	88.5	43%	0.43	46%	0.464	S	S	.	.	S	Bend	trans	-85.6	-28.8	171.2	-77.7	164.9	60.8	0	0	111.2	E145	E145-Q369 WeakPolarHBondContact OE1-CA 3.41Å; E145-Q369 PolarHBondContact OE1-N 2.88Å
370	F	57.3	Low	66	Low	96 Å²	96	82.2 Å²	82.2	42%	0.421	44%	0.442	S	S	.	.	S	Bend	trans	-106.8	130.4	177	-59.9	-79.1	0	0	0	109.9	E145 V199 V372	E145-F370 WeakPolarHBondContact OE1-CD2 3.45Å; E145-F370 PolarHBondContact OE1-N 3.38Å; V199-F370 HydrophobicContact CB-CD2 4.16Å; V199-F370 HydrophobicContact CG1-CB 3.88Å; V199-F370 HydrophobicContact CG1-CD2 3.56Å; V199-F370 HydrophobicContact CG1-CE2 4.39Å; V199-F370 HydrophobicContact CG1-CG 3.9Å; F370-V372 PolarHBondContact O-N 2.82Å
371	P	49.4	Very low	66.7	Low	118 Å²	118	76.1 Å²	76.1	77%	0.766	42%	0.418	S	S	*	.			trans	-57.2	135.7	173.9	23.3	-30.6	0	0	0	108.7	G373	P371-G373 PolarHBondContact O-N 2.97Å
372	V	52.5	Low	67.2	Low	51 Å²	51	65.9 Å²	65.9	31%	0.309	38%	0.38	S	S	.	.			trans	-59	105.4	173.8	-174.9	0	0	0	0	106.7	T143 F370	T143-V372 HydrophobicContact CG2-CG2 4.18Å; F370-V372 PolarHBondContact O-N 2.82Å
373	G	45.8	Very low	67.5	Low	46 Å²	46	61.2 Å²	61.2	47%	0.474	36%	0.364	S	S	.	.			trans	-58.1	132.5	170.4	0	0	0	0	0	107.1	P371 I375	P371-G373 PolarHBondContact O-N 2.97Å; G373-I375 PolarHBondContact O-N 3.44Å
374	P	42.5	Very low	67.4	Low	106 Å²	106	63.3 Å²	63.3	69%	0.688	37%	0.372	S	S	*	.			trans	-60.3	116	179.7	25.5	-32.3	0	0	0	107	N376	P374-N376 HydrophobicContact CB-CB 4.08Å; P374-N376 PolarHBondContact O-N 3.36Å
375	I	51.1	Low	67.3	Low	67 Å²	67	63 Å²	63	34%	0.344	37%	0.367	S	S	.	.			trans	-69.4	77	159	-55.3	177.4	0	0	0	104.2	H179 G373 T377	H179-I375 HydrophobicContact CB-CG2 4.21Å; G373-I375 PolarHBondContact O-N 3.44Å; I375-T377 HydrophobicContact CG2-CG2 4.27Å; I375-T377 PolarHBondContact O-N 2.77Å
376	N	45.6	Very low	67	Low	137 Å²	137	64.1 Å²	64.1	73%	0.733	38%	0.375	S	S	*	.			trans	-81.3	65.8	-171.2	-148.9	10.6	0	0	0	108.2	P374	P374-N376 HydrophobicContact CB-CB 4.08Å; P374-N376 PolarHBondContact O-N 3.36Å
377	T	55.3	Low	67.2	Low	51 Å²	51	59.6 Å²	59.6	31%	0.313	35%	0.352	S	S	.	.			trans	-105.6	99.6	170	52.7	0	0	0	0	106.3	H179 I375 L379	H179-T377 PolarHBondContact CE1-OG1 3.49Å; H179-T377 PolarHBondContact ND1-OG1 2.99Å; I375-T377 HydrophobicContact CG2-CG2 4.27Å; I375-T377 PolarHBondContact O-N 2.77Å; T377-L379 PolarHBondContact O-N 3.17Å
378	T	63.4	Low	68	Low	131 Å²	131	57.8 Å²	57.8	80%	0.804	34%	0.337	S	S	*	.	S	Bend	trans	-57	-22.2	169.2	49.3	0	0	0	0	111.9
379	L	75.7	Confident	69.2	Low	74 Å²	74	59 Å²	59	39%	0.387	33%	0.334	S	S	.	.	S	Bend	trans	-102.2	136	179.2	-60	175.5	0	0	0	111.5	T377 Q383 P458	T377-L379 PolarHBondContact O-N 3.17Å; L379-Q383 HydrophobicContact CB-CB 4.16Å; L379-Q383 HydrophobicContact CD2-CB 4.27Å; L379-P458 HydrophobicContact CD2-CB 4.33Å; L379-P458 HydrophobicContact CD2-CG 4.11Å
380	L	86.4	Confident	70.7	Confident	30 Å²	30	54.6 Å²	54.6	16%	0.157	31%	0.314	C	S	.	.			trans	-68.8	155.3	169.6	-66.5	169.1	0	0	0	110.9	I183 G382 Q383 K384 E434 R445	I183-L380 HydrophobicContact CD1-CD2 3.85Å; L380-G382 PolarHBondContact O-N 3.12Å; L380-G382 VanDerWaalsContact O-N 3.11Å; L380-Q383 HydrophobicContact CB-CG 4.19Å; L380-Q383 WeakPolarHBondContact O-CA 3.44Å; L380-Q383 WeakPolarHBondContact O-CB 3.4Å; L380-Q383 PolarHBondContact O-N 3.39Å; L380-K384 PolarHBondContact O-N 3.47Å; L380-K384 VanDerWaalsContact O-N 3.14Å; L380-E434 WeakPolarHBondContact CB-O 3.32Å; L380-R445 VanDerWaalsContact CD1-CZ 3.48Å; L380-R445 VanDerWaalsContact CD1-NH1 3.27Å
381	P	89.9	Confident	71.9	Confident	1 Å²	1	50 Å²	50	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-50.4	-40.7	-177.2	-31.1	38.2	0	0	0	114.5	T176 H180 I183 Q383 K384 Y385 L433	T176-P381 HydrophobicContact CG2-CB 3.77Å; T176-P381 HydrophobicContact CG2-CG 4.46Å; H180-P381 HydrophobicContact CB-CB 4.24Å; H180-P381 HydrophobicContact CB-CG 3.78Å; I183-P381 HydrophobicContact CD1-CG 3.99Å; P381-Q383 VanDerWaalsContact C-N 3.35Å; P381-K384 PolarHBondContact O-N 3.33Å; P381-Y385 PolarHBondContact O-N 2.92Å; P381-L433 HydrophobicContact CB-CB 4.13Å; P381-L433 HydrophobicContact CB-CD1 4.12Å
382	G	88.7	Confident	73.5	Confident	4 Å²	4	47.4 Å²	47.4	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-78.8	-11.4	178.7	0	0	0	0	0	115.7	L380 Y385 E434 G435 T436	L380-G382 PolarHBondContact O-N 3.12Å; L380-G382 VanDerWaalsContact O-N 3.11Å; G382-Y385 CarbonylContact C-O 3.59Å; G382-Y385 WeakPolarHBondContact CA-O 3.11Å; G382-Y385 VanDerWaalsContact O-O 3.09Å; G382-E434 WeakPolarHBondContact CA-O 2.9Å; G382-E434 PolarHBondContact N-O 2.87Å; G382-G435 CarbonylContact C-O 3.55Å; G382-T436 WeakPolarHBondContact CA-OG1 3.44Å; G382-T436 WeakPolarHBondContact O-CA 3.31Å
383	Q	82.8	Confident	74.8	Confident	22 Å²	22	46.8 Å²	46.8	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-85.9	-26.8	169.2	-62.6	172.9	-32.6	0	0	111	L379 L380 P381 G435 P458	L379-Q383 HydrophobicContact CB-CB 4.16Å; L379-Q383 HydrophobicContact CD2-CB 4.27Å; L380-Q383 HydrophobicContact CB-CG 4.19Å; L380-Q383 WeakPolarHBondContact O-CA 3.44Å; L380-Q383 WeakPolarHBondContact O-CB 3.4Å; L380-Q383 PolarHBondContact O-N 3.39Å; P381-Q383 VanDerWaalsContact C-N 3.35Å; Q383-G435 VanDerWaalsContact CG-O 3.27Å; Q383-G435 WeakPolarHBondContact CG-O 3.34Å; Q383-P458 HydrophobicContact CB-CG 4.12Å; Q383-P458 HydrophobicContact CG-CG 3.72Å; Q383-P458 VanDerWaalsContact NE2-CD 3.27Å
384	K	82.9	Confident	76.1	Confident	63 Å²	63	45.6 Å²	45.6	27%	0.274	25%	0.249	S	C	.	.	H	α-helix	trans	-82.4	-34.6	174.4	-173.8	179.6	179.4	-173.3	0	112.8	D172 T176 L380 P381	D172-K384 VanDerWaalsContact CG-CE 3.43Å; D172-K384 WeakPolarHBondContact OD1-CE 3.24Å; D172-K384 IonicContact OD1-NZ 2.9Å; D172-K384 PolarHBondContact OD1-NZ 3.2Å; D172-K384 WeakPolarHBondContact OD2-CE 3.25Å; D172-K384 IonicContact OD2-NZ 2.71Å; D172-K384 PolarHBondContact OD2-NZ 3.33Å; D172-K384 VanDerWaalsContact OD2-NZ 3.08Å; T176-K384 PolarHBondContact OG1-NZ 3.04Å; L380-K384 PolarHBondContact O-N 3.47Å; L380-K384 VanDerWaalsContact O-N 3.14Å; P381-K384 PolarHBondContact O-N 3.33Å
385	Y	86.2	Confident	77.5	Confident	20 Å²	20	41.9 Å²	41.9	8%	0.078	22%	0.222	C	C	.	.	S	Bend	trans	-124.4	110.1	177.9	-69.3	-83.1	0	0	0	110	D172 T176 F302 P381 G382 E389 Q390 M393	D172-Y385 PolarHBondContact OD2-OH 2.99Å; T176-Y385 HydrophobicContact CG2-CD2 3.7Å; T176-Y385 HydrophobicContact CG2-CE2 3.73Å; T176-Y385 WeakPolarHBondContact OG1-CE2 3.46Å; F302-Y385 HydrophobicContact CE1-CD2 4.33Å; F302-Y385 HydrophobicContact CE1-CE2 4.48Å; F302-Y385 AromaticContact CE2-CD1 3.9Å; F302-Y385 HydrophobicContact CE2-CD1 3.9Å; F302-Y385 HydrophobicContact CE2-CD2 4.2Å; F302-Y385 HydrophobicContact CE2-CE1 4.45Å; F302-Y385 AromaticContact CE2-CG 3.71Å; F302-Y385 HydrophobicContact CE2-CG 3.71Å; F302-Y385 AromaticContact CZ-CD1 3.8Å; F302-Y385 HydrophobicContact CZ-CD1 3.8Å; F302-Y385 AromaticContact CZ-CD2 3.5Å; F302-Y385 HydrophobicContact CZ-CD2 3.5Å; F302-Y385 VanDerWaalsContact CZ-CD2 3.5Å; F302-Y385 HydrophobicContact CZ-CE1 4.04Å; F302-Y385 AromaticContact CZ-CE2 3.77Å; F302-Y385 HydrophobicContact CZ-CE2 3.77Å; F302-Y385 AromaticContact CZ-CG 3.47Å; F302-Y385 HydrophobicContact CZ-CG 3.47Å; F302-Y385 VanDerWaalsContact CZ-CG 3.47Å; F302-Y385 AromaticContact CZ-CZ 3.99Å; P381-Y385 PolarHBondContact O-N 2.92Å; G382-Y385 CarbonylContact C-O 3.59Å; G382-Y385 WeakPolarHBondContact CA-O 3.11Å; G382-Y385 VanDerWaalsContact O-O 3.09Å; Y385-E389 HydrophobicContact CD1-CB 4.43Å; Y385-Q390 PolarHBondContact O-NE2 3.05Å; Y385-M393 HydrophobicContact CD1-CE 3.25Å; Y385-M393 HydrophobicContact CE1-CE 3.17Å; Y385-M393 HydrophobicContact CG-CE 4.22Å
386	S	84.5	Confident	78.4	Confident	25 Å²	25	40 Å²	40	18%	0.175	22%	0.219	C	C	.	.			trans	-59.1	160.1	176.6	66.9	0	0	0	0	111.7	D388 E389 Q390	S386-D388 PolarHBondContact O-N 3.49Å; S386-E389 WeakPolarHBondContact CB-OE2 3.21Å; S386-E389 PolarHBondContact N-OE2 2.89Å; S386-E389 PolarHBondContact O-N 3.42Å; S386-E389 VanDerWaalsContact OG-CG 3.31Å; S386-E389 WeakPolarHBondContact OG-CG 3.4Å; S386-E389 PolarHBondContact OG-N 2.95Å; S386-E389 VanDerWaalsContact OG-N 3.16Å; S386-E389 PolarHBondContact OG-OE2 3.14Å; S386-Q390 WeakPolarHBondContact O-CG 3.28Å; S386-Q390 PolarHBondContact O-N 3.14Å; S386-Q390 PolarHBondContact O-NE2 3.41Å
387	A	85.7	Confident	79.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-30.7	173.8	0	0	0	0	0	112.7	C391 R401 I412 L416 T436	A387-C391 PolarHBondContact O-N 2.71Å; A387-C391 VanDerWaalsContact O-N 3.08Å; A387-C391 PolarHBondContact O-SG 2.67Å; A387-C391 VanDerWaalsContact O-SG 3.38Å; A387-R401 HydrophobicContact CB-CB 3.97Å; A387-R401 HydrophobicContact CB-CG 4.42Å; A387-I412 HydrophobicContact CB-CD1 3.74Å; A387-L416 HydrophobicContact CB-CD1 3.88Å; A387-T436 HydrophobicContact CB-CG2 3.7Å
388	D	82.8	Confident	80.5	Confident	29 Å²	29	40.2 Å²	40.2	16%	0.155	23%	0.225	C	C	.	.	H	α-helix	trans	-69.7	-46.6	176.4	-65.4	-37	0	0	0	110.5	S386 Q390 C391 Q392 N400 R401	S386-D388 PolarHBondContact O-N 3.49Å; D388-Q390 VanDerWaalsContact C-N 3.32Å; D388-Q390 PolarHBondContact O-N 2.04Å; D388-C391 WeakPolarHBondContact O-CB 3.07Å; D388-C391 PolarHBondContact O-N 3.13Å; D388-C391 VanDerWaalsContact O-N 3.12Å; D388-Q392 VanDerWaalsContact O-CG 3.22Å; D388-Q392 WeakPolarHBondContact O-CG 3.37Å; D388-Q392 PolarHBondContact O-N 2.86Å; D388-N400 WeakPolarHBondContact OD1-CB 3.13Å; D388-R401 WeakPolarHBondContact OD1-CB 3.43Å; D388-R401 VanDerWaalsContact OD1-CD 3.31Å; D388-R401 WeakPolarHBondContact OD1-CD 3.3Å; D388-R401 WeakPolarHBondContact OD1-CG 2.95Å; D388-R401 PolarHBondContact OD1-N 3.03Å; D388-R401 IonicContact OD1-NE 3.05Å; D388-R401 PolarHBondContact OD1-NE 2.56Å; D388-R401 IonicContact OD2-CZ 3.17Å; D388-R401 IonicContact OD2-NE 3.48Å; D388-R401 PolarHBondContact OD2-NE 2.89Å; D388-R401 IonicContact OD2-NH2 2.9Å; D388-R401 PolarHBondContact OD2-NH2 2.75Å
389	E	86.3	Confident	81	Confident	76 Å²	76	35.7 Å²	35.7	36%	0.355	19%	0.194	S	C	.	.	H	α-helix	trans	-62.6	-38.1	175.4	-70.6	165.3	119.6	0	0	112.6	Y385 S386 C391 Q392 M393	Y385-E389 HydrophobicContact CD1-CB 4.43Å; S386-E389 WeakPolarHBondContact CB-OE2 3.21Å; S386-E389 PolarHBondContact N-OE2 2.89Å; S386-E389 PolarHBondContact O-N 3.42Å; S386-E389 VanDerWaalsContact OG-CG 3.31Å; S386-E389 WeakPolarHBondContact OG-CG 3.4Å; S386-E389 PolarHBondContact OG-N 2.95Å; S386-E389 VanDerWaalsContact OG-N 3.16Å; S386-E389 PolarHBondContact OG-OE2 3.14Å; E389-C391 VanDerWaalsContact C-N 3.34Å; E389-C391 PolarHBondContact O-N 3.43Å; E389-Q392 PolarHBondContact O-N 2.91Å; E389-M393 WeakPolarHBondContact O-CG 2.97Å; E389-M393 PolarHBondContact O-N 2.02Å
390	Q	89.4	Confident	81.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-45.8	172.6	-70.9	170	56.8	0	0	111	F302 Y385 S386 D388 Q392 M393 V394 L416 L433 T436	F302-Q390 HydrophobicContact CD2-CB 4.38Å; F302-Q390 HydrophobicContact CD2-CG 3.81Å; F302-Q390 HydrophobicContact CE2-CG 4.13Å; Y385-Q390 PolarHBondContact O-NE2 3.05Å; S386-Q390 WeakPolarHBondContact O-CG 3.28Å; S386-Q390 PolarHBondContact O-N 3.14Å; S386-Q390 PolarHBondContact O-NE2 3.41Å; D388-Q390 VanDerWaalsContact C-N 3.32Å; D388-Q390 PolarHBondContact O-N 2.04Å; Q390-Q392 PolarHBondContact O-N 2.74Å; Q390-M393 PolarHBondContact O-N 2.81Å; Q390-V394 WeakPolarHBondContact O-CG2 3.27Å; Q390-V394 PolarHBondContact O-N 2.88Å; Q390-L416 HydrophobicContact CB-CD2 3.47Å; Q390-L416 VanDerWaalsContact CB-CD2 3.47Å; Q390-L433 HydrophobicContact CG-CD1 3.87Å; Q390-L433 HydrophobicContact CG-CG 4.14Å; Q390-L433 VanDerWaalsContact OE1-N 3.09Å; Q390-T436 PolarHBondContact NE2-OG1 2.93Å
391	C	83	Confident	80.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.9	-42.3	173.8	-75.4	0	0	0	0	112.8	A387 D388 E389 M393 V394 H395 C418	A387-C391 PolarHBondContact O-N 2.71Å; A387-C391 VanDerWaalsContact O-N 3.08Å; A387-C391 PolarHBondContact O-SG 2.67Å; A387-C391 VanDerWaalsContact O-SG 3.38Å; D388-C391 WeakPolarHBondContact O-CB 3.07Å; D388-C391 PolarHBondContact O-N 3.13Å; D388-C391 VanDerWaalsContact O-N 3.12Å; E389-C391 VanDerWaalsContact C-N 3.34Å; E389-C391 PolarHBondContact O-N 3.43Å; C391-M393 VanDerWaalsContact C-N 3.35Å; C391-M393 PolarHBondContact O-N 2.82Å; C391-V394 PolarHBondContact O-N 2.84Å; C391-H395 PolarHBondContact O-N 3.09Å; C391-C418 WeakPolarHBondContact CA-SG 3.5Å; C391-C418 HydrophobicContact CB-CB 3.64Å; C391-C418 WeakPolarHBondContact CB-SG 3.48Å; C391-C418 VanDerWaalsContact SG-CA 3.52Å; C391-C418 WeakPolarHBondContact SG-CB 3.36Å; C391-C418 CovalentContact SG-SG 2.03Å; C391-C418 PolarHBondContact SG-SG 3.16Å
392	Q	83	Confident	80.1	Confident	63 Å²	63	36 Å²	36	29%	0.294	19%	0.194	S	C	.	.	H	α-helix	trans	-67.3	-34.2	-177.5	-68.8	167.1	10.7	0	0	112.7	D388 E389 Q390 G396 Y399 N400	D388-Q392 VanDerWaalsContact O-CG 3.22Å; D388-Q392 WeakPolarHBondContact O-CG 3.37Å; D388-Q392 PolarHBondContact O-N 2.86Å; E389-Q392 PolarHBondContact O-N 2.91Å; Q390-Q392 PolarHBondContact O-N 2.74Å; Q392-G396 WeakPolarHBondContact CA-O 3.22Å; Q392-G396 CarbonylContact O-C 3.47Å; Q392-G396 VanDerWaalsContact O-C 3.3Å; Q392-G396 WeakPolarHBondContact O-CA 3.27Å; Q392-G396 PolarHBondContact O-N 3.44Å; Q392-Y399 WeakPolarHBondContact CG-O 3.48Å; Q392-N400 PolarHBondContact NE2-OD1 3.46Å; Q392-N400 VanDerWaalsContact NE2-OD1 3.13Å
393	M	80.7	Confident	78.9	Confident	37 Å²	37	41.4 Å²	41.4	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-67.1	-44.1	176	-72.9	-165.3	-150.3	0	0	112.5	F173 D301 F302 Y385 E389 Q390 C391	F173-M393 HydrophobicContact CD2-SD 4.16Å; F173-M393 HydrophobicContact CE2-SD 4.23Å; D301-M393 HydrophobicContact CB-CB 4.32Å; F302-M393 HydrophobicContact CD2-CE 4.25Å; F302-M393 HydrophobicContact CD2-SD 3.79Å; F302-M393 HydrophobicContact CE2-CE 3.27Å; F302-M393 HydrophobicContact CE2-SD 3.35Å; F302-M393 WeakPolarHBondContact CE2-SD 3.42Å; F302-M393 HydrophobicContact CZ-CE 3.63Å; F302-M393 HydrophobicContact CZ-SD 3.84Å; Y385-M393 HydrophobicContact CD1-CE 3.25Å; Y385-M393 HydrophobicContact CE1-CE 3.17Å; Y385-M393 HydrophobicContact CG-CE 4.22Å; E389-M393 WeakPolarHBondContact O-CG 2.97Å; E389-M393 PolarHBondContact O-N 2.02Å; Q390-M393 PolarHBondContact O-N 2.81Å; C391-M393 VanDerWaalsContact C-N 3.35Å; C391-M393 PolarHBondContact O-N 2.82Å
394	V	71.2	Confident	77.6	Confident	22 Å²	22	42.4 Å²	42.4	13%	0.133	22%	0.224	C	C	.	.	H	α-helix	trans	-75.3	-47	-176.2	-176.9	0	0	0	0	111	D301 Q390 C391	D301-V394 HydrophobicContact CB-CB 4.24Å; D301-V394 HydrophobicContact CB-CG2 3.66Å; Q390-V394 WeakPolarHBondContact O-CG2 3.27Å; Q390-V394 PolarHBondContact O-N 2.88Å; C391-V394 PolarHBondContact O-N 2.84Å
395	H	72.7	Confident	75.9	Confident	27 Å²	27	42 Å²	42	13%	0.125	23%	0.229	C	C	.	.	H	α-helix	trans	-109.1	-16	-166.9	-60.1	-57.9	0	0	0	114.6	C391 Y399 I427 S429	C391-H395 PolarHBondContact O-N 3.09Å; H395-Y399 HydrophobicContact CB-CD1 3.61Å; H395-Y399 HydrophobicContact CB-CD2 3.45Å; H395-Y399 VanDerWaalsContact CB-CD2 3.45Å; H395-Y399 HydrophobicContact CB-CE1 3.99Å; H395-Y399 HydrophobicContact CB-CE2 3.85Å; H395-Y399 HydrophobicContact CB-CG 3.32Å; H395-Y399 WeakPolarHBondContact O-CD2 3.39Å; H395-Y399 WeakPolarHBondContact O-CE2 3.4Å; H395-I427 WeakPolarHBondContact CE1-CG2 3.39Å; H395-S429 PolarHBondContact CD2-OG 3.19Å; H395-S429 PolarHBondContact NE2-OG 2.66Å
396	G	70.1	Confident	73.8	Confident	27 Å²	27	49.2 Å²	49.2	28%	0.278	26%	0.263	S	S	.	.			trans	111.2	164.7	-177.3	0	0	0	0	0	112.6	Q392 D398 Y399	Q392-G396 WeakPolarHBondContact CA-O 3.22Å; Q392-G396 CarbonylContact O-C 3.47Å; Q392-G396 VanDerWaalsContact O-C 3.3Å; Q392-G396 WeakPolarHBondContact O-CA 3.27Å; Q392-G396 PolarHBondContact O-N 3.44Å; G396-D398 PolarHBondContact O-N 3.32Å; G396-Y399 PolarHBondContact O-N 2.69Å; G396-Y399 VanDerWaalsContact O-N 3.08Å
397	S	73.8	Confident	71.8	Confident	89 Å²	89	59.8 Å²	59.8	62%	0.622	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.9	-172.1	49.5	0	0	0	0	115.6	Y399	S397-Y399 VanDerWaalsContact C-N 3.28Å; S397-Y399 PolarHBondContact O-N 2.88Å
398	D	71.3	Confident	70.1	Confident	105 Å²	105	61.1 Å²	61.1	56%	0.561	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.2	-175.4	-53.6	-21.9	0	0	0	113.4	G396 Q420	G396-D398 PolarHBondContact O-N 3.32Å; D398-Q420 HydrophobicContact CB-CG 4.42Å; D398-Q420 WeakPolarHBondContact O-CA 3.27Å
399	Y	73.6	Confident	68.6	Low	36 Å²	36	61.1 Å²	61.1	14%	0.141	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.3	-178.7	-73.6	-101.2	0	0	0	111.1	Q392 H395 G396 S397 C418 G419 Q420 I427	Q392-Y399 WeakPolarHBondContact CG-O 3.48Å; H395-Y399 HydrophobicContact CB-CD1 3.61Å; H395-Y399 HydrophobicContact CB-CD2 3.45Å; H395-Y399 VanDerWaalsContact CB-CD2 3.45Å; H395-Y399 HydrophobicContact CB-CE1 3.99Å; H395-Y399 HydrophobicContact CB-CE2 3.85Å; H395-Y399 HydrophobicContact CB-CG 3.32Å; H395-Y399 WeakPolarHBondContact O-CD2 3.39Å; H395-Y399 WeakPolarHBondContact O-CE2 3.4Å; G396-Y399 PolarHBondContact O-N 2.69Å; G396-Y399 VanDerWaalsContact O-N 3.08Å; S397-Y399 VanDerWaalsContact C-N 3.28Å; S397-Y399 PolarHBondContact O-N 2.88Å; Y399-C418 HydrophobicContact CD1-CB 4.25Å; Y399-G419 WeakPolarHBondContact CA-O 3.34Å; Y399-Q420 HydrophobicContact CD1-CG 3.99Å; Y399-Q420 HydrophobicContact CD2-CG 4.01Å; Y399-Q420 HydrophobicContact CE1-CG 3.86Å; Y399-Q420 HydrophobicContact CE2-CG 3.88Å; Y399-Q420 HydrophobicContact CG-CG 4.06Å; Y399-I427 HydrophobicContact CE1-CD1 3.75Å; Y399-I427 HydrophobicContact CE1-CG1 4.35Å
400	N	78.1	Confident	67	Low	33 Å²	33	64.1 Å²	64.1	18%	0.176	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	169	173.3	-59.4	-57.9	0	0	0	109.5	D388 Q392 C418 G419 N421	D388-N400 WeakPolarHBondContact OD1-CB 3.13Å; Q392-N400 PolarHBondContact NE2-OD1 3.46Å; Q392-N400 VanDerWaalsContact NE2-OD1 3.13Å; N400-C418 CarbonylContact O-C 3.44Å; N400-C418 VanDerWaalsContact O-CA 3.31Å; N400-C418 WeakPolarHBondContact O-CA 3.16Å; N400-G419 PolarHBondContact N-O 2.88Å; N400-G419 PolarHBondContact O-N 2.77Å; N400-G419 VanDerWaalsContact O-O 3.11Å; N400-N421 PolarHBondContact ND2-ND2 2.56Å; N400-N421 PolarHBondContact ND2-OD1 2.8Å; N400-N421 VanDerWaalsContact ND2-OD1 3.1Å
401	R	80.9	Confident	66.1	Low	43 Å²	43	65.5 Å²	65.5	16%	0.162	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	139.5	175	78.3	-158	148.8	168.8	-6.6	110.3	A387 D388 K403 L416 W417	A387-R401 HydrophobicContact CB-CB 3.97Å; A387-R401 HydrophobicContact CB-CG 4.42Å; D388-R401 WeakPolarHBondContact OD1-CB 3.43Å; D388-R401 VanDerWaalsContact OD1-CD 3.31Å; D388-R401 WeakPolarHBondContact OD1-CD 3.3Å; D388-R401 WeakPolarHBondContact OD1-CG 2.95Å; D388-R401 PolarHBondContact OD1-N 3.03Å; D388-R401 IonicContact OD1-NE 3.05Å; D388-R401 PolarHBondContact OD1-NE 2.56Å; D388-R401 IonicContact OD2-CZ 3.17Å; D388-R401 IonicContact OD2-NE 3.48Å; D388-R401 PolarHBondContact OD2-NE 2.89Å; D388-R401 IonicContact OD2-NH2 2.9Å; D388-R401 PolarHBondContact OD2-NH2 2.75Å; R401-K403 HydrophobicContact CG-CG 4.26Å; R401-K403 PolarHBondContact O-N 3.36Å; R401-L416 HydrophobicContact CB-CD1 4.28Å; R401-W417 WeakPolarHBondContact CA-O 2.94Å
402	V	73.4	Confident	66	Low	35 Å²	35	66.8 Å²	66.8	21%	0.212	35%	0.345	C	S	.	.			trans	-76.1	107	171.7	-178.3	0	0	0	0	108.3	T404 W417 I426	V402-T404 HydrophobicContact CG1-CG2 4.01Å; V402-T404 PolarHBondContact O-N 3.37Å; V402-T404 VanDerWaalsContact O-N 3.09Å; V402-W417 HydrophobicContact CB-CB 4.14Å; V402-W417 HydrophobicContact CG2-CB 4.16Å; V402-W417 PolarHBondContact N-O 2.82Å; V402-I426 HydrophobicContact CG1-CD1 4.44Å; V402-I426 HydrophobicContact CG2-CD1 4.4Å; V402-I426 HydrophobicContact CG2-CG1 4.17Å; V402-I426 HydrophobicContact CG2-CG2 4.04Å
403	K	65	Low	66.2	Low	117 Å²	117	63.8 Å²	63.8	51%	0.509	33%	0.331	S	S	.	.			trans	-72.8	99.3	171.7	-65.3	-173.4	-179.7	-171.9	0	108.8	R401 D505	R401-K403 HydrophobicContact CG-CG 4.26Å; R401-K403 PolarHBondContact O-N 3.36Å; K403-D505 IonicContact NZ-OD1 3.32Å; K403-D505 PolarHBondContact NZ-OD1 3Å; K403-D505 IonicContact NZ-OD2 3.48Å; K403-D505 PolarHBondContact NZ-OD2 3.31Å
404	T	53.9	Low	66.3	Low	43 Å²	43	66.5 Å²	66.5	26%	0.264	34%	0.343	S	S	.	.			trans	-86.6	159.8	171.6	58.5	0	0	0	0	109.5	V402 S408	V402-T404 HydrophobicContact CG1-CG2 4.01Å; V402-T404 PolarHBondContact O-N 3.37Å; V402-T404 VanDerWaalsContact O-N 3.09Å; T404-S408 WeakPolarHBondContact CB-OG 3.03Å; T404-S408 PolarHBondContact OG1-OG 3.32Å
405	S	48	Very low	66.8	Low	54 Å²	54	66.5 Å²	66.5	38%	0.378	34%	0.342	S	S	.	.			trans	-51.3	150.3	-179.5	72.6	0	0	0	0	111.6	R407 S408	S405-R407 PolarHBondContact O-N 3.19Å; S405-S408 PolarHBondContact O-N 2.85Å; S405-S408 PolarHBondContact O-OG 3.45Å
406	E	43.2	Very low	67.2	Low	172 Å²	172	65.2 Å²	65.2	80%	0.804	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-49.6	-24.7	-174.4	-70.5	-177.3	159.5	0	0	114.7	S408 T409	E406-S408 VanDerWaalsContact C-N 3.34Å; E406-S408 PolarHBondContact O-N 3.32Å; E406-T409 WeakPolarHBondContact O-CG2 3.3Å; E406-T409 PolarHBondContact O-OG1 2.99Å
407	R	41.6	Very low	67.6	Low	248 Å²	248	69.1 Å²	69.1	94%	0.936	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-72.5	-13.6	177	-70.4	-175.1	176.5	-175.3	-0.9	115.5	S405	S405-R407 PolarHBondContact O-N 3.19Å
408	S	49.8	Very low	67.6	Low	28 Å²	28	64.9 Å²	64.9	20%	0.196	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-114.6	14.5	-179.6	53.4	0	0	0	0	114.1	T404 S405 E406 E410 G411	T404-S408 WeakPolarHBondContact CB-OG 3.03Å; T404-S408 PolarHBondContact OG1-OG 3.32Å; S405-S408 PolarHBondContact O-N 2.85Å; S405-S408 PolarHBondContact O-OG 3.45Å; E406-S408 VanDerWaalsContact C-N 3.34Å; E406-S408 PolarHBondContact O-N 3.32Å; S408-E410 PolarHBondContact O-N 2.8Å; S408-G411 PolarHBondContact O-N 3.11Å
409	T	50.7	Low	67.5	Low	28 Å²	28	60.3 Å²	60.3	17%	0.172	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.6	-179.7	46.5	0	0	0	0	114.2	E406 G411 I412 C438 A439	E406-T409 WeakPolarHBondContact O-CG2 3.3Å; E406-T409 PolarHBondContact O-OG1 2.99Å; T409-G411 PolarHBondContact O-N 3.33Å; T409-I412 WeakPolarHBondContact O-CG2 3.46Å; T409-C438 WeakPolarHBondContact CB-O 3.33Å; T409-C438 WeakPolarHBondContact CG2-O 3.31Å; T409-A439 HydrophobicContact CG2-CB 3.96Å
410	E	53.1	Low	67.4	Low	139 Å²	139	61.6 Å²	61.6	65%	0.65	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-22.3	170.4	-73.1	-178.6	176.7	0	0	113.1	S408 I412 C449	S408-E410 PolarHBondContact O-N 2.8Å; E410-I412 VanDerWaalsContact C-N 3.34Å; E410-I412 PolarHBondContact O-N 3.13Å; E410-C449 HydrophobicContact CB-CB 4.45Å; E410-C449 HydrophobicContact CG-CB 3.99Å
411	G	70	Confident	66.4	Low	30 Å²	30	66.1 Å²	66.1	31%	0.309	32%	0.322	S	S	.	.	H	α-helix	trans	-66.1	-31.3	-174.8	0	0	0	0	0	114.2	S408 T409 H414 M415	S408-G411 PolarHBondContact O-N 3.11Å; T409-G411 PolarHBondContact O-N 3.33Å; G411-H414 PolarHBondContact O-N 3.07Å; G411-M415 PolarHBondContact O-N 3.31Å
412	I	81.8	Confident	65	Low	26 Å²	26	69.1 Å²	69.1	13%	0.133	34%	0.341	C	S	.	.	H	α-helix	trans	-67.6	-37.9	-175.6	-166.6	170.9	0	0	0	112.8	A387 T409 E410 H414 M415 L416 A432 C438	A387-I412 HydrophobicContact CB-CD1 3.74Å; T409-I412 WeakPolarHBondContact O-CG2 3.46Å; E410-I412 VanDerWaalsContact C-N 3.34Å; E410-I412 PolarHBondContact O-N 3.13Å; I412-H414 VanDerWaalsContact C-N 3.28Å; I412-H414 PolarHBondContact O-N 2.83Å; I412-M415 WeakPolarHBondContact CA-O 3.44Å; I412-M415 CarbonylContact O-C 3.53Å; I412-M415 PolarHBondContact O-N 3.4Å; I412-L416 HydrophobicContact CD1-CD1 3.59Å; I412-L416 HydrophobicContact CG1-CD1 3.55Å; I412-L416 PolarHBondContact O-N 2.69Å; I412-A432 HydrophobicContact CG1-CB 4.09Å; I412-A432 VanDerWaalsContact O-CB 3.27Å; I412-A432 WeakPolarHBondContact O-CB 3.02Å; I412-A432 PolarHBondContact O-N 3.02Å; I412-C438 HydrophobicContact CG2-CB 3.41Å; I412-C438 VanDerWaalsContact CG2-CB 3.41Å
413	C	86.9	Confident	63.6	Low	0 Å²	0	77 Å²	77	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-71	-28.3	179.1	-52.7	0	0	0	0	112	C438 C444 G447	C413-C438 VanDerWaalsContact SG-CB 3.55Å; C413-C444 WeakPolarHBondContact CA-SG 3Å; C413-C444 HydrophobicContact CB-CB 3.63Å; C413-C444 WeakPolarHBondContact CB-SG 3.37Å; C413-C444 WeakPolarHBondContact SG-CA 3.23Å; C413-C444 WeakPolarHBondContact SG-CB 3.28Å; C413-C444 CovalentContact SG-SG 2.04Å; C413-C444 PolarHBondContact SG-SG 3.34Å; C413-G447 CarbonylContact C-O 3.53Å; C413-G447 VanDerWaalsContact CB-C 3.43Å; C413-G447 VanDerWaalsContact CB-O 3.3Å; C413-G447 WeakPolarHBondContact CB-O 3.32Å
414	H	82.9	Confident	62.7	Low	95 Å²	95	72.7 Å²	72.7	44%	0.44	36%	0.356	S	S	.	.	H	α-helix	trans	-80.1	-37.8	172.8	-174.7	-99.6	0	0	0	111.6	A337 G338 G411 I412	A337-H414 CarbonylContact C-O 3.45Å; A337-H414 WeakPolarHBondContact CA-O 3.38Å; A337-H414 WeakPolarHBondContact CB-CE1 3.47Å; A337-H414 WeakPolarHBondContact CB-ND1 3.03Å; G338-H414 WeakPolarHBondContact CA-CD2 3.24Å; G338-H414 WeakPolarHBondContact CA-NE2 3.37Å; G338-H414 PolarHBondContact N-O 3.3Å; G411-H414 PolarHBondContact O-N 3.07Å; I412-H414 VanDerWaalsContact C-N 3.28Å; I412-H414 PolarHBondContact O-N 2.83Å
415	M	81.9	Confident	62.6	Low	21 Å²	21	79.8 Å²	79.8	10%	0.103	38%	0.378	C	S	.	.			trans	-159.3	124.8	176	-169.9	70	115.6	0	0	110.8	A337 G411 I412 W417 T428	A337-M415 HydrophobicContact CB-CB 3.95Å; A337-M415 HydrophobicContact CB-CE 3.85Å; A337-M415 HydrophobicContact CB-CG 4.36Å; A337-M415 HydrophobicContact CB-SD 4.19Å; G411-M415 PolarHBondContact O-N 3.31Å; I412-M415 WeakPolarHBondContact CA-O 3.44Å; I412-M415 CarbonylContact O-C 3.53Å; I412-M415 PolarHBondContact O-N 3.4Å; M415-W417 PolarHBondContact O-N 3.14Å; M415-W417 PolarHBondContact O-NE1 3.33Å; M415-T428 HydrophobicContact CE-CG2 4.09Å; M415-T428 HydrophobicContact CG-CG2 3.85Å
416	L	81	Confident	63.2	Low	0 Å²	0	81.3 Å²	81.3	0%	0	38%	0.381	C	S	.	.			trans	-74.4	124.4	172.5	-178.8	62.3	0	0	0	110.2	A387 Q390 R401 I412 S429 H430 A432	A387-L416 HydrophobicContact CB-CD1 3.88Å; Q390-L416 HydrophobicContact CB-CD2 3.47Å; Q390-L416 VanDerWaalsContact CB-CD2 3.47Å; R401-L416 HydrophobicContact CB-CD1 4.28Å; I412-L416 HydrophobicContact CD1-CD1 3.59Å; I412-L416 HydrophobicContact CG1-CD1 3.55Å; I412-L416 PolarHBondContact O-N 2.69Å; L416-S429 PolarHBondContact O-N 3.11Å; L416-H430 VanDerWaalsContact CB-O 3.23Å; L416-H430 WeakPolarHBondContact CB-O 3.31Å; L416-H430 PolarHBondContact N-O 3.09Å; L416-A432 HydrophobicContact CB-CB 4.5Å
417	W	78.4	Confident	64	Low	109 Å²	109	75 Å²	75	41%	0.413	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.4	176	-61.5	85.4	0	0	0	109.5	R401 V402 M415 I426 T428	R401-W417 WeakPolarHBondContact CA-O 2.94Å; V402-W417 HydrophobicContact CB-CB 4.14Å; V402-W417 HydrophobicContact CG2-CB 4.16Å; V402-W417 PolarHBondContact N-O 2.82Å; M415-W417 PolarHBondContact O-N 3.14Å; M415-W417 PolarHBondContact O-NE1 3.33Å; W417-I426 HydrophobicContact CB-CG2 4.38Å; W417-I426 HydrophobicContact CE3-CG2 3.7Å; W417-I426 HydrophobicContact CZ3-CG2 4.44Å; W417-T428 HydrophobicContact CD2-CG2 3.95Å; W417-T428 HydrophobicContact CE3-CG2 3.48Å; W417-T428 VanDerWaalsContact CE3-CG2 3.48Å; W417-T428 HydrophobicContact CH2-CG2 3.51Å; W417-T428 HydrophobicContact CZ2-CG2 3.94Å; W417-T428 HydrophobicContact CZ3-CG2 3.26Å
418	C	74.5	Confident	65.1	Low	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.4	-176.2	-57.1	0	0	0	0	110.5	C391 Y399 N400 I426 I427 S429	C391-C418 WeakPolarHBondContact CA-SG 3.5Å; C391-C418 HydrophobicContact CB-CB 3.64Å; C391-C418 WeakPolarHBondContact CB-SG 3.48Å; C391-C418 VanDerWaalsContact SG-CA 3.52Å; C391-C418 WeakPolarHBondContact SG-CB 3.36Å; C391-C418 CovalentContact SG-SG 2.03Å; C391-C418 PolarHBondContact SG-SG 3.16Å; Y399-C418 HydrophobicContact CD1-CB 4.25Å; N400-C418 CarbonylContact O-C 3.44Å; N400-C418 VanDerWaalsContact O-CA 3.31Å; N400-C418 WeakPolarHBondContact O-CA 3.16Å; C418-I426 WeakPolarHBondContact O-CA 3.28Å; C418-I427 PolarHBondContact N-O 3.11Å; C418-I427 PolarHBondContact O-N 3.05Å; C418-S429 PolarHBondContact SG-OG 2.81Å
419	G	68.9	Low	65.9	Low	10 Å²	10	65.6 Å²	65.6	10%	0.103	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158.8	179.2	0	0	0	0	0	111.1	Y399 N400	Y399-G419 WeakPolarHBondContact CA-O 3.34Å; N400-G419 PolarHBondContact N-O 2.88Å; N400-G419 PolarHBondContact O-N 2.77Å; N400-G419 VanDerWaalsContact O-O 3.11Å
420	Q	71.3	Confident	67.4	Low	63 Å²	63	64.6 Å²	64.6	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	144	174.1	-54.8	175.1	-63.3	0	0	109.6	D398 Y399 N422	D398-Q420 HydrophobicContact CB-CG 4.42Å; D398-Q420 WeakPolarHBondContact O-CA 3.27Å; Y399-Q420 HydrophobicContact CD1-CG 3.99Å; Y399-Q420 HydrophobicContact CD2-CG 4.01Å; Y399-Q420 HydrophobicContact CE1-CG 3.86Å; Y399-Q420 HydrophobicContact CE2-CG 3.88Å; Y399-Q420 HydrophobicContact CG-CG 4.06Å; Q420-N422 PolarHBondContact O-N 3.35Å
421	N	57.5	Low	69.1	Low	128 Å²	128	58.2 Å²	58.2	68%	0.684	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.2	-178	-63.7	-8.5	0	0	0	112.7	N400	N400-N421 PolarHBondContact ND2-ND2 2.56Å; N400-N421 PolarHBondContact ND2-OD1 2.8Å; N400-N421 VanDerWaalsContact ND2-OD1 3.1Å
422	N	50.9	Low	70	Confident	106 Å²	106	56.9 Å²	56.9	57%	0.567	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	76.6	-178.3	-65.9	-14.2	0	0	0	110.2	Q420 G424	Q420-N422 PolarHBondContact O-N 3.35Å; N422-G424 PolarHBondContact O-N 3.43Å
423	W	45	Very low	70.6	Confident	200 Å²	200	55.7 Å²	55.7	76%	0.758	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	65.9	171.8	-119	-53.3	0	0	0	113.5	K568	W423-K568 VanDerWaalsContact CE3-NZ 3.29Å
424	G	44.9	Very low	70.7	Confident	26 Å²	26	56.5 Å²	56.5	27%	0.268	27%	0.27	S	S	.	.			trans	-107.1	163.2	178.4	0	0	0	0	0	114	N422 I426	N422-G424 PolarHBondContact O-N 3.43Å; G424-I426 PolarHBondContact O-N 2.87Å
425	R	52.6	Low	71	Confident	192 Å²	192	52 Å²	52	73%	0.725	25%	0.249	S	C	*	.			trans	-59	123.3	167	-172.9	-179.7	-178.4	178.8	-0.5	108.4	I427	R425-I427 HydrophobicContact CB-CD1 4.41Å; R425-I427 HydrophobicContact CB-CG1 4.18Å; R425-I427 HydrophobicContact CG-CD1 4.25Å; R425-I427 HydrophobicContact CG-CG1 3.75Å
426	I	59.3	Low	71.3	Confident	86 Å²	86	51 Å²	51	44%	0.441	24%	0.244	S	C	.	.			trans	-73.8	125.2	165.9	-62.7	174.8	0	0	0	107.3	V402 W417 C418 G424	V402-I426 HydrophobicContact CG1-CD1 4.44Å; V402-I426 HydrophobicContact CG2-CD1 4.4Å; V402-I426 HydrophobicContact CG2-CG1 4.17Å; V402-I426 HydrophobicContact CG2-CG2 4.04Å; W417-I426 HydrophobicContact CB-CG2 4.38Å; W417-I426 HydrophobicContact CE3-CG2 3.7Å; W417-I426 HydrophobicContact CZ3-CG2 4.44Å; C418-I426 WeakPolarHBondContact O-CA 3.28Å; G424-I426 PolarHBondContact O-N 2.87Å
427	I	61.4	Low	71.4	Confident	41 Å²	41	51.7 Å²	51.7	21%	0.21	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.2	-177.4	-50.8	173.9	0	0	0	108.3	H395 Y399 C418 R425	H395-I427 WeakPolarHBondContact CE1-CG2 3.39Å; Y399-I427 HydrophobicContact CE1-CD1 3.75Å; Y399-I427 HydrophobicContact CE1-CG1 4.35Å; C418-I427 PolarHBondContact N-O 3.11Å; C418-I427 PolarHBondContact O-N 3.05Å; R425-I427 HydrophobicContact CB-CD1 4.41Å; R425-I427 HydrophobicContact CB-CG1 4.18Å; R425-I427 HydrophobicContact CG-CD1 4.25Å; R425-I427 HydrophobicContact CG-CG1 3.75Å
428	T	63.4	Low	71.6	Confident	56 Å²	56	47 Å²	47	34%	0.344	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.9	170.4	53.1	0	0	0	0	110.2	M415 W417	M415-T428 HydrophobicContact CE-CG2 4.09Å; M415-T428 HydrophobicContact CG-CG2 3.85Å; W417-T428 HydrophobicContact CD2-CG2 3.95Å; W417-T428 HydrophobicContact CE3-CG2 3.48Å; W417-T428 VanDerWaalsContact CE3-CG2 3.48Å; W417-T428 HydrophobicContact CH2-CG2 3.51Å; W417-T428 HydrophobicContact CZ2-CG2 3.94Å; W417-T428 HydrophobicContact CZ3-CG2 3.26Å
429	S	67.4	Low	71.6	Confident	21 Å²	21	48.3 Å²	48.3	15%	0.147	24%	0.243	C	C	.	.			trans	-102.1	-102.8	170.8	-46.2	0	0	0	0	109.9	H395 L416 C418	H395-S429 PolarHBondContact CD2-OG 3.19Å; H395-S429 PolarHBondContact NE2-OG 2.66Å; L416-S429 PolarHBondContact O-N 3.11Å; C418-S429 PolarHBondContact SG-OG 2.81Å
430	H	82.7	Confident	71.8	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.037	27%	0.274	C	S	.	.	S	Bend	trans	-133.4	170.5	179.6	52.3	71.8	0	0	0	108.7	F302 S303 Y306 L416 A432	F302-H430 WeakPolarHBondContact CB-NE2 3.34Å; S303-H430 PolarHBondContact N-CD2 2.88Å; Y306-H430 HydrophobicContact CD2-CB 3.75Å; Y306-H430 HydrophobicContact CE2-CB 3.62Å; Y306-H430 AromaticContact CE2-CG 3.85Å; Y306-H430 AromaticContact CE2-ND1 3.77Å; L416-H430 VanDerWaalsContact CB-O 3.23Å; L416-H430 WeakPolarHBondContact CB-O 3.31Å; L416-H430 PolarHBondContact N-O 3.09Å; H430-A432 PolarHBondContact O-N 2.01Å
431	P	88	Confident	71.9	Confident	4 Å²	4	51.6 Å²	51.6	3%	0.026	29%	0.285	C	S	.	.	S	Bend	trans	-55.1	137.7	167.8	-17.8	28.5	0	0	0	110	Y306 V340	Y306-P431 HydrophobicContact CE1-CB 4.28Å; Y306-P431 HydrophobicContact CE1-CG 4.04Å; Y306-P431 HydrophobicContact CE2-CG 4.49Å; Y306-P431 WeakPolarHBondContact CE2-O 3.31Å; Y306-P431 WeakPolarHBondContact OH-CB 3.24Å; Y306-P431 PolarHBondContact OH-O 2.91Å; V340-P431 HydrophobicContact CG1-CB 3.92Å; V340-P431 HydrophobicContact CG1-CG 4.19Å
432	A	90.1	Very high	73.1	Confident	3 Å²	3	49.4 Å²	49.4	3%	0.025	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-59.2	146.6	-177.2	0	0	0	0	0	111.4	I412 L416 H430 T436	I412-A432 HydrophobicContact CG1-CB 4.09Å; I412-A432 VanDerWaalsContact O-CB 3.27Å; I412-A432 WeakPolarHBondContact O-CB 3.02Å; I412-A432 PolarHBondContact O-N 3.02Å; L416-A432 HydrophobicContact CB-CB 4.5Å; H430-A432 PolarHBondContact O-N 2.01Å; A432-T436 HydrophobicContact CB-CG2 4.07Å
433	L	92.7	Very high	74.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-57.7	145.5	-179.9	-62.1	177.1	0	0	0	111.7	H180 F302 V305 P381 Q390 G435 T436	H180-L433 WeakPolarHBondContact ND1-CD2 3.05Å; F302-L433 HydrophobicContact CB-CD2 4.15Å; F302-L433 HydrophobicContact CD1-CD1 3.97Å; F302-L433 HydrophobicContact CD1-CD2 4.23Å; F302-L433 HydrophobicContact CD2-CD1 3.92Å; F302-L433 HydrophobicContact CE1-CD1 4.07Å; F302-L433 HydrophobicContact CE2-CD1 3.97Å; F302-L433 HydrophobicContact CG-CD1 3.91Å; F302-L433 HydrophobicContact CG-CD2 4.21Å; F302-L433 HydrophobicContact CG-CG 4.46Å; F302-L433 HydrophobicContact CZ-CD1 4.08Å; V305-L433 HydrophobicContact CG2-CD2 4.26Å; P381-L433 HydrophobicContact CB-CB 4.13Å; P381-L433 HydrophobicContact CB-CD1 4.12Å; Q390-L433 HydrophobicContact CG-CD1 3.87Å; Q390-L433 HydrophobicContact CG-CG 4.14Å; Q390-L433 VanDerWaalsContact OE1-N 3.09Å; L433-G435 PolarHBondContact O-N 3.03Å; L433-T436 VanDerWaalsContact O-CB 3.24Å; L433-T436 WeakPolarHBondContact O-CB 3.25Å; L433-T436 PolarHBondContact O-N 3.09Å; L433-T436 PolarHBondContact O-OG1 2.64Å
434	E	90.7	Very high	76.8	Confident	17 Å²	17	35.3 Å²	35.3	8%	0.079	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.6	175.2	-75.2	-77.5	121.8	0	0	110.6	H180 I183 L380 G382 R445 G446	H180-E434 VanDerWaalsContact NE2-CG 3.31Å; H180-E434 WeakPolarHBondContact NE2-CG 3.42Å; H180-E434 PolarHBondContact NE2-N 2.92Å; I183-E434 HydrophobicContact CD1-CB 4.18Å; I183-E434 HydrophobicContact CG2-CB 4.33Å; I183-E434 HydrophobicContact CG2-CG 3.84Å; L380-E434 WeakPolarHBondContact CB-O 3.32Å; G382-E434 WeakPolarHBondContact CA-O 2.9Å; G382-E434 PolarHBondContact N-O 2.87Å; E434-R445 VanDerWaalsContact OE1-CA 3.3Å; E434-R445 WeakPolarHBondContact OE1-CA 3.43Å; E434-R445 VanDerWaalsContact OE2-CA 3.28Å; E434-R445 WeakPolarHBondContact OE2-CA 3.27Å; E434-R445 WeakPolarHBondContact OE2-CD 3.46Å; E434-G446 PolarHBondContact OE1-N 3.08Å; E434-G446 PolarHBondContact OE2-N 2.62Å
435	G	88	Confident	78.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	1.7	-173.2	0	0	0	0	0	115.4	G382 Q383 L433 Y443 C444	G382-G435 CarbonylContact C-O 3.55Å; Q383-G435 VanDerWaalsContact CG-O 3.27Å; Q383-G435 WeakPolarHBondContact CG-O 3.34Å; L433-G435 PolarHBondContact O-N 3.03Å; G435-Y443 WeakPolarHBondContact O-CD1 3.48Å; G435-C444 PolarHBondContact N-O 3.15Å
436	T	88.6	Confident	80.5	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	19%	0.189	C	C	.	.			trans	-67.2	134.9	173.4	-67.7	0	0	0	0	111.5	G382 A387 Q390 A432 L433 C438 Y443 C444	G382-T436 WeakPolarHBondContact CA-OG1 3.44Å; G382-T436 WeakPolarHBondContact O-CA 3.31Å; A387-T436 HydrophobicContact CB-CG2 3.7Å; Q390-T436 PolarHBondContact NE2-OG1 2.93Å; A432-T436 HydrophobicContact CB-CG2 4.07Å; L433-T436 VanDerWaalsContact O-CB 3.24Å; L433-T436 WeakPolarHBondContact O-CB 3.25Å; L433-T436 PolarHBondContact O-N 3.09Å; L433-T436 PolarHBondContact O-OG1 2.64Å; T436-C438 PolarHBondContact O-N 3.32Å; T436-Y443 CarbonylContact O-C 3.6Å; T436-Y443 VanDerWaalsContact O-CA 3.24Å; T436-Y443 WeakPolarHBondContact O-CA 3.38Å; T436-C444 PolarHBondContact O-N 3.32Å
437	T	83	Confident	81.7	Confident	15 Å²	15	26.6 Å²	26.6	9%	0.092	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	121.7	175.7	52.5	0	0	0	0	110.7	Y443 N501	T437-Y443 HydrophobicContact CG2-CD1 3.64Å; T437-Y443 HydrophobicContact CG2-CE1 3.35Å; T437-N501 VanDerWaalsContact CG2-C 3.47Å
438	C	82	Confident	82.9	Confident	12 Å²	12	31.4 Å²	31.4	8%	0.081	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	-30	-177.3	56.6	0	0	0	0	112.5	T409 I412 C413 T436 K442 Y443 C449	T409-C438 WeakPolarHBondContact CB-O 3.33Å; T409-C438 WeakPolarHBondContact CG2-O 3.31Å; I412-C438 HydrophobicContact CG2-CB 3.41Å; I412-C438 VanDerWaalsContact CG2-CB 3.41Å; C413-C438 VanDerWaalsContact SG-CB 3.55Å; T436-C438 PolarHBondContact O-N 3.32Å; C438-K442 PolarHBondContact N-O 3.08Å; C438-K442 PolarHBondContact SG-O 2.79Å; C438-K442 VanDerWaalsContact SG-O 3.32Å; C438-Y443 VanDerWaalsContact SG-CA 3.57Å; C438-Y443 PolarHBondContact SG-N 3.07Å; C438-Y443 VanDerWaalsContact SG-N 3.38Å; C438-C449 HydrophobicContact CB-CB 3.69Å; C438-C449 WeakPolarHBondContact CB-SG 3.31Å; C438-C449 WeakPolarHBondContact SG-CA 3.36Å; C438-C449 WeakPolarHBondContact SG-CB 3.3Å; C438-C449 CovalentContact SG-SG 2.01Å; C438-C449 PolarHBondContact SG-SG 3.37Å
439	A	75.4	Confident	84.1	Confident	26 Å²	26	29.1 Å²	29.1	22%	0.215	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	173.5	168.3	0	0	0	0	0	109.4	T409 G441 K442	T409-A439 HydrophobicContact CG2-CB 3.96Å; A439-G441 PolarHBondContact O-N 3.24Å; A439-G441 VanDerWaalsContact O-N 3.1Å; A439-K442 HydrophobicContact CB-CB 4.06Å; A439-K442 HydrophobicContact CB-CD 4.09Å; A439-K442 HydrophobicContact CB-CG 4.25Å; A439-K442 PolarHBondContact N-O 2.79Å; A439-K442 PolarHBondContact O-N 2.95Å; A439-K442 VanDerWaalsContact O-O 3.06Å
440	A	72.1	Confident	84.9	Confident	92 Å²	92	31.5 Å²	31.5	76%	0.76	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	119	173.5	0	0	0	0	0	110.6	K442	A440-K442 PolarHBondContact O-N 2.88Å
441	G	73.6	Confident	84.8	Confident	51 Å²	51	34.7 Å²	34.7	53%	0.526	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	10.1	-177.2	0	0	0	0	0	116.1	A439 D452	A439-G441 PolarHBondContact O-N 3.24Å; A439-G441 VanDerWaalsContact O-N 3.1Å; G441-D452 PolarHBondContact O-N 3.34Å
442	K	82.9	Confident	83.8	Confident	81 Å²	81	36.1 Å²	36.1	35%	0.352	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	145.7	179.7	-55.3	-173.1	-173.2	174.5	0	111.9	C438 A439 A440 C449 I450 P451	C438-K442 PolarHBondContact N-O 3.08Å; C438-K442 PolarHBondContact SG-O 2.79Å; C438-K442 VanDerWaalsContact SG-O 3.32Å; A439-K442 HydrophobicContact CB-CB 4.06Å; A439-K442 HydrophobicContact CB-CD 4.09Å; A439-K442 HydrophobicContact CB-CG 4.25Å; A439-K442 PolarHBondContact N-O 2.79Å; A439-K442 PolarHBondContact O-N 2.95Å; A439-K442 VanDerWaalsContact O-O 3.06Å; A440-K442 PolarHBondContact O-N 2.88Å; K442-C449 VanDerWaalsContact CB-SG 3.55Å; K442-I450 CarbonylContact C-O 3.57Å; K442-I450 VanDerWaalsContact CA-O 3.31Å; K442-I450 WeakPolarHBondContact CA-O 3.5Å; K442-P451 HydrophobicContact CG-CG 4.37Å
443	Y	85.7	Confident	82.7	Confident	11 Å²	11	47.4 Å²	47.4	4%	0.043	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	155.3	-174.7	-53.8	-101	0	0	0	111	G435 T436 T437 C438 R445 I450 D452	G435-Y443 WeakPolarHBondContact O-CD1 3.48Å; T436-Y443 CarbonylContact O-C 3.6Å; T436-Y443 VanDerWaalsContact O-CA 3.24Å; T436-Y443 WeakPolarHBondContact O-CA 3.38Å; T437-Y443 HydrophobicContact CG2-CD1 3.64Å; T437-Y443 HydrophobicContact CG2-CE1 3.35Å; C438-Y443 VanDerWaalsContact SG-CA 3.57Å; C438-Y443 PolarHBondContact SG-N 3.07Å; C438-Y443 VanDerWaalsContact SG-N 3.38Å; Y443-R445 PolarHBondContact O-N 3.24Å; Y443-I450 PolarHBondContact N-O 2.9Å; Y443-I450 PolarHBondContact O-N 3.13Å; Y443-D452 HydrophobicContact CD2-CB 3.58Å; Y443-D452 HydrophobicContact CE2-CB 3.58Å
444	C	89.1	Confident	81.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	121	176.7	-64.7	0	0	0	0	111.1	C413 G435 T436 K448	C413-C444 WeakPolarHBondContact CA-SG 3Å; C413-C444 HydrophobicContact CB-CB 3.63Å; C413-C444 WeakPolarHBondContact CB-SG 3.37Å; C413-C444 WeakPolarHBondContact SG-CA 3.23Å; C413-C444 WeakPolarHBondContact SG-CB 3.28Å; C413-C444 CovalentContact SG-SG 2.04Å; C413-C444 PolarHBondContact SG-SG 3.34Å; G435-C444 PolarHBondContact N-O 3.15Å; T436-C444 PolarHBondContact O-N 3.32Å; C444-K448 CarbonylContact C-O 3.54Å; C444-K448 WeakPolarHBondContact CA-O 3.01Å
445	R	88.2	Confident	79.6	Confident	85 Å²	85	58.5 Å²	58.5	32%	0.321	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	126.9	172.1	-55.8	-66.7	-97.3	-93.2	1.9	111.1	L380 E434 Y443 G447 K448 I450 D452	L380-R445 VanDerWaalsContact CD1-CZ 3.48Å; L380-R445 VanDerWaalsContact CD1-NH1 3.27Å; E434-R445 VanDerWaalsContact OE1-CA 3.3Å; E434-R445 WeakPolarHBondContact OE1-CA 3.43Å; E434-R445 VanDerWaalsContact OE2-CA 3.28Å; E434-R445 WeakPolarHBondContact OE2-CA 3.27Å; E434-R445 WeakPolarHBondContact OE2-CD 3.46Å; Y443-R445 PolarHBondContact O-N 3.24Å; R445-G447 PolarHBondContact O-N 3.02Å; R445-K448 PolarHBondContact N-O 3.46Å; R445-K448 PolarHBondContact O-N 3.09Å; R445-I450 HydrophobicContact CB-CD1 3.5Å; R445-I450 VanDerWaalsContact CB-CD1 3.5Å; R445-I450 HydrophobicContact CB-CG1 3.75Å; R445-I450 HydrophobicContact CG-CD1 3.76Å; R445-I450 HydrophobicContact CG-CG1 3.79Å; R445-D452 IonicContact NH1-OD1 3.25Å
446	G	85.5	Confident	78.1	Confident	26 Å²	26	65.5 Å²	65.5	27%	0.268	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	39.5	-175.3	0	0	0	0	0	112.1	H341 E434 K448	H341-G446 PolarHBondContact NE2-O 2.66Å; E434-G446 PolarHBondContact OE1-N 3.08Å; E434-G446 PolarHBondContact OE2-N 2.62Å; G446-K448 PolarHBondContact O-N 2.53Å
447	G	85.9	Confident	76.8	Confident	10 Å²	10	69 Å²	69	10%	0.103	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.8	9.6	-178.4	0	0	0	0	0	115.7	C413 R445	C413-G447 CarbonylContact C-O 3.53Å; C413-G447 VanDerWaalsContact CB-C 3.43Å; C413-G447 VanDerWaalsContact CB-O 3.3Å; C413-G447 WeakPolarHBondContact CB-O 3.32Å; R445-G447 PolarHBondContact O-N 3.02Å
448	K	86.8	Confident	75.7	Confident	142 Å²	142	69 Å²	69	62%	0.617	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.3	178.6	-64.1	-179.7	-177.3	177.1	0	111.6	C444 R445 G446 I450	C444-K448 CarbonylContact C-O 3.54Å; C444-K448 WeakPolarHBondContact CA-O 3.01Å; R445-K448 PolarHBondContact N-O 3.46Å; R445-K448 PolarHBondContact O-N 3.09Å; G446-K448 PolarHBondContact O-N 2.53Å; K448-I450 HydrophobicContact CB-CG2 3.99Å; K448-I450 PolarHBondContact O-N 3.47Å
449	C	86.7	Confident	75.1	Confident	8 Å²	8	76.9 Å²	76.9	5%	0.054	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	98.9	174.7	-176.1	0	0	0	0	110.4	E410 C438 K442	E410-C449 HydrophobicContact CB-CB 4.45Å; E410-C449 HydrophobicContact CG-CB 3.99Å; C438-C449 HydrophobicContact CB-CB 3.69Å; C438-C449 WeakPolarHBondContact CB-SG 3.31Å; C438-C449 WeakPolarHBondContact SG-CA 3.36Å; C438-C449 WeakPolarHBondContact SG-CB 3.3Å; C438-C449 CovalentContact SG-SG 2.01Å; C438-C449 PolarHBondContact SG-SG 3.37Å; K442-C449 VanDerWaalsContact CB-SG 3.55Å
450	I	84.6	Confident	74.9	Confident	70 Å²	70	79.4 Å²	79.4	36%	0.359	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.5	-175	68.9	170.4	0	0	0	111.8	K442 Y443 R445 K448	K442-I450 CarbonylContact C-O 3.57Å; K442-I450 VanDerWaalsContact CA-O 3.31Å; K442-I450 WeakPolarHBondContact CA-O 3.5Å; Y443-I450 PolarHBondContact N-O 2.9Å; Y443-I450 PolarHBondContact O-N 3.13Å; R445-I450 HydrophobicContact CB-CD1 3.5Å; R445-I450 VanDerWaalsContact CB-CD1 3.5Å; R445-I450 HydrophobicContact CB-CG1 3.75Å; R445-I450 HydrophobicContact CG-CD1 3.76Å; R445-I450 HydrophobicContact CG-CG1 3.79Å; K448-I450 HydrophobicContact CB-CG2 3.99Å; K448-I450 PolarHBondContact O-N 3.47Å
451	P	82.2	Confident	75	Confident	75 Å²	75	76.8 Å²	76.8	49%	0.487	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	140.2	171.5	-22.2	33.2	0	0	0	111.5	K442 R453	K442-P451 HydrophobicContact CG-CG 4.37Å; P451-R453 PolarHBondContact O-N 2.92Å
452	D	66.9	Low	75.4	Confident	35 Å²	35	79.1 Å²	79.1	19%	0.187	39%	0.394	C	S	.	.			trans	-66.6	127.8	176.2	-160.4	2.1	0	0	0	110.8	G441 Y443 R445 S454 P457	G441-D452 PolarHBondContact O-N 3.34Å; Y443-D452 HydrophobicContact CD2-CB 3.58Å; Y443-D452 HydrophobicContact CE2-CB 3.58Å; R445-D452 IonicContact NH1-OD1 3.25Å; D452-S454 WeakPolarHBondContact OD1-CB 3.39Å; D452-S454 PolarHBondContact OD1-N 2.98Å; D452-S454 PolarHBondContact OD1-OG 3.43Å; D452-S454 VanDerWaalsContact OD1-OG 3.14Å; D452-S454 PolarHBondContact OD2-OG 3.5Å; D452-P457 WeakPolarHBondContact OD2-CB 3.48Å
453	R	66.4	Low	75.3	Confident	239 Å²	239	75.9 Å²	75.9	90%	0.902	38%	0.384	S	S	*	.			trans	-111.3	8.9	171.5	-62	-175	-178.9	-176.1	-0.2	111.6	P451	P451-R453 PolarHBondContact O-N 2.92Å
454	S	61	Low	75.5	Confident	44 Å²	44	77.4 Å²	77.4	31%	0.308	40%	0.398	S	S	.	.			trans	-65	143.8	175.4	81.4	0	0	0	0	110.1	D452 N456	D452-S454 WeakPolarHBondContact OD1-CB 3.39Å; D452-S454 PolarHBondContact OD1-N 2.98Å; D452-S454 PolarHBondContact OD1-OG 3.43Å; D452-S454 VanDerWaalsContact OD1-OG 3.14Å; D452-S454 PolarHBondContact OD2-OG 3.5Å; S454-N456 PolarHBondContact O-N 2.87Å; S454-N456 PolarHBondContact OG-O 2.77Å
455	K	56.7	Low	75.5	Confident	206 Å²	206	80 Å²	80	90%	0.896	41%	0.408	S	S	*	.	S	Bend	trans	-66.8	-22.9	178.9	-70.9	-175.4	177.7	-178.5	0	112.5
456	N	57.1	Low	75.6	Confident	148 Å²	148	77.2 Å²	77.2	79%	0.791	40%	0.402	S	S	*	.	S	Bend	trans	-132.1	79	-178.7	-69.8	-15.2	0	0	0	109.6	S454	S454-N456 PolarHBondContact O-N 2.87Å; S454-N456 PolarHBondContact OG-O 2.77Å
457	P	60.9	Low	75.8	Confident	74 Å²	74	80.9 Å²	80.9	48%	0.481	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-62.5	143.9	174	26.5	-33.4	0	0	0	110	D452	D452-P457 WeakPolarHBondContact OD2-CB 3.48Å
458	P	60.5	Low	76.1	Confident	15 Å²	15	81.9 Å²	81.9	10%	0.097	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-56.9	141.1	174.6	-22.4	31.5	0	0	0	111.4	L379 Q383 V460 N501	L379-P458 HydrophobicContact CD2-CB 4.33Å; L379-P458 HydrophobicContact CD2-CG 4.11Å; Q383-P458 HydrophobicContact CB-CG 4.12Å; Q383-P458 HydrophobicContact CG-CG 3.72Å; Q383-P458 VanDerWaalsContact NE2-CD 3.27Å; P458-V460 PolarHBondContact O-N 3.06Å; P458-N501 HydrophobicContact CB-CB 4.01Å; P458-N501 WeakPolarHBondContact CB-ND2 3.46Å; P458-N501 VanDerWaalsContact CB-OD1 3.31Å; P458-N501 WeakPolarHBondContact CB-OD1 3.24Å
459	K	69.2	Low	76.3	Confident	177 Å²	177	81.6 Å²	81.6	77%	0.77	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-62.6	128	179.2	-172.6	178.9	178.8	-177.1	0	110	V461 N501	K459-V461 PolarHBondContact O-N 2.86Å; K459-N501 WeakPolarHBondContact O-CB 3.36Å; K459-N501 PolarHBondContact O-ND2 2.7Å
460	V	70.8	Confident	76.4	Confident	79 Å²	79	92.6 Å²	92.6	48%	0.479	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-63.5	124.4	172.1	-177.8	0	0	0	0	109.1	P458 G503	P458-V460 PolarHBondContact O-N 3.06Å; V460-G503 VanDerWaalsContact CG1-CA 3.44Å
461	V	74	Confident	76.5	Confident	36 Å²	36	91.4 Å²	91.4	22%	0.218	46%	0.459	C	S	.	.	B	Isolated β-bridge	trans	-117.3	110.7	177.7	-176.7	0	0	0	0	108.4	K459 P497 P499 E500 G503	K459-V461 PolarHBondContact O-N 2.86Å; V461-P497 HydrophobicContact CG1-CB 3.87Å; V461-P497 HydrophobicContact CG1-CG 3.4Å; V461-P499 CarbonylContact O-C 3.26Å; V461-P499 WeakPolarHBondContact O-CA 3.03Å; V461-E500 HydrophobicContact CB-CB 3.94Å; V461-E500 HydrophobicContact CB-CG 4.45Å; V461-E500 HydrophobicContact CG2-CB 4.2Å; V461-E500 PolarHBondContact N-O 2.63Å; V461-E500 VanDerWaalsContact N-O 3.09Å; V461-E500 PolarHBondContact O-N 2.68Å; V461-G503 WeakPolarHBondContact O-CA 3.35Å
462	N	82.6	Confident	76.9	Confident	100 Å²	100	91 Å²	91	54%	0.535	46%	0.458	S	S	.	.			trans	-73.6	140.6	173.9	-64.6	-31.4	0	0	0	109.7	G503 A504	N462-G503 WeakPolarHBondContact OD1-CA 3.45Å; N462-A504 PolarHBondContact OD1-N 3.49Å
463	G	81.2	Confident	77.9	Confident	14 Å²	14	92.1 Å²	92.1	14%	0.144	47%	0.468	C	S	.	.			trans	-68.9	142.4	177.5	0	0	0	0	0	112.1	P497 A504	G463-P497 CarbonylContact C-O 3.55Å; G463-P497 VanDerWaalsContact CA-O 3.24Å; G463-P497 WeakPolarHBondContact CA-O 3.43Å; G463-A504 PolarHBondContact N-O 3.22Å
464	A	89.1	Confident	78.9	Confident	42 Å²	42	85.9 Å²	85.9	35%	0.347	46%	0.461	S	S	.	.			trans	-129.3	151.3	164.3	0	0	0	0	0	111.5	T495 N496 P497 C506	A464-T495 PolarHBondContact O-N 2.81Å; A464-N496 WeakPolarHBondContact CB-O 3.03Å; A464-N496 CarbonylContact O-C 3.39Å; A464-N496 WeakPolarHBondContact O-CA 3.41Å; A464-N496 PolarHBondContact O-N 2.78Å; A464-P497 PolarHBondContact N-O 2.78Å; A464-C506 WeakPolarHBondContact CA-SG 3.18Å; A464-C506 PolarHBondContact N-SG 2.95Å; A464-C506 VanDerWaalsContact N-SG 3.38Å; A464-C506 PolarHBondContact O-SG 3.39Å
465	W	89.2	Confident	80.2	Confident	54 Å²	54	87 Å²	87	21%	0.205	47%	0.473	C	S	.	.	B	Isolated β-bridge	trans	-71.9	140.9	-172.9	-75.3	119.5	0	0	0	111.8	R492 C494 C506 S507	W465-R492 HydrophobicContact CD2-CG 3.98Å; W465-R492 VanDerWaalsContact CD2-NE 3.25Å; W465-R492 HydrophobicContact CE3-CB 4.29Å; W465-R492 HydrophobicContact CE3-CG 3.55Å; W465-R492 HydrophobicContact CG-CG 4.48Å; W465-R492 HydrophobicContact CZ3-CG 4.01Å; W465-C494 HydrophobicContact CE3-CB 4.11Å; W465-C494 HydrophobicContact CH2-CB 4.47Å; W465-C494 HydrophobicContact CZ3-CB 3.93Å; W465-C506 HydrophobicContact CD2-CB 3.56Å; W465-C506 HydrophobicContact CE3-CB 4.14Å; W465-C506 HydrophobicContact CG-CB 3.96Å; W465-C506 HydrophobicContact CH2-CB 4.09Å; W465-C506 HydrophobicContact CZ2-CB 3.52Å; W465-C506 HydrophobicContact CZ3-CB 4.38Å; W465-S507 PolarHBondContact NE1-O 3.07Å
466	S	89.9	Confident	81.7	Confident	27 Å²	27	79.4 Å²	79.4	19%	0.189	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-61.8	164.3	160.2	76.1	0	0	0	0	110.4	T493	S466-T493 WeakPolarHBondContact CB-O 3.31Å; S466-T493 PolarHBondContact N-O 2.89Å; S466-T493 PolarHBondContact OG-N 3.36Å; S466-T493 PolarHBondContact OG-O 2.85Å; S466-T493 PolarHBondContact OG-OG1 3.4Å
467	S	90.6	Very high	83	Confident	104 Å²	104	76.5 Å²	76.5	73%	0.727	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-57.1	149.8	164.3	56.2	0	0	0	0	110.5
468	W	90.9	Very high	84.1	Confident	30 Å²	30	74.2 Å²	74.2	11%	0.114	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-62.8	140.5	171.3	-73.9	108.6	0	0	0	111.1	R470 S490 R492 S509 S510 R512 D623	W468-R470 PolarHBondContact O-N 2.71Å; W468-S490 WeakPolarHBondContact CZ3-O 3.43Å; W468-R492 HydrophobicContact CD2-CB 4.1Å; W468-R492 HydrophobicContact CD2-CG 4.02Å; W468-R492 VanDerWaalsContact CE2-CD 3.48Å; W468-R492 HydrophobicContact CE3-CB 3.87Å; W468-R492 HydrophobicContact CE3-CG 3.77Å; W468-R492 HydrophobicContact CH2-CG 3.81Å; W468-R492 HydrophobicContact CZ2-CG 4.05Å; W468-R492 VanDerWaalsContact CZ2-NE 3.29Å; W468-R492 HydrophobicContact CZ3-CB 4.21Å; W468-R492 HydrophobicContact CZ3-CG 3.65Å; W468-S509 WeakPolarHBondContact CH2-O 3.41Å; W468-S510 WeakPolarHBondContact CZ3-O 3.14Å; W468-R512 VanDerWaalsContact CD1-CZ 3.42Å; W468-R512 HydrophobicContact CD2-CG 4.21Å; W468-R512 HydrophobicContact CE3-CG 3.85Å; W468-R512 VanDerWaalsContact CG-CZ 3.42Å; W468-R512 HydrophobicContact CH2-CB 3.89Å; W468-R512 HydrophobicContact CH2-CG 3.83Å; W468-R512 HydrophobicContact CZ2-CB 4.36Å; W468-R512 HydrophobicContact CZ2-CG 4.17Å; W468-R512 HydrophobicContact CZ3-CB 4.1Å; W468-R512 HydrophobicContact CZ3-CG 3.66Å; W468-D623 HydrophobicContact CZ2-CB 4.03Å
469	K	91.5	Very high	85.4	Confident	136 Å²	136	74 Å²	74	59%	0.591	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-62.8	125.3	173.9	-171.7	177.6	-178.4	179.5	0	109.5	S490 E491	K469-S490 PolarHBondContact O-OG 3.37Å; K469-E491 VanDerWaalsContact CB-O 3.31Å; K469-E491 WeakPolarHBondContact CB-O 3.49Å; K469-E491 PolarHBondContact N-O 3.46Å
470	R	89.1	Confident	86.2	Confident	240 Å²	240	67.9 Å²	67.9	91%	0.906	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-63.8	137	175.6	-71.1	-169.6	-78.4	-174.7	-3.9	110.2	W468	W468-R470 PolarHBondContact O-N 2.71Å
471	V	87.4	Confident	87	Confident	44 Å²	44	64.1 Å²	64.1	27%	0.267	38%	0.376	S	S	.	.			trans	-117.7	148.3	178.2	-61.6	0	0	0	0	109.9	L488 K489 I514	V471-L488 HydrophobicContact CB-CB 4.13Å; V471-L488 HydrophobicContact CB-CD1 4.5Å; V471-L488 HydrophobicContact CG1-CB 4.35Å; V471-L488 HydrophobicContact CG2-CB 4.15Å; V471-L488 HydrophobicContact CG2-CD1 4.31Å; V471-K489 WeakPolarHBondContact CG1-O 3.22Å; V471-I514 HydrophobicContact CG2-CD1 3.36Å
472	S	89.9	Confident	87.6	Confident	68 Å²	68	66.6 Å²	66.6	48%	0.476	39%	0.388	S	S	.	.			trans	-101.1	124.7	174.2	-176.9	0	0	0	0	110.3	S474 A475 L488	S472-S474 PolarHBondContact O-N 2.89Å; S472-S474 VanDerWaalsContact O-N 3.16Å; S472-S474 PolarHBondContact OG-OG 3.35Å; S472-A475 WeakPolarHBondContact O-CB 3.33Å; S472-A475 PolarHBondContact O-N 2.68Å; S472-L488 WeakPolarHBondContact O-CD1 3.32Å
473	C	88.9	Confident	87.9	Confident	57 Å²	57	65.5 Å²	65.5	39%	0.385	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-61.4	-22.9	178.6	-64.5	0	0	0	0	113.6	A475 C476 C631	C473-A475 PolarHBondContact O-N 3.07Å; C473-C476 WeakPolarHBondContact O-CB 2.84Å; C473-C476 PolarHBondContact O-N 3.06Å; C473-C631 HydrophobicContact CB-CB 3.99Å; C473-C631 WeakPolarHBondContact CB-SG 3.38Å; C473-C631 WeakPolarHBondContact SG-CA 3.38Å; C473-C631 WeakPolarHBondContact SG-CB 3.49Å; C473-C631 CovalentContact SG-SG 2.05Å; C473-C631 PolarHBondContact SG-SG 3.37Å
474	S	86.3	Confident	88.4	Confident	109 Å²	109	64.9 Å²	64.9	76%	0.762	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-66.7	-20.5	175.2	60.2	0	0	0	0	114	S472 C476	S472-S474 PolarHBondContact O-N 2.89Å; S472-S474 VanDerWaalsContact O-N 3.16Å; S472-S474 PolarHBondContact OG-OG 3.35Å; S474-C476 PolarHBondContact O-N 3.02Å
475	A	88.9	Confident	88.5	Confident	68 Å²	68	63.1 Å²	63.1	56%	0.562	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-83	10.3	178.4	0	0	0	0	0	113.3	S472 C473 S477 L488	S472-A475 WeakPolarHBondContact O-CB 3.33Å; S472-A475 PolarHBondContact O-N 2.68Å; C473-A475 PolarHBondContact O-N 3.07Å; A475-S477 PolarHBondContact O-N 2.8Å; A475-L488 HydrophobicContact CB-CD2 4.04Å
476	C	87.3	Confident	88.6	Confident	45 Å²	45	60.5 Å²	60.5	30%	0.304	36%	0.356	S	S	.	.			trans	-61.1	121.7	-176.3	-169	0	0	0	0	111.4	C473 S474 C516	C473-C476 WeakPolarHBondContact O-CB 2.84Å; C473-C476 PolarHBondContact O-N 3.06Å; S474-C476 PolarHBondContact O-N 3.02Å; C476-C516 WeakPolarHBondContact CA-SG 3.44Å; C476-C516 HydrophobicContact CB-CB 3.58Å; C476-C516 WeakPolarHBondContact CB-SG 3.37Å; C476-C516 WeakPolarHBondContact SG-CB 3.41Å; C476-C516 CovalentContact SG-SG 2.02Å; C476-C516 PolarHBondContact SG-SG 3.46Å
477	S	84	Confident	88.8	Confident	87 Å²	87	60 Å²	60	61%	0.608	35%	0.352	S	S	*	.			trans	-118.7	145.2	173.7	-175.6	0	0	0	0	110.2	A475 G486	A475-S477 PolarHBondContact O-N 2.8Å; S477-G486 WeakPolarHBondContact O-CA 3.41Å
478	C	85.8	Confident	88.9	Confident	26 Å²	26	55.8 Å²	55.8	18%	0.176	32%	0.321	C	S	.	.			trans	-111.1	126.7	-179.8	-89.6	0	0	0	0	109.3	N517 C520 I526	C478-N517 PolarHBondContact SG-ND2 3.41Å; C478-N517 VanDerWaalsContact SG-ND2 3.44Å; C478-C520 WeakPolarHBondContact CA-SG 3.47Å; C478-C520 HydrophobicContact CB-CB 3.5Å; C478-C520 WeakPolarHBondContact CB-SG 3.45Å; C478-C520 VanDerWaalsContact SG-CA 3.54Å; C478-C520 WeakPolarHBondContact SG-CB 3.19Å; C478-C520 CovalentContact SG-SG 2.03Å; C478-C520 PolarHBondContact SG-SG 2.84Å; C478-I526 HydrophobicContact CB-CD1 4.06Å
479	P	87.7	Confident	88.8	Confident	10 Å²	10	58.3 Å²	58.3	7%	0.065	33%	0.333	C	S	.	.			trans	-74.1	144.5	174.7	32.7	-34.7	0	0	0	109.8	I481 S484 I485 P591 D592	P479-I481 PolarHBondContact O-N 3.27Å; P479-S484 VanDerWaalsContact CG-CB 3.46Å; P479-S484 PolarHBondContact O-OG 2.89Å; P479-I485 WeakPolarHBondContact CD-O 3.25Å; P479-P591 HydrophobicContact CB-CB 3.53Å; P479-P591 HydrophobicContact CB-CG 4.25Å; P479-P591 HydrophobicContact CG-CB 4.49Å; P479-D592 WeakPolarHBondContact CG-O 3.47Å
480	P	85.9	Confident	88.8	Confident	50 Å²	50	51.9 Å²	51.9	33%	0.325	31%	0.305	S	S	.	.	S	Bend	trans	-78.3	50.8	-173.5	34.3	-38	0	0	0	112.3	I526 V530	P480-I526 HydrophobicContact CB-CG2 4Å; P480-V530 VanDerWaalsContact O-CG2 3.31Å; P480-V530 WeakPolarHBondContact O-CG2 3.14Å; P480-V530 PolarHBondContact O-N 2.85Å; P480-V530 VanDerWaalsContact O-N 3.11Å
481	I	88	Confident	88.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-128.1	136.8	-175.5	-64.8	164.8	0	0	0	109.5	P479 S483 S484 V530 A532 Y535 M590 P591 S594 P595	P479-I481 PolarHBondContact O-N 3.27Å; I481-S483 PolarHBondContact O-N 3.13Å; I481-S484 WeakPolarHBondContact O-CB 3.48Å; I481-S484 PolarHBondContact O-N 2.88Å; I481-S484 PolarHBondContact O-OG 2.71Å; I481-V530 CarbonylContact C-O 3.53Å; I481-V530 VanDerWaalsContact CA-O 3.25Å; I481-V530 WeakPolarHBondContact CA-O 3.29Å; I481-A532 HydrophobicContact CG2-CB 4.11Å; I481-Y535 HydrophobicContact CD1-CD1 3.97Å; I481-Y535 HydrophobicContact CD1-CD2 3.98Å; I481-Y535 HydrophobicContact CD1-CE1 4.35Å; I481-Y535 HydrophobicContact CD1-CE2 4.36Å; I481-Y535 HydrophobicContact CD1-CG 3.78Å; I481-Y535 HydrophobicContact CG1-CD2 4.04Å; I481-Y535 HydrophobicContact CG1-CG 4.06Å; I481-M590 HydrophobicContact CD1-CE 3.71Å; I481-P591 HydrophobicContact CD1-CG 3.97Å; I481-S594 VanDerWaalsContact CD1-OG 3.28Å; I481-S594 WeakPolarHBondContact CD1-OG 3.14Å; I481-P595 HydrophobicContact CG2-CG 4.44Å
482	I	86.7	Confident	88.7	Confident	88 Å²	88	43.4 Å²	43.4	45%	0.451	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	138.8	177.9	-62.6	170.7	0	0	0	109.9	S484 V529 V530	I482-S484 PolarHBondContact O-N 3.12Å; I482-V529 HydrophobicContact CB-CG1 4.47Å; I482-V529 HydrophobicContact CG1-CG1 3.82Å; I482-V530 PolarHBondContact N-O 3.03Å
483	S	87.5	Confident	88.3	Confident	77 Å²	77	43.9 Å²	43.9	54%	0.538	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	23.8	-179.1	-56.3	0	0	0	0	114.8	I481 Y601	I481-S483 PolarHBondContact O-N 3.13Å; S483-Y601 WeakPolarHBondContact O-CE1 3.35Å
484	S	91.5	Very high	87.8	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	26%	0.264	C	S	.	.			trans	-80.1	160.4	172.5	69.2	0	0	0	0	113.6	P479 I481 I482 C520 G593	P479-S484 VanDerWaalsContact CG-CB 3.46Å; P479-S484 PolarHBondContact O-OG 2.89Å; I481-S484 WeakPolarHBondContact O-CB 3.48Å; I481-S484 PolarHBondContact O-N 2.88Å; I481-S484 PolarHBondContact O-OG 2.71Å; I482-S484 PolarHBondContact O-N 3.12Å; S484-C520 WeakPolarHBondContact O-CB 3.01Å; S484-C520 PolarHBondContact O-N 3Å; S484-C520 WeakPolarHBondContact OG-CB 3.39Å; S484-G593 WeakPolarHBondContact CA-O 3.43Å; S484-G593 WeakPolarHBondContact CB-O 3.33Å
485	I	92.1	Very high	87.4	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.021	25%	0.251	C	S	.	.			trans	-119.3	153.4	172.8	59.5	169.9	0	0	0	110.3	P479 V487 V515 N517 G593 Y601 L617	P479-I485 WeakPolarHBondContact CD-O 3.25Å; I485-V487 HydrophobicContact CD1-CG1 3.75Å; I485-V487 HydrophobicContact CG1-CG1 3.88Å; I485-V515 HydrophobicContact CD1-CG2 4.17Å; I485-N517 CarbonylContact C-O 3.51Å; I485-N517 WeakPolarHBondContact CA-O 3.45Å; I485-N517 WeakPolarHBondContact CB-O 2.96Å; I485-G593 PolarHBondContact N-O 3.07Å; I485-G593 VanDerWaalsContact O-CA 3.32Å; I485-G593 WeakPolarHBondContact O-CA 3.31Å; I485-Y601 HydrophobicContact CB-CE1 4.32Å; I485-Y601 HydrophobicContact CD1-CD1 3.82Å; I485-Y601 HydrophobicContact CD1-CD2 3.5Å; I485-Y601 VanDerWaalsContact CD1-CD2 3.5Å; I485-Y601 HydrophobicContact CD1-CE1 4.11Å; I485-Y601 HydrophobicContact CD1-CE2 3.83Å; I485-Y601 HydrophobicContact CD1-CG 3.48Å; I485-Y601 VanDerWaalsContact CD1-CG 3.48Å; I485-Y601 HydrophobicContact CG1-CD1 3.56Å; I485-Y601 HydrophobicContact CG1-CD2 4.21Å; I485-Y601 HydrophobicContact CG1-CE1 3.81Å; I485-Y601 HydrophobicContact CG1-CE2 4.43Å; I485-Y601 HydrophobicContact CG1-CG 3.75Å; I485-Y601 HydrophobicContact CG2-CD1 4.37Å; I485-Y601 HydrophobicContact CG2-CE1 3.72Å; I485-Y601 HydrophobicContact CG2-CE2 4.37Å; I485-L617 HydrophobicContact CD1-CD1 4.16Å; I485-L617 HydrophobicContact CD1-CD2 4.02Å; I485-L617 HydrophobicContact CD1-CG 4.36Å
486	G	91.8	Very high	87	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.4	171.3	0	0	0	0	0	109.5	S477 C516 N517 C520	S477-G486 WeakPolarHBondContact O-CA 3.41Å; G486-C516 PolarHBondContact O-N 3.35Å; G486-C516 PolarHBondContact O-SG 3.01Å; G486-C516 VanDerWaalsContact O-SG 3.34Å; G486-N517 PolarHBondContact N-O 2.86Å; G486-N517 PolarHBondContact O-N 2.68Å; G486-C520 PolarHBondContact N-SG 2.89Å
487	V	92.9	Very high	86.7	Confident	17 Å²	17	44.1 Å²	44.1	10%	0.103	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	142.9	-173.8	-72	0	0	0	0	111.7	I485 A513 I514 C516 D592 I603 L617	I485-V487 HydrophobicContact CD1-CG1 3.75Å; I485-V487 HydrophobicContact CG1-CG1 3.88Å; V487-A513 HydrophobicContact CB-CB 4.14Å; V487-A513 HydrophobicContact CG1-CB 4.43Å; V487-I514 CarbonylContact C-O 3.55Å; V487-I514 WeakPolarHBondContact CA-O 3.21Å; V487-C516 PolarHBondContact N-SG 2.89Å; V487-D592 HydrophobicContact CG2-CB 3.93Å; V487-I603 HydrophobicContact CB-CD1 3.94Å; V487-I603 HydrophobicContact CG1-CD1 4.31Å; V487-I603 HydrophobicContact CG2-CD1 3.56Å; V487-L617 HydrophobicContact CG1-CD1 3.82Å; V487-L617 HydrophobicContact CG1-CG 4.44Å
488	L	92.1	Very high	85.8	Confident	15 Å²	15	41.8 Å²	41.8	8%	0.079	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.5	175.6	-64.9	167.2	0	0	0	109.3	V471 S472 A475 S490 A513 I514 C516	V471-L488 HydrophobicContact CB-CB 4.13Å; V471-L488 HydrophobicContact CB-CD1 4.5Å; V471-L488 HydrophobicContact CG1-CB 4.35Å; V471-L488 HydrophobicContact CG2-CB 4.15Å; V471-L488 HydrophobicContact CG2-CD1 4.31Å; S472-L488 WeakPolarHBondContact O-CD1 3.32Å; A475-L488 HydrophobicContact CB-CD2 4.04Å; L488-S490 PolarHBondContact O-N 3.09Å; L488-A513 CarbonylContact O-C 3.49Å; L488-A513 WeakPolarHBondContact O-CA 3.49Å; L488-I514 PolarHBondContact N-O 2.92Å; L488-I514 PolarHBondContact O-N 3.47Å; L488-C516 HydrophobicContact CD1-CB 3.74Å; L488-C516 HydrophobicContact CG-CB 3.99Å
489	K	90.5	Very high	85	Confident	83 Å²	83	41.8 Å²	41.8	36%	0.361	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.4	179.4	-68.5	-171	-69.5	-153.9	0	110.9	V471 D592 I603 N604	V471-K489 WeakPolarHBondContact CG1-O 3.22Å; K489-D592 VanDerWaalsContact CD-OD2 3.29Å; K489-D592 WeakPolarHBondContact CD-OD2 3.43Å; K489-D592 VanDerWaalsContact CE-OD2 3.24Å; K489-D592 WeakPolarHBondContact CE-OD2 3.19Å; K489-D592 IonicContact NZ-OD2 2.88Å; K489-D592 PolarHBondContact NZ-OD2 2.91Å; K489-I603 HydrophobicContact CD-CG2 4.34Å; K489-I603 HydrophobicContact CG-CG2 4.37Å; K489-N604 WeakPolarHBondContact CD-OD1 3.26Å; K489-N604 PolarHBondContact NZ-OD1 3.1Å
490	S	90.5	Very high	83.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	131.7	171.1	-178.5	0	0	0	0	108.2	W468 K469 L488 R512	W468-S490 WeakPolarHBondContact CZ3-O 3.43Å; K469-S490 PolarHBondContact O-OG 3.37Å; L488-S490 PolarHBondContact O-N 3.09Å; S490-R512 PolarHBondContact N-O 2.9Å; S490-R512 PolarHBondContact O-N 2.88Å; S490-R512 VanDerWaalsContact O-O 3.07Å
491	E	87.6	Confident	82.8	Confident	78 Å²	78	44.5 Å²	44.5	36%	0.364	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.7	-170.4	-62.6	-180	171.9	0	0	110.3	K469 S510 H511	K469-E491 VanDerWaalsContact CB-O 3.31Å; K469-E491 WeakPolarHBondContact CB-O 3.49Å; K469-E491 PolarHBondContact N-O 3.46Å; E491-S510 WeakPolarHBondContact CA-O 3.27Å; E491-H511 IonicContact OE1-CD2 2.67Å; E491-H511 PolarHBondContact OE1-CD2 2.85Å; E491-H511 IonicContact OE1-NE2 3.09Å
492	R	86.8	Confident	81.5	Confident	28 Å²	28	46.4 Å²	46.4	11%	0.106	27%	0.27	C	S	.	.			trans	-137.5	156.8	173	62.8	178	-177.3	-169.8	-8.5	110.4	W465 W468 S509 S510 D623	W465-R492 HydrophobicContact CD2-CG 3.98Å; W465-R492 VanDerWaalsContact CD2-NE 3.25Å; W465-R492 HydrophobicContact CE3-CB 4.29Å; W465-R492 HydrophobicContact CE3-CG 3.55Å; W465-R492 HydrophobicContact CG-CG 4.48Å; W465-R492 HydrophobicContact CZ3-CG 4.01Å; W468-R492 HydrophobicContact CD2-CB 4.1Å; W468-R492 HydrophobicContact CD2-CG 4.02Å; W468-R492 VanDerWaalsContact CE2-CD 3.48Å; W468-R492 HydrophobicContact CE3-CB 3.87Å; W468-R492 HydrophobicContact CE3-CG 3.77Å; W468-R492 HydrophobicContact CH2-CG 3.81Å; W468-R492 HydrophobicContact CZ2-CG 4.05Å; W468-R492 VanDerWaalsContact CZ2-NE 3.29Å; W468-R492 HydrophobicContact CZ3-CB 4.21Å; W468-R492 HydrophobicContact CZ3-CG 3.65Å; R492-S509 PolarHBondContact NE-O 2.84Å; R492-S509 PolarHBondContact NH2-O 2.99Å; R492-S510 PolarHBondContact N-O 2.56Å; R492-S510 WeakPolarHBondContact O-CB 3.49Å; R492-D623 IonicContact CZ-OD1 3.71Å; R492-D623 IonicContact NH1-OD1 2.82Å; R492-D623 PolarHBondContact NH1-OD1 3.23Å; R492-D623 IonicContact NH2-OD1 3.7Å; R492-D623 PolarHBondContact NH2-OD1 2.83Å; R492-D623 IonicContact NH2-OD2 2.73Å; R492-D623 PolarHBondContact NH2-OD2 3Å
493	T	81.5	Confident	80.6	Confident	78 Å²	78	42.7 Å²	42.7	48%	0.479	25%	0.254	S	S	.	.			trans	-120.4	146.6	-178.5	59.3	0	0	0	0	110.5	S466 T495	S466-T493 WeakPolarHBondContact CB-O 3.31Å; S466-T493 PolarHBondContact N-O 2.89Å; S466-T493 PolarHBondContact OG-N 3.36Å; S466-T493 PolarHBondContact OG-O 2.85Å; S466-T493 PolarHBondContact OG-OG1 3.4Å; T493-T495 VanDerWaalsContact C-N 3.26Å; T493-T495 PolarHBondContact O-N 2.74Å; T493-T495 PolarHBondContact O-OG1 2.78Å; T493-T495 PolarHBondContact OG1-OG1 3.45Å
494	C	78.4	Confident	79.8	Confident	32 Å²	32	41.9 Å²	41.9	22%	0.216	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-82.8	74.3	179.8	-170.7	0	0	0	0	109.1	W465 A498 C506	W465-C494 HydrophobicContact CE3-CB 4.11Å; W465-C494 HydrophobicContact CH2-CB 4.47Å; W465-C494 HydrophobicContact CZ3-CB 3.93Å; C494-A498 WeakPolarHBondContact O-CA 3.05Å; C494-C506 WeakPolarHBondContact CA-SG 3.36Å; C494-C506 HydrophobicContact CB-CB 3.88Å; C494-C506 WeakPolarHBondContact CB-SG 3.39Å; C494-C506 WeakPolarHBondContact SG-CB 3.2Å; C494-C506 PolarHBondContact SG-N 3.24Å; C494-C506 CovalentContact SG-SG 2.02Å; C494-C506 PolarHBondContact SG-SG 3.08Å
495	T	78.4	Confident	78.8	Confident	82 Å²	82	45.9 Å²	45.9	50%	0.503	27%	0.272	S	S	.	.			trans	-135.4	3.3	-166.3	51.3	0	0	0	0	114.1	A464 T493 P497	A464-T495 PolarHBondContact O-N 2.81Å; T493-T495 VanDerWaalsContact C-N 3.26Å; T493-T495 PolarHBondContact O-N 2.74Å; T493-T495 PolarHBondContact O-OG1 2.78Å; T493-T495 PolarHBondContact OG1-OG1 3.45Å; T495-P497 VanDerWaalsContact C-CA 3.47Å; T495-P497 CarbonylContact C-O 3.31Å; T495-P497 WeakPolarHBondContact O-CA 3.45Å
496	N	80.4	Confident	78.2	Confident	110 Å²	110	46.5 Å²	46.5	59%	0.588	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	62.9	-175.5	-171.7	39.2	0	0	0	113.5	A464	A464-N496 WeakPolarHBondContact CB-O 3.03Å; A464-N496 CarbonylContact O-C 3.39Å; A464-N496 WeakPolarHBondContact O-CA 3.41Å; A464-N496 PolarHBondContact O-N 2.78Å
497	P	81	Confident	77.7	Confident	59 Å²	59	51.6 Å²	51.6	38%	0.383	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.7	173.6	-2	35.4	-34.6	0	0	0	112.3	V461 G463 A464 T495	V461-P497 HydrophobicContact CG1-CB 3.87Å; V461-P497 HydrophobicContact CG1-CG 3.4Å; G463-P497 CarbonylContact C-O 3.55Å; G463-P497 VanDerWaalsContact CA-O 3.24Å; G463-P497 WeakPolarHBondContact CA-O 3.43Å; A464-P497 PolarHBondContact N-O 2.78Å; T495-P497 VanDerWaalsContact C-CA 3.47Å; T495-P497 CarbonylContact C-O 3.31Å; T495-P497 WeakPolarHBondContact O-CA 3.45Å
498	A	65.8	Low	77	Confident	38 Å²	38	53 Å²	53	31%	0.314	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-73.9	152.3	168.4	0	0	0	0	0	110.9	C494 E500	C494-A498 WeakPolarHBondContact O-CA 3.05Å; A498-E500 PolarHBondContact O-N 3.44Å
499	P	67.2	Low	76.4	Confident	27 Å²	27	53 Å²	53	18%	0.175	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-64.7	121.2	173.9	-14.2	25.6	0	0	0	111.2	V461	V461-P499 CarbonylContact O-C 3.26Å; V461-P499 WeakPolarHBondContact O-CA 3.03Å
500	E	63.9	Low	76	Confident	96 Å²	96	51.1 Å²	51.1	45%	0.449	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-125.8	156.8	177	-56.7	178.9	-173.9	0	0	111.6	V461 A498 G502 G503	V461-E500 HydrophobicContact CB-CB 3.94Å; V461-E500 HydrophobicContact CB-CG 4.45Å; V461-E500 HydrophobicContact CG2-CB 4.2Å; V461-E500 PolarHBondContact N-O 2.63Å; V461-E500 VanDerWaalsContact N-O 3.09Å; V461-E500 PolarHBondContact O-N 2.68Å; A498-E500 PolarHBondContact O-N 3.44Å; E500-G502 PolarHBondContact O-N 3.21Å; E500-G503 PolarHBondContact O-N 3.31Å
501	N	65.1	Low	75.7	Confident	20 Å²	20	53.5 Å²	53.5	11%	0.107	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	28.6	169.6	-55.8	-48	0	0	0	115	T437 P458 K459	T437-N501 VanDerWaalsContact CG2-C 3.47Å; P458-N501 HydrophobicContact CB-CB 4.01Å; P458-N501 WeakPolarHBondContact CB-ND2 3.46Å; P458-N501 VanDerWaalsContact CB-OD1 3.31Å; P458-N501 WeakPolarHBondContact CB-OD1 3.24Å; K459-N501 WeakPolarHBondContact O-CB 3.36Å; K459-N501 PolarHBondContact O-ND2 2.7Å
502	G	59.5	Low	75.8	Confident	41 Å²	41	50 Å²	50	42%	0.423	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	12.7	179.9	0	0	0	0	0	113.8	E500	E500-G502 PolarHBondContact O-N 3.21Å
503	G	67.5	Low	76.1	Confident	10 Å²	10	48.7 Å²	48.7	10%	0.103	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-63.7	156.6	173.8	0	0	0	0	0	112.9	V460 V461 N462 E500	V460-G503 VanDerWaalsContact CG1-CA 3.44Å; V461-G503 WeakPolarHBondContact O-CA 3.35Å; N462-G503 WeakPolarHBondContact OD1-CA 3.45Å; E500-G503 PolarHBondContact O-N 3.31Å
504	A	71.5	Confident	76.6	Confident	59 Å²	59	45 Å²	45	49%	0.488	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-64.7	142.6	178.6	0	0	0	0	0	110.9	N462 G463	N462-A504 PolarHBondContact OD1-N 3.49Å; G463-A504 PolarHBondContact N-O 3.22Å
505	D	69.9	Low	77.4	Confident	85 Å²	85	43.6 Å²	43.6	46%	0.455	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-64.6	158.7	167.7	-69.7	-7.8	0	0	0	110.2	K403 S507	K403-D505 IonicContact NZ-OD1 3.32Å; K403-D505 PolarHBondContact NZ-OD1 3Å; K403-D505 IonicContact NZ-OD2 3.48Å; K403-D505 PolarHBondContact NZ-OD2 3.31Å; D505-S507 PolarHBondContact O-N 3.21Å
506	C	79.6	Confident	78	Confident	18 Å²	18	40.6 Å²	40.6	12%	0.122	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-59.9	132	171.9	-59.2	0	0	0	0	111.5	A464 W465 C494	A464-C506 WeakPolarHBondContact CA-SG 3.18Å; A464-C506 PolarHBondContact N-SG 2.95Å; A464-C506 VanDerWaalsContact N-SG 3.38Å; A464-C506 PolarHBondContact O-SG 3.39Å; W465-C506 HydrophobicContact CD2-CB 3.56Å; W465-C506 HydrophobicContact CE3-CB 4.14Å; W465-C506 HydrophobicContact CG-CB 3.96Å; W465-C506 HydrophobicContact CH2-CB 4.09Å; W465-C506 HydrophobicContact CZ2-CB 3.52Å; W465-C506 HydrophobicContact CZ3-CB 4.38Å; C494-C506 WeakPolarHBondContact CA-SG 3.36Å; C494-C506 HydrophobicContact CB-CB 3.88Å; C494-C506 WeakPolarHBondContact CB-SG 3.39Å; C494-C506 WeakPolarHBondContact SG-CB 3.2Å; C494-C506 PolarHBondContact SG-N 3.24Å; C494-C506 CovalentContact SG-SG 2.02Å; C494-C506 PolarHBondContact SG-SG 3.08Å
507	S	81.2	Confident	78.4	Confident	107 Å²	107	36.6 Å²	36.6	75%	0.748	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-80.9	134.5	174.3	56.3	0	0	0	0	111.6	W465 D505	W465-S507 PolarHBondContact NE1-O 3.07Å; D505-S507 PolarHBondContact O-N 3.21Å
508	G	78.2	Confident	78.7	Confident	45 Å²	45	38.2 Å²	38.2	46%	0.464	25%	0.245	S	C	.	.	S	Bend	trans	112.8	-171.7	178.1	0	0	0	0	0	113.5
509	S	79.5	Confident	79.5	Confident	16 Å²	16	40 Å²	40	11%	0.112	25%	0.25	C	C	.	.			trans	-90.5	142.7	-178.7	-173.4	0	0	0	0	112.1	W468 R492 H511 D623	W468-S509 WeakPolarHBondContact CH2-O 3.41Å; R492-S509 PolarHBondContact NE-O 2.84Å; R492-S509 PolarHBondContact NH2-O 2.99Å; S509-H511 VanDerWaalsContact C-N 3.26Å; S509-H511 WeakPolarHBondContact CB-O 3.32Å; S509-H511 PolarHBondContact OG-N 3.12Å; S509-H511 VanDerWaalsContact OG-N 3.17Å; S509-H511 PolarHBondContact OG-O 2.87Å; S509-D623 WeakPolarHBondContact CB-OD2 3.38Å; S509-D623 PolarHBondContact N-OD2 3.49Å
510	S	83.1	Confident	80.2	Confident	43 Å²	43	38.8 Å²	38.8	30%	0.301	24%	0.242	S	C	.	.	S	Bend	trans	-79.2	-8.8	168.3	47.5	0	0	0	0	113.6	W468 E491 R492	W468-S510 WeakPolarHBondContact CZ3-O 3.14Å; E491-S510 WeakPolarHBondContact CA-O 3.27Å; R492-S510 PolarHBondContact N-O 2.56Å; R492-S510 WeakPolarHBondContact O-CB 3.49Å
511	H	83.8	Confident	80.2	Confident	51 Å²	51	36 Å²	36	24%	0.236	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	139	-176.2	-56.1	75	0	0	0	110.4	E491 S509 N604	E491-H511 IonicContact OE1-CD2 2.67Å; E491-H511 PolarHBondContact OE1-CD2 2.85Å; E491-H511 IonicContact OE1-NE2 3.09Å; S509-H511 VanDerWaalsContact C-N 3.26Å; S509-H511 WeakPolarHBondContact CB-O 3.32Å; S509-H511 PolarHBondContact OG-N 3.12Å; S509-H511 VanDerWaalsContact OG-N 3.17Å; S509-H511 PolarHBondContact OG-O 2.87Å; H511-N604 PolarHBondContact CD2-ND2 3.2Å
512	R	89.6	Confident	79.9	Confident	5 Å²	5	41.6 Å²	41.6	2%	0.019	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	165.5	166.1	68.8	-176.8	179.3	176.6	2.9	109.1	W468 S490 V618 D623 C624 P625 E629	W468-R512 VanDerWaalsContact CD1-CZ 3.42Å; W468-R512 HydrophobicContact CD2-CG 4.21Å; W468-R512 HydrophobicContact CE3-CG 3.85Å; W468-R512 VanDerWaalsContact CG-CZ 3.42Å; W468-R512 HydrophobicContact CH2-CB 3.89Å; W468-R512 HydrophobicContact CH2-CG 3.83Å; W468-R512 HydrophobicContact CZ2-CB 4.36Å; W468-R512 HydrophobicContact CZ2-CG 4.17Å; W468-R512 HydrophobicContact CZ3-CB 4.1Å; W468-R512 HydrophobicContact CZ3-CG 3.66Å; S490-R512 PolarHBondContact N-O 2.9Å; S490-R512 PolarHBondContact O-N 2.88Å; S490-R512 VanDerWaalsContact O-O 3.07Å; R512-V618 HydrophobicContact CB-CG1 4.06Å; R512-D623 WeakPolarHBondContact CD-O 3.19Å; R512-D623 PolarHBondContact NH1-O 3.05Å; R512-C624 PolarHBondContact NH1-O 2.88Å; R512-P625 VanDerWaalsContact NH1-CA 3.31Å; R512-E629 IonicContact CZ-OE2 3.11Å; R512-E629 IonicContact NH1-OE2 2.74Å; R512-E629 PolarHBondContact NH1-OE2 3.43Å; R512-E629 IonicContact NH2-OE1 2.74Å; R512-E629 PolarHBondContact NH2-OE1 3.47Å; R512-E629 IonicContact NH2-OE2 3.24Å; R512-E629 PolarHBondContact NH2-OE2 2.9Å
513	A	92.4	Very high	79.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130	171.7	0	0	0	0	0	111.7	V487 L488 I603 A616 L617	V487-A513 HydrophobicContact CB-CB 4.14Å; V487-A513 HydrophobicContact CG1-CB 4.43Å; L488-A513 CarbonylContact O-C 3.49Å; L488-A513 WeakPolarHBondContact O-CA 3.49Å; A513-I603 HydrophobicContact CB-CD1 3.3Å; A513-I603 HydrophobicContact CB-CG1 3.56Å; A513-I603 HydrophobicContact CB-CG2 4.33Å; A513-A616 CarbonylContact O-C 3.56Å; A513-A616 WeakPolarHBondContact O-CA 3.27Å; A513-A616 VanDerWaalsContact O-CB 3.3Å; A513-A616 WeakPolarHBondContact O-CB 3.41Å; A513-L617 HydrophobicContact CB-CB 4.17Å; A513-L617 HydrophobicContact CB-CD1 4.27Å; A513-L617 HydrophobicContact CB-CG 4.44Å; A513-L617 PolarHBondContact N-O 3.37Å; A513-L617 VanDerWaalsContact N-O 3.09Å; A513-L617 PolarHBondContact O-N 3.47Å
514	I	93.5	Very high	78.9	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	128.6	177.6	-66.6	154.2	0	0	0	107.7	V471 V487 L488 C516 P625 E629	V471-I514 HydrophobicContact CG2-CD1 3.36Å; V487-I514 CarbonylContact C-O 3.55Å; V487-I514 WeakPolarHBondContact CA-O 3.21Å; L488-I514 PolarHBondContact N-O 2.92Å; L488-I514 PolarHBondContact O-N 3.47Å; I514-C516 PolarHBondContact O-N 3.37Å; I514-P625 HydrophobicContact CD1-CB 4.43Å; I514-P625 HydrophobicContact CG1-CB 4.1Å; I514-P625 HydrophobicContact CG1-CG 4.18Å; I514-E629 WeakPolarHBondContact CD1-O 3.46Å
515	V	93.8	Very high	78.1	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.012	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.4	178.2	179.8	0	0	0	0	108.6	I485 R518 L610 S615 L633	I485-V515 HydrophobicContact CD1-CG2 4.17Å; V515-R518 HydrophobicContact CG1-CG 4.12Å; V515-L610 HydrophobicContact CG2-CD1 3.67Å; V515-S615 WeakPolarHBondContact CB-O 3.26Å; V515-S615 PolarHBondContact N-O 2.93Å; V515-L633 HydrophobicContact CB-CD1 4.3Å; V515-L633 HydrophobicContact CG1-CD1 3.96Å
516	C	92.1	Very high	77.4	Confident	19 Å²	19	57.4 Å²	57.4	13%	0.128	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	-16.3	178.5	64.2	0	0	0	0	112.7	C476 G486 V487 L488 I514 C631 L633	C476-C516 WeakPolarHBondContact CA-SG 3.44Å; C476-C516 HydrophobicContact CB-CB 3.58Å; C476-C516 WeakPolarHBondContact CB-SG 3.37Å; C476-C516 WeakPolarHBondContact SG-CB 3.41Å; C476-C516 CovalentContact SG-SG 2.02Å; C476-C516 PolarHBondContact SG-SG 3.46Å; G486-C516 PolarHBondContact O-N 3.35Å; G486-C516 PolarHBondContact O-SG 3.01Å; G486-C516 VanDerWaalsContact O-SG 3.34Å; V487-C516 PolarHBondContact N-SG 2.89Å; L488-C516 HydrophobicContact CD1-CB 3.74Å; L488-C516 HydrophobicContact CG-CB 3.99Å; I514-C516 PolarHBondContact O-N 3.37Å; C516-C631 HydrophobicContact CB-CB 4.39Å; C516-L633 WeakPolarHBondContact O-CD2 3.42Å
517	N	88.9	Confident	76.3	Confident	26 Å²	26	61.7 Å²	61.7	14%	0.139	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	126.1	170.3	-173.4	-11.5	0	0	0	110.5	C478 I485 G486 N519	C478-N517 PolarHBondContact SG-ND2 3.41Å; C478-N517 VanDerWaalsContact SG-ND2 3.44Å; I485-N517 CarbonylContact C-O 3.51Å; I485-N517 WeakPolarHBondContact CA-O 3.45Å; I485-N517 WeakPolarHBondContact CB-O 2.96Å; G486-N517 PolarHBondContact N-O 2.86Å; G486-N517 PolarHBondContact O-N 2.68Å; N517-N519 PolarHBondContact OD1-N 3Å; N517-N519 PolarHBondContact OD1-O 3.4Å
518	R	85.6	Confident	75.6	Confident	93 Å²	93	62.3 Å²	62.3	35%	0.351	35%	0.347	S	S	.	.	S	Bend	trans	-83	-15.8	-179.8	-63.1	-169.8	179	-153	2.6	114.3	V515 R613 D614 L633	V515-R518 HydrophobicContact CG1-CG 4.12Å; R518-R613 PolarHBondContact NH2-O 3.34Å; R518-D614 IonicContact CZ-OD2 3.02Å; R518-D614 IonicContact NH1-OD2 2.82Å; R518-D614 PolarHBondContact NH1-OD2 3.43Å; R518-D614 PolarHBondContact NH2-O 2.86Å; R518-L633 HydrophobicContact CG-CD1 3.88Å; R518-L633 HydrophobicContact CG-CD2 4.44Å
519	N	82.8	Confident	75.4	Confident	75 Å²	75	62.7 Å²	62.7	40%	0.401	34%	0.34	S	S	.	.			trans	-146.1	91.8	-177.3	-162.2	-5.5	0	0	0	110.8	N517 G521 L522	N517-N519 PolarHBondContact OD1-N 3Å; N517-N519 PolarHBondContact OD1-O 3.4Å; N519-G521 PolarHBondContact O-N 3.28Å; N519-G521 PolarHBondContact OD1-N 2.76Å; N519-L522 WeakPolarHBondContact ND2-CD1 3.43Å; N519-L522 WeakPolarHBondContact ND2-CG 3.47Å
520	C	82.6	Confident	75.8	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.014	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-72.9	-16.3	174.1	-68.7	0	0	0	0	112.8	C478 S484 G486 L522	C478-C520 WeakPolarHBondContact CA-SG 3.47Å; C478-C520 HydrophobicContact CB-CB 3.5Å; C478-C520 WeakPolarHBondContact CB-SG 3.45Å; C478-C520 VanDerWaalsContact SG-CA 3.54Å; C478-C520 WeakPolarHBondContact SG-CB 3.19Å; C478-C520 CovalentContact SG-SG 2.03Å; C478-C520 PolarHBondContact SG-SG 2.84Å; S484-C520 WeakPolarHBondContact O-CB 3.01Å; S484-C520 PolarHBondContact O-N 3Å; S484-C520 WeakPolarHBondContact OG-CB 3.39Å; G486-C520 PolarHBondContact N-SG 2.89Å; C520-L522 VanDerWaalsContact C-N 3.32Å; C520-L522 PolarHBondContact O-N 3.2Å
521	G	62.9	Low	76.1	Confident	37 Å²	37	62.7 Å²	62.7	38%	0.381	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-81	6.6	-173.1	0	0	0	0	0	116.7	N519	N519-G521 PolarHBondContact O-N 3.28Å; N519-G521 PolarHBondContact OD1-N 2.76Å
522	L	59.8	Low	76.3	Confident	137 Å²	137	61.3 Å²	61.3	72%	0.717	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-121.8	4.3	-176.2	-69.5	177.1	0	0	0	114.7	N519 C520	N519-L522 WeakPolarHBondContact ND2-CD1 3.43Å; N519-L522 WeakPolarHBondContact ND2-CG 3.47Å; C520-L522 VanDerWaalsContact C-N 3.32Å; C520-L522 PolarHBondContact O-N 3.2Å
523	R	54.8	Low	76.4	Confident	171 Å²	171	68 Å²	68	65%	0.645	37%	0.367	S	S	*	.			trans	-87.3	127.2	179.2	-80	-168.9	177.2	-169.3	0.3	111.4	H525	R523-H525 PolarHBondContact O-N 2.76Å
524	P	52.3	Low	76.3	Confident	123 Å²	123	71.6 Å²	71.6	80%	0.799	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-1.5	178.5	-18.5	30.3	0	0	0	115.7
525	H	53.6	Low	76.3	Confident	179 Å²	179	74.1 Å²	74.1	83%	0.829	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	7.1	-169.3	-72.6	-68.5	0	0	0	115.3	R523	R523-H525 PolarHBondContact O-N 2.76Å
526	I	55.2	Low	76.2	Confident	54 Å²	54	74 Å²	74	28%	0.277	40%	0.395	S	S	.	.	S	Bend	trans	-106.8	102.1	169.9	-53.9	175.8	0	0	0	107.1	C478 P480 E528 V529	C478-I526 HydrophobicContact CB-CD1 4.06Å; P480-I526 HydrophobicContact CB-CG2 4Å; I526-E528 PolarHBondContact O-N 3.16Å; I526-V529 HydrophobicContact CB-CG2 4.32Å; I526-V529 HydrophobicContact CG2-CG2 4.3Å
527	A	56.3	Low	76.3	Confident	108 Å²	108	74.3 Å²	74.3	89%	0.893	40%	0.397	S	S	*	.	S	Bend	trans	-61.6	-7.4	-167.3	0	0	0	0	0	116
528	E	66.4	Low	76.5	Confident	120 Å²	120	78.7 Å²	78.7	56%	0.561	41%	0.411	S	S	*	.			trans	-161.3	105.1	169	-108.1	-169.5	170.3	0	0	109.5	I526 R538	I526-E528 PolarHBondContact O-N 3.16Å; E528-R538 IonicContact OE1-NH2 2.68Å; E528-R538 IonicContact OE2-CZ 2.62Å; E528-R538 IonicContact OE2-NH1 3.77Å; E528-R538 PolarHBondContact OE2-NH1 3.04Å; E528-R538 IonicContact OE2-NH2 2.68Å; E528-R538 PolarHBondContact OE2-NH2 2.9Å
529	V	75.4	Confident	76.7	Confident	53 Å²	53	76 Å²	76	32%	0.321	40%	0.403	S	S	.	.			trans	-86.9	123.5	166.7	-175.8	0	0	0	0	107.9	I482 I526	I482-V529 HydrophobicContact CB-CG1 4.47Å; I482-V529 HydrophobicContact CG1-CG1 3.82Å; I526-V529 HydrophobicContact CB-CG2 4.32Å; I526-V529 HydrophobicContact CG2-CG2 4.3Å
530	V	87.4	Confident	77.1	Confident	10 Å²	10	72.4 Å²	72.4	6%	0.061	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-110.7	157.6	-175.6	-65.3	0	0	0	0	112.8	P480 I481 I482 L534 Y535	P480-V530 VanDerWaalsContact O-CG2 3.31Å; P480-V530 WeakPolarHBondContact O-CG2 3.14Å; P480-V530 PolarHBondContact O-N 2.85Å; P480-V530 VanDerWaalsContact O-N 3.11Å; I481-V530 CarbonylContact C-O 3.53Å; I481-V530 VanDerWaalsContact CA-O 3.25Å; I481-V530 WeakPolarHBondContact CA-O 3.29Å; I482-V530 PolarHBondContact N-O 3.03Å; V530-L534 HydrophobicContact CB-CB 4.25Å; V530-L534 HydrophobicContact CB-CD2 3.96Å; V530-L534 HydrophobicContact CB-CG 4.25Å; V530-L534 HydrophobicContact CG1-CD2 3.75Å; V530-L534 HydrophobicContact CG1-CG 4.34Å; V530-Y535 HydrophobicContact CG2-CD2 4.28Å
531	S	89.2	Confident	77.6	Confident	50 Å²	50	74.6 Å²	74.6	35%	0.35	40%	0.402	S	S	.	.			trans	-66.6	151.9	169.6	71	0	0	0	0	110.8	K533 L534 Y535	S531-K533 PolarHBondContact O-N 2.95Å; S531-L534 PolarHBondContact O-N 2.91Å; S531-L534 WeakPolarHBondContact OG-CB 3.43Å; S531-L534 PolarHBondContact OG-N 2.82Å; S531-Y535 PolarHBondContact O-N 2.97Å
532	A	88.5	Confident	78.8	Confident	22 Å²	22	74.4 Å²	74.4	18%	0.182	40%	0.401	C	S	.	.	H	α-helix	trans	-55.9	-35.5	176.2	0	0	0	0	0	112.4	I481 Y535 T536 M590	I481-A532 HydrophobicContact CG2-CB 4.11Å; A532-Y535 PolarHBondContact O-N 2.88Å; A532-T536 WeakPolarHBondContact O-CB 3.33Å; A532-T536 WeakPolarHBondContact O-CG2 3.41Å; A532-T536 PolarHBondContact O-N 2.84Å; A532-T536 PolarHBondContact O-OG1 3.28Å; A532-M590 HydrophobicContact CB-CE 3.89Å
533	K	90.4	Very high	80	Confident	145 Å²	145	68.5 Å²	68.5	63%	0.63	37%	0.369	S	S	*	.	H	α-helix	trans	-64	-42.3	174.5	-174.7	177	179.7	-179.8	0	112.4	S531 T536 S537	S531-K533 PolarHBondContact O-N 2.95Å; K533-T536 WeakPolarHBondContact CA-OG1 3.35Å; K533-T536 PolarHBondContact O-OG1 2.95Å; K533-S537 VanDerWaalsContact O-CB 3.32Å; K533-S537 WeakPolarHBondContact O-CB 3.47Å; K533-S537 PolarHBondContact O-N 3.41Å; K533-S537 PolarHBondContact O-OG 2.82Å
534	L	91.4	Very high	81.6	Confident	76 Å²	76	66 Å²	66	40%	0.398	36%	0.36	S	S	.	.	H	α-helix	trans	-69.8	-40.9	177.6	-176.8	59.2	0	0	0	111.1	V530 S531 S537 R538	V530-L534 HydrophobicContact CB-CB 4.25Å; V530-L534 HydrophobicContact CB-CD2 3.96Å; V530-L534 HydrophobicContact CB-CG 4.25Å; V530-L534 HydrophobicContact CG1-CD2 3.75Å; V530-L534 HydrophobicContact CG1-CG 4.34Å; S531-L534 PolarHBondContact O-N 2.91Å; S531-L534 WeakPolarHBondContact OG-CB 3.43Å; S531-L534 PolarHBondContact OG-N 2.82Å; L534-S537 PolarHBondContact O-N 2.89Å; L534-R538 WeakPolarHBondContact O-CG 3.11Å; L534-R538 PolarHBondContact O-N 3.25Å
535	Y	92.5	Very high	83.3	Confident	55 Å²	55	68 Å²	68	22%	0.216	36%	0.359	C	S	.	.	H	α-helix	trans	-57.6	-51.8	175.2	-176.5	-92.1	0	0	0	112	I481 V530 S531 A532 S537 R538 I539 M590 P591	I481-Y535 HydrophobicContact CD1-CD1 3.97Å; I481-Y535 HydrophobicContact CD1-CD2 3.98Å; I481-Y535 HydrophobicContact CD1-CE1 4.35Å; I481-Y535 HydrophobicContact CD1-CE2 4.36Å; I481-Y535 HydrophobicContact CD1-CG 3.78Å; I481-Y535 HydrophobicContact CG1-CD2 4.04Å; I481-Y535 HydrophobicContact CG1-CG 4.06Å; V530-Y535 HydrophobicContact CG2-CD2 4.28Å; S531-Y535 PolarHBondContact O-N 2.97Å; A532-Y535 PolarHBondContact O-N 2.88Å; Y535-S537 VanDerWaalsContact C-N 3.33Å; Y535-S537 PolarHBondContact O-N 3.02Å; Y535-R538 PolarHBondContact O-N 2.82Å; Y535-I539 HydrophobicContact CD1-CD1 4.16Å; Y535-I539 HydrophobicContact CE1-CD1 3.47Å; Y535-I539 VanDerWaalsContact CE1-CD1 3.47Å; Y535-I539 HydrophobicContact CE1-CG1 4.41Å; Y535-I539 PolarHBondContact O-N 2.83Å; Y535-M590 HydrophobicContact CD1-CE 4.4Å; Y535-M590 HydrophobicContact CD1-SD 3.96Å; Y535-M590 HydrophobicContact CE1-SD 4.36Å; Y535-P591 HydrophobicContact CE1-CG 4.01Å; Y535-P591 HydrophobicContact CE2-CG 4.17Å; Y535-P591 WeakPolarHBondContact OH-CG 3.37Å
536	T	92.3	Very high	84.7	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-61.6	-40.5	178.2	48.3	0	0	0	0	111.9	A532 K533 I539 C540 G556 V569 M590	A532-T536 WeakPolarHBondContact O-CB 3.33Å; A532-T536 WeakPolarHBondContact O-CG2 3.41Å; A532-T536 PolarHBondContact O-N 2.84Å; A532-T536 PolarHBondContact O-OG1 3.28Å; K533-T536 WeakPolarHBondContact CA-OG1 3.35Å; K533-T536 PolarHBondContact O-OG1 2.95Å; T536-I539 PolarHBondContact O-N 2.95Å; T536-C540 PolarHBondContact O-N 3.47Å; T536-C540 PolarHBondContact O-SG 2.92Å; T536-C540 VanDerWaalsContact O-SG 3.39Å; T536-G556 VanDerWaalsContact OG1-C 3.29Å; T536-G556 PolarHBondContact OG1-O 2.04Å; T536-G556 VanDerWaalsContact OG1-O 3.13Å; T536-V569 HydrophobicContact CG2-CB 4.37Å; T536-V569 HydrophobicContact CG2-CG1 3.92Å; T536-V569 HydrophobicContact CG2-CG2 4.03Å; T536-M590 HydrophobicContact CG2-SD 3.58Å; T536-M590 VanDerWaalsContact CG2-SD 3.58Å
537	S	93.6	Very high	85.9	Confident	24 Å²	24	68.2 Å²	68.2	17%	0.168	35%	0.354	C	S	.	.	H	α-helix	trans	-67.3	-37	177.5	-58	0	0	0	0	112.8	K533 L534 Y535 I539 C540 A541 G554 G556	K533-S537 VanDerWaalsContact O-CB 3.32Å; K533-S537 WeakPolarHBondContact O-CB 3.47Å; K533-S537 PolarHBondContact O-N 3.41Å; K533-S537 PolarHBondContact O-OG 2.82Å; L534-S537 PolarHBondContact O-N 2.89Å; Y535-S537 VanDerWaalsContact C-N 3.33Å; Y535-S537 PolarHBondContact O-N 3.02Å; S537-I539 VanDerWaalsContact C-N 3.33Å; S537-I539 PolarHBondContact O-N 2.67Å; S537-C540 PolarHBondContact O-N 3.39Å; S537-A541 WeakPolarHBondContact O-CB 3.41Å; S537-A541 PolarHBondContact O-N 3.07Å; S537-G554 VanDerWaalsContact O-O 3.05Å; S537-G556 PolarHBondContact OG-N 3.15Å; S537-G556 VanDerWaalsContact OG-N 3.09Å; S537-G556 PolarHBondContact OG-O 2.85Å
538	R	93.2	Very high	87	Confident	119 Å²	119	72.2 Å²	72.2	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-43.1	173.2	-76.2	178.6	178.5	-173.4	-2	111.5	E528 L534 Y535 G542	E528-R538 IonicContact OE1-NH2 2.68Å; E528-R538 IonicContact OE2-CZ 2.62Å; E528-R538 IonicContact OE2-NH1 3.77Å; E528-R538 PolarHBondContact OE2-NH1 3.04Å; E528-R538 IonicContact OE2-NH2 2.68Å; E528-R538 PolarHBondContact OE2-NH2 2.9Å; L534-R538 WeakPolarHBondContact O-CG 3.11Å; L534-R538 PolarHBondContact O-N 3.25Å; Y535-R538 PolarHBondContact O-N 2.82Å; R538-G542 PolarHBondContact O-N 2.82Å; R538-G542 VanDerWaalsContact O-N 3.09Å
539	I	90.4	Very high	87.5	Confident	35 Å²	35	68.4 Å²	68.4	18%	0.179	33%	0.334	C	S	.	.	H	α-helix	trans	-61.6	-49.7	174.9	-70.2	-178.8	0	0	0	110.8	Y535 T536 S537 A541 G542 H543 V569 D588	Y535-I539 HydrophobicContact CD1-CD1 4.16Å; Y535-I539 HydrophobicContact CE1-CD1 3.47Å; Y535-I539 VanDerWaalsContact CE1-CD1 3.47Å; Y535-I539 HydrophobicContact CE1-CG1 4.41Å; Y535-I539 PolarHBondContact O-N 2.83Å; T536-I539 PolarHBondContact O-N 2.95Å; S537-I539 VanDerWaalsContact C-N 3.33Å; S537-I539 PolarHBondContact O-N 2.67Å; I539-A541 PolarHBondContact O-N 2.95Å; I539-G542 CarbonylContact O-C 3.53Å; I539-G542 WeakPolarHBondContact O-CA 3.42Å; I539-G542 PolarHBondContact O-N 3.29Å; I539-H543 PolarHBondContact O-CD2 3.06Å; I539-H543 PolarHBondContact O-N 2.73Å; I539-V569 HydrophobicContact CB-CG1 4.19Å; I539-V569 HydrophobicContact CD1-CG2 4.17Å; I539-V569 HydrophobicContact CG2-CG1 4Å; I539-D588 HydrophobicContact CD1-CB 4.44Å; I539-D588 HydrophobicContact CG2-CB 3.84Å
540	C	91.4	Very high	87.6	Confident	0 Å²	0	70 Å²	70	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-65.1	-36.6	-178.2	-68	0	0	0	0	113.8	T536 S537 G542 H543 R544 G556 C571	T536-C540 PolarHBondContact O-N 3.47Å; T536-C540 PolarHBondContact O-SG 2.92Å; T536-C540 VanDerWaalsContact O-SG 3.39Å; S537-C540 PolarHBondContact O-N 3.39Å; C540-G542 VanDerWaalsContact C-N 3.31Å; C540-H543 PolarHBondContact O-N 2.69Å; C540-R544 PolarHBondContact O-N 3.05Å; C540-G556 VanDerWaalsContact SG-CA 3.51Å; C540-C571 WeakPolarHBondContact CA-SG 3.38Å; C540-C571 HydrophobicContact CB-CB 3.69Å; C540-C571 WeakPolarHBondContact CB-SG 3.27Å; C540-C571 WeakPolarHBondContact SG-CA 3.4Å; C540-C571 WeakPolarHBondContact SG-CB 3.03Å; C540-C571 CovalentContact SG-SG 2.04Å; C540-C571 PolarHBondContact SG-SG 2.57Å
541	A	91.8	Very high	87.3	Confident	48 Å²	48	72.1 Å²	72.1	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-41.5	169.4	0	0	0	0	0	111.5	S537 I539 R544 Q545	S537-A541 WeakPolarHBondContact O-CB 3.41Å; S537-A541 PolarHBondContact O-N 3.07Å; I539-A541 PolarHBondContact O-N 2.95Å; A541-R544 WeakPolarHBondContact O-CB 3.41Å; A541-R544 PolarHBondContact O-N 2.88Å; A541-Q545 PolarHBondContact O-N 2.66Å
542	G	89.1	Confident	86.9	Confident	33 Å²	33	69.8 Å²	69.8	34%	0.34	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-41.9	172.6	0	0	0	0	0	113.4	R538 I539 C540 Q545 R546	R538-G542 PolarHBondContact O-N 2.82Å; R538-G542 VanDerWaalsContact O-N 3.09Å; I539-G542 CarbonylContact O-C 3.53Å; I539-G542 WeakPolarHBondContact O-CA 3.42Å; I539-G542 PolarHBondContact O-N 3.29Å; C540-G542 VanDerWaalsContact C-N 3.31Å; G542-Q545 PolarHBondContact O-N 3.25Å; G542-R546 VanDerWaalsContact O-CB 3.23Å; G542-R546 WeakPolarHBondContact O-CB 3.49Å; G542-R546 PolarHBondContact O-N 3.48Å
543	H	85.7	Confident	86.8	Confident	13 Å²	13	70 Å²	70	6%	0.06	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-44.1	173.4	-75.9	-78.3	0	0	0	112.5	I539 C540 Q545 R546 L547 I552 F586 D588	I539-H543 PolarHBondContact O-CD2 3.06Å; I539-H543 PolarHBondContact O-N 2.73Å; C540-H543 PolarHBondContact O-N 2.69Å; H543-Q545 VanDerWaalsContact C-N 3.31Å; H543-Q545 PolarHBondContact O-N 3.24Å; H543-R546 PolarHBondContact CE1-NH2 2.98Å; H543-R546 PolarHBondContact ND1-NH2 2.78Å; H543-R546 VanDerWaalsContact ND1-NH2 3.18Å; H543-R546 PolarHBondContact O-N 3.34Å; H543-L547 HydrophobicContact CB-CD1 4.33Å; H543-L547 VanDerWaalsContact O-CB 3.22Å; H543-L547 WeakPolarHBondContact O-CB 3.41Å; H543-L547 WeakPolarHBondContact O-CG 3.34Å; H543-L547 PolarHBondContact O-N 3.42Å; H543-I552 HydrophobicContact CB-CD1 4.46Å; H543-F586 HydrophobicContact CB-CD2 4.27Å; H543-F586 HydrophobicContact CB-CE2 4.33Å; H543-F586 WeakPolarHBondContact CE1-CB 3.23Å; H543-F586 AromaticContact CE1-CG 3.97Å; H543-F586 AromaticContact CG-CD2 3.94Å; H543-F586 AromaticContact ND1-CG 3.69Å; H543-D588 IonicContact CD2-OD2 3.08Å; H543-D588 IonicContact CE1-OD1 3.62Å; H543-D588 IonicContact CE1-OD2 3.81Å; H543-D588 PolarHBondContact CE1-OD2 3.18Å; H543-D588 VanDerWaalsContact NE2-CG 3.28Å; H543-D588 IonicContact NE2-OD1 3.42Å; H543-D588 IonicContact NE2-OD2 2.89Å; H543-D588 PolarHBondContact NE2-OD2 3.33Å
544	R	87.8	Confident	86.6	Confident	120 Å²	120	63.6 Å²	63.6	45%	0.453	32%	0.323	S	S	.	.	H	α-helix	trans	-56	-47.3	176.4	-174.7	-175.5	-178.9	175	-5.5	110.8	C540 A541 K548 I552 N553	C540-R544 PolarHBondContact O-N 3.05Å; A541-R544 WeakPolarHBondContact O-CB 3.41Å; A541-R544 PolarHBondContact O-N 2.88Å; R544-K548 WeakPolarHBondContact O-CA 3.43Å; R544-K548 PolarHBondContact O-N 3.23Å; R544-I552 HydrophobicContact CB-CB 4.22Å; R544-I552 HydrophobicContact CB-CG2 4.15Å; R544-I552 WeakPolarHBondContact CD-O 3.47Å; R544-I552 HydrophobicContact CG-CB 4.39Å; R544-I552 WeakPolarHBondContact CG-O 3.38Å; R544-I552 PolarHBondContact NE-O 2.86Å; R544-N553 PolarHBondContact NH1-O 2.88Å
545	Q	87	Confident	86.5	Confident	165 Å²	165	63.5 Å²	63.5	77%	0.771	32%	0.322	S	S	*	.	H	α-helix	trans	-67	-46.4	178.9	-169.7	179.5	16.5	0	0	112.3	A541 G542 H543	A541-Q545 PolarHBondContact O-N 2.66Å; G542-Q545 PolarHBondContact O-N 3.25Å; H543-Q545 VanDerWaalsContact C-N 3.31Å; H543-Q545 PolarHBondContact O-N 3.24Å
546	R	83.6	Confident	86.4	Confident	166 Å²	166	60.9 Å²	60.9	63%	0.626	31%	0.312	S	S	*	.	H	α-helix	trans	-70.2	-39.3	-176.6	-174.1	179.5	62.7	77	-3.3	113.2	G542 H543	G542-R546 VanDerWaalsContact O-CB 3.23Å; G542-R546 WeakPolarHBondContact O-CB 3.49Å; G542-R546 PolarHBondContact O-N 3.48Å; H543-R546 PolarHBondContact CE1-NH2 2.98Å; H543-R546 PolarHBondContact ND1-NH2 2.78Å; H543-R546 VanDerWaalsContact ND1-NH2 3.18Å; H543-R546 PolarHBondContact O-N 3.34Å
547	L	79.8	Confident	86.2	Confident	71 Å²	71	62.4 Å²	62.4	37%	0.372	32%	0.321	S	S	.	.	H	α-helix	trans	-88	-14.5	-178.4	-62.7	174.6	0	0	0	112.9	H543 D549 I552 F586	H543-L547 HydrophobicContact CB-CD1 4.33Å; H543-L547 VanDerWaalsContact O-CB 3.22Å; H543-L547 WeakPolarHBondContact O-CB 3.41Å; H543-L547 WeakPolarHBondContact O-CG 3.34Å; H543-L547 PolarHBondContact O-N 3.42Å; L547-D549 HydrophobicContact CB-CB 4.22Å; L547-D549 PolarHBondContact O-N 3.3Å; L547-I552 HydrophobicContact CD1-CD1 4.09Å; L547-F586 HydrophobicContact CD1-CD1 3.87Å; L547-F586 HydrophobicContact CD1-CE1 3.35Å; L547-F586 HydrophobicContact CD1-CZ 3.89Å
548	K	81.4	Confident	85.8	Confident	192 Å²	192	62.9 Å²	62.9	84%	0.835	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	33.2	-172.8	-57.2	-176.4	179.2	-176.8	0	112.7	R544	R544-K548 WeakPolarHBondContact O-CA 3.43Å; R544-K548 PolarHBondContact O-N 3.23Å
549	D	76.8	Confident	85.3	Confident	39 Å²	39	58.8 Å²	58.8	21%	0.209	31%	0.308	C	S	.	.			trans	-95.2	106.2	-178.2	-176.6	-9.2	0	0	0	109.7	L547 T551 I552 R584	L547-D549 HydrophobicContact CB-CB 4.22Å; L547-D549 PolarHBondContact O-N 3.3Å; D549-T551 PolarHBondContact O-N 3.17Å; D549-T551 WeakPolarHBondContact OD1-CB 3.27Å; D549-T551 PolarHBondContact OD1-N 3.39Å; D549-T551 PolarHBondContact OD1-OG1 3.03Å; D549-T551 PolarHBondContact OD2-OG1 3.23Å; D549-I552 HydrophobicContact CB-CD1 3.78Å; D549-I552 HydrophobicContact CB-CG1 4.06Å; D549-I552 PolarHBondContact O-N 2.94Å; D549-R584 IonicContact OD2-CZ 2.88Å; D549-R584 IonicContact OD2-NH1 3.88Å; D549-R584 PolarHBondContact OD2-NH1 2.95Å
550	A	77.5	Confident	85	Confident	86 Å²	86	60.8 Å²	60.8	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-16.5	-178.9	0	0	0	0	0	113.6	I552	A550-I552 VanDerWaalsContact C-N 3.27Å; A550-I552 PolarHBondContact O-N 3.04Å
551	T	80.5	Confident	84.1	Confident	56 Å²	56	71.5 Å²	71.5	34%	0.344	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-21.6	177.1	68.2	0	0	0	0	112.2	D549 N553 I573 N574	D549-T551 PolarHBondContact O-N 3.17Å; D549-T551 WeakPolarHBondContact OD1-CB 3.27Å; D549-T551 PolarHBondContact OD1-N 3.39Å; D549-T551 PolarHBondContact OD1-OG1 3.03Å; D549-T551 PolarHBondContact OD2-OG1 3.23Å; T551-N553 PolarHBondContact O-N 2.73Å; T551-I573 CarbonylContact O-C 3.56Å; T551-I573 WeakPolarHBondContact O-CA 3.47Å; T551-N574 PolarHBondContact O-N 3.22Å
552	I	81.2	Confident	83.1	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	117.1	177.2	-52.4	170.2	0	0	0	108.3	H543 R544 L547 D549 A550 G554 C571 I573 F586	H543-I552 HydrophobicContact CB-CD1 4.46Å; R544-I552 HydrophobicContact CB-CB 4.22Å; R544-I552 HydrophobicContact CB-CG2 4.15Å; R544-I552 WeakPolarHBondContact CD-O 3.47Å; R544-I552 HydrophobicContact CG-CB 4.39Å; R544-I552 WeakPolarHBondContact CG-O 3.38Å; R544-I552 PolarHBondContact NE-O 2.86Å; L547-I552 HydrophobicContact CD1-CD1 4.09Å; D549-I552 HydrophobicContact CB-CD1 3.78Å; D549-I552 HydrophobicContact CB-CG1 4.06Å; D549-I552 PolarHBondContact O-N 2.94Å; A550-I552 VanDerWaalsContact C-N 3.27Å; A550-I552 PolarHBondContact O-N 3.04Å; I552-G554 VanDerWaalsContact C-N 3.29Å; I552-G554 PolarHBondContact O-N 3.19Å; I552-C571 HydrophobicContact CG2-CB 4.14Å; I552-I573 HydrophobicContact CG1-CG2 4.27Å; I552-F586 HydrophobicContact CD1-CE1 4.32Å; I552-F586 HydrophobicContact CD1-CE2 3.86Å; I552-F586 HydrophobicContact CD1-CZ 3.38Å; I552-F586 HydrophobicContact CG1-CE2 4.42Å; I552-F586 HydrophobicContact CG1-CZ 4.09Å
553	N	85	Confident	82.2	Confident	27 Å²	27	76.7 Å²	76.7	14%	0.144	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-20.7	-177.7	69	1.3	0	0	0	112.7	R544 T551 I555 E572	R544-N553 PolarHBondContact NH1-O 2.88Å; T551-N553 PolarHBondContact O-N 2.73Å; N553-I555 WeakPolarHBondContact OD1-CB 3.4Å; N553-I555 PolarHBondContact OD1-N 3.04Å; N553-E572 PolarHBondContact N-O 2.88Å; N553-E572 WeakPolarHBondContact ND2-CB 3.38Å; N553-E572 WeakPolarHBondContact ND2-CG 2.99Å; N553-E572 PolarHBondContact ND2-OE2 2.88Å; N553-E572 WeakPolarHBondContact OD1-CB 3.28Å; N553-E572 PolarHBondContact OD1-O 3.13Å
554	G	86.4	Confident	81.5	Confident	11 Å²	11	79.8 Å²	79.8	11%	0.113	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	94.6	-1.3	-177.6	0	0	0	0	0	114.1	S537 I552	S537-G554 VanDerWaalsContact O-O 3.05Å; I552-G554 VanDerWaalsContact C-N 3.29Å; I552-G554 PolarHBondContact O-N 3.19Å
555	I	89.9	Confident	81	Confident	73 Å²	73	79.6 Å²	79.6	37%	0.374	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.3	175.4	-56.3	-179.6	0	0	0	108.5	N553 V557 C571 E572	N553-I555 WeakPolarHBondContact OD1-CB 3.4Å; N553-I555 PolarHBondContact OD1-N 3.04Å; I555-V557 HydrophobicContact CG2-CG1 4.47Å; I555-C571 WeakPolarHBondContact O-CA 3.3Å; I555-E572 HydrophobicContact CB-CB 4.37Å; I555-E572 PolarHBondContact O-N 3.48Å
556	G	89.7	Confident	80.9	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.6	175.3	0	0	0	0	0	111.3	T536 S537 C540 F570	T536-G556 VanDerWaalsContact OG1-C 3.29Å; T536-G556 PolarHBondContact OG1-O 2.04Å; T536-G556 VanDerWaalsContact OG1-O 3.13Å; S537-G556 PolarHBondContact OG-N 3.15Å; S537-G556 VanDerWaalsContact OG-N 3.09Å; S537-G556 PolarHBondContact OG-O 2.85Å; C540-G556 VanDerWaalsContact SG-CA 3.51Å; G556-F570 CarbonylContact C-O 3.59Å; G556-F570 VanDerWaalsContact CA-O 3.29Å; G556-F570 WeakPolarHBondContact CA-O 3.38Å
557	V	87.8	Confident	81.1	Confident	33 Å²	33	63.9 Å²	63.9	20%	0.2	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	152.6	176.6	-57.9	0	0	0	0	111.8	I555 L559 F570 F583	I555-V557 HydrophobicContact CG2-CG1 4.47Å; V557-L559 HydrophobicContact CG2-CD2 4.16Å; V557-F570 HydrophobicContact CG2-CB 3.9Å; V557-F570 PolarHBondContact N-O 3.3Å; V557-F570 PolarHBondContact O-N 2.99Å; V557-F583 HydrophobicContact CB-CE1 4.36Å; V557-F583 HydrophobicContact CG1-CE1 4.21Å; V557-F583 HydrophobicContact CG2-CD1 3.56Å; V557-F583 HydrophobicContact CG2-CE1 3.24Å; V557-F583 HydrophobicContact CG2-CG 4.45Å; V557-F583 HydrophobicContact CG2-CZ 3.89Å
558	Q	86	Confident	81.4	Confident	33 Å²	33	61 Å²	61	15%	0.154	32%	0.317	C	S	.	.			trans	-110	123.5	172.7	-161.6	-177.2	11.3	0	0	107.5	T560 A566 M590 P595	Q558-T560 VanDerWaalsContact C-N 3.34Å; Q558-T560 HydrophobicContact CB-CG2 4.45Å; Q558-T560 HydrophobicContact CG-CG2 4.17Å; Q558-T560 PolarHBondContact O-N 2.86Å; Q558-T560 VanDerWaalsContact O-N 3.12Å; Q558-A566 WeakPolarHBondContact CG-O 3.17Å; Q558-A566 PolarHBondContact NE2-O 3.16Å; Q558-M590 HydrophobicContact CG-CG 4.19Å; Q558-P595 PolarHBondContact NE2-O 3.39Å
559	L	81.9	Confident	81.5	Confident	34 Å²	34	52 Å²	52	18%	0.178	28%	0.278	C	S	.	.			trans	-89.8	68.2	-176.3	-61.9	-179.5	0	0	0	110.9	V557 R561 F562 R565 F570 F583	V557-L559 HydrophobicContact CG2-CD2 4.16Å; L559-R561 PolarHBondContact O-N 3.17Å; L559-F562 HydrophobicContact CB-CD2 4.47Å; L559-F562 PolarHBondContact O-N 2.74Å; L559-F562 VanDerWaalsContact O-N 3.13Å; L559-R565 HydrophobicContact CB-CB 4.05Å; L559-F570 HydrophobicContact CB-CD2 4.38Å; L559-F570 HydrophobicContact CB-CE2 4.22Å; L559-F570 HydrophobicContact CD1-CD1 4.42Å; L559-F570 HydrophobicContact CD1-CD2 3.73Å; L559-F570 HydrophobicContact CD1-CE1 4.35Å; L559-F570 HydrophobicContact CD1-CE2 3.64Å; L559-F570 HydrophobicContact CD1-CG 4.13Å; L559-F570 HydrophobicContact CD1-CZ 3.97Å; L559-F570 HydrophobicContact CG-CD2 3.7Å; L559-F570 HydrophobicContact CG-CE2 3.89Å; L559-F570 HydrophobicContact CG-CG 4.34Å; L559-F583 HydrophobicContact CD2-CE2 4.47Å
560	T	85.2	Confident	81.9	Confident	76 Å²	76	51 Å²	51	47%	0.466	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.7	-172.6	55.3	0	0	0	0	114.4	Q558 F562 C596	Q558-T560 VanDerWaalsContact C-N 3.34Å; Q558-T560 HydrophobicContact CB-CG2 4.45Å; Q558-T560 HydrophobicContact CG-CG2 4.17Å; Q558-T560 PolarHBondContact O-N 2.86Å; Q558-T560 VanDerWaalsContact O-N 3.12Å; T560-F562 PolarHBondContact O-N 2.84Å; T560-C596 WeakPolarHBondContact CB-O 3.32Å; T560-C596 WeakPolarHBondContact CG2-O 3.33Å
561	R	73.1	Confident	82.3	Confident	226 Å²	226	47 Å²	47	85%	0.853	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.9	175.1	-165.8	174.3	-174.1	177.6	3	113.5	L559	L559-R561 PolarHBondContact O-N 3.17Å
562	F	70.9	Confident	82.5	Confident	107 Å²	107	46 Å²	46	47%	0.469	23%	0.23	S	C	.	.	S	Bend	trans	-121.6	105.4	178.8	-53.3	-78	0	0	0	109.3	L559 T560 S564 R565 A566	L559-F562 HydrophobicContact CB-CD2 4.47Å; L559-F562 PolarHBondContact O-N 2.74Å; L559-F562 VanDerWaalsContact O-N 3.13Å; T560-F562 PolarHBondContact O-N 2.84Å; F562-S564 PolarHBondContact O-N 3.38Å; F562-R565 HydrophobicContact CB-CB 4.13Å; F562-R565 HydrophobicContact CB-CG 4.19Å; F562-R565 CarbonylContact O-C 3.54Å; F562-R565 WeakPolarHBondContact O-CA 3.41Å; F562-R565 PolarHBondContact O-N 2.03Å; F562-A566 WeakPolarHBondContact O-CB 3.39Å; F562-A566 PolarHBondContact O-N 3.15Å
563	S	69.8	Low	82.6	Confident	83 Å²	83	47.2 Å²	47.2	58%	0.58	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-35	-176.7	59.7	0	0	0	0	114.1	R565 C607	S563-R565 VanDerWaalsContact C-N 3.25Å; S563-R565 PolarHBondContact O-N 2.79Å; S563-C607 WeakPolarHBondContact O-CB 3Å
564	S	70.4	Confident	81.8	Confident	77 Å²	77	50.7 Å²	50.7	54%	0.538	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-13	176.5	64	0	0	0	0	115.1	F562	F562-S564 PolarHBondContact O-N 3.38Å
565	R	78.1	Confident	80.5	Confident	117 Å²	117	53.6 Å²	53.6	44%	0.442	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.8	-12.6	179.1	-58.1	-174.4	179.6	-173.4	0.1	112.5	L559 F562 S563 C567 K568 F570	L559-R565 HydrophobicContact CB-CB 4.05Å; F562-R565 HydrophobicContact CB-CB 4.13Å; F562-R565 HydrophobicContact CB-CG 4.19Å; F562-R565 CarbonylContact O-C 3.54Å; F562-R565 WeakPolarHBondContact O-CA 3.41Å; F562-R565 PolarHBondContact O-N 2.03Å; S563-R565 VanDerWaalsContact C-N 3.25Å; S563-R565 PolarHBondContact O-N 2.79Å; R565-C567 PolarHBondContact O-N 3.18Å; R565-C567 VanDerWaalsContact O-N 3.08Å; R565-K568 WeakPolarHBondContact O-CB 3.1Å; R565-K568 PolarHBondContact O-N 3.33Å; R565-F570 HydrophobicContact CB-CE2 3.92Å; R565-F570 HydrophobicContact CB-CZ 4.12Å; R565-F570 HydrophobicContact CG-CZ 4.28Å
566	A	83.9	Confident	78.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-14.3	-173.3	0	0	0	0	0	113.9	Q558 F562 C596 C607	Q558-A566 WeakPolarHBondContact CG-O 3.17Å; Q558-A566 PolarHBondContact NE2-O 3.16Å; F562-A566 WeakPolarHBondContact O-CB 3.39Å; F562-A566 PolarHBondContact O-N 3.15Å; A566-C596 HydrophobicContact CB-CB 3.87Å; A566-C607 HydrophobicContact CB-CB 3.99Å
567	C	87.8	Confident	76.6	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	10.5	176	-65.2	0	0	0	0	113.8	R565 W589 M590 C602 G605	R565-C567 PolarHBondContact O-N 3.18Å; R565-C567 VanDerWaalsContact O-N 3.08Å; C567-W589 WeakPolarHBondContact O-CA 3.43Å; C567-M590 PolarHBondContact O-N 3.28Å; C567-C602 WeakPolarHBondContact CA-SG 3.29Å; C567-C602 HydrophobicContact CB-CB 3.78Å; C567-C602 WeakPolarHBondContact CB-SG 3.38Å; C567-C602 WeakPolarHBondContact SG-CA 3.06Å; C567-C602 WeakPolarHBondContact SG-CB 3.3Å; C567-C602 CovalentContact SG-SG 2.03Å; C567-C602 PolarHBondContact SG-SG 3.1Å; C567-G605 WeakPolarHBondContact CB-O 3.43Å
568	K	85.1	Confident	74.3	Confident	12 Å²	12	65.2 Å²	65.2	5%	0.052	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	145.8	177.5	-67.9	-176.8	179.7	-163	0	110.5	W423 R565 F570 F585 W589	W423-K568 VanDerWaalsContact CE3-NZ 3.29Å; R565-K568 WeakPolarHBondContact O-CB 3.1Å; R565-K568 PolarHBondContact O-N 3.33Å; K568-F570 HydrophobicContact CB-CD2 4.12Å; K568-F570 HydrophobicContact CB-CE2 3.52Å; K568-F570 HydrophobicContact CB-CZ 3.98Å; K568-F570 HydrophobicContact CD-CE2 4.29Å; K568-F570 HydrophobicContact CD-CZ 3.95Å; K568-F585 HydrophobicContact CB-CD2 3.9Å; K568-F585 HydrophobicContact CB-CE2 3.58Å; K568-F585 HydrophobicContact CB-CZ 4.41Å; K568-F585 HydrophobicContact CD-CD2 4.19Å; K568-F585 HydrophobicContact CD-CE1 4.43Å; K568-F585 HydrophobicContact CD-CE2 3.92Å; K568-F585 HydrophobicContact CD-CZ 4.05Å; K568-F585 HydrophobicContact CG-CD2 4.3Å; K568-F585 HydrophobicContact CG-CE2 3.7Å; K568-F585 HydrophobicContact CG-CZ 4.03Å; K568-W589 HydrophobicContact CD-CH2 4.34Å; K568-W589 HydrophobicContact CD-CZ3 4.08Å; K568-W589 VanDerWaalsContact CE-CH2 3.47Å; K568-W589 HydrophobicContact CG-CE3 3.66Å; K568-W589 HydrophobicContact CG-CH2 4.07Å; K568-W589 HydrophobicContact CG-CZ3 3.38Å
569	V	85.1	Confident	72.6	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.006	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	112	172.5	-176.7	0	0	0	0	109.3	T536 I539 F585 D588 M590	T536-V569 HydrophobicContact CG2-CB 4.37Å; T536-V569 HydrophobicContact CG2-CG1 3.92Å; T536-V569 HydrophobicContact CG2-CG2 4.03Å; I539-V569 HydrophobicContact CB-CG1 4.19Å; I539-V569 HydrophobicContact CD1-CG2 4.17Å; I539-V569 HydrophobicContact CG2-CG1 4Å; V569-F585 WeakPolarHBondContact O-CD2 3.02Å; V569-D588 HydrophobicContact CB-CB 4.13Å; V569-D588 WeakPolarHBondContact CB-O 3.31Å; V569-D588 HydrophobicContact CG2-CB 4.33Å; V569-D588 PolarHBondContact N-O 3.08Å; V569-M590 HydrophobicContact CG2-CG 4.42Å; V569-M590 HydrophobicContact CG2-SD 4.13Å
570	F	84.6	Confident	71.2	Confident	20 Å²	20	74.1 Å²	74.1	9%	0.088	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.6	176.5	-70.7	-84.8	0	0	0	110.2	G556 V557 L559 R565 K568 F583 F585	G556-F570 CarbonylContact C-O 3.59Å; G556-F570 VanDerWaalsContact CA-O 3.29Å; G556-F570 WeakPolarHBondContact CA-O 3.38Å; V557-F570 HydrophobicContact CG2-CB 3.9Å; V557-F570 PolarHBondContact N-O 3.3Å; V557-F570 PolarHBondContact O-N 2.99Å; L559-F570 HydrophobicContact CB-CD2 4.38Å; L559-F570 HydrophobicContact CB-CE2 4.22Å; L559-F570 HydrophobicContact CD1-CD1 4.42Å; L559-F570 HydrophobicContact CD1-CD2 3.73Å; L559-F570 HydrophobicContact CD1-CE1 4.35Å; L559-F570 HydrophobicContact CD1-CE2 3.64Å; L559-F570 HydrophobicContact CD1-CG 4.13Å; L559-F570 HydrophobicContact CD1-CZ 3.97Å; L559-F570 HydrophobicContact CG-CD2 3.7Å; L559-F570 HydrophobicContact CG-CE2 3.89Å; L559-F570 HydrophobicContact CG-CG 4.34Å; R565-F570 HydrophobicContact CB-CE2 3.92Å; R565-F570 HydrophobicContact CB-CZ 4.12Å; R565-F570 HydrophobicContact CG-CZ 4.28Å; K568-F570 HydrophobicContact CB-CD2 4.12Å; K568-F570 HydrophobicContact CB-CE2 3.52Å; K568-F570 HydrophobicContact CB-CZ 3.98Å; K568-F570 HydrophobicContact CD-CE2 4.29Å; K568-F570 HydrophobicContact CD-CZ 3.95Å; F570-F583 HydrophobicContact CB-CB 4.04Å; F570-F583 HydrophobicContact CB-CD1 4.19Å; F570-F583 HydrophobicContact CB-CG 4.31Å; F570-F583 HydrophobicContact CD1-CB 4.05Å; F570-F583 HydrophobicContact CG-CB 4.38Å; F570-F585 HydrophobicContact CD1-CB 4.01Å; F570-F585 HydrophobicContact CE1-CB 3.91Å
571	C	85.2	Confident	70.1	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.007	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.3	174.4	-55.9	0	0	0	0	109.9	C540 I552 I555 F583 R584 F586	C540-C571 WeakPolarHBondContact CA-SG 3.38Å; C540-C571 HydrophobicContact CB-CB 3.69Å; C540-C571 WeakPolarHBondContact CB-SG 3.27Å; C540-C571 WeakPolarHBondContact SG-CA 3.4Å; C540-C571 WeakPolarHBondContact SG-CB 3.03Å; C540-C571 CovalentContact SG-SG 2.04Å; C540-C571 PolarHBondContact SG-SG 2.57Å; I552-C571 HydrophobicContact CG2-CB 4.14Å; I555-C571 WeakPolarHBondContact O-CA 3.3Å; C571-F583 CarbonylContact O-C 3.54Å; C571-F583 WeakPolarHBondContact O-CA 3.23Å; C571-R584 PolarHBondContact N-O 3.46Å; C571-R584 PolarHBondContact O-N 3.39Å; C571-F586 HydrophobicContact CB-CD2 4.15Å; C571-F586 HydrophobicContact CB-CE2 3.86Å
572	E	85.9	Confident	69.9	Low	34 Å²	34	67.5 Å²	67.5	16%	0.159	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	140.2	177	-177.7	179.5	-174.8	0	0	110.8	N553 I555 I581 N582 F583	N553-E572 PolarHBondContact N-O 2.88Å; N553-E572 WeakPolarHBondContact ND2-CB 3.38Å; N553-E572 WeakPolarHBondContact ND2-CG 2.99Å; N553-E572 PolarHBondContact ND2-OE2 2.88Å; N553-E572 WeakPolarHBondContact OD1-CB 3.28Å; N553-E572 PolarHBondContact OD1-O 3.13Å; I555-E572 HydrophobicContact CB-CB 4.37Å; I555-E572 PolarHBondContact O-N 3.48Å; E572-I581 HydrophobicContact CG-CG2 3.61Å; E572-I581 VanDerWaalsContact OE1-CG2 3.26Å; E572-I581 WeakPolarHBondContact OE1-CG2 3.4Å; E572-N582 WeakPolarHBondContact CA-O 3.5Å; E572-F583 HydrophobicContact CB-CD1 4.15Å; E572-F583 HydrophobicContact CB-CE1 4.06Å; E572-F583 HydrophobicContact CG-CE1 4.37Å
573	I	81.9	Confident	70.1	Confident	26 Å²	26	66.2 Å²	66.2	13%	0.133	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.8	179.3	46.5	163.9	0	0	0	110.4	T551 I552 V575 N582 R584	T551-I573 CarbonylContact O-C 3.56Å; T551-I573 WeakPolarHBondContact O-CA 3.47Å; I552-I573 HydrophobicContact CG1-CG2 4.27Å; I573-V575 HydrophobicContact CD1-CG2 4.33Å; I573-V575 PolarHBondContact O-N 3.47Å; I573-N582 HydrophobicContact CD1-CB 3.73Å; I573-N582 HydrophobicContact CG1-CB 3.55Å; I573-N582 VanDerWaalsContact CG1-O 3.23Å; I573-N582 WeakPolarHBondContact CG1-O 3.07Å; I573-N582 PolarHBondContact N-O 3.12Å; I573-R584 HydrophobicContact CG2-CB 4.07Å
574	N	69	Low	70.3	Confident	101 Å²	101	66.6 Å²	66.6	54%	0.54	36%	0.358	S	S	.	.			trans	-75.1	113.6	171	-76.4	-3.8	0	0	0	108.5	T551	T551-N574 PolarHBondContact O-N 3.22Å
575	V	59.2	Low	70.4	Confident	72 Å²	72	66.1 Å²	66.1	44%	0.436	35%	0.347	S	S	.	.			trans	-103.9	118.3	168.7	-174.8	0	0	0	0	106.9	I573 N577 N582	I573-V575 HydrophobicContact CD1-CG2 4.33Å; I573-V575 PolarHBondContact O-N 3.47Å; V575-N577 PolarHBondContact O-N 2.94Å; V575-N577 VanDerWaalsContact O-N 3.15Å; V575-N582 HydrophobicContact CG2-CB 4.12Å; V575-N582 WeakPolarHBondContact CG2-ND2 3.33Å
576	T	49.9	Very low	70.1	Confident	131 Å²	131	63.3 Å²	63.3	80%	0.804	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	116.6	170.6	45.1	0	0	0	0	108
577	N	48.3	Very low	69.3	Low	170 Å²	170	65.2 Å²	65.2	91%	0.909	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	37.4	176.7	-52.5	-18.1	0	0	0	119	V575	V575-N577 PolarHBondContact O-N 2.94Å; V575-N577 VanDerWaalsContact O-N 3.15Å
578	A	39.1	Very low	69.1	Low	48 Å²	48	67.4 Å²	67.4	40%	0.397	37%	0.369	S	S	.	.			trans	-141	129.6	168.3	0	0	0	0	0	113.3	S580	A578-S580 PolarHBondContact O-N 3.41Å
579	D	50.7	Low	69.1	Low	188 Å²	188	71.6 Å²	71.6	100%	1.005	38%	0.384	S	S	*	.	S	Bend	trans	-64.1	5.4	169.7	-69.2	-33.5	0	0	0	113.6
580	S	52.7	Low	69.3	Low	66 Å²	66	71.7 Å²	71.7	46%	0.462	39%	0.385	S	S	.	.	S	Bend	trans	-114	122.2	-176	65.7	0	0	0	0	111.5	A578 N582	A578-S580 PolarHBondContact O-N 3.41Å; S580-N582 PolarHBondContact O-N 3.47Å; S580-N582 PolarHBondContact O-ND2 3.49Å
581	I	61.4	Low	69.6	Low	106 Å²	106	72.3 Å²	72.3	54%	0.544	39%	0.391	S	S	.	.			trans	-62.7	120.2	168.7	-59.9	172.9	0	0	0	108.8	E572 F583	E572-I581 HydrophobicContact CG-CG2 3.61Å; E572-I581 VanDerWaalsContact OE1-CG2 3.26Å; E572-I581 WeakPolarHBondContact OE1-CG2 3.4Å; I581-F583 HydrophobicContact CB-CE2 4.49Å; I581-F583 HydrophobicContact CB-CZ 4.33Å; I581-F583 HydrophobicContact CG2-CE1 3.74Å; I581-F583 HydrophobicContact CG2-CE2 3.88Å; I581-F583 HydrophobicContact CG2-CZ 3.39Å
582	N	68.3	Low	69.9	Low	57 Å²	57	74.4 Å²	74.4	31%	0.305	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	144.6	178.8	-78.3	-56.4	0	0	0	110.6	E572 I573 V575 S580	E572-N582 WeakPolarHBondContact CA-O 3.5Å; I573-N582 HydrophobicContact CD1-CB 3.73Å; I573-N582 HydrophobicContact CG1-CB 3.55Å; I573-N582 VanDerWaalsContact CG1-O 3.23Å; I573-N582 WeakPolarHBondContact CG1-O 3.07Å; I573-N582 PolarHBondContact N-O 3.12Å; V575-N582 HydrophobicContact CG2-CB 4.12Å; V575-N582 WeakPolarHBondContact CG2-ND2 3.33Å; S580-N582 PolarHBondContact O-N 3.47Å; S580-N582 PolarHBondContact O-ND2 3.49Å
583	F	75.2	Confident	70.2	Confident	80 Å²	80	72.8 Å²	72.8	35%	0.351	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.4	-177.5	-63.1	-70.2	0	0	0	111.1	V557 L559 F570 C571 E572 I581	V557-F583 HydrophobicContact CB-CE1 4.36Å; V557-F583 HydrophobicContact CG1-CE1 4.21Å; V557-F583 HydrophobicContact CG2-CD1 3.56Å; V557-F583 HydrophobicContact CG2-CE1 3.24Å; V557-F583 HydrophobicContact CG2-CG 4.45Å; V557-F583 HydrophobicContact CG2-CZ 3.89Å; L559-F583 HydrophobicContact CD2-CE2 4.47Å; F570-F583 HydrophobicContact CB-CB 4.04Å; F570-F583 HydrophobicContact CB-CD1 4.19Å; F570-F583 HydrophobicContact CB-CG 4.31Å; F570-F583 HydrophobicContact CD1-CB 4.05Å; F570-F583 HydrophobicContact CG-CB 4.38Å; C571-F583 CarbonylContact O-C 3.54Å; C571-F583 WeakPolarHBondContact O-CA 3.23Å; E572-F583 HydrophobicContact CB-CD1 4.15Å; E572-F583 HydrophobicContact CB-CE1 4.06Å; E572-F583 HydrophobicContact CG-CE1 4.37Å; I581-F583 HydrophobicContact CB-CE2 4.49Å; I581-F583 HydrophobicContact CB-CZ 4.33Å; I581-F583 HydrophobicContact CG2-CE1 3.74Å; I581-F583 HydrophobicContact CG2-CE2 3.88Å; I581-F583 HydrophobicContact CG2-CZ 3.39Å
584	R	74.1	Confident	70.8	Confident	92 Å²	92	71.6 Å²	71.6	35%	0.347	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	134.6	174.2	-164.4	-178.3	-76.6	171.7	5.2	109.8	D549 C571 I573 F586	D549-R584 IonicContact OD2-CZ 2.88Å; D549-R584 IonicContact OD2-NH1 3.88Å; D549-R584 PolarHBondContact OD2-NH1 2.95Å; C571-R584 PolarHBondContact N-O 3.46Å; C571-R584 PolarHBondContact O-N 3.39Å; I573-R584 HydrophobicContact CG2-CB 4.07Å; R584-F586 HydrophobicContact CB-CE2 4.16Å; R584-F586 HydrophobicContact CB-CZ 4.34Å; R584-F586 HydrophobicContact CG-CE1 4.31Å; R584-F586 HydrophobicContact CG-CE2 4.15Å; R584-F586 HydrophobicContact CG-CZ 3.95Å
585	F	72.3	Confident	71.9	Confident	67 Å²	67	68.1 Å²	68.1	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	125.7	177.3	175.9	-112.3	0	0	0	109.5	K568 V569 F570 D588 W589	K568-F585 HydrophobicContact CB-CD2 3.9Å; K568-F585 HydrophobicContact CB-CE2 3.58Å; K568-F585 HydrophobicContact CB-CZ 4.41Å; K568-F585 HydrophobicContact CD-CD2 4.19Å; K568-F585 HydrophobicContact CD-CE1 4.43Å; K568-F585 HydrophobicContact CD-CE2 3.92Å; K568-F585 HydrophobicContact CD-CZ 4.05Å; K568-F585 HydrophobicContact CG-CD2 4.3Å; K568-F585 HydrophobicContact CG-CE2 3.7Å; K568-F585 HydrophobicContact CG-CZ 4.03Å; V569-F585 WeakPolarHBondContact O-CD2 3.02Å; F570-F585 HydrophobicContact CD1-CB 4.01Å; F570-F585 HydrophobicContact CE1-CB 3.91Å; F585-D588 WeakPolarHBondContact CE2-O 2.83Å; F585-W589 HydrophobicContact CE1-CZ2 4.42Å; F585-W589 HydrophobicContact CZ-CD2 4.33Å; F585-W589 AromaticContact CZ-CE2 3.88Å; F585-W589 HydrophobicContact CZ-CH2 4.33Å; F585-W589 AromaticContact CZ-CZ2 3.88Å; F585-W589 HydrophobicContact CZ-CZ2 3.88Å
586	F	72.1	Confident	73.5	Confident	58 Å²	58	64.8 Å²	64.8	25%	0.254	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	4.3	-175.9	-70.5	-77.5	0	0	0	114.7	H543 L547 I552 C571 R584 D588	H543-F586 HydrophobicContact CB-CD2 4.27Å; H543-F586 HydrophobicContact CB-CE2 4.33Å; H543-F586 WeakPolarHBondContact CE1-CB 3.23Å; H543-F586 AromaticContact CE1-CG 3.97Å; H543-F586 AromaticContact CG-CD2 3.94Å; H543-F586 AromaticContact ND1-CG 3.69Å; L547-F586 HydrophobicContact CD1-CD1 3.87Å; L547-F586 HydrophobicContact CD1-CE1 3.35Å; L547-F586 HydrophobicContact CD1-CZ 3.89Å; I552-F586 HydrophobicContact CD1-CE1 4.32Å; I552-F586 HydrophobicContact CD1-CE2 3.86Å; I552-F586 HydrophobicContact CD1-CZ 3.38Å; I552-F586 HydrophobicContact CG1-CE2 4.42Å; I552-F586 HydrophobicContact CG1-CZ 4.09Å; C571-F586 HydrophobicContact CB-CD2 4.15Å; C571-F586 HydrophobicContact CB-CE2 3.86Å; R584-F586 HydrophobicContact CB-CE2 4.16Å; R584-F586 HydrophobicContact CB-CZ 4.34Å; R584-F586 HydrophobicContact CG-CE1 4.31Å; R584-F586 HydrophobicContact CG-CE2 4.15Å; R584-F586 HydrophobicContact CG-CZ 3.95Å; F586-D588 WeakPolarHBondContact CB-OD2 3.31Å
587	G	68.4	Low	75.3	Confident	39 Å²	39	60.3 Å²	60.3	40%	0.402	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	100.8	3	-178.5	0	0	0	0	0	114.3	W589	G587-W589 PolarHBondContact O-NE1 2.63Å
588	D	83.2	Confident	77.2	Confident	47 Å²	47	59.7 Å²	59.7	25%	0.251	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	136.1	-176.5	-51.6	-89.1	0	0	0	112	I539 H543 V569 F585 F586	I539-D588 HydrophobicContact CD1-CB 4.44Å; I539-D588 HydrophobicContact CG2-CB 3.84Å; H543-D588 IonicContact CD2-OD2 3.08Å; H543-D588 IonicContact CE1-OD1 3.62Å; H543-D588 IonicContact CE1-OD2 3.81Å; H543-D588 PolarHBondContact CE1-OD2 3.18Å; H543-D588 VanDerWaalsContact NE2-CG 3.28Å; H543-D588 IonicContact NE2-OD1 3.42Å; H543-D588 IonicContact NE2-OD2 2.89Å; H543-D588 PolarHBondContact NE2-OD2 3.33Å; V569-D588 HydrophobicContact CB-CB 4.13Å; V569-D588 WeakPolarHBondContact CB-O 3.31Å; V569-D588 HydrophobicContact CG2-CB 4.33Å; V569-D588 PolarHBondContact N-O 3.08Å; F585-D588 WeakPolarHBondContact CE2-O 2.83Å; F586-D588 WeakPolarHBondContact CB-OD2 3.31Å
589	W	85.1	Confident	79.7	Confident	100 Å²	100	62.6 Å²	62.6	38%	0.379	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.3	-174	-56.2	86.2	0	0	0	110.6	C567 K568 F585 G587 G605	C567-W589 WeakPolarHBondContact O-CA 3.43Å; K568-W589 HydrophobicContact CD-CH2 4.34Å; K568-W589 HydrophobicContact CD-CZ3 4.08Å; K568-W589 VanDerWaalsContact CE-CH2 3.47Å; K568-W589 HydrophobicContact CG-CE3 3.66Å; K568-W589 HydrophobicContact CG-CH2 4.07Å; K568-W589 HydrophobicContact CG-CZ3 3.38Å; F585-W589 HydrophobicContact CE1-CZ2 4.42Å; F585-W589 HydrophobicContact CZ-CD2 4.33Å; F585-W589 AromaticContact CZ-CE2 3.88Å; F585-W589 HydrophobicContact CZ-CH2 4.33Å; F585-W589 AromaticContact CZ-CZ2 3.88Å; F585-W589 HydrophobicContact CZ-CZ2 3.88Å; G587-W589 PolarHBondContact O-NE1 2.63Å; W589-G605 WeakPolarHBondContact CZ3-O 3.34Å
590	M	89.8	Confident	81.7	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.015	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-64.9	137.4	167.8	-66.5	-67.1	-67.3	0	0	109.1	I481 A532 Y535 T536 Q558 C567 V569 C602	I481-M590 HydrophobicContact CD1-CE 3.71Å; A532-M590 HydrophobicContact CB-CE 3.89Å; Y535-M590 HydrophobicContact CD1-CE 4.4Å; Y535-M590 HydrophobicContact CD1-SD 3.96Å; Y535-M590 HydrophobicContact CE1-SD 4.36Å; T536-M590 HydrophobicContact CG2-SD 3.58Å; T536-M590 VanDerWaalsContact CG2-SD 3.58Å; Q558-M590 HydrophobicContact CG-CG 4.19Å; C567-M590 PolarHBondContact O-N 3.28Å; V569-M590 HydrophobicContact CG2-CG 4.42Å; V569-M590 HydrophobicContact CG2-SD 4.13Å; M590-C602 HydrophobicContact CB-CB 4.37Å
591	P	91	Very high	83.6	Confident	32 Å²	32	55.1 Å²	55.1	21%	0.208	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-53.5	148.1	176	-27.6	34	0	0	0	112.4	P479 I481 Y535 G593 S594	P479-P591 HydrophobicContact CB-CB 3.53Å; P479-P591 HydrophobicContact CB-CG 4.25Å; P479-P591 HydrophobicContact CG-CB 4.49Å; I481-P591 HydrophobicContact CD1-CG 3.97Å; Y535-P591 HydrophobicContact CE1-CG 4.01Å; Y535-P591 HydrophobicContact CE2-CG 4.17Å; Y535-P591 WeakPolarHBondContact OH-CG 3.37Å; P591-G593 PolarHBondContact O-N 3.26Å; P591-S594 WeakPolarHBondContact CD-OG 3.39Å; P591-S594 WeakPolarHBondContact O-CB 3.4Å; P591-S594 PolarHBondContact O-N 3.41Å; P591-S594 PolarHBondContact O-OG 3.4Å
592	D	91.4	Very high	85.1	Confident	46 Å²	46	50 Å²	50	25%	0.246	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.3	174	-68.6	-24.1	0	0	0	110	P479 V487 K489 C602 I603 N604	P479-D592 WeakPolarHBondContact CG-O 3.47Å; V487-D592 HydrophobicContact CG2-CB 3.93Å; K489-D592 VanDerWaalsContact CD-OD2 3.29Å; K489-D592 WeakPolarHBondContact CD-OD2 3.43Å; K489-D592 VanDerWaalsContact CE-OD2 3.24Å; K489-D592 WeakPolarHBondContact CE-OD2 3.19Å; K489-D592 IonicContact NZ-OD2 2.88Å; K489-D592 PolarHBondContact NZ-OD2 2.91Å; D592-C602 CarbonylContact C-O 3.44Å; D592-C602 VanDerWaalsContact CA-O 3.26Å; D592-C602 WeakPolarHBondContact CA-O 3.24Å; D592-I603 HydrophobicContact CB-CD1 3.99Å; D592-I603 WeakPolarHBondContact OD1-CA 3.22Å; D592-N604 PolarHBondContact OD1-N 3.47Å
593	G	92	Very high	86	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-2.3	-175.1	0	0	0	0	0	115.2	S484 I485 P591 Y601 C602	S484-G593 WeakPolarHBondContact CA-O 3.43Å; S484-G593 WeakPolarHBondContact CB-O 3.33Å; I485-G593 PolarHBondContact N-O 3.07Å; I485-G593 VanDerWaalsContact O-CA 3.32Å; I485-G593 WeakPolarHBondContact O-CA 3.31Å; P591-G593 PolarHBondContact O-N 3.26Å; G593-Y601 WeakPolarHBondContact O-CD1 3.31Å; G593-C602 PolarHBondContact N-O 3.48Å
594	S	93.1	Very high	86	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.			trans	-71.4	144	173.8	-54.5	0	0	0	0	111.6	I481 P591 Y601 C602	I481-S594 VanDerWaalsContact CD1-OG 3.28Å; I481-S594 WeakPolarHBondContact CD1-OG 3.14Å; P591-S594 WeakPolarHBondContact CD-OG 3.39Å; P591-S594 WeakPolarHBondContact O-CB 3.4Å; P591-S594 PolarHBondContact O-N 3.41Å; P591-S594 PolarHBondContact O-OG 3.4Å; S594-Y601 CarbonylContact O-C 3.48Å; S594-Y601 VanDerWaalsContact O-CA 3.29Å; S594-Y601 WeakPolarHBondContact O-CA 3.36Å; S594-C602 PolarHBondContact O-N 3.13Å
595	P	92.7	Very high	86.2	Confident	29 Å²	29	42.3 Å²	42.3	19%	0.188	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	140.7	177.3	29	-35.2	0	0	0	111.2	I481 Q558 Y601	I481-P595 HydrophobicContact CG2-CG 4.44Å; Q558-P595 PolarHBondContact NE2-O 3.39Å; P595-Y601 HydrophobicContact CB-CD1 4.49Å; P595-Y601 HydrophobicContact CB-CE1 4.42Å
596	C	92.2	Very high	86.6	Confident	2 Å²	2	43.9 Å²	43.9	1%	0.014	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	1.5	177.3	61.4	0	0	0	0	113.7	T560 A566 H600 Y601 C602 C607	T560-C596 WeakPolarHBondContact CB-O 3.32Å; T560-C596 WeakPolarHBondContact CG2-O 3.33Å; A566-C596 HydrophobicContact CB-CB 3.87Å; C596-H600 PolarHBondContact N-O 3.3Å; C596-H600 PolarHBondContact SG-O 3.26Å; C596-Y601 VanDerWaalsContact SG-CA 3.56Å; C596-Y601 PolarHBondContact SG-N 2.58Å; C596-Y601 VanDerWaalsContact SG-N 3.37Å; C596-C602 VanDerWaalsContact CB-SG 3.57Å; C596-C607 HydrophobicContact CB-CB 3.89Å; C596-C607 WeakPolarHBondContact CB-SG 3.32Å; C596-C607 WeakPolarHBondContact SG-CA 3.38Å; C596-C607 WeakPolarHBondContact SG-CB 3.08Å; C596-C607 CovalentContact SG-SG 2.03Å; C596-C607 PolarHBondContact SG-SG 2.86Å
597	G	88.5	Confident	87.4	Confident	36 Å²	36	41.8 Å²	41.8	37%	0.371	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	179.6	175.3	0	0	0	0	0	109.6	N599 H600	G597-N599 PolarHBondContact O-N 2.02Å; G597-H600 PolarHBondContact O-N 3.49Å; G597-H600 VanDerWaalsContact O-N 3.1Å
598	D	88.7	Confident	88.4	Confident	157 Å²	157	40.2 Å²	40.2	84%	0.84	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	120	177.3	-63.2	-26.5	0	0	0	110	H600	D598-H600 PolarHBondContact O-N 3.38Å; D598-H600 VanDerWaalsContact O-N 3.16Å; D598-H600 PolarHBondContact O-ND1 2.96Å
599	N	90.2	Very high	88.9	Confident	109 Å²	109	39.9 Å²	39.9	58%	0.583	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	31.4	-171.9	-68.2	-18.8	0	0	0	114.2	G597 L610	G597-N599 PolarHBondContact O-N 2.02Å; N599-L610 WeakPolarHBondContact O-CB 3.39Å; N599-L610 PolarHBondContact O-N 3.31Å
600	H	93	Very high	89.2	Confident	67 Å²	67	36.8 Å²	36.8	31%	0.31	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.6	175.3	-71.2	66.7	0	0	0	111.8	C596 G597 D598 C607 L608	C596-H600 PolarHBondContact N-O 3.3Å; C596-H600 PolarHBondContact SG-O 3.26Å; G597-H600 PolarHBondContact O-N 3.49Å; G597-H600 VanDerWaalsContact O-N 3.1Å; D598-H600 PolarHBondContact O-N 3.38Å; D598-H600 VanDerWaalsContact O-N 3.16Å; D598-H600 PolarHBondContact O-ND1 2.96Å; H600-C607 VanDerWaalsContact CB-SG 3.58Å; H600-L608 CarbonylContact C-O 3.58Å; H600-L608 VanDerWaalsContact CA-O 3.23Å; H600-L608 WeakPolarHBondContact CA-O 3.36Å
601	Y	93.9	Very high	89.2	Confident	30 Å²	30	39.5 Å²	39.5	12%	0.118	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.6	-173.3	-59.5	-86.8	0	0	0	112.6	S483 I485 G593 S594 P595 C596 L608 L610 L617	S483-Y601 WeakPolarHBondContact O-CE1 3.35Å; I485-Y601 HydrophobicContact CB-CE1 4.32Å; I485-Y601 HydrophobicContact CD1-CD1 3.82Å; I485-Y601 HydrophobicContact CD1-CD2 3.5Å; I485-Y601 VanDerWaalsContact CD1-CD2 3.5Å; I485-Y601 HydrophobicContact CD1-CE1 4.11Å; I485-Y601 HydrophobicContact CD1-CE2 3.83Å; I485-Y601 HydrophobicContact CD1-CG 3.48Å; I485-Y601 VanDerWaalsContact CD1-CG 3.48Å; I485-Y601 HydrophobicContact CG1-CD1 3.56Å; I485-Y601 HydrophobicContact CG1-CD2 4.21Å; I485-Y601 HydrophobicContact CG1-CE1 3.81Å; I485-Y601 HydrophobicContact CG1-CE2 4.43Å; I485-Y601 HydrophobicContact CG1-CG 3.75Å; I485-Y601 HydrophobicContact CG2-CD1 4.37Å; I485-Y601 HydrophobicContact CG2-CE1 3.72Å; I485-Y601 HydrophobicContact CG2-CE2 4.37Å; G593-Y601 WeakPolarHBondContact O-CD1 3.31Å; S594-Y601 CarbonylContact O-C 3.48Å; S594-Y601 VanDerWaalsContact O-CA 3.29Å; S594-Y601 WeakPolarHBondContact O-CA 3.36Å; P595-Y601 HydrophobicContact CB-CD1 4.49Å; P595-Y601 HydrophobicContact CB-CE1 4.42Å; C596-Y601 VanDerWaalsContact SG-CA 3.56Å; C596-Y601 PolarHBondContact SG-N 2.58Å; C596-Y601 VanDerWaalsContact SG-N 3.37Å; Y601-L608 PolarHBondContact N-O 2.88Å; Y601-L608 PolarHBondContact O-N 3Å; Y601-L610 HydrophobicContact CD2-CB 4.22Å; Y601-L610 HydrophobicContact CE2-CB 4.05Å; Y601-L610 HydrophobicContact CE2-CD2 4.13Å; Y601-L617 HydrophobicContact CD2-CD2 3.8Å; Y601-L617 HydrophobicContact CG-CD2 4.37Å
602	C	91.5	Very high	89.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.8	-177.7	-67.4	0	0	0	0	112.7	C567 M590 D592 G593 S594 C596 K606	C567-C602 WeakPolarHBondContact CA-SG 3.29Å; C567-C602 HydrophobicContact CB-CB 3.78Å; C567-C602 WeakPolarHBondContact CB-SG 3.38Å; C567-C602 WeakPolarHBondContact SG-CA 3.06Å; C567-C602 WeakPolarHBondContact SG-CB 3.3Å; C567-C602 CovalentContact SG-SG 2.03Å; C567-C602 PolarHBondContact SG-SG 3.1Å; M590-C602 HydrophobicContact CB-CB 4.37Å; D592-C602 CarbonylContact C-O 3.44Å; D592-C602 VanDerWaalsContact CA-O 3.26Å; D592-C602 WeakPolarHBondContact CA-O 3.24Å; G593-C602 PolarHBondContact N-O 3.48Å; S594-C602 PolarHBondContact O-N 3.13Å; C596-C602 VanDerWaalsContact CB-SG 3.57Å; C602-K606 CarbonylContact C-O 3.55Å; C602-K606 WeakPolarHBondContact CA-O 3.36Å
603	I	87.4	Confident	89.1	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	122.2	168.5	-66	-64.5	0	0	0	109.6	V487 K489 A513 D592 G605 K606 L608 L617	V487-I603 HydrophobicContact CB-CD1 3.94Å; V487-I603 HydrophobicContact CG1-CD1 4.31Å; V487-I603 HydrophobicContact CG2-CD1 3.56Å; K489-I603 HydrophobicContact CD-CG2 4.34Å; K489-I603 HydrophobicContact CG-CG2 4.37Å; A513-I603 HydrophobicContact CB-CD1 3.3Å; A513-I603 HydrophobicContact CB-CG1 3.56Å; A513-I603 HydrophobicContact CB-CG2 4.33Å; D592-I603 HydrophobicContact CB-CD1 3.99Å; D592-I603 WeakPolarHBondContact OD1-CA 3.22Å; I603-G605 PolarHBondContact O-N 3.23Å; I603-G605 VanDerWaalsContact O-N 3.11Å; I603-K606 PolarHBondContact N-O 3.22Å; I603-K606 PolarHBondContact O-N 2.86Å; I603-L608 HydrophobicContact CB-CD1 4.01Å; I603-L608 HydrophobicContact CG1-CD1 4.28Å; I603-L608 HydrophobicContact CG2-CD1 4.47Å; I603-L617 HydrophobicContact CD1-CD1 3.92Å; I603-L617 HydrophobicContact CG1-CB 4.39Å; I603-L617 HydrophobicContact CG1-CD1 3.5Å; I603-L617 VanDerWaalsContact CG1-CD1 3.5Å
604	N	76.1	Confident	88.9	Confident	57 Å²	57	50.2 Å²	50.2	31%	0.305	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	40.4	-178.4	-76.8	-11.6	0	0	0	111.9	K489 H511 D592 K606	K489-N604 WeakPolarHBondContact CD-OD1 3.26Å; K489-N604 PolarHBondContact NZ-OD1 3.1Å; H511-N604 PolarHBondContact CD2-ND2 3.2Å; D592-N604 PolarHBondContact OD1-N 3.47Å; N604-K606 VanDerWaalsContact C-N 3.29Å; N604-K606 PolarHBondContact O-N 3.15Å
605	G	77.9	Confident	88.7	Confident	6 Å²	6	51.3 Å²	51.3	6%	0.062	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	5.5	-179.9	0	0	0	0	0	116.2	C567 W589 I603	C567-G605 WeakPolarHBondContact CB-O 3.43Å; W589-G605 WeakPolarHBondContact CZ3-O 3.34Å; I603-G605 PolarHBondContact O-N 3.23Å; I603-G605 VanDerWaalsContact O-N 3.11Å
606	K	80.9	Confident	88.8	Confident	99 Å²	99	49.9 Å²	49.9	43%	0.43	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	140.2	174.3	-61.1	-172.2	-176	177.9	0	110.8	C602 I603 N604 L608 F619	C602-K606 CarbonylContact C-O 3.55Å; C602-K606 WeakPolarHBondContact CA-O 3.36Å; I603-K606 PolarHBondContact N-O 3.22Å; I603-K606 PolarHBondContact O-N 2.86Å; N604-K606 VanDerWaalsContact C-N 3.29Å; N604-K606 PolarHBondContact O-N 3.15Å; K606-L608 HydrophobicContact CB-CD2 4.36Å; K606-F619 HydrophobicContact CD-CE2 3.69Å; K606-F619 HydrophobicContact CD-CZ 4.15Å
607	C	88.3	Confident	88.8	Confident	15 Å²	15	49.8 Å²	49.8	10%	0.101	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	111.4	176.1	-172.4	0	0	0	0	109.4	S563 A566 C596 H600	S563-C607 WeakPolarHBondContact O-CB 3Å; A566-C607 HydrophobicContact CB-CB 3.99Å; C596-C607 HydrophobicContact CB-CB 3.89Å; C596-C607 WeakPolarHBondContact CB-SG 3.32Å; C596-C607 WeakPolarHBondContact SG-CA 3.38Å; C596-C607 WeakPolarHBondContact SG-CB 3.08Å; C596-C607 CovalentContact SG-SG 2.03Å; C596-C607 PolarHBondContact SG-SG 2.86Å; H600-C607 VanDerWaalsContact CB-SG 3.58Å
608	L	90.2	Very high	88.9	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.6	-174.8	-60.2	-175.7	0	0	0	111	H600 Y601 I603 K606 L617 F619	H600-L608 CarbonylContact C-O 3.58Å; H600-L608 VanDerWaalsContact CA-O 3.23Å; H600-L608 WeakPolarHBondContact CA-O 3.36Å; Y601-L608 PolarHBondContact N-O 2.88Å; Y601-L608 PolarHBondContact O-N 3Å; I603-L608 HydrophobicContact CB-CD1 4.01Å; I603-L608 HydrophobicContact CG1-CD1 4.28Å; I603-L608 HydrophobicContact CG2-CD1 4.47Å; K606-L608 HydrophobicContact CB-CD2 4.36Å; L608-L617 HydrophobicContact CB-CB 3.96Å; L608-L617 HydrophobicContact CD1-CB 4.18Å; L608-F619 HydrophobicContact CD2-CD1 4.32Å; L608-F619 HydrophobicContact CD2-CD2 3.29Å; L608-F619 HydrophobicContact CD2-CE1 4.21Å; L608-F619 HydrophobicContact CD2-CE2 3.15Å; L608-F619 HydrophobicContact CD2-CG 3.9Å; L608-F619 HydrophobicContact CD2-CZ 3.64Å
609	P	92.2	Very high	88.6	Confident	40 Å²	40	46.3 Å²	46.3	26%	0.26	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	146.9	173.6	29.3	-34	0	0	0	110.9	L617 V618	P609-L617 WeakPolarHBondContact O-CA 3.4Å; P609-V618 WeakPolarHBondContact CD-O 3.45Å; P609-V618 WeakPolarHBondContact CG-O 3.41Å
610	L	92.5	Very high	88.3	Confident	34 Å²	34	44.7 Å²	44.7	18%	0.178	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	117.4	162.8	-176.7	65.2	0	0	0	108.9	V515 N599 Y601 D614 L617	V515-L610 HydrophobicContact CG2-CD1 3.67Å; N599-L610 WeakPolarHBondContact O-CB 3.39Å; N599-L610 PolarHBondContact O-N 3.31Å; Y601-L610 HydrophobicContact CD2-CB 4.22Å; Y601-L610 HydrophobicContact CE2-CB 4.05Å; Y601-L610 HydrophobicContact CE2-CD2 4.13Å; L610-D614 HydrophobicContact CD1-CB 4.35Å; L610-D614 HydrophobicContact CD2-CB 3.97Å; L610-D614 HydrophobicContact CG-CB 4.14Å; L610-L617 HydrophobicContact CB-CD2 4Å; L610-L617 HydrophobicContact CD1-CD2 3.79Å
611	D	90.3	Very high	88	Confident	60 Å²	60	45.3 Å²	45.3	32%	0.321	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	-166.2	-173.8	-157.1	-17	0	0	0	109.6	R613 D614 S615 A616 V618	D611-R613 VanDerWaalsContact C-N 3.34Å; D611-R613 PolarHBondContact O-N 2.9Å; D611-D614 WeakPolarHBondContact O-CA 3.47Å; D611-D614 PolarHBondContact O-N 3.14Å; D611-S615 PolarHBondContact O-N 3.15Å; D611-A616 CarbonylContact C-O 3.42Å; D611-A616 PolarHBondContact N-O 2.83Å; D611-A616 PolarHBondContact O-N 3.17Å; D611-V618 HydrophobicContact CB-CG2 3.82Å
612	C	91	Very high	87.6	Confident	16 Å²	16	48 Å²	48	11%	0.108	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	41.5	176.6	-45	0	0	0	0	112.3	D614 S615 A616 C624	C612-D614 VanDerWaalsContact C-N 3.31Å; C612-D614 PolarHBondContact O-N 3.39Å; C612-S615 VanDerWaalsContact CB-OG 3.24Å; C612-S615 WeakPolarHBondContact CB-OG 3.44Å; C612-S615 VanDerWaalsContact O-CB 3.31Å; C612-S615 WeakPolarHBondContact O-CB 3.14Å; C612-S615 PolarHBondContact O-N 3.42Å; C612-S615 PolarHBondContact O-OG 3.15Å; C612-A616 HydrophobicContact CB-CB 4.11Å; C612-C624 HydrophobicContact CB-CB 3.75Å; C612-C624 WeakPolarHBondContact CB-SG 3.27Å; C612-C624 WeakPolarHBondContact SG-CA 3.19Å; C612-C624 WeakPolarHBondContact SG-CB 3.36Å; C612-C624 CovalentContact SG-SG 2.02Å; C612-C624 PolarHBondContact SG-SG 3.45Å
613	R	88.4	Confident	87.5	Confident	222 Å²	222	48.1 Å²	48.1	84%	0.838	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	43.2	-172.2	-52.8	177.5	-176.4	164.7	0.8	112.4	R518 D611 S615	R518-R613 PolarHBondContact NH2-O 3.34Å; D611-R613 VanDerWaalsContact C-N 3.34Å; D611-R613 PolarHBondContact O-N 2.9Å; R613-S615 PolarHBondContact O-N 3.25Å
614	D	87.9	Confident	87.7	Confident	66 Å²	66	49.8 Å²	49.8	35%	0.353	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	28.3	-177	-45.5	-40.4	0	0	0	114.3	R518 L610 D611 C612	R518-D614 IonicContact CZ-OD2 3.02Å; R518-D614 IonicContact NH1-OD2 2.82Å; R518-D614 PolarHBondContact NH1-OD2 3.43Å; R518-D614 PolarHBondContact NH2-O 2.86Å; L610-D614 HydrophobicContact CD1-CB 4.35Å; L610-D614 HydrophobicContact CD2-CB 3.97Å; L610-D614 HydrophobicContact CG-CB 4.14Å; D611-D614 WeakPolarHBondContact O-CA 3.47Å; D611-D614 PolarHBondContact O-N 3.14Å; C612-D614 VanDerWaalsContact C-N 3.31Å; C612-D614 PolarHBondContact O-N 3.39Å
615	S	89.8	Confident	88.4	Confident	22 Å²	22	47.8 Å²	47.8	15%	0.154	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-16.2	178.9	69.2	0	0	0	0	113.4	V515 D611 C612 R613	V515-S615 WeakPolarHBondContact CB-O 3.26Å; V515-S615 PolarHBondContact N-O 2.93Å; D611-S615 PolarHBondContact O-N 3.15Å; C612-S615 VanDerWaalsContact CB-OG 3.24Å; C612-S615 WeakPolarHBondContact CB-OG 3.44Å; C612-S615 VanDerWaalsContact O-CB 3.31Å; C612-S615 WeakPolarHBondContact O-CB 3.14Å; C612-S615 PolarHBondContact O-N 3.42Å; C612-S615 PolarHBondContact O-OG 3.15Å; R613-S615 PolarHBondContact O-N 3.25Å
616	A	93.1	Very high	88.9	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	160.1	-178.1	0	0	0	0	0	113.8	A513 D611 C612 V618 P625	A513-A616 CarbonylContact O-C 3.56Å; A513-A616 WeakPolarHBondContact O-CA 3.27Å; A513-A616 VanDerWaalsContact O-CB 3.3Å; A513-A616 WeakPolarHBondContact O-CB 3.41Å; D611-A616 CarbonylContact C-O 3.42Å; D611-A616 PolarHBondContact N-O 2.83Å; D611-A616 PolarHBondContact O-N 3.17Å; C612-A616 HydrophobicContact CB-CB 4.11Å; A616-V618 HydrophobicContact CB-CG1 4.19Å; A616-P625 HydrophobicContact CB-CG 3.8Å
617	L	92.7	Very high	89	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	114.2	167.4	-51	177.8	0	0	0	108.5	I485 V487 A513 Y601 I603 L608 P609 L610	I485-L617 HydrophobicContact CD1-CD1 4.16Å; I485-L617 HydrophobicContact CD1-CD2 4.02Å; I485-L617 HydrophobicContact CD1-CG 4.36Å; V487-L617 HydrophobicContact CG1-CD1 3.82Å; V487-L617 HydrophobicContact CG1-CG 4.44Å; A513-L617 HydrophobicContact CB-CB 4.17Å; A513-L617 HydrophobicContact CB-CD1 4.27Å; A513-L617 HydrophobicContact CB-CG 4.44Å; A513-L617 PolarHBondContact N-O 3.37Å; A513-L617 VanDerWaalsContact N-O 3.09Å; A513-L617 PolarHBondContact O-N 3.47Å; Y601-L617 HydrophobicContact CD2-CD2 3.8Å; Y601-L617 HydrophobicContact CG-CD2 4.37Å; I603-L617 HydrophobicContact CD1-CD1 3.92Å; I603-L617 HydrophobicContact CG1-CB 4.39Å; I603-L617 HydrophobicContact CG1-CD1 3.5Å; I603-L617 VanDerWaalsContact CG1-CD1 3.5Å; L608-L617 HydrophobicContact CB-CB 3.96Å; L608-L617 HydrophobicContact CD1-CB 4.18Å; P609-L617 WeakPolarHBondContact O-CA 3.4Å; L610-L617 HydrophobicContact CB-CD2 4Å; L610-L617 HydrophobicContact CD1-CD2 3.79Å
618	V	90.4	Very high	88.8	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.006	32%	0.321	C	S	.	.			trans	-136.5	152.7	-175.5	-67.1	0	0	0	0	111	R512 P609 D611 A616 D623	R512-V618 HydrophobicContact CB-CG1 4.06Å; P609-V618 WeakPolarHBondContact CD-O 3.45Å; P609-V618 WeakPolarHBondContact CG-O 3.41Å; D611-V618 HydrophobicContact CB-CG2 3.82Å; A616-V618 HydrophobicContact CB-CG1 4.19Å; V618-D623 HydrophobicContact CB-CB 4.3Å; V618-D623 HydrophobicContact CG1-CB 4.05Å
619	F	82.3	Confident	88.6	Confident	119 Å²	119	62.3 Å²	62.3	52%	0.522	33%	0.334	S	S	.	.	S	Bend	trans	-80.9	-32.7	169.9	-102.6	-72.1	0	0	0	112.3	K606 L608	K606-F619 HydrophobicContact CD-CE2 3.69Å; K606-F619 HydrophobicContact CD-CZ 4.15Å; L608-F619 HydrophobicContact CD2-CD1 4.32Å; L608-F619 HydrophobicContact CD2-CD2 3.29Å; L608-F619 HydrophobicContact CD2-CE1 4.21Å; L608-F619 HydrophobicContact CD2-CE2 3.15Å; L608-F619 HydrophobicContact CD2-CG 3.9Å; L608-F619 HydrophobicContact CD2-CZ 3.64Å
620	N	84.6	Confident	88.3	Confident	74 Å²	74	61.7 Å²	61.7	40%	0.396	33%	0.331	S	S	.	.	S	Bend	trans	-132.2	132.9	-177.3	-172.2	-24.4	0	0	0	108.4	S622 D623	N620-S622 PolarHBondContact ND2-OG 2.79Å; N620-S622 PolarHBondContact O-N 3.39Å; N620-S622 PolarHBondContact OD1-N 2.78Å; N620-S622 VanDerWaalsContact OD1-N 3.13Å; N620-S622 PolarHBondContact OD1-OG 2.74Å; N620-D623 WeakPolarHBondContact O-CB 3.47Å; N620-D623 PolarHBondContact O-N 3.13Å
621	P	86.1	Confident	88.1	Confident	80 Å²	80	60.7 Å²	60.7	52%	0.519	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-51.4	-26	174.5	-30.1	35.3	0	0	0	114.8	D623 C624	P621-D623 PolarHBondContact O-N 3.19Å; P621-C624 WeakPolarHBondContact O-CB 3.04Å; P621-C624 PolarHBondContact O-N 3.42Å; P621-C624 PolarHBondContact O-SG 3.18Å
622	S	86.4	Confident	87.5	Confident	87 Å²	87	67.3 Å²	67.3	61%	0.608	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-65.4	-17.1	175.1	64.6	0	0	0	0	114.3	N620 C624	N620-S622 PolarHBondContact ND2-OG 2.79Å; N620-S622 PolarHBondContact O-N 3.39Å; N620-S622 PolarHBondContact OD1-N 2.78Å; N620-S622 VanDerWaalsContact OD1-N 3.13Å; N620-S622 PolarHBondContact OD1-OG 2.74Å; S622-C624 VanDerWaalsContact C-N 3.34Å
623	D	89.3	Confident	86.5	Confident	3 Å²	3	68.8 Å²	68.8	2%	0.016	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-91.3	2.3	-179	-65.7	-25.4	0	0	0	112.5	W468 R492 S509 R512 V618 N620 P621	W468-D623 HydrophobicContact CZ2-CB 4.03Å; R492-D623 IonicContact CZ-OD1 3.71Å; R492-D623 IonicContact NH1-OD1 2.82Å; R492-D623 PolarHBondContact NH1-OD1 3.23Å; R492-D623 IonicContact NH2-OD1 3.7Å; R492-D623 PolarHBondContact NH2-OD1 2.83Å; R492-D623 IonicContact NH2-OD2 2.73Å; R492-D623 PolarHBondContact NH2-OD2 3Å; S509-D623 WeakPolarHBondContact CB-OD2 3.38Å; S509-D623 PolarHBondContact N-OD2 3.49Å; R512-D623 WeakPolarHBondContact CD-O 3.19Å; R512-D623 PolarHBondContact NH1-O 3.05Å; V618-D623 HydrophobicContact CB-CB 4.3Å; V618-D623 HydrophobicContact CG1-CB 4.05Å; N620-D623 WeakPolarHBondContact O-CB 3.47Å; N620-D623 PolarHBondContact O-N 3.13Å; P621-D623 PolarHBondContact O-N 3.19Å
624	C	90.8	Very high	84.9	Confident	39 Å²	39	67 Å²	67	26%	0.264	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-55.6	139.7	178.3	-72.7	0	0	0	0	112.3	R512 C612 P621 S622	R512-C624 PolarHBondContact NH1-O 2.88Å; C612-C624 HydrophobicContact CB-CB 3.75Å; C612-C624 WeakPolarHBondContact CB-SG 3.27Å; C612-C624 WeakPolarHBondContact SG-CA 3.19Å; C612-C624 WeakPolarHBondContact SG-CB 3.36Å; C612-C624 CovalentContact SG-SG 2.02Å; C612-C624 PolarHBondContact SG-SG 3.45Å; P621-C624 WeakPolarHBondContact O-CB 3.04Å; P621-C624 PolarHBondContact O-N 3.42Å; P621-C624 PolarHBondContact O-SG 3.18Å; S622-C624 VanDerWaalsContact C-N 3.34Å
625	P	90.8	Very high	83.1	Confident	14 Å²	14	69.4 Å²	69.4	9%	0.091	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-65.1	148	172.3	29.9	-35.2	0	0	0	111.1	R512 I514 A616 E629 S630	R512-P625 VanDerWaalsContact NH1-CA 3.31Å; I514-P625 HydrophobicContact CD1-CB 4.43Å; I514-P625 HydrophobicContact CG1-CB 4.1Å; I514-P625 HydrophobicContact CG1-CG 4.18Å; A616-P625 HydrophobicContact CB-CG 3.8Å; P625-E629 WeakPolarHBondContact CA-OE2 3.36Å; P625-E629 HydrophobicContact CB-CB 3.73Å; P625-S630 WeakPolarHBondContact CG-OG 3.46Å
626	T	89.2	Confident	80.8	Confident	73 Å²	73	76.8 Å²	76.8	45%	0.448	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-70.4	168.9	166.8	65.3	0	0	0	0	110.4	S628 E629 S630	T626-S628 PolarHBondContact O-N 2.88Å; T626-S628 PolarHBondContact OG1-OG 2.67Å; T626-E629 PolarHBondContact N-OE2 2.86Å; T626-E629 PolarHBondContact O-N 3.03Å; T626-E629 WeakPolarHBondContact OG1-CG 3.4Å; T626-S630 PolarHBondContact O-N 2.88Å; T626-S630 VanDerWaalsContact O-N 3.09Å; T626-S630 PolarHBondContact O-OG 2.98Å
627	E	83.3	Confident	77.8	Confident	180 Å²	180	87.8 Å²	87.8	84%	0.841	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-57.5	-36.8	176.7	-69.2	-175.2	170.5	0	0	112.3	E629 S630	E627-E629 VanDerWaalsContact C-N 3.29Å; E627-E629 PolarHBondContact O-N 2.68Å; E627-S630 PolarHBondContact O-N 3.34Å
628	S	83.6	Confident	75	Confident	114 Å²	114	93.9 Å²	93.9	80%	0.797	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-71.4	-20.7	176.3	59.9	0	0	0	0	114.2	T626	T626-S628 PolarHBondContact O-N 2.88Å; T626-S628 PolarHBondContact OG1-OG 2.67Å
629	E	86.1	Confident	72.3	Confident	64 Å²	64	101.8 Å²	101.8	30%	0.299	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-93.3	-14.3	178.5	-67.5	179.2	137.4	0	0	112.5	R512 I514 P625 T626 E627	R512-E629 IonicContact CZ-OE2 3.11Å; R512-E629 IonicContact NH1-OE2 2.74Å; R512-E629 PolarHBondContact NH1-OE2 3.43Å; R512-E629 IonicContact NH2-OE1 2.74Å; R512-E629 PolarHBondContact NH2-OE1 3.47Å; R512-E629 IonicContact NH2-OE2 3.24Å; R512-E629 PolarHBondContact NH2-OE2 2.9Å; I514-E629 WeakPolarHBondContact CD1-O 3.46Å; P625-E629 WeakPolarHBondContact CA-OE2 3.36Å; P625-E629 HydrophobicContact CB-CB 3.73Å; T626-E629 PolarHBondContact N-OE2 2.86Å; T626-E629 PolarHBondContact O-N 3.03Å; T626-E629 WeakPolarHBondContact OG1-CG 3.4Å; E627-E629 VanDerWaalsContact C-N 3.29Å; E627-E629 PolarHBondContact O-N 2.68Å
630	S	86.5	Confident	70	Confident	27 Å²	27	99.1 Å²	99.1	19%	0.189	54%	0.539	C	S	.	.	S	Bend	trans	-86.7	148.6	-176.9	-61	0	0	0	0	111.5	P625 T626 E627	P625-S630 WeakPolarHBondContact CG-OG 3.46Å; T626-S630 PolarHBondContact O-N 2.88Å; T626-S630 VanDerWaalsContact O-N 3.09Å; T626-S630 PolarHBondContact O-OG 2.98Å; E627-S630 PolarHBondContact O-N 3.34Å
631	C	87.2	Confident	67.3	Low	13 Å²	13	107.7 Å²	107.7	9%	0.088	57%	0.566	C	S	.	*			trans	-79	137.3	169.8	-62.4	0	0	0	0	110.2	C473 C516 L633	C473-C631 HydrophobicContact CB-CB 3.99Å; C473-C631 WeakPolarHBondContact CB-SG 3.38Å; C473-C631 WeakPolarHBondContact SG-CA 3.38Å; C473-C631 WeakPolarHBondContact SG-CB 3.49Å; C473-C631 CovalentContact SG-SG 2.05Å; C473-C631 PolarHBondContact SG-SG 3.37Å; C516-C631 HydrophobicContact CB-CB 4.39Å; C631-L633 PolarHBondContact O-N 3.42Å; C631-L633 VanDerWaalsContact O-N 3.17Å
632	Q	79.2	Confident	64.7	Low	200 Å²	200	111.6 Å²	111.6	94%	0.935	58%	0.581	S	S	*	*			trans	-70.1	110.5	173.4	-66.2	-177.2	-8.1	0	0	109.1
633	L	69.2	Low	61.9	Low	47 Å²	47	113.2 Å²	113.2	25%	0.246	59%	0.589	C	S	.	*	P	Polyproline II helix	trans	-100.6	124.4	179.6	-62.7	165.6	0	0	0	108.4	V515 C516 R518 C631	V515-L633 HydrophobicContact CB-CD1 4.3Å; V515-L633 HydrophobicContact CG1-CD1 3.96Å; C516-L633 WeakPolarHBondContact O-CD2 3.42Å; R518-L633 HydrophobicContact CG-CD1 3.88Å; R518-L633 HydrophobicContact CG-CD2 4.44Å; C631-L633 PolarHBondContact O-N 3.42Å; C631-L633 VanDerWaalsContact O-N 3.17Å
634	E	55.6	Low	58.9	Low	185 Å²	185	117.7 Å²	117.7	86%	0.864	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-51.6	133.1	176.7	-73.6	-92.6	153.5	0	0	111.5
635	P	49	Very low	56.2	Low	115 Å²	115	124.1 Å²	124.1	75%	0.747	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-66.5	134.4	179.3	23.9	-30.1	0	0	0	112	R637	P635-R637 PolarHBondContact O-N 3.48Å
636	K	40.9	Very low	53.2	Low	178 Å²	178	128.1 Å²	128.1	77%	0.774	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-58.4	119.3	175.8	-74.5	-177.8	176.5	177.4	0	110.6
637	R	30.9	Very low	50.2	Low	230 Å²	230	132.1 Å²	132.1	87%	0.868	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-64.7	132.8	157.3	-79.3	-174.9	-174.8	-169.2	1.7	108.6	P635 I639	P635-R637 PolarHBondContact O-N 3.48Å; R637-I639 PolarHBondContact O-N 2.75Å
638	P	33	Very low	47.8	Very low	129 Å²	129	128.9 Å²	128.9	84%	0.838	70%	0.702	S	S	*	*			trans	-70.5	114.5	175.9	27.4	-30.1	0	0	0	109.1
639	I	35.4	Very low	45.2	Very low	166 Å²	166	131 Å²	131	85%	0.851	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-88.3	117.3	172.4	-60.2	175.8	0	0	0	107.5	R637	R637-I639 PolarHBondContact O-N 2.75Å
640	G	32.4	Very low	42.8	Very low	63 Å²	63	135.6 Å²	135.6	65%	0.649	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-63.5	154.2	178.2	0	0	0	0	0	113.5	I642	G640-I642 PolarHBondContact O-N 2.72Å
641	R	28	Very low	40	Very low	255 Å²	255	140.4 Å²	140.4	96%	0.962	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-53.1	127.5	176.2	-70	175.2	177.7	178.3	-1.4	112
642	I	31.9	Very low	37.4	Very low	162 Å²	162	146.1 Å²	146.1	83%	0.831	78%	0.781	S	S	*	*			trans	-140.2	138.7	150.2	-59.5	-175.2	0	0	0	109	G640	G640-I642 PolarHBondContact O-N 2.72Å
643	P	27.3	Very low	35.1	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	78%	0.776	S	S	*	*			trans	-84.9	164.3	-162.3	-3.3	23.9	0	0	0	114.4
644	A	27.4	Very low	33.4	Very low	98 Å²	98	143 Å²	143	81%	0.81	79%	0.794	S	S	*	*			trans	-54	138.3	176.7	0	0	0	0	0	113.6
645	L	32.4	Very low	32.4	Very low	174 Å²	174	141.3 Å²	141.3	91%	0.911	79%	0.792	S	S	*	*			trans	-153.3	144.5	153.7	-99.8	161.3	0	0	0	110
646	S	28.2	Very low	31.6	Very low	97 Å²	97	147 Å²	147	68%	0.678	80%	0.798	S	S	*	*			trans	-89.8	154.3	-162.5	57.6	0	0	0	0	114.9
647	N	27.1	Very low	31.4	Very low	158 Å²	158	147.6 Å²	147.6	85%	0.845	80%	0.804	S	S	*	*			trans	21.6	119.1	144.6	-65.9	-9.6	0	0	0	120.7
648	S	33.4	Very low	31.3	Very low	112 Å²	112	142.3 Å²	142.3	78%	0.783	80%	0.797	S	S	*	*			trans	-174.2	104.6	139.4	51	0	0	0	0	107.6
649	I	28.7	Very low	31.2	Very low	158 Å²	158	144.2 Å²	144.2	81%	0.81	80%	0.799	S	S	*	*				39	116.9	90.9	-53.1	179.2	0	0	0	113.6
650	I	34.7	Very low	30.8	Very low	161 Å²	161	140.4 Å²	140.4	83%	0.826	79%	0.788	S	S	*	*			trans	165.4	103.5	146.8	-78.7	148.4	0	0	0	104.4
651	D	29.2	Very low	30.7	Very low	127 Å²	127	144.7 Å²	144.7	68%	0.679	80%	0.796	S	S	*	*				85.9	123.7	63.6	-154.3	28.6	0	0	0	114
652	N	30.9	Very low	30.8	Very low	134 Å²	134	141 Å²	141	72%	0.717	79%	0.79	S	S	*	*			trans	60.7	145.1	161.3	-66.5	-37.4	0	0	0	118.9
653	S	31.7	Very low	30.7	Very low	119 Å²	119	140 Å²	140	83%	0.832	79%	0.786	S	S	*	*			cis	-177.5	158	17.5	39.3	0	0	0	0	107.6
654	G	32.6	Very low	31.1	Very low	61 Å²	61	144 Å²	144	63%	0.629	79%	0.791	S	S	*	*			trans	150.9	85.6	158	0	0	0	0	0	116.7
655	D	35.8	Very low	31.2	Very low	151 Å²	151	144.5 Å²	144.5	81%	0.807	79%	0.788	S	S	*	*			trans	63.6	108.7	138.7	-49.3	-32.5	0	0	0	120
656	R	32.9	Very low	31.2	Very low	235 Å²	235	146.8 Å²	146.8	89%	0.887	79%	0.785	S	S	*	*				50.1	119	87.4	-89.7	-177.3	170.5	176	-2.7	111.8
657	E	35.2	Very low	31.4	Very low	189 Å²	189	150.2 Å²	150.2	88%	0.883	79%	0.79	S	S	*	*				-152.6	151.7	66.4	-80.3	178.6	149.1	0	0	114.8
658	T	30	Very low	31.7	Very low	119 Å²	119	151 Å²	151	73%	0.73	79%	0.789	S	S	*	*			trans	-74.4	150.2	172.3	44.4	0	0	0	0	113.1
659	L	30.4	Very low	31.6	Very low	169 Å²	169	148.9 Å²	148.9	89%	0.885	78%	0.784	S	S	*	*				175.1	152.8	115.6	-91.9	152.2	0	0	0	112.7
660	S	27.2	Very low	31.9	Very low	87 Å²	87	150.7 Å²	150.7	61%	0.608	79%	0.789	S	S	*	*			trans	-93.9	159.9	-157.3	50.4	0	0	0	0	115.5
661	D	30.1	Very low	32	Very low	152 Å²	152	151.6 Å²	151.6	81%	0.813	79%	0.792	S	S	*	*			trans	55.1	134.1	135.1	-65.9	-29.5	0	0	0	122.5
662	E	29.3	Very low	32.2	Very low	179 Å²	179	152.5 Å²	152.5	84%	0.836	80%	0.796	S	S	*	*			trans	91.1	127.2	155.4	-68.2	-177.5	163.3	0	0	120.5
663	D	30.5	Very low	32.4	Very low	140 Å²	140	151.8 Å²	151.8	75%	0.749	79%	0.792	S	S	*	*			trans	71.6	102.6	155.3	-79.3	-14.9	0	0	0	120.3
664	K	35.5	Very low	32.6	Very low	205 Å²	205	156.7 Å²	156.7	89%	0.891	79%	0.793	S	S	*	*				176.7	125.5	104.4	-91.9	152.7	-168.3	175.3	0	114.2
665	S	30.3	Very low	32.9	Very low	108 Å²	108	160.6 Å²	160.6	76%	0.755	80%	0.804	S	S	*	*			trans	-80.8	157.7	169.1	-157.6	0	0	0	0	111.7
666	R	31.2	Very low	33	Very low	221 Å²	221	158.9 Å²	158.9	83%	0.834	80%	0.799	S	S	*	*			trans	95.6	137.3	148.4	-83.8	176.2	157.3	169.5	-5	122
667	Q	32.8	Very low	33.3	Very low	169 Å²	169	154.1 Å²	154.1	79%	0.79	79%	0.791	S	S	*	*			trans	86.1	129.5	162	-66.7	169.6	-4.4	0	0	115.3
668	H	33.2	Very low	33.3	Very low	176 Å²	176	152.7 Å²	152.7	82%	0.815	79%	0.789	S	S	*	*			cis	-159.5	158.1	36.5	-110.5	157	0	0	0	113.1
669	G	31.1	Very low	33.7	Very low	67 Å²	67	152.3 Å²	152.3	69%	0.691	79%	0.788	S	S	*	*			trans	-70.8	-172.9	162.6	0	0	0	0	0	112.3
670	E	34.6	Very low	34	Very low	196 Å²	196	149.8 Å²	149.8	92%	0.916	79%	0.785	S	S	*	*			cis	-164.9	168.9	27.1	-90.6	177.3	140.1	0	0	108.6
671	M	36.8	Very low	34.4	Very low	179 Å²	179	153.1 Å²	153.1	88%	0.882	80%	0.796	S	S	*	*			trans	129.5	91.9	138.4	-156.5	164.2	73.2	0	0	117
672	L	34	Very low	34.6	Very low	147 Å²	147	153.2 Å²	153.2	77%	0.77	80%	0.796	S	S	*	*				18.9	149.8	119.3	-111.5	83.3	0	0	0	118.1
673	D	34.8	Very low	35.3	Very low	119 Å²	119	150.5 Å²	150.5	64%	0.636	79%	0.786	S	S	*	*			cis	175.2	137.6	12.1	-141.7	13.6	0	0	0	103.6
674	R	36.3	Very low	35.9	Very low	222 Å²	222	150.6 Å²	150.6	84%	0.838	79%	0.786	S	S	*	*				161	146.8	88.9	-72.3	-167.8	175.8	163	-2.4	107.7
675	V	39.6	Very low	36.7	Very low	143 Å²	143	144.2 Å²	144.2	87%	0.867	77%	0.766	S	S	*	*				-179.7	131.7	115.2	167.5	0	0	0	0	108.5
676	T	36.3	Very low	38.2	Very low	114 Å²	114	141.5 Å²	141.5	70%	0.699	75%	0.747	S	S	*	*			trans	-88.5	150.6	-177.3	48.6	0	0	0	0	112.3
677	D	39.4	Very low	40.6	Very low	136 Å²	136	133.6 Å²	133.6	73%	0.727	72%	0.717	S	S	*	*				167.2	116.8	117.8	-80.7	-14	0	0	0	114.5
678	L	35.8	Very low	42.8	Very low	159 Å²	159	126.5 Å²	126.5	83%	0.832	69%	0.686	S	S	*	*			trans	84.7	148.3	138.4	-67.4	167.1	0	0	0	122.4
679	P	38.9	Very low	45.1	Very low	110 Å²	110	123.1 Å²	123.1	71%	0.714	68%	0.679	S	S	*	*				-129.7	158.8	-121.5	40.5	-25.5	0	0	0	117.5
680	S	36.3	Very low	47.8	Very low	116 Å²	116	123.7 Å²	123.7	81%	0.811	66%	0.661	S	S	*	*			trans	-175	103	143.7	25.3	0	0	0	0	113.6
681	N	35	Very low	49.8	Very low	158 Å²	158	117.2 Å²	117.2	85%	0.845	64%	0.637	S	S	*	*			trans	49.2	70.5	156.5	-73.6	-11.7	0	0	0	120.7
682	D	34.6	Very low	52	Low	153 Å²	153	113 Å²	113	82%	0.818	63%	0.63	S	S	*	*			trans	-109.2	96.1	158.3	-86.5	-37.9	0	0	0	110.8	L684	D682-L684 PolarHBondContact O-N 3.31Å
683	I	43.9	Very low	54.5	Low	123 Å²	123	109.9 Å²	109.9	63%	0.631	61%	0.608	S	S	*	*			trans	-80.3	102.7	170.2	-56.9	176.4	0	0	0	107.5	R713	I683-R713 PolarHBondContact O-NH1 3.2Å
684	L	44.7	Very low	56.3	Low	141 Å²	141	106.5 Å²	106.5	74%	0.738	59%	0.594	S	S	*	*			trans	-53.7	146.2	170.4	-78.1	160.7	0	0	0	111	D682 S686	D682-L684 PolarHBondContact O-N 3.31Å; L684-S686 PolarHBondContact O-N 3.34Å
685	P	51.1	Low	58.4	Low	72 Å²	72	102.1 Å²	102.1	47%	0.468	59%	0.587	S	S	.	*			trans	-62.1	107	174.7	26.5	-30.9	0	0	0	108.5	R713	P685-R713 HydrophobicContact CB-CB 4.37Å
686	S	62	Low	60.5	Low	51 Å²	51	96.7 Å²	96.7	36%	0.357	56%	0.556	S	S	.	*			trans	-116.9	151.5	177.5	58.1	0	0	0	0	110.6	L684 W712	L684-S686 PolarHBondContact O-N 3.34Å; S686-W712 PolarHBondContact O-N 3.5Å; S686-W712 VanDerWaalsContact OG-CZ3 3.24Å; S686-W712 WeakPolarHBondContact OG-CZ3 3.15Å
687	W	81.2	Confident	62.4	Low	55 Å²	55	95.1 Å²	95.1	21%	0.208	55%	0.549	C	S	.	.	B	Isolated β-bridge	trans	-72.8	144.6	166.8	-77.6	107.8	0	0	0	109.7	R709 C711 W712 C716 D717 G718 A720	W687-R709 HydrophobicContact CD2-CG 4.08Å; W687-R709 VanDerWaalsContact CE2-CZ 3.44Å; W687-R709 HydrophobicContact CE3-CB 4.12Å; W687-R709 VanDerWaalsContact CE3-CD 3.47Å; W687-R709 HydrophobicContact CE3-CG 3.45Å; W687-R709 VanDerWaalsContact CE3-CG 3.45Å; W687-R709 HydrophobicContact CZ3-CG 3.78Å; W687-C711 HydrophobicContact CE3-CB 4Å; W687-C711 HydrophobicContact CH2-CB 4.2Å; W687-C711 HydrophobicContact CZ3-CB 3.74Å; W687-W712 VanDerWaalsContact C-CZ3 3.4Å; W687-W712 WeakPolarHBondContact O-CZ3 3.32Å; W687-C716 HydrophobicContact CD2-CB 3.79Å; W687-C716 HydrophobicContact CE3-CB 4.33Å; W687-C716 HydrophobicContact CG-CB 4.33Å; W687-C716 HydrophobicContact CH2-CB 3.99Å; W687-C716 HydrophobicContact CZ2-CB 3.38Å; W687-C716 HydrophobicContact CZ3-CB 4.43Å; W687-D717 PolarHBondContact NE1-O 2.72Å; W687-G718 WeakPolarHBondContact CZ2-O 2.89Å; W687-A720 HydrophobicContact CH2-CB 3.96Å; W687-A720 HydrophobicContact CZ3-CB 3.9Å
688	S	79.2	Confident	63.6	Low	19 Å²	19	89.8 Å²	89.8	13%	0.133	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-58.5	154.4	160.7	85.9	0	0	0	0	110.9	W690 R709 T710	S688-W690 PolarHBondContact O-N 3.22Å; S688-R709 WeakPolarHBondContact O-CB 3.35Å; S688-R709 WeakPolarHBondContact OG-CA 3.33Å; S688-T710 WeakPolarHBondContact CB-O 3.22Å; S688-T710 PolarHBondContact N-O 2.79Å; S688-T710 PolarHBondContact OG-N 2.87Å
689	P	82.6	Confident	65.2	Low	105 Å²	105	88 Å²	88	68%	0.682	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-48.7	143.5	161.1	-23.9	32.7	0	0	0	109.7	S691	P689-S691 PolarHBondContact O-N 3.1Å
690	W	86.2	Confident	66.8	Low	80 Å²	80	84.8 Å²	84.8	30%	0.303	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-57.9	138.7	169.5	-76.4	106.3	0	0	0	109.9	S688 R707 R709 D719 D722	S688-W690 PolarHBondContact O-N 3.22Å; W690-R707 HydrophobicContact CD2-CG 4.29Å; W690-R707 HydrophobicContact CE3-CB 4.3Å; W690-R707 HydrophobicContact CE3-CG 3.67Å; W690-R707 HydrophobicContact CZ3-CG 4.12Å; W690-R707 WeakPolarHBondContact CZ3-O 3.48Å; W690-R709 HydrophobicContact CD2-CB 4.18Å; W690-R709 HydrophobicContact CD2-CG 4.06Å; W690-R709 HydrophobicContact CE3-CB 3.96Å; W690-R709 HydrophobicContact CE3-CG 3.83Å; W690-R709 HydrophobicContact CH2-CG 3.8Å; W690-R709 HydrophobicContact CZ2-CG 4.03Å; W690-R709 HydrophobicContact CZ3-CB 4.29Å; W690-R709 HydrophobicContact CZ3-CG 3.69Å; W690-D719 WeakPolarHBondContact CH2-O 3.17Å; W690-D722 HydrophobicContact CE3-CB 4.39Å; W690-D722 HydrophobicContact CH2-CB 3.55Å; W690-D722 HydrophobicContact CZ2-CB 4.12Å; W690-D722 HydrophobicContact CZ3-CB 3.69Å
691	S	77.4	Confident	68.7	Low	60 Å²	60	80.1 Å²	80.1	42%	0.42	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-60.9	162.5	166.7	74.9	0	0	0	0	110.5	P689 G708	P689-S691 PolarHBondContact O-N 3.1Å; S691-G708 WeakPolarHBondContact CB-O 3.48Å; S691-G708 PolarHBondContact N-O 3.17Å; S691-G708 PolarHBondContact OG-N 3.18Å; S691-G708 PolarHBondContact OG-O 2.87Å
692	A	82.7	Confident	70.8	Confident	89 Å²	89	78 Å²	78	74%	0.736	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-55	150.6	161.2	0	0	0	0	0	110.2
693	W	86.2	Confident	73	Confident	82 Å²	82	71.1 Å²	71.1	31%	0.311	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-61.5	141.4	171.1	-74.9	104.2	0	0	0	110.6	K705 R707 D722 D724	W693-K705 HydrophobicContact CB-CD 4.2Å; W693-K705 HydrophobicContact CD2-CD 3.93Å; W693-K705 HydrophobicContact CD2-CG 4.19Å; W693-K705 HydrophobicContact CE3-CB 4.05Å; W693-K705 HydrophobicContact CE3-CD 3.9Å; W693-K705 HydrophobicContact CE3-CG 3.62Å; W693-K705 HydrophobicContact CG-CD 4.09Å; W693-K705 HydrophobicContact CZ3-CG 4.06Å; W693-K705 WeakPolarHBondContact CZ3-O 3.07Å; W693-R707 HydrophobicContact CD2-CB 4.13Å; W693-R707 HydrophobicContact CD2-CG 3.97Å; W693-R707 VanDerWaalsContact CE2-CD 3.46Å; W693-R707 HydrophobicContact CE3-CB 3.98Å; W693-R707 HydrophobicContact CE3-CG 3.85Å; W693-R707 HydrophobicContact CH2-CG 3.86Å; W693-R707 HydrophobicContact CZ2-CG 3.99Å; W693-R707 HydrophobicContact CZ3-CB 4.34Å; W693-R707 HydrophobicContact CZ3-CG 3.79Å; W693-D722 HydrophobicContact CH2-CB 4.25Å; W693-D722 WeakPolarHBondContact CH2-OD2 3.02Å; W693-D724 HydrophobicContact CH2-CB 3.39Å; W693-D724 HydrophobicContact CZ2-CB 3.99Å; W693-D724 HydrophobicContact CZ3-CB 3.71Å
694	S	73.7	Confident	74.7	Confident	49 Å²	49	69.3 Å²	69.3	34%	0.343	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-64.6	160.5	167.7	73.8	0	0	0	0	111.1	K705 T706	S694-K705 WeakPolarHBondContact O-CB 3.34Å; S694-T706 WeakPolarHBondContact CB-O 3.34Å; S694-T706 PolarHBondContact N-O 3.47Å; S694-T706 PolarHBondContact OG-N 2.88Å; S694-T706 PolarHBondContact OG-O 3.05Å; S694-T706 PolarHBondContact OG-OG1 2.99Å
695	D	79.8	Confident	76.7	Confident	130 Å²	130	65.1 Å²	65.1	70%	0.695	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-54	153.8	160.6	-62	-37.6	0	0	0	110.4
696	C	83.9	Confident	78.3	Confident	29 Å²	29	64.3 Å²	64.3	20%	0.196	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-59.7	137.9	175.9	-163	0	0	0	0	110.7	A698 C726 L728	C696-A698 PolarHBondContact O-N 3.43Å; C696-A698 VanDerWaalsContact O-N 3.15Å; C696-C726 WeakPolarHBondContact CA-SG 3.24Å; C696-C726 HydrophobicContact CB-CB 3.93Å; C696-C726 WeakPolarHBondContact CB-SG 3.34Å; C696-C726 WeakPolarHBondContact SG-CB 3.34Å; C696-C726 CovalentContact SG-SG 2.03Å; C696-C726 PolarHBondContact SG-SG 2.81Å; C696-L728 HydrophobicContact CB-CD1 3.98Å; C696-L728 HydrophobicContact CB-CG 4.21Å
697	S	76.1	Confident	79.5	Confident	81 Å²	81	65.3 Å²	65.3	57%	0.566	39%	0.385	S	S	*	.	S	Bend	trans	-63.4	-19.3	-179.5	67.9	0	0	0	0	113.8	G703 I704	S697-G703 WeakPolarHBondContact OG-CA 3.36Å; S697-I704 WeakPolarHBondContact CB-O 3.48Å; S697-I704 PolarHBondContact N-O 3.22Å; S697-I704 PolarHBondContact OG-N 3.21Å; S697-I704 PolarHBondContact OG-O 3.08Å
698	A	65.2	Low	79.8	Confident	24 Å²	24	64 Å²	64	20%	0.198	39%	0.388	C	S	.	.	S	Bend	trans	-108.3	150.8	176.1	0	0	0	0	0	110.1	C696 C700 D702 L728	C696-A698 PolarHBondContact O-N 3.43Å; C696-A698 VanDerWaalsContact O-N 3.15Å; A698-C700 WeakPolarHBondContact CB-O 3.31Å; A698-D702 WeakPolarHBondContact CB-O 3.31Å; A698-L728 WeakPolarHBondContact O-CD1 3.38Å
699	S	67.7	Low	80.1	Confident	121 Å²	121	65.5 Å²	65.5	85%	0.846	39%	0.391	S	S	*	.	S	Bend	trans	-92.3	-6.6	173.3	53.2	0	0	0	0	113.4
700	C	72.8	Confident	79.7	Confident	42 Å²	42	64.9 Å²	64.9	28%	0.284	39%	0.385	S	S	.	.	S	Bend	trans	-164.2	157.8	174.3	57.5	0	0	0	0	107.6	A698 Q729 C731	A698-C700 WeakPolarHBondContact CB-O 3.31Å; C700-Q729 WeakPolarHBondContact CA-O 3.04Å; C700-Q729 WeakPolarHBondContact CB-O 3.06Å; C700-C731 HydrophobicContact CB-CB 3.84Å; C700-C731 WeakPolarHBondContact CB-SG 3.37Å; C700-C731 PolarHBondContact O-SG 2.99Å; C700-C731 VanDerWaalsContact SG-CA 3.5Å; C700-C731 WeakPolarHBondContact SG-CB 3.46Å; C700-C731 CovalentContact SG-SG 2.03Å; C700-C731 PolarHBondContact SG-SG 2.99Å
701	G	76.8	Confident	79.2	Confident	19 Å²	19	63.2 Å²	63.2	20%	0.196	39%	0.385	C	S	.	.	S	Bend	trans	71.1	-157	-177.5	0	0	0	0	0	114.3	L728 Q729	G701-L728 PolarHBondContact O-N 3.18Å; G701-Q729 PolarHBondContact N-O 3.21Å
702	D	79.9	Confident	78.3	Confident	113 Å²	113	67.6 Å²	67.6	60%	0.604	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.4	-179.5	-67.3	-48.8	0	0	0	111.6	A698 R727	A698-D702 WeakPolarHBondContact CB-O 3.31Å; D702-R727 VanDerWaalsContact OD1-CG 3.3Å; D702-R727 WeakPolarHBondContact OD1-CG 2.97Å; D702-R727 IonicContact OD1-CZ 2.82Å; D702-R727 IonicContact OD1-NE 3.93Å; D702-R727 PolarHBondContact OD1-NE 3.43Å; D702-R727 IonicContact OD1-NH2 2.77Å
703	G	79.6	Confident	77.1	Confident	8 Å²	8	70.6 Å²	70.6	8%	0.082	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	-175.6	175	0	0	0	0	0	111.7	S697 C726	S697-G703 WeakPolarHBondContact OG-CA 3.36Å; G703-C726 PolarHBondContact N-O 3.15Å; G703-C726 PolarHBondContact O-N 3.33Å; G703-C726 PolarHBondContact O-SG 3.15Å
704	I	80.9	Confident	75.3	Confident	85 Å²	85	74.2 Å²	74.2	44%	0.436	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.2	-178.7	-50.1	175.8	0	0	0	107.4	S697 T706 R723 D724 C726	S697-I704 WeakPolarHBondContact CB-O 3.48Å; S697-I704 PolarHBondContact N-O 3.22Å; S697-I704 PolarHBondContact OG-N 3.21Å; S697-I704 PolarHBondContact OG-O 3.08Å; I704-T706 HydrophobicContact CG2-CG2 4.41Å; I704-R723 HydrophobicContact CG2-CB 4.15Å; I704-D724 CarbonylContact C-O 3.53Å; I704-D724 WeakPolarHBondContact CA-O 3.03Å; I704-C726 VanDerWaalsContact C-SG 3.55Å; I704-C726 PolarHBondContact N-SG 2.81Å
705	K	85.9	Confident	74.6	Confident	53 Å²	53	79.4 Å²	79.4	23%	0.23	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	150.2	166.8	57.1	177.2	-172.2	-169.5	0	108.6	W693 S694 D724 C726	W693-K705 HydrophobicContact CB-CD 4.2Å; W693-K705 HydrophobicContact CD2-CD 3.93Å; W693-K705 HydrophobicContact CD2-CG 4.19Å; W693-K705 HydrophobicContact CE3-CB 4.05Å; W693-K705 HydrophobicContact CE3-CD 3.9Å; W693-K705 HydrophobicContact CE3-CG 3.62Å; W693-K705 HydrophobicContact CG-CD 4.09Å; W693-K705 HydrophobicContact CZ3-CG 4.06Å; W693-K705 WeakPolarHBondContact CZ3-O 3.07Å; S694-K705 WeakPolarHBondContact O-CB 3.34Å; K705-D724 VanDerWaalsContact CE-CB 3.48Å; K705-D724 VanDerWaalsContact CE-CG 3.46Å; K705-D724 WeakPolarHBondContact CE-OD2 3.38Å; K705-D724 HydrophobicContact CG-CB 4.14Å; K705-D724 WeakPolarHBondContact CG-O 3.07Å; K705-D724 PolarHBondContact N-O 2.66Å; K705-D724 IonicContact NZ-OD2 3.99Å; K705-D724 PolarHBondContact NZ-OD2 3.24Å; K705-D724 PolarHBondContact O-N 2.81Å; K705-C726 HydrophobicContact CD-CB 4.46Å; K705-C726 HydrophobicContact CG-CB 4.39Å
706	T	84.3	Confident	74.1	Confident	56 Å²	56	74.6 Å²	74.6	34%	0.344	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146	-177.4	58.1	0	0	0	0	111.1	S694 I704 D722 R723	S694-T706 WeakPolarHBondContact CB-O 3.34Å; S694-T706 PolarHBondContact N-O 3.47Å; S694-T706 PolarHBondContact OG-N 2.88Å; S694-T706 PolarHBondContact OG-O 3.05Å; S694-T706 PolarHBondContact OG-OG1 2.99Å; I704-T706 HydrophobicContact CG2-CG2 4.41Å; T706-D722 VanDerWaalsContact CA-O 3.3Å; T706-D722 WeakPolarHBondContact CA-O 3.44Å; T706-R723 HydrophobicContact CG2-CG 4.03Å
707	R	87.7	Confident	73.4	Confident	72 Å²	72	80.9 Å²	80.9	27%	0.272	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154.6	169.3	60.9	178.7	179.1	172.5	-1.4	110	W690 W693 I721 D722	W690-R707 HydrophobicContact CD2-CG 4.29Å; W690-R707 HydrophobicContact CE3-CB 4.3Å; W690-R707 HydrophobicContact CE3-CG 3.67Å; W690-R707 HydrophobicContact CZ3-CG 4.12Å; W690-R707 WeakPolarHBondContact CZ3-O 3.48Å; W693-R707 HydrophobicContact CD2-CB 4.13Å; W693-R707 HydrophobicContact CD2-CG 3.97Å; W693-R707 VanDerWaalsContact CE2-CD 3.46Å; W693-R707 HydrophobicContact CE3-CB 3.98Å; W693-R707 HydrophobicContact CE3-CG 3.85Å; W693-R707 HydrophobicContact CH2-CG 3.86Å; W693-R707 HydrophobicContact CZ2-CG 3.99Å; W693-R707 HydrophobicContact CZ3-CB 4.34Å; W693-R707 HydrophobicContact CZ3-CG 3.79Å; R707-I721 WeakPolarHBondContact O-CA 3.46Å; R707-D722 HydrophobicContact CG-CB 3.82Å; R707-D722 IonicContact CZ-OD2 2.82Å; R707-D722 VanDerWaalsContact CZ-OD2 3.24Å; R707-D722 PolarHBondContact N-O 3.49Å; R707-D722 IonicContact NE-OD2 3.51Å; R707-D722 PolarHBondContact NE-OD2 2.99Å; R707-D722 IonicContact NH2-OD2 3.18Å; R707-D722 PolarHBondContact NH2-OD2 3.07Å; R707-D722 PolarHBondContact O-N 3.34Å
708	G	86.9	Confident	73.2	Confident	27 Å²	27	79.6 Å²	79.6	28%	0.278	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157	-177.3	0	0	0	0	0	112.9	S691 A720	S691-G708 WeakPolarHBondContact CB-O 3.48Å; S691-G708 PolarHBondContact N-O 3.17Å; S691-G708 PolarHBondContact OG-N 3.18Å; S691-G708 PolarHBondContact OG-O 2.87Å; G708-A720 CarbonylContact C-O 3.48Å; G708-A720 VanDerWaalsContact CA-O 3.25Å; G708-A720 WeakPolarHBondContact CA-O 3.16Å
709	R	86.7	Confident	73.6	Confident	50 Å²	50	84.5 Å²	84.5	19%	0.189	46%	0.46	C	S	.	.			trans	-137.4	151.2	170.6	55.6	177.4	-178.7	173.8	4.7	109.7	W687 S688 W690 D719 A720	W687-R709 HydrophobicContact CD2-CG 4.08Å; W687-R709 VanDerWaalsContact CE2-CZ 3.44Å; W687-R709 HydrophobicContact CE3-CB 4.12Å; W687-R709 VanDerWaalsContact CE3-CD 3.47Å; W687-R709 HydrophobicContact CE3-CG 3.45Å; W687-R709 VanDerWaalsContact CE3-CG 3.45Å; W687-R709 HydrophobicContact CZ3-CG 3.78Å; S688-R709 WeakPolarHBondContact O-CB 3.35Å; S688-R709 WeakPolarHBondContact OG-CA 3.33Å; W690-R709 HydrophobicContact CD2-CB 4.18Å; W690-R709 HydrophobicContact CD2-CG 4.06Å; W690-R709 HydrophobicContact CE3-CB 3.96Å; W690-R709 HydrophobicContact CE3-CG 3.83Å; W690-R709 HydrophobicContact CH2-CG 3.8Å; W690-R709 HydrophobicContact CZ2-CG 4.03Å; W690-R709 HydrophobicContact CZ3-CB 4.29Å; W690-R709 HydrophobicContact CZ3-CG 3.69Å; R709-D719 PolarHBondContact NE-O 3.38Å; R709-D719 PolarHBondContact NH2-O 3.15Å; R709-A720 PolarHBondContact N-O 3.17Å
710	T	72.6	Confident	74.1	Confident	92 Å²	92	80.8 Å²	80.8	56%	0.564	44%	0.436	S	S	*	.			trans	-106.2	135.1	-177.3	-52.4	0	0	0	0	109.3	S688	S688-T710 WeakPolarHBondContact CB-O 3.22Å; S688-T710 PolarHBondContact N-O 2.79Å; S688-T710 PolarHBondContact OG-N 2.87Å
711	C	75.6	Confident	74.5	Confident	45 Å²	45	83.4 Å²	83.4	30%	0.304	45%	0.446	S	S	.	.	B	Isolated β-bridge	trans	-88.2	125.3	173.9	-179.7	0	0	0	0	108.8	W687 R713 C716	W687-C711 HydrophobicContact CE3-CB 4Å; W687-C711 HydrophobicContact CH2-CB 4.2Å; W687-C711 HydrophobicContact CZ3-CB 3.74Å; C711-R713 PolarHBondContact SG-O 3.39Å; C711-C716 VanDerWaalsContact CA-SG 3.55Å; C711-C716 HydrophobicContact CB-CB 3.82Å; C711-C716 WeakPolarHBondContact CB-SG 3.34Å; C711-C716 WeakPolarHBondContact SG-CB 3.32Å; C711-C716 PolarHBondContact SG-N 2.82Å; C711-C716 VanDerWaalsContact SG-N 3.43Å; C711-C716 CovalentContact SG-SG 2.02Å; C711-C716 PolarHBondContact SG-SG 3.44Å
712	W	60.1	Low	75	Confident	152 Å²	152	84.9 Å²	84.9	58%	0.576	45%	0.449	S	S	*	.	S	Bend	trans	-82.8	-9.8	-173.3	-71.1	-58.8	0	0	0	114.6	S686 W687	S686-W712 PolarHBondContact O-N 3.5Å; S686-W712 VanDerWaalsContact OG-CZ3 3.24Å; S686-W712 WeakPolarHBondContact OG-CZ3 3.15Å; W687-W712 VanDerWaalsContact C-CZ3 3.4Å; W687-W712 WeakPolarHBondContact O-CZ3 3.32Å
713	R	56.4	Low	75.4	Confident	153 Å²	153	88 Å²	88	58%	0.577	45%	0.453	S	S	*	.	S	Bend	trans	-148.2	156.2	172.9	-77	-172.7	-179.9	171.5	0.8	110.3	I683 P685 C711 H715	I683-R713 PolarHBondContact O-NH1 3.2Å; P685-R713 HydrophobicContact CB-CB 4.37Å; C711-R713 PolarHBondContact SG-O 3.39Å; R713-H715 PolarHBondContact O-N 2.95Å
714	D	49.2	Very low	75.7	Confident	157 Å²	157	90.5 Å²	90.5	84%	0.84	46%	0.464	S	S	*	.	S	Bend	trans	-55.5	6.3	-166.4	-59.4	-36.3	0	0	0	119
715	H	58.6	Low	75.8	Confident	159 Å²	159	90.9 Å²	90.9	74%	0.736	48%	0.475	S	S	*	.			trans	-142.7	99.6	177.9	-64.9	77.5	0	0	0	111.4	R713	R713-H715 PolarHBondContact O-N 2.95Å
716	C	68.8	Low	75.7	Confident	28 Å²	28	89.2 Å²	89.2	19%	0.189	47%	0.469	C	S	.	.			trans	-129.6	130.8	164.4	-53.1	0	0	0	0	109.2	W687 C711	W687-C716 HydrophobicContact CD2-CB 3.79Å; W687-C716 HydrophobicContact CE3-CB 4.33Å; W687-C716 HydrophobicContact CG-CB 4.33Å; W687-C716 HydrophobicContact CH2-CB 3.99Å; W687-C716 HydrophobicContact CZ2-CB 3.38Å; W687-C716 HydrophobicContact CZ3-CB 4.43Å; C711-C716 VanDerWaalsContact CA-SG 3.55Å; C711-C716 HydrophobicContact CB-CB 3.82Å; C711-C716 WeakPolarHBondContact CB-SG 3.34Å; C711-C716 WeakPolarHBondContact SG-CB 3.32Å; C711-C716 PolarHBondContact SG-N 2.82Å; C711-C716 VanDerWaalsContact SG-N 3.43Å; C711-C716 CovalentContact SG-SG 2.02Å; C711-C716 PolarHBondContact SG-SG 3.44Å
717	D	69.3	Low	75.6	Confident	162 Å²	162	96.4 Å²	96.4	87%	0.866	49%	0.49	S	S	*	.			trans	-80.5	139.1	177.5	-82.5	-34.5	0	0	0	112.4	W687	W687-D717 PolarHBondContact NE1-O 2.72Å
718	G	72.7	Confident	74.9	Confident	54 Å²	54	96.4 Å²	96.4	56%	0.557	50%	0.495	S	S	*	.	S	Bend	trans	101.3	170.1	179.2	0	0	0	0	0	114.5	W687	W687-G718 WeakPolarHBondContact CZ2-O 2.89Å
719	D	72.7	Confident	74.3	Confident	127 Å²	127	103 Å²	103	68%	0.679	52%	0.519	S	S	*	.			trans	-72.3	140.1	-176.6	-69	-45.1	0	0	0	112.1	W690 R709 I721	W690-D719 WeakPolarHBondContact CH2-O 3.17Å; R709-D719 PolarHBondContact NE-O 3.38Å; R709-D719 PolarHBondContact NH2-O 3.15Å; D719-I721 WeakPolarHBondContact CB-O 2.9Å; D719-I721 PolarHBondContact O-N 3.18Å
720	A	78.9	Confident	73.1	Confident	43 Å²	43	105.8 Å²	105.8	36%	0.355	54%	0.543	S	S	.	.	S	Bend	trans	-76.9	-9.3	171.8	0	0	0	0	0	112.6	W687 G708 R709	W687-A720 HydrophobicContact CH2-CB 3.96Å; W687-A720 HydrophobicContact CZ3-CB 3.9Å; G708-A720 CarbonylContact C-O 3.48Å; G708-A720 VanDerWaalsContact CA-O 3.25Å; G708-A720 WeakPolarHBondContact CA-O 3.16Å; R709-A720 PolarHBondContact N-O 3.17Å
721	I	80.1	Confident	72	Confident	96 Å²	96	104.7 Å²	104.7	49%	0.492	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	128.7	-175.1	-59.3	177.7	0	0	0	108.5	R707 D719 R723	R707-I721 WeakPolarHBondContact O-CA 3.46Å; D719-I721 WeakPolarHBondContact CB-O 2.9Å; D719-I721 PolarHBondContact O-N 3.18Å; I721-R723 HydrophobicContact CG2-CG 4.39Å
722	D	88.7	Confident	70.7	Confident	50 Å²	50	109 Å²	109	27%	0.267	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.7	141.5	173.3	-176	15.1	0	0	0	109.2	W690 W693 T706 R707	W690-D722 HydrophobicContact CE3-CB 4.39Å; W690-D722 HydrophobicContact CH2-CB 3.55Å; W690-D722 HydrophobicContact CZ2-CB 4.12Å; W690-D722 HydrophobicContact CZ3-CB 3.69Å; W693-D722 HydrophobicContact CH2-CB 4.25Å; W693-D722 WeakPolarHBondContact CH2-OD2 3.02Å; T706-D722 VanDerWaalsContact CA-O 3.3Å; T706-D722 WeakPolarHBondContact CA-O 3.44Å; R707-D722 HydrophobicContact CG-CB 3.82Å; R707-D722 IonicContact CZ-OD2 2.82Å; R707-D722 VanDerWaalsContact CZ-OD2 3.24Å; R707-D722 PolarHBondContact N-O 3.49Å; R707-D722 IonicContact NE-OD2 3.51Å; R707-D722 PolarHBondContact NE-OD2 2.99Å; R707-D722 IonicContact NH2-OD2 3.18Å; R707-D722 PolarHBondContact NH2-OD2 3.07Å; R707-D722 PolarHBondContact O-N 3.34Å
723	R	88.8	Confident	69.7	Low	178 Å²	178	110.1 Å²	110.1	67%	0.672	58%	0.575	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-128.2	129	-176.1	-56.5	-173	-175.8	-128.1	-0.5	108.7	I704 T706 I721	I704-R723 HydrophobicContact CG2-CB 4.15Å; T706-R723 HydrophobicContact CG2-CG 4.03Å; I721-R723 HydrophobicContact CG2-CG 4.39Å
724	D	84.4	Confident	68.5	Low	61 Å²	61	107.5 Å²	107.5	33%	0.326	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-132.2	144.5	177.9	-175.8	21.5	0	0	0	109.9	W693 I704 K705	W693-D724 HydrophobicContact CH2-CB 3.39Å; W693-D724 HydrophobicContact CZ2-CB 3.99Å; W693-D724 HydrophobicContact CZ3-CB 3.71Å; I704-D724 CarbonylContact C-O 3.53Å; I704-D724 WeakPolarHBondContact CA-O 3.03Å; K705-D724 VanDerWaalsContact CE-CB 3.48Å; K705-D724 VanDerWaalsContact CE-CG 3.46Å; K705-D724 WeakPolarHBondContact CE-OD2 3.38Å; K705-D724 HydrophobicContact CG-CB 4.14Å; K705-D724 WeakPolarHBondContact CG-O 3.07Å; K705-D724 PolarHBondContact N-O 2.66Å; K705-D724 IonicContact NZ-OD2 3.99Å; K705-D724 PolarHBondContact NZ-OD2 3.24Å; K705-D724 PolarHBondContact O-N 2.81Å
725	S	83	Confident	67.7	Low	93 Å²	93	111.4 Å²	111.4	65%	0.65	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.5	138.9	174.6	28.9	0	0	0	0	110.4
726	C	84.2	Confident	66.4	Low	18 Å²	18	109.1 Å²	109.1	12%	0.122	59%	0.591	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.3	129.9	171.5	47	0	0	0	0	108.7	C696 G703 I704 K705	C696-C726 WeakPolarHBondContact CA-SG 3.24Å; C696-C726 HydrophobicContact CB-CB 3.93Å; C696-C726 WeakPolarHBondContact CB-SG 3.34Å; C696-C726 WeakPolarHBondContact SG-CB 3.34Å; C696-C726 CovalentContact SG-SG 2.03Å; C696-C726 PolarHBondContact SG-SG 2.81Å; G703-C726 PolarHBondContact N-O 3.15Å; G703-C726 PolarHBondContact O-N 3.33Å; G703-C726 PolarHBondContact O-SG 3.15Å; I704-C726 VanDerWaalsContact C-SG 3.55Å; I704-C726 PolarHBondContact N-SG 2.81Å; K705-C726 HydrophobicContact CD-CB 4.46Å; K705-C726 HydrophobicContact CG-CB 4.39Å
727	R	81.8	Confident	64.6	Low	208 Å²	208	114.3 Å²	114.3	79%	0.785	62%	0.616	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112	103.3	179.9	-170.3	174.1	-78.3	178.7	-3.2	108.2	D702	D702-R727 VanDerWaalsContact OD1-CG 3.3Å; D702-R727 WeakPolarHBondContact OD1-CG 2.97Å; D702-R727 IonicContact OD1-CZ 2.82Å; D702-R727 IonicContact OD1-NE 3.93Å; D702-R727 PolarHBondContact OD1-NE 3.43Å; D702-R727 IonicContact OD1-NH2 2.77Å
728	L	74.2	Confident	63	Low	72 Å²	72	111.7 Å²	111.7	38%	0.377	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-83.6	169.9	174	-65.5	-179.5	0	0	0	110.1	C696 A698 G701	C696-L728 HydrophobicContact CB-CD1 3.98Å; C696-L728 HydrophobicContact CB-CG 4.21Å; A698-L728 WeakPolarHBondContact O-CD1 3.38Å; G701-L728 PolarHBondContact O-N 3.18Å
729	Q	72.8	Confident	61.4	Low	165 Å²	165	116.5 Å²	116.5	77%	0.771	61%	0.607	S	S	*	*	S	Bend	trans	-50.2	143.8	175.3	-80.6	-160.6	-20.4	0	0	111	C700 G701 C731	C700-Q729 WeakPolarHBondContact CA-O 3.04Å; C700-Q729 WeakPolarHBondContact CB-O 3.06Å; G701-Q729 PolarHBondContact N-O 3.21Å; Q729-C731 PolarHBondContact O-N 2.89Å
730	P	61.3	Low	60.1	Low	108 Å²	108	118.3 Å²	118.3	70%	0.701	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-47.9	136.9	176.1	-23.7	31.5	0	0	0	109.6	V732	P730-V732 PolarHBondContact O-N 3.48Å
731	C	49.9	Very low	58.6	Low	69 Å²	69	122.6 Å²	122.6	47%	0.466	63%	0.626	S	S	.	*			trans	-58.1	105	171.3	-62.7	0	0	0	0	107.5	C700 Q729 E733	C700-C731 HydrophobicContact CB-CB 3.84Å; C700-C731 WeakPolarHBondContact CB-SG 3.37Å; C700-C731 PolarHBondContact O-SG 2.99Å; C700-C731 VanDerWaalsContact SG-CA 3.5Å; C700-C731 WeakPolarHBondContact SG-CB 3.46Å; C700-C731 CovalentContact SG-SG 2.03Å; C700-C731 PolarHBondContact SG-SG 2.99Å; Q729-C731 PolarHBondContact O-N 2.89Å; C731-E733 PolarHBondContact O-N 2.67Å
732	V	49.3	Very low	57.6	Low	136 Å²	136	121 Å²	121	82%	0.824	62%	0.622	S	S	*	*			trans	-65.1	107.5	174.2	-124.9	0	0	0	0	105.6	P730 A734	P730-V732 PolarHBondContact O-N 3.48Å; V732-A734 PolarHBondContact O-N 3.15Å; V732-A734 VanDerWaalsContact O-N 3.15Å
733	E	38.9	Very low	56.6	Low	176 Å²	176	122.8 Å²	122.8	82%	0.822	63%	0.631	S	S	*	*			trans	-53.4	123.3	170	-69	-175.1	163	0	0	107.3	C731 R735	C731-E733 PolarHBondContact O-N 2.67Å; E733-R735 PolarHBondContact O-N 2.94Å
734	A	30.9	Very low	56.2	Low	98 Å²	98	117 Å²	117	81%	0.81	61%	0.609	S	S	*	*			trans	-56.3	111.7	165.3	0	0	0	0	0	106.1	V732 S736	V732-A734 PolarHBondContact O-N 3.15Å; V732-A734 VanDerWaalsContact O-N 3.15Å; A734-S736 PolarHBondContact O-N 2.89Å
735	R	33.4	Very low	55.8	Low	238 Å²	238	115.4 Å²	115.4	90%	0.898	60%	0.603	S	S	*	*			trans	-35.1	125	-178.7	-81.1	177	165.1	160.1	-4.9	111.1	E733 I737	E733-R735 PolarHBondContact O-N 2.94Å; R735-I737 PolarHBondContact O-N 3Å
736	S	29.6	Very low	55.7	Low	111 Å²	111	116 Å²	116	78%	0.776	61%	0.607	S	S	*	*			trans	-45.3	119.1	171.6	60.7	0	0	0	0	110.8	A734	A734-S736 PolarHBondContact O-N 2.89Å
737	I	32.7	Very low	55.6	Low	138 Å²	138	118.7 Å²	118.7	71%	0.708	62%	0.615	S	S	*	*			trans	-98.7	108.1	142.4	-57.7	174.9	0	0	0	104	R735 F739	R735-I737 PolarHBondContact O-N 3Å; I737-F739 HydrophobicContact CB-CD2 4.37Å; I737-F739 HydrophobicContact CB-CE2 4.33Å; I737-F739 HydrophobicContact CG2-CD2 3.73Å; I737-F739 HydrophobicContact CG2-CE2 3.42Å; I737-F739 VanDerWaalsContact CG2-CE2 3.42Å; I737-F739 HydrophobicContact CG2-CZ 4.29Å; I737-F739 PolarHBondContact O-N 3.12Å
738	D	33.8	Very low	54.9	Low	106 Å²	106	110.4 Å²	110.4	57%	0.567	59%	0.587	S	S	*	*			trans	-60.4	97.3	177.9	-166.7	14.5	0	0	0	109	K740	D738-K740 WeakPolarHBondContact OD1-CG 3.49Å; D738-K740 IonicContact OD2-NZ 2.95Å; D738-K740 PolarHBondContact OD2-NZ 3.47Å
739	F	38.9	Very low	54.8	Low	156 Å²	156	114.7 Å²	114.7	68%	0.684	61%	0.606	S	S	*	*			trans	-111.7	90	163.8	-79.8	-76.4	0	0	0	107.1	I737 D741	I737-F739 HydrophobicContact CB-CD2 4.37Å; I737-F739 HydrophobicContact CB-CE2 4.33Å; I737-F739 HydrophobicContact CG2-CD2 3.73Å; I737-F739 HydrophobicContact CG2-CE2 3.42Å; I737-F739 VanDerWaalsContact CG2-CE2 3.42Å; I737-F739 HydrophobicContact CG2-CZ 4.29Å; I737-F739 PolarHBondContact O-N 3.12Å; F739-D741 PolarHBondContact O-N 2.6Å
740	K	47.2	Very low	55	Low	165 Å²	165	109.4 Å²	109.4	72%	0.717	58%	0.578	S	S	*	*			trans	-71	-2.5	-173.4	-108.3	163	-171.8	160.5	0	115.9	D738	D738-K740 WeakPolarHBondContact OD1-CG 3.49Å; D738-K740 IonicContact OD2-NZ 2.95Å; D738-K740 PolarHBondContact OD2-NZ 3.47Å
741	D	47.3	Very low	54.9	Low	133 Å²	133	106.9 Å²	106.9	71%	0.711	56%	0.561	S	S	*	*	S	Bend	trans	-114.5	118.1	-172.9	-62.5	-35	0	0	0	112.4	F739 L743	F739-D741 PolarHBondContact O-N 2.6Å; D741-L743 PolarHBondContact O-N 3.49Å
742	P	58.6	Low	55.8	Low	61 Å²	61	109.2 Å²	109.2	40%	0.396	58%	0.576	S	S	.	*			trans	-66	127.2	174.2	24.9	-30.6	0	0	0	110.7	I770 C773	P742-I770 CarbonylContact C-O 3.54Å; P742-I770 WeakPolarHBondContact CA-O 3.35Å; P742-C773 HydrophobicContact CB-CB 4.37Å
743	L	67.5	Low	57	Low	88 Å²	88	104.1 Å²	104.1	46%	0.461	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	109.8	-177.1	-172.2	70	0	0	0	110.8	D741 I769 I770	D741-L743 PolarHBondContact O-N 3.49Å; L743-I769 HydrophobicContact CB-CB 4.44Å; L743-I769 HydrophobicContact CD2-CB 4.2Å; L743-I769 HydrophobicContact CD2-CD1 4.23Å; L743-I769 HydrophobicContact CD2-CG2 4.25Å; L743-I769 HydrophobicContact CG-CB 4.35Å; L743-I769 HydrophobicContact CG-CD1 4.37Å; L743-I769 WeakPolarHBondContact O-CA 3.4Å; L743-I769 WeakPolarHBondContact O-CB 3.25Å; L743-I769 PolarHBondContact O-N 3.41Å; L743-I770 HydrophobicContact CB-CB 4.27Å; L743-I770 HydrophobicContact CD2-CD1 4.49Å; L743-I770 PolarHBondContact N-O 2.98Å; L743-I770 PolarHBondContact O-N 3.27Å
744	W	80.4	Confident	58.3	Low	56 Å²	56	99.8 Å²	99.8	21%	0.212	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	147.1	164.8	-76.2	107	0	0	0	110.9	R766 K767 C768 C773 P774 G775	W744-R766 HydrophobicContact CD2-CG 4.21Å; W744-R766 HydrophobicContact CE3-CB 4.16Å; W744-R766 HydrophobicContact CE3-CG 3.47Å; W744-R766 VanDerWaalsContact CE3-CG 3.47Å; W744-R766 HydrophobicContact CZ3-CG 3.67Å; W744-K767 CarbonylContact C-O 3.53Å; W744-C768 HydrophobicContact CE3-CB 4.49Å; W744-C768 HydrophobicContact CZ3-CB 4.32Å; W744-C773 HydrophobicContact CD2-CB 3.84Å; W744-C773 HydrophobicContact CE3-CB 4.34Å; W744-C773 HydrophobicContact CG-CB 4.38Å; W744-C773 HydrophobicContact CH2-CB 4.01Å; W744-C773 HydrophobicContact CZ2-CB 3.45Å; W744-C773 VanDerWaalsContact CZ2-CB 3.45Å; W744-C773 HydrophobicContact CZ3-CB 4.42Å; W744-P774 VanDerWaalsContact CZ2-O 3.31Å; W744-P774 WeakPolarHBondContact CZ2-O 3.37Å; W744-P774 PolarHBondContact NE1-O 2.86Å; W744-G775 WeakPolarHBondContact CH2-O 3.31Å; W744-G775 WeakPolarHBondContact CZ2-O 3.24Å
745	S	76.4	Confident	59.5	Low	29 Å²	29	97.2 Å²	97.2	20%	0.203	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-67.3	161	159.8	80.4	0	0	0	0	109.9	K767 I769	S745-K767 PolarHBondContact N-O 2.83Å; S745-K767 PolarHBondContact OG-N 3.12Å; S745-I769 VanDerWaalsContact CA-CD1 3.48Å
746	S	80.8	Confident	61	Low	106 Å²	106	90 Å²	90	74%	0.741	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-54.7	147.1	162.1	47.1	0	0	0	0	110.1
747	W	80.9	Confident	63	Low	74 Å²	74	85 Å²	85	28%	0.28	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-60.5	144.7	167.2	-73.4	105.3	0	0	0	109.8	R764 Y765 R766 E779	W747-R764 HydrophobicContact CD2-CG 4.19Å; W747-R764 HydrophobicContact CE3-CB 4.26Å; W747-R764 HydrophobicContact CE3-CG 3.64Å; W747-R764 HydrophobicContact CZ3-CG 4.14Å; W747-R764 WeakPolarHBondContact CZ3-O 3.3Å; W747-Y765 CarbonylContact C-O 3.45Å; W747-Y765 WeakPolarHBondContact CA-O 3.49Å; W747-R766 HydrophobicContact CD2-CB 4.03Å; W747-R766 HydrophobicContact CD2-CG 3.99Å; W747-R766 VanDerWaalsContact CE2-CD 3.49Å; W747-R766 HydrophobicContact CE3-CB 3.89Å; W747-R766 HydrophobicContact CE3-CG 3.8Å; W747-R766 HydrophobicContact CG-CB 4.5Å; W747-R766 HydrophobicContact CH2-CG 3.77Å; W747-R766 VanDerWaalsContact CZ2-CD 3.45Å; W747-R766 HydrophobicContact CZ2-CG 3.96Å; W747-R766 HydrophobicContact CZ3-CB 4.25Å; W747-R766 HydrophobicContact CZ3-CG 3.69Å; W747-E779 HydrophobicContact CH2-CB 3.66Å; W747-E779 HydrophobicContact CZ2-CB 4.28Å; W747-E779 HydrophobicContact CZ3-CB 3.78Å
748	T	68.3	Low	64.9	Low	34 Å²	34	79.5 Å²	79.5	21%	0.209	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-65.5	161.5	164.1	65	0	0	0	0	109.9	R764 Y765	T748-R764 WeakPolarHBondContact O-CB 3.36Å; T748-Y765 WeakPolarHBondContact CG2-O 3.31Å; T748-Y765 PolarHBondContact N-O 3.15Å; T748-Y765 PolarHBondContact OG1-N 3.25Å
749	E	72.7	Confident	66.8	Low	162 Å²	162	78.7 Å²	78.7	76%	0.757	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-54.8	153.7	160.4	-68.5	-58	133.9	0	0	110.7
750	W	76.4	Confident	68.5	Low	53 Å²	53	71.7 Å²	71.7	20%	0.201	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-65.9	141.5	173	-70.9	100.2	0	0	0	110.9	R762 A763 R764 E779 Q781	W750-R762 HydrophobicContact CB-CB 4.39Å; W750-R762 HydrophobicContact CB-CG 4.34Å; W750-R762 HydrophobicContact CD2-CG 4Å; W750-R762 HydrophobicContact CE3-CB 4.02Å; W750-R762 HydrophobicContact CE3-CG 3.57Å; W750-R762 HydrophobicContact CG-CG 4.36Å; W750-R762 HydrophobicContact CZ3-CG 4.18Å; W750-R762 WeakPolarHBondContact CZ3-O 3.49Å; W750-A763 CarbonylContact C-O 3.59Å; W750-A763 WeakPolarHBondContact CA-O 3.44Å; W750-R764 HydrophobicContact CD2-CB 4.11Å; W750-R764 HydrophobicContact CD2-CG 3.98Å; W750-R764 VanDerWaalsContact CE2-CD 3.49Å; W750-R764 HydrophobicContact CE3-CB 4.01Å; W750-R764 HydrophobicContact CE3-CG 3.91Å; W750-R764 HydrophobicContact CH2-CG 3.8Å; W750-R764 HydrophobicContact CZ2-CG 3.89Å; W750-R764 HydrophobicContact CZ3-CB 4.35Å; W750-R764 HydrophobicContact CZ3-CG 3.82Å; W750-E779 HydrophobicContact CH2-CB 4.19Å; W750-E779 HydrophobicContact CH2-CG 3.82Å; W750-E779 WeakPolarHBondContact CZ3-O 3.5Å; W750-Q781 HydrophobicContact CE3-CB 4.31Å; W750-Q781 HydrophobicContact CH2-CB 3.25Å; W750-Q781 HydrophobicContact CH2-CG 4.37Å; W750-Q781 HydrophobicContact CZ2-CB 3.84Å; W750-Q781 HydrophobicContact CZ3-CB 3.52Å
751	T	59.9	Low	69.5	Low	56 Å²	56	65.7 Å²	65.7	34%	0.344	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-59.9	157.2	166.5	62.5	0	0	0	0	110.4	R762 A763	T751-R762 VanDerWaalsContact O-CB 3.24Å; T751-R762 WeakPolarHBondContact O-CB 3.49Å; T751-R762 WeakPolarHBondContact OG1-CA 3.4Å; T751-A763 WeakPolarHBondContact CG2-O 3.03Å; T751-A763 PolarHBondContact N-O 2.79Å; T751-A763 PolarHBondContact OG1-N 2.66Å
752	P	68.6	Low	71	Confident	118 Å²	118	63.6 Å²	63.6	77%	0.766	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-51.6	153.4	163.5	-23.9	34.2	0	0	0	111.1	S754	P752-S754 PolarHBondContact O-N 3.17Å
753	C	74	Confident	71.5	Confident	29 Å²	29	61.3 Å²	61.3	20%	0.196	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-61.2	137.5	175.9	-160.7	0	0	0	0	110.2	T755 C783 M785	C753-T755 PolarHBondContact O-N 3.22Å; C753-T755 VanDerWaalsContact O-N 3.1Å; C753-C783 WeakPolarHBondContact CA-SG 3.38Å; C753-C783 HydrophobicContact CB-CB 3.91Å; C753-C783 WeakPolarHBondContact CB-SG 3.49Å; C753-C783 WeakPolarHBondContact SG-CB 3.24Å; C753-C783 CovalentContact SG-SG 2.02Å; C753-C783 PolarHBondContact SG-SG 3.12Å; C753-M785 HydrophobicContact CB-CG 3.92Å; C753-M785 HydrophobicContact CB-SD 3.82Å
754	S	67	Low	72.2	Confident	85 Å²	85	60.1 Å²	60.1	59%	0.594	34%	0.344	S	S	*	.	S	Bend	trans	-63.2	-14.5	-179.5	64.1	0	0	0	0	113.9	P752 G760 A761	P752-S754 PolarHBondContact O-N 3.17Å; S754-G760 WeakPolarHBondContact OG-CA 3.25Å; S754-A761 WeakPolarHBondContact CB-O 3.36Å; S754-A761 PolarHBondContact N-O 2.81Å; S754-A761 PolarHBondContact OG-N 3.49Å; S754-A761 PolarHBondContact OG-O 2.91Å
755	T	55.6	Low	72	Confident	43 Å²	43	62.1 Å²	62.1	26%	0.264	35%	0.352	S	S	.	.			trans	-118.9	154.9	175.3	61.6	0	0	0	0	110.5	C753 C757 T759 G760 M785	C753-T755 PolarHBondContact O-N 3.22Å; C753-T755 VanDerWaalsContact O-N 3.1Å; T755-C757 VanDerWaalsContact CB-O 3.26Å; T755-C757 WeakPolarHBondContact CB-O 3.06Å; T755-C757 PolarHBondContact OG1-O 3.04Å; T755-T759 VanDerWaalsContact CG2-O 3.32Å; T755-T759 WeakPolarHBondContact CG2-O 3.47Å; T755-T759 PolarHBondContact OG1-O 3.25Å; T755-G760 WeakPolarHBondContact OG1-CA 3.47Å; T755-G760 PolarHBondContact OG1-N 3.44Å; T755-M785 WeakPolarHBondContact O-CG 3Å
756	T	64.9	Low	72.2	Confident	86 Å²	86	63 Å²	63	53%	0.528	35%	0.351	S	S	.	.	S	Bend	trans	-93.9	-11.4	174.1	54.9	0	0	0	0	113.1	R819	T756-R819 VanDerWaalsContact O-CD 3.28Å; T756-R819 WeakPolarHBondContact O-CD 3.41Å; T756-R819 PolarHBondContact O-NH1 3.13Å; T756-R819 VanDerWaalsContact O-NH1 3.15Å
757	C	71.1	Confident	71.8	Confident	7 Å²	7	65.5 Å²	65.5	5%	0.047	35%	0.348	C	S	.	.	S	Bend	trans	-153.1	156.7	176.7	63.7	0	0	0	0	109.5	T755 P786 C788 R819	T755-C757 VanDerWaalsContact CB-O 3.26Å; T755-C757 WeakPolarHBondContact CB-O 3.06Å; T755-C757 PolarHBondContact OG1-O 3.04Å; C757-P786 CarbonylContact C-O 3.56Å; C757-P786 WeakPolarHBondContact CA-O 3.43Å; C757-P786 VanDerWaalsContact CB-O 3.23Å; C757-P786 WeakPolarHBondContact CB-O 3.27Å; C757-C788 HydrophobicContact CB-CB 3.86Å; C757-C788 WeakPolarHBondContact CB-SG 3.42Å; C757-C788 PolarHBondContact O-SG 2.96Å; C757-C788 VanDerWaalsContact O-SG 3.41Å; C757-C788 WeakPolarHBondContact SG-CA 3.48Å; C757-C788 WeakPolarHBondContact SG-CB 3.04Å; C757-C788 CovalentContact SG-SG 2.04Å; C757-C788 PolarHBondContact SG-SG 3.17Å; C757-R819 HydrophobicContact CB-CB 4.26Å
758	G	72.9	Confident	71.4	Confident	22 Å²	22	64.8 Å²	64.8	23%	0.227	35%	0.354	C	S	.	.	S	Bend	trans	69.7	-161.8	-178	0	0	0	0	0	114.2	M785 P786	G758-M785 PolarHBondContact N-O 3.47Å; G758-M785 WeakPolarHBondContact O-CA 3.41Å; G758-M785 WeakPolarHBondContact O-CB 3.36Å; G758-M785 PolarHBondContact O-N 2.02Å; G758-P786 PolarHBondContact N-O 2.71Å
759	T	74.4	Confident	71	Confident	89 Å²	89	67.9 Å²	67.9	55%	0.546	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.1	178.3	45.1	0	0	0	0	110.9	T755 E784	T755-T759 VanDerWaalsContact CG2-O 3.32Å; T755-T759 WeakPolarHBondContact CG2-O 3.47Å; T755-T759 PolarHBondContact OG1-O 3.25Å; T759-E784 HydrophobicContact CG2-CG 4.44Å
760	G	73	Confident	70	Confident	10 Å²	10	64.3 Å²	64.3	10%	0.103	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	-171.2	172.4	0	0	0	0	0	110.9	S754 T755 Q782 C783	S754-G760 WeakPolarHBondContact OG-CA 3.25Å; T755-G760 WeakPolarHBondContact OG1-CA 3.47Å; T755-G760 PolarHBondContact OG1-N 3.44Å; G760-Q782 CarbonylContact O-C 3.5Å; G760-Q782 WeakPolarHBondContact O-CA 3.31Å; G760-C783 PolarHBondContact N-O 3.21Å; G760-C783 PolarHBondContact O-N 2.97Å
761	A	68.2	Low	69.2	Low	39 Å²	39	64.4 Å²	64.4	32%	0.322	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	146.3	174.9	0	0	0	0	0	110.2	S754 V780 Q781 C783	S754-A761 WeakPolarHBondContact CB-O 3.36Å; S754-A761 PolarHBondContact N-O 2.81Å; S754-A761 PolarHBondContact OG-N 3.49Å; S754-A761 PolarHBondContact OG-O 2.91Å; A761-V780 HydrophobicContact CB-CG1 4.06Å; A761-Q781 WeakPolarHBondContact CA-O 3.25Å; A761-C783 PolarHBondContact N-SG 3.28Å; A761-C783 VanDerWaalsContact N-SG 3.41Å
762	R	79.4	Confident	69.6	Low	89 Å²	89	69.3 Å²	69.3	34%	0.336	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.8	170.3	55.9	-179.2	-166.7	-178.2	-2.4	109	W750 T751 V780 Q781 C783	W750-R762 HydrophobicContact CB-CB 4.39Å; W750-R762 HydrophobicContact CB-CG 4.34Å; W750-R762 HydrophobicContact CD2-CG 4Å; W750-R762 HydrophobicContact CE3-CB 4.02Å; W750-R762 HydrophobicContact CE3-CG 3.57Å; W750-R762 HydrophobicContact CG-CG 4.36Å; W750-R762 HydrophobicContact CZ3-CG 4.18Å; W750-R762 WeakPolarHBondContact CZ3-O 3.49Å; T751-R762 VanDerWaalsContact O-CB 3.24Å; T751-R762 WeakPolarHBondContact O-CB 3.49Å; T751-R762 WeakPolarHBondContact OG1-CA 3.4Å; R762-V780 CarbonylContact O-C 3.55Å; R762-V780 WeakPolarHBondContact O-CA 3.32Å; R762-Q781 HydrophobicContact CG-CB 4.32Å; R762-Q781 WeakPolarHBondContact CG-O 3.37Å; R762-Q781 VanDerWaalsContact CZ-OE1 3.25Å; R762-Q781 PolarHBondContact N-O 2.92Å; R762-Q781 PolarHBondContact O-N 3.05Å; R762-C783 HydrophobicContact CG-CB 4.1Å
763	A	70.1	Confident	69.8	Low	13 Å²	13	64.6 Å²	64.6	11%	0.107	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	151.8	-179.3	0	0	0	0	0	111.7	W750 T751 Y765 E779 V780	W750-A763 CarbonylContact C-O 3.59Å; W750-A763 WeakPolarHBondContact CA-O 3.44Å; T751-A763 WeakPolarHBondContact CG2-O 3.03Å; T751-A763 PolarHBondContact N-O 2.79Å; T751-A763 PolarHBondContact OG1-N 2.66Å; A763-Y765 HydrophobicContact CB-CE2 4.4Å; A763-E779 CarbonylContact C-O 3.44Å; A763-E779 VanDerWaalsContact CA-O 3.25Å; A763-E779 WeakPolarHBondContact CA-O 3.36Å; A763-V780 HydrophobicContact CB-CG2 4.28Å
764	R	81.1	Confident	69.8	Low	63 Å²	63	67.9 Å²	67.9	24%	0.238	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161	167.7	62.7	177.4	-173.2	-174.3	-6.1	110.7	W747 T748 W750 N778 E779	W747-R764 HydrophobicContact CD2-CG 4.19Å; W747-R764 HydrophobicContact CE3-CB 4.26Å; W747-R764 HydrophobicContact CE3-CG 3.64Å; W747-R764 HydrophobicContact CZ3-CG 4.14Å; W747-R764 WeakPolarHBondContact CZ3-O 3.3Å; T748-R764 WeakPolarHBondContact O-CB 3.36Å; W750-R764 HydrophobicContact CD2-CB 4.11Å; W750-R764 HydrophobicContact CD2-CG 3.98Å; W750-R764 VanDerWaalsContact CE2-CD 3.49Å; W750-R764 HydrophobicContact CE3-CB 4.01Å; W750-R764 HydrophobicContact CE3-CG 3.91Å; W750-R764 HydrophobicContact CH2-CG 3.8Å; W750-R764 HydrophobicContact CZ2-CG 3.89Å; W750-R764 HydrophobicContact CZ3-CB 4.35Å; W750-R764 HydrophobicContact CZ3-CG 3.82Å; R764-N778 WeakPolarHBondContact O-CA 3.32Å; R764-E779 HydrophobicContact CG-CB 3.94Å; R764-E779 IonicContact CZ-OE1 3.49Å; R764-E779 IonicContact CZ-OE2 3.76Å; R764-E779 PolarHBondContact N-O 3.03Å; R764-E779 IonicContact NE-OE1 3.76Å; R764-E779 IonicContact NE-OE2 2.92Å; R764-E779 PolarHBondContact NE-OE2 3.26Å; R764-E779 VanDerWaalsContact NH2-CD 3.27Å; R764-E779 IonicContact NH2-OE1 3.02Å; R764-E779 PolarHBondContact NH2-OE1 2.92Å; R764-E779 VanDerWaalsContact NH2-OE1 3.09Å; R764-E779 IonicContact NH2-OE2 3.79Å; R764-E779 PolarHBondContact NH2-OE2 2.8Å; R764-E779 PolarHBondContact O-N 3.15Å
765	Y	76.5	Confident	70	Confident	97 Å²	97	66.6 Å²	66.6	38%	0.38	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.9	-170.5	-51.7	-87.5	0	0	0	111.7	W747 T748 A763 Y777 N778	W747-Y765 CarbonylContact C-O 3.45Å; W747-Y765 WeakPolarHBondContact CA-O 3.49Å; T748-Y765 WeakPolarHBondContact CG2-O 3.31Å; T748-Y765 PolarHBondContact N-O 3.15Å; T748-Y765 PolarHBondContact OG1-N 3.25Å; A763-Y765 HydrophobicContact CB-CE2 4.4Å; Y765-Y777 CarbonylContact C-O 3.57Å; Y765-Y777 WeakPolarHBondContact CA-O 3.47Å; Y765-N778 HydrophobicContact CD1-CB 3.93Å; Y765-N778 HydrophobicContact CE1-CB 4.18Å
766	R	81.1	Confident	70.9	Confident	49 Å²	49	67.3 Å²	67.3	19%	0.185	39%	0.393	C	S	.	.			trans	-142.8	161.5	170.3	59.3	175.6	-179.5	175.4	4.2	110.1	W744 W747 S776 Y777	W744-R766 HydrophobicContact CD2-CG 4.21Å; W744-R766 HydrophobicContact CE3-CB 4.16Å; W744-R766 HydrophobicContact CE3-CG 3.47Å; W744-R766 VanDerWaalsContact CE3-CG 3.47Å; W744-R766 HydrophobicContact CZ3-CG 3.67Å; W747-R766 HydrophobicContact CD2-CB 4.03Å; W747-R766 HydrophobicContact CD2-CG 3.99Å; W747-R766 VanDerWaalsContact CE2-CD 3.49Å; W747-R766 HydrophobicContact CE3-CB 3.89Å; W747-R766 HydrophobicContact CE3-CG 3.8Å; W747-R766 HydrophobicContact CG-CB 4.5Å; W747-R766 HydrophobicContact CH2-CG 3.77Å; W747-R766 VanDerWaalsContact CZ2-CD 3.45Å; W747-R766 HydrophobicContact CZ2-CG 3.96Å; W747-R766 HydrophobicContact CZ3-CB 4.25Å; W747-R766 HydrophobicContact CZ3-CG 3.69Å; R766-S776 PolarHBondContact NE-O 3.04Å; R766-S776 PolarHBondContact NH2-O 2.98Å; R766-Y777 PolarHBondContact N-O 2.03Å
767	K	71.3	Confident	71.6	Confident	157 Å²	157	70.5 Å²	70.5	68%	0.683	40%	0.396	S	S	*	.			trans	-115.5	144	-179.9	-63.5	-178.8	-179.9	-179.9	0	110.1	W744 S745 I769	W744-K767 CarbonylContact C-O 3.53Å; S745-K767 PolarHBondContact N-O 2.83Å; S745-K767 PolarHBondContact OG-N 3.12Å; K767-I769 PolarHBondContact O-N 2.92Å
768	C	72.5	Confident	72	Confident	59 Å²	59	72.8 Å²	72.8	40%	0.399	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	114.4	165.1	-172.5	0	0	0	0	107.9	W744 G771 C773	W744-C768 HydrophobicContact CE3-CB 4.49Å; W744-C768 HydrophobicContact CZ3-CB 4.32Å; C768-G771 PolarHBondContact SG-O 3.49Å; C768-C773 WeakPolarHBondContact CA-SG 3.07Å; C768-C773 HydrophobicContact CB-CB 3.72Å; C768-C773 WeakPolarHBondContact CB-SG 3.07Å; C768-C773 WeakPolarHBondContact SG-CB 3.48Å; C768-C773 PolarHBondContact SG-N 3.4Å; C768-C773 CovalentContact SG-SG 2.04Å; C768-C773 PolarHBondContact SG-SG 2.91Å
769	I	61	Low	72.4	Confident	100 Å²	100	74.7 Å²	74.7	51%	0.513	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	-47.1	-176.4	-55.5	179.2	0	0	0	109.5	L743 S745 K767	L743-I769 HydrophobicContact CB-CB 4.44Å; L743-I769 HydrophobicContact CD2-CB 4.2Å; L743-I769 HydrophobicContact CD2-CD1 4.23Å; L743-I769 HydrophobicContact CD2-CG2 4.25Å; L743-I769 HydrophobicContact CG-CB 4.35Å; L743-I769 HydrophobicContact CG-CD1 4.37Å; L743-I769 WeakPolarHBondContact O-CA 3.4Å; L743-I769 WeakPolarHBondContact O-CB 3.25Å; L743-I769 PolarHBondContact O-N 3.41Å; S745-I769 VanDerWaalsContact CA-CD1 3.48Å; K767-I769 PolarHBondContact O-N 2.92Å
770	I	52.2	Low	72.5	Confident	87 Å²	87	75 Å²	75	45%	0.446	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	138.3	-178	-62.4	169	0	0	0	108.5	P742 L743	P742-I770 CarbonylContact C-O 3.54Å; P742-I770 WeakPolarHBondContact CA-O 3.35Å; L743-I770 HydrophobicContact CB-CB 4.27Å; L743-I770 HydrophobicContact CD2-CD1 4.49Å; L743-I770 PolarHBondContact N-O 2.98Å; L743-I770 PolarHBondContact O-N 3.27Å
771	G	58.4	Low	72.8	Confident	55 Å²	55	78.3 Å²	78.3	57%	0.567	43%	0.425	S	S	*	.	S	Bend	trans	88.7	-170	173.5	0	0	0	0	0	115	C768	C768-G771 PolarHBondContact SG-O 3.49Å
772	N	68.5	Low	73.5	Confident	159 Å²	159	82.7 Å²	82.7	85%	0.85	44%	0.439	S	S	*	.			trans	-99.2	90	176.9	-157.6	13.6	0	0	0	108.4	P774	N772-P774 VanDerWaalsContact O-CD 3.27Å; N772-P774 WeakPolarHBondContact O-CD 2.91Å
773	C	72.6	Confident	73.4	Confident	19 Å²	19	79 Å²	79	13%	0.128	43%	0.427	C	S	.	.			trans	-79	117	-169.4	-54.3	0	0	0	0	112.6	P742 W744 C768	P742-C773 HydrophobicContact CB-CB 4.37Å; W744-C773 HydrophobicContact CD2-CB 3.84Å; W744-C773 HydrophobicContact CE3-CB 4.34Å; W744-C773 HydrophobicContact CG-CB 4.38Å; W744-C773 HydrophobicContact CH2-CB 4.01Å; W744-C773 HydrophobicContact CZ2-CB 3.45Å; W744-C773 VanDerWaalsContact CZ2-CB 3.45Å; W744-C773 HydrophobicContact CZ3-CB 4.42Å; C768-C773 WeakPolarHBondContact CA-SG 3.07Å; C768-C773 HydrophobicContact CB-CB 3.72Å; C768-C773 WeakPolarHBondContact CB-SG 3.07Å; C768-C773 WeakPolarHBondContact SG-CB 3.48Å; C768-C773 PolarHBondContact SG-N 3.4Å; C768-C773 CovalentContact SG-SG 2.04Å; C768-C773 PolarHBondContact SG-SG 2.91Å
774	P	73.8	Confident	74	Confident	97 Å²	97	86.2 Å²	86.2	63%	0.63	46%	0.459	S	S	*	.			trans	-73.4	143.7	175.4	29.1	-33.1	0	0	0	111.8	W744 N772	W744-P774 VanDerWaalsContact CZ2-O 3.31Å; W744-P774 WeakPolarHBondContact CZ2-O 3.37Å; W744-P774 PolarHBondContact NE1-O 2.86Å; N772-P774 VanDerWaalsContact O-CD 3.27Å; N772-P774 WeakPolarHBondContact O-CD 2.91Å
775	G	72.5	Confident	73.6	Confident	59 Å²	59	86 Å²	86	61%	0.608	46%	0.461	S	S	*	.	S	Bend	trans	101.7	170.9	178.5	0	0	0	0	0	114.4	W744	W744-G775 WeakPolarHBondContact CH2-O 3.31Å; W744-G775 WeakPolarHBondContact CZ2-O 3.24Å
776	S	73.1	Confident	73.6	Confident	58 Å²	58	85.5 Å²	85.5	41%	0.406	47%	0.469	S	S	.	.			trans	-73.2	148.4	-176.7	-168.5	0	0	0	0	112.7	R766 N778	R766-S776 PolarHBondContact NE-O 3.04Å; R766-S776 PolarHBondContact NH2-O 2.98Å; S776-N778 VanDerWaalsContact C-N 3.3Å; S776-N778 VanDerWaalsContact CB-O 3.28Å; S776-N778 WeakPolarHBondContact CB-O 3.27Å; S776-N778 PolarHBondContact OG-N 2.95Å; S776-N778 PolarHBondContact OG-O 3.4Å; S776-N778 VanDerWaalsContact OG-O 3.07Å; S776-N778 PolarHBondContact OG-OD1 3.35Å
777	Y	80.3	Confident	73.1	Confident	153 Å²	153	87.3 Å²	87.3	60%	0.6	50%	0.495	S	S	*	.	S	Bend	trans	-83.1	-8.7	171	69.4	-88.2	0	0	0	112.6	Y765 R766	Y765-Y777 CarbonylContact C-O 3.57Å; Y765-Y777 WeakPolarHBondContact CA-O 3.47Å; R766-Y777 PolarHBondContact N-O 2.03Å
778	N	79.7	Confident	72.7	Confident	55 Å²	55	82.1 Å²	82.1	29%	0.294	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.1	176.4	70	2.9	0	0	0	111.2	R764 Y765 S776	R764-N778 WeakPolarHBondContact O-CA 3.32Å; Y765-N778 HydrophobicContact CD1-CB 3.93Å; Y765-N778 HydrophobicContact CE1-CB 4.18Å; S776-N778 VanDerWaalsContact C-N 3.3Å; S776-N778 VanDerWaalsContact CB-O 3.28Å; S776-N778 WeakPolarHBondContact CB-O 3.27Å; S776-N778 PolarHBondContact OG-N 2.95Å; S776-N778 PolarHBondContact OG-O 3.4Å; S776-N778 VanDerWaalsContact OG-O 3.07Å; S776-N778 PolarHBondContact OG-OD1 3.35Å
779	E	81.1	Confident	72.8	Confident	62 Å²	62	79.9 Å²	79.9	29%	0.29	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	131.4	172.6	-168.6	-174.7	152.9	0	0	108.2	W747 W750 A763 R764	W747-E779 HydrophobicContact CH2-CB 3.66Å; W747-E779 HydrophobicContact CZ2-CB 4.28Å; W747-E779 HydrophobicContact CZ3-CB 3.78Å; W750-E779 HydrophobicContact CH2-CB 4.19Å; W750-E779 HydrophobicContact CH2-CG 3.82Å; W750-E779 WeakPolarHBondContact CZ3-O 3.5Å; A763-E779 CarbonylContact C-O 3.44Å; A763-E779 VanDerWaalsContact CA-O 3.25Å; A763-E779 WeakPolarHBondContact CA-O 3.36Å; R764-E779 HydrophobicContact CG-CB 3.94Å; R764-E779 IonicContact CZ-OE1 3.49Å; R764-E779 IonicContact CZ-OE2 3.76Å; R764-E779 PolarHBondContact N-O 3.03Å; R764-E779 IonicContact NE-OE1 3.76Å; R764-E779 IonicContact NE-OE2 2.92Å; R764-E779 PolarHBondContact NE-OE2 3.26Å; R764-E779 VanDerWaalsContact NH2-CD 3.27Å; R764-E779 IonicContact NH2-OE1 3.02Å; R764-E779 PolarHBondContact NH2-OE1 2.92Å; R764-E779 VanDerWaalsContact NH2-OE1 3.09Å; R764-E779 IonicContact NH2-OE2 3.79Å; R764-E779 PolarHBondContact NH2-OE2 2.8Å; R764-E779 PolarHBondContact O-N 3.15Å
780	V	76.4	Confident	73.4	Confident	96 Å²	96	82 Å²	82	58%	0.582	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	130.8	177.2	-177.4	0	0	0	0	107.8	A761 R762 A763	A761-V780 HydrophobicContact CB-CG1 4.06Å; R762-V780 CarbonylContact O-C 3.55Å; R762-V780 WeakPolarHBondContact O-CA 3.32Å; A763-V780 HydrophobicContact CB-CG2 4.28Å
781	Q	80.2	Confident	74.7	Confident	79 Å²	79	80.8 Å²	80.8	37%	0.369	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.9	178.2	-174.3	-176.9	48.8	0	0	109.7	W750 A761 R762	W750-Q781 HydrophobicContact CE3-CB 4.31Å; W750-Q781 HydrophobicContact CH2-CB 3.25Å; W750-Q781 HydrophobicContact CH2-CG 4.37Å; W750-Q781 HydrophobicContact CZ2-CB 3.84Å; W750-Q781 HydrophobicContact CZ3-CB 3.52Å; A761-Q781 WeakPolarHBondContact CA-O 3.25Å; R762-Q781 HydrophobicContact CG-CB 4.32Å; R762-Q781 WeakPolarHBondContact CG-O 3.37Å; R762-Q781 VanDerWaalsContact CZ-OE1 3.25Å; R762-Q781 PolarHBondContact N-O 2.92Å; R762-Q781 PolarHBondContact O-N 3.05Å
782	Q	80.9	Confident	76	Confident	130 Å²	130	81 Å²	81	61%	0.607	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	134.3	170.1	-170.1	171.2	0.2	0	0	109.9	G760	G760-Q782 CarbonylContact O-C 3.5Å; G760-Q782 WeakPolarHBondContact O-CA 3.31Å
783	C	79.1	Confident	76.7	Confident	13 Å²	13	78.9 Å²	78.9	9%	0.088	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.2	172.8	44.2	0	0	0	0	109.2	C753 G760 A761 R762	C753-C783 WeakPolarHBondContact CA-SG 3.38Å; C753-C783 HydrophobicContact CB-CB 3.91Å; C753-C783 WeakPolarHBondContact CB-SG 3.49Å; C753-C783 WeakPolarHBondContact SG-CB 3.24Å; C753-C783 CovalentContact SG-SG 2.02Å; C753-C783 PolarHBondContact SG-SG 3.12Å; G760-C783 PolarHBondContact N-O 3.21Å; G760-C783 PolarHBondContact O-N 2.97Å; A761-C783 PolarHBondContact N-SG 3.28Å; A761-C783 VanDerWaalsContact N-SG 3.41Å; R762-C783 HydrophobicContact CG-CB 4.1Å
784	E	81.1	Confident	77.4	Confident	164 Å²	164	81.2 Å²	81.2	77%	0.766	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.8	177.7	-63.8	-175.4	171.4	0	0	108.7	T759	T759-E784 HydrophobicContact CG2-CG 4.44Å
785	M	73.8	Confident	78	Confident	58 Å²	58	79 Å²	79	29%	0.286	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-96.1	159.5	169.9	-61.2	-66	-70.6	0	0	109	C753 T755 G758	C753-M785 HydrophobicContact CB-CG 3.92Å; C753-M785 HydrophobicContact CB-SD 3.82Å; T755-M785 WeakPolarHBondContact O-CG 3Å; G758-M785 PolarHBondContact N-O 3.47Å; G758-M785 WeakPolarHBondContact O-CA 3.41Å; G758-M785 WeakPolarHBondContact O-CB 3.36Å; G758-M785 PolarHBondContact O-N 2.02Å
786	P	75.8	Confident	78.7	Confident	86 Å²	86	80.4 Å²	80.4	56%	0.558	45%	0.448	S	S	*	.	S	Bend	trans	-49.7	145.9	174.9	-26.6	34.7	0	0	0	111.7	C757 G758 C788	C757-P786 CarbonylContact C-O 3.56Å; C757-P786 WeakPolarHBondContact CA-O 3.43Å; C757-P786 VanDerWaalsContact CB-O 3.23Å; C757-P786 WeakPolarHBondContact CB-O 3.27Å; G758-P786 PolarHBondContact N-O 2.71Å; P786-C788 PolarHBondContact O-N 2.94Å
787	A	70.4	Confident	79.4	Confident	87 Å²	87	81 Å²	81	72%	0.719	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-49.4	138.1	-179.5	0	0	0	0	0	111.6
788	C	62.9	Low	79.7	Confident	48 Å²	48	76.3 Å²	76.3	32%	0.324	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-65.9	138.9	176.7	-66.2	0	0	0	0	110.3	C757 P786	C757-C788 HydrophobicContact CB-CB 3.86Å; C757-C788 WeakPolarHBondContact CB-SG 3.42Å; C757-C788 PolarHBondContact O-SG 2.96Å; C757-C788 VanDerWaalsContact O-SG 3.41Å; C757-C788 WeakPolarHBondContact SG-CA 3.48Å; C757-C788 WeakPolarHBondContact SG-CB 3.04Å; C757-C788 CovalentContact SG-SG 2.04Å; C757-C788 PolarHBondContact SG-SG 3.17Å; P786-C788 PolarHBondContact O-N 2.94Å
789	G	74.5	Confident	80	Confident	12 Å²	12	80.8 Å²	80.8	12%	0.124	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-66.6	162.9	168.6	0	0	0	0	0	111.5	D816 R819 C820	G789-D816 CarbonylContact C-O 3.43Å; G789-D816 VanDerWaalsContact CA-O 3.23Å; G789-D816 WeakPolarHBondContact CA-O 3.45Å; G789-R819 PolarHBondContact N-O 3.45Å; G789-C820 PolarHBondContact O-SG 3.49Å; G789-C820 VanDerWaalsContact O-SG 3.4Å
790	H	73.1	Confident	80.1	Confident	144 Å²	144	79.2 Å²	79.2	67%	0.667	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	133.8	176	-66.8	-72.9	0	0	0	110.3	T792 D816	H790-T792 PolarHBondContact O-N 3.06Å; H790-D816 PolarHBondContact N-O 3.32Å; H790-D816 WeakPolarHBondContact O-CB 3.38Å; H790-D816 PolarHBondContact O-N 2.81Å
791	W	80.8	Confident	80.4	Confident	63 Å²	63	77.2 Å²	77.2	24%	0.239	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	130	166.8	-75.3	112.4	0	0	0	109.5	R813 C815 C820 P821 G822 Q824	W791-R813 HydrophobicContact CD2-CG 4.1Å; W791-R813 VanDerWaalsContact CD2-CZ 3.5Å; W791-R813 HydrophobicContact CE3-CB 4.24Å; W791-R813 HydrophobicContact CE3-CG 3.5Å; W791-R813 VanDerWaalsContact CG-NH1 3.32Å; W791-R813 HydrophobicContact CZ3-CG 3.92Å; W791-C815 HydrophobicContact CE3-CB 4.07Å; W791-C815 HydrophobicContact CH2-CB 4.2Å; W791-C815 HydrophobicContact CZ3-CB 3.77Å; W791-C820 HydrophobicContact CD2-CB 3.74Å; W791-C820 HydrophobicContact CE3-CB 4.27Å; W791-C820 HydrophobicContact CG-CB 4.24Å; W791-C820 HydrophobicContact CH2-CB 4.02Å; W791-C820 HydrophobicContact CZ2-CB 3.43Å; W791-C820 VanDerWaalsContact CZ2-CB 3.43Å; W791-C820 WeakPolarHBondContact CZ2-O 3.31Å; W791-C820 HydrophobicContact CZ3-CB 4.4Å; W791-P821 PolarHBondContact NE1-O 3.32Å; W791-G822 WeakPolarHBondContact CZ2-O 3.43Å; W791-Q824 HydrophobicContact CH2-CB 4.17Å; W791-Q824 HydrophobicContact CZ3-CB 4.26Å; W791-Q824 HydrophobicContact CZ3-CG 4.25Å
792	T	85.1	Confident	79.8	Confident	60 Å²	60	74 Å²	74	37%	0.368	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-61	162.5	162.7	55.3	0	0	0	0	110.5	H790 W794 L814	H790-T792 PolarHBondContact O-N 3.06Å; T792-W794 PolarHBondContact O-N 2.73Å; T792-L814 HydrophobicContact CG2-CB 4.17Å; T792-L814 PolarHBondContact N-O 2.81Å; T792-L814 WeakPolarHBondContact OG1-CA 3.14Å; T792-L814 PolarHBondContact OG1-N 3.32Å; T792-L814 PolarHBondContact OG1-O 2.02Å
793	S	83.5	Confident	79.6	Confident	114 Å²	114	72.9 Å²	72.9	80%	0.797	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-56.2	140.8	172	-68.7	0	0	0	0	110.2	S795	S793-S795 PolarHBondContact O-N 2.84Å
794	W	87	Confident	79.3	Confident	68 Å²	68	73.7 Å²	73.7	26%	0.258	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-56.6	140.1	171.4	-72.9	102.3	0	0	0	110.7	T792 R811 S812 R813 D823 Q826	T792-W794 PolarHBondContact O-N 2.73Å; W794-R811 HydrophobicContact CD2-CG 4.14Å; W794-R811 HydrophobicContact CE3-CB 4.28Å; W794-R811 HydrophobicContact CE3-CG 3.6Å; W794-R811 HydrophobicContact CZ3-CG 4.11Å; W794-R811 WeakPolarHBondContact CZ3-O 3.31Å; W794-S812 CarbonylContact C-O 3.56Å; W794-R813 HydrophobicContact CD2-CB 4.1Å; W794-R813 HydrophobicContact CD2-CG 3.98Å; W794-R813 VanDerWaalsContact CE2-CD 3.47Å; W794-R813 HydrophobicContact CE3-CB 3.88Å; W794-R813 HydrophobicContact CE3-CG 3.71Å; W794-R813 HydrophobicContact CH2-CG 3.8Å; W794-R813 VanDerWaalsContact CZ2-CD 3.49Å; W794-R813 HydrophobicContact CZ2-CG 4.07Å; W794-R813 VanDerWaalsContact CZ2-CZ 3.49Å; W794-R813 HydrophobicContact CZ3-CB 4.26Å; W794-R813 HydrophobicContact CZ3-CG 3.62Å; W794-D823 WeakPolarHBondContact CH2-O 3.18Å; W794-Q826 HydrophobicContact CH2-CB 3.72Å; W794-Q826 HydrophobicContact CZ2-CB 4.31Å; W794-Q826 HydrophobicContact CZ3-CB 3.88Å
795	S	87.6	Confident	78.6	Confident	50 Å²	50	67 Å²	67	35%	0.35	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-57	163.2	166.7	75.2	0	0	0	0	110.5	S793 R811 S812	S793-S795 PolarHBondContact O-N 2.84Å; S795-R811 WeakPolarHBondContact OG-CA 3.21Å; S795-S812 WeakPolarHBondContact CB-O 3.44Å; S795-S812 PolarHBondContact N-O 3.46Å; S795-S812 PolarHBondContact OG-N 2.83Å; S795-S812 PolarHBondContact OG-O 2.78Å
796	A	86.5	Confident	78.4	Confident	88 Å²	88	68.4 Å²	68.4	73%	0.727	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-53.9	148.5	163.1	0	0	0	0	0	109.9
797	W	87	Confident	78.6	Confident	71 Å²	71	64.4 Å²	64.4	27%	0.269	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-63.5	137.4	167.5	-73.9	105.5	0	0	0	108.8	R809 R810 R811 Q826 F828	W797-R809 HydrophobicContact CB-CB 4.42Å; W797-R809 HydrophobicContact CB-CG 4.49Å; W797-R809 HydrophobicContact CD2-CG 4.04Å; W797-R809 HydrophobicContact CE3-CB 4.02Å; W797-R809 HydrophobicContact CE3-CG 3.6Å; W797-R809 HydrophobicContact CG-CG 4.45Å; W797-R809 HydrophobicContact CZ3-CG 4.15Å; W797-R809 VanDerWaalsContact CZ3-O 3.29Å; W797-R809 WeakPolarHBondContact CZ3-O 3.38Å; W797-R810 CarbonylContact C-O 3.51Å; W797-R810 WeakPolarHBondContact CA-O 3.14Å; W797-R810 VanDerWaalsContact CE3-C 3.44Å; W797-R811 HydrophobicContact CD2-CB 4.07Å; W797-R811 HydrophobicContact CD2-CG 3.97Å; W797-R811 VanDerWaalsContact CE2-CD 3.42Å; W797-R811 HydrophobicContact CE3-CB 3.89Å; W797-R811 HydrophobicContact CE3-CG 3.79Å; W797-R811 HydrophobicContact CH2-CG 3.72Å; W797-R811 VanDerWaalsContact CZ2-CD 3.45Å; W797-R811 HydrophobicContact CZ2-CG 3.91Å; W797-R811 VanDerWaalsContact CZ2-NE 3.3Å; W797-R811 HydrophobicContact CZ3-CB 4.22Å; W797-R811 HydrophobicContact CZ3-CG 3.67Å; W797-Q826 HydrophobicContact CH2-CB 4.18Å; W797-Q826 HydrophobicContact CH2-CG 4Å; W797-Q826 WeakPolarHBondContact CZ3-O 3.46Å; W797-F828 HydrophobicContact CE3-CB 4.4Å; W797-F828 HydrophobicContact CH2-CB 3.51Å; W797-F828 HydrophobicContact CH2-CG 4.47Å; W797-F828 HydrophobicContact CZ2-CB 4.09Å; W797-F828 HydrophobicContact CZ3-CB 3.68Å
798	S	86.4	Confident	78.9	Confident	54 Å²	54	62.3 Å²	62.3	38%	0.378	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-59.7	161.2	165.7	73.8	0	0	0	0	110.4	R809 R810	S798-R809 VanDerWaalsContact O-CB 3.23Å; S798-R809 WeakPolarHBondContact O-CB 3.49Å; S798-R809 WeakPolarHBondContact OG-CA 3.39Å; S798-R810 PolarHBondContact N-O 3.4Å; S798-R810 PolarHBondContact OG-N 3.47Å
799	D	86	Confident	80.1	Confident	149 Å²	149	64 Å²	64	80%	0.797	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-55.5	158.3	165.2	-64	-44.4	0	0	0	111.1	S801	D799-S801 PolarHBondContact O-N 2.88Å
800	C	84.2	Confident	80.7	Confident	30 Å²	30	70.3 Å²	70.3	20%	0.203	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-61.8	129.3	173.8	-165.1	0	0	0	0	109	A802 G807 C830 E832	C800-A802 PolarHBondContact O-N 2.89Å; C800-G807 VanDerWaalsContact SG-CA 3.58Å; C800-C830 WeakPolarHBondContact CA-SG 3.3Å; C800-C830 HydrophobicContact CB-CB 3.91Å; C800-C830 WeakPolarHBondContact CB-SG 3.44Å; C800-C830 WeakPolarHBondContact SG-CB 3.49Å; C800-C830 CovalentContact SG-SG 2.02Å; C800-C830 PolarHBondContact SG-SG 3.4Å; C800-E832 HydrophobicContact CB-CG 4.47Å
801	S	81.7	Confident	81.6	Confident	54 Å²	54	66.4 Å²	66.4	38%	0.378	37%	0.374	S	S	.	.	S	Bend	trans	-64.9	-5.2	-179.3	71.5	0	0	0	0	114.6	D799 V808 I864	D799-S801 PolarHBondContact O-N 2.88Å; S801-V808 VanDerWaalsContact CB-O 3.29Å; S801-V808 WeakPolarHBondContact CB-O 3.34Å; S801-V808 PolarHBondContact N-O 3.48Å; S801-V808 PolarHBondContact OG-N 3.35Å; S801-V808 PolarHBondContact OG-O 2.92Å; S801-I864 VanDerWaalsContact O-CD1 3.26Å; S801-I864 WeakPolarHBondContact O-CD1 3.47Å
802	A	67.8	Low	81.9	Confident	12 Å²	12	65.9 Å²	65.9	10%	0.099	38%	0.38	C	S	.	.			trans	-130.9	143.8	178	0	0	0	0	0	109.4	C800 C804 E832	C800-A802 PolarHBondContact O-N 2.89Å; A802-C804 WeakPolarHBondContact CB-O 3.24Å; A802-E832 VanDerWaalsContact O-CG 3.26Å; A802-E832 WeakPolarHBondContact O-CG 3.47Å
803	T	76.3	Confident	82	Confident	106 Å²	106	65 Å²	65	65%	0.65	37%	0.37	S	S	*	.	S	Bend	trans	-93.6	-5.1	177.2	52.9	0	0	0	0	113.5
804	C	73.6	Confident	82.1	Confident	30 Å²	30	65.1 Å²	65.1	20%	0.203	36%	0.361	C	S	.	.	S	Bend	trans	-153.6	154.9	172.7	68	0	0	0	0	108	A802 R833 C835	A802-C804 WeakPolarHBondContact CB-O 3.24Å; C804-R833 CarbonylContact C-O 3.6Å; C804-R833 WeakPolarHBondContact CA-O 3.04Å; C804-R833 HydrophobicContact CB-CG 4.17Å; C804-R833 WeakPolarHBondContact CB-O 3.33Å; C804-C835 HydrophobicContact CB-CB 3.97Å; C804-C835 WeakPolarHBondContact CB-SG 3.37Å; C804-C835 PolarHBondContact O-SG 3.08Å; C804-C835 VanDerWaalsContact O-SG 3.39Å; C804-C835 WeakPolarHBondContact SG-CB 3.37Å; C804-C835 CovalentContact SG-SG 2.04Å; C804-C835 PolarHBondContact SG-SG 3.04Å
805	G	67.5	Low	81.7	Confident	22 Å²	22	64 Å²	64	23%	0.227	36%	0.363	C	S	.	.	S	Bend	trans	70.7	-151.4	179.6	0	0	0	0	0	113.8	H831 E832 R833	G805-H831 CarbonylContact O-C 3.46Å; G805-H831 WeakPolarHBondContact O-CA 3.4Å; G805-E832 PolarHBondContact O-N 3.21Å; G805-R833 PolarHBondContact N-O 2.87Å
806	V	68.2	Low	81.3	Confident	89 Å²	89	67.3 Å²	67.3	54%	0.539	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	119.9	-178.2	-175.7	0	0	0	0	109.7	M829 C830	V806-M829 HydrophobicContact CG1-CB 4.5Å; V806-M829 HydrophobicContact CG1-SD 4.36Å; V806-C830 CarbonylContact C-O 3.49Å; V806-C830 WeakPolarHBondContact CA-O 3Å
807	G	79.9	Confident	80.3	Confident	2 Å²	2	65.2 Å²	65.2	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	-172.5	171.5	0	0	0	0	0	112.1	C800 M829 C830	C800-G807 VanDerWaalsContact SG-CA 3.58Å; G807-M829 WeakPolarHBondContact O-CA 3.43Å; G807-C830 PolarHBondContact N-O 3.05Å; G807-C830 PolarHBondContact O-N 2.77Å; G807-C830 PolarHBondContact O-SG 3.06Å
808	V	77	Confident	79.1	Confident	42 Å²	42	66.7 Å²	66.7	26%	0.255	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.5	-176.9	-178.1	0	0	0	0	109.9	S801 T827 F828 C830	S801-V808 VanDerWaalsContact CB-O 3.29Å; S801-V808 WeakPolarHBondContact CB-O 3.34Å; S801-V808 PolarHBondContact N-O 3.48Å; S801-V808 PolarHBondContact OG-N 3.35Å; S801-V808 PolarHBondContact OG-O 2.92Å; V808-T827 HydrophobicContact CB-CG2 4.49Å; V808-T827 HydrophobicContact CG1-CG2 3.02Å; V808-F828 CarbonylContact C-O 3.5Å; V808-F828 WeakPolarHBondContact CA-O 3.48Å; V808-C830 PolarHBondContact N-SG 3.13Å; V808-C830 VanDerWaalsContact N-SG 3.37Å
809	R	88.4	Confident	78.1	Confident	84 Å²	84	70.2 Å²	70.2	32%	0.317	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.6	168.3	58.6	179.7	-173.4	-177.4	-3.3	110.6	W797 S798 F828	W797-R809 HydrophobicContact CB-CB 4.42Å; W797-R809 HydrophobicContact CB-CG 4.49Å; W797-R809 HydrophobicContact CD2-CG 4.04Å; W797-R809 HydrophobicContact CE3-CB 4.02Å; W797-R809 HydrophobicContact CE3-CG 3.6Å; W797-R809 HydrophobicContact CG-CG 4.45Å; W797-R809 HydrophobicContact CZ3-CG 4.15Å; W797-R809 VanDerWaalsContact CZ3-O 3.29Å; W797-R809 WeakPolarHBondContact CZ3-O 3.38Å; S798-R809 VanDerWaalsContact O-CB 3.23Å; S798-R809 WeakPolarHBondContact O-CB 3.49Å; S798-R809 WeakPolarHBondContact OG-CA 3.39Å; R809-F828 HydrophobicContact CG-CB 3.93Å; R809-F828 HydrophobicContact CG-CD1 4.41Å; R809-F828 WeakPolarHBondContact CG-O 3.44Å; R809-F828 PolarHBondContact N-O 3.03Å; R809-F828 VanDerWaalsContact NE-CD1 3.33Å; R809-F828 PolarHBondContact O-N 3.33Å
810	R	87.2	Confident	77.3	Confident	145 Å²	145	64.1 Å²	64.1	55%	0.547	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.3	-179.1	-60.4	-175.8	-172.6	116.5	0.1	111.2	W797 S798 Q826 T827	W797-R810 CarbonylContact C-O 3.51Å; W797-R810 WeakPolarHBondContact CA-O 3.14Å; W797-R810 VanDerWaalsContact CE3-C 3.44Å; S798-R810 PolarHBondContact N-O 3.4Å; S798-R810 PolarHBondContact OG-N 3.47Å; R810-Q826 CarbonylContact C-O 3.56Å; R810-Q826 WeakPolarHBondContact CA-O 3.35Å; R810-T827 HydrophobicContact CG-CG2 4.5Å
811	R	91.9	Very high	76.3	Confident	62 Å²	62	66.6 Å²	66.6	23%	0.234	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.5	167	63.8	178.1	-173.8	173.8	1.6	109.9	W794 S795 W797 E825 Q826	W794-R811 HydrophobicContact CD2-CG 4.14Å; W794-R811 HydrophobicContact CE3-CB 4.28Å; W794-R811 HydrophobicContact CE3-CG 3.6Å; W794-R811 HydrophobicContact CZ3-CG 4.11Å; W794-R811 WeakPolarHBondContact CZ3-O 3.31Å; S795-R811 WeakPolarHBondContact OG-CA 3.21Å; W797-R811 HydrophobicContact CD2-CB 4.07Å; W797-R811 HydrophobicContact CD2-CG 3.97Å; W797-R811 VanDerWaalsContact CE2-CD 3.42Å; W797-R811 HydrophobicContact CE3-CB 3.89Å; W797-R811 HydrophobicContact CE3-CG 3.79Å; W797-R811 HydrophobicContact CH2-CG 3.72Å; W797-R811 VanDerWaalsContact CZ2-CD 3.45Å; W797-R811 HydrophobicContact CZ2-CG 3.91Å; W797-R811 VanDerWaalsContact CZ2-NE 3.3Å; W797-R811 HydrophobicContact CZ3-CB 4.22Å; W797-R811 HydrophobicContact CZ3-CG 3.67Å; R811-E825 CarbonylContact O-C 3.59Å; R811-E825 WeakPolarHBondContact O-CA 3.21Å; R811-Q826 HydrophobicContact CG-CB 4Å; R811-Q826 PolarHBondContact N-O 3.02Å; R811-Q826 PolarHBondContact O-N 2.96Å
812	S	87.4	Confident	75.5	Confident	52 Å²	52	66.6 Å²	66.6	36%	0.364	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	158.1	-178.5	58.3	0	0	0	0	111.3	W794 S795 Q824	W794-S812 CarbonylContact C-O 3.56Å; S795-S812 WeakPolarHBondContact CB-O 3.44Å; S795-S812 PolarHBondContact N-O 3.46Å; S795-S812 PolarHBondContact OG-N 2.83Å; S795-S812 PolarHBondContact OG-O 2.78Å; S812-Q824 CarbonylContact C-O 3.48Å; S812-Q824 VanDerWaalsContact CA-O 3.3Å; S812-Q824 WeakPolarHBondContact CA-O 3.45Å
813	R	88	Confident	75.8	Confident	42 Å²	42	71.7 Å²	71.7	16%	0.158	41%	0.409	C	S	.	.			trans	-140.3	151.5	170.8	55.2	178	180	172.8	3.7	109	W791 W794 D823 Q824	W791-R813 HydrophobicContact CD2-CG 4.1Å; W791-R813 VanDerWaalsContact CD2-CZ 3.5Å; W791-R813 HydrophobicContact CE3-CB 4.24Å; W791-R813 HydrophobicContact CE3-CG 3.5Å; W791-R813 VanDerWaalsContact CG-NH1 3.32Å; W791-R813 HydrophobicContact CZ3-CG 3.92Å; W794-R813 HydrophobicContact CD2-CB 4.1Å; W794-R813 HydrophobicContact CD2-CG 3.98Å; W794-R813 VanDerWaalsContact CE2-CD 3.47Å; W794-R813 HydrophobicContact CE3-CB 3.88Å; W794-R813 HydrophobicContact CE3-CG 3.71Å; W794-R813 HydrophobicContact CH2-CG 3.8Å; W794-R813 VanDerWaalsContact CZ2-CD 3.49Å; W794-R813 HydrophobicContact CZ2-CG 4.07Å; W794-R813 VanDerWaalsContact CZ2-CZ 3.49Å; W794-R813 HydrophobicContact CZ3-CB 4.26Å; W794-R813 HydrophobicContact CZ3-CG 3.62Å; R813-D823 VanDerWaalsContact CZ-O 3.26Å; R813-D823 PolarHBondContact NE-O 2.68Å; R813-D823 PolarHBondContact NH2-O 3.5Å; R813-Q824 PolarHBondContact N-O 2.03Å; R813-Q824 WeakPolarHBondContact O-CG 3.04Å
814	L	84.6	Confident	76	Confident	115 Å²	115	72.1 Å²	72.1	60%	0.602	40%	0.403	S	S	*	.			trans	-99.2	147.9	175.6	-62.3	169.5	0	0	0	110.8	T792	T792-L814 HydrophobicContact CG2-CB 4.17Å; T792-L814 PolarHBondContact N-O 2.81Å; T792-L814 WeakPolarHBondContact OG1-CA 3.14Å; T792-L814 PolarHBondContact OG1-N 3.32Å; T792-L814 PolarHBondContact OG1-O 2.02Å
815	C	79	Confident	76.5	Confident	46 Å²	46	76.7 Å²	76.7	31%	0.311	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	116.4	173.8	176.2	0	0	0	0	109.7	W791 G817 C820	W791-C815 HydrophobicContact CE3-CB 4.07Å; W791-C815 HydrophobicContact CH2-CB 4.2Å; W791-C815 HydrophobicContact CZ3-CB 3.77Å; C815-G817 PolarHBondContact O-N 3.46Å; C815-G817 PolarHBondContact SG-O 3.43Å; C815-G817 VanDerWaalsContact SG-O 3.34Å; C815-C820 WeakPolarHBondContact CA-SG 3.04Å; C815-C820 HydrophobicContact CB-CB 3.74Å; C815-C820 WeakPolarHBondContact CB-SG 3.48Å; C815-C820 WeakPolarHBondContact SG-CB 2.98Å; C815-C820 PolarHBondContact SG-N 2.83Å; C815-C820 CovalentContact SG-SG 2.02Å; C815-C820 PolarHBondContact SG-SG 2.93Å
816	D	78.1	Confident	77.2	Confident	119 Å²	119	79.1 Å²	79.1	64%	0.636	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	79.7	172.3	-170.4	16.9	0	0	0	109	G789 H790	G789-D816 CarbonylContact C-O 3.43Å; G789-D816 VanDerWaalsContact CA-O 3.23Å; G789-D816 WeakPolarHBondContact CA-O 3.45Å; H790-D816 PolarHBondContact N-O 3.32Å; H790-D816 WeakPolarHBondContact O-CB 3.38Å; H790-D816 PolarHBondContact O-N 2.81Å
817	G	66.7	Low	77.6	Confident	44 Å²	44	79.1 Å²	79.1	45%	0.454	43%	0.427	S	S	.	.	S	Bend	trans	151.6	174.4	-178	0	0	0	0	0	112.4	C815 R819	C815-G817 PolarHBondContact O-N 3.46Å; C815-G817 PolarHBondContact SG-O 3.43Å; C815-G817 VanDerWaalsContact SG-O 3.34Å; G817-R819 VanDerWaalsContact C-N 3.33Å; G817-R819 PolarHBondContact O-N 2.79Å
818	S	61.2	Low	77.3	Confident	102 Å²	102	84 Å²	84	71%	0.713	45%	0.448	S	S	*	.	S	Bend	trans	-72.6	-24.7	-176.4	59.7	0	0	0	0	113.5
819	R	64.9	Low	77	Confident	128 Å²	128	88.2 Å²	88.2	48%	0.483	47%	0.467	S	S	.	.			trans	-154.1	122.1	-178.3	-61.5	-176.3	-176.3	177.5	0.4	111.6	T756 C757 G789 G817	T756-R819 VanDerWaalsContact O-CD 3.28Å; T756-R819 WeakPolarHBondContact O-CD 3.41Å; T756-R819 PolarHBondContact O-NH1 3.13Å; T756-R819 VanDerWaalsContact O-NH1 3.15Å; C757-R819 HydrophobicContact CB-CB 4.26Å; G789-R819 PolarHBondContact N-O 3.45Å; G817-R819 VanDerWaalsContact C-N 3.33Å; G817-R819 PolarHBondContact O-N 2.79Å
820	C	69.6	Low	76.4	Confident	21 Å²	21	85.1 Å²	85.1	14%	0.142	46%	0.458	C	S	.	.			trans	-120.3	133.6	173.8	-59.8	0	0	0	0	110.6	G789 W791 C815	G789-C820 PolarHBondContact O-SG 3.49Å; G789-C820 VanDerWaalsContact O-SG 3.4Å; W791-C820 HydrophobicContact CD2-CB 3.74Å; W791-C820 HydrophobicContact CE3-CB 4.27Å; W791-C820 HydrophobicContact CG-CB 4.24Å; W791-C820 HydrophobicContact CH2-CB 4.02Å; W791-C820 HydrophobicContact CZ2-CB 3.43Å; W791-C820 VanDerWaalsContact CZ2-CB 3.43Å; W791-C820 WeakPolarHBondContact CZ2-O 3.31Å; W791-C820 HydrophobicContact CZ3-CB 4.4Å; C815-C820 WeakPolarHBondContact CA-SG 3.04Å; C815-C820 HydrophobicContact CB-CB 3.74Å; C815-C820 WeakPolarHBondContact CB-SG 3.48Å; C815-C820 WeakPolarHBondContact SG-CB 2.98Å; C815-C820 PolarHBondContact SG-N 2.83Å; C815-C820 CovalentContact SG-SG 2.02Å; C815-C820 PolarHBondContact SG-SG 2.93Å
821	P	62.9	Low	75.9	Confident	81 Å²	81	85.2 Å²	85.2	53%	0.526	46%	0.464	S	S	.	.	S	Bend	trans	-76.7	129.4	178.6	26.2	-30.2	0	0	0	112.6	W791	W791-P821 PolarHBondContact NE1-O 3.32Å
822	G	65.4	Low	75.1	Confident	54 Å²	54	86.9 Å²	86.9	56%	0.557	47%	0.474	S	S	*	.	S	Bend	trans	112.3	-179.6	177.7	0	0	0	0	0	114	W791	W791-G822 WeakPolarHBondContact CZ2-O 3.43Å
823	D	73.6	Confident	74.3	Confident	120 Å²	120	93.7 Å²	93.7	64%	0.642	49%	0.492	S	S	*	.			trans	-81	142.4	-173.8	-60.7	-36.5	0	0	0	112.7	W794 R813 E825	W794-D823 WeakPolarHBondContact CH2-O 3.18Å; R813-D823 VanDerWaalsContact CZ-O 3.26Å; R813-D823 PolarHBondContact NE-O 2.68Å; R813-D823 PolarHBondContact NH2-O 3.5Å; D823-E825 WeakPolarHBondContact CB-O 3.41Å
824	Q	81.8	Confident	72.6	Confident	115 Å²	115	96.2 Å²	96.2	54%	0.537	52%	0.522	S	S	.	.	S	Bend	trans	-76.1	-27.1	173.2	-167.9	-178.5	-14.8	0	0	112.2	W791 S812 R813	W791-Q824 HydrophobicContact CH2-CB 4.17Å; W791-Q824 HydrophobicContact CZ3-CB 4.26Å; W791-Q824 HydrophobicContact CZ3-CG 4.25Å; S812-Q824 CarbonylContact C-O 3.48Å; S812-Q824 VanDerWaalsContact CA-O 3.3Å; S812-Q824 WeakPolarHBondContact CA-O 3.45Å; R813-Q824 PolarHBondContact N-O 2.03Å; R813-Q824 WeakPolarHBondContact O-CG 3.04Å
825	E	83.6	Confident	71	Confident	126 Å²	126	91.8 Å²	91.8	59%	0.589	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.5	179	-70.5	-167.9	148.7	0	0	110.9	R811 D823	R811-E825 CarbonylContact O-C 3.59Å; R811-E825 WeakPolarHBondContact O-CA 3.21Å; D823-E825 WeakPolarHBondContact CB-O 3.41Å
826	Q	81.6	Confident	70	Confident	73 Å²	73	96.5 Å²	96.5	34%	0.341	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.1	174.4	-164.1	-179.3	6	0	0	110.5	W794 W797 R810 R811	W794-Q826 HydrophobicContact CH2-CB 3.72Å; W794-Q826 HydrophobicContact CZ2-CB 4.31Å; W794-Q826 HydrophobicContact CZ3-CB 3.88Å; W797-Q826 HydrophobicContact CH2-CB 4.18Å; W797-Q826 HydrophobicContact CH2-CG 4Å; W797-Q826 WeakPolarHBondContact CZ3-O 3.46Å; R810-Q826 CarbonylContact C-O 3.56Å; R810-Q826 WeakPolarHBondContact CA-O 3.35Å; R811-Q826 HydrophobicContact CG-CB 4Å; R811-Q826 PolarHBondContact N-O 3.02Å; R811-Q826 PolarHBondContact O-N 2.96Å
827	T	77.1	Confident	68.7	Low	88 Å²	88	97.6 Å²	97.6	54%	0.54	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	134.8	-177.5	-54.2	0	0	0	0	109.7	V808 R810	V808-T827 HydrophobicContact CB-CG2 4.49Å; V808-T827 HydrophobicContact CG1-CG2 3.02Å; R810-T827 HydrophobicContact CG-CG2 4.5Å
828	F	73.1	Confident	68.3	Low	105 Å²	105	100.4 Å²	100.4	46%	0.461	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	137.6	-179.6	-168.8	-88.2	0	0	0	111.1	W797 V808 R809	W797-F828 HydrophobicContact CE3-CB 4.4Å; W797-F828 HydrophobicContact CH2-CB 3.51Å; W797-F828 HydrophobicContact CH2-CG 4.47Å; W797-F828 HydrophobicContact CZ2-CB 4.09Å; W797-F828 HydrophobicContact CZ3-CB 3.68Å; V808-F828 CarbonylContact C-O 3.5Å; V808-F828 WeakPolarHBondContact CA-O 3.48Å; R809-F828 HydrophobicContact CG-CB 3.93Å; R809-F828 HydrophobicContact CG-CD1 4.41Å; R809-F828 WeakPolarHBondContact CG-O 3.44Å; R809-F828 PolarHBondContact N-O 3.03Å; R809-F828 VanDerWaalsContact NE-CD1 3.33Å; R809-F828 PolarHBondContact O-N 3.33Å
829	M	71.6	Confident	68.2	Low	131 Å²	131	96.8 Å²	96.8	65%	0.645	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.1	178.1	-68.7	-169.1	-81	0	0	111.2	V806 G807	V806-M829 HydrophobicContact CG1-CB 4.5Å; V806-M829 HydrophobicContact CG1-SD 4.36Å; G807-M829 WeakPolarHBondContact O-CA 3.43Å
830	C	75.9	Confident	68.4	Low	19 Å²	19	96.9 Å²	96.9	13%	0.128	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	146.9	175.2	41.4	0	0	0	0	109.5	C800 V806 G807 V808	C800-C830 WeakPolarHBondContact CA-SG 3.3Å; C800-C830 HydrophobicContact CB-CB 3.91Å; C800-C830 WeakPolarHBondContact CB-SG 3.44Å; C800-C830 WeakPolarHBondContact SG-CB 3.49Å; C800-C830 CovalentContact SG-SG 2.02Å; C800-C830 PolarHBondContact SG-SG 3.4Å; V806-C830 CarbonylContact C-O 3.49Å; V806-C830 WeakPolarHBondContact CA-O 3Å; G807-C830 PolarHBondContact N-O 3.05Å; G807-C830 PolarHBondContact O-N 2.77Å; G807-C830 PolarHBondContact O-SG 3.06Å; V808-C830 PolarHBondContact N-SG 3.13Å; V808-C830 VanDerWaalsContact N-SG 3.37Å
831	H	75	Confident	68.8	Low	146 Å²	146	99 Å²	99	68%	0.676	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.2	-179.6	-72.4	-129.9	0	0	0	108	G805	G805-H831 CarbonylContact O-C 3.46Å; G805-H831 WeakPolarHBondContact O-CA 3.4Å
832	E	75.3	Confident	69.7	Low	97 Å²	97	100.8 Å²	100.8	45%	0.453	53%	0.526	S	S	.	.			trans	-96	175.3	170.4	-70.4	-59.9	159.9	0	0	110.8	C800 A802 G805	C800-E832 HydrophobicContact CB-CG 4.47Å; A802-E832 VanDerWaalsContact O-CG 3.26Å; A802-E832 WeakPolarHBondContact O-CG 3.47Å; G805-E832 PolarHBondContact O-N 3.21Å
833	R	71.2	Confident	70.5	Confident	196 Å²	196	103.6 Å²	103.6	74%	0.74	54%	0.538	S	S	*	.	S	Bend	trans	-47.1	148.4	175.2	61.8	-179	179.9	149.8	-0.2	112.7	C804 G805 C835	C804-R833 CarbonylContact C-O 3.6Å; C804-R833 WeakPolarHBondContact CA-O 3.04Å; C804-R833 HydrophobicContact CB-CG 4.17Å; C804-R833 WeakPolarHBondContact CB-O 3.33Å; G805-R833 PolarHBondContact N-O 2.87Å; R833-C835 PolarHBondContact O-N 2.79Å
834	A	53	Low	71.1	Confident	94 Å²	94	101 Å²	101	78%	0.777	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-56.4	135.5	178.1	0	0	0	0	0	111.4
835	C	50.5	Low	71	Confident	22 Å²	22	98 Å²	98	15%	0.149	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-78.4	138.7	176.4	-59.3	0	0	0	0	111.1	C804 R833 T868	C804-C835 HydrophobicContact CB-CB 3.97Å; C804-C835 WeakPolarHBondContact CB-SG 3.37Å; C804-C835 PolarHBondContact O-SG 3.08Å; C804-C835 VanDerWaalsContact O-SG 3.39Å; C804-C835 WeakPolarHBondContact SG-CB 3.37Å; C804-C835 CovalentContact SG-SG 2.04Å; C804-C835 PolarHBondContact SG-SG 3.04Å; R833-C835 PolarHBondContact O-N 2.79Å; C835-T868 HydrophobicContact CB-CG2 4.4Å; C835-T868 VanDerWaalsContact O-CG2 3.3Å; C835-T868 WeakPolarHBondContact O-CG2 3.46Å
836	D	58.5	Low	71	Confident	146 Å²	146	96.3 Å²	96.3	78%	0.781	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-68.6	154.7	170.9	-84.9	-39.1	0	0	0	112.7	S838	D836-S838 PolarHBondContact O-N 3.34Å; D836-S838 VanDerWaalsContact O-N 3.13Å
837	L	50.4	Low	71.3	Confident	142 Å²	142	96 Å²	96	74%	0.743	51%	0.514	S	S	*	.	S	Bend	trans	-78.6	11.9	-149.2	-71.1	164	0	0	0	118.4	T868	L837-T868 HydrophobicContact CD2-CG2 4.09Å; L837-T868 WeakPolarHBondContact CD2-OG1 3.13Å
838	S	57.8	Low	71.3	Confident	103 Å²	103	93.9 Å²	93.9	72%	0.72	50%	0.503	S	S	*	.			trans	-119.4	111.7	177.1	61.6	0	0	0	0	111.8	D836	D836-S838 PolarHBondContact O-N 3.34Å; D836-S838 VanDerWaalsContact O-N 3.13Å
839	G	58.7	Low	71.7	Confident	25 Å²	25	94.4 Å²	94.4	26%	0.258	52%	0.517	S	S	.	.			trans	-96.2	119.9	-171.5	0	0	0	0	0	116	K866 K869 C870	G839-K866 VanDerWaalsContact CA-O 3.23Å; G839-K866 WeakPolarHBondContact CA-O 3.44Å; G839-K869 VanDerWaalsContact CA-O 3.25Å; G839-K869 WeakPolarHBondContact CA-O 3.36Å; G839-K869 PolarHBondContact N-O 3.04Å; G839-C870 VanDerWaalsContact CA-SG 3.57Å
840	E	69.8	Low	72.3	Confident	130 Å²	130	89.5 Å²	89.5	61%	0.607	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	147.6	163.9	-71.6	-178.6	148.5	0	0	111.4	K866 C870	E840-K866 HydrophobicContact CB-CB 4.38Å; E840-K866 PolarHBondContact N-O 2.59Å; E840-K866 WeakPolarHBondContact O-CA 3.5Å; E840-K866 WeakPolarHBondContact O-CB 3.43Å; E840-K866 PolarHBondContact O-N 3.26Å; E840-K866 IonicContact OE2-NZ 3.68Å; E840-C870 VanDerWaalsContact C-SG 3.54Å; E840-C870 PolarHBondContact O-SG 2.86Å
841	W	79	Confident	72.2	Confident	67 Å²	67	93 Å²	93	25%	0.254	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	137.2	174	-73.3	108.6	0	0	0	111.9	R863 C865 C870 N871 G872 A874	W841-R863 HydrophobicContact CD2-CG 4.17Å; W841-R863 HydrophobicContact CE3-CB 4.28Å; W841-R863 HydrophobicContact CE3-CG 3.54Å; W841-R863 HydrophobicContact CZ3-CG 3.92Å; W841-C865 HydrophobicContact CE3-CB 4.17Å; W841-C865 HydrophobicContact CH2-CB 4.3Å; W841-C865 HydrophobicContact CZ3-CB 3.92Å; W841-C870 HydrophobicContact CD2-CB 3.77Å; W841-C870 HydrophobicContact CE3-CB 4.32Å; W841-C870 HydrophobicContact CG-CB 4.23Å; W841-C870 HydrophobicContact CH2-CB 4.04Å; W841-C870 HydrophobicContact CZ2-CB 3.43Å; W841-C870 VanDerWaalsContact CZ2-CB 3.43Å; W841-C870 HydrophobicContact CZ3-CB 4.46Å; W841-N871 PolarHBondContact NE1-O 2.86Å; W841-G872 WeakPolarHBondContact CZ2-O 3.39Å; W841-A874 HydrophobicContact CH2-CB 3.82Å; W841-A874 HydrophobicContact CZ3-CB 3.86Å
842	Y	80	Confident	71.8	Confident	117 Å²	117	88.1 Å²	88.1	46%	0.459	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-70.6	165	160.2	-76.3	-76.1	0	0	0	111.7	R863 I864 K866	Y842-R863 WeakPolarHBondContact O-CB 3.35Å; Y842-I864 HydrophobicContact CD2-CB 4Å; Y842-I864 HydrophobicContact CD2-CG2 4.23Å; Y842-I864 WeakPolarHBondContact CD2-O 3.44Å; Y842-I864 PolarHBondContact N-O 3.02Å; Y842-K866 HydrophobicContact CD2-CB 4.17Å; Y842-K866 HydrophobicContact CE2-CB 3.69Å; Y842-K866 HydrophobicContact CE2-CG 4.04Å
843	S	82.3	Confident	71.7	Confident	113 Å²	113	89.8 Å²	89.8	79%	0.79	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-56	147.4	171	-55.4	0	0	0	0	111.7
844	W	86.2	Confident	71.8	Confident	67 Å²	67	81.5 Å²	81.5	25%	0.254	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-62.3	143.7	172.6	-71.7	101.5	0	0	0	111.6	R861 R863 I873 M876	W844-R861 HydrophobicContact CD2-CG 4.28Å; W844-R861 HydrophobicContact CE3-CB 4.38Å; W844-R861 HydrophobicContact CE3-CG 3.66Å; W844-R861 HydrophobicContact CZ3-CG 4.16Å; W844-R863 HydrophobicContact CD2-CB 4.05Å; W844-R863 HydrophobicContact CD2-CG 3.94Å; W844-R863 HydrophobicContact CE3-CB 3.91Å; W844-R863 HydrophobicContact CE3-CG 3.78Å; W844-R863 HydrophobicContact CG-CB 4.46Å; W844-R863 HydrophobicContact CH2-CG 3.82Å; W844-R863 HydrophobicContact CZ2-CG 4Å; W844-R863 HydrophobicContact CZ3-CB 4.31Å; W844-R863 HydrophobicContact CZ3-CG 3.72Å; W844-I873 HydrophobicContact CH2-CG1 4.28Å; W844-I873 WeakPolarHBondContact CH2-O 3.34Å; W844-M876 HydrophobicContact CE3-CB 4.41Å; W844-M876 HydrophobicContact CH2-CB 3.56Å; W844-M876 HydrophobicContact CZ2-CB 4.26Å; W844-M876 HydrophobicContact CZ2-SD 4.37Å; W844-M876 HydrophobicContact CZ3-CB 3.63Å
845	S	80.5	Confident	72.7	Confident	52 Å²	52	77.9 Å²	77.9	36%	0.364	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-63.3	163.9	166.6	75.8	0	0	0	0	111.1	R861 S862	S845-R861 WeakPolarHBondContact OG-CA 3.44Å; S845-S862 WeakPolarHBondContact CB-O 3.24Å; S845-S862 PolarHBondContact N-O 3.36Å; S845-S862 PolarHBondContact OG-N 2.73Å; S845-S862 PolarHBondContact OG-O 2.92Å
846	A	84.4	Confident	73.9	Confident	89 Å²	89	81.9 Å²	81.9	74%	0.736	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-56.8	153.4	161.1	0	0	0	0	0	110.4
847	W	86	Confident	74.7	Confident	67 Å²	67	75.4 Å²	75.4	25%	0.254	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-67.9	141.4	172.5	-73.4	108.4	0	0	0	111.2	R859 Q860 R861 M876 E878	W847-R859 HydrophobicContact CB-CG 4.46Å; W847-R859 HydrophobicContact CD2-CG 4.08Å; W847-R859 HydrophobicContact CE3-CB 4.12Å; W847-R859 HydrophobicContact CE3-CG 3.64Å; W847-R859 HydrophobicContact CG-CG 4.48Å; W847-R859 HydrophobicContact CZ3-CG 4.15Å; W847-R859 VanDerWaalsContact CZ3-O 3.23Å; W847-R859 WeakPolarHBondContact CZ3-O 3.43Å; W847-Q860 VanDerWaalsContact CE3-C 3.44Å; W847-R861 HydrophobicContact CD2-CB 4.02Å; W847-R861 HydrophobicContact CD2-CG 3.97Å; W847-R861 HydrophobicContact CE3-CB 3.84Å; W847-R861 HydrophobicContact CE3-CG 3.81Å; W847-R861 HydrophobicContact CH2-CG 3.87Å; W847-R861 HydrophobicContact CZ2-CG 4.05Å; W847-R861 HydrophobicContact CZ3-CB 4.23Å; W847-R861 HydrophobicContact CZ3-CG 3.75Å; W847-M876 HydrophobicContact CH2-CB 4.47Å; W847-M876 HydrophobicContact CH2-CE 3.35Å; W847-M876 HydrophobicContact CH2-CG 4.12Å; W847-M876 HydrophobicContact CZ2-CE 3.26Å; W847-M876 WeakPolarHBondContact CZ3-O 3.05Å; W847-E878 HydrophobicContact CE3-CB 4.47Å; W847-E878 HydrophobicContact CH2-CB 3.31Å; W847-E878 HydrophobicContact CH2-CG 4.41Å; W847-E878 HydrophobicContact CZ2-CB 3.85Å; W847-E878 WeakPolarHBondContact CZ2-OE2 3.37Å; W847-E878 HydrophobicContact CZ3-CB 3.67Å
848	S	77.9	Confident	76.2	Confident	44 Å²	44	72.2 Å²	72.2	31%	0.308	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-63	160.1	168.1	74.9	0	0	0	0	110.9	R859 Q860	S848-R859 WeakPolarHBondContact O-CB 3.3Å; S848-R859 WeakPolarHBondContact OG-CA 3.36Å; S848-Q860 PolarHBondContact N-O 2.82Å; S848-Q860 PolarHBondContact OG-N 3.08Å
849	P	81.8	Confident	77.7	Confident	116 Å²	116	71.2 Å²	71.2	75%	0.753	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-53.8	155.7	161.6	-22	33.3	0	0	0	110.9	T851	P849-T851 PolarHBondContact O-N 2.77Å
850	C	83.5	Confident	79	Confident	28 Å²	28	74.5 Å²	74.5	19%	0.189	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-62	134.2	174.3	-163.3	0	0	0	0	109.9	V852 C880	C850-V852 PolarHBondContact O-N 2.9Å; C850-C880 WeakPolarHBondContact CA-SG 3.37Å; C850-C880 HydrophobicContact CB-CB 3.91Å; C850-C880 WeakPolarHBondContact CB-SG 3.39Å; C850-C880 WeakPolarHBondContact SG-CB 2.98Å; C850-C880 CovalentContact SG-SG 2.02Å; C850-C880 PolarHBondContact SG-SG 2.93Å
851	T	74.1	Confident	80	Confident	93 Å²	93	71.2 Å²	71.2	57%	0.571	39%	0.394	S	S	*	.	S	Bend	trans	-63.6	-8.5	-179.1	48.4	0	0	0	0	114.7	P849 E858	P849-T851 PolarHBondContact O-N 2.77Å; T851-E858 WeakPolarHBondContact CB-O 3.07Å; T851-E858 WeakPolarHBondContact CG2-O 3.46Å; T851-E858 PolarHBondContact N-O 2.85Å; T851-E858 PolarHBondContact OG1-N 2.03Å; T851-E858 PolarHBondContact OG1-O 2.9Å; T851-E858 VanDerWaalsContact OG1-O 3.11Å
852	V	66.7	Low	80.3	Confident	43 Å²	43	70.6 Å²	70.6	26%	0.261	40%	0.4	S	S	.	.			trans	-129.7	153.5	178.3	-53.2	0	0	0	0	111	C850 C854 G857 Q882	C850-V852 PolarHBondContact O-N 2.9Å; V852-C854 WeakPolarHBondContact CB-O 2.99Å; V852-C854 WeakPolarHBondContact CG2-O 3.09Å; V852-G857 VanDerWaalsContact CG2-CA 3.44Å; V852-G857 VanDerWaalsContact CG2-N 3.29Å; V852-Q882 HydrophobicContact CG2-CG 4.18Å; V852-Q882 WeakPolarHBondContact O-CG 3.37Å
853	T	73.2	Confident	80.5	Confident	131 Å²	131	67.4 Å²	67.4	80%	0.804	39%	0.387	S	S	*	.	S	Bend	trans	-92.6	-13.8	172.5	54.7	0	0	0	0	113.2
854	C	74.3	Confident	80.2	Confident	23 Å²	23	65.5 Å²	65.5	16%	0.155	37%	0.367	C	S	.	.	S	Bend	trans	-145.5	156	176	67	0	0	0	0	109.2	V852 A883 C885 L913	V852-C854 WeakPolarHBondContact CB-O 2.99Å; V852-C854 WeakPolarHBondContact CG2-O 3.09Å; C854-A883 CarbonylContact C-O 3.57Å; C854-A883 WeakPolarHBondContact CA-O 2.96Å; C854-A883 VanDerWaalsContact CB-O 3.3Å; C854-A883 WeakPolarHBondContact CB-O 3.42Å; C854-C885 HydrophobicContact CB-CB 3.93Å; C854-C885 WeakPolarHBondContact CB-SG 3.24Å; C854-C885 PolarHBondContact O-SG 2.94Å; C854-C885 WeakPolarHBondContact SG-CA 3.33Å; C854-C885 WeakPolarHBondContact SG-CB 3.36Å; C854-C885 CovalentContact SG-SG 2.05Å; C854-C885 PolarHBondContact SG-SG 3.24Å; C854-L913 HydrophobicContact CB-CB 4.25Å
855	G	70.2	Confident	79.5	Confident	18 Å²	18	63.9 Å²	63.9	19%	0.186	37%	0.366	C	S	.	.	S	Bend	trans	68.8	-155.4	179.1	0	0	0	0	0	113.5	Q882 A883 C885	G855-Q882 WeakPolarHBondContact O-CB 3.31Å; G855-Q882 PolarHBondContact O-N 2.99Å; G855-A883 PolarHBondContact N-O 2.95Å; G855-C885 PolarHBondContact N-SG 3.15Å; G855-C885 VanDerWaalsContact N-SG 3.44Å
856	M	75.8	Confident	79.1	Confident	106 Å²	106	66.6 Å²	66.6	52%	0.522	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.9	-178	-64.1	-65.9	-72.6	0	0	110.3	Q879 K881	M856-Q879 HydrophobicContact CE-CB 4.05Å; M856-K881 HydrophobicContact SD-CB 3.71Å; M856-K881 HydrophobicContact SD-CD 4.29Å; M856-K881 HydrophobicContact SD-CG 3.79Å
857	G	76.2	Confident	78.1	Confident	9 Å²	9	62.9 Å²	62.9	9%	0.093	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	-169.4	169.2	0	0	0	0	0	111.6	V852 Q879 C880	V852-G857 VanDerWaalsContact CG2-CA 3.44Å; V852-G857 VanDerWaalsContact CG2-N 3.29Å; G857-Q879 WeakPolarHBondContact O-CA 3.4Å; G857-C880 PolarHBondContact N-O 3.42Å; G857-C880 PolarHBondContact O-N 3.41Å
858	E	82.6	Confident	76.6	Confident	76 Å²	76	63.3 Å²	63.3	36%	0.355	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.5	-179.4	-169.2	178.2	178.2	0	0	107.7	T851 S877 E878 C880	T851-E858 WeakPolarHBondContact CB-O 3.07Å; T851-E858 WeakPolarHBondContact CG2-O 3.46Å; T851-E858 PolarHBondContact N-O 2.85Å; T851-E858 PolarHBondContact OG1-N 2.03Å; T851-E858 PolarHBondContact OG1-O 2.9Å; T851-E858 VanDerWaalsContact OG1-O 3.11Å; E858-S877 WeakPolarHBondContact OE1-CB 3.39Å; E858-S877 PolarHBondContact OE1-OG 3.27Å; E858-E878 CarbonylContact C-O 3.6Å; E858-E878 WeakPolarHBondContact CA-O 2.95Å; E858-C880 VanDerWaalsContact C-SG 3.58Å; E858-C880 PolarHBondContact N-SG 2.85Å; E858-C880 VanDerWaalsContact N-SG 3.41Å
859	R	88.6	Confident	75.8	Confident	82 Å²	82	69.4 Å²	69.4	31%	0.309	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.2	167	57.2	-178.5	-168.1	-170	-4.5	108.6	W847 S848 S877 E878	W847-R859 HydrophobicContact CB-CG 4.46Å; W847-R859 HydrophobicContact CD2-CG 4.08Å; W847-R859 HydrophobicContact CE3-CB 4.12Å; W847-R859 HydrophobicContact CE3-CG 3.64Å; W847-R859 HydrophobicContact CG-CG 4.48Å; W847-R859 HydrophobicContact CZ3-CG 4.15Å; W847-R859 VanDerWaalsContact CZ3-O 3.23Å; W847-R859 WeakPolarHBondContact CZ3-O 3.43Å; S848-R859 WeakPolarHBondContact O-CB 3.3Å; S848-R859 WeakPolarHBondContact OG-CA 3.36Å; R859-S877 WeakPolarHBondContact O-CA 3.25Å; R859-E878 HydrophobicContact CG-CB 4.18Å; R859-E878 IonicContact CZ-OE2 3.74Å; R859-E878 PolarHBondContact N-O 2.03Å; R859-E878 IonicContact NE-OE2 3.22Å; R859-E878 PolarHBondContact NE-OE2 3.09Å; R859-E878 VanDerWaalsContact NH2-CD 3.32Å; R859-E878 IonicContact NH2-OE1 3.11Å; R859-E878 PolarHBondContact NH2-OE1 2.96Å; R859-E878 IonicContact NH2-OE2 3.33Å; R859-E878 PolarHBondContact NH2-OE2 3.01Å; R859-E878 PolarHBondContact O-N 3.11Å
860	Q	86.4	Confident	75.2	Confident	93 Å²	93	65 Å²	65	44%	0.435	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.4	-178.4	-60.4	-165.9	-52.5	0	0	111.2	W847 S848 M876 S877	W847-Q860 VanDerWaalsContact CE3-C 3.44Å; S848-Q860 PolarHBondContact N-O 2.82Å; S848-Q860 PolarHBondContact OG-N 3.08Å; Q860-M876 CarbonylContact C-O 3.46Å; Q860-M876 WeakPolarHBondContact CA-O 3Å; Q860-S877 WeakPolarHBondContact CG-OG 3.43Å; Q860-S877 PolarHBondContact NE2-OG 2.85Å
861	R	90.4	Very high	74.9	Confident	62 Å²	62	71.2 Å²	71.2	23%	0.234	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152.9	166.1	65.1	176.4	-166.9	-179.7	-1.5	109.5	W844 S845 W847 T875 M876	W844-R861 HydrophobicContact CD2-CG 4.28Å; W844-R861 HydrophobicContact CE3-CB 4.38Å; W844-R861 HydrophobicContact CE3-CG 3.66Å; W844-R861 HydrophobicContact CZ3-CG 4.16Å; S845-R861 WeakPolarHBondContact OG-CA 3.44Å; W847-R861 HydrophobicContact CD2-CB 4.02Å; W847-R861 HydrophobicContact CD2-CG 3.97Å; W847-R861 HydrophobicContact CE3-CB 3.84Å; W847-R861 HydrophobicContact CE3-CG 3.81Å; W847-R861 HydrophobicContact CH2-CG 3.87Å; W847-R861 HydrophobicContact CZ2-CG 4.05Å; W847-R861 HydrophobicContact CZ3-CB 4.23Å; W847-R861 HydrophobicContact CZ3-CG 3.75Å; R861-T875 WeakPolarHBondContact O-CA 3.43Å; R861-M876 HydrophobicContact CG-CB 4.03Å; R861-M876 VanDerWaalsContact CZ-CE 3.41Å; R861-M876 PolarHBondContact N-O 2.93Å; R861-M876 VanDerWaalsContact NE-CE 3.32Å; R861-M876 PolarHBondContact NH2-SD 2.82Å; R861-M876 VanDerWaalsContact NH2-SD 3.38Å; R861-M876 PolarHBondContact O-N 2.82Å
862	S	84.6	Confident	74.9	Confident	53 Å²	53	69.5 Å²	69.5	37%	0.371	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	157.2	179.3	57.5	0	0	0	0	112.3	S845 A874	S845-S862 WeakPolarHBondContact CB-O 3.24Å; S845-S862 PolarHBondContact N-O 3.36Å; S845-S862 PolarHBondContact OG-N 2.73Å; S845-S862 PolarHBondContact OG-O 2.92Å; S862-A874 CarbonylContact C-O 3.52Å; S862-A874 WeakPolarHBondContact CA-O 3.44Å; S862-A874 WeakPolarHBondContact CB-O 3.09Å
863	R	85.6	Confident	75.5	Confident	51 Å²	51	72.6 Å²	72.6	19%	0.192	39%	0.39	C	S	.	.			trans	-135	152.7	173.3	57.5	174.8	179.4	-179.2	1.3	109.4	W841 Y842 W844 I873 A874	W841-R863 HydrophobicContact CD2-CG 4.17Å; W841-R863 HydrophobicContact CE3-CB 4.28Å; W841-R863 HydrophobicContact CE3-CG 3.54Å; W841-R863 HydrophobicContact CZ3-CG 3.92Å; Y842-R863 WeakPolarHBondContact O-CB 3.35Å; W844-R863 HydrophobicContact CD2-CB 4.05Å; W844-R863 HydrophobicContact CD2-CG 3.94Å; W844-R863 HydrophobicContact CE3-CB 3.91Å; W844-R863 HydrophobicContact CE3-CG 3.78Å; W844-R863 HydrophobicContact CG-CB 4.46Å; W844-R863 HydrophobicContact CH2-CG 3.82Å; W844-R863 HydrophobicContact CZ2-CG 4Å; W844-R863 HydrophobicContact CZ3-CB 4.31Å; W844-R863 HydrophobicContact CZ3-CG 3.72Å; R863-I873 PolarHBondContact NE-O 3.18Å; R863-I873 PolarHBondContact NH2-O 3.46Å; R863-A874 PolarHBondContact N-O 3.37Å
864	I	74.3	Confident	75.9	Confident	72 Å²	72	68.5 Å²	68.5	37%	0.369	37%	0.37	S	S	.	.			trans	-105.9	142.5	-175.2	-58.9	175.4	0	0	0	109.3	S801 Y842	S801-I864 VanDerWaalsContact O-CD1 3.26Å; S801-I864 WeakPolarHBondContact O-CD1 3.47Å; Y842-I864 HydrophobicContact CD2-CB 4Å; Y842-I864 HydrophobicContact CD2-CG2 4.23Å; Y842-I864 WeakPolarHBondContact CD2-O 3.44Å; Y842-I864 PolarHBondContact N-O 3.02Å
865	C	73.1	Confident	76.2	Confident	34 Å²	34	70.9 Å²	70.9	23%	0.23	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.9	173.8	178.3	0	0	0	0	110.5	W841 G867 C870	W841-C865 HydrophobicContact CE3-CB 4.17Å; W841-C865 HydrophobicContact CH2-CB 4.3Å; W841-C865 HydrophobicContact CZ3-CB 3.92Å; C865-G867 VanDerWaalsContact C-N 3.28Å; C865-G867 PolarHBondContact O-N 3.09Å; C865-G867 VanDerWaalsContact O-N 3.16Å; C865-G867 PolarHBondContact SG-O 2.83Å; C865-C870 WeakPolarHBondContact CA-SG 3.4Å; C865-C870 HydrophobicContact CB-CB 3.68Å; C865-C870 WeakPolarHBondContact CB-SG 3.47Å; C865-C870 WeakPolarHBondContact SG-CB 3.35Å; C865-C870 PolarHBondContact SG-N 2.79Å; C865-C870 VanDerWaalsContact SG-N 3.38Å; C865-C870 CovalentContact SG-SG 2Å; C865-C870 PolarHBondContact SG-SG 3.48Å
866	K	70.5	Confident	77	Confident	108 Å²	108	72.7 Å²	72.7	47%	0.47	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	65.5	173.1	-170.5	-170.9	170.5	-167.1	0	109.8	G839 E840 Y842	G839-K866 VanDerWaalsContact CA-O 3.23Å; G839-K866 WeakPolarHBondContact CA-O 3.44Å; E840-K866 HydrophobicContact CB-CB 4.38Å; E840-K866 PolarHBondContact N-O 2.59Å; E840-K866 WeakPolarHBondContact O-CA 3.5Å; E840-K866 WeakPolarHBondContact O-CB 3.43Å; E840-K866 PolarHBondContact O-N 3.26Å; E840-K866 IonicContact OE2-NZ 3.68Å; Y842-K866 HydrophobicContact CD2-CB 4.17Å; Y842-K866 HydrophobicContact CE2-CB 3.69Å; Y842-K866 HydrophobicContact CE2-CG 4.04Å
867	G	64.3	Low	77.3	Confident	11 Å²	11	70.2 Å²	70.2	11%	0.113	38%	0.381	C	S	.	.	S	Bend	trans	147.5	-170	179.2	0	0	0	0	0	112.2	C865	C865-G867 VanDerWaalsContact C-N 3.28Å; C865-G867 PolarHBondContact O-N 3.09Å; C865-G867 VanDerWaalsContact O-N 3.16Å; C865-G867 PolarHBondContact SG-O 2.83Å
868	T	55.2	Low	77.7	Confident	76 Å²	76	73.4 Å²	73.4	47%	0.466	39%	0.394	S	S	.	.	S	Bend	trans	-92	-14.8	-176.8	59.2	0	0	0	0	114.9	C835 L837	C835-T868 HydrophobicContact CB-CG2 4.4Å; C835-T868 VanDerWaalsContact O-CG2 3.3Å; C835-T868 WeakPolarHBondContact O-CG2 3.46Å; L837-T868 HydrophobicContact CD2-CG2 4.09Å; L837-T868 WeakPolarHBondContact CD2-OG1 3.13Å
869	K	61.5	Low	77.7	Confident	172 Å²	172	76.7 Å²	76.7	75%	0.748	41%	0.409	S	S	*	.			trans	-135.4	101.2	180	-89.6	-176.9	171.9	179.6	0	110.3	G839	G839-K869 VanDerWaalsContact CA-O 3.25Å; G839-K869 WeakPolarHBondContact CA-O 3.36Å; G839-K869 PolarHBondContact N-O 3.04Å
870	C	68.7	Low	77.4	Confident	24 Å²	24	73.6 Å²	73.6	16%	0.162	40%	0.4	C	S	.	.			trans	-115.7	131.8	164.2	-61.9	0	0	0	0	109.8	G839 E840 W841 C865	G839-C870 VanDerWaalsContact CA-SG 3.57Å; E840-C870 VanDerWaalsContact C-SG 3.54Å; E840-C870 PolarHBondContact O-SG 2.86Å; W841-C870 HydrophobicContact CD2-CB 3.77Å; W841-C870 HydrophobicContact CE3-CB 4.32Å; W841-C870 HydrophobicContact CG-CB 4.23Å; W841-C870 HydrophobicContact CH2-CB 4.04Å; W841-C870 HydrophobicContact CZ2-CB 3.43Å; W841-C870 VanDerWaalsContact CZ2-CB 3.43Å; W841-C870 HydrophobicContact CZ3-CB 4.46Å; C865-C870 WeakPolarHBondContact CA-SG 3.4Å; C865-C870 HydrophobicContact CB-CB 3.68Å; C865-C870 WeakPolarHBondContact CB-SG 3.47Å; C865-C870 WeakPolarHBondContact SG-CB 3.35Å; C865-C870 PolarHBondContact SG-N 2.79Å; C865-C870 VanDerWaalsContact SG-N 3.38Å; C865-C870 CovalentContact SG-SG 2Å; C865-C870 PolarHBondContact SG-SG 3.48Å
871	N	76.3	Confident	77	Confident	159 Å²	159	77.1 Å²	77.1	85%	0.85	41%	0.414	S	S	*	.			trans	-81.5	124	176.8	-71.6	-27.5	0	0	0	110.5	W841	W841-N871 PolarHBondContact NE1-O 2.86Å
872	G	74.5	Confident	76.4	Confident	56 Å²	56	78.1 Å²	78.1	58%	0.577	42%	0.421	S	S	*	.	S	Bend	trans	123.3	176.9	178	0	0	0	0	0	113.5	W841	W841-G872 WeakPolarHBondContact CZ2-O 3.39Å
873	I	80.3	Confident	75.9	Confident	108 Å²	108	78.3 Å²	78.3	55%	0.554	43%	0.426	S	S	*	.			trans	-83.1	140.2	-179.1	58.5	179.8	0	0	0	111.7	W844 R863 T875 M876	W844-I873 HydrophobicContact CH2-CG1 4.28Å; W844-I873 WeakPolarHBondContact CH2-O 3.34Å; R863-I873 PolarHBondContact NE-O 3.18Å; R863-I873 PolarHBondContact NH2-O 3.46Å; I873-T875 WeakPolarHBondContact CD1-O 3.21Å; I873-M876 HydrophobicContact CD1-CB 4.47Å
874	A	79.7	Confident	75.1	Confident	45 Å²	45	83.3 Å²	83.3	37%	0.372	45%	0.451	S	S	.	.	S	Bend	trans	-83.2	-19.4	175.8	0	0	0	0	0	113	W841 S862 R863	W841-A874 HydrophobicContact CH2-CB 3.82Å; W841-A874 HydrophobicContact CZ3-CB 3.86Å; S862-A874 CarbonylContact C-O 3.52Å; S862-A874 WeakPolarHBondContact CA-O 3.44Å; S862-A874 WeakPolarHBondContact CB-O 3.09Å; R863-A874 PolarHBondContact N-O 3.37Å
875	T	82.6	Confident	74.4	Confident	74 Å²	74	82.4 Å²	82.4	45%	0.454	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135	-178.2	-49	0	0	0	0	108.6	R861 I873	R861-T875 WeakPolarHBondContact O-CA 3.43Å; I873-T875 WeakPolarHBondContact CD1-O 3.21Å
876	M	85.4	Confident	74.5	Confident	55 Å²	55	81.9 Å²	81.9	27%	0.271	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.4	177.3	-169.3	172.8	109.7	0	0	109	W844 W847 Q860 R861 I873	W844-M876 HydrophobicContact CE3-CB 4.41Å; W844-M876 HydrophobicContact CH2-CB 3.56Å; W844-M876 HydrophobicContact CZ2-CB 4.26Å; W844-M876 HydrophobicContact CZ2-SD 4.37Å; W844-M876 HydrophobicContact CZ3-CB 3.63Å; W847-M876 HydrophobicContact CH2-CB 4.47Å; W847-M876 HydrophobicContact CH2-CE 3.35Å; W847-M876 HydrophobicContact CH2-CG 4.12Å; W847-M876 HydrophobicContact CZ2-CE 3.26Å; W847-M876 WeakPolarHBondContact CZ3-O 3.05Å; Q860-M876 CarbonylContact C-O 3.46Å; Q860-M876 WeakPolarHBondContact CA-O 3Å; R861-M876 HydrophobicContact CG-CB 4.03Å; R861-M876 VanDerWaalsContact CZ-CE 3.41Å; R861-M876 PolarHBondContact N-O 2.93Å; R861-M876 VanDerWaalsContact NE-CE 3.32Å; R861-M876 PolarHBondContact NH2-SD 2.82Å; R861-M876 VanDerWaalsContact NH2-SD 3.38Å; R861-M876 PolarHBondContact O-N 2.82Å; I873-M876 HydrophobicContact CD1-CB 4.47Å
877	S	82.3	Confident	74.3	Confident	55 Å²	55	78.4 Å²	78.4	39%	0.385	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.1	176.8	-80.6	0	0	0	0	110.4	E858 R859 Q860	E858-S877 WeakPolarHBondContact OE1-CB 3.39Å; E858-S877 PolarHBondContact OE1-OG 3.27Å; R859-S877 WeakPolarHBondContact O-CA 3.25Å; Q860-S877 WeakPolarHBondContact CG-OG 3.43Å; Q860-S877 PolarHBondContact NE2-OG 2.85Å
878	E	84.2	Confident	75	Confident	76 Å²	76	81 Å²	81	36%	0.355	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.8	175	-178.4	-175.3	-160.7	0	0	110.2	W847 E858 R859	W847-E878 HydrophobicContact CE3-CB 4.47Å; W847-E878 HydrophobicContact CH2-CB 3.31Å; W847-E878 HydrophobicContact CH2-CG 4.41Å; W847-E878 HydrophobicContact CZ2-CB 3.85Å; W847-E878 WeakPolarHBondContact CZ2-OE2 3.37Å; W847-E878 HydrophobicContact CZ3-CB 3.67Å; E858-E878 CarbonylContact C-O 3.6Å; E858-E878 WeakPolarHBondContact CA-O 2.95Å; R859-E878 HydrophobicContact CG-CB 4.18Å; R859-E878 IonicContact CZ-OE2 3.74Å; R859-E878 PolarHBondContact N-O 2.03Å; R859-E878 IonicContact NE-OE2 3.22Å; R859-E878 PolarHBondContact NE-OE2 3.09Å; R859-E878 VanDerWaalsContact NH2-CD 3.32Å; R859-E878 IonicContact NH2-OE1 3.11Å; R859-E878 PolarHBondContact NH2-OE1 2.96Å; R859-E878 IonicContact NH2-OE2 3.33Å; R859-E878 PolarHBondContact NH2-OE2 3.01Å; R859-E878 PolarHBondContact O-N 3.11Å
879	Q	82.9	Confident	76.2	Confident	144 Å²	144	78.5 Å²	78.5	67%	0.673	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	137	174.6	-68.1	-174.8	-3.1	0	0	110.7	M856 G857	M856-Q879 HydrophobicContact CE-CB 4.05Å; G857-Q879 WeakPolarHBondContact O-CA 3.4Å
880	C	83.4	Confident	77.1	Confident	18 Å²	18	76.1 Å²	76.1	12%	0.122	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.4	172.9	43.6	0	0	0	0	109.1	C850 G857 E858	C850-C880 WeakPolarHBondContact CA-SG 3.37Å; C850-C880 HydrophobicContact CB-CB 3.91Å; C850-C880 WeakPolarHBondContact CB-SG 3.39Å; C850-C880 WeakPolarHBondContact SG-CB 2.98Å; C850-C880 CovalentContact SG-SG 2.02Å; C850-C880 PolarHBondContact SG-SG 2.93Å; G857-C880 PolarHBondContact N-O 3.42Å; G857-C880 PolarHBondContact O-N 3.41Å; E858-C880 VanDerWaalsContact C-SG 3.58Å; E858-C880 PolarHBondContact N-SG 2.85Å; E858-C880 VanDerWaalsContact N-SG 3.41Å
881	K	77.2	Confident	77.8	Confident	167 Å²	167	77 Å²	77	73%	0.726	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.3	178.2	-175	177.7	179.3	-176.7	0	109.5	M856	M856-K881 HydrophobicContact SD-CB 3.71Å; M856-K881 HydrophobicContact SD-CD 4.29Å; M856-K881 HydrophobicContact SD-CG 3.79Å
882	Q	78.5	Confident	78.1	Confident	82 Å²	82	74.2 Å²	74.2	38%	0.383	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-96.4	171.9	165.9	-61.7	-68.7	16.7	0	0	110.4	V852 G855	V852-Q882 HydrophobicContact CG2-CG 4.18Å; V852-Q882 WeakPolarHBondContact O-CG 3.37Å; G855-Q882 WeakPolarHBondContact O-CB 3.31Å; G855-Q882 PolarHBondContact O-N 2.99Å
883	A	73.3	Confident	78.3	Confident	57 Å²	57	80.5 Å²	80.5	47%	0.471	43%	0.432	S	S	.	.	S	Bend	trans	-58.4	152.9	174.8	0	0	0	0	0	112	C854 G855 C885 L913	C854-A883 CarbonylContact C-O 3.57Å; C854-A883 WeakPolarHBondContact CA-O 2.96Å; C854-A883 VanDerWaalsContact CB-O 3.3Å; C854-A883 WeakPolarHBondContact CB-O 3.42Å; G855-A883 PolarHBondContact N-O 2.95Å; A883-C885 PolarHBondContact O-N 2.74Å; A883-L913 HydrophobicContact CB-CD1 3.42Å; A883-L913 VanDerWaalsContact CB-CD1 3.42Å
884	E	68.8	Low	78.3	Confident	156 Å²	156	77.6 Å²	77.6	73%	0.729	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-57.1	132.9	-170.7	-66.3	-174.7	162.4	0	0	112.5	L913	E884-L913 PolarHBondContact O-N 2.88Å
885	C	60.9	Low	78.3	Confident	54 Å²	54	77.9 Å²	77.9	37%	0.365	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-69.4	152.6	177.5	-72.9	0	0	0	0	112	C854 G855 A883 A887 L913	C854-C885 HydrophobicContact CB-CB 3.93Å; C854-C885 WeakPolarHBondContact CB-SG 3.24Å; C854-C885 PolarHBondContact O-SG 2.94Å; C854-C885 WeakPolarHBondContact SG-CA 3.33Å; C854-C885 WeakPolarHBondContact SG-CB 3.36Å; C854-C885 CovalentContact SG-SG 2.05Å; C854-C885 PolarHBondContact SG-SG 3.24Å; G855-C885 PolarHBondContact N-SG 3.15Å; G855-C885 VanDerWaalsContact N-SG 3.44Å; A883-C885 PolarHBondContact O-N 2.74Å; C885-A887 PolarHBondContact O-N 2.82Å; C885-L913 WeakPolarHBondContact CA-O 3.41Å
886	A	74.8	Confident	77.9	Confident	22 Å²	22	78 Å²	78	18%	0.182	42%	0.422	C	S	.	.			trans	-55	111	170.5	0	0	0	0	0	111.3	H911 L913 G914	A886-H911 CarbonylContact C-O 3.57Å; A886-H911 WeakPolarHBondContact CA-O 2.84Å; A886-L913 PolarHBondContact N-O 3.1Å; A886-G914 WeakPolarHBondContact CB-O 3.23Å
887	A	65.8	Low	77.3	Confident	35 Å²	35	76.8 Å²	76.8	29%	0.289	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	146.6	175.9	0	0	0	0	0	110	C885 H911 C916	C885-A887 PolarHBondContact O-N 2.82Å; A887-H911 PolarHBondContact N-O 3.16Å; A887-H911 PolarHBondContact O-N 3.49Å; A887-C916 PolarHBondContact O-SG 2.88Å; A887-C916 VanDerWaalsContact O-SG 3.39Å
888	W	79.7	Confident	76.7	Confident	66 Å²	66	77.9 Å²	77.9	25%	0.25	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	135.6	170.7	-68.4	113.4	0	0	0	110.3	R908 Q909 C910 C916 V917 G918 N920	W888-R908 HydrophobicContact CB-CG 4.39Å; W888-R908 HydrophobicContact CD2-CG 4.01Å; W888-R908 HydrophobicContact CE3-CB 4.46Å; W888-R908 HydrophobicContact CE3-CG 3.66Å; W888-R908 HydrophobicContact CG-CG 4.34Å; W888-R908 HydrophobicContact CZ3-CG 4.3Å; W888-Q909 CarbonylContact C-O 3.55Å; W888-Q909 WeakPolarHBondContact CA-O 3.5Å; W888-C910 HydrophobicContact CE3-CB 3.95Å; W888-C910 HydrophobicContact CH2-CB 4.28Å; W888-C910 HydrophobicContact CZ3-CB 3.73Å; W888-C916 HydrophobicContact CD2-CB 3.67Å; W888-C916 HydrophobicContact CE3-CB 4.16Å; W888-C916 HydrophobicContact CG-CB 4.14Å; W888-C916 HydrophobicContact CH2-CB 3.98Å; W888-C916 HydrophobicContact CZ2-CB 3.46Å; W888-C916 VanDerWaalsContact CZ2-CB 3.46Å; W888-C916 HydrophobicContact CZ3-CB 4.32Å; W888-V917 PolarHBondContact NE1-O 2.92Å; W888-G918 WeakPolarHBondContact CZ2-O 3.29Å; W888-N920 HydrophobicContact CH2-CB 3.71Å; W888-N920 HydrophobicContact CZ3-CB 3.66Å
889	A	80.6	Confident	75.6	Confident	24 Å²	24	82.3 Å²	82.3	20%	0.198	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-55.4	157.4	160.1	0	0	0	0	0	110.3	Q909	A889-Q909 HydrophobicContact CB-CB 4.37Å; A889-Q909 WeakPolarHBondContact CB-O 3.43Å; A889-Q909 PolarHBondContact N-O 3.18Å
890	P	80.1	Confident	74.4	Confident	121 Å²	121	78.2 Å²	78.2	79%	0.786	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-49.4	145	165.6	-24.4	34.1	0	0	0	110.8	E892	P890-E892 PolarHBondContact O-N 3.27Å
891	W	81.7	Confident	73.3	Confident	42 Å²	42	79.9 Å²	79.9	16%	0.159	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-57.9	137	171	-72.2	104.2	0	0	0	110.5	R906 R908 D922	W891-R906 HydrophobicContact CD2-CG 4.06Å; W891-R906 HydrophobicContact CE3-CB 4.23Å; W891-R906 HydrophobicContact CE3-CG 3.58Å; W891-R906 HydrophobicContact CZ3-CG 4.05Å; W891-R908 HydrophobicContact CD2-CB 4.18Å; W891-R908 HydrophobicContact CD2-CG 4.1Å; W891-R908 VanDerWaalsContact CE2-CD 3.49Å; W891-R908 HydrophobicContact CE3-CB 3.86Å; W891-R908 HydrophobicContact CE3-CG 3.78Å; W891-R908 HydrophobicContact CH2-CG 3.95Å; W891-R908 HydrophobicContact CZ2-CG 4.27Å; W891-R908 VanDerWaalsContact CZ2-NE 3.35Å; W891-R908 HydrophobicContact CZ3-CB 4.23Å; W891-R908 HydrophobicContact CZ3-CG 3.71Å; W891-D922 HydrophobicContact CE3-CB 4.49Å; W891-D922 HydrophobicContact CH2-CB 3.55Å; W891-D922 HydrophobicContact CZ2-CB 3.97Å; W891-D922 HydrophobicContact CZ3-CB 3.84Å
892	E	83.2	Confident	72.9	Confident	102 Å²	102	72 Å²	72	48%	0.477	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-60.9	164.4	164.9	-66.6	172.4	173.8	0	0	110.6	P890 S907	P890-E892 PolarHBondContact O-N 3.27Å; E892-S907 WeakPolarHBondContact CB-O 3.37Å; E892-S907 WeakPolarHBondContact CG-O 3.17Å; E892-S907 PolarHBondContact N-O 2.95Å; E892-S907 PolarHBondContact OE2-OG 2.85Å
893	Q	79.5	Confident	72.6	Confident	187 Å²	187	70.7 Å²	70.7	87%	0.874	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-61.4	144.9	176.6	-67.7	-173.9	2.2	0	0	110.9
894	W	80.9	Confident	73.1	Confident	48 Å²	48	71.5 Å²	71.5	18%	0.182	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-58.4	138.2	171.5	-74.5	108.4	0	0	0	110.9	R904 F905 R906 D922 E924	W894-R904 HydrophobicContact CD2-CG 4.05Å; W894-R904 HydrophobicContact CE3-CB 4.13Å; W894-R904 HydrophobicContact CE3-CG 3.6Å; W894-R904 HydrophobicContact CG-CG 4.5Å; W894-R904 HydrophobicContact CZ3-CG 4.09Å; W894-R904 VanDerWaalsContact CZ3-O 3.32Å; W894-R904 WeakPolarHBondContact CZ3-O 3.3Å; W894-F905 CarbonylContact C-O 3.6Å; W894-F905 WeakPolarHBondContact CA-O 3.17Å; W894-F905 VanDerWaalsContact CE3-C 3.45Å; W894-R906 HydrophobicContact CD2-CB 4.12Å; W894-R906 HydrophobicContact CD2-CG 4.03Å; W894-R906 HydrophobicContact CE3-CB 3.87Å; W894-R906 HydrophobicContact CE3-CG 3.78Å; W894-R906 HydrophobicContact CH2-CG 3.85Å; W894-R906 HydrophobicContact CZ2-CG 4.09Å; W894-R906 VanDerWaalsContact CZ2-CZ 3.46Å; W894-R906 VanDerWaalsContact CZ2-NE 3.27Å; W894-R906 HydrophobicContact CZ3-CB 4.23Å; W894-R906 HydrophobicContact CZ3-CG 3.68Å; W894-D922 HydrophobicContact CH2-CB 4.28Å; W894-D922 WeakPolarHBondContact CH2-OD2 3.5Å; W894-E924 HydrophobicContact CH2-CB 3.66Å; W894-E924 HydrophobicContact CZ2-CB 4.11Å; W894-E924 HydrophobicContact CZ3-CB 4.02Å
895	S	78.9	Confident	73.8	Confident	51 Å²	51	69.4 Å²	69.4	36%	0.357	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-61.5	162.9	168.8	76.9	0	0	0	0	111.2	R904 F905	S895-R904 WeakPolarHBondContact O-CB 3.3Å; S895-R904 WeakPolarHBondContact OG-CA 3.19Å; S895-F905 PolarHBondContact N-O 2.68Å; S895-F905 PolarHBondContact OG-N 3.16Å
896	A	73	Confident	75.1	Confident	77 Å²	77	67.6 Å²	67.6	64%	0.636	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-56.7	154.2	164.4	0	0	0	0	0	110.8	S898	A896-S898 PolarHBondContact O-N 3.34Å
897	C	74	Confident	75.4	Confident	28 Å²	28	68.5 Å²	68.5	19%	0.189	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-66.8	132	176.2	-158.7	0	0	0	0	110	R899 C926 I928	C897-R899 PolarHBondContact O-N 2.87Å; C897-R899 PolarHBondContact SG-O 3.24Å; C897-C926 WeakPolarHBondContact CA-SG 3.33Å; C897-C926 HydrophobicContact CB-CB 3.91Å; C897-C926 WeakPolarHBondContact CB-SG 3.39Å; C897-C926 VanDerWaalsContact SG-C 3.57Å; C897-C926 WeakPolarHBondContact SG-CB 3.29Å; C897-C926 PolarHBondContact SG-O 2.59Å; C897-C926 CovalentContact SG-SG 2.01Å; C897-C926 PolarHBondContact SG-SG 2.87Å; C897-I928 HydrophobicContact CB-CD1 4.08Å; C897-I928 HydrophobicContact CB-CG1 4.1Å
898	S	69.4	Low	76.3	Confident	79 Å²	79	68.1 Å²	68.1	55%	0.552	36%	0.364	S	S	*	.	S	Bend	trans	-65.1	-21.1	-175.2	63.9	0	0	0	0	114.6	A896 M903	A896-S898 PolarHBondContact O-N 3.34Å; S898-M903 WeakPolarHBondContact CB-O 3.39Å; S898-M903 PolarHBondContact N-O 2.83Å; S898-M903 PolarHBondContact OG-N 3.12Å; S898-M903 PolarHBondContact OG-O 3Å
899	R	62.1	Low	76.5	Confident	169 Å²	169	70.6 Å²	70.6	64%	0.638	38%	0.378	S	S	*	.	S	Bend	trans	-163.5	172.7	176.4	58	-178.2	-170.6	-178.9	2.9	109.3	C897 A901 G902	C897-R899 PolarHBondContact O-N 2.87Å; C897-R899 PolarHBondContact SG-O 3.24Å; R899-A901 WeakPolarHBondContact CG-O 3.24Å; R899-A901 PolarHBondContact NE-O 2.77Å; R899-A901 PolarHBondContact NH2-O 3.2Å; R899-A901 PolarHBondContact O-N 2.94Å; R899-G902 PolarHBondContact O-N 2.79Å; R899-G902 VanDerWaalsContact O-N 3.15Å
900	S	56.1	Low	76.4	Confident	58 Å²	58	72.1 Å²	72.1	41%	0.406	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-29.8	-179	9.4	0	0	0	0	114.3	M927 I928 L960	S900-M927 VanDerWaalsContact O-CA 3.31Å; S900-M927 WeakPolarHBondContact O-CA 3.38Å; S900-I928 PolarHBondContact O-N 3.17Å; S900-L960 WeakPolarHBondContact OG-CD2 3.31Å
901	A	60.6	Low	76.3	Confident	53 Å²	53	71.4 Å²	71.4	44%	0.438	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	78.8	165.3	0	0	0	0	0	109	R899 C926	R899-A901 WeakPolarHBondContact CG-O 3.24Å; R899-A901 PolarHBondContact NE-O 2.77Å; R899-A901 PolarHBondContact NH2-O 3.2Å; R899-A901 PolarHBondContact O-N 2.94Å; A901-C926 CarbonylContact C-O 3.52Å; A901-C926 WeakPolarHBondContact CA-O 3Å
902	G	68.9	Low	75.6	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.01	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-165.6	-163.8	0	0	0	0	0	114.7	R899 H925 C926	R899-G902 PolarHBondContact O-N 2.79Å; R899-G902 VanDerWaalsContact O-N 3.15Å; G902-H925 CarbonylContact O-C 3.55Å; G902-H925 WeakPolarHBondContact O-CA 3.4Å; G902-C926 PolarHBondContact N-O 3.22Å; G902-C926 PolarHBondContact O-N 3.34Å; G902-C926 PolarHBondContact O-SG 3.34Å
903	M	72.4	Confident	74.8	Confident	54 Å²	54	71.7 Å²	71.7	27%	0.266	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	142.1	175.1	-64.8	-70.3	-77.5	0	0	109.1	S898 F905 S923 E924 H925	S898-M903 WeakPolarHBondContact CB-O 3.39Å; S898-M903 PolarHBondContact N-O 2.83Å; S898-M903 PolarHBondContact OG-N 3.12Å; S898-M903 PolarHBondContact OG-O 3Å; M903-F905 HydrophobicContact CB-CE2 4.11Å; M903-F905 HydrophobicContact CB-CZ 3.96Å; M903-S923 WeakPolarHBondContact CE-OG 3.22Å; M903-E924 CarbonylContact C-O 3.56Å; M903-E924 VanDerWaalsContact CA-O 3.31Å; M903-E924 WeakPolarHBondContact CA-O 3.46Å; M903-H925 VanDerWaalsContact SD-CE1 3.55Å; M903-H925 PolarHBondContact SD-ND1 3.46Å
904	R	84.1	Confident	74.1	Confident	74 Å²	74	65.7 Å²	65.7	28%	0.279	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	152.2	165.7	59.9	179.5	-166.6	173.1	-1.7	109.9	W894 S895 S923 E924 C926	W894-R904 HydrophobicContact CD2-CG 4.05Å; W894-R904 HydrophobicContact CE3-CB 4.13Å; W894-R904 HydrophobicContact CE3-CG 3.6Å; W894-R904 HydrophobicContact CG-CG 4.5Å; W894-R904 HydrophobicContact CZ3-CG 4.09Å; W894-R904 VanDerWaalsContact CZ3-O 3.32Å; W894-R904 WeakPolarHBondContact CZ3-O 3.3Å; S895-R904 WeakPolarHBondContact O-CB 3.3Å; S895-R904 WeakPolarHBondContact OG-CA 3.19Å; R904-S923 CarbonylContact O-C 3.54Å; R904-S923 WeakPolarHBondContact O-CA 3.46Å; R904-E924 HydrophobicContact CG-CB 4.07Å; R904-E924 IonicContact CZ-OE2 3.79Å; R904-E924 PolarHBondContact N-O 2.84Å; R904-E924 IonicContact NE-OE2 3.04Å; R904-E924 PolarHBondContact NE-OE2 3.18Å; R904-E924 IonicContact NH2-OE2 3.47Å; R904-E924 PolarHBondContact NH2-OE2 3.32Å; R904-E924 PolarHBondContact O-N 2.04Å; R904-C926 HydrophobicContact CG-CB 4.35Å
905	F	83.1	Confident	73.5	Confident	112 Å²	112	72.7 Å²	72.7	49%	0.491	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.7	-173.2	-55.6	-90.6	0	0	0	111.4	W894 S895 M903 D922	W894-F905 CarbonylContact C-O 3.6Å; W894-F905 WeakPolarHBondContact CA-O 3.17Å; W894-F905 VanDerWaalsContact CE3-C 3.45Å; S895-F905 PolarHBondContact N-O 2.68Å; S895-F905 PolarHBondContact OG-N 3.16Å; M903-F905 HydrophobicContact CB-CE2 4.11Å; M903-F905 HydrophobicContact CB-CZ 3.96Å; F905-D922 CarbonylContact C-O 3.37Å; F905-D922 VanDerWaalsContact CA-O 3.27Å; F905-D922 WeakPolarHBondContact CA-O 3.23Å
906	R	87.6	Confident	73	Confident	16 Å²	16	71.4 Å²	71.4	6%	0.06	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	156.6	170.2	61.1	178.5	-179.9	-175.9	-8.1	110.8	D117 W891 W894 S921 D922	D117-R906 IonicContact OD1-CZ 2.6Å; D117-R906 IonicContact OD1-NH1 3.1Å; D117-R906 IonicContact OD1-NH2 2.71Å; D117-R906 PolarHBondContact OD1-NH2 2.99Å; W891-R906 HydrophobicContact CD2-CG 4.06Å; W891-R906 HydrophobicContact CE3-CB 4.23Å; W891-R906 HydrophobicContact CE3-CG 3.58Å; W891-R906 HydrophobicContact CZ3-CG 4.05Å; W894-R906 HydrophobicContact CD2-CB 4.12Å; W894-R906 HydrophobicContact CD2-CG 4.03Å; W894-R906 HydrophobicContact CE3-CB 3.87Å; W894-R906 HydrophobicContact CE3-CG 3.78Å; W894-R906 HydrophobicContact CH2-CG 3.85Å; W894-R906 HydrophobicContact CZ2-CG 4.09Å; W894-R906 VanDerWaalsContact CZ2-CZ 3.46Å; W894-R906 VanDerWaalsContact CZ2-NE 3.27Å; W894-R906 HydrophobicContact CZ3-CB 4.23Å; W894-R906 HydrophobicContact CZ3-CG 3.68Å; R906-S921 CarbonylContact O-C 3.5Å; R906-S921 VanDerWaalsContact O-CA 3.3Å; R906-S921 WeakPolarHBondContact O-CA 3.41Å; R906-D922 HydrophobicContact CG-CB 3.77Å; R906-D922 IonicContact CZ-OD2 2.68Å; R906-D922 PolarHBondContact N-O 3.36Å; R906-D922 IonicContact NE-OD2 3.54Å; R906-D922 PolarHBondContact NE-OD2 2.89Å; R906-D922 IonicContact NH2-OD2 2.72Å; R906-D922 PolarHBondContact NH2-OD2 3.47Å; R906-D922 PolarHBondContact O-N 2.94Å
907	S	82.6	Confident	72.5	Confident	42 Å²	42	73.2 Å²	73.2	29%	0.294	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	161.7	-179.7	99.7	0	0	0	0	112.9	E892 N920	E892-S907 WeakPolarHBondContact CB-O 3.37Å; E892-S907 WeakPolarHBondContact CG-O 3.17Å; E892-S907 PolarHBondContact N-O 2.95Å; E892-S907 PolarHBondContact OE2-OG 2.85Å; S907-N920 CarbonylContact C-O 3.58Å; S907-N920 WeakPolarHBondContact CA-O 3Å
908	R	84.9	Confident	71.9	Confident	27 Å²	27	73.5 Å²	73.5	10%	0.102	41%	0.413	C	S	.	.			trans	-147.3	148.1	176.5	61.8	-176.6	-177.5	-171.5	-14.7	111.8	D116 W888 W891 H919 N920	D116-R908 IonicContact OD1-CZ 2.72Å; D116-R908 IonicContact OD1-NH1 2.97Å; D116-R908 IonicContact OD1-NH2 2.67Å; D116-R908 PolarHBondContact OD1-NH2 2.82Å; W888-R908 HydrophobicContact CB-CG 4.39Å; W888-R908 HydrophobicContact CD2-CG 4.01Å; W888-R908 HydrophobicContact CE3-CB 4.46Å; W888-R908 HydrophobicContact CE3-CG 3.66Å; W888-R908 HydrophobicContact CG-CG 4.34Å; W888-R908 HydrophobicContact CZ3-CG 4.3Å; W891-R908 HydrophobicContact CD2-CB 4.18Å; W891-R908 HydrophobicContact CD2-CG 4.1Å; W891-R908 VanDerWaalsContact CE2-CD 3.49Å; W891-R908 HydrophobicContact CE3-CB 3.86Å; W891-R908 HydrophobicContact CE3-CG 3.78Å; W891-R908 HydrophobicContact CH2-CG 3.95Å; W891-R908 HydrophobicContact CZ2-CG 4.27Å; W891-R908 VanDerWaalsContact CZ2-NE 3.35Å; W891-R908 HydrophobicContact CZ3-CB 4.23Å; W891-R908 HydrophobicContact CZ3-CG 3.71Å; R908-H919 PolarHBondContact NE-O 2.87Å; R908-H919 PolarHBondContact NH2-O 2.8Å; R908-N920 PolarHBondContact N-O 3.06Å
909	Q	82.7	Confident	72	Confident	118 Å²	118	74.8 Å²	74.8	55%	0.551	41%	0.41	S	S	*	.			trans	-99.4	155	179	-62.4	-171.1	-2.6	0	0	112.2	W888 A889	W888-Q909 CarbonylContact C-O 3.55Å; W888-Q909 WeakPolarHBondContact CA-O 3.5Å; A889-Q909 HydrophobicContact CB-CB 4.37Å; A889-Q909 WeakPolarHBondContact CB-O 3.43Å; A889-Q909 PolarHBondContact N-O 3.18Å
910	C	78	Confident	73	Confident	56 Å²	56	71.3 Å²	71.3	38%	0.378	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.8	177.6	178.5	0	0	0	0	110.2	W888 C916	W888-C910 HydrophobicContact CE3-CB 3.95Å; W888-C910 HydrophobicContact CH2-CB 4.28Å; W888-C910 HydrophobicContact CZ3-CB 3.73Å; C910-C916 WeakPolarHBondContact CA-SG 3.21Å; C910-C916 HydrophobicContact CB-CB 3.75Å; C910-C916 WeakPolarHBondContact CB-SG 3.34Å; C910-C916 WeakPolarHBondContact SG-CB 3.26Å; C910-C916 PolarHBondContact SG-N 3.37Å; C910-C916 CovalentContact SG-SG 2.02Å; C910-C916 PolarHBondContact SG-SG 3.44Å
911	H	78.2	Confident	74.1	Confident	105 Å²	105	72 Å²	72	49%	0.486	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.8	179	-59.2	-72.7	0	0	0	110.9	A886 A887	A886-H911 CarbonylContact C-O 3.57Å; A886-H911 WeakPolarHBondContact CA-O 2.84Å; A887-H911 PolarHBondContact N-O 3.16Å; A887-H911 PolarHBondContact O-N 3.49Å
912	G	68.1	Low	75.1	Confident	48 Å²	48	71.5 Å²	71.5	50%	0.495	40%	0.399	S	S	.	.	S	Bend	trans	109.1	176.3	176.7	0	0	0	0	0	114.3
913	L	66	Low	75.6	Confident	103 Å²	103	74.2 Å²	74.2	54%	0.539	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-82.2	122.5	-179.7	-73.3	169.4	0	0	0	111.4	C854 A883 E884 C885 A886	C854-L913 HydrophobicContact CB-CB 4.25Å; A883-L913 HydrophobicContact CB-CD1 3.42Å; A883-L913 VanDerWaalsContact CB-CD1 3.42Å; E884-L913 PolarHBondContact O-N 2.88Å; C885-L913 WeakPolarHBondContact CA-O 3.41Å; A886-L913 PolarHBondContact N-O 3.1Å
914	G	65.8	Low	75.6	Confident	61 Å²	61	74.2 Å²	74.2	63%	0.629	42%	0.417	S	S	*	.	S	Bend	trans	125.4	-165.6	-179.4	0	0	0	0	0	112.5	A886	A886-G914 WeakPolarHBondContact CB-O 3.23Å
915	K	67.2	Low	75.1	Confident	195 Å²	195	77.7 Å²	77.7	85%	0.848	44%	0.436	S	S	*	.			trans	-111.1	125	172.9	-66.9	-176.3	179	-176.9	0	108.8	V917	K915-V917 PolarHBondContact O-N 3.22Å
916	C	67.7	Low	74.2	Confident	23 Å²	23	73.3 Å²	73.3	16%	0.155	42%	0.419	C	S	.	.			trans	-66.9	132.5	170.6	-62	0	0	0	0	110.1	A887 W888 C910	A887-C916 PolarHBondContact O-SG 2.88Å; A887-C916 VanDerWaalsContact O-SG 3.39Å; W888-C916 HydrophobicContact CD2-CB 3.67Å; W888-C916 HydrophobicContact CE3-CB 4.16Å; W888-C916 HydrophobicContact CG-CB 4.14Å; W888-C916 HydrophobicContact CH2-CB 3.98Å; W888-C916 HydrophobicContact CZ2-CB 3.46Å; W888-C916 VanDerWaalsContact CZ2-CB 3.46Å; W888-C916 HydrophobicContact CZ3-CB 4.32Å; C910-C916 WeakPolarHBondContact CA-SG 3.21Å; C910-C916 HydrophobicContact CB-CB 3.75Å; C910-C916 WeakPolarHBondContact CB-SG 3.34Å; C910-C916 WeakPolarHBondContact SG-CB 3.26Å; C910-C916 PolarHBondContact SG-N 3.37Å; C910-C916 CovalentContact SG-SG 2.02Å; C910-C916 PolarHBondContact SG-SG 3.44Å
917	V	63.3	Low	72.9	Confident	115 Å²	115	80.2 Å²	80.2	70%	0.697	45%	0.454	S	S	*	.			trans	-96.5	128.4	178.5	-178.5	0	0	0	0	108.6	W888 K915	W888-V917 PolarHBondContact NE1-O 2.92Å; K915-V917 PolarHBondContact O-N 3.22Å
918	G	61.6	Low	71.6	Confident	35 Å²	35	80.9 Å²	80.9	36%	0.361	45%	0.454	S	S	.	.	S	Bend	trans	122.2	175.2	-176.7	0	0	0	0	0	112.9	W888	W888-G918 WeakPolarHBondContact CZ2-O 3.29Å
919	H	72.2	Confident	70	Confident	106 Å²	106	88.7 Å²	88.7	49%	0.491	49%	0.489	S	S	.	.			trans	-80.6	144.9	179.9	-65.5	-82.7	0	0	0	111.7	D116 R908 S921	D116-H919 IonicContact OD2-CD2 2.69Å; R908-H919 PolarHBondContact NE-O 2.87Å; R908-H919 PolarHBondContact NH2-O 2.8Å; H919-S921 VanDerWaalsContact C-N 3.31Å; H919-S921 WeakPolarHBondContact CB-O 3.45Å
920	N	81.6	Confident	68.6	Low	96 Å²	96	86.8 Å²	86.8	51%	0.513	49%	0.485	S	S	.	.	S	Bend	trans	-87.2	-0.9	170.8	66.3	-15.5	0	0	0	113	W888 S907 R908	W888-N920 HydrophobicContact CH2-CB 3.71Å; W888-N920 HydrophobicContact CZ3-CB 3.66Å; S907-N920 CarbonylContact C-O 3.58Å; S907-N920 WeakPolarHBondContact CA-O 3Å; R908-N920 PolarHBondContact N-O 3.06Å
921	S	79	Confident	67.7	Low	71 Å²	71	87 Å²	87	50%	0.497	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	148.6	178.7	59.7	0	0	0	0	111	R906 H919	R906-S921 CarbonylContact O-C 3.5Å; R906-S921 VanDerWaalsContact O-CA 3.3Å; R906-S921 WeakPolarHBondContact O-CA 3.41Å; H919-S921 VanDerWaalsContact C-N 3.31Å; H919-S921 WeakPolarHBondContact CB-O 3.45Å
922	D	81.9	Confident	66.9	Low	44 Å²	44	87.9 Å²	87.9	24%	0.235	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	155	178.7	-175.5	19.7	0	0	0	110.5	W891 W894 F905 R906	W891-D922 HydrophobicContact CE3-CB 4.49Å; W891-D922 HydrophobicContact CH2-CB 3.55Å; W891-D922 HydrophobicContact CZ2-CB 3.97Å; W891-D922 HydrophobicContact CZ3-CB 3.84Å; W894-D922 HydrophobicContact CH2-CB 4.28Å; W894-D922 WeakPolarHBondContact CH2-OD2 3.5Å; F905-D922 CarbonylContact C-O 3.37Å; F905-D922 VanDerWaalsContact CA-O 3.27Å; F905-D922 WeakPolarHBondContact CA-O 3.23Å; R906-D922 HydrophobicContact CG-CB 3.77Å; R906-D922 IonicContact CZ-OD2 2.68Å; R906-D922 PolarHBondContact N-O 3.36Å; R906-D922 IonicContact NE-OD2 3.54Å; R906-D922 PolarHBondContact NE-OD2 2.89Å; R906-D922 IonicContact NH2-OD2 2.72Å; R906-D922 PolarHBondContact NH2-OD2 3.47Å; R906-D922 PolarHBondContact O-N 2.94Å
923	S	80.5	Confident	66.9	Low	57 Å²	57	90 Å²	90	40%	0.399	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.5	-175.3	73.7	0	0	0	0	112.8	M903 R904	M903-S923 WeakPolarHBondContact CE-OG 3.22Å; R904-S923 CarbonylContact O-C 3.54Å; R904-S923 WeakPolarHBondContact O-CA 3.46Å
924	E	71.8	Confident	67.2	Low	55 Å²	55	85.7 Å²	85.7	26%	0.257	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	146.6	-177.8	-167.9	-173.2	-169.3	0	0	112.2	W894 M903 R904	W894-E924 HydrophobicContact CH2-CB 3.66Å; W894-E924 HydrophobicContact CZ2-CB 4.11Å; W894-E924 HydrophobicContact CZ3-CB 4.02Å; M903-E924 CarbonylContact C-O 3.56Å; M903-E924 VanDerWaalsContact CA-O 3.31Å; M903-E924 WeakPolarHBondContact CA-O 3.46Å; R904-E924 HydrophobicContact CG-CB 4.07Å; R904-E924 IonicContact CZ-OE2 3.79Å; R904-E924 PolarHBondContact N-O 2.84Å; R904-E924 IonicContact NE-OE2 3.04Å; R904-E924 PolarHBondContact NE-OE2 3.18Å; R904-E924 IonicContact NH2-OE2 3.47Å; R904-E924 PolarHBondContact NH2-OE2 3.32Å; R904-E924 PolarHBondContact O-N 2.04Å
925	H	73	Confident	67.9	Low	146 Å²	146	83.8 Å²	83.8	68%	0.676	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	136	168.3	-92.8	71	0	0	0	111.3	G902 M903	G902-H925 CarbonylContact O-C 3.55Å; G902-H925 WeakPolarHBondContact O-CA 3.4Å; M903-H925 VanDerWaalsContact SD-CE1 3.55Å; M903-H925 PolarHBondContact SD-ND1 3.46Å
926	C	65.2	Low	68.1	Low	20 Å²	20	74.9 Å²	74.9	14%	0.135	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	144.2	177.5	44.5	0	0	0	0	110.9	C897 A901 G902 R904	C897-C926 WeakPolarHBondContact CA-SG 3.33Å; C897-C926 HydrophobicContact CB-CB 3.91Å; C897-C926 WeakPolarHBondContact CB-SG 3.39Å; C897-C926 VanDerWaalsContact SG-C 3.57Å; C897-C926 WeakPolarHBondContact SG-CB 3.29Å; C897-C926 PolarHBondContact SG-O 2.59Å; C897-C926 CovalentContact SG-SG 2.01Å; C897-C926 PolarHBondContact SG-SG 2.87Å; A901-C926 CarbonylContact C-O 3.52Å; A901-C926 WeakPolarHBondContact CA-O 3Å; G902-C926 PolarHBondContact N-O 3.22Å; G902-C926 PolarHBondContact O-N 3.34Å; G902-C926 PolarHBondContact O-SG 3.34Å; R904-C926 HydrophobicContact CG-CB 4.35Å
927	M	58.9	Low	68.5	Low	161 Å²	161	79.6 Å²	79.6	79%	0.793	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	135.9	170.3	-64.7	-169.5	-142.1	0	0	109.2	S900	S900-M927 VanDerWaalsContact O-CA 3.31Å; S900-M927 WeakPolarHBondContact O-CA 3.38Å
928	I	57	Low	69.5	Low	57 Å²	57	77.5 Å²	77.5	29%	0.292	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-97.3	124.3	178	-53.3	176.9	0	0	0	108.7	C897 S900 T936	C897-I928 HydrophobicContact CB-CD1 4.08Å; C897-I928 HydrophobicContact CB-CG1 4.1Å; S900-I928 PolarHBondContact O-N 3.17Å; I928-T936 HydrophobicContact CD1-CG2 4.45Å; I928-T936 HydrophobicContact CG2-CG2 3.83Å
929	F	50.1	Low	70.2	Confident	190 Å²	190	77.7 Å²	77.7	83%	0.833	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-71.5	131.5	172.2	-67.7	-82.9	0	0	0	109.8
930	V	54.6	Low	70.6	Confident	79 Å²	79	76.8 Å²	76.8	48%	0.479	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-94.7	133.2	-177.1	-164.5	0	0	0	0	109.4	L960	V930-L960 HydrophobicContact CB-CD1 4.2Å; V930-L960 HydrophobicContact CG1-CB 4.15Å; V930-L960 HydrophobicContact CG1-CD1 3.94Å; V930-L960 HydrophobicContact CG2-CD1 3.29Å
931	N	57.9	Low	70.8	Confident	61 Å²	61	75.5 Å²	75.5	33%	0.326	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-77	160.7	178.9	-50.1	32.1	0	0	0	108.8	N933 G934 W935 E937	N931-N933 PolarHBondContact O-N 3.39Å; N931-G934 PolarHBondContact O-N 2.83Å; N931-G934 VanDerWaalsContact O-N 3.1Å; N931-W935 PolarHBondContact N-O 2.05Å; N931-W935 VanDerWaalsContact N-O 3.16Å; N931-W935 PolarHBondContact OD1-O 3.07Å; N931-E937 PolarHBondContact ND2-OE1 2.79Å; N931-E937 PolarHBondContact OD1-OE1 2.94Å
932	S	62.1	Low	70.8	Confident	123 Å²	123	74.1 Å²	74.1	86%	0.86	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-14.6	177.9	45	0	0	0	0	114.9
933	N	68.2	Low	70.9	Confident	93 Å²	93	79.2 Å²	79.2	50%	0.497	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	21.9	-173.4	-42.4	11	0	0	0	111.2	N931 W935 M965	N931-N933 PolarHBondContact O-N 3.39Å; N933-W935 PolarHBondContact O-N 3.17Å; N933-M965 CarbonylContact C-O 3.51Å; N933-M965 VanDerWaalsContact C-O 3.31Å
934	G	71.6	Confident	71.2	Confident	12 Å²	12	77.8 Å²	77.8	12%	0.124	42%	0.418	C	S	.	.	S	Bend	trans	68.7	-12.5	176.7	0	0	0	0	0	116.4	N931 L960	N931-G934 PolarHBondContact O-N 2.83Å; N931-G934 VanDerWaalsContact O-N 3.1Å; G934-L960 PolarHBondContact O-N 3.29Å
935	W	80.5	Confident	71.8	Confident	20 Å²	20	79 Å²	79	8%	0.076	43%	0.432	C	S	.	.	B	Isolated β-bridge	trans	-78.5	143.8	175.4	-70.7	109.8	0	0	0	112	N931 N933 R957 T958 C959 C966 P967 G968 F970	N931-W935 PolarHBondContact N-O 2.05Å; N931-W935 VanDerWaalsContact N-O 3.16Å; N931-W935 PolarHBondContact OD1-O 3.07Å; N933-W935 PolarHBondContact O-N 3.17Å; W935-R957 HydrophobicContact CD2-CG 4.2Å; W935-R957 HydrophobicContact CE3-CB 4.19Å; W935-R957 HydrophobicContact CE3-CG 3.52Å; W935-R957 HydrophobicContact CZ3-CG 3.8Å; W935-T958 WeakPolarHBondContact CA-O 3.46Å; W935-C959 HydrophobicContact CE3-CB 4.1Å; W935-C959 HydrophobicContact CH2-CB 4.21Å; W935-C959 HydrophobicContact CZ3-CB 3.85Å; W935-C966 HydrophobicContact CD2-CB 4.13Å; W935-C966 HydrophobicContact CH2-CB 4.23Å; W935-C966 HydrophobicContact CZ2-CB 3.62Å; W935-C966 VanDerWaalsContact CZ2-O 3.27Å; W935-C966 WeakPolarHBondContact CZ2-O 3.39Å; W935-P967 PolarHBondContact NE1-O 3.16Å; W935-G968 VanDerWaalsContact CZ2-O 3.23Å; W935-G968 WeakPolarHBondContact CZ2-O 3.38Å; W935-F970 HydrophobicContact CH2-CB 3.96Å; W935-F970 HydrophobicContact CZ3-CB 3.86Å
936	T	70.7	Confident	71.9	Confident	8 Å²	8	79.2 Å²	79.2	5%	0.049	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-70.6	161.2	157.6	66.3	0	0	0	0	110.7	I928 T958 L960	I928-T936 HydrophobicContact CD1-CG2 4.45Å; I928-T936 HydrophobicContact CG2-CG2 3.83Å; T936-T958 PolarHBondContact N-O 2.95Å; T936-T958 PolarHBondContact OG1-N 3.33Å; T936-L960 HydrophobicContact CG2-CD1 3.59Å; T936-L960 HydrophobicContact CG2-CG 4.06Å
937	E	77.9	Confident	72.3	Confident	122 Å²	122	84.6 Å²	84.6	57%	0.57	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-51.6	148.7	161.9	-74.4	-61.7	136.3	0	0	111.7	N931	N931-E937 PolarHBondContact ND2-OE1 2.79Å; N931-E937 PolarHBondContact OD1-OE1 2.94Å
938	W	83.5	Confident	73.3	Confident	72 Å²	72	78.5 Å²	78.5	27%	0.273	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-65.3	140.3	173.9	-77	102.1	0	0	0	110.5	R955 Y956 R957 D969 A972	W938-R955 HydrophobicContact CD2-CG 4.27Å; W938-R955 HydrophobicContact CE3-CB 4.31Å; W938-R955 HydrophobicContact CE3-CG 3.6Å; W938-R955 HydrophobicContact CZ3-CG 4.03Å; W938-Y956 CarbonylContact C-O 3.55Å; W938-Y956 WeakPolarHBondContact CA-O 3.1Å; W938-Y956 VanDerWaalsContact CE3-C 3.42Å; W938-R957 HydrophobicContact CD2-CB 4.09Å; W938-R957 HydrophobicContact CD2-CG 4.01Å; W938-R957 HydrophobicContact CE3-CB 3.96Å; W938-R957 HydrophobicContact CE3-CG 3.86Å; W938-R957 HydrophobicContact CH2-CG 3.82Å; W938-R957 HydrophobicContact CZ2-CG 3.98Å; W938-R957 HydrophobicContact CZ3-CB 4.31Å; W938-R957 HydrophobicContact CZ3-CG 3.76Å; W938-D969 WeakPolarHBondContact CH2-O 3.32Å; W938-A972 HydrophobicContact CH2-CB 3.66Å; W938-A972 HydrophobicContact CZ2-CB 4.27Å; W938-A972 HydrophobicContact CZ3-CB 3.8Å
939	S	76.4	Confident	74.4	Confident	39 Å²	39	76.7 Å²	76.7	27%	0.273	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-61.5	161.3	167.9	78.1	0	0	0	0	110.8	Y956	S939-Y956 PolarHBondContact N-O 2.81Å; S939-Y956 PolarHBondContact OG-N 3.48Å
940	A	80.2	Confident	75.8	Confident	87 Å²	87	71.4 Å²	71.4	72%	0.719	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-55.1	150.5	162.9	0	0	0	0	0	110.4
941	W	85.5	Confident	77.3	Confident	69 Å²	69	67.9 Å²	67.9	26%	0.261	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-64.3	141	170	-72.1	109.1	0	0	0	110.3	R953 R954 R955 A972 E974	W941-R953 HydrophobicContact CB-CB 4.37Å; W941-R953 HydrophobicContact CB-CG 4.26Å; W941-R953 HydrophobicContact CD2-CG 3.94Å; W941-R953 HydrophobicContact CE3-CB 4.09Å; W941-R953 HydrophobicContact CE3-CG 3.62Å; W941-R953 HydrophobicContact CG-CG 4.24Å; W941-R953 HydrophobicContact CZ3-CG 4.21Å; W941-R953 VanDerWaalsContact CZ3-O 3.29Å; W941-R953 WeakPolarHBondContact CZ3-O 3.04Å; W941-R954 CarbonylContact C-O 3.51Å; W941-R955 HydrophobicContact CD2-CB 4.03Å; W941-R955 HydrophobicContact CD2-CG 3.96Å; W941-R955 HydrophobicContact CE3-CB 3.82Å; W941-R955 HydrophobicContact CE3-CG 3.77Å; W941-R955 HydrophobicContact CH2-CG 3.76Å; W941-R955 HydrophobicContact CZ2-CG 3.95Å; W941-R955 HydrophobicContact CZ3-CB 4.19Å; W941-R955 HydrophobicContact CZ3-CG 3.68Å; W941-A972 HydrophobicContact CH2-CB 4.07Å; W941-A972 WeakPolarHBondContact CZ3-O 3.48Å; W941-E974 HydrophobicContact CE3-CB 4.4Å; W941-E974 HydrophobicContact CH2-CB 3.45Å; W941-E974 VanDerWaalsContact CH2-CB 3.45Å; W941-E974 HydrophobicContact CZ2-CB 3.81Å; W941-E974 WeakPolarHBondContact CZ2-OE2 3.43Å; W941-E974 HydrophobicContact CZ3-CB 3.76Å; W941-E974 PolarHBondContact NE1-OE2 3.43Å
942	S	80.2	Confident	78.5	Confident	42 Å²	42	69.3 Å²	69.3	29%	0.294	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-61.9	162.7	168.9	72.4	0	0	0	0	111.3	R953 R954	S942-R953 WeakPolarHBondContact O-CB 3.45Å; S942-R954 PolarHBondContact N-O 3.23Å; S942-R954 WeakPolarHBondContact OG-CG 3.19Å; S942-R954 PolarHBondContact OG-N 3.39Å
943	D	83.9	Confident	79.7	Confident	150 Å²	150	67.3 Å²	67.3	80%	0.802	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-52	150.4	162.7	-63.8	-42	0	0	0	110.7	S945	D943-S945 PolarHBondContact O-N 3.23Å
944	C	85.3	Confident	80.7	Confident	28 Å²	28	69.2 Å²	69.2	19%	0.189	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-61.9	135	176.3	-165.6	0	0	0	0	109.3	R946 C976 M978	C944-R946 PolarHBondContact O-N 3.47Å; C944-C976 WeakPolarHBondContact CA-SG 2.93Å; C944-C976 HydrophobicContact CB-CB 3.92Å; C944-C976 WeakPolarHBondContact CB-SG 3.47Å; C944-C976 WeakPolarHBondContact SG-CB 3.46Å; C944-C976 CovalentContact SG-SG 2.03Å; C944-C976 PolarHBondContact SG-SG 3Å; C944-M978 HydrophobicContact CB-CG 4.21Å; C944-M978 HydrophobicContact CB-SD 4.09Å
945	S	84.6	Confident	81.4	Confident	79 Å²	79	72.2 Å²	72.2	55%	0.552	38%	0.379	S	S	*	.	S	Bend	trans	-63.1	-6.9	-178.6	67.9	0	0	0	0	114.8	D943 G951 L952	D943-S945 PolarHBondContact O-N 3.23Å; S945-G951 WeakPolarHBondContact OG-CA 3.29Å; S945-L952 VanDerWaalsContact CB-O 3.3Å; S945-L952 WeakPolarHBondContact CB-O 3.23Å; S945-L952 PolarHBondContact N-O 2.94Å; S945-L952 PolarHBondContact OG-N 3.03Å; S945-L952 PolarHBondContact OG-O 3.18Å
946	R	75.3	Confident	81.7	Confident	151 Å²	151	76.3 Å²	76.3	57%	0.57	40%	0.395	S	S	*	.			trans	-133.3	148.3	174.8	-61.4	-165.4	177.3	155	-13	110.1	C944 C948 V950 M978	C944-R946 PolarHBondContact O-N 3.47Å; R946-C948 WeakPolarHBondContact CB-O 3.38Å; R946-V950 VanDerWaalsContact CD-O 3.3Å; R946-V950 WeakPolarHBondContact CD-O 3.4Å; R946-V950 PolarHBondContact NH1-O 3.43Å; R946-M978 WeakPolarHBondContact O-CG 3.46Å
947	T	74.7	Confident	82.2	Confident	134 Å²	134	78 Å²	78	82%	0.822	40%	0.401	S	S	*	.	S	Bend	trans	-87.6	-9.7	174.6	49.6	0	0	0	0	113.1
948	C	79.6	Confident	82.2	Confident	33 Å²	33	76.1 Å²	76.1	22%	0.223	40%	0.398	C	S	.	.	S	Bend	trans	-151.2	156.3	173.7	67.4	0	0	0	0	110.2	R946 R979 C981	R946-C948 WeakPolarHBondContact CB-O 3.38Å; C948-R979 CarbonylContact C-O 3.59Å; C948-R979 VanDerWaalsContact CA-O 3.29Å; C948-R979 WeakPolarHBondContact CA-O 3.26Å; C948-R979 WeakPolarHBondContact CB-O 3.32Å; C948-C981 HydrophobicContact CB-CB 3.81Å; C948-C981 WeakPolarHBondContact CB-SG 3.43Å; C948-C981 VanDerWaalsContact SG-CA 3.53Å; C948-C981 WeakPolarHBondContact SG-CB 3.02Å; C948-C981 CovalentContact SG-SG 2.03Å; C948-C981 PolarHBondContact SG-SG 2.79Å
949	G	79.5	Confident	82	Confident	18 Å²	18	74.8 Å²	74.8	19%	0.186	40%	0.398	C	S	.	.	S	Bend	trans	68.9	-158.9	-176.4	0	0	0	0	0	114.7	M978 R979	G949-M978 WeakPolarHBondContact O-CB 3.28Å; G949-M978 PolarHBondContact O-N 3.23Å; G949-R979 PolarHBondContact N-O 3.27Å
950	V	80.7	Confident	81.6	Confident	79 Å²	79	76.1 Å²	76.1	48%	0.479	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.4	-179	-175.6	0	0	0	0	110.7	R946	R946-V950 VanDerWaalsContact CD-O 3.3Å; R946-V950 WeakPolarHBondContact CD-O 3.4Å; R946-V950 PolarHBondContact NH1-O 3.43Å
951	G	84.4	Confident	81	Confident	5 Å²	5	73.5 Å²	73.5	5%	0.052	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	-175.2	173.5	0	0	0	0	0	112.8	S945 T975 C976	S945-G951 WeakPolarHBondContact OG-CA 3.29Å; G951-T975 WeakPolarHBondContact O-CA 3.41Å; G951-C976 PolarHBondContact N-O 3.27Å; G951-C976 PolarHBondContact O-N 3.03Å; G951-C976 PolarHBondContact O-SG 2.97Å
952	L	84.2	Confident	80.2	Confident	91 Å²	91	73.9 Å²	73.9	48%	0.476	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.7	176.6	-76.4	163.3	0	0	0	109.4	S945 E974 T975 C976	S945-L952 VanDerWaalsContact CB-O 3.3Å; S945-L952 WeakPolarHBondContact CB-O 3.23Å; S945-L952 PolarHBondContact N-O 2.94Å; S945-L952 PolarHBondContact OG-N 3.03Å; S945-L952 PolarHBondContact OG-O 3.18Å; L952-E974 CarbonylContact C-O 3.5Å; L952-E974 WeakPolarHBondContact CA-O 3.07Å; L952-T975 HydrophobicContact CD2-CG2 4.16Å; L952-C976 VanDerWaalsContact C-SG 3.56Å; L952-C976 PolarHBondContact N-SG 3.45Å
953	R	87.4	Confident	79.3	Confident	81 Å²	81	83.6 Å²	83.6	31%	0.306	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	151.1	165.8	60.7	-176.9	-167.5	-172.8	-5.2	109.8	W941 S942 F973 E974 C976	W941-R953 HydrophobicContact CB-CB 4.37Å; W941-R953 HydrophobicContact CB-CG 4.26Å; W941-R953 HydrophobicContact CD2-CG 3.94Å; W941-R953 HydrophobicContact CE3-CB 4.09Å; W941-R953 HydrophobicContact CE3-CG 3.62Å; W941-R953 HydrophobicContact CG-CG 4.24Å; W941-R953 HydrophobicContact CZ3-CG 4.21Å; W941-R953 VanDerWaalsContact CZ3-O 3.29Å; W941-R953 WeakPolarHBondContact CZ3-O 3.04Å; S942-R953 WeakPolarHBondContact O-CB 3.45Å; R953-F973 WeakPolarHBondContact O-CA 3.35Å; R953-E974 HydrophobicContact CG-CB 3.98Å; R953-E974 IonicContact CZ-OE1 2.76Å; R953-E974 IonicContact CZ-OE2 2.67Å; R953-E974 PolarHBondContact N-O 3.13Å; R953-E974 IonicContact NE-OE2 3.4Å; R953-E974 PolarHBondContact NE-OE2 3.09Å; R953-E974 IonicContact NH2-OE1 3.9Å; R953-E974 PolarHBondContact NH2-OE1 2.94Å; R953-E974 IonicContact NH2-OE2 3.06Å; R953-E974 PolarHBondContact NH2-OE2 2.86Å; R953-E974 PolarHBondContact O-N 3.46Å; R953-C976 HydrophobicContact CG-CB 4.42Å
954	R	88.6	Confident	78.8	Confident	134 Å²	134	84.7 Å²	84.7	51%	0.506	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	149.5	-177.7	61.8	-173	177.9	-174.7	-0.1	111.9	W941 S942 Y956 A972 F973	W941-R954 CarbonylContact C-O 3.51Å; S942-R954 PolarHBondContact N-O 3.23Å; S942-R954 WeakPolarHBondContact OG-CG 3.19Å; S942-R954 PolarHBondContact OG-N 3.39Å; R954-Y956 WeakPolarHBondContact CD-OH 3.41Å; R954-Y956 HydrophobicContact CG-CE2 4.26Å; R954-A972 VanDerWaalsContact CA-O 3.3Å; R954-A972 WeakPolarHBondContact CA-O 3.47Å; R954-F973 HydrophobicContact CB-CD1 4.12Å; R954-F973 HydrophobicContact CB-CE1 4.24Å
955	R	86.9	Confident	77.8	Confident	74 Å²	74	88.8 Å²	88.8	28%	0.279	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.9	172.8	64.7	176	-174	179.1	-0.6	111.4	W938 W941 K971 A972	W938-R955 HydrophobicContact CD2-CG 4.27Å; W938-R955 HydrophobicContact CE3-CB 4.31Å; W938-R955 HydrophobicContact CE3-CG 3.6Å; W938-R955 HydrophobicContact CZ3-CG 4.03Å; W941-R955 HydrophobicContact CD2-CB 4.03Å; W941-R955 HydrophobicContact CD2-CG 3.96Å; W941-R955 HydrophobicContact CE3-CB 3.82Å; W941-R955 HydrophobicContact CE3-CG 3.77Å; W941-R955 HydrophobicContact CH2-CG 3.76Å; W941-R955 HydrophobicContact CZ2-CG 3.95Å; W941-R955 HydrophobicContact CZ3-CB 4.19Å; W941-R955 HydrophobicContact CZ3-CG 3.68Å; R955-K971 WeakPolarHBondContact O-CA 3.44Å; R955-A972 HydrophobicContact CG-CB 3.85Å; R955-A972 PolarHBondContact N-O 3.06Å; R955-A972 PolarHBondContact O-N 3.26Å
956	Y	85.9	Confident	77.3	Confident	106 Å²	106	85.6 Å²	85.6	42%	0.416	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156	-172.8	-58.7	-89.7	0	0	0	112.4	W938 S939 R954 F970 K971	W938-Y956 CarbonylContact C-O 3.55Å; W938-Y956 WeakPolarHBondContact CA-O 3.1Å; W938-Y956 VanDerWaalsContact CE3-C 3.42Å; S939-Y956 PolarHBondContact N-O 2.81Å; S939-Y956 PolarHBondContact OG-N 3.48Å; R954-Y956 WeakPolarHBondContact CD-OH 3.41Å; R954-Y956 HydrophobicContact CG-CE2 4.26Å; Y956-F970 CarbonylContact C-O 3.49Å; Y956-F970 VanDerWaalsContact CA-O 3.31Å; Y956-F970 WeakPolarHBondContact CA-O 3.38Å; Y956-K971 HydrophobicContact CD1-CB 4.29Å; Y956-K971 HydrophobicContact CE1-CB 4.44Å
957	R	82.7	Confident	77.5	Confident	45 Å²	45	82.9 Å²	82.9	17%	0.17	42%	0.422	C	S	.	.			trans	-143.2	158.1	166.4	58.5	175.4	177.9	172.8	5.6	109.7	W935 W938 D969 F970	W935-R957 HydrophobicContact CD2-CG 4.2Å; W935-R957 HydrophobicContact CE3-CB 4.19Å; W935-R957 HydrophobicContact CE3-CG 3.52Å; W935-R957 HydrophobicContact CZ3-CG 3.8Å; W938-R957 HydrophobicContact CD2-CB 4.09Å; W938-R957 HydrophobicContact CD2-CG 4.01Å; W938-R957 HydrophobicContact CE3-CB 3.96Å; W938-R957 HydrophobicContact CE3-CG 3.86Å; W938-R957 HydrophobicContact CH2-CG 3.82Å; W938-R957 HydrophobicContact CZ2-CG 3.98Å; W938-R957 HydrophobicContact CZ3-CB 4.31Å; W938-R957 HydrophobicContact CZ3-CG 3.76Å; R957-D969 VanDerWaalsContact CZ-O 3.23Å; R957-D969 PolarHBondContact NE-O 3.36Å; R957-D969 PolarHBondContact NH2-O 2.89Å; R957-F970 PolarHBondContact N-O 3.42Å; R957-F970 WeakPolarHBondContact O-CB 3.42Å
958	T	77.6	Confident	77.7	Confident	82 Å²	82	79.2 Å²	79.2	50%	0.503	41%	0.411	S	S	.	.			trans	-115.5	138	-177.1	-57.1	0	0	0	0	110.5	W935 T936 L960	W935-T958 WeakPolarHBondContact CA-O 3.46Å; T936-T958 PolarHBondContact N-O 2.95Å; T936-T958 PolarHBondContact OG1-N 3.33Å; T958-L960 HydrophobicContact CG2-CD2 4.3Å
959	C	79.3	Confident	77.7	Confident	43 Å²	43	83.1 Å²	83.1	29%	0.291	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-86.7	125.7	171.4	176.2	0	0	0	0	109.5	W935 G961 C966	W935-C959 HydrophobicContact CE3-CB 4.1Å; W935-C959 HydrophobicContact CH2-CB 4.21Å; W935-C959 HydrophobicContact CZ3-CB 3.85Å; C959-G961 PolarHBondContact SG-O 3.26Å; C959-G961 VanDerWaalsContact SG-O 3.37Å; C959-C966 VanDerWaalsContact CA-SG 3.56Å; C959-C966 HydrophobicContact CB-CB 3.64Å; C959-C966 WeakPolarHBondContact CB-SG 3.38Å; C959-C966 WeakPolarHBondContact SG-CB 3.37Å; C959-C966 CovalentContact SG-SG 2.02Å; C959-C966 PolarHBondContact SG-SG 2.83Å
960	L	66.5	Low	77.9	Confident	67 Å²	67	87.7 Å²	87.7	35%	0.351	45%	0.445	S	S	.	.			trans	-107.3	11.6	179.4	-63.7	173.4	0	0	0	112.5	S900 V930 G934 T936 T958	S900-L960 WeakPolarHBondContact OG-CD2 3.31Å; V930-L960 HydrophobicContact CB-CD1 4.2Å; V930-L960 HydrophobicContact CG1-CB 4.15Å; V930-L960 HydrophobicContact CG1-CD1 3.94Å; V930-L960 HydrophobicContact CG2-CD1 3.29Å; G934-L960 PolarHBondContact O-N 3.29Å; T936-L960 HydrophobicContact CG2-CD1 3.59Å; T936-L960 HydrophobicContact CG2-CG 4.06Å; T958-L960 HydrophobicContact CG2-CD2 4.3Å
961	G	68.5	Low	78.2	Confident	33 Å²	33	88.6 Å²	88.6	34%	0.34	44%	0.442	S	S	.	.	S	Bend	trans	-127	-164.1	176.3	0	0	0	0	0	112.9	C959	C959-G961 PolarHBondContact SG-O 3.26Å; C959-G961 VanDerWaalsContact SG-O 3.37Å
962	T	69.3	Low	78.4	Confident	76 Å²	76	89.4 Å²	89.4	47%	0.466	45%	0.448	S	S	.	.			trans	-73.3	164	174	62.9	0	0	0	0	111.2	E964 M965	T962-E964 PolarHBondContact O-N 3.03Å; T962-M965 WeakPolarHBondContact O-CB 3.42Å; T962-M965 PolarHBondContact O-N 2.94Å
963	R	61.1	Low	78.6	Confident	246 Å²	246	91 Å²	91	93%	0.928	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.9	179.1	-169.5	174.5	179.2	179.2	-1.5	113.1
964	E	72.7	Confident	78.6	Confident	174 Å²	174	90.6 Å²	90.6	81%	0.813	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-30.6	176.1	-63.7	148	175.8	0	0	112.8	T962 C966	T962-E964 PolarHBondContact O-N 3.03Å; E964-C966 VanDerWaalsContact C-N 3.28Å; E964-C966 PolarHBondContact O-N 3.43Å
965	M	64	Low	78.5	Confident	113 Å²	113	89 Å²	89	56%	0.557	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.5	-179.2	-73.6	176.3	139.4	0	0	113.4	N933 T962 P967	N933-M965 CarbonylContact C-O 3.51Å; N933-M965 VanDerWaalsContact C-O 3.31Å; T962-M965 WeakPolarHBondContact O-CB 3.42Å; T962-M965 PolarHBondContact O-N 2.94Å; M965-P967 VanDerWaalsContact C-CD 3.46Å; M965-P967 VanDerWaalsContact O-CD 3.27Å; M965-P967 WeakPolarHBondContact O-CD 3.23Å
966	C	75.4	Confident	78.3	Confident	13 Å²	13	86.3 Å²	86.3	9%	0.088	45%	0.45	C	S	.	.			trans	-122.2	73.8	-169	-65.8	0	0	0	0	112.2	W935 C959 E964	W935-C966 HydrophobicContact CD2-CB 4.13Å; W935-C966 HydrophobicContact CH2-CB 4.23Å; W935-C966 HydrophobicContact CZ2-CB 3.62Å; W935-C966 VanDerWaalsContact CZ2-O 3.27Å; W935-C966 WeakPolarHBondContact CZ2-O 3.39Å; C959-C966 VanDerWaalsContact CA-SG 3.56Å; C959-C966 HydrophobicContact CB-CB 3.64Å; C959-C966 WeakPolarHBondContact CB-SG 3.38Å; C959-C966 WeakPolarHBondContact SG-CB 3.37Å; C959-C966 CovalentContact SG-SG 2.02Å; C959-C966 PolarHBondContact SG-SG 2.83Å; E964-C966 VanDerWaalsContact C-N 3.28Å; E964-C966 PolarHBondContact O-N 3.43Å
967	P	78	Confident	78.1	Confident	93 Å²	93	89.1 Å²	89.1	60%	0.604	47%	0.467	S	S	*	.			trans	-67.8	136.3	175.8	25.6	-32	0	0	0	111.9	W935 M965	W935-P967 PolarHBondContact NE1-O 3.16Å; M965-P967 VanDerWaalsContact C-CD 3.46Å; M965-P967 VanDerWaalsContact O-CD 3.27Å; M965-P967 WeakPolarHBondContact O-CD 3.23Å
968	G	78.5	Confident	77.9	Confident	58 Å²	58	90.6 Å²	90.6	60%	0.598	48%	0.477	S	S	*	.	S	Bend	trans	99.2	-176	175.6	0	0	0	0	0	115.5	W935	W935-G968 VanDerWaalsContact CZ2-O 3.23Å; W935-G968 WeakPolarHBondContact CZ2-O 3.38Å
969	D	81.2	Confident	77.8	Confident	114 Å²	114	97.6 Å²	97.6	61%	0.61	49%	0.494	S	S	*	.			trans	-85.2	146.3	-173.1	-71.2	-42.8	0	0	0	113.7	W938 R957 K971	W938-D969 WeakPolarHBondContact CH2-O 3.32Å; R957-D969 VanDerWaalsContact CZ-O 3.23Å; R957-D969 PolarHBondContact NE-O 3.36Å; R957-D969 PolarHBondContact NH2-O 2.89Å; D969-K971 VanDerWaalsContact C-N 3.28Å; D969-K971 WeakPolarHBondContact CB-O 3.49Å
970	F	83.6	Confident	77.4	Confident	115 Å²	115	102.5 Å²	102.5	50%	0.504	52%	0.518	S	S	.	.	S	Bend	trans	-81	-6.5	173.8	72.1	-87.7	0	0	0	113.5	W935 Y956 R957	W935-F970 HydrophobicContact CH2-CB 3.96Å; W935-F970 HydrophobicContact CZ3-CB 3.86Å; Y956-F970 CarbonylContact C-O 3.49Å; Y956-F970 VanDerWaalsContact CA-O 3.31Å; Y956-F970 WeakPolarHBondContact CA-O 3.38Å; R957-F970 PolarHBondContact N-O 3.42Å; R957-F970 WeakPolarHBondContact O-CB 3.42Å
971	K	86.8	Confident	77.1	Confident	97 Å²	97	102 Å²	102	42%	0.422	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.8	-177.5	63.6	-179.8	-178	178.7	0	110.2	R955 Y956 D969 F973	R955-K971 WeakPolarHBondContact O-CA 3.44Å; Y956-K971 HydrophobicContact CD1-CB 4.29Å; Y956-K971 HydrophobicContact CE1-CB 4.44Å; D969-K971 VanDerWaalsContact C-N 3.28Å; D969-K971 WeakPolarHBondContact CB-O 3.49Å; K971-F973 HydrophobicContact CD-CE2 4.07Å; K971-F973 HydrophobicContact CD-CZ 4.23Å; K971-F973 HydrophobicContact CG-CE2 4.26Å
972	A	87.2	Confident	76.8	Confident	22 Å²	22	106 Å²	106	18%	0.182	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	150	174	0	0	0	0	0	111	W938 W941 R954 R955	W938-A972 HydrophobicContact CH2-CB 3.66Å; W938-A972 HydrophobicContact CZ2-CB 4.27Å; W938-A972 HydrophobicContact CZ3-CB 3.8Å; W941-A972 HydrophobicContact CH2-CB 4.07Å; W941-A972 WeakPolarHBondContact CZ3-O 3.48Å; R954-A972 VanDerWaalsContact CA-O 3.3Å; R954-A972 WeakPolarHBondContact CA-O 3.47Å; R955-A972 HydrophobicContact CG-CB 3.85Å; R955-A972 PolarHBondContact N-O 3.06Å; R955-A972 PolarHBondContact O-N 3.26Å
973	F	88.8	Confident	75.7	Confident	126 Å²	126	111.4 Å²	111.4	55%	0.553	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.7	147.4	179.4	-59.3	-88.1	0	0	0	110.1	R953 R954 K971	R953-F973 WeakPolarHBondContact O-CA 3.35Å; R954-F973 HydrophobicContact CB-CD1 4.12Å; R954-F973 HydrophobicContact CB-CE1 4.24Å; K971-F973 HydrophobicContact CD-CE2 4.07Å; K971-F973 HydrophobicContact CD-CZ 4.23Å; K971-F973 HydrophobicContact CG-CE2 4.26Å
974	E	87.5	Confident	74.8	Confident	71 Å²	71	106.2 Å²	106.2	33%	0.332	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146	142	175.1	-172.9	-177.9	-174	0	0	109.8	W941 L952 R953	W941-E974 HydrophobicContact CE3-CB 4.4Å; W941-E974 HydrophobicContact CH2-CB 3.45Å; W941-E974 VanDerWaalsContact CH2-CB 3.45Å; W941-E974 HydrophobicContact CZ2-CB 3.81Å; W941-E974 WeakPolarHBondContact CZ2-OE2 3.43Å; W941-E974 HydrophobicContact CZ3-CB 3.76Å; W941-E974 PolarHBondContact NE1-OE2 3.43Å; L952-E974 CarbonylContact C-O 3.5Å; L952-E974 WeakPolarHBondContact CA-O 3.07Å; R953-E974 HydrophobicContact CG-CB 3.98Å; R953-E974 IonicContact CZ-OE1 2.76Å; R953-E974 IonicContact CZ-OE2 2.67Å; R953-E974 PolarHBondContact N-O 3.13Å; R953-E974 IonicContact NE-OE2 3.4Å; R953-E974 PolarHBondContact NE-OE2 3.09Å; R953-E974 IonicContact NH2-OE1 3.9Å; R953-E974 PolarHBondContact NH2-OE1 2.94Å; R953-E974 IonicContact NH2-OE2 3.06Å; R953-E974 PolarHBondContact NH2-OE2 2.86Å; R953-E974 PolarHBondContact O-N 3.46Å
975	T	86.7	Confident	73	Confident	102 Å²	102	101.4 Å²	101.4	63%	0.626	55%	0.552	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.6	135.2	172.5	44.3	0	0	0	0	110	G951 L952	G951-T975 WeakPolarHBondContact O-CA 3.41Å; L952-T975 HydrophobicContact CD2-CG2 4.16Å
976	C	82.7	Confident	71.5	Confident	16 Å²	16	101.1 Å²	101.1	11%	0.108	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.2	135.5	174.8	44.5	0	0	0	0	109.1	C944 G951 L952 R953	C944-C976 WeakPolarHBondContact CA-SG 2.93Å; C944-C976 HydrophobicContact CB-CB 3.92Å; C944-C976 WeakPolarHBondContact CB-SG 3.47Å; C944-C976 WeakPolarHBondContact SG-CB 3.46Å; C944-C976 CovalentContact SG-SG 2.03Å; C944-C976 PolarHBondContact SG-SG 3Å; G951-C976 PolarHBondContact N-O 3.27Å; G951-C976 PolarHBondContact O-N 3.03Å; G951-C976 PolarHBondContact O-SG 2.97Å; L952-C976 VanDerWaalsContact C-SG 3.56Å; L952-C976 PolarHBondContact N-SG 3.45Å; R953-C976 HydrophobicContact CG-CB 4.42Å
977	Q	82.3	Confident	69.3	Low	165 Å²	165	108.4 Å²	108.4	77%	0.771	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.8	107.8	-178.4	-166.5	164.3	-9.5	0	0	109
978	M	77.2	Confident	67.2	Low	77 Å²	77	111.7 Å²	111.7	38%	0.379	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-87.1	169.2	173.2	-61.1	-65.4	-83.1	0	0	109.7	C944 R946 G949	C944-M978 HydrophobicContact CB-CG 4.21Å; C944-M978 HydrophobicContact CB-SD 4.09Å; R946-M978 WeakPolarHBondContact O-CG 3.46Å; G949-M978 WeakPolarHBondContact O-CB 3.28Å; G949-M978 PolarHBondContact O-N 3.23Å
979	R	75.6	Confident	64.8	Low	228 Å²	228	117.2 Å²	117.2	86%	0.86	61%	0.607	S	S	*	*	S	Bend	trans	-54.5	149.8	173	-67.5	-177.5	179.8	-179	-0.8	110.6	C948 G949 C981	C948-R979 CarbonylContact C-O 3.59Å; C948-R979 VanDerWaalsContact CA-O 3.29Å; C948-R979 WeakPolarHBondContact CA-O 3.26Å; C948-R979 WeakPolarHBondContact CB-O 3.32Å; G949-R979 PolarHBondContact N-O 3.27Å; R979-C981 PolarHBondContact O-N 2.67Å
980	D	72	Confident	62.4	Low	146 Å²	146	118.8 Å²	118.8	78%	0.781	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-54.1	134.2	179	-67.8	-43.7	0	0	0	111
981	C	60.2	Low	59.7	Low	57 Å²	57	122.6 Å²	122.6	39%	0.385	63%	0.63	S	S	.	*	P	Polyproline II helix	trans	-64.6	128.8	176.5	-63.9	0	0	0	0	108.9	C948 R979 Q983	C948-C981 HydrophobicContact CB-CB 3.81Å; C948-C981 WeakPolarHBondContact CB-SG 3.43Å; C948-C981 VanDerWaalsContact SG-CA 3.53Å; C948-C981 WeakPolarHBondContact SG-CB 3.02Å; C948-C981 CovalentContact SG-SG 2.03Å; C948-C981 PolarHBondContact SG-SG 2.79Å; R979-C981 PolarHBondContact O-N 2.67Å; C981-Q983 PolarHBondContact O-N 2.97Å; C981-Q983 VanDerWaalsContact O-N 3.13Å
982	P	61.4	Low	57.1	Low	118 Å²	118	123.2 Å²	123.2	77%	0.766	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-58	121.7	175.2	21.1	-29.6	0	0	0	109.7	T984	P982-T984 PolarHBondContact O-N 3.19Å
983	Q	46.2	Very low	54.3	Low	188 Å²	188	129.7 Å²	129.7	88%	0.879	67%	0.674	S	S	*	*			trans	-86	100.4	-178.1	-69.4	-134	5.4	0	0	110.8	C981	C981-Q983 PolarHBondContact O-N 2.97Å; C981-Q983 VanDerWaalsContact O-N 3.13Å
984	T	42.3	Very low	51.7	Low	138 Å²	138	130.4 Å²	130.4	85%	0.847	68%	0.683	S	S	*	*			trans	-164.5	94.6	158	48.7	0	0	0	0	107.2	P982	P982-T984 PolarHBondContact O-N 3.19Å
985	G	34.5	Very low	49.1	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	71%	0.706	S	S	*	*				122	148.7	87.3	0	0	0	0	0	108.7
986	P	32.8	Very low	46.6	Very low	108 Å²	108	132.5 Å²	132.5	70%	0.701	70%	0.704	S	S	*	*			trans	-90.8	-178.1	-151.7	11.7	7.6	0	0	0	114.3
987	F	29.5	Very low	44.3	Very low	165 Å²	165	140 Å²	140	72%	0.724	74%	0.743	S	S	*	*			trans	99.4	97	165.1	-58.7	-78.7	0	0	0	116
988	Q	33.1	Very low	42.2	Very low	163 Å²	163	135.6 Å²	135.6	76%	0.762	74%	0.742	S	S	*	*				87.9	106.6	79.9	-84.4	-175.3	-6.8	0	0	112.7
989	H	29.1	Very low	40.3	Very low	174 Å²	174	140.9 Å²	140.9	81%	0.806	77%	0.766	S	S	*	*			trans	26.6	128.7	130.6	-90.5	-77.5	0	0	0	119.3
990	I	30.7	Very low	38.7	Very low	147 Å²	147	134.6 Å²	134.6	75%	0.754	75%	0.754	S	S	*	*			trans	114.3	112.9	141	-62.1	147.3	0	0	0	117.5
991	K	27.7	Very low	37	Very low	195 Å²	195	136.6 Å²	136.6	85%	0.848	76%	0.759	S	S	*	*			trans	57.6	149.7	141.5	-73.1	178.3	177	178.5	0	122.6
992	P	31.1	Very low	36	Very low	109 Å²	109	139.3 Å²	139.3	71%	0.708	78%	0.779	S	S	*	*			trans	-98.6	169.4	-170.1	39.2	-31.8	0	0	0	114.9
993	L	28.6	Very low	35.3	Very low	158 Å²	158	137 Å²	137	83%	0.827	77%	0.769	S	S	*	*			trans	80.1	122.1	167.2	-77.3	128.9	0	0	0	117.7
994	I	35.2	Very low	35.5	Very low	142 Å²	142	132.2 Å²	132.2	73%	0.728	76%	0.762	S	S	*	*				169.3	116.9	104.5	-79.7	178.6	0	0	0	110.3
995	I	32.1	Very low	36.4	Very low	159 Å²	159	127.6 Å²	127.6	82%	0.815	73%	0.732	S	S	*	*			trans	46.4	126.6	135.1	-48.1	173.6	0	0	0	120.7
996	G	33.5	Very low	38	Very low	58 Å²	58	130.9 Å²	130.9	60%	0.598	73%	0.728	S	S	*	*				151.9	105.8	127.2	0	0	0	0	0	119.3
997	N	35.9	Very low	40	Very low	173 Å²	173	130.6 Å²	130.6	93%	0.925	71%	0.714	S	S	*	*			trans	92	113.5	139.2	-55.1	-18.5	0	0	0	120.4
998	G	37.1	Very low	42.3	Very low	73 Å²	73	125.5 Å²	125.5	75%	0.753	70%	0.699	S	S	*	*			trans	158.7	63.1	155.2	0	0	0	0	0	118.9
999	H	37.6	Very low	44.6	Very low	188 Å²	188	123 Å²	123	87%	0.87	68%	0.682	S	S	*	*			trans	69.2	156.5	147.6	-96.3	-44.9	0	0	0	120.9
1000	P	42	Very low	47.2	Very low	96 Å²	96	116.3 Å²	116.3	62%	0.623	66%	0.655	S	S	*	*				-118.9	152.1	-93.7	34.9	-18.8	0	0	0	116.3
1001	Q	35.5	Very low	49.8	Very low	188 Å²	188	117.5 Å²	117.5	88%	0.879	66%	0.658	S	S	*	*			trans	68.5	80.7	142.5	-65.3	172.3	21.3	0	0	120
1002	S	40.5	Very low	52.6	Low	114 Å²	114	111.2 Å²	111.2	80%	0.797	63%	0.628	S	S	*	*			trans	-146.1	117	132.5	67.3	0	0	0	0	108.8	A1004	S1002-A1004 PolarHBondContact O-N 3.2Å
1003	A	45.9	Very low	55.2	Low	68 Å²	68	108.2 Å²	108.2	56%	0.562	61%	0.61	S	S	*	*			trans	-61.6	103.6	-174.6	0	0	0	0	0	111.6	P1033	A1003-P1033 HydrophobicContact CB-CG 3.66Å
1004	A	51.5	Low	58	Low	89 Å²	89	109 Å²	109	74%	0.736	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-80.3	136.5	176.2	0	0	0	0	0	110.7	S1002	S1002-A1004 PolarHBondContact O-N 3.2Å
1005	N	59.7	Low	60.4	Low	41 Å²	41	104.2 Å²	104.2	22%	0.219	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-72.7	130.9	170.9	-68	-29.5	0	0	0	110.1	Y1007 N1034	N1005-Y1007 HydrophobicContact CB-CE2 3.9Å; N1005-N1034 PolarHBondContact ND2-O 3.48Å; N1005-N1034 PolarHBondContact OD1-N 3Å
1006	E	69.2	Low	62.6	Low	141 Å²	141	102 Å²	102	66%	0.659	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.4	133.3	174.8	-162.8	178.2	-157.7	0	0	110.1	C1030 R1031	E1006-C1030 CarbonylContact O-C 3.6Å; E1006-C1030 WeakPolarHBondContact O-CA 3.21Å; E1006-R1031 PolarHBondContact N-O 3.19Å; E1006-R1031 PolarHBondContact O-N 3.43Å
1007	Y	74.2	Confident	64.6	Low	101 Å²	101	101.2 Å²	101.2	40%	0.396	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.3	130.6	-178.1	-63.1	-81.6	0	0	0	111.2	N1005 R1028 L1029 C1030	N1005-Y1007 HydrophobicContact CB-CE2 3.9Å; Y1007-R1028 HydrophobicContact CD1-CG 4.43Å; Y1007-L1029 WeakPolarHBondContact CA-O 3.32Å; Y1007-C1030 HydrophobicContact CD1-CB 3.76Å; Y1007-C1030 HydrophobicContact CE1-CB 3.63Å; Y1007-C1030 WeakPolarHBondContact CE1-SG 3.37Å
1008	S	78.7	Confident	66.2	Low	58 Å²	58	102.6 Å²	102.6	41%	0.406	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.7	154.8	174.6	63.6	0	0	0	0	111.5	R1028 L1029	S1008-R1028 CarbonylContact O-C 3.43Å; S1008-R1028 WeakPolarHBondContact O-CA 3.46Å; S1008-L1029 PolarHBondContact N-O 2.86Å; S1008-L1029 PolarHBondContact O-N 3.42Å
1009	W	80.9	Confident	68.1	Low	111 Å²	111	101.6 Å²	101.6	42%	0.42	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.1	176.4	-73.1	104.5	0	0	0	111	R1026 I1027 R1028 E1042	W1009-R1026 HydrophobicContact CE3-CG 3.84Å; W1009-R1026 HydrophobicContact CZ3-CG 4.27Å; W1009-I1027 CarbonylContact C-O 3.54Å; W1009-R1028 HydrophobicContact CD2-CB 4.38Å; W1009-R1028 HydrophobicContact CD2-CG 4.36Å; W1009-R1028 HydrophobicContact CE3-CB 3.97Å; W1009-R1028 HydrophobicContact CE3-CG 4.45Å; W1009-R1028 HydrophobicContact CH2-CB 4.03Å; W1009-R1028 HydrophobicContact CH2-CG 4.45Å; W1009-R1028 HydrophobicContact CZ2-CB 4.41Å; W1009-R1028 HydrophobicContact CZ2-CG 4.34Å; W1009-R1028 HydrophobicContact CZ3-CB 3.79Å; W1009-R1028 HydrophobicContact CZ3-CG 4.5Å; W1009-E1042 HydrophobicContact CH2-CB 3.9Å; W1009-E1042 HydrophobicContact CZ3-CB 3.74Å
1010	S	83.9	Confident	69.7	Low	33 Å²	33	94 Å²	94	23%	0.231	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-66.8	165.6	166.6	78.1	0	0	0	0	111.2	R1026 I1027	S1010-R1026 WeakPolarHBondContact OG-CA 3.41Å; S1010-R1026 WeakPolarHBondContact OG-CB 3.32Å; S1010-I1027 PolarHBondContact N-O 3.32Å; S1010-I1027 PolarHBondContact OG-N 3.02Å
1011	Q	85.1	Confident	71	Confident	173 Å²	173	94.2 Å²	94.2	81%	0.808	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-58.9	154.6	163.9	-64.5	-62.3	-33.3	0	0	110.6
1012	W	87	Confident	73.3	Confident	62 Å²	62	85.3 Å²	85.3	24%	0.235	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-68.3	140.6	171.1	-72.1	102.6	0	0	0	110.6	R1024 K1025 R1026 E1042 Q1044	W1012-R1024 HydrophobicContact CD2-CG 4.16Å; W1012-R1024 HydrophobicContact CE3-CB 4.16Å; W1012-R1024 HydrophobicContact CE3-CG 3.6Å; W1012-R1024 HydrophobicContact CZ3-CG 4.14Å; W1012-R1024 WeakPolarHBondContact CZ3-O 3.37Å; W1012-K1025 CarbonylContact C-O 3.53Å; W1012-R1026 HydrophobicContact CD2-CB 4.27Å; W1012-R1026 HydrophobicContact CD2-CG 4.14Å; W1012-R1026 HydrophobicContact CE3-CB 4.08Å; W1012-R1026 HydrophobicContact CE3-CG 3.96Å; W1012-R1026 HydrophobicContact CH2-CG 3.98Å; W1012-R1026 HydrophobicContact CZ2-CG 4.16Å; W1012-R1026 HydrophobicContact CZ3-CB 4.43Å; W1012-R1026 HydrophobicContact CZ3-CG 3.88Å; W1012-E1042 HydrophobicContact CH2-CG 3.94Å; W1012-Q1044 HydrophobicContact CE3-CB 4.38Å; W1012-Q1044 HydrophobicContact CH2-CB 3.43Å; W1012-Q1044 VanDerWaalsContact CH2-CB 3.43Å; W1012-Q1044 HydrophobicContact CH2-CG 4.46Å; W1012-Q1044 HydrophobicContact CZ2-CB 4.13Å; W1012-Q1044 VanDerWaalsContact CZ2-OE1 3.27Å; W1012-Q1044 HydrophobicContact CZ3-CB 3.57Å
1013	S	85.9	Confident	75.1	Confident	46 Å²	46	83.4 Å²	83.4	32%	0.322	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-64.9	164.8	167.6	76.5	0	0	0	0	111	R1024 K1025	S1013-R1024 VanDerWaalsContact O-CB 3.26Å; S1013-R1024 WeakPolarHBondContact O-CB 3.41Å; S1013-R1024 WeakPolarHBondContact OG-CA 3.21Å; S1013-K1025 PolarHBondContact N-O 2.89Å; S1013-K1025 PolarHBondContact OG-N 2.79Å
1014	H	86.6	Confident	77.2	Confident	175 Å²	175	84 Å²	84	81%	0.81	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-56.1	154.3	164.6	-65.3	88.9	0	0	0	110.9	I1016	H1014-I1016 PolarHBondContact O-N 3.22Å
1015	C	85.2	Confident	78.8	Confident	42 Å²	42	85.2 Å²	85.2	28%	0.284	44%	0.437	S	S	.	.			trans	-70	114	176.7	-166.4	0	0	0	0	109.9	G1022 C1046 L1048	C1015-G1022 VanDerWaalsContact SG-CA 3.58Å; C1015-C1046 WeakPolarHBondContact CA-SG 3.45Å; C1015-C1046 HydrophobicContact CB-CB 3.89Å; C1015-C1046 WeakPolarHBondContact CB-SG 3.37Å; C1015-C1046 WeakPolarHBondContact SG-CB 3.39Å; C1015-C1046 CovalentContact SG-SG 2.01Å; C1015-C1046 PolarHBondContact SG-SG 2.03Å; C1015-L1048 HydrophobicContact CB-CD2 4.08Å
1016	I	79.9	Confident	80.2	Confident	113 Å²	113	86.1 Å²	86.1	58%	0.579	44%	0.437	S	S	*	.	B	Isolated β-bridge	trans	-96.5	116.6	-178.4	-56.5	172.1	0	0	0	109.1	H1014 G1022 I1023	H1014-I1016 PolarHBondContact O-N 3.22Å; I1016-G1022 CarbonylContact O-C 3.6Å; I1016-G1022 WeakPolarHBondContact O-CA 3.5Å; I1016-I1023 WeakPolarHBondContact CB-O 2.96Å; I1016-I1023 PolarHBondContact N-O 3.32Å; I1016-I1023 PolarHBondContact O-N 3.31Å
1017	G	74.5	Confident	80.8	Confident	41 Å²	41	82.7 Å²	82.7	42%	0.423	42%	0.423	S	S	.	.	S	Bend	trans	170.7	166.6	174	0	0	0	0	0	111.2	L1048	G1017-L1048 VanDerWaalsContact CA-CD1 3.42Å; G1017-L1048 VanDerWaalsContact O-CD1 3.25Å; G1017-L1048 WeakPolarHBondContact O-CD1 2.95Å
1018	H	70.1	Confident	81.1	Confident	202 Å²	202	81.6 Å²	81.6	94%	0.935	42%	0.418	S	S	*	.	S	Bend	trans	-87.5	-40.7	-175.2	-85.6	-73.2	0	0	0	114.3
1019	C	76.3	Confident	81.1	Confident	52 Å²	52	82.5 Å²	82.5	35%	0.351	42%	0.417	S	S	.	.	S	Bend	trans	-168.4	163.5	173.9	57.2	0	0	0	0	108.7	T1021 C1051	C1019-T1021 PolarHBondContact O-N 2.02Å; C1019-C1051 HydrophobicContact CB-CB 3.85Å; C1019-C1051 WeakPolarHBondContact CB-SG 3.37Å; C1019-C1051 VanDerWaalsContact SG-CA 3.6Å; C1019-C1051 WeakPolarHBondContact SG-CB 3.36Å; C1019-C1051 CovalentContact SG-SG 2.02Å; C1019-C1051 PolarHBondContact SG-SG 3.23Å
1020	G	71.9	Confident	80.8	Confident	27 Å²	27	79 Å²	79	28%	0.278	41%	0.41	S	S	.	.	S	Bend	trans	74.3	-88.4	-179.4	0	0	0	0	0	113.6	L1048 L1049	G1020-L1048 PolarHBondContact O-N 3.22Å; G1020-L1049 PolarHBondContact N-O 2.98Å
1021	T	69.5	Low	80.3	Confident	102 Å²	102	86.3 Å²	86.3	63%	0.626	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	126.2	-177.2	50.9	0	0	0	0	111	C1019	C1019-T1021 PolarHBondContact O-N 2.02Å
1022	G	82.8	Confident	79.6	Confident	1 Å²	1	79.8 Å²	79.8	1%	0.01	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	178.8	172	0	0	0	0	0	112.5	C1015 I1016 Y1045 C1046	C1015-G1022 VanDerWaalsContact SG-CA 3.58Å; I1016-G1022 CarbonylContact O-C 3.6Å; I1016-G1022 WeakPolarHBondContact O-CA 3.5Å; G1022-Y1045 WeakPolarHBondContact O-CA 3.03Å; G1022-C1046 PolarHBondContact N-O 3.02Å; G1022-C1046 PolarHBondContact O-N 2.82Å; G1022-C1046 PolarHBondContact O-SG 2.94Å; G1022-C1046 VanDerWaalsContact O-SG 3.37Å
1023	I	78.9	Confident	78.7	Confident	74 Å²	74	81.6 Å²	81.6	38%	0.379	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	131.2	179.9	-59.8	173.9	0	0	0	109.2	I1016 K1025	I1016-I1023 WeakPolarHBondContact CB-O 2.96Å; I1016-I1023 PolarHBondContact N-O 3.32Å; I1016-I1023 PolarHBondContact O-N 3.31Å; I1023-K1025 HydrophobicContact CG2-CG 4.45Å
1024	R	89.5	Confident	77.8	Confident	80 Å²	80	85 Å²	85	30%	0.302	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148	167.4	60	178.9	-164.8	-177.4	-0.1	110.8	W1012 S1013 S1043 Q1044 C1046	W1012-R1024 HydrophobicContact CD2-CG 4.16Å; W1012-R1024 HydrophobicContact CE3-CB 4.16Å; W1012-R1024 HydrophobicContact CE3-CG 3.6Å; W1012-R1024 HydrophobicContact CZ3-CG 4.14Å; W1012-R1024 WeakPolarHBondContact CZ3-O 3.37Å; S1013-R1024 VanDerWaalsContact O-CB 3.26Å; S1013-R1024 WeakPolarHBondContact O-CB 3.41Å; S1013-R1024 WeakPolarHBondContact OG-CA 3.21Å; R1024-S1043 CarbonylContact O-C 3.47Å; R1024-S1043 WeakPolarHBondContact O-CA 3.5Å; R1024-Q1044 HydrophobicContact CG-CB 4.14Å; R1024-Q1044 WeakPolarHBondContact CG-O 3.46Å; R1024-Q1044 VanDerWaalsContact CZ-OE1 3.31Å; R1024-Q1044 PolarHBondContact N-O 3.32Å; R1024-Q1044 VanDerWaalsContact NE-OE1 3.1Å; R1024-Q1044 PolarHBondContact O-N 3.44Å; R1024-C1046 HydrophobicContact CG-CB 4.43Å
1025	K	85.5	Confident	76.7	Confident	115 Å²	115	78.7 Å²	78.7	50%	0.5	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.5	-176	-61.2	-174.7	176.7	177.3	0	111.8	W1012 S1013 I1023 E1042	W1012-K1025 CarbonylContact C-O 3.53Å; S1013-K1025 PolarHBondContact N-O 2.89Å; S1013-K1025 PolarHBondContact OG-N 2.79Å; I1023-K1025 HydrophobicContact CG2-CG 4.45Å; K1025-E1042 CarbonylContact C-O 3.58Å; K1025-E1042 VanDerWaalsContact CA-O 3.25Å; K1025-E1042 WeakPolarHBondContact CA-O 3.39Å
1026	R	88.8	Confident	75.7	Confident	59 Å²	59	80.3 Å²	80.3	22%	0.223	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	159.1	166.5	64.9	177	-177.6	-171.1	-6.2	110.5	W1009 S1010 W1012 S1041 E1042	W1009-R1026 HydrophobicContact CE3-CG 3.84Å; W1009-R1026 HydrophobicContact CZ3-CG 4.27Å; S1010-R1026 WeakPolarHBondContact OG-CA 3.41Å; S1010-R1026 WeakPolarHBondContact OG-CB 3.32Å; W1012-R1026 HydrophobicContact CD2-CB 4.27Å; W1012-R1026 HydrophobicContact CD2-CG 4.14Å; W1012-R1026 HydrophobicContact CE3-CB 4.08Å; W1012-R1026 HydrophobicContact CE3-CG 3.96Å; W1012-R1026 HydrophobicContact CH2-CG 3.98Å; W1012-R1026 HydrophobicContact CZ2-CG 4.16Å; W1012-R1026 HydrophobicContact CZ3-CB 4.43Å; W1012-R1026 HydrophobicContact CZ3-CG 3.88Å; R1026-S1041 CarbonylContact O-C 3.55Å; R1026-S1041 WeakPolarHBondContact O-CA 3.11Å; R1026-E1042 HydrophobicContact CG-CB 3.95Å; R1026-E1042 IonicContact CZ-OE1 2.57Å; R1026-E1042 IonicContact CZ-OE2 3Å; R1026-E1042 PolarHBondContact N-O 2.78Å; R1026-E1042 IonicContact NE-OE1 3.9Å; R1026-E1042 IonicContact NE-OE2 2.67Å; R1026-E1042 PolarHBondContact NE-OE2 2.92Å; R1026-E1042 IonicContact NH2-OE1 2.88Å; R1026-E1042 PolarHBondContact NH2-OE1 3.32Å; R1026-E1042 IonicContact NH2-OE2 3.31Å; R1026-E1042 PolarHBondContact NH2-OE2 3.31Å; R1026-E1042 PolarHBondContact O-N 2.8Å
1027	I	81.6	Confident	74.7	Confident	69 Å²	69	79.8 Å²	79.8	35%	0.354	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.3	-178	58.2	171.1	0	0	0	111.5	W1009 S1010 L1029 V1039 L1040	W1009-I1027 CarbonylContact C-O 3.54Å; S1010-I1027 PolarHBondContact N-O 3.32Å; S1010-I1027 PolarHBondContact OG-N 3.02Å; I1027-L1029 HydrophobicContact CD1-CD2 3.93Å; I1027-L1029 HydrophobicContact CG1-CD2 4.27Å; I1027-V1039 HydrophobicContact CB-CG1 3.73Å; I1027-V1039 HydrophobicContact CD1-CG1 4.37Å; I1027-V1039 HydrophobicContact CG2-CG1 3.88Å; I1027-L1040 CarbonylContact C-O 3.52Å; I1027-L1040 WeakPolarHBondContact CA-O 3.16Å
1028	R	81.3	Confident	73.7	Confident	79 Å²	79	84.3 Å²	84.3	30%	0.298	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	109.9	174.5	-157	174.8	102.1	178.6	5.9	108.7	Y1007 S1008 W1009 L1040	Y1007-R1028 HydrophobicContact CD1-CG 4.43Å; S1008-R1028 CarbonylContact O-C 3.43Å; S1008-R1028 WeakPolarHBondContact O-CA 3.46Å; W1009-R1028 HydrophobicContact CD2-CB 4.38Å; W1009-R1028 HydrophobicContact CD2-CG 4.36Å; W1009-R1028 HydrophobicContact CE3-CB 3.97Å; W1009-R1028 HydrophobicContact CE3-CG 4.45Å; W1009-R1028 HydrophobicContact CH2-CB 4.03Å; W1009-R1028 HydrophobicContact CH2-CG 4.45Å; W1009-R1028 HydrophobicContact CZ2-CB 4.41Å; W1009-R1028 HydrophobicContact CZ2-CG 4.34Å; W1009-R1028 HydrophobicContact CZ3-CB 3.79Å; W1009-R1028 HydrophobicContact CZ3-CG 4.5Å; R1028-L1040 HydrophobicContact CB-CB 3.85Å; R1028-L1040 PolarHBondContact N-O 2.88Å; R1028-L1040 VanDerWaalsContact NH1-CD1 3.29Å
1029	L	77.1	Confident	73.2	Confident	76 Å²	76	79.3 Å²	79.3	40%	0.398	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	133.3	173.9	-58.5	170.9	0	0	0	108.5	Y1007 S1008 I1027	Y1007-L1029 WeakPolarHBondContact CA-O 3.32Å; S1008-L1029 PolarHBondContact N-O 2.86Å; S1008-L1029 PolarHBondContact O-N 3.42Å; I1027-L1029 HydrophobicContact CD1-CD2 3.93Å; I1027-L1029 HydrophobicContact CG1-CD2 4.27Å
1030	C	76.4	Confident	72.4	Confident	39 Å²	39	81 Å²	81	26%	0.264	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	131.5	172.6	-178.6	0	0	0	0	108.5	E1006 Y1007 C1035	E1006-C1030 CarbonylContact O-C 3.6Å; E1006-C1030 WeakPolarHBondContact O-CA 3.21Å; Y1007-C1030 HydrophobicContact CD1-CB 3.76Å; Y1007-C1030 HydrophobicContact CE1-CB 3.63Å; Y1007-C1030 WeakPolarHBondContact CE1-SG 3.37Å; C1030-C1035 HydrophobicContact CB-CB 3.71Å; C1030-C1035 WeakPolarHBondContact CB-SG 3.31Å; C1030-C1035 PolarHBondContact O-SG 2.89Å; C1030-C1035 WeakPolarHBondContact SG-CA 3.37Å; C1030-C1035 WeakPolarHBondContact SG-CB 3.25Å; C1030-C1035 CovalentContact SG-SG 2.04Å; C1030-C1035 PolarHBondContact SG-SG 3.11Å
1031	R	72.9	Confident	72.6	Confident	186 Å²	186	83.8 Å²	83.8	70%	0.702	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.3	170.8	-72.3	-176.6	176.4	171.7	-2.1	109	E1006 C1035	E1006-R1031 PolarHBondContact N-O 3.19Å; E1006-R1031 PolarHBondContact O-N 3.43Å; R1031-C1035 VanDerWaalsContact C-SG 3.54Å; R1031-C1035 PolarHBondContact N-SG 3.09Å; R1031-C1035 VanDerWaalsContact N-SG 3.44Å
1032	G	70.6	Confident	73	Confident	36 Å²	36	82 Å²	82	37%	0.371	45%	0.446	S	S	.	.	S	Bend	trans	157.9	159.1	-178.1	0	0	0	0	0	112	N1034 C1035	G1032-N1034 PolarHBondContact O-N 2.89Å; G1032-C1035 PolarHBondContact N-SG 3.18Å; G1032-C1035 PolarHBondContact O-N 3.3Å; G1032-C1035 PolarHBondContact O-SG 2.91Å; G1032-C1035 VanDerWaalsContact O-SG 3.33Å
1033	P	68.2	Low	73.1	Confident	100 Å²	100	85.2 Å²	85.2	65%	0.649	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.4	-175.2	26.1	-33	0	0	0	113.7	A1003	A1003-P1033 HydrophobicContact CB-CG 3.66Å
1034	N	65.4	Low	73.2	Confident	116 Å²	116	85.7 Å²	85.7	62%	0.62	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	29.4	-177.8	-67.2	-38	0	0	0	112.3	N1005 G1032 P1036	N1005-N1034 PolarHBondContact ND2-O 3.48Å; N1005-N1034 PolarHBondContact OD1-N 3Å; G1032-N1034 PolarHBondContact O-N 2.89Å; N1034-P1036 WeakPolarHBondContact O-CD 3.41Å
1035	C	63.8	Low	72.8	Confident	44 Å²	44	90.9 Å²	90.9	30%	0.297	49%	0.49	S	S	.	.			trans	-72.3	118	179.4	-75.6	0	0	0	0	111.4	C1030 R1031 G1032	C1030-C1035 HydrophobicContact CB-CB 3.71Å; C1030-C1035 WeakPolarHBondContact CB-SG 3.31Å; C1030-C1035 PolarHBondContact O-SG 2.89Å; C1030-C1035 WeakPolarHBondContact SG-CA 3.37Å; C1030-C1035 WeakPolarHBondContact SG-CB 3.25Å; C1030-C1035 CovalentContact SG-SG 2.04Å; C1030-C1035 PolarHBondContact SG-SG 3.11Å; R1031-C1035 VanDerWaalsContact C-SG 3.54Å; R1031-C1035 PolarHBondContact N-SG 3.09Å; R1031-C1035 VanDerWaalsContact N-SG 3.44Å; G1032-C1035 PolarHBondContact N-SG 3.18Å; G1032-C1035 PolarHBondContact O-N 3.3Å; G1032-C1035 PolarHBondContact O-SG 2.91Å; G1032-C1035 VanDerWaalsContact O-SG 3.33Å
1036	P	64.2	Low	72.7	Confident	75 Å²	75	86.3 Å²	86.3	49%	0.487	47%	0.473	S	S	.	.			trans	-66.7	147.4	178.2	27.1	-32.8	0	0	0	110.7	N1034 N1038	N1034-P1036 WeakPolarHBondContact O-CD 3.41Å; P1036-N1038 PolarHBondContact O-N 3.17Å
1037	A	58.9	Low	72.2	Confident	102 Å²	102	92.1 Å²	92.1	84%	0.843	50%	0.503	S	S	*	.	S	Bend	trans	-61.9	-4.1	178	0	0	0	0	0	114.6	V1039	A1037-V1039 PolarHBondContact O-N 3.44Å
1038	N	54.9	Low	71.9	Confident	136 Å²	136	91.2 Å²	91.2	73%	0.727	50%	0.498	S	S	*	.			trans	-90.8	104.8	-176.8	-63.9	-24.2	0	0	0	110.7	P1036 L1040	P1036-N1038 PolarHBondContact O-N 3.17Å; N1038-L1040 PolarHBondContact O-N 2.92Å
1039	V	59	Low	71.6	Confident	98 Å²	98	94.5 Å²	94.5	59%	0.594	52%	0.521	S	S	*	.			trans	-73.1	116.9	170.8	-177	0	0	0	0	108.9	I1027 A1037	I1027-V1039 HydrophobicContact CB-CG1 3.73Å; I1027-V1039 HydrophobicContact CD1-CG1 4.37Å; I1027-V1039 HydrophobicContact CG2-CG1 3.88Å; A1037-V1039 PolarHBondContact O-N 3.44Å
1040	L	59.1	Low	71	Confident	86 Å²	86	96 Å²	96	45%	0.45	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.8	171.3	-71.1	161.4	0	0	0	108.9	I1027 R1028 N1038	I1027-L1040 CarbonylContact C-O 3.52Å; I1027-L1040 WeakPolarHBondContact CA-O 3.16Å; R1028-L1040 HydrophobicContact CB-CB 3.85Å; R1028-L1040 PolarHBondContact N-O 2.88Å; R1028-L1040 VanDerWaalsContact NH1-CD1 3.29Å; N1038-L1040 PolarHBondContact O-N 2.92Å
1041	S	76.8	Confident	69.5	Low	86 Å²	86	98.3 Å²	98.3	60%	0.601	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.6	141.2	175.1	67.2	0	0	0	0	111.5	R1026	R1026-S1041 CarbonylContact O-C 3.55Å; R1026-S1041 WeakPolarHBondContact O-CA 3.11Å
1042	E	77.5	Confident	68.3	Low	64 Å²	64	93.1 Å²	93.1	30%	0.299	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.4	141.8	173.3	-173.5	-176	163.1	0	0	109.9	W1009 W1012 K1025 R1026	W1009-E1042 HydrophobicContact CH2-CB 3.9Å; W1009-E1042 HydrophobicContact CZ3-CB 3.74Å; W1012-E1042 HydrophobicContact CH2-CG 3.94Å; K1025-E1042 CarbonylContact C-O 3.58Å; K1025-E1042 VanDerWaalsContact CA-O 3.25Å; K1025-E1042 WeakPolarHBondContact CA-O 3.39Å; R1026-E1042 HydrophobicContact CG-CB 3.95Å; R1026-E1042 IonicContact CZ-OE1 2.57Å; R1026-E1042 IonicContact CZ-OE2 3Å; R1026-E1042 PolarHBondContact N-O 2.78Å; R1026-E1042 IonicContact NE-OE1 3.9Å; R1026-E1042 IonicContact NE-OE2 2.67Å; R1026-E1042 PolarHBondContact NE-OE2 2.92Å; R1026-E1042 IonicContact NH2-OE1 2.88Å; R1026-E1042 PolarHBondContact NH2-OE1 3.32Å; R1026-E1042 IonicContact NH2-OE2 3.31Å; R1026-E1042 PolarHBondContact NH2-OE2 3.31Å; R1026-E1042 PolarHBondContact O-N 2.8Å
1043	S	84	Confident	67.4	Low	70 Å²	70	94.4 Å²	94.4	49%	0.49	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.7	140.7	177.5	-58.7	0	0	0	0	110.6	R1024	R1024-S1043 CarbonylContact O-C 3.47Å; R1024-S1043 WeakPolarHBondContact O-CA 3.5Å
1044	Q	81.8	Confident	65.8	Low	83 Å²	83	96.5 Å²	96.5	39%	0.388	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.2	142.1	178.3	-172.6	-178.2	13	0	0	110.6	W1012 R1024	W1012-Q1044 HydrophobicContact CE3-CB 4.38Å; W1012-Q1044 HydrophobicContact CH2-CB 3.43Å; W1012-Q1044 VanDerWaalsContact CH2-CB 3.43Å; W1012-Q1044 HydrophobicContact CH2-CG 4.46Å; W1012-Q1044 HydrophobicContact CZ2-CB 4.13Å; W1012-Q1044 VanDerWaalsContact CZ2-OE1 3.27Å; W1012-Q1044 HydrophobicContact CZ3-CB 3.57Å; R1024-Q1044 HydrophobicContact CG-CB 4.14Å; R1024-Q1044 WeakPolarHBondContact CG-O 3.46Å; R1024-Q1044 VanDerWaalsContact CZ-OE1 3.31Å; R1024-Q1044 PolarHBondContact N-O 3.32Å; R1024-Q1044 VanDerWaalsContact NE-OE1 3.1Å; R1024-Q1044 PolarHBondContact O-N 3.44Å
1045	Y	80.1	Confident	64.6	Low	189 Å²	189	94.4 Å²	94.4	74%	0.741	59%	0.587	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.3	142	170.8	-66.2	-74.5	0	0	0	111.3	G1022	G1022-Y1045 WeakPolarHBondContact O-CA 3.03Å
1046	C	84.4	Confident	63.1	Low	20 Å²	20	107.9 Å²	107.9	14%	0.135	63%	0.632	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.5	152.4	175.3	45.5	0	0	0	0	109.4	C1015 G1022 R1024	C1015-C1046 WeakPolarHBondContact CA-SG 3.45Å; C1015-C1046 HydrophobicContact CB-CB 3.89Å; C1015-C1046 WeakPolarHBondContact CB-SG 3.37Å; C1015-C1046 WeakPolarHBondContact SG-CB 3.39Å; C1015-C1046 CovalentContact SG-SG 2.01Å; C1015-C1046 PolarHBondContact SG-SG 2.03Å; G1022-C1046 PolarHBondContact N-O 3.02Å; G1022-C1046 PolarHBondContact O-N 2.82Å; G1022-C1046 PolarHBondContact O-SG 2.94Å; G1022-C1046 VanDerWaalsContact O-SG 3.37Å; R1024-C1046 HydrophobicContact CG-CB 4.43Å
1047	Q	77.2	Confident	63	Low	181 Å²	181	109.6 Å²	109.6	85%	0.846	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.1	133.6	179.9	-68.6	-154.9	-22.7	0	0	110.9
1048	L	75.2	Confident	63.3	Low	49 Å²	49	109.9 Å²	109.9	26%	0.257	63%	0.629	S	S	.	*			trans	-107.5	167.5	168.6	-66.8	169.1	0	0	0	108.7	C1015 G1017 G1020	C1015-L1048 HydrophobicContact CB-CD2 4.08Å; G1017-L1048 VanDerWaalsContact CA-CD1 3.42Å; G1017-L1048 VanDerWaalsContact O-CD1 3.25Å; G1017-L1048 WeakPolarHBondContact O-CD1 2.95Å; G1020-L1048 PolarHBondContact O-N 3.22Å
1049	L	75.4	Confident	63.7	Low	148 Å²	148	108.5 Å²	108.5	78%	0.775	62%	0.623	S	S	*	*			trans	-57.1	146.8	175.7	-71.6	165.1	0	0	0	111.2	G1020	G1020-L1049 PolarHBondContact N-O 2.98Å
1050	P	64.2	Low	64	Low	107 Å²	107	109.1 Å²	109.1	70%	0.695	63%	0.625	S	S	*	*			trans	-55.3	140	-179.9	-22.8	31.4	0	0	0	113	G1052	P1050-G1052 VanDerWaalsContact C-N 3.32Å; P1050-G1052 PolarHBondContact O-N 3.23Å
1051	C	46.3	Very low	64.3	Low	89 Å²	89	110.6 Å²	110.6	60%	0.601	64%	0.636	S	S	*	*	S	Bend	trans	-72.3	84.1	171.2	-55	0	0	0	0	109.6	C1019	C1019-C1051 HydrophobicContact CB-CB 3.85Å; C1019-C1051 WeakPolarHBondContact CB-SG 3.37Å; C1019-C1051 VanDerWaalsContact SG-CA 3.6Å; C1019-C1051 WeakPolarHBondContact SG-CB 3.36Å; C1019-C1051 CovalentContact SG-SG 2.02Å; C1019-C1051 PolarHBondContact SG-SG 3.23Å
1052	G	47.9	Very low	63.5	Low	76 Å²	76	112.2 Å²	112.2	78%	0.784	64%	0.638	S	S	*	*			trans	151.2	77	178.5	0	0	0	0	0	113.5	P1050	P1050-G1052 VanDerWaalsContact C-N 3.32Å; P1050-G1052 PolarHBondContact O-N 3.23Å
1053	G	50.2	Low	62.5	Low	63 Å²	63	115.6 Å²	115.6	65%	0.649	66%	0.662	S	S	*	*			trans	-150.4	142.5	166.2	0	0	0	0	0	109.5	G1055	G1053-G1055 PolarHBondContact O-N 3.49Å
1054	P	35.5	Very low	60.8	Low	145 Å²	145	119.2 Å²	119.2	94%	0.942	68%	0.676	S	S	*	*	S	Bend	trans	-77.9	112.2	176.8	30.8	-28.5	0	0	0	108.7
1055	G	40.5	Very low	59.1	Low	71 Å²	71	122.2 Å²	122.2	73%	0.732	70%	0.699	S	S	*	*			trans	158.4	105.4	171.1	0	0	0	0	0	115.9	G1053	G1053-G1055 PolarHBondContact O-N 3.49Å
1056	R	31.9	Very low	57.2	Low	328 Å²	328	116.1 Å²	116.1	100%	1.238	70%	0.696	S	S	*	*			trans	67.9	0	165.9	-75.8	-172.7	177.8	-173.3	-0.3	119.6

Retrieved 1,056 of 1,056 residues in 313.2 ms (Link to these results)

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